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 2e1q_1_A 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 FARDGXXXXX XXXXXXXXXX XXXXXXXXXS 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 EDKCGKLDPT FASATLLFQK DATA SEQUENCE DPPADVQLFQ 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 VTRSTVVSTA 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 KFTTLCVTGV PENCKPWSVR V 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 0.000 177.499 177.584 -0.142 0.000 1.274 3 A CA 0.000 51.916 52.037 -0.202 0.000 0.836 3 A CB 0.000 18.861 19.000 -0.232 0.000 0.831 4 D N -1.256 119.017 120.400 -0.211 0.000 4.210 4 D HA -0.155 4.485 4.640 -0.000 0.000 0.189 4 D C 0.148 176.603 176.300 0.259 0.000 0.996 4 D CA 2.373 56.383 54.000 0.016 0.000 2.266 4 D CB -0.977 39.847 40.800 0.040 0.000 1.151 4 D HN 0.722 nan 8.370 nan 0.000 0.424 5 K N 0.502 121.034 120.400 0.220 0.000 2.383 5 K HA 0.340 4.660 4.320 -0.000 0.000 0.286 5 K C -0.496 176.361 176.600 0.429 0.000 1.051 5 K CA -0.403 56.052 56.287 0.279 0.000 0.974 5 K CB 0.837 33.449 32.500 0.187 0.000 0.968 5 K HN 0.232 nan 8.250 nan 0.000 0.475 6 L N 5.153 126.595 121.223 0.365 0.000 2.281 6 L HA 0.257 4.597 4.340 -0.000 0.000 0.285 6 L C -1.079 175.976 176.870 0.307 0.000 1.074 6 L CA -0.172 54.877 54.840 0.347 0.000 0.817 6 L CB 1.058 43.062 42.059 -0.090 0.000 1.168 6 L HN 0.309 nan 8.230 nan 0.000 0.434 7 V N 7.116 127.260 119.914 0.383 0.000 2.588 7 V HA 0.674 4.794 4.120 -0.000 0.000 0.304 7 V C -0.369 175.837 176.094 0.188 0.000 1.042 7 V CA -0.423 61.948 62.300 0.118 0.000 0.877 7 V CB 1.219 33.121 31.823 0.133 0.000 0.996 7 V HN 0.767 nan 8.190 nan 0.000 0.425 8 F N 2.533 122.437 119.950 -0.078 0.000 3.090 8 F HA 0.870 5.397 4.527 -0.000 0.000 0.324 8 F C -1.933 173.835 175.800 -0.054 0.000 1.189 8 F CA -1.610 56.426 58.000 0.061 0.000 0.907 8 F CB 1.145 40.169 39.000 0.040 0.000 1.445 8 F HN 0.241 nan 8.300 nan 0.000 0.500 9 F N 0.513 120.550 119.950 0.144 0.000 2.577 9 F HA 0.774 5.301 4.527 -0.000 0.000 0.318 9 F C -0.733 175.130 175.800 0.105 0.000 1.065 9 F CA -1.327 56.670 58.000 -0.003 0.000 0.929 9 F CB 2.388 41.363 39.000 -0.043 0.000 1.237 9 F HN 0.377 nan 8.300 nan 0.000 0.468 10 V N 2.806 122.820 119.914 0.165 0.000 2.488 10 V HA 0.293 4.413 4.120 -0.000 0.000 0.293 10 V C -0.773 175.383 176.094 0.104 0.000 1.027 10 V CA -1.334 61.056 62.300 0.150 0.000 0.862 10 V CB 1.321 33.214 31.823 0.116 0.000 1.008 10 V HN 0.817 nan 8.190 nan 0.000 0.428 11 N N 4.134 122.894 118.700 0.100 0.000 2.725 11 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 11 N C 1.254 176.809 175.510 0.076 0.000 1.031 11 N CA 1.640 54.726 53.050 0.061 0.000 0.720 11 N CB -1.102 37.400 38.487 0.025 0.000 0.930 11 N HN 1.543 nan 8.380 nan 0.000 0.543 12 G N -1.161 107.713 108.800 0.123 0.000 2.304 12 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.252 12 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.252 12 G C 0.214 175.269 174.900 0.258 0.000 1.014 12 G CA 0.686 45.870 45.100 0.140 0.000 0.619 12 G HN 0.588 nan 8.290 nan 0.000 0.525 13 R N 0.999 121.584 120.500 0.142 0.000 2.340 13 R HA 0.466 4.806 4.340 -0.000 0.000 0.300 13 R C 0.508 176.675 176.300 -0.222 0.000 1.069 13 R CA -0.393 55.715 56.100 0.014 0.000 0.984 13 R CB 1.012 31.288 30.300 -0.040 0.000 1.003 13 R HN 0.280 nan 8.270 nan 0.000 0.459 14 K N 2.448 122.545 120.400 -0.505 0.000 2.298 14 K HA 0.173 4.493 4.320 -0.000 0.000 0.280 14 K C -0.902 175.284 176.600 -0.690 0.000 1.032 14 K CA -0.227 55.368 56.287 -1.153 0.000 0.958 14 K CB 0.826 32.758 32.500 -0.946 0.000 0.978 14 K HN 0.264 nan 8.250 nan 0.000 0.472 15 V N 4.847 124.280 119.914 -0.802 0.000 2.487 15 V HA 0.265 4.385 4.120 -0.000 0.000 0.298 15 V C -0.713 175.067 176.094 -0.523 0.000 1.028 15 V CA -0.915 61.005 62.300 -0.633 0.000 0.860 15 V CB 1.814 33.080 31.823 -0.929 0.000 0.991 15 V HN 0.526 nan 8.190 nan 0.000 0.427 16 V N 3.842 123.588 119.914 -0.280 0.000 2.284 16 V HA 0.389 4.509 4.120 -0.000 0.000 0.274 16 V C -0.185 175.877 176.094 -0.053 0.000 1.023 16 V CA -0.578 61.639 62.300 -0.140 0.000 0.808 16 V CB 1.382 33.156 31.823 -0.082 0.000 1.035 16 V HN 0.893 nan 8.190 nan 0.000 0.445 17 E N 3.717 123.901 120.200 -0.027 0.000 2.081 17 E HA 0.319 4.669 4.350 -0.000 0.000 0.281 17 E C 0.813 177.453 176.600 0.067 0.000 0.986 17 E CA -0.092 56.328 56.400 0.034 0.000 0.796 17 E CB 1.139 30.835 29.700 -0.008 0.000 1.085 17 E HN 0.503 nan 8.360 nan 0.000 0.398 18 K N 2.962 123.406 120.400 0.074 0.000 2.296 18 K HA 0.113 4.433 4.320 -0.000 0.000 0.200 18 K C -0.045 176.620 176.600 0.109 0.000 1.048 18 K CA 0.469 56.812 56.287 0.093 0.000 0.966 18 K CB 0.328 32.870 32.500 0.069 0.000 0.754 18 K HN 0.323 nan 8.250 nan 0.000 0.466 19 N N 0.865 119.620 118.700 0.092 0.000 2.733 19 N HA 0.161 4.901 4.740 -0.000 0.000 0.271 19 N C -1.352 174.196 175.510 0.065 0.000 1.720 19 N CA -0.119 52.988 53.050 0.096 0.000 0.803 19 N CB 1.518 40.054 38.487 0.081 0.000 1.208 19 N HN 0.033 nan 8.380 nan 0.000 0.498 20 A N 0.565 123.396 122.820 0.018 0.000 2.477 20 A HA 0.087 4.407 4.320 -0.000 0.000 0.246 20 A C 0.256 177.788 177.584 -0.086 0.000 1.078 20 A CA 0.202 52.158 52.037 -0.136 0.000 0.770 20 A CB 0.453 19.164 19.000 -0.482 0.000 1.011 20 A HN 0.317 nan 8.150 nan 0.000 0.494 21 D N 2.818 123.170 120.400 -0.081 0.000 2.233 21 D HA 0.340 4.980 4.640 -0.000 0.000 0.240 21 D C -1.886 174.359 176.300 -0.093 0.000 1.074 21 D CA -1.708 52.276 54.000 -0.026 0.000 0.838 21 D CB 1.728 42.536 40.800 0.013 0.000 1.124 21 D HN 0.137 nan 8.370 nan 0.000 0.475 22 P HA -0.065 nan 4.420 nan 0.000 0.221 22 P C 0.405 177.709 177.300 0.008 0.000 1.145 22 P CA 0.972 64.059 63.100 -0.021 0.000 0.795 22 P CB 0.347 32.203 31.700 0.261 0.000 0.775 23 E N -1.784 118.436 120.200 0.033 0.000 2.479 23 E HA 0.041 4.390 4.350 -0.000 0.000 0.193 23 E C 0.009 176.611 176.600 0.004 0.000 1.049 23 E CA 0.241 56.668 56.400 0.044 0.000 0.870 23 E CB -0.150 29.587 29.700 0.062 0.000 0.944 23 E HN 0.166 nan 8.360 nan 0.000 0.492 24 T N 2.258 116.789 114.554 -0.038 0.000 2.761 24 T HA 0.099 4.449 4.350 -0.000 0.000 0.296 24 T C 0.391 175.059 174.700 -0.054 0.000 0.934 24 T CA -0.259 61.825 62.100 -0.027 0.000 1.091 24 T CB 0.944 69.806 68.868 -0.010 0.000 0.896 24 T HN 0.154 nan 8.240 nan 0.000 0.515 25 T N 1.587 116.136 114.554 -0.008 0.000 2.816 25 T HA 0.313 4.663 4.350 -0.000 0.000 0.282 25 T C 1.393 176.095 174.700 0.004 0.000 0.993 25 T CA -0.966 61.126 62.100 -0.014 0.000 0.994 25 T CB 0.659 69.541 68.868 0.023 0.000 1.025 25 T HN 0.242 nan 8.240 nan 0.000 0.529 26 L N 1.130 122.340 121.223 -0.021 0.000 2.027 26 L HA 0.110 4.450 4.340 -0.000 0.000 0.206 26 L C 2.251 179.171 176.870 0.082 0.000 1.074 26 L CA 1.562 56.406 54.840 0.006 0.000 0.745 26 L CB -1.493 40.541 42.059 -0.042 0.000 0.898 26 L HN 0.772 nan 8.230 nan 0.000 0.433 27 L N 0.060 121.317 121.223 0.057 0.000 2.079 27 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 27 L C 2.426 179.334 176.870 0.064 0.000 1.081 27 L CA 2.129 57.005 54.840 0.059 0.000 0.752 27 L CB -1.015 41.078 42.059 0.056 0.000 0.896 27 L HN 0.320 nan 8.230 nan 0.000 0.433 28 A N -1.858 121.004 122.820 0.070 0.000 1.929 28 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 28 A C 2.230 179.861 177.584 0.077 0.000 1.176 28 A CA 1.509 53.582 52.037 0.060 0.000 0.628 28 A CB -1.000 18.030 19.000 0.051 0.000 0.816 28 A HN 0.572 nan 8.150 nan 0.000 0.444 29 Y N 0.392 120.693 120.300 0.001 0.000 2.220 29 Y HA -0.083 4.467 4.550 -0.000 0.000 0.291 29 Y C 2.044 177.961 175.900 0.029 0.000 1.129 29 Y CA 1.613 59.725 58.100 0.021 0.000 1.161 29 Y CB -0.192 38.303 38.460 0.059 0.000 0.997 29 Y HN 0.212 nan 8.280 nan 0.000 0.522 30 L N -0.484 120.832 121.223 0.155 0.000 1.994 30 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 30 L C 2.548 179.410 176.870 -0.012 0.000 1.071 30 L CA 1.809 56.694 54.840 0.076 0.000 0.745 30 L CB -0.530 41.581 42.059 0.086 0.000 0.892 30 L HN 0.118 nan 8.230 nan 0.000 0.431 31 R N -0.454 120.043 120.500 -0.006 0.000 2.073 31 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 31 R C 2.232 178.500 176.300 -0.053 0.000 1.120 31 R CA 1.037 57.124 56.100 -0.021 0.000 0.967 31 R CB -0.160 30.142 30.300 0.002 0.000 0.862 31 R HN 0.222 nan 8.270 nan 0.000 0.436 32 R N -0.170 120.288 120.500 -0.069 0.000 2.334 32 R HA 0.042 4.381 4.340 -0.000 0.000 0.216 32 R C 1.363 177.561 176.300 -0.170 0.000 0.905 32 R CA 0.487 56.530 56.100 -0.095 0.000 1.064 32 R CB 0.424 30.686 30.300 -0.064 0.000 1.046 32 R HN -0.115 nan 8.270 nan 0.000 0.508 33 K N -0.814 119.420 120.400 -0.276 0.000 2.485 33 K HA 0.217 4.537 4.320 -0.000 0.000 0.200 33 K C 1.124 177.519 176.600 -0.343 0.000 1.352 33 K CA 0.441 56.474 56.287 -0.422 0.000 0.953 33 K CB 0.445 32.373 32.500 -0.953 0.000 1.387 33 K HN -0.021 nan 8.250 nan 0.000 0.512 34 L N -0.359 120.691 121.223 -0.288 0.000 2.477 34 L HA 0.295 4.635 4.340 -0.000 0.000 0.220 34 L C 0.796 177.604 176.870 -0.103 0.000 1.106 34 L CA 0.568 55.311 54.840 -0.161 0.000 0.851 34 L CB 0.109 42.120 42.059 -0.079 0.000 0.994 34 L HN 0.513 nan 8.230 nan 0.000 0.462 35 G N 1.136 109.877 108.800 -0.098 0.000 2.147 35 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 35 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 35 G C 0.119 174.991 174.900 -0.047 0.000 1.005 35 G CA -0.220 44.837 45.100 -0.071 0.000 0.713 35 G HN 0.237 nan 8.290 nan 0.000 0.515 36 L N 1.999 123.200 121.223 -0.036 0.000 2.328 36 L HA 0.345 4.685 4.340 -0.000 0.000 0.280 36 L C 1.729 178.589 176.870 -0.016 0.000 1.111 36 L CA 0.108 54.936 54.840 -0.020 0.000 0.909 36 L CB 1.072 43.126 42.059 -0.008 0.000 1.277 36 L HN 0.316 nan 8.230 nan 0.000 0.433 37 S N -0.201 115.491 115.700 -0.012 0.000 2.562 37 S HA -0.042 4.428 4.470 -0.000 0.000 0.221 37 S C 1.908 176.501 174.600 -0.012 0.000 0.975 37 S CA 0.326 58.526 58.200 -0.000 0.000 0.918 37 S CB 0.117 63.330 63.200 0.022 0.000 0.772 37 S HN 0.712 nan 8.310 nan 0.000 0.531 38 G N 1.980 110.768 108.800 -0.020 0.000 2.469 38 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.219 38 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.219 38 G C 0.617 175.464 174.900 -0.088 0.000 1.150 38 G CA 0.993 46.068 45.100 -0.040 0.000 0.763 38 G HN 0.538 nan 8.290 nan 0.000 0.561 39 T N 2.678 117.190 114.554 -0.070 0.000 2.779 39 T HA 0.399 4.749 4.350 -0.000 0.000 0.296 39 T C 0.031 174.660 174.700 -0.118 0.000 0.938 39 T CA -0.210 61.842 62.100 -0.081 0.000 1.119 39 T CB 1.328 70.178 68.868 -0.030 0.000 0.891 39 T HN 0.020 nan 8.240 nan 0.000 0.526 40 K N 2.180 122.448 120.400 -0.221 0.000 2.106 40 K HA 0.499 4.819 4.320 -0.000 0.000 0.246 40 K C -0.420 176.136 176.600 -0.073 0.000 0.987 40 K CA -1.143 54.967 56.287 -0.296 0.000 0.904 40 K CB 1.553 33.453 32.500 -1.000 0.000 1.071 40 K HN 0.414 nan 8.250 nan 0.000 0.453 41 L N 0.501 121.774 121.223 0.083 0.000 2.265 41 L HA 0.443 4.783 4.340 -0.000 0.000 0.289 41 L C 0.666 177.711 176.870 0.291 0.000 1.033 41 L CA 0.491 55.431 54.840 0.167 0.000 0.814 41 L CB 1.142 43.293 42.059 0.154 0.000 1.203 41 L HN 0.802 nan 8.230 nan 0.000 0.423 42 G N 2.260 111.218 108.800 0.263 0.000 2.759 42 G HA2 0.116 4.076 3.960 -0.000 0.000 0.208 42 G HA3 0.116 4.076 3.960 -0.000 0.000 0.208 42 G C 0.718 175.764 174.900 0.244 0.000 1.076 42 G CA 0.696 45.980 45.100 0.308 0.000 0.789 42 G HN 0.914 nan 8.290 nan 0.000 0.546 43 C N -3.611 115.838 119.300 0.247 0.000 5.104 43 C HA 0.500 4.959 4.460 -0.000 0.000 0.453 43 C C 1.936 177.116 174.990 0.317 0.000 1.444 43 C CA 0.463 59.642 59.018 0.269 0.000 2.266 43 C CB -0.006 27.924 27.740 0.316 0.000 3.033 43 C HN 1.444 nan 8.230 nan 0.000 0.539 44 G N 1.983 110.946 108.800 0.271 0.000 2.233 44 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.270 44 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.270 44 G C 0.421 175.566 174.900 0.408 0.000 1.011 44 G CA 1.291 46.557 45.100 0.277 0.000 0.762 44 G HN 0.961 nan 8.290 nan 0.000 0.511 45 E N -0.981 119.428 120.200 0.349 0.000 2.601 45 E HA 0.396 4.746 4.350 -0.000 0.000 0.219 45 E C 1.807 178.529 176.600 0.203 0.000 0.964 45 E CA 0.622 57.195 56.400 0.288 0.000 1.050 45 E CB -0.218 29.565 29.700 0.138 0.000 1.068 45 E HN 1.320 nan 8.360 nan 0.000 0.496 46 G N 0.463 109.385 108.800 0.204 0.000 2.162 46 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 46 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 46 G C 0.699 175.696 174.900 0.161 0.000 0.976 46 G CA 0.238 45.442 45.100 0.173 0.000 0.655 46 G HN 0.464 nan 8.290 nan 0.000 0.533 47 G N -1.006 107.897 108.800 0.173 0.000 3.159 47 G HA2 0.332 4.292 3.960 -0.000 0.000 0.232 47 G HA3 0.332 4.292 3.960 -0.000 0.000 0.232 47 G C 1.415 176.426 174.900 0.185 0.000 1.116 47 G CA 1.453 46.649 45.100 0.160 0.000 0.767 47 G HN 1.478 nan 8.290 nan 0.000 0.547 48 C N -2.715 116.718 119.300 0.222 0.000 3.364 48 C HA 0.559 5.019 4.460 -0.000 0.000 0.340 48 C C 2.180 177.305 174.990 0.226 0.000 1.336 48 C CA 0.652 59.820 59.018 0.251 0.000 1.778 48 C CB -0.060 27.890 27.740 0.349 0.000 2.398 48 C HN 1.025 nan 8.230 nan 0.000 0.667 49 G N 1.242 110.157 108.800 0.192 0.000 2.175 49 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.265 49 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.265 49 G C 1.252 176.232 174.900 0.133 0.000 0.979 49 G CA 0.838 46.037 45.100 0.166 0.000 0.663 49 G HN 1.567 nan 8.290 nan 0.000 0.533 50 A N -0.349 122.549 122.820 0.131 0.000 2.121 50 A HA 0.148 4.468 4.320 -0.000 0.000 0.218 50 A C 2.457 180.035 177.584 -0.010 0.000 1.154 50 A CA 2.295 54.359 52.037 0.046 0.000 0.679 50 A CB -0.772 18.263 19.000 0.059 0.000 0.795 50 A HN 1.800 nan 8.150 nan 0.000 0.458 51 C N -2.248 117.078 119.300 0.044 0.000 2.780 51 C HA 0.348 4.808 4.460 -0.000 0.000 0.287 51 C C 0.828 175.839 174.990 0.036 0.000 1.288 51 C CA -0.417 58.618 59.018 0.029 0.000 1.713 51 C CB -2.018 25.759 27.740 0.061 0.000 1.955 51 C HN 0.309 nan 8.230 nan 0.000 0.613 52 T N 2.929 117.512 114.554 0.049 0.000 2.908 52 T HA 0.391 4.741 4.350 -0.000 0.000 0.301 52 T C 0.335 175.049 174.700 0.024 0.000 1.019 52 T CA 1.060 63.192 62.100 0.053 0.000 1.152 52 T CB 0.531 69.448 68.868 0.082 0.000 0.966 52 T HN 0.969 nan 8.240 nan 0.000 0.540 53 V N 1.243 121.164 119.914 0.012 0.000 3.167 53 V HA 0.782 4.902 4.120 -0.000 0.000 0.310 53 V C -0.687 175.388 176.094 -0.031 0.000 1.207 53 V CA -1.475 60.819 62.300 -0.011 0.000 1.059 53 V CB 2.378 34.194 31.823 -0.011 0.000 1.079 53 V HN 0.842 nan 8.190 nan 0.000 0.446 54 M N 1.827 121.404 119.600 -0.039 0.000 2.436 54 M HA 0.701 5.181 4.480 -0.000 0.000 0.331 54 M C -1.895 174.322 176.300 -0.139 0.000 1.135 54 M CA -0.710 54.548 55.300 -0.071 0.000 0.987 54 M CB 1.654 34.279 32.600 0.041 0.000 1.687 54 M HN 0.745 nan 8.290 nan 0.000 0.445 55 L N 3.071 124.064 121.223 -0.383 0.000 2.341 55 L HA 0.583 4.923 4.340 -0.000 0.000 0.278 55 L C -0.760 175.915 176.870 -0.325 0.000 1.005 55 L CA -0.563 54.021 54.840 -0.426 0.000 0.818 55 L CB 2.238 43.838 42.059 -0.765 0.000 1.259 55 L HN 0.676 nan 8.230 nan 0.000 0.418 56 S N 2.486 118.203 115.700 0.030 0.000 2.532 56 S HA 0.688 5.158 4.470 -0.000 0.000 0.299 56 S C -0.971 173.774 174.600 0.241 0.000 1.105 56 S CA -0.845 57.439 58.200 0.141 0.000 1.018 56 S CB 1.991 65.406 63.200 0.358 0.000 1.021 56 S HN 0.646 nan 8.310 nan 0.000 0.483 57 K N 0.805 121.260 120.400 0.093 0.000 2.536 57 K HA 0.477 4.797 4.320 -0.000 0.000 0.269 57 K C -1.794 174.780 176.600 -0.044 0.000 0.965 57 K CA -1.014 55.383 56.287 0.184 0.000 0.860 57 K CB 1.063 33.716 32.500 0.256 0.000 1.423 57 K HN 0.467 nan 8.250 nan 0.000 0.438 58 Y N 2.050 122.340 120.300 -0.017 0.000 2.452 58 Y HA 0.187 4.737 4.550 -0.000 0.000 0.348 58 Y C -0.661 175.202 175.900 -0.062 0.000 0.985 58 Y CA -0.604 57.431 58.100 -0.108 0.000 1.214 58 Y CB 0.769 39.244 38.460 0.025 0.000 1.136 58 Y HN 0.751 nan 8.280 nan 0.000 0.523 59 D N 5.756 125.771 120.400 -0.642 0.000 2.359 59 D HA 0.067 4.707 4.640 -0.000 0.000 0.250 59 D C 0.982 176.793 176.300 -0.816 0.000 1.264 59 D CA 0.045 53.725 54.000 -0.534 0.000 0.911 59 D CB 0.647 41.235 40.800 -0.354 0.000 1.056 59 D HN 0.555 nan 8.370 nan 0.000 0.499 60 R N 3.250 123.416 120.500 -0.557 0.000 2.285 60 R HA -0.053 4.287 4.340 -0.000 0.000 0.213 60 R C 1.276 177.444 176.300 -0.220 0.000 1.068 60 R CA 0.270 56.158 56.100 -0.353 0.000 1.004 60 R CB -0.251 29.992 30.300 -0.096 0.000 0.873 60 R HN 0.477 nan 8.270 nan 0.000 0.467 61 L N 0.062 121.154 121.223 -0.219 0.000 2.121 61 L HA -0.077 4.263 4.340 -0.000 0.000 0.200 61 L C 2.306 179.092 176.870 -0.139 0.000 1.077 61 L CA 1.616 56.373 54.840 -0.138 0.000 0.766 61 L CB -0.388 41.605 42.059 -0.111 0.000 0.931 61 L HN 0.089 nan 8.230 nan 0.000 0.452 62 Q N -0.048 119.646 119.800 -0.177 0.000 2.451 62 Q HA -0.109 4.231 4.340 -0.000 0.000 0.206 62 Q C 0.532 176.443 176.000 -0.149 0.000 0.947 62 Q CA 1.030 56.746 55.803 -0.143 0.000 0.937 62 Q CB -0.302 28.353 28.738 -0.139 0.000 1.025 62 Q HN 0.535 nan 8.270 nan 0.000 0.511 63 N N -0.201 118.359 118.700 -0.234 0.000 2.758 63 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 63 N C -1.341 174.130 175.510 -0.065 0.000 1.076 63 N CA 0.259 53.224 53.050 -0.142 0.000 0.696 63 N CB -0.254 38.237 38.487 0.007 0.000 0.979 63 N HN 0.131 nan 8.380 nan 0.000 0.550 64 K N 0.516 120.785 120.400 -0.218 0.000 2.522 64 K HA 0.476 4.796 4.320 -0.000 0.000 0.275 64 K C -0.552 175.926 176.600 -0.203 0.000 1.006 64 K CA -0.637 55.578 56.287 -0.118 0.000 0.890 64 K CB 1.093 33.521 32.500 -0.119 0.000 1.475 64 K HN 0.109 nan 8.250 nan 0.000 0.441 65 I N 2.015 122.450 120.570 -0.224 0.000 2.325 65 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 65 I C 0.394 176.201 176.117 -0.517 0.000 1.019 65 I CA -0.659 60.349 61.300 -0.486 0.000 1.302 65 I CB 0.882 38.516 38.000 -0.610 0.000 1.401 65 I HN 0.143 nan 8.210 nan 0.000 0.485 66 V N 7.645 127.248 119.914 -0.518 0.000 2.769 66 V HA 0.533 4.653 4.120 -0.000 0.000 0.312 66 V C -0.720 175.099 176.094 -0.459 0.000 1.058 66 V CA -0.397 61.681 62.300 -0.370 0.000 0.952 66 V CB 1.942 33.674 31.823 -0.152 0.000 1.019 66 V HN 0.691 nan 8.190 nan 0.000 0.445 67 H N 6.378 125.525 119.070 0.127 0.000 2.667 67 H HA 0.620 5.176 4.556 -0.000 0.000 0.353 67 H C -1.054 174.435 175.328 0.268 0.000 1.072 67 H CA -0.157 55.969 56.048 0.131 0.000 1.214 67 H CB 1.671 31.436 29.762 0.006 0.000 1.600 67 H HN 0.692 nan 8.280 nan 0.000 0.527 68 F N -0.690 119.316 119.950 0.093 0.000 2.693 68 F HA 0.517 5.044 4.527 -0.000 0.000 0.309 68 F C -0.637 175.198 175.800 0.058 0.000 1.129 68 F CA -1.240 56.786 58.000 0.044 0.000 0.948 68 F CB 0.788 39.795 39.000 0.011 0.000 1.315 68 F HN 0.343 nan 8.300 nan 0.000 0.447 69 S N 1.145 116.909 115.700 0.107 0.000 2.646 69 S HA 0.982 5.452 4.470 -0.000 0.000 0.276 69 S C -0.527 174.122 174.600 0.082 0.000 1.222 69 S CA -0.009 58.207 58.200 0.027 0.000 1.014 69 S CB 1.499 64.737 63.200 0.063 0.000 0.991 69 S HN 1.865 nan 8.310 nan 0.000 0.533 70 A N 1.376 124.219 122.820 0.038 0.000 2.612 70 A HA 0.632 4.952 4.320 -0.000 0.000 0.293 70 A C -1.322 176.305 177.584 0.072 0.000 1.075 70 A CA -1.081 51.008 52.037 0.085 0.000 0.680 70 A CB 0.918 19.963 19.000 0.076 0.000 1.279 70 A HN 0.772 nan 8.150 nan 0.000 0.411 71 N N 1.405 120.162 118.700 0.096 0.000 2.406 71 N HA 0.346 5.086 4.740 -0.000 0.000 0.251 71 N C 0.998 176.554 175.510 0.077 0.000 1.069 71 N CA 0.532 53.639 53.050 0.095 0.000 0.947 71 N CB 1.695 40.255 38.487 0.121 0.000 1.111 71 N HN 0.779 nan 8.380 nan 0.000 0.497 72 A N 1.500 124.355 122.820 0.058 0.000 2.178 72 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 72 A C 2.104 179.721 177.584 0.055 0.000 1.157 72 A CA 0.828 52.891 52.037 0.043 0.000 0.689 72 A CB -0.515 18.506 19.000 0.035 0.000 0.787 72 A HN 0.863 nan 8.150 nan 0.000 0.465 73 C N -2.621 116.728 119.300 0.081 0.000 2.539 73 C HA 0.420 4.880 4.460 -0.000 0.000 0.268 73 C C 1.786 176.838 174.990 0.103 0.000 1.395 73 C CA 0.294 59.368 59.018 0.095 0.000 1.757 73 C CB -1.322 26.493 27.740 0.126 0.000 1.851 73 C HN 0.446 nan 8.230 nan 0.000 0.545 74 L N 0.525 121.810 121.223 0.103 0.000 2.781 74 L HA 0.367 4.707 4.340 -0.000 0.000 0.245 74 L C 1.438 178.361 176.870 0.088 0.000 1.118 74 L CA 0.202 55.111 54.840 0.114 0.000 0.918 74 L CB -0.139 42.003 42.059 0.139 0.000 1.246 74 L HN 0.231 nan 8.230 nan 0.000 0.526 75 A N 1.681 124.533 122.820 0.053 0.000 2.310 75 A HA 0.500 4.820 4.320 -0.000 0.000 0.300 75 A C -2.436 175.112 177.584 -0.060 0.000 1.269 75 A CA -1.119 50.925 52.037 0.013 0.000 0.909 75 A CB -0.313 18.683 19.000 -0.007 0.000 1.144 75 A HN -0.104 nan 8.150 nan 0.000 0.540 76 P HA 0.171 nan 4.420 nan 0.000 0.282 76 P C 1.143 178.201 177.300 -0.403 0.000 1.262 76 P CA -0.426 62.534 63.100 -0.234 0.000 0.773 76 P CB 0.682 32.217 31.700 -0.276 0.000 0.879 77 I N -0.067 120.229 120.570 -0.456 0.000 2.423 77 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 77 I C 1.262 176.932 176.117 -0.745 0.000 1.151 77 I CA 1.431 62.342 61.300 -0.648 0.000 1.421 77 I CB -1.026 36.562 38.000 -0.686 0.000 1.079 77 I HN 0.182 nan 8.210 nan 0.000 0.431 78 C N 1.593 120.352 119.300 -0.901 0.000 2.422 78 C HA -0.060 4.400 4.460 -0.000 0.000 0.286 78 C C 2.896 177.334 174.990 -0.921 0.000 1.412 78 C CA 1.388 59.661 59.018 -1.242 0.000 1.786 78 C CB -1.562 25.092 27.740 -1.810 0.000 1.835 78 C HN 0.802 nan 8.230 nan 0.000 0.533 79 S N -0.928 114.394 115.700 -0.630 0.000 2.557 79 S HA 0.278 4.748 4.470 -0.000 0.000 0.223 79 S C 0.762 175.344 174.600 -0.031 0.000 0.969 79 S CA 0.112 58.235 58.200 -0.129 0.000 0.927 79 S CB -0.351 62.895 63.200 0.077 0.000 0.806 79 S HN 0.625 nan 8.310 nan 0.000 0.489 80 L N 1.391 122.504 121.223 -0.183 0.000 2.818 80 L HA 0.390 4.730 4.340 -0.000 0.000 0.243 80 L C 0.459 177.356 176.870 0.044 0.000 1.185 80 L CA -0.563 54.194 54.840 -0.137 0.000 0.988 80 L CB -0.511 41.247 42.059 -0.503 0.000 1.292 80 L HN 0.340 nan 8.230 nan 0.000 0.519 81 H N 0.950 120.108 119.070 0.146 0.000 3.034 81 H HA -0.028 4.528 4.556 -0.000 0.000 0.324 81 H C 0.370 175.987 175.328 0.483 0.000 1.015 81 H CA 0.868 57.117 56.048 0.334 0.000 1.429 81 H CB -0.078 29.945 29.762 0.435 0.000 1.429 81 H HN 0.201 nan 8.280 nan 0.000 0.585 82 H N 1.408 120.443 119.070 -0.057 0.000 2.826 82 H HA -0.147 4.409 4.556 -0.000 0.000 0.306 82 H C -0.931 174.532 175.328 0.225 0.000 1.235 82 H CA 0.196 56.290 56.048 0.077 0.000 1.150 82 H CB -1.315 28.483 29.762 0.059 0.000 1.409 82 H HN 0.184 nan 8.280 nan 0.000 0.420 83 V N -0.059 120.084 119.914 0.382 0.000 2.823 83 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 83 V C -0.004 176.297 176.094 0.344 0.000 1.072 83 V CA -0.312 62.183 62.300 0.325 0.000 0.937 83 V CB 2.069 34.035 31.823 0.239 0.000 1.013 83 V HN 0.394 nan 8.190 nan 0.000 0.430 84 A N 3.223 126.222 122.820 0.298 0.000 2.271 84 A HA 0.787 5.107 4.320 -0.000 0.000 0.317 84 A C -0.688 177.024 177.584 0.214 0.000 1.245 84 A CA -0.453 51.747 52.037 0.271 0.000 0.857 84 A CB 0.989 20.097 19.000 0.180 0.000 1.175 84 A HN 0.657 nan 8.150 nan 0.000 0.512 85 V N 2.500 122.549 119.914 0.225 0.000 2.481 85 V HA 0.499 4.619 4.120 -0.000 0.000 0.286 85 V C 0.287 176.446 176.094 0.107 0.000 1.042 85 V CA -0.131 62.252 62.300 0.137 0.000 0.928 85 V CB 1.656 33.575 31.823 0.160 0.000 0.986 85 V HN 0.887 nan 8.190 nan 0.000 0.462 86 T N 3.429 118.014 114.554 0.052 0.000 2.815 86 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 86 T C 0.169 174.847 174.700 -0.036 0.000 1.000 86 T CA -0.467 61.639 62.100 0.010 0.000 0.958 86 T CB 1.191 70.062 68.868 0.005 0.000 0.944 86 T HN 0.926 nan 8.240 nan 0.000 0.442 87 T N -0.256 114.273 114.554 -0.043 0.000 2.912 87 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 87 T C 1.659 176.290 174.700 -0.114 0.000 0.989 87 T CA -0.664 61.401 62.100 -0.057 0.000 0.995 87 T CB 1.244 70.097 68.868 -0.025 0.000 1.077 87 T HN 0.206 nan 8.240 nan 0.000 0.531 88 V N 1.380 121.232 119.914 -0.104 0.000 2.324 88 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 88 V C 2.543 178.568 176.094 -0.115 0.000 1.060 88 V CA 2.535 64.760 62.300 -0.126 0.000 1.042 88 V CB -1.073 30.703 31.823 -0.077 0.000 0.650 88 V HN 0.985 nan 8.190 nan 0.000 0.450 89 E N 0.127 120.283 120.200 -0.074 0.000 2.472 89 E HA -0.065 4.285 4.350 -0.000 0.000 0.200 89 E C 1.995 178.557 176.600 -0.063 0.000 1.046 89 E CA 1.157 57.525 56.400 -0.054 0.000 0.871 89 E CB -0.628 29.053 29.700 -0.032 0.000 0.806 89 E HN 0.667 nan 8.360 nan 0.000 0.533 90 G N 2.125 110.868 108.800 -0.094 0.000 2.777 90 G HA2 0.025 3.985 3.960 -0.000 0.000 0.211 90 G HA3 0.025 3.985 3.960 -0.000 0.000 0.211 90 G C 1.625 176.444 174.900 -0.135 0.000 1.149 90 G CA 0.379 45.424 45.100 -0.091 0.000 0.785 90 G HN 0.437 nan 8.290 nan 0.000 0.536 91 I N -3.352 117.083 120.570 -0.226 0.000 4.057 91 I HA 0.579 4.749 4.170 -0.000 0.000 0.334 91 I C 0.694 176.773 176.117 -0.064 0.000 1.308 91 I CA 0.179 61.317 61.300 -0.271 0.000 1.125 91 I CB 0.709 38.246 38.000 -0.773 0.000 1.034 91 I HN 0.070 nan 8.210 nan 0.000 0.401 92 G N 0.853 109.630 108.800 -0.038 0.000 2.316 92 G HA2 0.453 4.413 3.960 -0.000 0.000 0.296 92 G HA3 0.453 4.413 3.960 -0.000 0.000 0.296 92 G C -1.262 173.646 174.900 0.013 0.000 1.399 92 G CA 0.022 45.140 45.100 0.029 0.000 0.833 92 G HN 0.665 nan 8.290 nan 0.000 0.565 93 S N -2.493 113.224 115.700 0.028 0.000 2.683 93 S HA 0.534 5.004 4.470 -0.000 0.000 0.278 93 S C 0.849 175.465 174.600 0.028 0.000 1.059 93 S CA 0.939 59.152 58.200 0.022 0.000 0.847 93 S CB 0.823 64.029 63.200 0.010 0.000 1.078 93 S HN 2.254 nan 8.310 nan 0.000 0.456 94 T N -0.440 114.130 114.554 0.028 0.000 3.007 94 T HA 0.040 4.390 4.350 -0.000 0.000 0.270 94 T C 1.272 175.985 174.700 0.022 0.000 1.107 94 T CA 1.080 63.197 62.100 0.029 0.000 1.118 94 T CB -0.583 68.305 68.868 0.033 0.000 0.889 94 T HN 0.687 nan 8.240 nan 0.000 0.506 95 K N 1.084 121.493 120.400 0.016 0.000 2.148 95 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 95 K C 2.349 178.956 176.600 0.011 0.000 1.050 95 K CA 1.664 57.957 56.287 0.009 0.000 0.942 95 K CB -0.103 32.399 32.500 0.004 0.000 0.724 95 K HN 0.702 nan 8.250 nan 0.000 0.446 96 T N -2.053 112.511 114.554 0.016 0.000 3.330 96 T HA 0.162 4.512 4.350 -0.000 0.000 0.185 96 T C 0.086 174.801 174.700 0.025 0.000 0.874 96 T CA -0.579 61.532 62.100 0.019 0.000 1.268 96 T CB 0.163 69.043 68.868 0.019 0.000 1.866 96 T HN 0.013 nan 8.240 nan 0.000 0.395 97 R N 0.113 120.632 120.500 0.032 0.000 2.548 97 R HA 0.604 4.944 4.340 -0.000 0.000 0.280 97 R C -1.511 174.820 176.300 0.052 0.000 1.061 97 R CA -0.749 55.374 56.100 0.039 0.000 0.915 97 R CB 1.534 31.857 30.300 0.037 0.000 1.210 97 R HN 0.448 nan 8.270 nan 0.000 0.442 98 L N 3.619 124.875 121.223 0.054 0.000 2.439 98 L HA 0.228 4.568 4.340 -0.000 0.000 0.269 98 L C 0.629 177.559 176.870 0.100 0.000 1.179 98 L CA -0.357 54.528 54.840 0.074 0.000 0.828 98 L CB 0.698 42.795 42.059 0.063 0.000 1.106 98 L HN 0.576 nan 8.230 nan 0.000 0.467 99 H N 4.119 123.217 119.070 0.046 0.000 2.562 99 H HA 0.140 4.696 4.556 -0.000 0.000 0.352 99 H C -1.950 173.447 175.328 0.116 0.000 1.125 99 H CA -1.736 54.360 56.048 0.079 0.000 1.379 99 H CB 1.974 31.776 29.762 0.067 0.000 1.464 99 H HN 0.326 nan 8.280 nan 0.000 0.563 100 P HA -0.228 nan 4.420 nan 0.000 0.218 100 P C 1.711 179.231 177.300 0.367 0.000 1.154 100 P CA 1.308 64.456 63.100 0.079 0.000 0.872 100 P CB 0.269 32.018 31.700 0.082 0.000 0.790 101 V N -0.607 119.668 119.914 0.602 0.000 2.287 101 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 101 V C 2.466 178.814 176.094 0.424 0.000 1.053 101 V CA 2.022 64.643 62.300 0.535 0.000 1.027 101 V CB -1.318 30.707 31.823 0.337 0.000 0.646 101 V HN 0.204 nan 8.190 nan 0.000 0.447 102 Q N -0.338 119.638 119.800 0.294 0.000 2.046 102 Q HA -0.242 4.098 4.340 -0.000 0.000 0.200 102 Q C 2.384 178.433 176.000 0.081 0.000 0.975 102 Q CA 1.871 57.772 55.803 0.164 0.000 0.836 102 Q CB -0.296 28.514 28.738 0.121 0.000 0.896 102 Q HN 0.744 nan 8.270 nan 0.000 0.428 103 E N 1.267 121.502 120.200 0.060 0.000 2.049 103 E HA -0.263 4.087 4.350 -0.000 0.000 0.198 103 E C 2.029 178.519 176.600 -0.184 0.000 1.007 103 E CA 1.272 57.654 56.400 -0.030 0.000 0.809 103 E CB 0.065 29.755 29.700 -0.017 0.000 0.749 103 E HN 0.252 nan 8.360 nan 0.000 0.450 104 R N 0.264 120.571 120.500 -0.322 0.000 2.081 104 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 104 R C 2.680 178.684 176.300 -0.492 0.000 1.131 104 R CA 1.415 57.074 56.100 -0.735 0.000 0.960 104 R CB -0.511 29.293 30.300 -0.826 0.000 0.856 104 R HN 0.356 nan 8.270 nan 0.000 0.436 105 I N 0.674 121.084 120.570 -0.266 0.000 2.361 105 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 105 I C 2.136 178.099 176.117 -0.257 0.000 1.133 105 I CA 1.131 62.223 61.300 -0.347 0.000 1.413 105 I CB -0.048 37.834 38.000 -0.197 0.000 1.073 105 I HN 0.173 nan 8.210 nan 0.000 0.424 106 A N 0.770 123.482 122.820 -0.179 0.000 1.854 106 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 106 A C 2.243 179.701 177.584 -0.209 0.000 1.192 106 A CA 1.379 53.334 52.037 -0.137 0.000 0.611 106 A CB -0.449 18.514 19.000 -0.061 0.000 0.832 106 A HN 0.364 nan 8.150 nan 0.000 0.442 107 K N -0.065 120.202 120.400 -0.222 0.000 2.439 107 K HA 0.009 4.329 4.320 -0.000 0.000 0.197 107 K C 1.687 177.979 176.600 -0.513 0.000 1.041 107 K CA 0.962 57.114 56.287 -0.225 0.000 0.970 107 K CB -0.028 32.496 32.500 0.039 0.000 0.773 107 K HN 0.368 nan 8.250 nan 0.000 0.479 108 S N -0.327 114.985 115.700 -0.648 0.000 2.575 108 S HA -0.025 4.445 4.470 -0.000 0.000 0.215 108 S C -0.268 173.998 174.600 -0.556 0.000 0.966 108 S CA -0.171 57.424 58.200 -1.009 0.000 0.911 108 S CB -0.203 62.412 63.200 -0.975 0.000 0.780 108 S HN 0.345 nan 8.310 nan 0.000 0.514 109 H N -1.490 117.480 119.070 -0.167 0.000 2.936 109 H HA -0.144 4.412 4.556 -0.000 0.000 0.276 109 H C 0.870 176.142 175.328 -0.093 0.000 1.216 109 H CA 0.758 56.763 56.048 -0.071 0.000 1.132 109 H CB -1.880 27.875 29.762 -0.012 0.000 1.303 109 H HN 0.461 nan 8.280 nan 0.000 0.370 110 G N -0.062 108.670 108.800 -0.113 0.000 3.314 110 G HA2 0.251 4.211 3.960 -0.000 0.000 0.238 110 G HA3 0.251 4.211 3.960 -0.000 0.000 0.238 110 G C 0.275 175.119 174.900 -0.093 0.000 1.184 110 G CA 0.717 45.745 45.100 -0.121 0.000 0.806 110 G HN 0.323 nan 8.290 nan 0.000 0.536 111 S N -0.743 114.919 115.700 -0.063 0.000 2.775 111 S HA 0.408 4.878 4.470 -0.000 0.000 0.277 111 S C 0.428 174.980 174.600 -0.080 0.000 1.156 111 S CA -0.631 57.531 58.200 -0.063 0.000 1.081 111 S CB 1.328 64.485 63.200 -0.072 0.000 1.054 111 S HN 0.348 nan 8.310 nan 0.000 0.482 112 Q N 1.642 121.412 119.800 -0.051 0.000 2.141 112 Q HA 0.064 4.404 4.340 -0.000 0.000 0.207 112 Q C 2.307 178.252 176.000 -0.092 0.000 0.996 112 Q CA 1.085 56.865 55.803 -0.038 0.000 0.850 112 Q CB -0.484 28.279 28.738 0.042 0.000 0.952 112 Q HN 0.965 nan 8.270 nan 0.000 0.512 113 C N -0.395 118.919 119.300 0.024 0.000 2.448 113 C HA 0.317 4.777 4.460 -0.000 0.000 0.280 113 C C 1.774 176.873 174.990 0.182 0.000 1.398 113 C CA 0.309 59.380 59.018 0.088 0.000 1.774 113 C CB -1.136 26.672 27.740 0.115 0.000 1.888 113 C HN 0.881 nan 8.230 nan 0.000 0.519 114 G N -0.456 108.415 108.800 0.120 0.000 2.184 114 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 114 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 114 G C 0.439 175.439 174.900 0.167 0.000 0.975 114 G CA 0.530 45.717 45.100 0.145 0.000 0.642 114 G HN 0.578 nan 8.290 nan 0.000 0.536 115 F N 1.272 121.195 119.950 -0.045 0.000 2.293 115 F HA -0.012 4.515 4.527 -0.000 0.000 0.300 115 F C 2.740 178.476 175.800 -0.106 0.000 1.086 115 F CA 2.152 59.984 58.000 -0.280 0.000 1.375 115 F CB -0.193 38.615 39.000 -0.320 0.000 1.045 115 F HN 0.620 nan 8.300 nan 0.000 0.516 116 C N -2.038 117.296 119.300 0.057 0.000 2.799 116 C HA 0.158 4.618 4.460 -0.000 0.000 0.267 116 C C 2.398 177.396 174.990 0.013 0.000 1.257 116 C CA 0.549 59.593 59.018 0.043 0.000 1.702 116 C CB -1.453 26.366 27.740 0.131 0.000 1.934 116 C HN 0.336 nan 8.230 nan 0.000 0.594 117 T N 3.112 117.668 114.554 0.002 0.000 2.652 117 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 117 T C -0.322 174.387 174.700 0.015 0.000 1.039 117 T CA 2.555 64.665 62.100 0.016 0.000 1.153 117 T CB -1.490 67.389 68.868 0.018 0.000 0.863 117 T HN 0.413 nan 8.240 nan 0.000 0.428 118 P HA -0.127 nan 4.420 nan 0.000 0.215 118 P C 1.782 179.081 177.300 -0.002 0.000 1.163 118 P CA 1.506 64.586 63.100 -0.033 0.000 0.894 118 P CB -0.558 31.090 31.700 -0.088 0.000 0.791 119 G N -0.124 108.674 108.800 -0.005 0.000 2.446 119 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 119 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 119 G C 1.457 176.421 174.900 0.107 0.000 1.168 119 G CA 0.712 45.841 45.100 0.048 0.000 0.771 119 G HN 0.135 nan 8.290 nan 0.000 0.551 120 I N 0.820 121.452 120.570 0.103 0.000 2.127 120 I HA -0.138 4.032 4.170 -0.000 0.000 0.241 120 I C 3.020 179.264 176.117 0.211 0.000 1.075 120 I CA 0.788 62.145 61.300 0.095 0.000 1.334 120 I CB -1.320 36.694 38.000 0.023 0.000 1.040 120 I HN 0.035 nan 8.210 nan 0.000 0.405 121 V N 0.725 120.749 119.914 0.184 0.000 2.282 121 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 121 V C 2.664 178.838 176.094 0.132 0.000 1.057 121 V CA 1.678 64.091 62.300 0.189 0.000 1.032 121 V CB -0.546 31.345 31.823 0.113 0.000 0.645 121 V HN 0.339 nan 8.190 nan 0.000 0.447 122 M N -0.850 118.804 119.600 0.090 0.000 2.296 122 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 122 M C 2.336 178.716 176.300 0.133 0.000 1.064 122 M CA 1.412 56.758 55.300 0.077 0.000 1.109 122 M CB -1.394 31.223 32.600 0.029 0.000 1.396 122 M HN 0.328 nan 8.290 nan 0.000 0.430 123 S N 0.216 116.031 115.700 0.191 0.000 2.395 123 S HA -0.058 4.411 4.470 -0.000 0.000 0.225 123 S C 1.807 176.465 174.600 0.097 0.000 1.027 123 S CA 0.961 59.278 58.200 0.195 0.000 0.965 123 S CB -0.097 63.326 63.200 0.372 0.000 0.812 123 S HN 0.397 nan 8.310 nan 0.000 0.482 124 M N 0.546 120.263 119.600 0.195 0.000 2.099 124 M HA -0.043 4.437 4.480 -0.000 0.000 0.262 124 M C 1.736 177.885 176.300 -0.251 0.000 1.067 124 M CA 1.525 56.736 55.300 -0.148 0.000 1.124 124 M CB -0.786 31.573 32.600 -0.402 0.000 1.353 124 M HN 0.385 nan 8.290 nan 0.000 0.410 125 Y N 0.296 120.448 120.300 -0.245 0.000 2.165 125 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 125 Y C 2.040 177.796 175.900 -0.241 0.000 1.155 125 Y CA 2.529 60.459 58.100 -0.285 0.000 1.164 125 Y CB -0.783 37.513 38.460 -0.275 0.000 0.978 125 Y HN 0.298 nan 8.280 nan 0.000 0.513 126 T N 1.155 115.647 114.554 -0.103 0.000 2.737 126 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 126 T C 1.775 176.347 174.700 -0.213 0.000 1.038 126 T CA 1.342 63.361 62.100 -0.135 0.000 1.144 126 T CB -0.681 68.184 68.868 -0.006 0.000 0.866 126 T HN 0.333 nan 8.240 nan 0.000 0.434 127 L N 1.496 122.587 121.223 -0.220 0.000 1.971 127 L HA -0.050 4.290 4.340 -0.000 0.000 0.215 127 L C 2.153 178.857 176.870 -0.277 0.000 1.072 127 L CA 1.758 56.454 54.840 -0.241 0.000 0.758 127 L CB -1.036 40.843 42.059 -0.300 0.000 0.889 127 L HN 0.254 nan 8.230 nan 0.000 0.433 128 L N -0.802 120.194 121.223 -0.377 0.000 2.189 128 L HA -0.228 4.112 4.340 -0.000 0.000 0.214 128 L C 2.656 179.316 176.870 -0.349 0.000 1.097 128 L CA 1.102 55.708 54.840 -0.391 0.000 0.764 128 L CB -0.494 41.245 42.059 -0.534 0.000 0.900 128 L HN 0.296 nan 8.230 nan 0.000 0.436 129 R N 0.022 120.278 120.500 -0.408 0.000 2.148 129 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 129 R C 1.820 178.008 176.300 -0.188 0.000 1.088 129 R CA 1.028 56.907 56.100 -0.369 0.000 0.985 129 R CB -0.097 29.909 30.300 -0.489 0.000 0.880 129 R HN 0.411 nan 8.270 nan 0.000 0.451 130 N N -1.192 117.425 118.700 -0.140 0.000 2.463 130 N HA -0.025 4.715 4.740 -0.000 0.000 0.183 130 N C -0.303 175.159 175.510 -0.081 0.000 1.064 130 N CA 0.239 53.247 53.050 -0.069 0.000 0.879 130 N CB 0.463 38.925 38.487 -0.042 0.000 1.148 130 N HN 0.015 nan 8.380 nan 0.000 0.451 131 Q N 1.909 121.641 119.800 -0.112 0.000 2.558 131 Q HA 0.296 4.636 4.340 -0.000 0.000 0.252 131 Q C -2.190 173.744 176.000 -0.111 0.000 1.015 131 Q CA -1.968 53.777 55.803 -0.097 0.000 0.720 131 Q CB 1.656 30.337 28.738 -0.096 0.000 1.215 131 Q HN -0.045 nan 8.270 nan 0.000 0.500 132 P HA -0.182 nan 4.420 nan 0.000 0.217 132 P C -0.279 176.996 177.300 -0.041 0.000 1.148 132 P CA 1.150 64.201 63.100 -0.081 0.000 0.828 132 P CB 0.494 32.163 31.700 -0.052 0.000 0.783 133 E N 0.044 120.231 120.200 -0.021 0.000 3.651 133 E HA 0.238 4.588 4.350 -0.000 0.000 0.220 133 E C -2.369 174.236 176.600 0.008 0.000 1.222 133 E CA -2.541 53.870 56.400 0.018 0.000 1.114 133 E CB 1.032 30.750 29.700 0.030 0.000 1.278 133 E HN 0.162 nan 8.360 nan 0.000 0.412 134 P HA -0.021 nan 4.420 nan 0.000 0.271 134 P C 0.008 177.315 177.300 0.011 0.000 1.244 134 P CA -0.036 63.049 63.100 -0.024 0.000 0.793 134 P CB 0.885 32.543 31.700 -0.070 0.000 0.984 135 T N -2.348 112.205 114.554 -0.001 0.000 2.934 135 T HA 0.317 4.667 4.350 -0.000 0.000 0.283 135 T C 1.717 176.434 174.700 0.027 0.000 1.005 135 T CA -0.794 61.318 62.100 0.020 0.000 1.041 135 T CB 0.415 69.289 68.868 0.009 0.000 1.042 135 T HN 0.267 nan 8.240 nan 0.000 0.505 136 M N 0.334 119.969 119.600 0.058 0.000 2.108 136 M HA -0.165 4.315 4.480 -0.000 0.000 0.257 136 M C 2.441 178.768 176.300 0.045 0.000 1.071 136 M CA 2.247 57.596 55.300 0.080 0.000 1.093 136 M CB -0.631 32.031 32.600 0.104 0.000 1.345 136 M HN 0.953 nan 8.290 nan 0.000 0.403 137 E N 0.777 120.993 120.200 0.027 0.000 2.070 137 E HA -0.243 4.107 4.350 -0.000 0.000 0.197 137 E C 1.693 178.262 176.600 -0.050 0.000 1.004 137 E CA 1.764 58.166 56.400 0.005 0.000 0.805 137 E CB 0.018 29.720 29.700 0.003 0.000 0.744 137 E HN 0.553 nan 8.360 nan 0.000 0.451 138 E N 0.115 120.274 120.200 -0.068 0.000 2.153 138 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 138 E C 2.221 178.699 176.600 -0.204 0.000 0.988 138 E CA 1.079 57.405 56.400 -0.124 0.000 0.811 138 E CB -0.076 29.561 29.700 -0.106 0.000 0.746 138 E HN 0.430 nan 8.360 nan 0.000 0.466 139 I N 1.055 121.522 120.570 -0.172 0.000 2.202 139 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 139 I C 2.652 178.497 176.117 -0.452 0.000 1.091 139 I CA 1.125 62.254 61.300 -0.285 0.000 1.368 139 I CB -0.174 37.800 38.000 -0.043 0.000 1.058 139 I HN 0.127 nan 8.210 nan 0.000 0.410 140 E N 1.054 121.140 120.200 -0.189 0.000 2.150 140 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 140 E C 1.799 178.240 176.600 -0.266 0.000 0.985 140 E CA 1.149 57.457 56.400 -0.152 0.000 0.814 140 E CB 0.014 29.737 29.700 0.039 0.000 0.752 140 E HN 0.324 nan 8.360 nan 0.000 0.466 141 N N -0.033 118.528 118.700 -0.232 0.000 2.381 141 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 141 N C 1.273 176.622 175.510 -0.268 0.000 1.025 141 N CA 1.068 53.994 53.050 -0.206 0.000 0.888 141 N CB -0.029 38.354 38.487 -0.174 0.000 0.965 141 N HN 0.218 nan 8.380 nan 0.000 0.438 142 A N -1.141 121.401 122.820 -0.463 0.000 2.167 142 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 142 A C 0.454 177.806 177.584 -0.385 0.000 1.151 142 A CA 0.483 52.234 52.037 -0.477 0.000 0.735 142 A CB -0.325 18.285 19.000 -0.650 0.000 0.802 142 A HN 0.247 nan 8.150 nan 0.000 0.467 143 F N -0.189 119.597 119.950 -0.273 0.000 2.684 143 F HA 0.253 4.780 4.527 -0.000 0.000 0.298 143 F C 1.797 177.473 175.800 -0.207 0.000 1.120 143 F CA -0.709 57.069 58.000 -0.370 0.000 1.332 143 F CB -0.517 37.805 39.000 -1.131 0.000 0.986 143 F HN 0.258 nan 8.300 nan 0.000 0.524 144 Q N 0.268 120.082 119.800 0.024 0.000 2.124 144 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 144 Q C 2.121 178.198 176.000 0.128 0.000 0.977 144 Q CA 1.374 57.220 55.803 0.071 0.000 0.850 144 Q CB -0.234 28.526 28.738 0.038 0.000 0.901 144 Q HN 0.536 nan 8.270 nan 0.000 0.429 145 G N -0.070 108.811 108.800 0.136 0.000 3.314 145 G HA2 0.054 4.014 3.960 -0.000 0.000 0.238 145 G HA3 0.054 4.014 3.960 -0.000 0.000 0.238 145 G C -0.403 174.618 174.900 0.203 0.000 1.184 145 G CA -0.261 44.933 45.100 0.157 0.000 0.806 145 G HN 0.142 nan 8.290 nan 0.000 0.536 146 N N -0.188 118.670 118.700 0.263 0.000 2.321 146 N HA 0.669 5.409 4.740 -0.000 0.000 0.299 146 N C -0.966 174.803 175.510 0.433 0.000 1.048 146 N CA -0.431 52.821 53.050 0.337 0.000 0.836 146 N CB 2.417 41.127 38.487 0.371 0.000 1.269 146 N HN -0.061 nan 8.380 nan 0.000 0.486 147 L N 0.986 122.427 121.223 0.363 0.000 2.365 147 L HA 0.678 5.018 4.340 -0.000 0.000 0.273 147 L C -0.938 176.109 176.870 0.295 0.000 1.000 147 L CA -0.953 54.102 54.840 0.357 0.000 0.819 147 L CB 1.883 44.065 42.059 0.206 0.000 1.284 147 L HN 0.523 nan 8.230 nan 0.000 0.418 148 C N 2.321 121.733 119.300 0.186 0.000 2.547 148 C HA 0.573 5.033 4.460 -0.000 0.000 0.313 148 C C 0.868 175.715 174.990 -0.238 0.000 1.191 148 C CA -0.462 58.494 59.018 -0.104 0.000 1.474 148 C CB 1.808 29.316 27.740 -0.385 0.000 2.081 148 C HN 0.995 nan 8.230 nan 0.000 0.476 149 R N 2.432 122.906 120.500 -0.044 0.000 2.307 149 R HA 0.297 4.637 4.340 -0.000 0.000 0.200 149 R C 1.271 177.552 176.300 -0.032 0.000 0.893 149 R CA 1.358 57.425 56.100 -0.055 0.000 1.042 149 R CB -0.681 29.663 30.300 0.073 0.000 1.059 149 R HN 0.873 nan 8.270 nan 0.000 0.530 150 C N -1.205 118.131 119.300 0.060 0.000 2.611 150 C HA 0.112 4.572 4.460 -0.000 0.000 0.283 150 C C 2.526 177.513 174.990 -0.004 0.000 1.340 150 C CA 0.836 59.935 59.018 0.136 0.000 1.716 150 C CB -0.484 27.358 27.740 0.170 0.000 2.134 150 C HN 0.632 nan 8.230 nan 0.000 0.526 151 T N -0.853 113.636 114.554 -0.108 0.000 2.803 151 T HA 0.119 4.469 4.350 -0.000 0.000 0.269 151 T C 1.655 176.285 174.700 -0.117 0.000 1.052 151 T CA 2.208 64.237 62.100 -0.118 0.000 1.136 151 T CB -0.748 68.026 68.868 -0.157 0.000 0.864 151 T HN 1.314 nan 8.240 nan 0.000 0.467 152 G N -0.044 108.597 108.800 -0.265 0.000 2.157 152 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 152 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 152 G C 0.619 175.515 174.900 -0.006 0.000 0.979 152 G CA 0.412 45.462 45.100 -0.083 0.000 0.650 152 G HN 0.652 nan 8.290 nan 0.000 0.529 153 Y N -2.033 118.195 120.300 -0.120 0.000 2.884 153 Y HA -0.386 4.164 4.550 -0.000 0.000 0.483 153 Y C 2.286 178.184 175.900 -0.004 0.000 1.209 153 Y CA 2.723 60.674 58.100 -0.248 0.000 2.681 153 Y CB -1.706 36.490 38.460 -0.440 0.000 0.894 153 Y HN 0.515 nan 8.280 nan 0.000 0.529 154 R N 1.346 122.011 120.500 0.275 0.000 2.162 154 R HA -0.226 4.114 4.340 -0.000 0.000 0.245 154 R C -0.877 175.548 176.300 0.208 0.000 1.129 154 R CA 2.969 59.238 56.100 0.282 0.000 0.940 154 R CB -1.511 28.980 30.300 0.318 0.000 0.875 154 R HN 0.434 nan 8.270 nan 0.000 0.437 155 P HA -0.162 nan 4.420 nan 0.000 0.216 155 P C 1.736 179.031 177.300 -0.007 0.000 1.150 155 P CA 1.531 64.685 63.100 0.091 0.000 0.837 155 P CB -0.271 31.464 31.700 0.057 0.000 0.786 156 I N -0.662 119.901 120.570 -0.012 0.000 2.179 156 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 156 I C 2.732 178.843 176.117 -0.010 0.000 1.088 156 I CA 1.370 62.595 61.300 -0.124 0.000 1.357 156 I CB -0.672 37.356 38.000 0.047 0.000 1.051 156 I HN -0.131 nan 8.210 nan 0.000 0.409 157 L N -0.059 121.338 121.223 0.290 0.000 2.056 157 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 157 L C 2.677 179.727 176.870 0.301 0.000 1.078 157 L CA 1.247 56.327 54.840 0.400 0.000 0.749 157 L CB -0.570 41.753 42.059 0.440 0.000 0.901 157 L HN 0.299 nan 8.230 nan 0.000 0.433 158 Q N 0.281 120.230 119.800 0.249 0.000 2.061 158 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 158 Q C 2.143 178.317 176.000 0.290 0.000 0.984 158 Q CA 2.087 58.062 55.803 0.287 0.000 0.846 158 Q CB -0.317 28.624 28.738 0.338 0.000 0.902 158 Q HN 0.448 nan 8.270 nan 0.000 0.421 159 G N -0.659 108.195 108.800 0.090 0.000 2.418 159 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 159 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 159 G C 0.846 175.810 174.900 0.108 0.000 1.158 159 G CA 0.612 45.678 45.100 -0.056 0.000 0.771 159 G HN 0.370 nan 8.290 nan 0.000 0.545 160 F N 0.621 120.680 119.950 0.182 0.000 2.661 160 F HA 0.243 4.770 4.527 -0.000 0.000 0.298 160 F C 2.422 178.369 175.800 0.245 0.000 1.137 160 F CA -0.241 57.927 58.000 0.280 0.000 1.454 160 F CB -0.379 38.884 39.000 0.438 0.000 1.103 160 F HN 0.082 nan 8.300 nan 0.000 0.577 161 R N 0.598 121.326 120.500 0.381 0.000 2.159 161 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 161 R C 2.132 178.562 176.300 0.217 0.000 1.131 161 R CA 1.908 58.178 56.100 0.282 0.000 0.982 161 R CB -0.392 30.055 30.300 0.244 0.000 0.868 161 R HN 0.379 nan 8.270 nan 0.000 0.453 162 T N -2.269 112.387 114.554 0.170 0.000 2.929 162 T HA -0.116 4.234 4.350 -0.000 0.000 0.271 162 T C 1.382 176.077 174.700 -0.009 0.000 1.085 162 T CA 0.936 63.073 62.100 0.062 0.000 1.125 162 T CB -0.269 68.629 68.868 0.051 0.000 0.874 162 T HN 0.138 nan 8.240 nan 0.000 0.494 163 F N 2.176 122.234 119.950 0.180 0.000 2.569 163 F HA 0.552 5.079 4.527 -0.000 0.000 0.295 163 F C 1.802 177.644 175.800 0.069 0.000 1.115 163 F CA -0.980 57.080 58.000 0.100 0.000 1.450 163 F CB -0.714 38.314 39.000 0.047 0.000 1.107 163 F HN 0.232 nan 8.300 nan 0.000 0.563 164 A N 0.970 123.938 122.820 0.248 0.000 2.462 164 A HA 0.245 4.565 4.320 -0.000 0.000 0.243 164 A C 1.541 179.195 177.584 0.117 0.000 1.076 164 A CA -0.352 51.781 52.037 0.159 0.000 0.773 164 A CB 0.156 19.244 19.000 0.147 0.000 1.010 164 A HN 0.534 nan 8.150 nan 0.000 0.493 165 R N 0.381 120.931 120.500 0.084 0.000 2.297 165 R HA 0.062 4.402 4.340 -0.000 0.000 0.197 165 R C -0.410 175.924 176.300 0.058 0.000 0.943 165 R CA 0.890 57.029 56.100 0.064 0.000 1.038 165 R CB 0.099 30.426 30.300 0.045 0.000 0.957 165 R HN 0.522 nan 8.270 nan 0.000 0.484 166 D N 1.506 121.945 120.400 0.065 0.000 2.328 166 D HA 0.121 4.761 4.640 -0.000 0.000 0.226 166 D C 0.734 177.076 176.300 0.070 0.000 1.066 166 D CA 0.608 54.645 54.000 0.061 0.000 0.861 166 D CB 0.138 40.975 40.800 0.062 0.000 0.912 166 D HN 0.424 nan 8.370 nan 0.000 0.521 193 P HA 0.540 nan 4.420 nan 0.000 0.277 193 P C -0.530 176.613 177.300 -0.262 0.000 1.271 193 P CA -0.498 62.378 63.100 -0.373 0.000 0.795 193 P CB 0.741 32.254 31.700 -0.312 0.000 1.101 194 S N -0.840 114.866 115.700 0.010 0.000 2.651 194 S HA 0.335 4.805 4.470 -0.000 0.000 0.291 194 S C 1.335 176.108 174.600 0.289 0.000 1.141 194 S CA -0.940 57.335 58.200 0.124 0.000 1.027 194 S CB 0.901 64.037 63.200 -0.108 0.000 1.043 194 S HN 0.363 nan 8.310 nan 0.000 0.530 195 L N -0.028 121.310 121.223 0.193 0.000 2.201 195 L HA 0.166 4.506 4.340 -0.000 0.000 0.212 195 L C 0.165 177.304 176.870 0.449 0.000 1.105 195 L CA 0.930 55.900 54.840 0.217 0.000 0.775 195 L CB -0.612 41.579 42.059 0.220 0.000 0.913 195 L HN 0.783 nan 8.230 nan 0.000 0.440 196 F N -2.774 117.285 119.950 0.181 0.000 2.741 196 F HA 0.506 5.033 4.527 -0.000 0.000 0.313 196 F C -1.087 174.705 175.800 -0.013 0.000 1.153 196 F CA -1.715 56.348 58.000 0.104 0.000 0.931 196 F CB 1.077 40.137 39.000 0.099 0.000 1.335 196 F HN -0.367 nan 8.300 nan 0.000 0.460 197 K N 1.546 121.998 120.400 0.087 0.000 2.473 197 K HA 0.343 4.663 4.320 -0.000 0.000 0.246 197 K C -2.576 173.774 176.600 -0.417 0.000 1.011 197 K CA -1.547 54.655 56.287 -0.141 0.000 0.984 197 K CB 1.672 34.118 32.500 -0.090 0.000 1.250 197 K HN 0.268 nan 8.250 nan 0.000 0.454 198 P HA -0.186 nan 4.420 nan 0.000 0.220 198 P C 0.220 177.146 177.300 -0.625 0.000 1.148 198 P CA 1.115 63.681 63.100 -0.891 0.000 0.803 198 P CB 0.315 31.901 31.700 -0.190 0.000 0.782 199 E N 0.028 120.033 120.200 -0.324 0.000 2.268 199 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 199 E C 1.526 178.040 176.600 -0.143 0.000 0.995 199 E CA 0.902 57.201 56.400 -0.168 0.000 0.836 199 E CB -0.877 28.759 29.700 -0.107 0.000 0.763 199 E HN 0.454 nan 8.360 nan 0.000 0.491 200 E N 0.126 120.195 120.200 -0.219 0.000 2.478 200 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 200 E C -0.283 176.347 176.600 0.049 0.000 1.045 200 E CA -0.157 56.193 56.400 -0.083 0.000 0.868 200 E CB 0.061 29.726 29.700 -0.058 0.000 0.885 200 E HN 0.193 nan 8.360 nan 0.000 0.505 201 F N 2.491 122.458 119.950 0.028 0.000 2.572 201 F HA -0.030 4.497 4.527 -0.000 0.000 0.370 201 F C 1.563 177.368 175.800 0.008 0.000 1.103 201 F CA -0.624 57.382 58.000 0.010 0.000 1.286 201 F CB -0.009 38.978 39.000 -0.022 0.000 1.105 201 F HN -0.227 nan 8.300 nan 0.000 0.583 202 T N 2.523 117.202 114.554 0.210 0.000 2.919 202 T HA 0.356 4.705 4.350 -0.000 0.000 0.302 202 T C -2.429 172.334 174.700 0.105 0.000 1.031 202 T CA -1.525 60.646 62.100 0.117 0.000 1.127 202 T CB 0.604 69.518 68.868 0.076 0.000 0.952 202 T HN 0.235 nan 8.240 nan 0.000 0.540 203 P HA 0.249 nan 4.420 nan 0.000 0.269 203 P C -0.781 176.561 177.300 0.070 0.000 1.209 203 P CA -0.699 62.449 63.100 0.080 0.000 0.776 203 P CB 0.315 32.053 31.700 0.062 0.000 0.876 204 L N 2.985 124.269 121.223 0.102 0.000 2.265 204 L HA 0.390 4.730 4.340 -0.000 0.000 0.288 204 L C -0.433 176.470 176.870 0.055 0.000 1.058 204 L CA 0.013 54.902 54.840 0.082 0.000 0.809 204 L CB 0.342 42.515 42.059 0.190 0.000 1.179 204 L HN 0.164 nan 8.230 nan 0.000 0.429 205 D N 7.110 127.526 120.400 0.026 0.000 2.472 205 D HA 0.358 4.998 4.640 -0.000 0.000 0.234 205 D C -1.834 174.483 176.300 0.029 0.000 1.088 205 D CA -2.049 51.968 54.000 0.028 0.000 0.882 205 D CB 1.583 42.398 40.800 0.026 0.000 1.037 205 D HN 0.413 nan 8.370 nan 0.000 0.520 206 P HA -0.105 nan 4.420 nan 0.000 0.231 206 P C 0.933 178.241 177.300 0.013 0.000 1.158 206 P CA 0.780 63.885 63.100 0.008 0.000 0.763 206 P CB -0.037 31.649 31.700 -0.023 0.000 0.805 207 T N -4.889 109.678 114.554 0.022 0.000 3.100 207 T HA 0.059 4.409 4.350 -0.000 0.000 0.253 207 T C 1.423 176.145 174.700 0.036 0.000 1.118 207 T CA 0.329 62.443 62.100 0.024 0.000 1.058 207 T CB -0.338 68.543 68.868 0.022 0.000 0.953 207 T HN -0.057 nan 8.240 nan 0.000 0.515 208 Q N 0.818 120.646 119.800 0.047 0.000 2.222 208 Q HA 0.387 4.727 4.340 -0.000 0.000 0.206 208 Q C -0.090 175.965 176.000 0.092 0.000 0.877 208 Q CA 0.084 55.923 55.803 0.060 0.000 0.958 208 Q CB 0.265 29.035 28.738 0.054 0.000 1.075 208 Q HN 0.536 nan 8.270 nan 0.000 0.483 209 E N 1.380 121.636 120.200 0.093 0.000 2.349 209 E HA 0.257 4.607 4.350 -0.000 0.000 0.265 209 E C -2.248 174.410 176.600 0.096 0.000 1.064 209 E CA -2.043 54.432 56.400 0.126 0.000 0.886 209 E CB 0.423 30.173 29.700 0.083 0.000 1.036 209 E HN -0.056 nan 8.360 nan 0.000 0.413 210 P HA 0.019 nan 4.420 nan 0.000 0.265 210 P C -0.192 177.159 177.300 0.086 0.000 1.193 210 P CA 0.175 63.322 63.100 0.079 0.000 0.765 210 P CB 0.336 32.078 31.700 0.069 0.000 0.823 211 I N 3.174 123.786 120.570 0.069 0.000 2.836 211 I HA 0.069 4.239 4.170 -0.000 0.000 0.285 211 I C 0.092 176.280 176.117 0.117 0.000 1.174 211 I CA -0.402 60.949 61.300 0.085 0.000 1.405 211 I CB 0.269 38.292 38.000 0.039 0.000 1.385 211 I HN 0.163 nan 8.210 nan 0.000 0.594 212 F N 8.711 128.666 119.950 0.008 0.000 2.467 212 F HA 0.413 4.940 4.527 -0.000 0.000 0.362 212 F C -2.027 173.707 175.800 -0.109 0.000 1.090 212 F CA -2.822 55.171 58.000 -0.011 0.000 1.202 212 F CB -0.052 38.962 39.000 0.023 0.000 1.113 212 F HN 0.280 nan 8.300 nan 0.000 0.541 213 P HA -0.050 nan 4.420 nan 0.000 0.253 213 P C -2.209 174.635 177.300 -0.760 0.000 1.159 213 P CA -0.337 62.255 63.100 -0.846 0.000 0.779 213 P CB 0.179 31.036 31.700 -1.406 0.000 0.745 214 P HA -0.169 nan 4.420 nan 0.000 0.220 214 P C 1.394 178.531 177.300 -0.272 0.000 1.148 214 P CA 1.129 64.080 63.100 -0.248 0.000 0.803 214 P CB 0.122 31.741 31.700 -0.135 0.000 0.782 215 E N -0.388 119.622 120.200 -0.316 0.000 2.077 215 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 215 E C 1.851 178.270 176.600 -0.302 0.000 0.989 215 E CA 0.805 57.079 56.400 -0.211 0.000 0.800 215 E CB -0.524 29.171 29.700 -0.009 0.000 0.746 215 E HN 0.163 nan 8.360 nan 0.000 0.452 216 L N 0.298 121.176 121.223 -0.574 0.000 2.131 216 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 216 L C 2.330 179.013 176.870 -0.312 0.000 1.092 216 L CA 0.321 54.855 54.840 -0.510 0.000 0.759 216 L CB -0.170 41.453 42.059 -0.727 0.000 0.903 216 L HN 0.248 nan 8.230 nan 0.000 0.435 217 L N -0.401 120.654 121.223 -0.280 0.000 2.201 217 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 217 L C 2.554 179.292 176.870 -0.219 0.000 1.105 217 L CA 1.593 56.313 54.840 -0.200 0.000 0.775 217 L CB -0.556 41.437 42.059 -0.111 0.000 0.913 217 L HN 0.121 nan 8.230 nan 0.000 0.440 218 R N -1.429 118.963 120.500 -0.180 0.000 2.200 218 R HA 0.076 4.416 4.340 -0.000 0.000 0.208 218 R C 1.832 178.064 176.300 -0.113 0.000 1.033 218 R CA 0.509 56.532 56.100 -0.129 0.000 1.000 218 R CB -0.083 30.161 30.300 -0.094 0.000 0.906 218 R HN 0.306 nan 8.270 nan 0.000 0.462 219 L N 1.279 122.413 121.223 -0.148 0.000 2.554 219 L HA -0.033 4.307 4.340 -0.000 0.000 0.226 219 L C 1.865 178.691 176.870 -0.072 0.000 1.137 219 L CA 0.626 55.396 54.840 -0.116 0.000 0.863 219 L CB -0.133 41.760 42.059 -0.277 0.000 0.985 219 L HN 0.110 nan 8.230 nan 0.000 0.451 220 K N -1.167 119.159 120.400 -0.122 0.000 2.365 220 K HA -0.091 4.229 4.320 -0.000 0.000 0.199 220 K C 1.097 177.679 176.600 -0.030 0.000 1.045 220 K CA 1.121 57.357 56.287 -0.085 0.000 0.962 220 K CB -0.064 32.218 32.500 -0.365 0.000 0.759 220 K HN 0.135 nan 8.250 nan 0.000 0.469 221 D N 1.099 121.475 120.400 -0.041 0.000 2.305 221 D HA -0.056 4.584 4.640 -0.000 0.000 0.206 221 D C 0.063 176.372 176.300 0.015 0.000 0.974 221 D CA 1.012 55.004 54.000 -0.014 0.000 0.871 221 D CB 0.102 40.885 40.800 -0.028 0.000 0.947 221 D HN 0.449 nan 8.370 nan 0.000 0.516 222 T N 1.012 115.584 114.554 0.031 0.000 2.752 222 T HA 0.337 4.687 4.350 -0.000 0.000 0.295 222 T C -2.459 172.276 174.700 0.058 0.000 0.923 222 T CA -1.608 60.524 62.100 0.054 0.000 1.112 222 T CB 1.065 69.986 68.868 0.087 0.000 0.884 222 T HN -0.253 nan 8.240 nan 0.000 0.525 223 P HA 0.116 nan 4.420 nan 0.000 0.267 223 P C 0.238 177.557 177.300 0.032 0.000 1.201 223 P CA -0.296 62.824 63.100 0.033 0.000 0.775 223 P CB 0.457 32.175 31.700 0.031 0.000 0.854 224 R N 2.161 122.662 120.500 0.002 0.000 2.490 224 R HA 0.322 4.662 4.340 -0.000 0.000 0.280 224 R C 0.412 176.754 176.300 0.070 0.000 1.077 224 R CA -0.181 55.908 56.100 -0.017 0.000 1.065 224 R CB 0.546 30.776 30.300 -0.117 0.000 1.003 224 R HN 0.534 nan 8.270 nan 0.000 0.470 225 K N 0.769 121.243 120.400 0.123 0.000 2.502 225 K HA 0.179 4.499 4.320 -0.000 0.000 0.257 225 K C -1.030 175.671 176.600 0.169 0.000 0.938 225 K CA -1.011 55.348 56.287 0.120 0.000 0.819 225 K CB 1.792 34.333 32.500 0.069 0.000 1.333 225 K HN 0.377 nan 8.250 nan 0.000 0.434 226 Q N 2.421 122.286 119.800 0.108 0.000 2.304 226 Q HA 0.074 4.414 4.340 -0.000 0.000 0.301 226 Q C -1.087 174.887 176.000 -0.043 0.000 1.063 226 Q CA 0.155 55.986 55.803 0.047 0.000 0.947 226 Q CB 0.444 29.186 28.738 0.006 0.000 1.201 226 Q HN 0.578 nan 8.270 nan 0.000 0.389 227 L N 3.908 125.042 121.223 -0.147 0.000 2.354 227 L HA 0.636 4.976 4.340 -0.000 0.000 0.269 227 L C -0.298 176.290 176.870 -0.470 0.000 1.005 227 L CA -0.859 53.766 54.840 -0.360 0.000 0.819 227 L CB 2.029 43.788 42.059 -0.501 0.000 1.311 227 L HN 0.639 nan 8.230 nan 0.000 0.423 228 R N 1.941 122.091 120.500 -0.584 0.000 2.513 228 R HA 0.621 4.960 4.340 -0.000 0.000 0.301 228 R C -1.942 174.046 176.300 -0.519 0.000 0.968 228 R CA -0.456 55.401 56.100 -0.406 0.000 0.872 228 R CB 1.361 31.553 30.300 -0.179 0.000 1.177 228 R HN 0.363 nan 8.270 nan 0.000 0.444 229 F N 1.757 121.765 119.950 0.096 0.000 2.532 229 F HA 0.414 4.941 4.527 -0.000 0.000 0.321 229 F C -0.138 175.711 175.800 0.080 0.000 1.089 229 F CA -0.773 57.263 58.000 0.060 0.000 0.926 229 F CB 2.255 41.256 39.000 0.002 0.000 1.168 229 F HN 0.370 nan 8.300 nan 0.000 0.459 230 E N 1.302 121.645 120.200 0.239 0.000 2.220 230 E HA 0.504 4.854 4.350 -0.000 0.000 0.256 230 E C 0.002 176.682 176.600 0.132 0.000 0.881 230 E CA -0.590 55.903 56.400 0.156 0.000 0.766 230 E CB 1.956 31.717 29.700 0.103 0.000 1.187 230 E HN 0.810 nan 8.360 nan 0.000 0.419 231 G N 1.681 110.556 108.800 0.124 0.000 2.583 231 G HA2 0.056 4.016 3.960 -0.000 0.000 0.280 231 G HA3 0.056 4.016 3.960 -0.000 0.000 0.280 231 G C 0.550 175.504 174.900 0.090 0.000 1.376 231 G CA -0.316 44.842 45.100 0.098 0.000 1.043 231 G HN 0.491 nan 8.290 nan 0.000 0.538 232 E N -0.650 119.605 120.200 0.091 0.000 2.150 232 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 232 E C 2.120 178.764 176.600 0.073 0.000 0.985 232 E CA 0.888 57.341 56.400 0.089 0.000 0.814 232 E CB 0.100 29.873 29.700 0.121 0.000 0.752 232 E HN 0.362 nan 8.360 nan 0.000 0.466 233 R N -0.821 119.725 120.500 0.077 0.000 2.568 233 R HA 0.209 4.549 4.340 -0.000 0.000 0.254 233 R C -0.432 175.911 176.300 0.072 0.000 0.925 233 R CA -0.045 56.092 56.100 0.062 0.000 1.025 233 R CB 1.617 31.949 30.300 0.053 0.000 1.428 233 R HN -0.130 nan 8.270 nan 0.000 0.573 234 V N 1.240 121.214 119.914 0.099 0.000 2.680 234 V HA 0.385 4.505 4.120 -0.000 0.000 0.309 234 V C -0.197 175.987 176.094 0.150 0.000 1.052 234 V CA -0.635 61.742 62.300 0.128 0.000 0.908 234 V CB 2.180 34.107 31.823 0.173 0.000 1.001 234 V HN -0.009 nan 8.190 nan 0.000 0.431 235 T N 4.464 119.099 114.554 0.136 0.000 2.771 235 T HA 0.358 4.708 4.350 -0.000 0.000 0.281 235 T C -1.019 173.803 174.700 0.203 0.000 0.982 235 T CA -0.208 61.978 62.100 0.144 0.000 0.978 235 T CB 0.808 69.708 68.868 0.054 0.000 0.930 235 T HN 0.672 nan 8.240 nan 0.000 0.447 236 W N 5.868 127.208 121.300 0.067 0.000 2.475 236 W HA 0.620 5.280 4.660 -0.000 0.000 0.317 236 W C -1.948 174.574 176.519 0.005 0.000 1.046 236 W CA -1.420 55.968 57.345 0.071 0.000 1.215 236 W CB 0.567 30.125 29.460 0.164 0.000 1.335 236 W HN 0.509 nan 8.180 nan 0.000 0.471 237 I N 5.433 125.900 120.570 -0.171 0.000 2.382 237 I HA 0.027 4.197 4.170 -0.000 0.000 0.286 237 I C -0.123 175.838 176.117 -0.261 0.000 1.002 237 I CA -0.710 60.502 61.300 -0.146 0.000 1.135 237 I CB 2.011 39.921 38.000 -0.151 0.000 1.288 237 I HN 0.264 nan 8.210 nan 0.000 0.448 238 Q N 5.836 125.561 119.800 -0.125 0.000 2.566 238 Q HA 0.445 4.785 4.340 -0.000 0.000 0.221 238 Q C -0.234 175.606 176.000 -0.268 0.000 1.195 238 Q CA -0.358 55.287 55.803 -0.264 0.000 0.967 238 Q CB 0.870 29.378 28.738 -0.382 0.000 1.337 238 Q HN 0.708 nan 8.270 nan 0.000 0.553 239 A N 2.343 125.047 122.820 -0.194 0.000 2.524 239 A HA 0.247 4.567 4.320 -0.000 0.000 0.250 239 A C 1.034 178.664 177.584 0.077 0.000 1.078 239 A CA 0.495 52.496 52.037 -0.060 0.000 0.761 239 A CB 0.201 19.163 19.000 -0.063 0.000 1.012 239 A HN 0.910 nan 8.150 nan 0.000 0.500 240 S N 1.429 117.233 115.700 0.174 0.000 2.470 240 S HA 0.122 4.592 4.470 -0.000 0.000 0.222 240 S C 0.863 175.574 174.600 0.185 0.000 1.024 240 S CA 0.803 59.191 58.200 0.314 0.000 0.931 240 S CB -0.375 63.002 63.200 0.295 0.000 0.791 240 S HN 1.325 nan 8.310 nan 0.000 0.513 241 T N -1.304 113.313 114.554 0.105 0.000 2.916 241 T HA 0.638 4.988 4.350 -0.000 0.000 0.292 241 T C 0.510 175.233 174.700 0.038 0.000 1.064 241 T CA -0.774 61.366 62.100 0.066 0.000 1.011 241 T CB 1.432 70.328 68.868 0.047 0.000 1.152 241 T HN -0.011 nan 8.240 nan 0.000 0.510 242 L N 1.092 122.330 121.223 0.025 0.000 2.141 242 L HA 0.194 4.534 4.340 -0.000 0.000 0.209 242 L C 2.507 179.377 176.870 -0.000 0.000 1.094 242 L CA 1.842 56.687 54.840 0.008 0.000 0.763 242 L CB -0.935 41.125 42.059 0.001 0.000 0.908 242 L HN 0.907 nan 8.230 nan 0.000 0.437 243 K N -0.303 120.099 120.400 0.003 0.000 2.002 243 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 243 K C 1.908 178.506 176.600 -0.003 0.000 1.048 243 K CA 1.945 58.231 56.287 -0.002 0.000 0.930 243 K CB -0.161 32.340 32.500 0.002 0.000 0.714 243 K HN 0.492 nan 8.250 nan 0.000 0.438 244 E N 0.633 120.834 120.200 0.003 0.000 2.058 244 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 244 E C 2.060 178.652 176.600 -0.013 0.000 0.997 244 E CA 1.331 57.731 56.400 -0.001 0.000 0.801 244 E CB -0.220 29.484 29.700 0.007 0.000 0.746 244 E HN 0.223 nan 8.360 nan 0.000 0.450 245 L N 1.206 122.419 121.223 -0.017 0.000 2.012 245 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 245 L C 2.068 178.921 176.870 -0.029 0.000 1.073 245 L CA 1.648 56.469 54.840 -0.032 0.000 0.748 245 L CB -0.434 41.605 42.059 -0.033 0.000 0.891 245 L HN 0.110 nan 8.230 nan 0.000 0.431 246 L N -0.719 120.491 121.223 -0.022 0.000 2.056 246 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 246 L C 2.274 179.130 176.870 -0.024 0.000 1.078 246 L CA 1.322 56.148 54.840 -0.023 0.000 0.749 246 L CB -0.940 41.107 42.059 -0.020 0.000 0.901 246 L HN 0.276 nan 8.230 nan 0.000 0.433 247 D N 0.010 120.397 120.400 -0.022 0.000 2.144 247 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 247 D C 2.176 178.458 176.300 -0.030 0.000 0.978 247 D CA 0.799 54.783 54.000 -0.026 0.000 0.833 247 D CB -0.042 40.746 40.800 -0.020 0.000 0.961 247 D HN 0.118 nan 8.370 nan 0.000 0.470 248 L N 0.983 122.198 121.223 -0.013 0.000 2.027 248 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 248 L C 1.824 178.703 176.870 0.016 0.000 1.074 248 L CA 1.585 56.435 54.840 0.016 0.000 0.745 248 L CB -0.381 41.684 42.059 0.010 0.000 0.898 248 L HN -0.118 nan 8.230 nan 0.000 0.433 249 K N 0.029 120.424 120.400 -0.008 0.000 2.283 249 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 249 K C 1.927 178.514 176.600 -0.021 0.000 1.048 249 K CA 1.083 57.364 56.287 -0.009 0.000 0.948 249 K CB -0.174 32.311 32.500 -0.025 0.000 0.742 249 K HN 0.407 nan 8.250 nan 0.000 0.458 250 A N 0.678 123.475 122.820 -0.039 0.000 2.016 250 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 250 A C 1.864 179.396 177.584 -0.088 0.000 1.162 250 A CA 0.833 52.839 52.037 -0.051 0.000 0.662 250 A CB -0.055 18.917 19.000 -0.046 0.000 0.812 250 A HN 0.328 nan 8.150 nan 0.000 0.450 251 Q N -1.356 118.358 119.800 -0.142 0.000 2.391 251 Q HA 0.082 4.422 4.340 -0.000 0.000 0.211 251 Q C -0.262 175.439 176.000 -0.498 0.000 0.908 251 Q CA 0.518 56.134 55.803 -0.312 0.000 0.920 251 Q CB 0.413 28.927 28.738 -0.374 0.000 1.056 251 Q HN 0.675 nan 8.270 nan 0.000 0.523 252 H N -0.944 118.116 119.070 -0.018 0.000 2.511 252 H HA 0.201 4.757 4.556 -0.000 0.000 0.228 252 H C -2.125 173.192 175.328 -0.018 0.000 1.424 252 H CA -1.912 54.127 56.048 -0.015 0.000 1.321 252 H CB 1.027 30.778 29.762 -0.018 0.000 1.720 252 H HN 0.042 nan 8.280 nan 0.000 0.512 253 P HA -0.157 nan 4.420 nan 0.000 0.219 253 P C 0.822 178.145 177.300 0.038 0.000 1.144 253 P CA 1.406 64.524 63.100 0.031 0.000 0.806 253 P CB 0.504 32.214 31.700 0.015 0.000 0.771 254 D N -0.854 119.586 120.400 0.067 0.000 2.194 254 D HA 0.043 4.683 4.640 -0.000 0.000 0.204 254 D C 0.810 177.136 176.300 0.044 0.000 0.964 254 D CA 0.395 54.434 54.000 0.065 0.000 0.846 254 D CB -0.732 40.117 40.800 0.081 0.000 0.962 254 D HN 0.032 nan 8.370 nan 0.000 0.490 255 A N 1.237 124.079 122.820 0.036 0.000 2.592 255 A HA -0.096 4.224 4.320 -0.000 0.000 0.250 255 A C 0.478 178.020 177.584 -0.070 0.000 1.017 255 A CA 0.507 52.533 52.037 -0.017 0.000 0.794 255 A CB 0.091 19.085 19.000 -0.011 0.000 0.917 255 A HN -0.115 nan 8.150 nan 0.000 0.515 256 K N 2.965 123.296 120.400 -0.116 0.000 2.258 256 K HA 0.291 4.611 4.320 -0.000 0.000 0.284 256 K C -0.044 176.397 176.600 -0.265 0.000 1.051 256 K CA -0.265 55.880 56.287 -0.236 0.000 0.923 256 K CB 0.709 32.966 32.500 -0.406 0.000 1.046 256 K HN 0.618 nan 8.250 nan 0.000 0.474 257 L N 3.563 124.643 121.223 -0.238 0.000 2.417 257 L HA 0.354 4.694 4.340 -0.000 0.000 0.268 257 L C 0.141 176.862 176.870 -0.249 0.000 1.158 257 L CA -0.429 54.273 54.840 -0.230 0.000 0.819 257 L CB 0.980 42.945 42.059 -0.156 0.000 1.112 257 L HN 0.212 nan 8.230 nan 0.000 0.458 258 V N 3.642 123.395 119.914 -0.269 0.000 2.711 258 V HA 0.358 4.478 4.120 -0.000 0.000 0.304 258 V C 0.351 176.377 176.094 -0.113 0.000 1.097 258 V CA -0.391 61.794 62.300 -0.192 0.000 0.906 258 V CB 2.289 33.976 31.823 -0.226 0.000 1.015 258 V HN 0.638 nan 8.190 nan 0.000 0.427 259 V N 3.049 122.948 119.914 -0.025 0.000 3.430 259 V HA 0.301 4.421 4.120 -0.000 0.000 0.211 259 V C 2.078 178.218 176.094 0.077 0.000 1.173 259 V CA 1.222 63.534 62.300 0.019 0.000 1.310 259 V CB -0.304 31.520 31.823 0.002 0.000 1.361 259 V HN 0.846 nan 8.190 nan 0.000 0.512 260 G N -0.447 108.394 108.800 0.068 0.000 2.464 260 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 260 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 260 G C 0.834 175.805 174.900 0.119 0.000 1.138 260 G CA 0.970 46.127 45.100 0.095 0.000 0.793 260 G HN 0.661 nan 8.290 nan 0.000 0.539 261 N N -0.704 118.062 118.700 0.110 0.000 2.863 261 N HA -0.232 4.508 4.740 -0.000 0.000 0.245 261 N C 1.392 176.983 175.510 0.135 0.000 1.001 261 N CA 1.933 55.060 53.050 0.129 0.000 0.901 261 N CB -1.780 36.812 38.487 0.175 0.000 1.124 261 N HN 0.414 nan 8.380 nan 0.000 0.582 262 T N -3.957 110.674 114.554 0.128 0.000 3.160 262 T HA 0.081 4.431 4.350 -0.000 0.000 0.257 262 T C 1.250 176.034 174.700 0.140 0.000 1.147 262 T CA 1.350 63.535 62.100 0.142 0.000 1.064 262 T CB 0.263 69.220 68.868 0.148 0.000 0.949 262 T HN 0.410 nan 8.240 nan 0.000 0.526 263 E N 0.425 120.699 120.200 0.123 0.000 2.378 263 E HA 0.249 4.599 4.350 -0.000 0.000 0.200 263 E C 1.806 178.488 176.600 0.136 0.000 0.882 263 E CA -0.142 56.327 56.400 0.115 0.000 1.061 263 E CB -0.320 29.427 29.700 0.080 0.000 1.049 263 E HN 0.257 nan 8.360 nan 0.000 0.494 264 I N 1.465 122.099 120.570 0.105 0.000 2.361 264 I HA -0.057 4.113 4.170 -0.000 0.000 0.251 264 I C 2.201 178.455 176.117 0.228 0.000 1.133 264 I CA 1.633 63.014 61.300 0.135 0.000 1.413 264 I CB -1.436 36.567 38.000 0.005 0.000 1.073 264 I HN 0.321 nan 8.210 nan 0.000 0.424 265 G N 1.056 109.974 108.800 0.197 0.000 2.422 265 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 265 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 265 G C 1.630 176.672 174.900 0.236 0.000 1.146 265 G CA 0.225 45.447 45.100 0.204 0.000 0.769 265 G HN 0.196 nan 8.290 nan 0.000 0.547 266 I N 0.886 121.621 120.570 0.276 0.000 2.286 266 I HA -0.047 4.123 4.170 -0.000 0.000 0.245 266 I C 2.553 178.893 176.117 0.372 0.000 1.104 266 I CA 0.905 62.445 61.300 0.399 0.000 1.397 266 I CB -1.150 37.035 38.000 0.308 0.000 1.072 266 I HN 0.317 nan 8.210 nan 0.000 0.417 267 E N 0.554 120.931 120.200 0.295 0.000 2.033 267 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 267 E C 2.337 179.071 176.600 0.224 0.000 1.011 267 E CA 1.630 58.202 56.400 0.286 0.000 0.815 267 E CB -0.158 29.763 29.700 0.368 0.000 0.755 267 E HN 0.392 nan 8.360 nan 0.000 0.451 268 M N 0.355 120.089 119.600 0.222 0.000 2.080 268 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 268 M C 2.385 178.705 176.300 0.033 0.000 1.068 268 M CA 1.425 56.789 55.300 0.107 0.000 1.109 268 M CB -0.243 32.444 32.600 0.145 0.000 1.342 268 M HN -0.094 nan 8.290 nan 0.000 0.405 269 K N 0.461 120.860 120.400 -0.002 0.000 2.062 269 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 269 K C 1.280 177.651 176.600 -0.381 0.000 1.051 269 K CA 1.735 57.876 56.287 -0.244 0.000 0.941 269 K CB -0.134 32.115 32.500 -0.417 0.000 0.719 269 K HN 0.217 nan 8.250 nan 0.000 0.440 270 F N 0.189 120.203 119.950 0.106 0.000 2.500 270 F HA 0.246 4.773 4.527 -0.000 0.000 0.285 270 F C 1.431 177.290 175.800 0.099 0.000 1.088 270 F CA 0.226 58.289 58.000 0.105 0.000 1.432 270 F CB 0.228 39.297 39.000 0.116 0.000 1.131 270 F HN -0.204 nan 8.300 nan 0.000 0.582 271 K N 0.512 121.074 120.400 0.269 0.000 2.437 271 K HA 0.081 4.401 4.320 -0.000 0.000 0.198 271 K C -0.330 176.335 176.600 0.108 0.000 1.024 271 K CA 0.023 56.423 56.287 0.188 0.000 1.148 271 K CB -0.869 31.746 32.500 0.192 0.000 0.860 271 K HN 0.169 nan 8.250 nan 0.000 0.515 272 N N 1.929 120.676 118.700 0.077 0.000 2.666 272 N HA -0.197 4.543 4.740 -0.000 0.000 0.274 272 N C -0.531 174.961 175.510 -0.030 0.000 1.043 272 N CA 1.003 54.065 53.050 0.019 0.000 0.782 272 N CB -0.479 38.025 38.487 0.028 0.000 0.912 272 N HN 0.234 nan 8.380 nan 0.000 0.556 273 M N 0.530 120.079 119.600 -0.084 0.000 2.664 273 M HA 0.539 5.019 4.480 -0.000 0.000 0.314 273 M C -0.024 176.042 176.300 -0.390 0.000 1.200 273 M CA -0.868 54.269 55.300 -0.272 0.000 0.916 273 M CB 2.023 34.417 32.600 -0.343 0.000 1.717 273 M HN 0.159 nan 8.290 nan 0.000 0.470 274 L N 2.364 123.240 121.223 -0.578 0.000 2.491 274 L HA 0.543 4.883 4.340 -0.000 0.000 0.267 274 L C -2.109 174.455 176.870 -0.509 0.000 0.971 274 L CA -0.013 54.581 54.840 -0.409 0.000 0.857 274 L CB 1.076 43.032 42.059 -0.172 0.000 1.226 274 L HN 0.466 nan 8.230 nan 0.000 0.408 275 F N 7.250 127.223 119.950 0.039 0.000 2.293 275 F HA 0.489 5.016 4.527 -0.000 0.000 0.370 275 F C -1.216 174.596 175.800 0.020 0.000 1.090 275 F CA -1.843 56.171 58.000 0.023 0.000 1.133 275 F CB 0.630 39.639 39.000 0.015 0.000 1.360 275 F HN 0.436 nan 8.300 nan 0.000 0.489 276 P HA -0.204 nan 4.420 nan 0.000 0.218 276 P C 0.268 177.608 177.300 0.067 0.000 1.146 276 P CA 1.312 64.455 63.100 0.072 0.000 0.813 276 P CB 0.527 32.246 31.700 0.032 0.000 0.778 277 M N -0.152 119.485 119.600 0.063 0.000 2.142 277 M HA 0.421 4.901 4.480 -0.000 0.000 0.299 277 M C -1.356 174.929 176.300 -0.025 0.000 0.960 277 M CA -0.780 54.518 55.300 -0.003 0.000 0.920 277 M CB 1.587 34.136 32.600 -0.085 0.000 1.541 277 M HN -0.320 nan 8.290 nan 0.000 0.429 278 I N 4.213 124.732 120.570 -0.084 0.000 2.603 278 I HA 0.624 4.794 4.170 -0.000 0.000 0.300 278 I C -1.165 174.685 176.117 -0.444 0.000 1.017 278 I CA -1.093 60.054 61.300 -0.255 0.000 1.098 278 I CB 2.262 40.090 38.000 -0.286 0.000 1.279 278 I HN 0.469 nan 8.210 nan 0.000 0.437 279 V N 6.081 125.701 119.914 -0.490 0.000 2.525 279 V HA 0.361 4.481 4.120 -0.000 0.000 0.299 279 V C -1.090 174.673 176.094 -0.552 0.000 1.034 279 V CA -0.411 61.596 62.300 -0.488 0.000 0.863 279 V CB 1.669 33.334 31.823 -0.263 0.000 0.999 279 V HN 0.915 nan 8.190 nan 0.000 0.423 280 C N 9.815 128.727 119.300 -0.646 0.000 2.255 280 C HA 0.678 5.138 4.460 -0.000 0.000 0.326 280 C C -1.188 173.644 174.990 -0.264 0.000 1.258 280 C CA -1.187 57.564 59.018 -0.446 0.000 1.676 280 C CB 1.294 28.829 27.740 -0.342 0.000 2.314 280 C HN 0.858 nan 8.230 nan 0.000 0.509 281 P HA 0.135 nan 4.420 nan 0.000 0.267 281 P C 1.076 178.371 177.300 -0.008 0.000 1.289 281 P CA 0.457 63.509 63.100 -0.081 0.000 0.866 281 P CB 0.210 31.869 31.700 -0.069 0.000 1.309 282 A N 0.017 122.831 122.820 -0.010 0.000 1.997 282 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 282 A C 1.822 179.548 177.584 0.237 0.000 1.172 282 A CA 1.395 53.482 52.037 0.084 0.000 0.645 282 A CB -1.709 17.349 19.000 0.096 0.000 0.813 282 A HN 0.192 nan 8.150 nan 0.000 0.454 283 W N -0.106 121.224 121.300 0.050 0.000 2.467 283 W HA 0.193 4.853 4.660 -0.000 0.000 0.275 283 W C 0.644 177.177 176.519 0.023 0.000 1.239 283 W CA -0.615 56.760 57.345 0.050 0.000 1.266 283 W CB -0.843 28.660 29.460 0.072 0.000 1.112 283 W HN 0.129 nan 8.180 nan 0.000 0.576 284 I N 4.744 125.454 120.570 0.233 0.000 2.769 284 I HA -0.123 4.047 4.170 -0.000 0.000 0.285 284 I C -0.581 175.582 176.117 0.077 0.000 1.173 284 I CA -0.737 60.639 61.300 0.127 0.000 1.389 284 I CB 0.421 38.465 38.000 0.072 0.000 1.404 284 I HN -0.281 nan 8.210 nan 0.000 0.544 285 P HA -0.212 nan 4.420 nan 0.000 0.216 285 P C 1.045 178.346 177.300 0.002 0.000 1.150 285 P CA 1.489 64.601 63.100 0.020 0.000 0.843 285 P CB 0.308 32.013 31.700 0.008 0.000 0.787 286 E N 0.012 120.213 120.200 0.001 0.000 2.160 286 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 286 E C 1.975 178.563 176.600 -0.019 0.000 0.991 286 E CA 0.853 57.244 56.400 -0.015 0.000 0.810 286 E CB -1.043 28.648 29.700 -0.015 0.000 0.742 286 E HN 0.294 nan 8.360 nan 0.000 0.466 287 L N 0.622 121.841 121.223 -0.006 0.000 2.599 287 L HA 0.064 4.404 4.340 -0.000 0.000 0.230 287 L C 1.142 178.008 176.870 -0.006 0.000 1.141 287 L CA 0.308 55.143 54.840 -0.009 0.000 0.877 287 L CB 0.066 42.124 42.059 -0.002 0.000 1.009 287 L HN 0.112 nan 8.230 nan 0.000 0.447 288 N N -1.770 116.925 118.700 -0.008 0.000 2.159 288 N HA 0.051 4.791 4.740 -0.000 0.000 0.217 288 N C 0.444 175.938 175.510 -0.026 0.000 1.223 288 N CA 0.039 53.083 53.050 -0.012 0.000 0.896 288 N CB 0.956 39.438 38.487 -0.008 0.000 1.064 288 N HN 0.030 nan 8.380 nan 0.000 0.518 289 S N 0.671 116.347 115.700 -0.041 0.000 2.579 289 S HA 0.318 4.788 4.470 -0.000 0.000 0.275 289 S C -0.074 174.458 174.600 -0.114 0.000 1.345 289 S CA -0.037 58.121 58.200 -0.069 0.000 1.031 289 S CB 0.731 63.889 63.200 -0.071 0.000 0.892 289 S HN -0.066 nan 8.310 nan 0.000 0.529 290 V N 4.609 124.426 119.914 -0.163 0.000 2.447 290 V HA 0.430 4.550 4.120 -0.000 0.000 0.292 290 V C -0.658 175.229 176.094 -0.344 0.000 1.021 290 V CA -0.646 61.451 62.300 -0.339 0.000 0.850 290 V CB 1.405 33.050 31.823 -0.295 0.000 1.005 290 V HN 0.926 nan 8.190 nan 0.000 0.426 291 E N 3.499 123.440 120.200 -0.431 0.000 2.183 291 E HA 0.503 4.853 4.350 -0.000 0.000 0.271 291 E C -0.977 175.370 176.600 -0.421 0.000 0.919 291 E CA -0.787 55.435 56.400 -0.298 0.000 0.781 291 E CB 1.757 31.340 29.700 -0.195 0.000 1.140 291 E HN 0.652 nan 8.360 nan 0.000 0.402 292 H N 2.116 121.099 119.070 -0.144 0.000 2.685 292 H HA 0.293 4.849 4.556 -0.000 0.000 0.286 292 H C 0.116 175.432 175.328 -0.019 0.000 1.102 292 H CA -0.387 55.617 56.048 -0.074 0.000 1.254 292 H CB 1.189 30.938 29.762 -0.022 0.000 1.397 292 H HN 0.660 nan 8.280 nan 0.000 0.473 293 G N 2.653 111.483 108.800 0.049 0.000 2.753 293 G HA2 0.182 4.142 3.960 -0.000 0.000 0.285 293 G HA3 0.182 4.142 3.960 -0.000 0.000 0.285 293 G C -1.309 173.691 174.900 0.166 0.000 1.344 293 G CA -1.117 44.020 45.100 0.062 0.000 1.050 293 G HN 0.285 nan 8.290 nan 0.000 0.532 294 P HA 0.056 nan 4.420 nan 0.000 0.227 294 P C 0.204 177.635 177.300 0.218 0.000 1.161 294 P CA 0.923 64.104 63.100 0.135 0.000 0.788 294 P CB 0.564 32.295 31.700 0.051 0.000 0.822 295 D N -0.648 119.846 120.400 0.158 0.000 2.389 295 D HA 0.235 4.875 4.640 -0.000 0.000 0.206 295 D C 1.359 177.648 176.300 -0.019 0.000 1.055 295 D CA 0.729 54.805 54.000 0.127 0.000 0.856 295 D CB 1.383 42.190 40.800 0.011 0.000 0.957 295 D HN 0.240 nan 8.370 nan 0.000 0.509 296 G N 0.275 108.922 108.800 -0.255 0.000 2.367 296 G HA2 0.274 4.234 3.960 -0.000 0.000 0.272 296 G HA3 0.274 4.234 3.960 -0.000 0.000 0.272 296 G C -1.773 172.848 174.900 -0.464 0.000 1.271 296 G CA -0.857 43.729 45.100 -0.858 0.000 0.893 296 G HN 0.017 nan 8.290 nan 0.000 0.485 297 I N 2.032 122.394 120.570 -0.348 0.000 2.410 297 I HA 0.442 4.612 4.170 -0.000 0.000 0.286 297 I C 0.487 176.287 176.117 -0.528 0.000 1.009 297 I CA -0.738 60.271 61.300 -0.485 0.000 1.111 297 I CB 1.910 39.536 38.000 -0.624 0.000 1.262 297 I HN 0.603 nan 8.210 nan 0.000 0.443 298 S N 5.669 121.053 115.700 -0.526 0.000 2.586 298 S HA 0.660 5.130 4.470 -0.000 0.000 0.274 298 S C -0.853 173.383 174.600 -0.607 0.000 1.281 298 S CA -0.365 57.593 58.200 -0.403 0.000 1.035 298 S CB 0.933 63.973 63.200 -0.266 0.000 0.962 298 S HN 0.330 nan 8.310 nan 0.000 0.512 299 F N 1.031 120.846 119.950 -0.225 0.000 2.518 299 F HA 0.570 5.097 4.527 -0.000 0.000 0.323 299 F C 1.120 176.819 175.800 -0.168 0.000 1.129 299 F CA -0.500 57.378 58.000 -0.204 0.000 0.920 299 F CB 1.670 40.541 39.000 -0.214 0.000 1.160 299 F HN 0.970 nan 8.300 nan 0.000 0.440 300 G N 1.160 109.974 108.800 0.023 0.000 2.474 300 G HA2 0.268 4.228 3.960 -0.000 0.000 0.233 300 G HA3 0.268 4.228 3.960 -0.000 0.000 0.233 300 G C 0.854 175.752 174.900 -0.003 0.000 1.278 300 G CA 0.123 45.215 45.100 -0.012 0.000 0.861 300 G HN 0.965 nan 8.290 nan 0.000 0.567 301 A N 1.828 124.632 122.820 -0.028 0.000 2.067 301 A HA 0.240 4.560 4.320 -0.000 0.000 0.219 301 A C 2.474 180.040 177.584 -0.031 0.000 1.158 301 A CA 2.043 54.058 52.037 -0.036 0.000 0.661 301 A CB -0.152 18.825 19.000 -0.038 0.000 0.801 301 A HN 1.334 nan 8.150 nan 0.000 0.452 302 A N -1.609 121.198 122.820 -0.022 0.000 2.238 302 A HA 0.246 4.566 4.320 -0.000 0.000 0.210 302 A C 0.862 178.425 177.584 -0.035 0.000 1.179 302 A CA -0.027 51.998 52.037 -0.020 0.000 0.827 302 A CB -0.823 18.176 19.000 -0.002 0.000 0.856 302 A HN 0.423 nan 8.150 nan 0.000 0.488 303 C N 3.184 122.461 119.300 -0.038 0.000 2.517 303 C HA 0.205 4.665 4.460 -0.000 0.000 0.403 303 C C -1.784 173.135 174.990 -0.119 0.000 1.467 303 C CA -0.803 58.179 59.018 -0.060 0.000 1.542 303 C CB -0.472 27.262 27.740 -0.010 0.000 2.482 303 C HN 0.447 nan 8.230 nan 0.000 0.610 304 P HA 0.058 nan 4.420 nan 0.000 0.271 304 P C 0.672 177.836 177.300 -0.228 0.000 1.218 304 P CA 0.147 63.145 63.100 -0.170 0.000 0.780 304 P CB 0.599 32.182 31.700 -0.194 0.000 0.901 305 L N 1.762 122.830 121.223 -0.258 0.000 2.189 305 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 305 L C 2.584 179.272 176.870 -0.303 0.000 1.097 305 L CA 2.116 56.748 54.840 -0.346 0.000 0.764 305 L CB -1.022 40.750 42.059 -0.478 0.000 0.900 305 L HN 0.465 nan 8.230 nan 0.000 0.436 306 S N -0.188 115.371 115.700 -0.234 0.000 2.383 306 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 306 S C 1.877 176.360 174.600 -0.194 0.000 1.026 306 S CA 0.915 58.999 58.200 -0.193 0.000 0.981 306 S CB -0.507 62.599 63.200 -0.157 0.000 0.818 306 S HN 0.385 nan 8.310 nan 0.000 0.472 307 I N 1.203 121.650 120.570 -0.205 0.000 2.233 307 I HA -0.094 4.076 4.170 -0.000 0.000 0.243 307 I C 2.449 178.441 176.117 -0.208 0.000 1.093 307 I CA 0.759 61.964 61.300 -0.159 0.000 1.380 307 I CB -0.423 37.505 38.000 -0.119 0.000 1.067 307 I HN 0.186 nan 8.210 nan 0.000 0.413 308 V N 0.913 120.567 119.914 -0.434 0.000 2.287 308 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 308 V C 2.484 178.293 176.094 -0.476 0.000 1.053 308 V CA 2.298 64.083 62.300 -0.858 0.000 1.027 308 V CB -0.640 30.612 31.823 -0.952 0.000 0.646 308 V HN 0.495 nan 8.190 nan 0.000 0.447 309 E N 0.037 120.035 120.200 -0.336 0.000 2.051 309 E HA -0.312 4.038 4.350 -0.000 0.000 0.192 309 E C 2.237 178.741 176.600 -0.159 0.000 0.991 309 E CA 1.719 57.980 56.400 -0.233 0.000 0.799 309 E CB -0.082 29.492 29.700 -0.210 0.000 0.748 309 E HN 0.430 nan 8.360 nan 0.000 0.449 310 K N -0.012 120.308 120.400 -0.134 0.000 2.032 310 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 310 K C 2.044 178.619 176.600 -0.041 0.000 1.048 310 K CA 2.189 58.427 56.287 -0.082 0.000 0.927 310 K CB -0.598 31.857 32.500 -0.075 0.000 0.712 310 K HN 0.100 nan 8.250 nan 0.000 0.441 311 T N 0.933 115.484 114.554 -0.005 0.000 2.746 311 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 311 T C 1.539 176.251 174.700 0.020 0.000 1.039 311 T CA 1.308 63.453 62.100 0.075 0.000 1.142 311 T CB -0.180 68.849 68.868 0.268 0.000 0.866 311 T HN 0.012 nan 8.240 nan 0.000 0.444 312 L N 0.901 122.081 121.223 -0.073 0.000 2.056 312 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 312 L C 2.642 179.474 176.870 -0.063 0.000 1.078 312 L CA 1.067 55.796 54.840 -0.185 0.000 0.749 312 L CB -1.090 40.795 42.059 -0.290 0.000 0.901 312 L HN 0.161 nan 8.230 nan 0.000 0.433 313 V N -0.519 119.365 119.914 -0.050 0.000 2.343 313 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 313 V C 2.076 178.177 176.094 0.012 0.000 1.051 313 V CA 2.160 64.450 62.300 -0.017 0.000 1.036 313 V CB -0.333 31.466 31.823 -0.039 0.000 0.654 313 V HN 0.438 nan 8.190 nan 0.000 0.451 314 D N 0.569 120.976 120.400 0.011 0.000 2.144 314 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 314 D C 2.225 178.561 176.300 0.060 0.000 0.984 314 D CA 1.681 55.697 54.000 0.026 0.000 0.834 314 D CB -0.340 40.472 40.800 0.021 0.000 0.955 314 D HN 0.608 nan 8.370 nan 0.000 0.465 315 A N 0.515 123.391 122.820 0.094 0.000 1.898 315 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 315 A C 2.455 180.165 177.584 0.210 0.000 1.181 315 A CA 0.833 52.979 52.037 0.182 0.000 0.620 315 A CB -0.593 18.554 19.000 0.246 0.000 0.819 315 A HN 0.137 nan 8.150 nan 0.000 0.442 316 V N -0.254 119.772 119.914 0.188 0.000 2.626 316 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 316 V C 2.847 179.002 176.094 0.101 0.000 1.067 316 V CA 1.713 64.117 62.300 0.173 0.000 1.081 316 V CB -0.845 31.064 31.823 0.144 0.000 0.686 316 V HN 0.603 nan 8.190 nan 0.000 0.468 317 A N -0.780 122.084 122.820 0.073 0.000 2.021 317 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 317 A C 2.171 179.779 177.584 0.039 0.000 1.163 317 A CA 1.130 53.194 52.037 0.044 0.000 0.676 317 A CB -0.185 18.831 19.000 0.027 0.000 0.818 317 A HN 0.403 nan 8.150 nan 0.000 0.453 318 K N -0.624 119.806 120.400 0.050 0.000 2.242 318 K HA 0.328 4.648 4.320 -0.000 0.000 0.200 318 K C 0.493 177.111 176.600 0.030 0.000 1.050 318 K CA 0.352 56.659 56.287 0.033 0.000 0.981 318 K CB -0.087 32.428 32.500 0.026 0.000 0.795 318 K HN 0.466 nan 8.250 nan 0.000 0.477 319 L N 1.103 122.360 121.223 0.057 0.000 2.400 319 L HA 0.409 4.749 4.340 -0.000 0.000 0.264 319 L C -2.048 174.829 176.870 0.012 0.000 1.061 319 L CA -2.426 52.430 54.840 0.026 0.000 0.799 319 L CB 0.238 42.328 42.059 0.050 0.000 1.240 319 L HN -0.174 nan 8.230 nan 0.000 0.461 320 P HA 0.061 nan 4.420 nan 0.000 0.268 320 P C 0.100 177.397 177.300 -0.005 0.000 1.205 320 P CA -0.057 63.030 63.100 -0.022 0.000 0.771 320 P CB 0.931 32.601 31.700 -0.050 0.000 0.858 321 A N 2.774 125.602 122.820 0.012 0.000 1.978 321 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 321 A C 2.079 179.680 177.584 0.028 0.000 1.170 321 A CA 1.707 53.763 52.037 0.031 0.000 0.636 321 A CB -0.980 18.042 19.000 0.037 0.000 0.810 321 A HN 0.556 nan 8.150 nan 0.000 0.448 322 Q N 0.016 119.821 119.800 0.008 0.000 2.291 322 Q HA -0.032 4.308 4.340 -0.000 0.000 0.205 322 Q C 1.439 177.409 176.000 -0.049 0.000 0.970 322 Q CA 1.697 57.497 55.803 -0.004 0.000 0.876 322 Q CB -0.223 28.505 28.738 -0.018 0.000 0.935 322 Q HN 0.669 nan 8.270 nan 0.000 0.455 323 K N -1.119 119.237 120.400 -0.072 0.000 2.374 323 K HA 0.101 4.421 4.320 -0.000 0.000 0.196 323 K C 0.592 177.108 176.600 -0.141 0.000 1.023 323 K CA 0.889 57.105 56.287 -0.118 0.000 1.103 323 K CB 0.719 33.094 32.500 -0.208 0.000 0.848 323 K HN 0.223 nan 8.250 nan 0.000 0.528 324 T N -2.628 111.866 114.554 -0.100 0.000 3.252 324 T HA 0.196 4.546 4.350 -0.000 0.000 0.286 324 T C 0.918 175.603 174.700 -0.024 0.000 1.013 324 T CA -0.428 61.596 62.100 -0.126 0.000 0.914 324 T CB 0.353 69.282 68.868 0.103 0.000 1.131 324 T HN -0.119 nan 8.240 nan 0.000 0.529 325 E N 1.482 121.673 120.200 -0.015 0.000 2.058 325 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 325 E C 2.177 178.836 176.600 0.097 0.000 0.997 325 E CA 1.124 57.585 56.400 0.102 0.000 0.801 325 E CB -0.335 29.457 29.700 0.153 0.000 0.746 325 E HN 0.436 nan 8.360 nan 0.000 0.450 326 V N 1.317 121.153 119.914 -0.130 0.000 2.358 326 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 326 V C 2.232 178.302 176.094 -0.040 0.000 1.047 326 V CA 1.362 63.412 62.300 -0.417 0.000 1.035 326 V CB -0.590 30.928 31.823 -0.508 0.000 0.658 326 V HN 0.102 nan 8.190 nan 0.000 0.452 327 F N 0.785 120.683 119.950 -0.088 0.000 2.126 327 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 327 F C 2.578 178.373 175.800 -0.009 0.000 1.096 327 F CA 1.621 59.601 58.000 -0.033 0.000 1.255 327 F CB -1.052 37.960 39.000 0.019 0.000 0.997 327 F HN 0.085 nan 8.300 nan 0.000 0.479 328 R N -0.017 120.621 120.500 0.230 0.000 2.115 328 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 328 R C 2.540 178.916 176.300 0.127 0.000 1.111 328 R CA 1.136 57.325 56.100 0.148 0.000 0.976 328 R CB -1.046 29.335 30.300 0.136 0.000 0.870 328 R HN 0.326 nan 8.270 nan 0.000 0.445 329 G N -0.827 108.093 108.800 0.201 0.000 2.402 329 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 329 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 329 G C 1.336 176.306 174.900 0.117 0.000 1.162 329 G CA 0.785 46.038 45.100 0.256 0.000 0.777 329 G HN 0.192 nan 8.290 nan 0.000 0.539 330 V N 0.888 120.836 119.914 0.057 0.000 2.427 330 V HA -0.063 4.057 4.120 -0.000 0.000 0.248 330 V C 2.844 178.906 176.094 -0.053 0.000 1.051 330 V CA 1.142 63.421 62.300 -0.035 0.000 1.048 330 V CB -0.321 31.477 31.823 -0.041 0.000 0.666 330 V HN 0.322 nan 8.190 nan 0.000 0.456 331 L N -0.575 120.630 121.223 -0.031 0.000 2.141 331 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 331 L C 2.697 179.527 176.870 -0.068 0.000 1.094 331 L CA 1.118 55.921 54.840 -0.062 0.000 0.763 331 L CB -0.468 41.568 42.059 -0.037 0.000 0.908 331 L HN 0.311 nan 8.230 nan 0.000 0.437 332 E N -0.101 120.085 120.200 -0.023 0.000 2.106 332 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 332 E C 2.217 178.832 176.600 0.026 0.000 0.984 332 E CA 0.937 57.335 56.400 -0.003 0.000 0.806 332 E CB 0.123 29.835 29.700 0.020 0.000 0.750 332 E HN 0.455 nan 8.360 nan 0.000 0.458 333 Q N 0.199 120.017 119.800 0.029 0.000 2.046 333 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 333 Q C 2.536 178.602 176.000 0.109 0.000 0.975 333 Q CA 0.694 56.553 55.803 0.093 0.000 0.836 333 Q CB -0.421 28.342 28.738 0.043 0.000 0.896 333 Q HN 0.334 nan 8.270 nan 0.000 0.428 334 L N 0.568 121.796 121.223 0.008 0.000 2.265 334 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 334 L C 2.610 179.428 176.870 -0.087 0.000 1.117 334 L CA 0.736 55.563 54.840 -0.022 0.000 0.782 334 L CB -0.396 41.564 42.059 -0.165 0.000 0.914 334 L HN 0.192 nan 8.230 nan 0.000 0.441 335 R N 0.098 120.454 120.500 -0.241 0.000 2.120 335 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 335 R C 0.933 176.797 176.300 -0.727 0.000 1.123 335 R CA 1.601 57.362 56.100 -0.565 0.000 0.975 335 R CB -0.030 29.798 30.300 -0.787 0.000 0.866 335 R HN 0.404 nan 8.270 nan 0.000 0.446 336 W N -0.955 120.369 121.300 0.040 0.000 2.771 336 W HA 0.247 4.907 4.660 -0.000 0.000 0.412 336 W C -0.633 175.916 176.519 0.049 0.000 0.965 336 W CA -1.110 56.245 57.345 0.016 0.000 2.045 336 W CB 0.309 29.753 29.460 -0.026 0.000 1.176 336 W HN -0.125 nan 8.180 nan 0.000 0.634 337 F N 1.964 121.946 119.950 0.054 0.000 2.371 337 F HA 0.652 5.179 4.527 -0.000 0.000 0.363 337 F C 1.082 176.897 175.800 0.026 0.000 1.122 337 F CA -0.580 57.440 58.000 0.033 0.000 1.129 337 F CB -0.084 38.905 39.000 -0.019 0.000 1.173 337 F HN 0.113 nan 8.300 nan 0.000 0.489 338 A N 3.767 126.666 122.820 0.131 0.000 5.395 338 A HA 0.031 4.351 4.320 -0.000 0.000 0.324 338 A C 0.695 178.374 177.584 0.158 0.000 1.813 338 A CA 1.230 53.363 52.037 0.159 0.000 0.714 338 A CB -1.951 17.214 19.000 0.275 0.000 1.374 338 A HN 1.736 nan 8.150 nan 0.000 0.390 339 G N -3.674 105.218 108.800 0.154 0.000 2.788 339 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 339 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 339 G C 0.235 175.185 174.900 0.084 0.000 1.392 339 G CA 0.478 45.640 45.100 0.103 0.000 0.810 339 G HN 0.628 nan 8.290 nan 0.000 0.508 340 K N -0.400 120.028 120.400 0.048 0.000 2.044 340 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 340 K C 2.621 179.270 176.600 0.081 0.000 1.049 340 K CA 1.799 58.107 56.287 0.035 0.000 0.927 340 K CB -0.345 32.157 32.500 0.004 0.000 0.713 340 K HN 0.500 nan 8.250 nan 0.000 0.443 341 Q N 0.340 120.203 119.800 0.104 0.000 2.077 341 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 341 Q C 2.248 178.333 176.000 0.141 0.000 0.989 341 Q CA 1.480 57.361 55.803 0.130 0.000 0.853 341 Q CB -0.575 28.238 28.738 0.125 0.000 0.907 341 Q HN 0.057 nan 8.270 nan 0.000 0.418 342 V N 0.737 120.734 119.914 0.137 0.000 2.379 342 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 342 V C 1.946 178.109 176.094 0.114 0.000 1.044 342 V CA 1.685 64.075 62.300 0.149 0.000 1.036 342 V CB -0.432 31.503 31.823 0.187 0.000 0.664 342 V HN 0.311 nan 8.190 nan 0.000 0.453 343 K N -0.025 120.423 120.400 0.079 0.000 2.283 343 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 343 K C 2.304 178.873 176.600 -0.052 0.000 1.048 343 K CA 1.319 57.588 56.287 -0.030 0.000 0.948 343 K CB -0.167 32.293 32.500 -0.065 0.000 0.742 343 K HN 0.347 nan 8.250 nan 0.000 0.458 344 S N 0.361 116.075 115.700 0.023 0.000 2.461 344 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 344 S C 1.831 176.407 174.600 -0.039 0.000 1.005 344 S CA 1.121 59.324 58.200 0.006 0.000 0.942 344 S CB 0.214 63.563 63.200 0.249 0.000 0.776 344 S HN 0.289 nan 8.310 nan 0.000 0.514 345 V N -2.228 117.720 119.914 0.057 0.000 3.484 345 V HA 0.572 4.692 4.120 -0.000 0.000 0.252 345 V C 0.725 176.838 176.094 0.031 0.000 1.282 345 V CA 0.028 62.369 62.300 0.069 0.000 1.104 345 V CB -0.644 31.278 31.823 0.164 0.000 0.868 345 V HN 0.258 nan 8.190 nan 0.000 0.457 346 A N 2.728 125.564 122.820 0.028 0.000 2.491 346 A HA 0.577 4.897 4.320 -0.000 0.000 0.261 346 A C 0.738 178.290 177.584 -0.053 0.000 1.101 346 A CA 0.690 52.738 52.037 0.020 0.000 0.772 346 A CB -0.392 18.647 19.000 0.065 0.000 1.043 346 A HN 0.964 nan 8.150 nan 0.000 0.501 347 S N 2.290 117.971 115.700 -0.032 0.000 2.601 347 S HA 0.291 4.761 4.470 -0.000 0.000 0.271 347 S C 1.053 175.616 174.600 -0.063 0.000 1.305 347 S CA -0.085 58.079 58.200 -0.061 0.000 1.022 347 S CB 1.451 64.630 63.200 -0.034 0.000 0.940 347 S HN 1.306 nan 8.310 nan 0.000 0.525 348 V N 2.996 122.853 119.914 -0.095 0.000 2.343 348 V HA 0.011 4.131 4.120 -0.000 0.000 0.247 348 V C 2.214 178.312 176.094 0.007 0.000 1.051 348 V CA 2.630 64.891 62.300 -0.065 0.000 1.036 348 V CB -1.395 30.350 31.823 -0.130 0.000 0.654 348 V HN 1.086 nan 8.190 nan 0.000 0.451 349 G N -0.653 108.137 108.800 -0.016 0.000 2.432 349 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 349 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 349 G C 1.568 176.495 174.900 0.046 0.000 1.135 349 G CA 0.799 45.903 45.100 0.007 0.000 0.767 349 G HN 0.690 nan 8.290 nan 0.000 0.550 350 G N 0.856 109.677 108.800 0.035 0.000 2.418 350 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 350 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 350 G C 1.669 176.626 174.900 0.095 0.000 1.158 350 G CA 1.198 46.327 45.100 0.049 0.000 0.771 350 G HN 0.536 nan 8.290 nan 0.000 0.545 351 N N 0.242 119.019 118.700 0.129 0.000 2.188 351 N HA -0.020 4.720 4.740 -0.000 0.000 0.184 351 N C 2.161 177.795 175.510 0.206 0.000 1.018 351 N CA 0.939 54.104 53.050 0.191 0.000 0.858 351 N CB -0.167 38.471 38.487 0.251 0.000 0.989 351 N HN 0.419 nan 8.380 nan 0.000 0.426 352 I N 0.204 120.918 120.570 0.240 0.000 2.090 352 I HA -0.245 3.925 4.170 -0.000 0.000 0.236 352 I C 1.731 178.049 176.117 0.335 0.000 1.064 352 I CA 0.732 62.235 61.300 0.338 0.000 1.324 352 I CB -0.382 37.786 38.000 0.280 0.000 1.044 352 I HN 0.155 nan 8.210 nan 0.000 0.399 353 I N 0.787 121.491 120.570 0.222 0.000 2.208 353 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 353 I C 2.665 178.844 176.117 0.105 0.000 1.097 353 I CA 1.778 63.175 61.300 0.161 0.000 1.363 353 I CB -1.998 36.048 38.000 0.078 0.000 1.051 353 I HN 0.282 nan 8.210 nan 0.000 0.413 354 T N 1.232 115.830 114.554 0.073 0.000 2.721 354 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 354 T C 1.331 176.017 174.700 -0.022 0.000 1.038 354 T CA 1.916 64.026 62.100 0.018 0.000 1.145 354 T CB -0.452 68.433 68.868 0.028 0.000 0.858 354 T HN 0.627 nan 8.240 nan 0.000 0.459 355 A N 1.112 123.939 122.820 0.011 0.000 2.822 355 A HA -0.152 4.168 4.320 -0.000 0.000 0.287 355 A C 0.925 178.359 177.584 -0.250 0.000 1.479 355 A CA 0.772 52.731 52.037 -0.131 0.000 0.779 355 A CB -2.252 16.735 19.000 -0.022 0.000 1.022 355 A HN 0.606 nan 8.150 nan 0.000 0.532 356 S N -0.423 115.175 115.700 -0.170 0.000 2.549 356 S HA 0.431 4.900 4.470 -0.000 0.000 0.283 356 S C -0.561 173.931 174.600 -0.181 0.000 1.320 356 S CA -0.524 57.579 58.200 -0.162 0.000 1.058 356 S CB 0.601 63.748 63.200 -0.088 0.000 0.882 356 S HN 0.302 nan 8.310 nan 0.000 0.498 357 P HA -0.043 nan 4.420 nan 0.000 0.223 357 P C 0.527 177.772 177.300 -0.090 0.000 1.144 357 P CA 0.771 63.806 63.100 -0.109 0.000 0.783 357 P CB -0.137 31.550 31.700 -0.021 0.000 0.771 358 I N -5.473 115.045 120.570 -0.086 0.000 3.889 358 I HA 0.265 4.435 4.170 -0.000 0.000 0.332 358 I C 0.434 176.499 176.117 -0.086 0.000 1.493 358 I CA -1.104 60.151 61.300 -0.075 0.000 1.158 358 I CB -0.883 37.071 38.000 -0.076 0.000 1.117 358 I HN -0.300 nan 8.210 nan 0.000 0.411 359 S N 1.242 116.889 115.700 -0.088 0.000 2.552 359 S HA 0.021 4.491 4.470 -0.000 0.000 0.289 359 S C 0.939 175.510 174.600 -0.048 0.000 1.304 359 S CA 0.112 58.278 58.200 -0.058 0.000 1.063 359 S CB 0.278 63.455 63.200 -0.039 0.000 0.848 359 S HN 0.455 nan 8.310 nan 0.000 0.499 360 D N 3.739 124.120 120.400 -0.031 0.000 2.333 360 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 360 D C 1.560 177.838 176.300 -0.037 0.000 0.984 360 D CA 0.582 54.572 54.000 -0.017 0.000 0.873 360 D CB 0.199 41.002 40.800 0.004 0.000 0.935 360 D HN 0.505 nan 8.370 nan 0.000 0.521 361 L N 0.489 121.687 121.223 -0.043 0.000 2.253 361 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 361 L C 2.014 178.613 176.870 -0.451 0.000 1.078 361 L CA 0.294 54.918 54.840 -0.359 0.000 0.805 361 L CB -0.194 41.673 42.059 -0.321 0.000 0.963 361 L HN -0.145 nan 8.230 nan 0.000 0.459 362 N N 0.589 119.250 118.700 -0.064 0.000 2.149 362 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 362 N C -0.841 174.733 175.510 0.108 0.000 1.019 362 N CA 1.426 54.566 53.050 0.149 0.000 0.857 362 N CB -1.308 37.277 38.487 0.163 0.000 0.997 362 N HN 0.230 nan 8.380 nan 0.000 0.426 363 P HA -0.034 nan 4.420 nan 0.000 0.220 363 P C 1.633 178.953 177.300 0.033 0.000 1.148 363 P CA 0.605 63.718 63.100 0.021 0.000 0.803 363 P CB 0.209 31.889 31.700 -0.034 0.000 0.782 364 V N -1.691 118.204 119.914 -0.032 0.000 2.407 364 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 364 V C 1.964 178.114 176.094 0.093 0.000 1.041 364 V CA 1.490 63.839 62.300 0.082 0.000 1.040 364 V CB -1.207 30.570 31.823 -0.076 0.000 0.671 364 V HN -0.028 nan 8.190 nan 0.000 0.455 365 F N -0.707 119.295 119.950 0.086 0.000 2.234 365 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 365 F C 2.266 178.091 175.800 0.041 0.000 1.087 365 F CA 1.312 59.328 58.000 0.026 0.000 1.340 365 F CB -0.719 38.296 39.000 0.024 0.000 1.031 365 F HN 0.095 nan 8.300 nan 0.000 0.500 366 M N -0.243 119.526 119.600 0.282 0.000 2.123 366 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 366 M C 2.368 178.774 176.300 0.177 0.000 1.069 366 M CA 1.739 57.172 55.300 0.222 0.000 1.133 366 M CB -0.245 32.518 32.600 0.272 0.000 1.356 366 M HN 0.077 nan 8.290 nan 0.000 0.415 367 A N -0.162 122.773 122.820 0.191 0.000 2.019 367 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 367 A C 2.033 179.760 177.584 0.238 0.000 1.164 367 A CA 2.000 54.158 52.037 0.203 0.000 0.644 367 A CB -0.787 18.334 19.000 0.202 0.000 0.805 367 A HN 0.706 nan 8.150 nan 0.000 0.449 368 S N -1.918 113.893 115.700 0.184 0.000 2.540 368 S HA 0.402 4.872 4.470 -0.000 0.000 0.218 368 S C 1.159 175.771 174.600 0.019 0.000 0.977 368 S CA 0.825 59.048 58.200 0.038 0.000 0.918 368 S CB -0.436 62.636 63.200 -0.214 0.000 0.806 368 S HN 1.876 nan 8.310 nan 0.000 0.496 369 G N 1.715 110.546 108.800 0.052 0.000 2.371 369 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.299 369 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.299 369 G C 0.304 175.179 174.900 -0.042 0.000 1.014 369 G CA -0.043 45.062 45.100 0.008 0.000 1.097 369 G HN 1.283 nan 8.290 nan 0.000 0.512 370 A N 0.010 122.807 122.820 -0.038 0.000 2.520 370 A HA 0.504 4.824 4.320 -0.000 0.000 0.235 370 A C 0.833 178.305 177.584 -0.186 0.000 1.065 370 A CA 0.537 52.503 52.037 -0.118 0.000 0.764 370 A CB 0.361 19.249 19.000 -0.186 0.000 1.002 370 A HN 0.583 nan 8.150 nan 0.000 0.502 371 K N 1.831 122.118 120.400 -0.188 0.000 2.253 371 K HA 0.449 4.769 4.320 -0.000 0.000 0.277 371 K C -1.145 175.319 176.600 -0.227 0.000 1.053 371 K CA 0.109 56.282 56.287 -0.189 0.000 0.892 371 K CB 0.894 33.310 32.500 -0.141 0.000 1.102 371 K HN 0.571 nan 8.250 nan 0.000 0.469 372 L N 2.641 123.707 121.223 -0.263 0.000 2.282 372 L HA 0.306 4.646 4.340 -0.000 0.000 0.288 372 L C 0.047 176.809 176.870 -0.180 0.000 1.033 372 L CA -0.650 54.032 54.840 -0.264 0.000 0.807 372 L CB 1.609 43.434 42.059 -0.389 0.000 1.209 372 L HN 0.512 nan 8.230 nan 0.000 0.423 373 T N 4.925 119.394 114.554 -0.141 0.000 2.743 373 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 373 T C -0.085 174.569 174.700 -0.076 0.000 0.972 373 T CA -0.355 61.685 62.100 -0.099 0.000 0.967 373 T CB 0.395 69.209 68.868 -0.090 0.000 0.926 373 T HN 0.273 nan 8.240 nan 0.000 0.459 374 L N 4.166 125.355 121.223 -0.056 0.000 2.317 374 L HA 0.854 5.194 4.340 -0.000 0.000 0.281 374 L C -0.021 176.832 176.870 -0.029 0.000 1.024 374 L CA -1.273 53.548 54.840 -0.031 0.000 0.810 374 L CB 1.462 43.517 42.059 -0.008 0.000 1.240 374 L HN 0.388 nan 8.230 nan 0.000 0.427 375 V N -0.520 119.379 119.914 -0.025 0.000 2.841 375 V HA 0.858 4.978 4.120 -0.000 0.000 0.310 375 V C -0.557 175.524 176.094 -0.022 0.000 1.090 375 V CA -0.328 61.958 62.300 -0.025 0.000 0.930 375 V CB 1.829 33.635 31.823 -0.028 0.000 1.014 375 V HN 0.812 nan 8.190 nan 0.000 0.425 376 S N 3.060 118.748 115.700 -0.021 0.000 2.667 376 S HA 0.595 5.065 4.470 -0.000 0.000 0.292 376 S C -0.354 174.233 174.600 -0.021 0.000 1.126 376 S CA -1.027 57.160 58.200 -0.021 0.000 0.881 376 S CB 2.070 65.258 63.200 -0.020 0.000 1.132 376 S HN 1.199 nan 8.310 nan 0.000 0.492 377 R N 0.725 121.211 120.500 -0.023 0.000 2.446 377 R HA 0.361 4.701 4.340 -0.000 0.000 0.314 377 R C 1.255 177.543 176.300 -0.020 0.000 1.003 377 R CA 1.574 57.661 56.100 -0.022 0.000 1.018 377 R CB -0.654 29.631 30.300 -0.025 0.000 0.945 377 R HN 1.187 nan 8.270 nan 0.000 0.419 378 G N 2.682 111.471 108.800 -0.019 0.000 2.383 378 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.229 378 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.229 378 G C 0.210 175.099 174.900 -0.018 0.000 1.089 378 G CA 0.477 45.567 45.100 -0.018 0.000 0.640 378 G HN 0.810 nan 8.290 nan 0.000 0.510 379 T N -1.738 112.805 114.554 -0.019 0.000 2.934 379 T HA 0.721 5.071 4.350 -0.000 0.000 0.283 379 T C -0.234 174.454 174.700 -0.021 0.000 1.005 379 T CA 0.149 62.238 62.100 -0.019 0.000 1.041 379 T CB 2.430 71.287 68.868 -0.018 0.000 1.042 379 T HN 0.863 nan 8.240 nan 0.000 0.505 380 R N 1.258 121.745 120.500 -0.022 0.000 2.572 380 R HA 0.397 4.737 4.340 -0.000 0.000 0.273 380 R C -1.227 175.056 176.300 -0.028 0.000 1.168 380 R CA -0.661 55.423 56.100 -0.027 0.000 1.021 380 R CB 1.438 31.721 30.300 -0.028 0.000 1.249 380 R HN 1.092 nan 8.270 nan 0.000 0.423 381 R N 0.773 121.253 120.500 -0.032 0.000 2.817 381 R HA 0.664 5.004 4.340 -0.000 0.000 0.268 381 R C -1.379 174.892 176.300 -0.048 0.000 1.027 381 R CA -0.868 55.211 56.100 -0.035 0.000 0.928 381 R CB 2.108 32.391 30.300 -0.028 0.000 1.228 381 R HN 0.313 nan 8.270 nan 0.000 0.469 382 T N 0.843 115.364 114.554 -0.055 0.000 2.893 382 T HA 0.574 4.924 4.350 -0.000 0.000 0.293 382 T C -1.207 173.444 174.700 -0.082 0.000 1.027 382 T CA -0.673 61.381 62.100 -0.077 0.000 0.988 382 T CB 1.833 70.656 68.868 -0.076 0.000 1.043 382 T HN 0.653 nan 8.240 nan 0.000 0.461 383 V N 1.369 121.211 119.914 -0.120 0.000 2.851 383 V HA 0.717 4.837 4.120 -0.000 0.000 0.307 383 V C -0.998 174.984 176.094 -0.187 0.000 1.129 383 V CA -1.307 60.915 62.300 -0.130 0.000 0.932 383 V CB 1.847 33.600 31.823 -0.117 0.000 1.024 383 V HN 0.959 nan 8.190 nan 0.000 0.426 384 Q N 4.883 124.595 119.800 -0.147 0.000 2.331 384 Q HA 0.580 4.920 4.340 -0.000 0.000 0.257 384 Q C -0.017 175.883 176.000 -0.167 0.000 0.957 384 Q CA -0.684 55.027 55.803 -0.154 0.000 0.923 384 Q CB 1.756 30.438 28.738 -0.094 0.000 1.212 384 Q HN 0.937 nan 8.270 nan 0.000 0.443 385 M N 4.186 123.631 119.600 -0.258 0.000 2.243 385 M HA -0.096 4.384 4.480 -0.000 0.000 0.365 385 M C -1.083 175.187 176.300 -0.050 0.000 1.327 385 M CA 1.155 56.301 55.300 -0.256 0.000 0.918 385 M CB 0.164 32.597 32.600 -0.279 0.000 1.894 385 M HN 1.013 nan 8.290 nan 0.000 0.473 386 D N 2.300 122.702 120.400 0.004 0.000 2.958 386 D HA 0.171 4.811 4.640 -0.000 0.000 0.306 386 D C 0.756 177.141 176.300 0.142 0.000 1.226 386 D CA -0.205 53.849 54.000 0.089 0.000 1.032 386 D CB -0.013 40.817 40.800 0.049 0.000 1.400 386 D HN 0.674 nan 8.370 nan 0.000 0.587 387 H N -1.278 117.877 119.070 0.142 0.000 2.457 387 H HA -0.066 4.490 4.556 -0.000 0.000 0.294 387 H C 1.355 176.778 175.328 0.159 0.000 1.064 387 H CA 2.051 58.204 56.048 0.176 0.000 1.330 387 H CB -0.988 28.856 29.762 0.136 0.000 1.395 387 H HN 0.509 nan 8.280 nan 0.000 0.541 388 T N -2.062 112.201 114.554 -0.485 0.000 3.035 388 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 388 T C 1.729 176.359 174.700 -0.117 0.000 1.109 388 T CA 0.338 62.273 62.100 -0.275 0.000 1.119 388 T CB -0.956 67.720 68.868 -0.319 0.000 0.900 388 T HN 0.240 nan 8.240 nan 0.000 0.503 389 F N 1.570 121.354 119.950 -0.277 0.000 2.408 389 F HA 0.288 4.815 4.527 -0.000 0.000 0.300 389 F C -0.260 175.174 175.800 -0.609 0.000 1.090 389 F CA -0.635 57.093 58.000 -0.453 0.000 1.427 389 F CB -0.217 38.423 39.000 -0.599 0.000 1.070 389 F HN 0.127 nan 8.300 nan 0.000 0.549 390 F N 1.050 120.945 119.950 -0.091 0.000 2.451 390 F HA 0.371 4.898 4.527 -0.000 0.000 0.367 390 F C -1.632 174.129 175.800 -0.065 0.000 1.100 390 F CA -2.988 54.933 58.000 -0.132 0.000 1.171 390 F CB 0.346 39.340 39.000 -0.010 0.000 1.405 390 F HN -0.216 nan 8.300 nan 0.000 0.482 391 P HA -0.028 nan 4.420 nan 0.000 0.213 391 P C 0.839 178.185 177.300 0.077 0.000 1.170 391 P CA 1.357 64.475 63.100 0.030 0.000 0.898 391 P CB 0.378 32.065 31.700 -0.022 0.000 0.787 392 G N -3.449 105.401 108.800 0.082 0.000 2.911 392 G HA2 0.308 4.268 3.960 -0.000 0.000 0.299 392 G HA3 0.308 4.268 3.960 -0.000 0.000 0.299 392 G C -1.603 173.374 174.900 0.128 0.000 1.283 392 G CA -0.539 44.627 45.100 0.110 0.000 0.805 392 G HN -0.041 nan 8.290 nan 0.000 0.548 393 Y N 2.355 122.671 120.300 0.027 0.000 2.745 393 Y HA 0.190 4.740 4.550 -0.000 0.000 0.335 393 Y C 1.542 177.456 175.900 0.024 0.000 1.212 393 Y CA 0.595 58.705 58.100 0.017 0.000 1.535 393 Y CB 0.097 38.566 38.460 0.016 0.000 1.220 393 Y HN 0.557 nan 8.280 nan 0.000 0.531 394 R N 2.270 122.490 120.500 -0.468 0.000 3.863 394 R HA -0.251 4.089 4.340 -0.000 0.000 0.313 394 R C -0.708 175.522 176.300 -0.117 0.000 1.202 394 R CA 1.060 56.941 56.100 -0.365 0.000 0.852 394 R CB -1.879 28.125 30.300 -0.495 0.000 1.292 394 R HN 0.670 nan 8.270 nan 0.000 0.519 395 K N 0.437 120.815 120.400 -0.036 0.000 2.221 395 K HA 0.565 4.885 4.320 -0.000 0.000 0.243 395 K C 0.609 177.183 176.600 -0.044 0.000 0.968 395 K CA -0.271 56.002 56.287 -0.023 0.000 0.846 395 K CB 1.991 34.486 32.500 -0.008 0.000 1.141 395 K HN 0.190 nan 8.250 nan 0.000 0.434 396 T N -2.579 111.863 114.554 -0.188 0.000 2.838 396 T HA 0.330 4.680 4.350 -0.000 0.000 0.292 396 T C 0.779 175.196 174.700 -0.471 0.000 1.113 396 T CA -0.965 60.808 62.100 -0.545 0.000 1.008 396 T CB 0.521 69.015 68.868 -0.624 0.000 1.259 396 T HN 0.415 nan 8.240 nan 0.000 0.520 397 L N 0.242 121.063 121.223 -0.671 0.000 2.465 397 L HA 0.214 4.554 4.340 -0.000 0.000 0.224 397 L C 0.833 177.635 176.870 -0.114 0.000 1.145 397 L CA 0.220 54.897 54.840 -0.272 0.000 0.834 397 L CB -0.656 41.329 42.059 -0.124 0.000 0.944 397 L HN 0.429 nan 8.230 nan 0.000 0.451 398 L N 0.314 121.476 121.223 -0.101 0.000 2.506 398 L HA 0.027 4.367 4.340 -0.000 0.000 0.281 398 L C 1.034 177.882 176.870 -0.037 0.000 1.228 398 L CA -0.069 54.756 54.840 -0.025 0.000 0.850 398 L CB 0.266 42.322 42.059 -0.005 0.000 1.110 398 L HN 0.214 nan 8.230 nan 0.000 0.496 399 S N 2.234 117.921 115.700 -0.021 0.000 2.669 399 S HA 0.327 4.797 4.470 -0.000 0.000 0.270 399 S C -1.494 173.094 174.600 -0.019 0.000 1.225 399 S CA -1.173 57.014 58.200 -0.021 0.000 0.991 399 S CB 1.116 64.306 63.200 -0.016 0.000 0.987 399 S HN 0.551 nan 8.310 nan 0.000 0.552 400 P HA -0.092 nan 4.420 nan 0.000 0.218 400 P C 0.522 177.814 177.300 -0.014 0.000 1.148 400 P CA 1.308 64.401 63.100 -0.012 0.000 0.822 400 P CB -0.043 31.654 31.700 -0.004 0.000 0.784 401 E N -0.348 119.843 120.200 -0.016 0.000 2.435 401 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 401 E C 0.666 177.253 176.600 -0.020 0.000 1.029 401 E CA 0.316 56.704 56.400 -0.019 0.000 0.865 401 E CB -0.332 29.355 29.700 -0.022 0.000 0.833 401 E HN 0.503 nan 8.360 nan 0.000 0.510 402 E N 0.426 120.615 120.200 -0.018 0.000 2.349 402 E HA 0.395 4.745 4.350 -0.000 0.000 0.265 402 E C -0.209 176.381 176.600 -0.017 0.000 1.064 402 E CA -0.511 55.880 56.400 -0.016 0.000 0.886 402 E CB 1.068 30.763 29.700 -0.009 0.000 1.036 402 E HN 0.060 nan 8.360 nan 0.000 0.413 403 I N -1.076 119.484 120.570 -0.017 0.000 2.865 403 I HA 0.335 4.505 4.170 -0.000 0.000 0.302 403 I C -1.187 174.922 176.117 -0.013 0.000 1.140 403 I CA -1.325 59.963 61.300 -0.019 0.000 1.021 403 I CB 1.072 39.053 38.000 -0.031 0.000 1.233 403 I HN 0.266 nan 8.210 nan 0.000 0.427 404 L N 4.449 125.668 121.223 -0.007 0.000 2.361 404 L HA 0.335 4.675 4.340 -0.000 0.000 0.278 404 L C 0.392 177.242 176.870 -0.033 0.000 1.113 404 L CA 0.127 54.959 54.840 -0.013 0.000 0.849 404 L CB 0.934 42.994 42.059 0.003 0.000 1.155 404 L HN 0.895 nan 8.230 nan 0.000 0.452 405 L N 4.143 125.339 121.223 -0.045 0.000 2.130 405 L HA 0.315 4.655 4.340 -0.000 0.000 0.200 405 L C 0.662 177.497 176.870 -0.059 0.000 1.075 405 L CA 1.465 56.276 54.840 -0.048 0.000 0.768 405 L CB -0.038 41.992 42.059 -0.049 0.000 0.933 405 L HN 0.906 nan 8.230 nan 0.000 0.451 406 S N -1.798 113.854 115.700 -0.080 0.000 2.611 406 S HA 0.468 4.938 4.470 -0.000 0.000 0.268 406 S C -1.032 173.487 174.600 -0.136 0.000 1.156 406 S CA -0.721 57.424 58.200 -0.093 0.000 0.817 406 S CB 0.969 64.113 63.200 -0.093 0.000 1.122 406 S HN 0.198 nan 8.310 nan 0.000 0.466 407 I N 0.423 120.902 120.570 -0.153 0.000 2.647 407 I HA 0.563 4.733 4.170 -0.000 0.000 0.295 407 I C -1.137 174.866 176.117 -0.190 0.000 1.078 407 I CA -0.473 60.687 61.300 -0.233 0.000 1.048 407 I CB 1.939 39.704 38.000 -0.391 0.000 1.239 407 I HN 0.948 nan 8.210 nan 0.000 0.421 408 E N 7.879 127.955 120.200 -0.206 0.000 2.113 408 E HA 0.395 4.745 4.350 -0.000 0.000 0.273 408 E C -1.244 175.273 176.600 -0.138 0.000 0.924 408 E CA -0.699 55.598 56.400 -0.170 0.000 0.764 408 E CB 1.255 30.857 29.700 -0.164 0.000 1.104 408 E HN 0.533 nan 8.360 nan 0.000 0.406 409 I N 6.890 127.430 120.570 -0.050 0.000 2.337 409 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 409 I C -2.114 174.043 176.117 0.067 0.000 1.046 409 I CA -2.184 59.161 61.300 0.074 0.000 1.324 409 I CB 0.884 39.019 38.000 0.225 0.000 1.409 409 I HN 0.294 nan 8.210 nan 0.000 0.494 410 P HA 0.021 nan 4.420 nan 0.000 0.269 410 P C -0.890 176.179 177.300 -0.384 0.000 1.209 410 P CA 0.144 63.128 63.100 -0.193 0.000 0.776 410 P CB 0.330 31.948 31.700 -0.136 0.000 0.876 411 Y N 0.018 120.140 120.300 -0.296 0.000 2.295 411 Y HA 0.312 4.862 4.550 -0.000 0.000 0.331 411 Y C 1.511 177.213 175.900 -0.330 0.000 1.311 411 Y CA 0.064 57.889 58.100 -0.457 0.000 1.430 411 Y CB 0.404 38.697 38.460 -0.278 0.000 1.339 411 Y HN 0.221 nan 8.280 nan 0.000 0.552 412 S N 0.659 116.290 115.700 -0.115 0.000 2.578 412 S HA 0.606 5.076 4.470 -0.000 0.000 0.283 412 S C -0.375 174.171 174.600 -0.088 0.000 1.195 412 S CA -0.735 57.399 58.200 -0.110 0.000 1.050 412 S CB 0.493 63.631 63.200 -0.103 0.000 1.012 412 S HN 0.627 nan 8.310 nan 0.000 0.511 413 R N 1.361 121.802 120.500 -0.098 0.000 2.691 413 R HA 0.418 4.758 4.340 -0.000 0.000 0.259 413 R C -0.453 175.769 176.300 -0.130 0.000 1.048 413 R CA -0.984 55.058 56.100 -0.096 0.000 1.086 413 R CB 0.433 30.687 30.300 -0.077 0.000 1.166 413 R HN 0.592 nan 8.270 nan 0.000 0.526 414 E N 0.575 120.711 120.200 -0.106 0.000 2.452 414 E HA 0.031 4.381 4.350 -0.000 0.000 0.261 414 E C 0.759 177.267 176.600 -0.154 0.000 0.987 414 E CA 0.847 57.181 56.400 -0.111 0.000 0.926 414 E CB 0.571 30.231 29.700 -0.067 0.000 0.934 414 E HN 0.842 nan 8.360 nan 0.000 0.452 415 G N 2.920 111.581 108.800 -0.232 0.000 2.198 415 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 415 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 415 G C 0.152 174.773 174.900 -0.464 0.000 1.025 415 G CA 0.821 45.756 45.100 -0.274 0.000 0.769 415 G HN 0.490 nan 8.290 nan 0.000 0.507 416 E N -0.438 119.355 120.200 -0.679 0.000 2.224 416 E HA 0.678 5.028 4.350 -0.000 0.000 0.265 416 E C -0.866 175.350 176.600 -0.640 0.000 0.878 416 E CA -1.033 55.066 56.400 -0.502 0.000 0.759 416 E CB 1.089 30.658 29.700 -0.218 0.000 1.164 416 E HN 0.206 nan 8.360 nan 0.000 0.414 417 Y N 2.549 122.885 120.300 0.060 0.000 2.536 417 Y HA 0.597 5.147 4.550 -0.000 0.000 0.347 417 Y C -0.896 175.169 175.900 0.275 0.000 1.000 417 Y CA -1.063 57.094 58.100 0.095 0.000 1.051 417 Y CB 1.578 40.015 38.460 -0.039 0.000 1.259 417 Y HN 0.478 nan 8.280 nan 0.000 0.468 418 F N 0.515 120.637 119.950 0.286 0.000 2.581 418 F HA 0.742 5.269 4.527 -0.000 0.000 0.311 418 F C -0.744 175.170 175.800 0.189 0.000 1.113 418 F CA -0.361 57.780 58.000 0.234 0.000 0.935 418 F CB 1.820 40.871 39.000 0.085 0.000 1.232 418 F HN 0.438 nan 8.300 nan 0.000 0.445 419 S N 2.541 117.929 115.700 -0.521 0.000 2.599 419 S HA 0.966 5.436 4.470 -0.000 0.000 0.287 419 S C -1.335 172.684 174.600 -0.968 0.000 1.105 419 S CA -0.582 57.319 58.200 -0.499 0.000 0.899 419 S CB 1.892 65.018 63.200 -0.122 0.000 1.100 419 S HN 0.893 nan 8.310 nan 0.000 0.482 420 A N 1.374 123.607 122.820 -0.978 0.000 2.475 420 A HA 0.916 5.236 4.320 -0.000 0.000 0.301 420 A C -1.816 175.060 177.584 -1.181 0.000 1.059 420 A CA -0.483 51.080 52.037 -0.790 0.000 0.710 420 A CB 0.787 19.621 19.000 -0.277 0.000 1.288 420 A HN 0.549 nan 8.150 nan 0.000 0.408 421 F N 0.247 119.928 119.950 -0.448 0.000 2.626 421 F HA 0.792 5.319 4.527 -0.000 0.000 0.311 421 F C -0.026 175.458 175.800 -0.526 0.000 1.088 421 F CA -0.523 57.067 58.000 -0.683 0.000 0.949 421 F CB 2.660 40.697 39.000 -1.606 0.000 1.322 421 F HN 0.637 nan 8.300 nan 0.000 0.461 422 K N 1.745 122.064 120.400 -0.136 0.000 2.569 422 K HA 0.571 4.891 4.320 -0.000 0.000 0.259 422 K C -2.136 174.524 176.600 0.099 0.000 0.932 422 K CA -0.649 55.649 56.287 0.019 0.000 0.833 422 K CB 2.236 34.742 32.500 0.009 0.000 1.340 422 K HN 0.609 nan 8.250 nan 0.000 0.429 423 Q N 2.555 122.452 119.800 0.162 0.000 2.284 423 Q HA 0.732 5.072 4.340 -0.000 0.000 0.269 423 Q C -1.991 174.036 176.000 0.046 0.000 1.026 423 Q CA -0.268 55.593 55.803 0.096 0.000 0.831 423 Q CB 2.246 31.075 28.738 0.151 0.000 1.322 423 Q HN 0.773 nan 8.270 nan 0.000 0.419 424 A N 1.779 124.609 122.820 0.016 0.000 3.988 424 A HA 0.746 5.066 4.320 -0.000 0.000 0.178 424 A C 0.141 177.760 177.584 0.059 0.000 0.740 424 A CA 0.290 52.344 52.037 0.029 0.000 0.806 424 A CB 0.321 19.309 19.000 -0.020 0.000 1.517 424 A HN 0.647 nan 8.150 nan 0.000 0.811 425 S N -0.851 114.864 115.700 0.025 0.000 2.427 425 S HA 0.203 4.673 4.470 -0.000 0.000 0.224 425 S C 0.951 175.536 174.600 -0.025 0.000 1.047 425 S CA 0.496 58.708 58.200 0.019 0.000 0.953 425 S CB 0.011 63.220 63.200 0.016 0.000 0.824 425 S HN 0.565 nan 8.310 nan 0.000 0.502 426 R N 0.603 121.069 120.500 -0.056 0.000 2.750 426 R HA 0.433 4.773 4.340 -0.000 0.000 0.281 426 R C 0.600 176.813 176.300 -0.145 0.000 0.972 426 R CA -0.667 55.378 56.100 -0.092 0.000 0.912 426 R CB 1.002 31.257 30.300 -0.075 0.000 1.187 426 R HN -0.009 nan 8.270 nan 0.000 0.464 427 R N 0.977 121.332 120.500 -0.242 0.000 2.081 427 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 427 R C -0.131 176.093 176.300 -0.127 0.000 1.131 427 R CA 1.474 57.308 56.100 -0.442 0.000 0.960 427 R CB -0.009 29.822 30.300 -0.781 0.000 0.856 427 R HN 0.574 nan 8.270 nan 0.000 0.436 428 E N 0.691 120.921 120.200 0.050 0.000 2.319 428 E HA 0.029 4.379 4.350 -0.000 0.000 0.268 428 E C -0.668 176.001 176.600 0.115 0.000 1.050 428 E CA -0.437 56.082 56.400 0.199 0.000 0.878 428 E CB 0.650 30.452 29.700 0.169 0.000 1.066 428 E HN 0.006 nan 8.360 nan 0.000 0.406 429 D N 1.647 122.128 120.400 0.134 0.000 3.164 429 D HA -0.234 4.406 4.640 -0.000 0.000 0.200 429 D C -1.231 175.091 176.300 0.037 0.000 1.222 429 D CA 1.076 55.126 54.000 0.083 0.000 0.871 429 D CB -0.496 40.359 40.800 0.092 0.000 0.831 429 D HN 0.402 nan 8.370 nan 0.000 0.389 430 D N 1.096 121.500 120.400 0.007 0.000 2.599 430 D HA 0.430 5.070 4.640 -0.000 0.000 0.252 430 D C -0.525 175.742 176.300 -0.055 0.000 1.232 430 D CA -0.658 53.331 54.000 -0.020 0.000 0.819 430 D CB 1.001 41.789 40.800 -0.021 0.000 1.401 430 D HN 0.194 nan 8.370 nan 0.000 0.429 431 I N 1.479 122.019 120.570 -0.050 0.000 2.441 431 I HA 0.459 4.629 4.170 -0.000 0.000 0.287 431 I C 0.731 176.816 176.117 -0.054 0.000 1.049 431 I CA -0.659 60.600 61.300 -0.069 0.000 1.381 431 I CB 1.292 39.261 38.000 -0.052 0.000 1.409 431 I HN 0.411 nan 8.210 nan 0.000 0.523 432 A N 6.965 129.747 122.820 -0.064 0.000 2.462 432 A HA 0.208 4.528 4.320 -0.000 0.000 0.243 432 A C 1.047 178.610 177.584 -0.035 0.000 1.076 432 A CA -0.212 51.804 52.037 -0.034 0.000 0.773 432 A CB 0.495 19.481 19.000 -0.023 0.000 1.010 432 A HN 0.739 nan 8.150 nan 0.000 0.493 433 K N 0.652 121.039 120.400 -0.022 0.000 2.078 433 K HA 0.165 4.485 4.320 -0.000 0.000 0.203 433 K C -0.012 176.542 176.600 -0.077 0.000 1.043 433 K CA 1.191 57.443 56.287 -0.058 0.000 0.960 433 K CB 0.003 32.475 32.500 -0.047 0.000 0.761 433 K HN 0.512 nan 8.250 nan 0.000 0.448 434 V N 0.895 120.791 119.914 -0.030 0.000 2.623 434 V HA 0.284 4.404 4.120 -0.000 0.000 0.304 434 V C -0.547 175.707 176.094 0.266 0.000 1.054 434 V CA -0.808 61.534 62.300 0.070 0.000 0.882 434 V CB 1.978 33.768 31.823 -0.054 0.000 1.002 434 V HN 0.126 nan 8.190 nan 0.000 0.424 435 T N 2.754 117.447 114.554 0.231 0.000 2.893 435 T HA 0.757 5.107 4.350 -0.000 0.000 0.293 435 T C -0.952 173.816 174.700 0.114 0.000 1.027 435 T CA -0.220 61.964 62.100 0.140 0.000 0.988 435 T CB 1.762 70.650 68.868 0.034 0.000 1.043 435 T HN 0.897 nan 8.240 nan 0.000 0.461 436 S N 1.696 117.356 115.700 -0.066 0.000 2.570 436 S HA 0.822 5.292 4.470 -0.000 0.000 0.270 436 S C -0.868 173.557 174.600 -0.292 0.000 1.149 436 S CA -0.319 57.762 58.200 -0.199 0.000 0.837 436 S CB 1.603 64.646 63.200 -0.261 0.000 1.124 436 S HN 1.126 nan 8.310 nan 0.000 0.465 437 G N 2.375 110.969 108.800 -0.342 0.000 2.702 437 G HA2 0.622 4.582 3.960 -0.000 0.000 0.295 437 G HA3 0.622 4.582 3.960 -0.000 0.000 0.295 437 G C -1.227 173.322 174.900 -0.584 0.000 1.446 437 G CA -0.527 44.329 45.100 -0.407 0.000 0.983 437 G HN 0.607 nan 8.290 nan 0.000 0.520 438 M N 2.175 121.191 119.600 -0.974 0.000 2.311 438 M HA 0.544 5.024 4.480 -0.000 0.000 0.325 438 M C -0.096 175.584 176.300 -1.034 0.000 1.061 438 M CA -0.746 53.929 55.300 -1.042 0.000 0.957 438 M CB 2.963 34.654 32.600 -1.514 0.000 1.646 438 M HN 0.528 nan 8.290 nan 0.000 0.434 439 R N 2.034 122.314 120.500 -0.365 0.000 2.744 439 R HA 0.890 5.230 4.340 -0.000 0.000 0.279 439 R C -2.185 174.272 176.300 0.262 0.000 0.977 439 R CA -0.714 55.475 56.100 0.147 0.000 0.906 439 R CB 2.504 33.009 30.300 0.341 0.000 1.197 439 R HN 0.620 nan 8.270 nan 0.000 0.463 440 V N 4.836 124.899 119.914 0.248 0.000 2.851 440 V HA 0.542 4.662 4.120 -0.000 0.000 0.307 440 V C -2.020 173.930 176.094 -0.239 0.000 1.129 440 V CA -0.844 61.438 62.300 -0.029 0.000 0.932 440 V CB 2.068 33.726 31.823 -0.274 0.000 1.024 440 V HN 0.728 nan 8.190 nan 0.000 0.426 441 L N 6.680 127.730 121.223 -0.289 0.000 2.349 441 L HA 0.727 5.067 4.340 -0.000 0.000 0.278 441 L C -1.272 175.416 176.870 -0.304 0.000 0.996 441 L CA 0.028 54.720 54.840 -0.247 0.000 0.825 441 L CB 1.381 43.378 42.059 -0.102 0.000 1.243 441 L HN 0.568 nan 8.230 nan 0.000 0.412 442 F N 4.019 123.924 119.950 -0.074 0.000 2.385 442 F HA 0.466 4.993 4.527 -0.000 0.000 0.336 442 F C 0.779 176.568 175.800 -0.020 0.000 1.100 442 F CA -0.607 57.376 58.000 -0.028 0.000 1.116 442 F CB 0.904 39.880 39.000 -0.040 0.000 1.166 442 F HN 0.287 nan 8.300 nan 0.000 0.511 443 K N 3.301 123.824 120.400 0.205 0.000 2.448 443 K HA 0.097 4.417 4.320 -0.000 0.000 0.278 443 K C -2.437 174.224 176.600 0.101 0.000 1.009 443 K CA -1.372 54.984 56.287 0.116 0.000 0.995 443 K CB -0.048 32.515 32.500 0.105 0.000 0.917 443 K HN 0.246 nan 8.250 nan 0.000 0.481 444 P HA -0.162 nan 4.420 nan 0.000 0.259 444 P C 0.729 178.045 177.300 0.027 0.000 1.155 444 P CA 1.277 64.396 63.100 0.032 0.000 0.759 444 P CB 0.144 31.854 31.700 0.016 0.000 0.753 445 G N 1.862 110.669 108.800 0.012 0.000 2.196 445 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.268 445 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.268 445 G C 0.494 175.391 174.900 -0.006 0.000 0.975 445 G CA 0.892 45.991 45.100 -0.002 0.000 0.648 445 G HN 0.803 nan 8.290 nan 0.000 0.538 446 T N -3.989 110.573 114.554 0.013 0.000 2.819 446 T HA 0.701 5.051 4.350 -0.000 0.000 0.271 446 T C 1.010 175.684 174.700 -0.044 0.000 0.986 446 T CA 0.963 63.071 62.100 0.013 0.000 0.989 446 T CB 1.698 70.606 68.868 0.066 0.000 1.396 446 T HN 0.960 nan 8.240 nan 0.000 0.597 447 T N -2.443 112.105 114.554 -0.010 0.000 3.275 447 T HA 0.297 4.647 4.350 -0.000 0.000 0.298 447 T C 0.049 174.953 174.700 0.340 0.000 0.988 447 T CA -0.447 61.571 62.100 -0.137 0.000 0.936 447 T CB -0.610 68.163 68.868 -0.159 0.000 1.159 447 T HN 0.902 nan 8.240 nan 0.000 0.519 448 E N 1.441 121.858 120.200 0.362 0.000 2.227 448 E HA 0.515 4.865 4.350 -0.000 0.000 0.282 448 E C -0.605 176.247 176.600 0.419 0.000 1.015 448 E CA -0.950 55.673 56.400 0.371 0.000 0.823 448 E CB 1.394 31.224 29.700 0.216 0.000 1.081 448 E HN 0.043 nan 8.360 nan 0.000 0.396 449 V N 4.266 124.396 119.914 0.360 0.000 2.485 449 V HA -0.102 4.017 4.120 -0.000 0.000 0.287 449 V C 1.260 177.412 176.094 0.096 0.000 1.022 449 V CA 0.499 62.886 62.300 0.147 0.000 1.067 449 V CB 0.498 32.454 31.823 0.223 0.000 0.967 449 V HN 0.930 nan 8.190 nan 0.000 0.479 450 Q N 3.975 123.790 119.800 0.026 0.000 2.304 450 Q HA 0.163 4.503 4.340 -0.000 0.000 0.204 450 Q C 0.374 176.387 176.000 0.020 0.000 0.936 450 Q CA 0.669 56.493 55.803 0.035 0.000 0.878 450 Q CB 0.627 29.383 28.738 0.029 0.000 0.983 450 Q HN 0.853 nan 8.270 nan 0.000 0.516 451 E N 0.229 120.421 120.200 -0.013 0.000 2.314 451 E HA 0.486 4.836 4.350 -0.000 0.000 0.272 451 E C -1.965 174.648 176.600 0.022 0.000 0.884 451 E CA -0.714 55.692 56.400 0.011 0.000 0.753 451 E CB 2.404 32.107 29.700 0.005 0.000 1.213 451 E HN 0.056 nan 8.360 nan 0.000 0.432 452 L N 1.649 122.917 121.223 0.074 0.000 2.505 452 L HA 0.704 5.044 4.340 -0.000 0.000 0.266 452 L C -1.967 174.969 176.870 0.111 0.000 0.954 452 L CA -0.271 54.649 54.840 0.133 0.000 0.852 452 L CB 1.973 44.156 42.059 0.206 0.000 1.282 452 L HN 0.649 nan 8.230 nan 0.000 0.403 453 A N 5.955 128.837 122.820 0.103 0.000 2.414 453 A HA 0.776 5.096 4.320 -0.000 0.000 0.286 453 A C -1.802 175.773 177.584 -0.014 0.000 1.073 453 A CA -0.346 51.727 52.037 0.061 0.000 0.727 453 A CB 0.947 19.993 19.000 0.077 0.000 1.215 453 A HN 0.592 nan 8.150 nan 0.000 0.430 454 L N 2.360 123.572 121.223 -0.019 0.000 2.316 454 L HA 0.461 4.800 4.340 -0.000 0.000 0.280 454 L C -0.846 175.933 176.870 -0.153 0.000 1.006 454 L CA -0.473 54.284 54.840 -0.138 0.000 0.836 454 L CB 1.393 43.457 42.059 0.008 0.000 1.221 454 L HN 0.695 nan 8.230 nan 0.000 0.418 455 C N 2.270 121.390 119.300 -0.299 0.000 2.456 455 C HA 0.730 5.190 4.460 -0.000 0.000 0.325 455 C C -0.345 174.435 174.990 -0.352 0.000 1.217 455 C CA -0.852 58.077 59.018 -0.148 0.000 1.687 455 C CB 1.023 28.759 27.740 -0.006 0.000 2.270 455 C HN 0.545 nan 8.230 nan 0.000 0.499 456 Y N 0.053 120.381 120.300 0.045 0.000 2.605 456 Y HA 0.724 5.274 4.550 -0.000 0.000 0.343 456 Y C 0.586 176.492 175.900 0.011 0.000 1.036 456 Y CA -0.416 57.706 58.100 0.036 0.000 1.065 456 Y CB 1.886 40.368 38.460 0.036 0.000 1.288 456 Y HN 0.848 nan 8.280 nan 0.000 0.481 457 G N -0.963 107.949 108.800 0.187 0.000 2.524 457 G HA2 0.475 4.435 3.960 -0.000 0.000 0.310 457 G HA3 0.475 4.435 3.960 -0.000 0.000 0.310 457 G C 0.350 175.283 174.900 0.054 0.000 1.279 457 G CA -0.496 44.643 45.100 0.065 0.000 0.974 457 G HN 1.294 nan 8.290 nan 0.000 0.484 458 G N 0.640 109.435 108.800 -0.008 0.000 2.159 458 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.256 458 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.256 458 G C 0.915 175.769 174.900 -0.076 0.000 0.977 458 G CA 0.806 45.877 45.100 -0.049 0.000 0.652 458 G HN 0.577 nan 8.290 nan 0.000 0.531 459 M N -0.068 119.500 119.600 -0.053 0.000 2.405 459 M HA 0.675 5.155 4.480 -0.000 0.000 0.292 459 M C 0.840 177.096 176.300 -0.073 0.000 1.111 459 M CA 0.649 55.889 55.300 -0.101 0.000 0.979 459 M CB -0.183 32.328 32.600 -0.149 0.000 1.426 459 M HN 1.251 nan 8.290 nan 0.000 0.509 460 A N 0.103 122.896 122.820 -0.044 0.000 2.526 460 A HA 0.331 4.651 4.320 -0.000 0.000 0.306 460 A C 0.420 178.009 177.584 0.008 0.000 1.088 460 A CA -0.172 51.853 52.037 -0.020 0.000 0.600 460 A CB -0.133 18.869 19.000 0.004 0.000 1.423 460 A HN 0.136 nan 8.150 nan 0.000 0.582 461 N N -0.397 118.326 118.700 0.038 0.000 2.258 461 N HA -0.111 4.629 4.740 -0.000 0.000 0.187 461 N C 0.501 176.082 175.510 0.119 0.000 1.012 461 N CA 2.459 55.570 53.050 0.101 0.000 0.870 461 N CB -0.208 38.340 38.487 0.102 0.000 0.977 461 N HN 0.686 nan 8.380 nan 0.000 0.434 462 R N -4.003 116.520 120.500 0.039 0.000 2.944 462 R HA 0.311 4.651 4.340 -0.000 0.000 0.270 462 R C -1.070 175.191 176.300 -0.066 0.000 0.989 462 R CA -0.696 55.370 56.100 -0.058 0.000 0.853 462 R CB -0.614 29.634 30.300 -0.086 0.000 1.430 462 R HN -0.284 nan 8.270 nan 0.000 0.450 463 T N 1.848 116.281 114.554 -0.202 0.000 2.867 463 T HA 0.452 4.802 4.350 -0.000 0.000 0.297 463 T C 0.479 175.248 174.700 0.114 0.000 0.989 463 T CA 0.176 62.227 62.100 -0.081 0.000 1.159 463 T CB -0.545 68.200 68.868 -0.205 0.000 0.928 463 T HN 0.449 nan 8.240 nan 0.000 0.538 464 I N -0.692 119.969 120.570 0.151 0.000 3.294 464 I HA 0.895 5.065 4.170 -0.000 0.000 0.311 464 I C -0.426 175.813 176.117 0.205 0.000 1.111 464 I CA -1.124 60.292 61.300 0.193 0.000 0.976 464 I CB 2.430 40.517 38.000 0.145 0.000 1.260 464 I HN 0.472 nan 8.210 nan 0.000 0.474 465 S N 0.909 116.716 115.700 0.177 0.000 2.538 465 S HA 0.726 5.196 4.470 -0.000 0.000 0.288 465 S C -0.125 174.532 174.600 0.096 0.000 1.108 465 S CA -0.386 57.897 58.200 0.139 0.000 0.971 465 S CB 1.721 64.992 63.200 0.119 0.000 1.041 465 S HN 0.943 nan 8.310 nan 0.000 0.483 466 A N 5.559 128.455 122.820 0.127 0.000 3.033 466 A HA 0.322 4.642 4.320 -0.000 0.000 0.250 466 A C 1.349 178.945 177.584 0.019 0.000 1.633 466 A CA -0.203 51.885 52.037 0.085 0.000 1.290 466 A CB -1.061 18.025 19.000 0.143 0.000 1.048 466 A HN 0.915 nan 8.150 nan 0.000 0.648 467 L N -0.373 120.834 121.223 -0.026 0.000 1.978 467 L HA -0.275 4.065 4.340 -0.000 0.000 0.218 467 L C 2.394 179.242 176.870 -0.036 0.000 1.075 467 L CA 1.551 56.355 54.840 -0.059 0.000 0.767 467 L CB -0.404 41.556 42.059 -0.165 0.000 0.890 467 L HN 0.407 nan 8.230 nan 0.000 0.434 468 K N -0.468 119.909 120.400 -0.038 0.000 2.044 468 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 468 K C 2.047 178.633 176.600 -0.024 0.000 1.049 468 K CA 2.077 58.348 56.287 -0.028 0.000 0.927 468 K CB -1.096 31.387 32.500 -0.027 0.000 0.713 468 K HN 0.367 nan 8.250 nan 0.000 0.443 469 T N 1.075 115.612 114.554 -0.029 0.000 2.857 469 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 469 T C 2.070 176.749 174.700 -0.034 0.000 1.048 469 T CA 1.924 63.997 62.100 -0.044 0.000 1.139 469 T CB -0.303 68.524 68.868 -0.068 0.000 0.874 469 T HN 0.549 nan 8.240 nan 0.000 0.455 470 T N 0.702 115.252 114.554 -0.008 0.000 2.851 470 T HA -0.066 4.284 4.350 -0.000 0.000 0.262 470 T C 1.969 176.691 174.700 0.037 0.000 1.043 470 T CA 0.526 62.642 62.100 0.026 0.000 1.140 470 T CB -0.318 68.582 68.868 0.053 0.000 0.872 470 T HN 0.097 nan 8.240 nan 0.000 0.446 471 Q N 1.129 120.942 119.800 0.023 0.000 2.152 471 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 471 Q C 2.342 178.360 176.000 0.029 0.000 0.985 471 Q CA 1.405 57.224 55.803 0.026 0.000 0.863 471 Q CB -0.501 28.244 28.738 0.013 0.000 0.904 471 Q HN 0.597 nan 8.270 nan 0.000 0.422 472 R N 0.390 120.900 120.500 0.017 0.000 2.280 472 R HA -0.072 4.268 4.340 -0.000 0.000 0.207 472 R C 1.120 177.439 176.300 0.031 0.000 1.043 472 R CA 0.577 56.686 56.100 0.016 0.000 1.006 472 R CB 0.378 30.676 30.300 -0.003 0.000 0.885 472 R HN 0.209 nan 8.270 nan 0.000 0.467 473 Q N 0.172 120.001 119.800 0.049 0.000 2.319 473 Q HA 0.128 4.468 4.340 -0.000 0.000 0.202 473 Q C 0.297 176.369 176.000 0.119 0.000 0.896 473 Q CA 0.087 55.941 55.803 0.084 0.000 0.942 473 Q CB 0.445 29.246 28.738 0.106 0.000 1.083 473 Q HN 0.316 nan 8.270 nan 0.000 0.510 474 L N 2.080 123.360 121.223 0.094 0.000 2.490 474 L HA -0.053 4.287 4.340 -0.000 0.000 0.274 474 L C 1.092 178.022 176.870 0.100 0.000 1.201 474 L CA 0.748 55.645 54.840 0.096 0.000 0.869 474 L CB 0.174 42.275 42.059 0.070 0.000 1.123 474 L HN 0.387 nan 8.230 nan 0.000 0.484 475 S N 0.385 116.155 115.700 0.117 0.000 2.857 475 S HA -0.227 4.243 4.470 -0.000 0.000 0.268 475 S C 0.145 174.830 174.600 0.141 0.000 1.297 475 S CA 1.139 59.410 58.200 0.119 0.000 1.280 475 S CB -1.382 61.870 63.200 0.086 0.000 1.562 475 S HN 0.732 nan 8.310 nan 0.000 0.661 476 K N 0.855 121.354 120.400 0.165 0.000 2.185 476 K HA 0.637 4.957 4.320 -0.000 0.000 0.271 476 K C -0.021 176.737 176.600 0.263 0.000 1.013 476 K CA -0.712 55.681 56.287 0.176 0.000 0.943 476 K CB 0.467 33.059 32.500 0.152 0.000 0.998 476 K HN 0.197 nan 8.250 nan 0.000 0.468 477 L N 2.582 123.948 121.223 0.238 0.000 2.417 477 L HA 0.083 4.423 4.340 -0.000 0.000 0.268 477 L C -0.256 176.856 176.870 0.404 0.000 1.158 477 L CA 0.255 55.277 54.840 0.303 0.000 0.819 477 L CB 0.410 42.589 42.059 0.200 0.000 1.112 477 L HN 0.639 nan 8.230 nan 0.000 0.458 478 W N 6.427 127.911 121.300 0.305 0.000 2.110 478 W HA 0.157 4.817 4.660 -0.000 0.000 0.450 478 W C -0.331 176.361 176.519 0.289 0.000 0.893 478 W CA -0.201 57.363 57.345 0.366 0.000 1.688 478 W CB 0.039 29.755 29.460 0.427 0.000 1.779 478 W HN 0.551 nan 8.180 nan 0.000 0.300 479 K N 1.107 121.649 120.400 0.237 0.000 2.399 479 K HA 0.039 4.359 4.320 -0.000 0.000 0.260 479 K C 0.783 177.481 176.600 0.163 0.000 1.049 479 K CA -0.791 55.629 56.287 0.220 0.000 0.890 479 K CB 1.639 34.233 32.500 0.156 0.000 1.430 479 K HN -0.095 nan 8.250 nan 0.000 0.459 480 E N 1.510 121.802 120.200 0.153 0.000 2.136 480 E HA -0.286 4.064 4.350 -0.000 0.000 0.202 480 E C 1.561 178.131 176.600 -0.050 0.000 1.019 480 E CA 1.822 58.243 56.400 0.035 0.000 0.819 480 E CB 0.096 29.831 29.700 0.058 0.000 0.739 480 E HN 0.528 nan 8.360 nan 0.000 0.458 481 E N 0.160 120.355 120.200 -0.008 0.000 2.118 481 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 481 E C 2.244 178.814 176.600 -0.050 0.000 0.992 481 E CA 1.263 57.650 56.400 -0.022 0.000 0.804 481 E CB -0.356 29.349 29.700 0.009 0.000 0.741 481 E HN 0.471 nan 8.360 nan 0.000 0.458 482 L N 0.452 121.643 121.223 -0.053 0.000 2.093 482 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 482 L C 2.612 179.393 176.870 -0.149 0.000 1.085 482 L CA 0.828 55.619 54.840 -0.083 0.000 0.755 482 L CB -0.246 41.770 42.059 -0.072 0.000 0.904 482 L HN 0.176 nan 8.230 nan 0.000 0.435 483 L N 0.022 121.089 121.223 -0.260 0.000 1.994 483 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 483 L C 2.481 179.271 176.870 -0.133 0.000 1.071 483 L CA 1.937 56.609 54.840 -0.279 0.000 0.745 483 L CB -0.782 40.804 42.059 -0.788 0.000 0.892 483 L HN 0.367 nan 8.230 nan 0.000 0.431 484 Q N -0.803 118.909 119.800 -0.146 0.000 2.061 484 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 484 Q C 2.008 177.947 176.000 -0.101 0.000 0.984 484 Q CA 2.021 57.754 55.803 -0.116 0.000 0.846 484 Q CB -0.330 28.347 28.738 -0.101 0.000 0.902 484 Q HN 0.638 nan 8.270 nan 0.000 0.421 485 D N -0.251 120.090 120.400 -0.097 0.000 2.144 485 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 485 D C 1.744 177.968 176.300 -0.127 0.000 0.978 485 D CA 0.718 54.663 54.000 -0.092 0.000 0.833 485 D CB 0.159 40.917 40.800 -0.070 0.000 0.961 485 D HN -0.002 nan 8.370 nan 0.000 0.470 486 V N -0.269 119.531 119.914 -0.190 0.000 2.307 486 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 486 V C 2.708 178.643 176.094 -0.264 0.000 1.045 486 V CA 1.480 63.579 62.300 -0.335 0.000 1.024 486 V CB -0.445 30.916 31.823 -0.769 0.000 0.651 486 V HN 0.455 nan 8.190 nan 0.000 0.449 487 C N 0.135 119.346 119.300 -0.149 0.000 2.432 487 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 487 C C 3.111 178.064 174.990 -0.062 0.000 1.249 487 C CA 0.880 59.872 59.018 -0.042 0.000 1.725 487 C CB -1.342 26.428 27.740 0.050 0.000 2.028 487 C HN 0.637 nan 8.230 nan 0.000 0.477 488 A N 0.670 123.445 122.820 -0.076 0.000 1.908 488 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 488 A C 2.388 179.931 177.584 -0.069 0.000 1.181 488 A CA 2.249 54.245 52.037 -0.069 0.000 0.627 488 A CB -1.265 17.693 19.000 -0.070 0.000 0.818 488 A HN 0.577 nan 8.150 nan 0.000 0.445 489 G N -0.374 108.374 108.800 -0.086 0.000 2.402 489 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 489 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 489 G C 1.560 176.413 174.900 -0.079 0.000 1.162 489 G CA 0.970 46.022 45.100 -0.080 0.000 0.777 489 G HN 0.428 nan 8.290 nan 0.000 0.539 490 L N 0.673 121.837 121.223 -0.099 0.000 2.083 490 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 490 L C 3.385 180.200 176.870 -0.093 0.000 1.083 490 L CA 0.962 55.741 54.840 -0.102 0.000 0.752 490 L CB -0.332 41.659 42.059 -0.113 0.000 0.899 490 L HN 0.310 nan 8.230 nan 0.000 0.433 491 A N -0.597 122.183 122.820 -0.066 0.000 1.972 491 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 491 A C 2.287 179.875 177.584 0.007 0.000 1.169 491 A CA 1.780 53.797 52.037 -0.033 0.000 0.635 491 A CB -0.361 18.628 19.000 -0.018 0.000 0.810 491 A HN 0.474 nan 8.150 nan 0.000 0.446 492 E N -0.561 119.626 120.200 -0.022 0.000 2.060 492 E HA -0.166 4.184 4.350 -0.000 0.000 0.189 492 E C 2.022 178.614 176.600 -0.012 0.000 0.974 492 E CA 0.974 57.358 56.400 -0.026 0.000 0.808 492 E CB -0.146 29.524 29.700 -0.049 0.000 0.768 492 E HN 0.736 nan 8.360 nan 0.000 0.453 493 E N 0.117 120.300 120.200 -0.029 0.000 2.204 493 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 493 E C 1.654 178.237 176.600 -0.028 0.000 0.989 493 E CA 0.620 57.004 56.400 -0.027 0.000 0.824 493 E CB 0.193 29.872 29.700 -0.035 0.000 0.756 493 E HN 0.291 nan 8.360 nan 0.000 0.477 494 L N 0.412 121.604 121.223 -0.052 0.000 2.766 494 L HA 0.146 4.486 4.340 -0.000 0.000 0.242 494 L C 0.949 177.776 176.870 -0.071 0.000 1.136 494 L CA -0.481 54.302 54.840 -0.095 0.000 0.933 494 L CB 0.032 41.957 42.059 -0.223 0.000 1.241 494 L HN 0.235 nan 8.230 nan 0.000 0.522 495 H N 2.272 121.279 119.070 -0.104 0.000 3.115 495 H HA 0.044 4.600 4.556 -0.000 0.000 0.324 495 H C -0.735 174.548 175.328 -0.076 0.000 1.007 495 H CA 0.822 56.818 56.048 -0.087 0.000 1.385 495 H CB 0.630 30.352 29.762 -0.065 0.000 1.351 495 H HN 0.097 nan 8.280 nan 0.000 0.592 496 L N 7.672 128.558 121.223 -0.563 0.000 2.334 496 L HA 0.350 4.690 4.340 -0.000 0.000 0.276 496 L C -1.936 174.754 176.870 -0.299 0.000 1.014 496 L CA -2.066 52.589 54.840 -0.309 0.000 0.815 496 L CB 2.140 44.046 42.059 -0.254 0.000 1.268 496 L HN 0.581 nan 8.230 nan 0.000 0.428 497 P HA 0.159 nan 4.420 nan 0.000 0.275 497 P C -2.410 174.881 177.300 -0.015 0.000 1.228 497 P CA -1.494 61.622 63.100 0.025 0.000 0.786 497 P CB 0.669 32.390 31.700 0.035 0.000 0.927 498 P HA -0.192 nan 4.420 nan 0.000 0.218 498 P C 0.717 178.035 177.300 0.030 0.000 1.146 498 P CA 1.694 64.807 63.100 0.021 0.000 0.820 498 P CB -0.173 31.551 31.700 0.040 0.000 0.778 499 D N -1.800 118.620 120.400 0.034 0.000 2.342 499 D HA 0.160 4.800 4.640 -0.000 0.000 0.221 499 D C 0.433 176.759 176.300 0.044 0.000 1.101 499 D CA -0.404 53.629 54.000 0.055 0.000 0.837 499 D CB -0.901 39.931 40.800 0.053 0.000 0.938 499 D HN 0.010 nan 8.370 nan 0.000 0.508 500 A N 1.357 124.175 122.820 -0.004 0.000 2.561 500 A HA 0.279 4.599 4.320 -0.000 0.000 0.234 500 A C -2.186 175.343 177.584 -0.092 0.000 1.055 500 A CA -0.624 51.380 52.037 -0.056 0.000 0.756 500 A CB -0.353 18.588 19.000 -0.099 0.000 0.986 500 A HN 0.076 nan 8.150 nan 0.000 0.505 501 P HA 0.330 nan 4.420 nan 0.000 0.268 501 P C 1.125 177.995 177.300 -0.717 0.000 1.204 501 P CA 1.585 64.467 63.100 -0.364 0.000 0.768 501 P CB 0.869 32.415 31.700 -0.258 0.000 0.842 502 G N 1.773 109.593 108.800 -1.633 0.000 2.336 502 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.233 502 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.233 502 G C 0.639 175.037 174.900 -0.836 0.000 1.053 502 G CA 0.202 44.330 45.100 -1.621 0.000 0.625 502 G HN 1.024 nan 8.290 nan 0.000 0.511 503 G N -0.315 108.285 108.800 -0.334 0.000 2.642 503 G HA2 0.100 4.060 3.960 -0.000 0.000 0.231 503 G HA3 0.100 4.060 3.960 -0.000 0.000 0.231 503 G C 0.684 175.544 174.900 -0.066 0.000 1.338 503 G CA 0.779 45.855 45.100 -0.041 0.000 0.883 503 G HN 1.889 nan 8.290 nan 0.000 0.570 504 M N -1.266 118.347 119.600 0.021 0.000 2.253 504 M HA -0.277 4.203 4.480 -0.000 0.000 0.199 504 M C 1.743 178.057 176.300 0.024 0.000 0.342 504 M CA 1.061 56.399 55.300 0.063 0.000 0.417 504 M CB -2.319 30.358 32.600 0.129 0.000 1.338 504 M HN 1.915 nan 8.290 nan 0.000 0.920 505 V N -2.457 117.437 119.914 -0.034 0.000 2.255 505 V HA -0.248 3.871 4.120 -0.000 0.000 0.247 505 V C 1.797 177.833 176.094 -0.096 0.000 1.051 505 V CA 2.360 64.597 62.300 -0.105 0.000 1.018 505 V CB -0.437 31.297 31.823 -0.147 0.000 0.641 505 V HN 0.466 nan 8.190 nan 0.000 0.445 506 D N 0.231 120.608 120.400 -0.037 0.000 2.106 506 D HA -0.190 4.450 4.640 -0.000 0.000 0.191 506 D C 1.810 178.129 176.300 0.032 0.000 0.997 506 D CA 1.999 55.993 54.000 -0.010 0.000 0.834 506 D CB -0.584 40.235 40.800 0.032 0.000 0.956 506 D HN 0.549 nan 8.370 nan 0.000 0.448 507 F N 1.702 121.600 119.950 -0.087 0.000 2.095 507 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 507 F C 2.237 177.949 175.800 -0.147 0.000 1.104 507 F CA 1.504 59.445 58.000 -0.098 0.000 1.232 507 F CB -0.267 38.690 39.000 -0.072 0.000 0.987 507 F HN -0.171 nan 8.300 nan 0.000 0.475 508 R N -0.672 119.666 120.500 -0.270 0.000 2.083 508 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 508 R C 2.389 178.457 176.300 -0.388 0.000 1.137 508 R CA 1.867 57.719 56.100 -0.412 0.000 0.951 508 R CB -1.256 28.885 30.300 -0.266 0.000 0.851 508 R HN 0.364 nan 8.270 nan 0.000 0.434 509 C N -0.198 118.933 119.300 -0.282 0.000 2.432 509 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 509 C C 2.734 177.566 174.990 -0.263 0.000 1.249 509 C CA 1.165 60.024 59.018 -0.265 0.000 1.725 509 C CB -0.910 26.711 27.740 -0.197 0.000 2.028 509 C HN 0.562 nan 8.230 nan 0.000 0.477 510 T N 1.577 116.005 114.554 -0.210 0.000 2.721 510 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 510 T C 1.638 176.129 174.700 -0.349 0.000 1.038 510 T CA 1.414 63.407 62.100 -0.179 0.000 1.145 510 T CB -0.373 68.457 68.868 -0.065 0.000 0.858 510 T HN 0.484 nan 8.240 nan 0.000 0.459 511 L N 1.069 121.962 121.223 -0.549 0.000 2.093 511 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 511 L C 3.098 179.455 176.870 -0.855 0.000 1.085 511 L CA 1.617 55.933 54.840 -0.874 0.000 0.755 511 L CB -0.993 40.411 42.059 -1.092 0.000 0.904 511 L HN 0.469 nan 8.230 nan 0.000 0.435 512 T N -2.141 112.105 114.554 -0.512 0.000 2.833 512 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 512 T C 1.766 176.429 174.700 -0.062 0.000 1.054 512 T CA 0.967 62.906 62.100 -0.268 0.000 1.135 512 T CB -0.374 68.087 68.868 -0.679 0.000 0.869 512 T HN 0.236 nan 8.240 nan 0.000 0.466 513 L N 0.706 121.835 121.223 -0.156 0.000 2.068 513 L HA 0.053 4.393 4.340 -0.000 0.000 0.204 513 L C 3.139 179.902 176.870 -0.177 0.000 1.076 513 L CA 1.120 55.937 54.840 -0.037 0.000 0.753 513 L CB -0.994 41.076 42.059 0.019 0.000 0.910 513 L HN 0.282 nan 8.230 nan 0.000 0.439 514 S N 0.242 115.674 115.700 -0.447 0.000 2.383 514 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 514 S C 1.855 176.244 174.600 -0.351 0.000 1.030 514 S CA 1.331 59.154 58.200 -0.629 0.000 1.002 514 S CB -0.305 62.541 63.200 -0.590 0.000 0.829 514 S HN 0.194 nan 8.310 nan 0.000 0.467 515 F N 0.844 120.591 119.950 -0.338 0.000 2.102 515 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 515 F C 1.995 177.588 175.800 -0.345 0.000 1.105 515 F CA -0.101 57.559 58.000 -0.568 0.000 1.239 515 F CB -1.336 37.450 39.000 -0.356 0.000 0.991 515 F HN 0.198 nan 8.300 nan 0.000 0.474 516 F N -0.093 119.919 119.950 0.103 0.000 2.126 516 F HA -0.276 4.251 4.527 -0.000 0.000 0.299 516 F C 2.424 178.389 175.800 0.275 0.000 1.096 516 F CA 1.206 59.346 58.000 0.232 0.000 1.255 516 F CB -0.887 38.246 39.000 0.222 0.000 0.997 516 F HN -0.033 nan 8.300 nan 0.000 0.479 517 F N 1.604 121.446 119.950 -0.180 0.000 2.120 517 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 517 F C 2.230 177.910 175.800 -0.200 0.000 1.095 517 F CA 1.951 59.793 58.000 -0.263 0.000 1.249 517 F CB -0.775 37.876 39.000 -0.582 0.000 0.995 517 F HN -0.067 nan 8.300 nan 0.000 0.480 518 K N -0.981 119.215 120.400 -0.339 0.000 2.057 518 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 518 K C 2.146 178.717 176.600 -0.048 0.000 1.050 518 K CA 1.669 57.770 56.287 -0.311 0.000 0.935 518 K CB -0.797 31.526 32.500 -0.294 0.000 0.715 518 K HN 0.296 nan 8.250 nan 0.000 0.439 519 F N 1.296 121.187 119.950 -0.098 0.000 2.069 519 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 519 F C 2.290 178.091 175.800 0.002 0.000 1.113 519 F CA 1.338 59.366 58.000 0.046 0.000 1.214 519 F CB -0.749 38.302 39.000 0.085 0.000 0.978 519 F HN 0.042 nan 8.300 nan 0.000 0.474 520 Y N 0.838 120.964 120.300 -0.289 0.000 2.030 520 Y HA -0.306 4.244 4.550 -0.000 0.000 0.274 520 Y C 2.264 178.143 175.900 -0.035 0.000 1.153 520 Y CA 2.400 60.392 58.100 -0.181 0.000 1.115 520 Y CB -0.942 37.270 38.460 -0.412 0.000 0.969 520 Y HN 0.124 nan 8.280 nan 0.000 0.488 521 L N -0.807 120.281 121.223 -0.225 0.000 2.013 521 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 521 L C 2.372 179.095 176.870 -0.245 0.000 1.073 521 L CA 2.057 56.726 54.840 -0.285 0.000 0.753 521 L CB -1.119 40.740 42.059 -0.334 0.000 0.890 521 L HN 0.281 nan 8.230 nan 0.000 0.432 522 T N -0.610 113.820 114.554 -0.206 0.000 2.720 522 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 522 T C 1.957 176.457 174.700 -0.333 0.000 1.037 522 T CA 1.381 63.363 62.100 -0.197 0.000 1.144 522 T CB -0.208 68.603 68.868 -0.095 0.000 0.864 522 T HN 0.085 nan 8.240 nan 0.000 0.444 523 V N 1.347 120.997 119.914 -0.439 0.000 2.515 523 V HA -0.071 4.049 4.120 -0.000 0.000 0.250 523 V C 2.406 178.211 176.094 -0.483 0.000 1.058 523 V CA 1.214 63.154 62.300 -0.599 0.000 1.064 523 V CB -0.647 30.706 31.823 -0.784 0.000 0.675 523 V HN 0.458 nan 8.190 nan 0.000 0.461 524 L N -0.563 120.469 121.223 -0.318 0.000 2.046 524 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 524 L C 2.685 179.409 176.870 -0.244 0.000 1.077 524 L CA 1.668 56.360 54.840 -0.245 0.000 0.747 524 L CB -0.619 41.298 42.059 -0.236 0.000 0.896 524 L HN 0.379 nan 8.230 nan 0.000 0.432 525 Q N 0.093 119.748 119.800 -0.243 0.000 2.046 525 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 525 Q C 2.258 178.107 176.000 -0.251 0.000 0.975 525 Q CA 1.432 57.116 55.803 -0.199 0.000 0.836 525 Q CB -0.097 28.546 28.738 -0.159 0.000 0.896 525 Q HN 0.451 nan 8.270 nan 0.000 0.428 526 K N 0.596 120.763 120.400 -0.388 0.000 2.103 526 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 526 K C 2.075 178.412 176.600 -0.438 0.000 1.048 526 K CA 0.973 56.953 56.287 -0.512 0.000 0.930 526 K CB -0.117 31.764 32.500 -1.032 0.000 0.716 526 K HN 0.150 nan 8.250 nan 0.000 0.444 527 L N -0.066 120.888 121.223 -0.447 0.000 2.141 527 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 527 L C 2.457 179.214 176.870 -0.189 0.000 1.094 527 L CA 1.139 55.800 54.840 -0.300 0.000 0.763 527 L CB -0.602 41.234 42.059 -0.371 0.000 0.908 527 L HN 0.341 nan 8.230 nan 0.000 0.437 528 G N -1.096 107.597 108.800 -0.178 0.000 2.470 528 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 528 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 528 G C 1.508 176.353 174.900 -0.092 0.000 1.121 528 G CA 0.316 45.344 45.100 -0.119 0.000 0.766 528 G HN 0.273 nan 8.290 nan 0.000 0.553 529 Q N -0.003 119.737 119.800 -0.100 0.000 2.230 529 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 529 Q C 2.162 178.136 176.000 -0.043 0.000 0.963 529 Q CA 0.778 56.542 55.803 -0.064 0.000 0.866 529 Q CB 0.116 28.818 28.738 -0.061 0.000 0.931 529 Q HN 0.367 nan 8.270 nan 0.000 0.452 530 E N -0.199 119.973 120.200 -0.047 0.000 2.489 530 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 530 E C -0.309 176.264 176.600 -0.044 0.000 1.057 530 E CA 0.135 56.517 56.400 -0.031 0.000 0.866 530 E CB -0.042 29.646 29.700 -0.020 0.000 0.916 530 E HN 0.449 nan 8.360 nan 0.000 0.500 531 N N -0.056 118.612 118.700 -0.054 0.000 2.818 531 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 531 N C -0.206 175.271 175.510 -0.055 0.000 1.108 531 N CA -0.004 53.017 53.050 -0.049 0.000 0.745 531 N CB -0.793 37.673 38.487 -0.035 0.000 1.104 531 N HN 0.008 nan 8.380 nan 0.000 0.557 532 L N 1.099 122.275 121.223 -0.078 0.000 2.818 532 L HA 0.067 4.407 4.340 -0.000 0.000 0.243 532 L C 1.643 178.459 176.870 -0.091 0.000 1.185 532 L CA 0.506 55.292 54.840 -0.089 0.000 0.988 532 L CB 0.045 42.025 42.059 -0.133 0.000 1.292 532 L HN 0.206 nan 8.230 nan 0.000 0.519 533 E N -0.948 119.204 120.200 -0.080 0.000 2.381 533 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 533 E C -0.407 176.166 176.600 -0.045 0.000 1.204 533 E CA 0.558 56.915 56.400 -0.071 0.000 0.998 533 E CB -0.136 29.523 29.700 -0.068 0.000 1.080 533 E HN 0.460 nan 8.360 nan 0.000 0.481 534 D N -0.038 120.340 120.400 -0.037 0.000 2.399 534 D HA 0.047 4.687 4.640 -0.000 0.000 0.269 534 D C 1.044 177.339 176.300 -0.007 0.000 1.105 534 D CA -0.162 53.827 54.000 -0.019 0.000 0.844 534 D CB 0.365 41.155 40.800 -0.017 0.000 1.372 534 D HN 0.053 nan 8.370 nan 0.000 0.517 535 K N 1.050 121.441 120.400 -0.016 0.000 2.446 535 K HA 0.213 4.533 4.320 -0.000 0.000 0.203 535 K C -0.721 175.893 176.600 0.024 0.000 1.027 535 K CA -0.055 56.233 56.287 0.003 0.000 1.166 535 K CB 0.011 32.506 32.500 -0.010 0.000 0.869 535 K HN 0.334 nan 8.250 nan 0.000 0.504 536 C N -2.567 116.746 119.300 0.022 0.000 3.080 536 C HA 0.779 5.239 4.460 -0.000 0.000 0.307 536 C C 0.887 175.919 174.990 0.071 0.000 1.311 536 C CA -1.234 57.827 59.018 0.072 0.000 1.533 536 C CB 0.481 28.240 27.740 0.033 0.000 1.970 536 C HN 0.283 nan 8.230 nan 0.000 0.467 537 G N 1.256 110.128 108.800 0.119 0.000 2.562 537 G HA2 0.343 4.303 3.960 -0.000 0.000 0.233 537 G HA3 0.343 4.303 3.960 -0.000 0.000 0.233 537 G C -0.261 174.675 174.900 0.059 0.000 1.266 537 G CA -0.342 44.831 45.100 0.121 0.000 0.852 537 G HN 0.964 nan 8.290 nan 0.000 0.581 538 K N -0.300 120.130 120.400 0.050 0.000 2.382 538 K HA 0.173 4.493 4.320 -0.000 0.000 0.275 538 K C -0.376 176.219 176.600 -0.009 0.000 1.009 538 K CA -0.402 55.888 56.287 0.005 0.000 0.970 538 K CB 1.125 33.618 32.500 -0.012 0.000 0.934 538 K HN 0.238 nan 8.250 nan 0.000 0.479 539 L N 3.480 124.680 121.223 -0.039 0.000 2.277 539 L HA 0.162 4.502 4.340 -0.000 0.000 0.284 539 L C -0.506 176.314 176.870 -0.084 0.000 1.028 539 L CA -0.219 54.596 54.840 -0.043 0.000 0.835 539 L CB 0.851 42.885 42.059 -0.041 0.000 1.215 539 L HN 0.503 nan 8.230 nan 0.000 0.425 540 D N 6.355 126.636 120.400 -0.199 0.000 2.390 540 D HA 0.118 4.758 4.640 -0.000 0.000 0.249 540 D C -1.817 174.449 176.300 -0.057 0.000 1.144 540 D CA -1.461 52.368 54.000 -0.285 0.000 0.880 540 D CB 2.080 42.349 40.800 -0.885 0.000 1.182 540 D HN 0.391 nan 8.370 nan 0.000 0.451 541 P HA -0.146 nan 4.420 nan 0.000 0.216 541 P C 1.256 178.614 177.300 0.098 0.000 1.150 541 P CA 1.786 64.904 63.100 0.031 0.000 0.843 541 P CB 0.048 31.750 31.700 0.003 0.000 0.787 542 T N -4.923 109.719 114.554 0.147 0.000 3.035 542 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 542 T C 1.377 176.327 174.700 0.416 0.000 1.109 542 T CA 0.744 62.971 62.100 0.212 0.000 1.119 542 T CB -0.981 68.009 68.868 0.203 0.000 0.900 542 T HN -0.113 nan 8.240 nan 0.000 0.503 543 F N 1.920 121.963 119.950 0.153 0.000 2.416 543 F HA 0.509 5.036 4.527 -0.000 0.000 0.296 543 F C 2.747 178.649 175.800 0.169 0.000 1.099 543 F CA -0.882 57.300 58.000 0.303 0.000 1.427 543 F CB -1.254 37.939 39.000 0.322 0.000 1.079 543 F HN 0.258 nan 8.300 nan 0.000 0.536 544 A N 0.644 123.626 122.820 0.270 0.000 1.896 544 A HA -0.333 3.987 4.320 -0.000 0.000 0.220 544 A C 2.432 180.076 177.584 0.100 0.000 1.206 544 A CA 2.910 55.024 52.037 0.129 0.000 0.647 544 A CB -1.455 17.592 19.000 0.078 0.000 0.828 544 A HN 0.419 nan 8.150 nan 0.000 0.455 545 S N -0.027 115.735 115.700 0.104 0.000 2.462 545 S HA 0.008 4.478 4.470 -0.000 0.000 0.243 545 S C 1.820 176.491 174.600 0.119 0.000 1.003 545 S CA 1.394 59.652 58.200 0.097 0.000 0.970 545 S CB -0.707 62.539 63.200 0.077 0.000 0.762 545 S HN 1.114 nan 8.310 nan 0.000 0.510 546 A N 1.895 124.787 122.820 0.120 0.000 2.067 546 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 546 A C 2.440 180.038 177.584 0.023 0.000 1.158 546 A CA 1.675 53.752 52.037 0.066 0.000 0.661 546 A CB -1.254 17.712 19.000 -0.057 0.000 0.801 546 A HN 0.796 nan 8.150 nan 0.000 0.452 547 T N -2.084 112.485 114.554 0.024 0.000 3.081 547 T HA 0.311 4.661 4.350 -0.000 0.000 0.255 547 T C 0.616 175.366 174.700 0.084 0.000 1.113 547 T CA -0.225 61.898 62.100 0.038 0.000 1.082 547 T CB -0.573 68.291 68.868 -0.006 0.000 0.939 547 T HN 0.241 nan 8.240 nan 0.000 0.506 548 L N 2.038 123.315 121.223 0.089 0.000 2.490 548 L HA 0.294 4.634 4.340 -0.000 0.000 0.274 548 L C 0.361 177.316 176.870 0.143 0.000 1.201 548 L CA -0.419 54.480 54.840 0.098 0.000 0.869 548 L CB 0.277 42.389 42.059 0.088 0.000 1.123 548 L HN 0.198 nan 8.230 nan 0.000 0.484 549 L N 2.754 124.062 121.223 0.142 0.000 2.395 549 L HA 0.255 4.595 4.340 -0.000 0.000 0.269 549 L C 0.178 177.194 176.870 0.242 0.000 1.133 549 L CA -0.493 54.471 54.840 0.208 0.000 0.812 549 L CB 0.535 42.700 42.059 0.176 0.000 1.125 549 L HN 0.359 nan 8.230 nan 0.000 0.452 550 F N 3.139 123.218 119.950 0.214 0.000 2.635 550 F HA -0.018 4.509 4.527 -0.000 0.000 0.379 550 F C 0.328 176.250 175.800 0.203 0.000 1.094 550 F CA 0.890 59.024 58.000 0.224 0.000 1.300 550 F CB 0.200 39.399 39.000 0.331 0.000 1.035 550 F HN 0.440 nan 8.300 nan 0.000 0.581 551 Q N 5.252 124.638 119.800 -0.691 0.000 2.426 551 Q HA 0.321 4.660 4.340 -0.000 0.000 0.278 551 Q C -1.820 173.824 176.000 -0.593 0.000 1.007 551 Q CA -0.944 54.615 55.803 -0.407 0.000 0.850 551 Q CB 2.354 31.003 28.738 -0.148 0.000 1.427 551 Q HN 0.705 nan 8.270 nan 0.000 0.391 552 K N 1.547 121.777 120.400 -0.283 0.000 2.501 552 K HA 0.468 4.788 4.320 -0.000 0.000 0.252 552 K C -0.893 175.682 176.600 -0.041 0.000 0.934 552 K CA -0.601 55.585 56.287 -0.169 0.000 0.797 552 K CB 1.517 33.982 32.500 -0.059 0.000 1.270 552 K HN 0.444 nan 8.250 nan 0.000 0.431 553 D N 3.232 123.617 120.400 -0.024 0.000 2.354 553 D HA 0.166 4.806 4.640 -0.000 0.000 0.238 553 D C -1.799 174.524 176.300 0.039 0.000 1.250 553 D CA -0.441 53.564 54.000 0.009 0.000 0.911 553 D CB 0.400 41.206 40.800 0.011 0.000 1.163 553 D HN 0.392 nan 8.370 nan 0.000 0.456 554 P HA 0.145 nan 4.420 nan 0.000 0.271 554 P C -2.468 174.881 177.300 0.082 0.000 1.218 554 P CA -0.950 62.192 63.100 0.070 0.000 0.780 554 P CB -0.214 31.525 31.700 0.064 0.000 0.901 555 P HA 0.165 nan 4.420 nan 0.000 0.271 555 P C -0.918 176.451 177.300 0.114 0.000 1.216 555 P CA -0.132 63.042 63.100 0.124 0.000 0.776 555 P CB 0.519 32.316 31.700 0.162 0.000 0.881 556 A N 2.968 125.857 122.820 0.114 0.000 2.586 556 A HA 0.391 4.711 4.320 -0.000 0.000 0.320 556 A C -0.702 176.953 177.584 0.119 0.000 1.281 556 A CA -0.607 51.489 52.037 0.099 0.000 0.775 556 A CB 0.303 19.348 19.000 0.075 0.000 1.122 556 A HN 0.447 nan 8.150 nan 0.000 0.470 557 D N 2.203 122.676 120.400 0.123 0.000 2.391 557 D HA 0.477 5.117 4.640 -0.000 0.000 0.245 557 D C -0.413 175.928 176.300 0.069 0.000 1.069 557 D CA -0.114 53.960 54.000 0.123 0.000 0.831 557 D CB 2.441 43.339 40.800 0.163 0.000 1.204 557 D HN 0.547 nan 8.370 nan 0.000 0.503 558 V N -0.215 119.718 119.914 0.032 0.000 2.760 558 V HA 0.647 4.767 4.120 -0.000 0.000 0.309 558 V C -1.412 174.672 176.094 -0.016 0.000 1.077 558 V CA -0.792 61.514 62.300 0.010 0.000 0.910 558 V CB 2.121 33.949 31.823 0.008 0.000 1.008 558 V HN 0.253 nan 8.190 nan 0.000 0.424 559 Q N 4.487 124.293 119.800 0.010 0.000 2.330 559 Q HA 0.808 5.148 4.340 -0.000 0.000 0.269 559 Q C -1.121 174.951 176.000 0.120 0.000 1.022 559 Q CA -0.283 55.540 55.803 0.033 0.000 0.796 559 Q CB 2.375 31.135 28.738 0.037 0.000 1.271 559 Q HN 0.894 nan 8.270 nan 0.000 0.450 560 L N 4.087 125.378 121.223 0.113 0.000 2.362 560 L HA 0.781 5.121 4.340 -0.000 0.000 0.275 560 L C -0.847 176.158 176.870 0.225 0.000 0.998 560 L CA -0.956 53.945 54.840 0.101 0.000 0.820 560 L CB 0.694 42.756 42.059 0.006 0.000 1.270 560 L HN 0.643 nan 8.230 nan 0.000 0.415 561 F N -0.292 119.628 119.950 -0.051 0.000 2.745 561 F HA 0.551 5.078 4.527 -0.000 0.000 0.316 561 F C -0.781 174.996 175.800 -0.040 0.000 1.155 561 F CA -1.135 56.837 58.000 -0.046 0.000 0.937 561 F CB 1.445 40.414 39.000 -0.051 0.000 1.361 561 F HN 0.362 nan 8.300 nan 0.000 0.472 562 Q N 1.028 120.870 119.800 0.071 0.000 2.259 562 Q HA 0.327 4.667 4.340 -0.000 0.000 0.246 562 Q C -0.790 175.170 176.000 -0.067 0.000 0.920 562 Q CA -0.677 55.092 55.803 -0.055 0.000 0.895 562 Q CB 1.537 30.279 28.738 0.007 0.000 1.220 562 Q HN 0.675 nan 8.270 nan 0.000 0.439 563 E N 1.307 121.425 120.200 -0.136 0.000 2.349 563 E HA 0.211 4.561 4.350 -0.000 0.000 0.265 563 E C -1.002 175.584 176.600 -0.024 0.000 1.064 563 E CA -0.534 55.810 56.400 -0.094 0.000 0.886 563 E CB 0.991 30.619 29.700 -0.119 0.000 1.036 563 E HN 0.381 nan 8.360 nan 0.000 0.413 564 V N 1.316 121.229 119.914 -0.002 0.000 3.003 564 V HA 0.486 4.606 4.120 -0.000 0.000 0.305 564 V C -2.068 174.016 176.094 -0.017 0.000 1.078 564 V CA -1.821 60.477 62.300 -0.004 0.000 1.083 564 V CB 0.238 32.060 31.823 -0.001 0.000 1.039 564 V HN 0.712 nan 8.190 nan 0.000 0.481 565 P HA 0.019 nan 4.420 nan 0.000 0.264 565 P C 0.427 177.716 177.300 -0.018 0.000 1.173 565 P CA 0.208 63.297 63.100 -0.018 0.000 0.761 565 P CB 0.350 32.039 31.700 -0.018 0.000 0.794 566 K N 2.955 123.345 120.400 -0.018 0.000 2.113 566 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 566 K C 1.680 178.273 176.600 -0.013 0.000 1.047 566 K CA 2.169 58.446 56.287 -0.017 0.000 0.928 566 K CB -0.886 31.605 32.500 -0.016 0.000 0.716 566 K HN 0.634 nan 8.250 nan 0.000 0.446 567 G N -0.055 108.739 108.800 -0.011 0.000 3.371 567 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.248 567 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.248 567 G C -0.369 174.525 174.900 -0.009 0.000 1.161 567 G CA -0.369 44.726 45.100 -0.008 0.000 0.796 567 G HN 0.372 nan 8.290 nan 0.000 0.539 568 Q N 1.278 121.069 119.800 -0.014 0.000 2.313 568 Q HA 0.300 4.640 4.340 -0.000 0.000 0.266 568 Q C 0.655 176.645 176.000 -0.017 0.000 0.989 568 Q CA -0.319 55.471 55.803 -0.020 0.000 0.890 568 Q CB 0.496 29.217 28.738 -0.029 0.000 1.200 568 Q HN 0.173 nan 8.270 nan 0.000 0.396 569 S N 2.704 118.393 115.700 -0.018 0.000 2.599 569 S HA -0.128 4.342 4.470 -0.000 0.000 0.303 569 S C 0.889 175.479 174.600 -0.016 0.000 1.267 569 S CA 0.082 58.274 58.200 -0.014 0.000 1.055 569 S CB 0.640 63.830 63.200 -0.016 0.000 0.790 569 S HN 0.852 nan 8.310 nan 0.000 0.500 570 E N 2.818 123.012 120.200 -0.010 0.000 2.268 570 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 570 E C 1.402 177.995 176.600 -0.011 0.000 0.995 570 E CA 1.384 57.780 56.400 -0.007 0.000 0.836 570 E CB 0.058 29.757 29.700 -0.002 0.000 0.763 570 E HN 0.827 nan 8.360 nan 0.000 0.491 571 E N 0.061 120.251 120.200 -0.018 0.000 2.479 571 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 571 E C -0.271 176.306 176.600 -0.038 0.000 1.049 571 E CA -0.019 56.366 56.400 -0.026 0.000 0.870 571 E CB 0.240 29.921 29.700 -0.031 0.000 0.944 571 E HN 0.081 nan 8.360 nan 0.000 0.492 572 D N 0.735 121.111 120.400 -0.041 0.000 2.396 572 D HA 0.069 4.709 4.640 -0.000 0.000 0.225 572 D C 0.796 177.061 176.300 -0.058 0.000 1.121 572 D CA -0.238 53.724 54.000 -0.063 0.000 0.853 572 D CB 0.883 41.639 40.800 -0.074 0.000 1.043 572 D HN -0.155 nan 8.370 nan 0.000 0.500 573 M N 2.441 122.006 119.600 -0.058 0.000 2.514 573 M HA 0.068 4.548 4.480 -0.000 0.000 0.258 573 M C 0.413 176.679 176.300 -0.057 0.000 1.119 573 M CA 0.140 55.415 55.300 -0.041 0.000 1.111 573 M CB -0.397 32.188 32.600 -0.026 0.000 1.390 573 M HN 0.140 nan 8.290 nan 0.000 0.475 574 V N 1.762 121.614 119.914 -0.103 0.000 2.539 574 V HA 0.244 4.364 4.120 -0.000 0.000 0.300 574 V C 1.563 177.605 176.094 -0.085 0.000 1.019 574 V CA 1.177 63.401 62.300 -0.126 0.000 1.160 574 V CB -0.512 31.140 31.823 -0.286 0.000 0.901 574 V HN 0.852 nan 8.190 nan 0.000 0.481 575 G N 4.476 113.248 108.800 -0.048 0.000 2.217 575 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.246 575 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.246 575 G C 0.308 175.223 174.900 0.026 0.000 0.990 575 G CA 0.058 45.152 45.100 -0.009 0.000 0.627 575 G HN 0.623 nan 8.290 nan 0.000 0.522 576 R N 1.167 121.672 120.500 0.008 0.000 2.428 576 R HA 0.431 4.771 4.340 -0.000 0.000 0.294 576 R C -2.160 174.141 176.300 0.002 0.000 1.000 576 R CA -1.607 54.515 56.100 0.037 0.000 0.960 576 R CB 1.359 31.677 30.300 0.030 0.000 1.076 576 R HN 0.044 nan 8.270 nan 0.000 0.475 577 P HA -0.020 nan 4.420 nan 0.000 0.232 577 P C -0.565 176.759 177.300 0.041 0.000 1.738 577 P CA -0.097 62.957 63.100 -0.077 0.000 0.948 577 P CB -0.122 31.512 31.700 -0.111 0.000 1.943 578 L N 3.723 124.970 121.223 0.039 0.000 2.433 578 L HA 0.277 4.616 4.340 -0.000 0.000 0.275 578 L C -2.039 174.915 176.870 0.141 0.000 1.128 578 L CA -2.023 52.871 54.840 0.090 0.000 0.875 578 L CB -0.227 41.858 42.059 0.043 0.000 1.171 578 L HN 0.027 nan 8.230 nan 0.000 0.463 579 P HA -0.075 nan 4.420 nan 0.000 0.268 579 P C -0.519 176.911 177.300 0.216 0.000 1.208 579 P CA -0.129 63.175 63.100 0.341 0.000 0.777 579 P CB 0.265 32.075 31.700 0.184 0.000 0.875 580 H N 2.717 121.866 119.070 0.133 0.000 3.192 580 H HA -0.052 4.504 4.556 -0.000 0.000 0.295 580 H C 1.307 176.670 175.328 0.057 0.000 0.943 580 H CA 0.555 56.647 56.048 0.073 0.000 1.416 580 H CB 0.171 29.972 29.762 0.065 0.000 1.434 580 H HN 0.340 nan 8.280 nan 0.000 0.565 581 L N 4.267 125.545 121.223 0.093 0.000 2.089 581 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 581 L C 2.224 179.223 176.870 0.214 0.000 1.079 581 L CA 1.830 56.742 54.840 0.118 0.000 0.758 581 L CB -0.427 41.633 42.059 0.002 0.000 0.891 581 L HN 0.646 nan 8.230 nan 0.000 0.433 582 A N -1.095 121.972 122.820 0.412 0.000 2.345 582 A HA 0.419 4.739 4.320 -0.000 0.000 0.225 582 A C 2.244 179.887 177.584 0.098 0.000 1.243 582 A CA 0.626 52.793 52.037 0.216 0.000 0.875 582 A CB -0.207 18.907 19.000 0.191 0.000 0.929 582 A HN 0.304 nan 8.150 nan 0.000 0.502 583 A N 0.752 123.637 122.820 0.109 0.000 1.917 583 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 583 A C 1.713 179.306 177.584 0.016 0.000 1.182 583 A CA 2.079 54.121 52.037 0.009 0.000 0.633 583 A CB -0.424 18.598 19.000 0.036 0.000 0.819 583 A HN 0.436 nan 8.150 nan 0.000 0.448 584 D N -0.372 120.053 120.400 0.041 0.000 2.097 584 D HA -0.117 4.522 4.640 -0.000 0.000 0.197 584 D C 2.017 178.340 176.300 0.040 0.000 0.984 584 D CA 1.521 55.544 54.000 0.037 0.000 0.826 584 D CB -0.402 40.426 40.800 0.047 0.000 0.973 584 D HN 0.524 nan 8.370 nan 0.000 0.460 585 M N 0.120 119.749 119.600 0.048 0.000 2.374 585 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 585 M C 1.963 178.293 176.300 0.050 0.000 1.067 585 M CA 1.028 56.356 55.300 0.047 0.000 1.103 585 M CB -0.107 32.524 32.600 0.051 0.000 1.402 585 M HN -0.008 nan 8.290 nan 0.000 0.444 586 Q N 0.072 119.900 119.800 0.046 0.000 2.187 586 Q HA 0.016 4.356 4.340 -0.000 0.000 0.199 586 Q C 2.276 178.306 176.000 0.051 0.000 0.957 586 Q CA 1.276 57.121 55.803 0.071 0.000 0.857 586 Q CB -0.048 28.712 28.738 0.038 0.000 0.929 586 Q HN 0.581 nan 8.270 nan 0.000 0.453 587 A N 0.893 123.732 122.820 0.031 0.000 1.970 587 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 587 A C 2.074 179.675 177.584 0.029 0.000 1.170 587 A CA 1.326 53.382 52.037 0.032 0.000 0.645 587 A CB -0.165 18.855 19.000 0.032 0.000 0.816 587 A HN 0.359 nan 8.150 nan 0.000 0.447 588 S N -1.875 113.842 115.700 0.028 0.000 2.575 588 S HA 0.381 4.851 4.470 -0.000 0.000 0.215 588 S C 1.383 175.988 174.600 0.008 0.000 0.966 588 S CA 0.939 59.149 58.200 0.016 0.000 0.911 588 S CB -0.278 62.936 63.200 0.023 0.000 0.780 588 S HN 1.810 nan 8.310 nan 0.000 0.514 589 G N 1.324 110.136 108.800 0.020 0.000 2.155 589 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 589 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 589 G C 0.519 175.443 174.900 0.039 0.000 0.983 589 G CA 0.594 45.707 45.100 0.021 0.000 0.676 589 G HN 0.597 nan 8.290 nan 0.000 0.528 590 E N 0.078 120.302 120.200 0.040 0.000 2.230 590 E HA 0.370 4.720 4.350 -0.000 0.000 0.192 590 E C 1.847 178.472 176.600 0.042 0.000 0.987 590 E CA 0.317 56.737 56.400 0.034 0.000 0.841 590 E CB 0.096 29.811 29.700 0.026 0.000 0.783 590 E HN 0.789 nan 8.360 nan 0.000 0.481 591 A N 1.640 124.494 122.820 0.057 0.000 2.548 591 A HA 0.134 4.454 4.320 -0.000 0.000 0.247 591 A C 0.138 177.727 177.584 0.009 0.000 1.067 591 A CA -0.016 52.025 52.037 0.006 0.000 0.757 591 A CB 0.235 19.232 19.000 -0.005 0.000 0.996 591 A HN -0.002 nan 8.150 nan 0.000 0.504 592 V N 4.411 124.280 119.914 -0.075 0.000 2.383 592 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 592 V C -0.433 175.584 176.094 -0.128 0.000 1.036 592 V CA -0.174 62.114 62.300 -0.021 0.000 0.889 592 V CB 0.020 31.831 31.823 -0.020 0.000 0.985 592 V HN 0.745 nan 8.190 nan 0.000 0.459 593 Y N 1.669 122.020 120.300 0.086 0.000 2.519 593 Y HA 0.343 4.893 4.550 -0.000 0.000 0.324 593 Y C 1.614 177.549 175.900 0.058 0.000 1.214 593 Y CA -0.336 57.824 58.100 0.100 0.000 1.260 593 Y CB 0.606 39.193 38.460 0.212 0.000 1.311 593 Y HN 0.665 nan 8.280 nan 0.000 0.505 594 C N 0.869 120.282 119.300 0.189 0.000 2.303 594 C HA -0.327 4.133 4.460 -0.000 0.000 0.273 594 C C 2.587 177.626 174.990 0.081 0.000 1.154 594 C CA 2.581 61.666 59.018 0.111 0.000 1.784 594 C CB -0.824 26.972 27.740 0.092 0.000 1.993 594 C HN 1.105 nan 8.230 nan 0.000 0.430 595 D N -0.392 120.071 120.400 0.106 0.000 2.351 595 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 595 D C 1.480 177.820 176.300 0.067 0.000 0.968 595 D CA 1.067 55.114 54.000 0.079 0.000 0.899 595 D CB -0.343 40.514 40.800 0.095 0.000 0.907 595 D HN 0.564 nan 8.370 nan 0.000 0.514 596 D N -0.341 120.121 120.400 0.103 0.000 2.317 596 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 596 D C 0.603 176.899 176.300 -0.007 0.000 0.966 596 D CA 0.155 54.199 54.000 0.072 0.000 0.876 596 D CB 0.055 40.938 40.800 0.139 0.000 0.927 596 D HN 0.375 nan 8.370 nan 0.000 0.519 597 I N 2.563 123.103 120.570 -0.049 0.000 2.683 597 I HA 0.020 4.190 4.170 -0.000 0.000 0.286 597 I C -1.975 174.047 176.117 -0.159 0.000 1.175 597 I CA -1.530 59.681 61.300 -0.147 0.000 1.429 597 I CB 0.097 37.937 38.000 -0.266 0.000 1.371 597 I HN -0.317 nan 8.210 nan 0.000 0.569 598 P HA 0.073 nan 4.420 nan 0.000 0.265 598 P C -0.439 176.723 177.300 -0.230 0.000 1.187 598 P CA 0.032 63.022 63.100 -0.184 0.000 0.766 598 P CB 0.439 32.019 31.700 -0.200 0.000 0.820 599 R N 2.038 122.448 120.500 -0.149 0.000 2.582 599 R HA 0.236 4.576 4.340 -0.000 0.000 0.271 599 R C -0.006 176.220 176.300 -0.123 0.000 1.078 599 R CA -0.200 55.840 56.100 -0.100 0.000 1.127 599 R CB 0.196 30.479 30.300 -0.028 0.000 1.038 599 R HN 0.438 nan 8.270 nan 0.000 0.500 600 Y N 1.263 121.544 120.300 -0.032 0.000 2.326 600 Y HA -0.075 4.475 4.550 -0.000 0.000 0.333 600 Y C 1.733 177.623 175.900 -0.018 0.000 1.240 600 Y CA 0.124 58.210 58.100 -0.023 0.000 1.365 600 Y CB 0.826 39.280 38.460 -0.011 0.000 1.289 600 Y HN 0.673 nan 8.280 nan 0.000 0.548 601 E N 0.353 120.654 120.200 0.169 0.000 2.273 601 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 601 E C 0.379 177.023 176.600 0.073 0.000 1.002 601 E CA 1.635 58.086 56.400 0.084 0.000 0.828 601 E CB -0.258 29.481 29.700 0.066 0.000 0.747 601 E HN 0.708 nan 8.360 nan 0.000 0.491 602 N N 0.723 119.479 118.700 0.094 0.000 2.282 602 N HA 0.034 4.774 4.740 -0.000 0.000 0.240 602 N C -0.488 175.055 175.510 0.055 0.000 1.182 602 N CA -0.251 52.828 53.050 0.050 0.000 0.874 602 N CB 0.336 38.832 38.487 0.014 0.000 1.126 602 N HN 0.190 nan 8.380 nan 0.000 0.516 603 E N 0.824 121.081 120.200 0.095 0.000 2.366 603 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 603 E C -0.718 175.916 176.600 0.057 0.000 1.051 603 E CA -0.360 56.096 56.400 0.093 0.000 0.884 603 E CB 0.917 30.697 29.700 0.133 0.000 1.006 603 E HN 0.217 nan 8.360 nan 0.000 0.417 604 L N 1.379 122.632 121.223 0.049 0.000 2.301 604 L HA 0.446 4.786 4.340 -0.000 0.000 0.264 604 L C -0.381 176.516 176.870 0.046 0.000 1.016 604 L CA -0.897 53.965 54.840 0.037 0.000 0.821 604 L CB 2.226 44.294 42.059 0.014 0.000 1.346 604 L HN 0.440 nan 8.230 nan 0.000 0.429 605 S N 1.346 117.074 115.700 0.046 0.000 2.549 605 S HA 0.695 5.165 4.470 -0.000 0.000 0.297 605 S C -0.835 173.802 174.600 0.061 0.000 1.115 605 S CA -0.521 57.712 58.200 0.056 0.000 1.059 605 S CB 1.802 65.037 63.200 0.058 0.000 1.046 605 S HN 0.424 nan 8.310 nan 0.000 0.506 606 L N 2.696 123.962 121.223 0.072 0.000 2.370 606 L HA 0.778 5.118 4.340 -0.000 0.000 0.266 606 L C -0.811 176.118 176.870 0.098 0.000 1.002 606 L CA -0.725 54.164 54.840 0.082 0.000 0.818 606 L CB 1.705 43.813 42.059 0.082 0.000 1.325 606 L HN 0.694 nan 8.230 nan 0.000 0.418 607 R N 3.988 124.557 120.500 0.116 0.000 2.621 607 R HA 0.574 4.914 4.340 -0.000 0.000 0.284 607 R C -1.759 174.631 176.300 0.149 0.000 0.998 607 R CA -0.660 55.516 56.100 0.126 0.000 0.895 607 R CB 1.671 32.047 30.300 0.127 0.000 1.195 607 R HN 0.708 nan 8.270 nan 0.000 0.450 608 L N 3.622 124.936 121.223 0.151 0.000 2.371 608 L HA 0.387 4.727 4.340 -0.000 0.000 0.272 608 L C -0.275 176.706 176.870 0.184 0.000 1.124 608 L CA -0.805 54.143 54.840 0.180 0.000 0.816 608 L CB 1.496 43.657 42.059 0.169 0.000 1.129 608 L HN 0.309 nan 8.230 nan 0.000 0.448 609 V N 1.691 121.733 119.914 0.214 0.000 2.394 609 V HA 0.450 4.570 4.120 -0.000 0.000 0.282 609 V C 0.299 176.515 176.094 0.204 0.000 1.031 609 V CA -0.384 62.044 62.300 0.213 0.000 0.881 609 V CB 1.670 33.663 31.823 0.285 0.000 0.982 609 V HN 0.945 nan 8.190 nan 0.000 0.451 610 T N 1.065 115.728 114.554 0.182 0.000 2.924 610 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 610 T C -0.013 174.808 174.700 0.200 0.000 1.045 610 T CA -0.673 61.539 62.100 0.187 0.000 1.015 610 T CB 1.738 70.707 68.868 0.168 0.000 1.103 610 T HN 0.526 nan 8.240 nan 0.000 0.496 611 S N 0.361 116.192 115.700 0.218 0.000 2.560 611 S HA 0.288 4.758 4.470 -0.000 0.000 0.284 611 S C 1.199 175.879 174.600 0.134 0.000 1.327 611 S CA 0.070 58.418 58.200 0.246 0.000 1.055 611 S CB -0.076 63.270 63.200 0.242 0.000 0.868 611 S HN 0.954 nan 8.310 nan 0.000 0.506 612 T N 2.474 117.051 114.554 0.040 0.000 3.129 612 T HA 0.388 4.737 4.350 -0.000 0.000 0.267 612 T C 0.139 174.705 174.700 -0.224 0.000 1.018 612 T CA -0.519 61.547 62.100 -0.057 0.000 0.903 612 T CB 0.043 68.913 68.868 0.003 0.000 1.067 612 T HN 0.362 nan 8.240 nan 0.000 0.549 613 R N 0.593 120.896 120.500 -0.329 0.000 2.599 613 R HA 0.759 5.099 4.340 -0.000 0.000 0.295 613 R C 0.943 177.190 176.300 -0.088 0.000 0.963 613 R CA -0.467 55.450 56.100 -0.306 0.000 0.883 613 R CB 1.301 31.262 30.300 -0.564 0.000 1.171 613 R HN 0.145 nan 8.270 nan 0.000 0.450 614 A N 1.329 124.126 122.820 -0.038 0.000 2.015 614 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 614 A C 0.413 178.068 177.584 0.118 0.000 1.163 614 A CA 1.356 53.408 52.037 0.025 0.000 0.646 614 A CB -0.142 18.862 19.000 0.006 0.000 0.806 614 A HN 0.749 nan 8.150 nan 0.000 0.448 615 H N -2.551 116.506 119.070 -0.022 0.000 3.174 615 H HA 0.488 5.044 4.556 -0.000 0.000 0.307 615 H C -1.153 174.184 175.328 0.015 0.000 1.116 615 H CA -0.215 55.842 56.048 0.015 0.000 1.489 615 H CB 0.653 30.416 29.762 0.002 0.000 2.104 615 H HN 0.519 nan 8.280 nan 0.000 0.414 616 A N 4.170 127.030 122.820 0.067 0.000 2.544 616 A HA 0.396 4.716 4.320 -0.000 0.000 0.291 616 A C -1.589 176.050 177.584 0.090 0.000 1.055 616 A CA -1.016 51.013 52.037 -0.013 0.000 0.651 616 A CB 1.568 20.596 19.000 0.047 0.000 1.296 616 A HN 0.527 nan 8.150 nan 0.000 0.431 617 K N 0.541 120.981 120.400 0.065 0.000 2.174 617 K HA 0.572 4.892 4.320 -0.000 0.000 0.275 617 K C -0.856 175.805 176.600 0.102 0.000 1.015 617 K CA -0.148 56.182 56.287 0.072 0.000 0.933 617 K CB 1.208 33.725 32.500 0.028 0.000 1.025 617 K HN 0.505 nan 8.250 nan 0.000 0.463 618 I N 4.115 124.717 120.570 0.053 0.000 2.322 618 I HA 0.029 4.199 4.170 -0.000 0.000 0.292 618 I C 1.229 177.315 176.117 -0.052 0.000 1.060 618 I CA -0.125 61.151 61.300 -0.039 0.000 1.309 618 I CB 0.683 38.651 38.000 -0.052 0.000 1.415 618 I HN 0.501 nan 8.210 nan 0.000 0.492 619 K N 3.768 124.122 120.400 -0.077 0.000 2.211 619 K HA 0.087 4.407 4.320 -0.000 0.000 0.201 619 K C 0.575 177.131 176.600 -0.073 0.000 1.052 619 K CA 0.561 56.815 56.287 -0.054 0.000 0.973 619 K CB 0.285 32.764 32.500 -0.037 0.000 0.766 619 K HN 0.761 nan 8.250 nan 0.000 0.466 620 S N -0.372 115.256 115.700 -0.121 0.000 2.595 620 S HA 0.552 5.022 4.470 -0.000 0.000 0.270 620 S C -1.148 173.358 174.600 -0.156 0.000 1.145 620 S CA -1.062 57.071 58.200 -0.112 0.000 0.825 620 S CB 1.364 64.509 63.200 -0.092 0.000 1.107 620 S HN 0.050 nan 8.310 nan 0.000 0.461 621 I N 1.539 122.029 120.570 -0.133 0.000 2.548 621 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 621 I C -1.566 174.441 176.117 -0.184 0.000 1.103 621 I CA -0.376 60.819 61.300 -0.174 0.000 1.049 621 I CB 2.021 39.938 38.000 -0.138 0.000 1.232 621 I HN 0.728 nan 8.210 nan 0.000 0.429 622 D N 4.083 124.355 120.400 -0.212 0.000 2.308 622 D HA 0.334 4.974 4.640 -0.000 0.000 0.242 622 D C 0.210 176.352 176.300 -0.264 0.000 1.059 622 D CA -0.217 53.666 54.000 -0.195 0.000 0.830 622 D CB 2.345 43.058 40.800 -0.146 0.000 1.161 622 D HN 0.457 nan 8.370 nan 0.000 0.494 623 T N 1.417 115.817 114.554 -0.258 0.000 3.022 623 T HA -0.000 4.350 4.350 -0.000 0.000 0.250 623 T C 1.906 176.448 174.700 -0.264 0.000 1.060 623 T CA 0.104 62.021 62.100 -0.306 0.000 1.013 623 T CB 0.222 68.930 68.868 -0.268 0.000 0.982 623 T HN 0.359 nan 8.240 nan 0.000 0.508 624 S N 2.182 117.767 115.700 -0.191 0.000 2.457 624 S HA -0.271 4.199 4.470 -0.000 0.000 0.269 624 S C 1.945 176.431 174.600 -0.190 0.000 1.139 624 S CA 1.592 59.695 58.200 -0.162 0.000 1.176 624 S CB -0.307 62.821 63.200 -0.120 0.000 1.088 624 S HN 0.500 nan 8.310 nan 0.000 0.443 625 E N 0.856 120.940 120.200 -0.193 0.000 2.158 625 E HA 0.134 4.484 4.350 -0.000 0.000 0.191 625 E C 2.380 178.821 176.600 -0.265 0.000 0.982 625 E CA 0.902 57.190 56.400 -0.187 0.000 0.823 625 E CB -0.588 29.029 29.700 -0.139 0.000 0.766 625 E HN 0.538 nan 8.360 nan 0.000 0.468 626 A N 1.696 124.297 122.820 -0.365 0.000 1.902 626 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 626 A C 2.024 179.020 177.584 -0.980 0.000 1.181 626 A CA 1.464 53.167 52.037 -0.556 0.000 0.623 626 A CB -0.372 18.292 19.000 -0.560 0.000 0.818 626 A HN 0.109 nan 8.150 nan 0.000 0.443 627 K N -0.177 119.678 120.400 -0.908 0.000 2.360 627 K HA -0.098 4.222 4.320 -0.000 0.000 0.201 627 K C 1.201 177.596 176.600 -0.341 0.000 1.046 627 K CA 1.259 57.105 56.287 -0.734 0.000 0.940 627 K CB -0.067 32.236 32.500 -0.329 0.000 0.748 627 K HN 0.444 nan 8.250 nan 0.000 0.465 628 K N 0.447 120.674 120.400 -0.287 0.000 2.374 628 K HA 0.095 4.415 4.320 -0.000 0.000 0.196 628 K C -0.272 176.248 176.600 -0.133 0.000 1.023 628 K CA -0.041 56.151 56.287 -0.157 0.000 1.103 628 K CB 0.774 33.198 32.500 -0.127 0.000 0.848 628 K HN -0.114 nan 8.250 nan 0.000 0.528 629 V N 3.155 122.973 119.914 -0.161 0.000 2.546 629 V HA 0.154 4.274 4.120 -0.000 0.000 0.284 629 V C -2.268 173.730 176.094 -0.159 0.000 1.050 629 V CA -2.199 60.015 62.300 -0.143 0.000 0.981 629 V CB 0.956 32.717 31.823 -0.103 0.000 0.990 629 V HN 0.009 nan 8.190 nan 0.000 0.474 630 P HA 0.240 nan 4.420 nan 0.000 0.268 630 P C 0.891 177.961 177.300 -0.384 0.000 1.204 630 P CA 1.157 64.064 63.100 -0.323 0.000 0.768 630 P CB 0.624 32.127 31.700 -0.328 0.000 0.842 631 G N 2.158 110.939 108.800 -0.032 0.000 2.162 631 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 631 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 631 G C 0.049 175.017 174.900 0.113 0.000 0.976 631 G CA -0.401 44.763 45.100 0.106 0.000 0.655 631 G HN 0.547 nan 8.290 nan 0.000 0.533 632 F N 1.155 121.088 119.950 -0.028 0.000 2.543 632 F HA 0.482 5.009 4.527 -0.000 0.000 0.375 632 F C 1.240 177.052 175.800 0.019 0.000 1.075 632 F CA 0.494 58.495 58.000 0.002 0.000 1.225 632 F CB 1.123 40.111 39.000 -0.020 0.000 1.099 632 F HN -0.098 nan 8.300 nan 0.000 0.561 633 V N 4.943 124.401 119.914 -0.759 0.000 2.627 633 V HA 0.063 4.183 4.120 -0.000 0.000 0.239 633 V C 0.528 176.164 176.094 -0.764 0.000 1.077 633 V CA 1.216 63.192 62.300 -0.541 0.000 1.103 633 V CB 0.179 31.826 31.823 -0.293 0.000 0.802 633 V HN 1.045 nan 8.190 nan 0.000 0.482 634 C N -2.248 116.388 119.300 -1.105 0.000 3.211 634 C HA 0.640 5.100 4.460 -0.000 0.000 0.350 634 C C -1.569 173.319 174.990 -0.170 0.000 1.413 634 C CA -1.391 57.300 59.018 -0.544 0.000 1.203 634 C CB 0.970 28.597 27.740 -0.189 0.000 1.506 634 C HN 0.309 nan 8.230 nan 0.000 0.448 635 F N 2.691 122.647 119.950 0.011 0.000 2.539 635 F HA 0.801 5.328 4.527 -0.000 0.000 0.328 635 F C -0.361 175.406 175.800 -0.055 0.000 1.148 635 F CA -1.081 56.949 58.000 0.049 0.000 0.940 635 F CB 0.971 40.062 39.000 0.153 0.000 1.194 635 F HN 0.847 nan 8.300 nan 0.000 0.438 636 I N 2.919 123.038 120.570 -0.753 0.000 2.676 636 I HA 0.895 5.065 4.170 -0.000 0.000 0.309 636 I C -0.528 174.770 176.117 -1.364 0.000 0.990 636 I CA -0.613 60.237 61.300 -0.751 0.000 1.168 636 I CB 1.790 39.550 38.000 -0.401 0.000 1.343 636 I HN 0.659 nan 8.210 nan 0.000 0.482 637 S N 2.034 117.159 115.700 -0.958 0.000 2.727 637 S HA 0.623 5.093 4.470 -0.000 0.000 0.278 637 S C 0.606 174.988 174.600 -0.364 0.000 1.186 637 S CA -0.311 57.334 58.200 -0.925 0.000 0.836 637 S CB 0.998 63.910 63.200 -0.480 0.000 1.186 637 S HN 0.980 nan 8.310 nan 0.000 0.499 638 A N 0.799 123.573 122.820 -0.077 0.000 2.009 638 A HA -0.173 4.147 4.320 -0.000 0.000 0.222 638 A C 1.482 179.100 177.584 0.057 0.000 1.175 638 A CA 2.238 54.347 52.037 0.119 0.000 0.651 638 A CB -1.243 17.819 19.000 0.103 0.000 0.815 638 A HN 0.808 nan 8.150 nan 0.000 0.459 639 D N -0.283 120.119 120.400 0.004 0.000 2.371 639 D HA -0.064 4.576 4.640 -0.000 0.000 0.221 639 D C 0.595 176.907 176.300 0.020 0.000 0.986 639 D CA 0.781 54.790 54.000 0.014 0.000 0.899 639 D CB -0.157 40.649 40.800 0.010 0.000 0.902 639 D HN 0.493 nan 8.370 nan 0.000 0.530 640 D N 0.400 120.808 120.400 0.013 0.000 2.354 640 D HA -0.017 4.623 4.640 -0.000 0.000 0.209 640 D C 0.870 177.224 176.300 0.090 0.000 1.015 640 D CA 0.108 54.137 54.000 0.048 0.000 0.867 640 D CB 1.146 41.950 40.800 0.005 0.000 0.933 640 D HN 0.092 nan 8.370 nan 0.000 0.520 641 V N 1.078 121.039 119.914 0.078 0.000 2.485 641 V HA 0.118 4.238 4.120 -0.000 0.000 0.287 641 V C -1.188 174.896 176.094 -0.016 0.000 1.022 641 V CA -0.938 61.381 62.300 0.031 0.000 1.067 641 V CB 0.983 32.827 31.823 0.035 0.000 0.967 641 V HN -0.113 nan 8.190 nan 0.000 0.479 642 P HA 0.192 nan 4.420 nan 0.000 0.230 642 P C 0.940 178.185 177.300 -0.092 0.000 1.168 642 P CA 1.182 64.225 63.100 -0.094 0.000 0.793 642 P CB 0.533 32.098 31.700 -0.225 0.000 0.851 643 G N 0.139 108.869 108.800 -0.116 0.000 3.387 643 G HA2 0.229 4.189 3.960 -0.000 0.000 0.195 643 G HA3 0.229 4.189 3.960 -0.000 0.000 0.195 643 G C -0.503 174.360 174.900 -0.062 0.000 1.853 643 G CA 0.024 45.071 45.100 -0.087 0.000 0.879 643 G HN 0.254 nan 8.290 nan 0.000 0.651 644 S N -0.478 115.181 115.700 -0.069 0.000 2.451 644 S HA 0.297 4.767 4.470 -0.000 0.000 0.301 644 S C 0.435 174.989 174.600 -0.076 0.000 1.116 644 S CA -0.573 57.589 58.200 -0.063 0.000 1.093 644 S CB 1.415 64.575 63.200 -0.067 0.000 1.017 644 S HN 0.421 nan 8.310 nan 0.000 0.482 645 N N 3.614 122.282 118.700 -0.053 0.000 2.336 645 N HA 0.239 4.979 4.740 -0.000 0.000 0.189 645 N C -0.425 175.038 175.510 -0.078 0.000 1.113 645 N CA 0.178 53.197 53.050 -0.052 0.000 0.858 645 N CB -0.046 38.442 38.487 0.001 0.000 0.970 645 N HN 0.650 nan 8.380 nan 0.000 0.471 646 I N 0.094 120.609 120.570 -0.091 0.000 2.315 646 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 646 I C 0.552 176.549 176.117 -0.200 0.000 1.006 646 I CA -0.279 60.957 61.300 -0.107 0.000 1.265 646 I CB 1.536 39.493 38.000 -0.071 0.000 1.387 646 I HN -0.059 nan 8.210 nan 0.000 0.475 647 T N 3.644 118.038 114.554 -0.267 0.000 2.591 647 T HA 0.847 5.197 4.350 -0.000 0.000 0.274 647 T C -0.451 173.977 174.700 -0.453 0.000 0.945 647 T CA 0.117 61.901 62.100 -0.527 0.000 1.087 647 T CB 1.511 69.997 68.868 -0.635 0.000 1.416 647 T HN 1.068 nan 8.240 nan 0.000 0.514 648 G N 0.674 109.076 108.800 -0.664 0.000 2.692 648 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.686 648 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.686 648 G C 0.321 175.324 174.900 0.172 0.000 1.243 648 G CA -0.186 44.846 45.100 -0.112 0.000 0.782 648 G HN 0.782 nan 8.290 nan 0.000 0.625 649 I N 0.349 121.108 120.570 0.315 0.000 2.335 649 I HA -0.095 4.075 4.170 -0.000 0.000 0.251 649 I C 2.357 178.562 176.117 0.146 0.000 1.129 649 I CA 1.994 63.459 61.300 0.274 0.000 1.402 649 I CB -0.074 38.026 38.000 0.167 0.000 1.069 649 I HN 0.627 nan 8.210 nan 0.000 0.424 650 C N 0.579 119.921 119.300 0.069 0.000 2.563 650 C HA 0.336 4.796 4.460 -0.000 0.000 0.307 650 C C 0.918 175.917 174.990 0.014 0.000 1.371 650 C CA -0.650 58.387 59.018 0.032 0.000 1.772 650 C CB -2.364 25.370 27.740 -0.010 0.000 2.283 650 C HN 0.554 nan 8.230 nan 0.000 0.570 651 N N 1.662 120.361 118.700 -0.001 0.000 2.708 651 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 651 N C 0.477 175.972 175.510 -0.026 0.000 1.017 651 N CA 0.799 53.826 53.050 -0.039 0.000 0.742 651 N CB -0.352 38.123 38.487 -0.019 0.000 0.943 651 N HN 0.578 nan 8.380 nan 0.000 0.539 652 D N -0.101 120.281 120.400 -0.029 0.000 2.262 652 D HA -0.015 4.625 4.640 -0.000 0.000 0.212 652 D C 0.967 177.260 176.300 -0.012 0.000 0.964 652 D CA 0.933 54.928 54.000 -0.009 0.000 0.875 652 D CB 0.395 41.179 40.800 -0.027 0.000 0.996 652 D HN 0.745 nan 8.370 nan 0.000 0.497 653 E N -0.204 119.969 120.200 -0.045 0.000 2.334 653 E HA 0.409 4.759 4.350 -0.000 0.000 0.256 653 E C -0.530 176.046 176.600 -0.040 0.000 0.958 653 E CA -0.768 55.612 56.400 -0.033 0.000 0.821 653 E CB 1.434 31.104 29.700 -0.050 0.000 1.269 653 E HN -0.132 nan 8.360 nan 0.000 0.413 654 T N -1.776 112.791 114.554 0.022 0.000 2.943 654 T HA 0.284 4.634 4.350 -0.000 0.000 0.284 654 T C 1.006 175.672 174.700 -0.057 0.000 1.015 654 T CA -0.777 61.330 62.100 0.012 0.000 1.042 654 T CB 1.504 70.434 68.868 0.104 0.000 1.055 654 T HN 0.283 nan 8.240 nan 0.000 0.500 655 V N -0.004 119.823 119.914 -0.145 0.000 2.407 655 V HA 0.179 4.299 4.120 -0.000 0.000 0.245 655 V C 0.016 175.819 176.094 -0.486 0.000 1.041 655 V CA 1.106 63.192 62.300 -0.357 0.000 1.040 655 V CB -0.640 30.939 31.823 -0.406 0.000 0.671 655 V HN 0.783 nan 8.190 nan 0.000 0.455 656 F N -0.615 119.329 119.950 -0.010 0.000 2.547 656 F HA 0.733 5.260 4.527 -0.000 0.000 0.316 656 F C 0.383 176.164 175.800 -0.031 0.000 1.121 656 F CA -1.399 56.588 58.000 -0.023 0.000 0.911 656 F CB 1.031 39.997 39.000 -0.057 0.000 1.179 656 F HN -0.047 nan 8.300 nan 0.000 0.443 657 A N 3.265 126.146 122.820 0.101 0.000 2.565 657 A HA 0.276 4.596 4.320 -0.000 0.000 0.237 657 A C 0.003 177.588 177.584 0.003 0.000 1.053 657 A CA 0.094 52.068 52.037 -0.104 0.000 0.755 657 A CB -0.040 18.686 19.000 -0.455 0.000 0.980 657 A HN 0.729 nan 8.150 nan 0.000 0.506 658 K N 2.088 122.502 120.400 0.024 0.000 2.483 658 K HA 0.382 4.702 4.320 -0.000 0.000 0.256 658 K C -0.446 176.178 176.600 0.041 0.000 0.961 658 K CA -0.354 55.957 56.287 0.039 0.000 0.873 658 K CB 0.592 33.122 32.500 0.051 0.000 1.107 658 K HN 0.764 nan 8.250 nan 0.000 0.432 659 D N 1.466 121.884 120.400 0.030 0.000 2.382 659 D HA -0.218 4.422 4.640 -0.000 0.000 0.163 659 D C -0.638 175.694 176.300 0.054 0.000 1.469 659 D CA 1.648 55.669 54.000 0.035 0.000 1.338 659 D CB -0.307 40.516 40.800 0.039 0.000 1.241 659 D HN 0.606 nan 8.370 nan 0.000 0.441 660 K N -0.178 120.265 120.400 0.073 0.000 2.508 660 K HA 0.608 4.928 4.320 -0.000 0.000 0.260 660 K C -0.548 176.132 176.600 0.133 0.000 0.949 660 K CA -0.834 55.531 56.287 0.130 0.000 0.834 660 K CB 3.496 36.104 32.500 0.180 0.000 1.365 660 K HN -0.028 nan 8.250 nan 0.000 0.437 661 V N -1.457 118.597 119.914 0.234 0.000 2.555 661 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 661 V C 0.292 176.670 176.094 0.473 0.000 1.038 661 V CA -0.543 61.954 62.300 0.328 0.000 0.887 661 V CB 1.289 33.275 31.823 0.272 0.000 0.991 661 V HN 0.982 nan 8.190 nan 0.000 0.434 662 T N -1.004 113.888 114.554 0.564 0.000 3.182 662 T HA 0.451 4.801 4.350 -0.000 0.000 0.277 662 T C 0.143 174.843 174.700 0.001 0.000 1.013 662 T CA 0.286 62.454 62.100 0.113 0.000 0.900 662 T CB -0.683 68.145 68.868 -0.067 0.000 1.098 662 T HN 1.859 nan 8.240 nan 0.000 0.543 663 C N -0.999 118.359 119.300 0.097 0.000 3.136 663 C HA 0.584 5.043 4.460 -0.000 0.000 0.376 663 C C -0.655 174.390 174.990 0.091 0.000 1.114 663 C CA -1.206 57.838 59.018 0.043 0.000 1.110 663 C CB 0.586 28.313 27.740 -0.022 0.000 1.452 663 C HN 0.148 nan 8.230 nan 0.000 0.542 664 V N 3.777 123.724 119.914 0.055 0.000 2.409 664 V HA 0.529 4.649 4.120 -0.000 0.000 0.270 664 V C 1.550 177.697 176.094 0.087 0.000 1.019 664 V CA 2.401 64.734 62.300 0.055 0.000 1.066 664 V CB 0.112 31.948 31.823 0.022 0.000 1.021 664 V HN 2.186 nan 8.190 nan 0.000 0.476 665 G N 3.452 112.327 108.800 0.125 0.000 2.318 665 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.172 665 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.172 665 G C 0.193 175.206 174.900 0.189 0.000 1.002 665 G CA -0.080 45.101 45.100 0.134 0.000 0.697 665 G HN 0.796 nan 8.290 nan 0.000 0.483 666 H N 1.229 120.353 119.070 0.090 0.000 3.145 666 H HA 0.321 4.877 4.556 -0.000 0.000 0.288 666 H C 0.823 176.230 175.328 0.132 0.000 0.969 666 H CA -0.413 55.694 56.048 0.098 0.000 1.444 666 H CB 0.148 29.972 29.762 0.105 0.000 1.500 666 H HN 0.244 nan 8.280 nan 0.000 0.552 667 I N 7.553 128.334 120.570 0.352 0.000 2.581 667 I HA -0.173 3.997 4.170 -0.000 0.000 0.285 667 I C 1.029 177.289 176.117 0.237 0.000 1.129 667 I CA 0.431 61.889 61.300 0.263 0.000 1.397 667 I CB 0.510 38.645 38.000 0.225 0.000 1.399 667 I HN 0.725 nan 8.210 nan 0.000 0.537 668 I N 4.900 125.595 120.570 0.209 0.000 2.927 668 I HA 0.238 4.408 4.170 -0.000 0.000 0.268 668 I C 1.235 177.411 176.117 0.099 0.000 1.153 668 I CA 0.329 61.714 61.300 0.142 0.000 1.459 668 I CB 0.076 38.150 38.000 0.123 0.000 1.149 668 I HN 0.746 nan 8.210 nan 0.000 0.443 669 G N 0.096 108.930 108.800 0.055 0.000 2.490 669 G HA2 0.721 4.681 3.960 -0.000 0.000 0.308 669 G HA3 0.721 4.681 3.960 -0.000 0.000 0.308 669 G C -2.092 172.676 174.900 -0.220 0.000 1.286 669 G CA 0.105 44.848 45.100 -0.596 0.000 0.825 669 G HN 0.185 nan 8.290 nan 0.000 0.479 670 A N -1.475 121.055 122.820 -0.483 0.000 2.556 670 A HA 0.853 5.173 4.320 -0.000 0.000 0.294 670 A C -1.531 176.063 177.584 0.017 0.000 1.091 670 A CA -0.624 51.383 52.037 -0.050 0.000 0.704 670 A CB 2.031 21.077 19.000 0.077 0.000 1.300 670 A HN 1.754 nan 8.150 nan 0.000 0.406 671 V N 1.431 121.456 119.914 0.185 0.000 2.495 671 V HA 0.603 4.723 4.120 -0.000 0.000 0.298 671 V C -0.885 175.282 176.094 0.121 0.000 1.031 671 V CA -0.377 62.082 62.300 0.266 0.000 0.871 671 V CB 1.805 33.854 31.823 0.377 0.000 0.988 671 V HN 0.770 nan 8.190 nan 0.000 0.432 672 V N 5.994 125.904 119.914 -0.008 0.000 2.417 672 V HA 0.954 5.074 4.120 -0.000 0.000 0.291 672 V C 0.269 176.281 176.094 -0.137 0.000 1.024 672 V CA 0.160 62.416 62.300 -0.072 0.000 0.861 672 V CB 1.115 32.866 31.823 -0.120 0.000 0.985 672 V HN 1.116 nan 8.190 nan 0.000 0.436 673 A N 3.155 125.970 122.820 -0.010 0.000 2.567 673 A HA 0.659 4.979 4.320 -0.000 0.000 0.289 673 A C 0.560 178.188 177.584 0.074 0.000 1.177 673 A CA 0.053 52.116 52.037 0.043 0.000 0.694 673 A CB 1.297 20.401 19.000 0.174 0.000 1.292 673 A HN 0.700 nan 8.150 nan 0.000 0.425 674 D N -0.421 120.056 120.400 0.127 0.000 2.194 674 D HA 0.013 4.653 4.640 -0.000 0.000 0.204 674 D C 0.740 177.079 176.300 0.066 0.000 0.964 674 D CA 1.893 55.953 54.000 0.101 0.000 0.846 674 D CB -0.224 40.654 40.800 0.130 0.000 0.962 674 D HN 0.759 nan 8.370 nan 0.000 0.490 675 T N -4.288 110.306 114.554 0.068 0.000 2.906 675 T HA 0.463 4.813 4.350 -0.000 0.000 0.295 675 T C -2.455 172.257 174.700 0.021 0.000 1.075 675 T CA -1.767 60.319 62.100 -0.024 0.000 1.005 675 T CB 2.547 71.289 68.868 -0.210 0.000 1.136 675 T HN -0.389 nan 8.240 nan 0.000 0.498 676 P HA -0.022 nan 4.420 nan 0.000 0.217 676 P C 1.083 178.407 177.300 0.040 0.000 1.150 676 P CA 0.998 64.119 63.100 0.036 0.000 0.832 676 P CB 0.108 31.823 31.700 0.026 0.000 0.787 677 E N -1.589 118.609 120.200 -0.004 0.000 2.077 677 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 677 E C 1.938 178.612 176.600 0.122 0.000 0.989 677 E CA 1.266 57.673 56.400 0.012 0.000 0.800 677 E CB -0.938 28.726 29.700 -0.059 0.000 0.746 677 E HN 0.522 nan 8.360 nan 0.000 0.452 678 H N -0.830 118.275 119.070 0.058 0.000 2.428 678 H HA -0.039 4.517 4.556 -0.000 0.000 0.296 678 H C 2.120 177.508 175.328 0.101 0.000 1.062 678 H CA 1.326 57.420 56.048 0.077 0.000 1.350 678 H CB 0.149 29.961 29.762 0.085 0.000 1.403 678 H HN 0.275 nan 8.280 nan 0.000 0.533 679 T N -0.934 113.752 114.554 0.220 0.000 2.821 679 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 679 T C 2.016 176.807 174.700 0.150 0.000 1.046 679 T CA 1.265 63.475 62.100 0.183 0.000 1.139 679 T CB -0.146 68.807 68.868 0.142 0.000 0.871 679 T HN 0.210 nan 8.240 nan 0.000 0.454 680 Q N 1.707 121.579 119.800 0.120 0.000 2.030 680 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 680 Q C 2.524 178.573 176.000 0.082 0.000 0.986 680 Q CA 1.691 57.545 55.803 0.086 0.000 0.843 680 Q CB -0.299 28.472 28.738 0.055 0.000 0.904 680 Q HN 0.547 nan 8.270 nan 0.000 0.420 681 R N -0.310 120.246 120.500 0.093 0.000 2.092 681 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 681 R C 2.294 178.621 176.300 0.044 0.000 1.119 681 R CA 1.085 57.223 56.100 0.063 0.000 0.970 681 R CB -0.574 29.769 30.300 0.071 0.000 0.864 681 R HN 0.397 nan 8.270 nan 0.000 0.440 682 A N 1.566 124.440 122.820 0.089 0.000 1.877 682 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 682 A C 2.437 180.061 177.584 0.066 0.000 1.186 682 A CA 1.659 53.744 52.037 0.079 0.000 0.620 682 A CB -0.633 18.535 19.000 0.279 0.000 0.822 682 A HN 0.369 nan 8.150 nan 0.000 0.443 683 A N -1.160 121.728 122.820 0.113 0.000 1.940 683 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 683 A C 2.112 179.725 177.584 0.048 0.000 1.176 683 A CA 2.169 54.269 52.037 0.105 0.000 0.631 683 A CB -0.534 18.541 19.000 0.125 0.000 0.814 683 A HN 0.507 nan 8.150 nan 0.000 0.446 684 Q N -0.323 119.499 119.800 0.036 0.000 2.291 684 Q HA -0.042 4.298 4.340 -0.000 0.000 0.206 684 Q C 1.660 177.647 176.000 -0.022 0.000 0.976 684 Q CA 1.495 57.308 55.803 0.016 0.000 0.875 684 Q CB -0.625 28.122 28.738 0.015 0.000 0.927 684 Q HN 0.556 nan 8.270 nan 0.000 0.450 685 G N -1.454 107.315 108.800 -0.052 0.000 3.141 685 G HA2 0.178 4.138 3.960 -0.000 0.000 0.218 685 G HA3 0.178 4.138 3.960 -0.000 0.000 0.218 685 G C -0.387 174.421 174.900 -0.153 0.000 1.170 685 G CA -0.138 44.898 45.100 -0.106 0.000 0.769 685 G HN 0.124 nan 8.290 nan 0.000 0.546 686 V N 1.487 121.315 119.914 -0.143 0.000 2.304 686 V HA 0.226 4.346 4.120 -0.000 0.000 0.262 686 V C 0.229 176.222 176.094 -0.169 0.000 1.061 686 V CA -0.982 61.178 62.300 -0.233 0.000 0.872 686 V CB 0.698 32.342 31.823 -0.298 0.000 1.077 686 V HN 0.139 nan 8.190 nan 0.000 0.480 687 K N 5.336 125.637 120.400 -0.165 0.000 2.368 687 K HA 0.448 4.768 4.320 -0.000 0.000 0.282 687 K C -0.761 175.743 176.600 -0.159 0.000 1.035 687 K CA 0.286 56.499 56.287 -0.122 0.000 0.973 687 K CB 0.335 32.772 32.500 -0.105 0.000 0.957 687 K HN 0.596 nan 8.250 nan 0.000 0.474 688 I N 3.976 124.454 120.570 -0.152 0.000 2.478 688 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 688 I C -0.419 175.468 176.117 -0.383 0.000 1.042 688 I CA -0.874 60.242 61.300 -0.306 0.000 1.067 688 I CB 2.125 39.905 38.000 -0.368 0.000 1.233 688 I HN 0.716 nan 8.210 nan 0.000 0.431 689 T N 2.438 116.771 114.554 -0.368 0.000 2.859 689 T HA 0.696 5.046 4.350 -0.000 0.000 0.281 689 T C -0.787 173.725 174.700 -0.314 0.000 1.005 689 T CA -0.435 61.539 62.100 -0.210 0.000 1.025 689 T CB 1.185 70.001 68.868 -0.087 0.000 0.977 689 T HN 0.357 nan 8.240 nan 0.000 0.458 690 Y N -0.013 120.284 120.300 -0.004 0.000 2.633 690 Y HA 0.652 5.202 4.550 -0.000 0.000 0.339 690 Y C 0.336 176.230 175.900 -0.011 0.000 1.045 690 Y CA -1.369 56.728 58.100 -0.004 0.000 1.098 690 Y CB 1.887 40.349 38.460 0.004 0.000 1.296 690 Y HN 0.723 nan 8.280 nan 0.000 0.494 691 E N 1.397 121.698 120.200 0.168 0.000 2.235 691 E HA 0.211 4.561 4.350 -0.000 0.000 0.252 691 E C -1.365 175.255 176.600 0.034 0.000 0.886 691 E CA -0.415 56.026 56.400 0.069 0.000 0.767 691 E CB 0.918 30.637 29.700 0.032 0.000 1.205 691 E HN 0.653 nan 8.360 nan 0.000 0.421 692 E N 3.503 123.706 120.200 0.006 0.000 2.398 692 E HA 0.222 4.572 4.350 -0.000 0.000 0.263 692 E C -0.280 176.262 176.600 -0.096 0.000 1.046 692 E CA 0.132 56.504 56.400 -0.048 0.000 0.908 692 E CB 1.002 30.675 29.700 -0.045 0.000 0.963 692 E HN 0.442 nan 8.360 nan 0.000 0.431 693 L N 2.811 123.923 121.223 -0.185 0.000 2.301 693 L HA 0.487 4.827 4.340 -0.000 0.000 0.264 693 L C -2.294 174.486 176.870 -0.151 0.000 1.016 693 L CA -2.513 52.173 54.840 -0.256 0.000 0.821 693 L CB 1.233 42.926 42.059 -0.611 0.000 1.346 693 L HN 0.304 nan 8.230 nan 0.000 0.429 694 P HA 0.195 nan 4.420 nan 0.000 0.268 694 P C -1.227 176.151 177.300 0.130 0.000 1.204 694 P CA -0.027 63.083 63.100 0.016 0.000 0.768 694 P CB 0.770 32.478 31.700 0.013 0.000 0.842 695 A N 3.548 126.419 122.820 0.085 0.000 2.365 695 A HA 0.655 4.975 4.320 -0.000 0.000 0.318 695 A C -0.616 176.969 177.584 0.003 0.000 1.091 695 A CA -0.744 51.348 52.037 0.092 0.000 0.763 695 A CB 0.778 19.823 19.000 0.075 0.000 1.248 695 A HN 0.468 nan 8.150 nan 0.000 0.442 696 I N 3.881 124.427 120.570 -0.041 0.000 2.312 696 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 696 I C 0.083 176.144 176.117 -0.093 0.000 1.008 696 I CA -0.374 60.877 61.300 -0.081 0.000 1.226 696 I CB 1.089 39.015 38.000 -0.123 0.000 1.371 696 I HN 0.598 nan 8.210 nan 0.000 0.468 697 I N 2.897 123.415 120.570 -0.088 0.000 3.393 697 I HA 0.035 4.205 4.170 -0.000 0.000 0.250 697 I C 1.513 177.563 176.117 -0.111 0.000 1.122 697 I CA 0.788 62.026 61.300 -0.103 0.000 1.484 697 I CB -0.776 37.170 38.000 -0.090 0.000 1.468 697 I HN 0.514 nan 8.210 nan 0.000 0.461 698 T N -0.167 114.333 114.554 -0.090 0.000 2.813 698 T HA 0.319 4.669 4.350 -0.000 0.000 0.297 698 T C 1.398 176.062 174.700 -0.060 0.000 1.036 698 T CA -0.263 61.793 62.100 -0.074 0.000 1.044 698 T CB 1.258 70.084 68.868 -0.069 0.000 0.993 698 T HN 0.121 nan 8.240 nan 0.000 0.535 699 I N 0.623 121.181 120.570 -0.020 0.000 2.454 699 I HA -0.127 4.043 4.170 -0.000 0.000 0.254 699 I C 2.459 178.544 176.117 -0.053 0.000 1.156 699 I CA 1.332 62.636 61.300 0.006 0.000 1.433 699 I CB -0.314 37.729 38.000 0.071 0.000 1.082 699 I HN 0.729 nan 8.210 nan 0.000 0.432 700 E N 0.531 120.686 120.200 -0.076 0.000 2.152 700 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 700 E C 1.702 178.248 176.600 -0.091 0.000 0.983 700 E CA 0.819 57.161 56.400 -0.097 0.000 0.818 700 E CB -0.069 29.578 29.700 -0.089 0.000 0.758 700 E HN 0.387 nan 8.360 nan 0.000 0.467 701 D N 0.250 120.596 120.400 -0.090 0.000 2.117 701 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 701 D C 1.832 178.047 176.300 -0.142 0.000 0.982 701 D CA 1.317 55.257 54.000 -0.099 0.000 0.828 701 D CB -0.158 40.587 40.800 -0.092 0.000 0.967 701 D HN 0.196 nan 8.370 nan 0.000 0.464 702 A N 1.219 123.936 122.820 -0.172 0.000 1.845 702 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 702 A C 2.400 179.764 177.584 -0.367 0.000 1.195 702 A CA 0.869 52.717 52.037 -0.315 0.000 0.616 702 A CB -0.847 17.975 19.000 -0.296 0.000 0.832 702 A HN 0.149 nan 8.150 nan 0.000 0.443 703 I N -0.408 120.078 120.570 -0.141 0.000 2.248 703 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 703 I C 2.591 178.702 176.117 -0.009 0.000 1.107 703 I CA 1.978 63.309 61.300 0.052 0.000 1.373 703 I CB -0.227 37.771 38.000 -0.003 0.000 1.055 703 I HN 0.396 nan 8.210 nan 0.000 0.418 704 K N 0.672 121.031 120.400 -0.069 0.000 2.155 704 K HA -0.108 4.212 4.320 -0.000 0.000 0.203 704 K C 1.346 177.906 176.600 -0.067 0.000 1.052 704 K CA 1.101 57.355 56.287 -0.054 0.000 0.948 704 K CB 0.084 32.548 32.500 -0.059 0.000 0.728 704 K HN 0.341 nan 8.250 nan 0.000 0.448 705 N N 1.224 119.851 118.700 -0.122 0.000 2.230 705 N HA -0.053 4.687 4.740 -0.000 0.000 0.202 705 N C -0.561 174.851 175.510 -0.164 0.000 1.119 705 N CA 0.089 53.063 53.050 -0.126 0.000 0.851 705 N CB 0.255 38.657 38.487 -0.141 0.000 0.990 705 N HN 0.176 nan 8.380 nan 0.000 0.497 706 N N 0.798 119.386 118.700 -0.187 0.000 2.714 706 N HA -0.197 4.543 4.740 -0.000 0.000 0.253 706 N C -1.160 174.102 175.510 -0.414 0.000 1.024 706 N CA 0.335 53.287 53.050 -0.162 0.000 0.726 706 N CB -0.968 37.540 38.487 0.035 0.000 0.908 706 N HN -0.008 nan 8.380 nan 0.000 0.542 707 S N 1.212 116.408 115.700 -0.840 0.000 2.488 707 S HA 0.669 5.139 4.470 -0.000 0.000 0.310 707 S C -0.909 173.094 174.600 -0.995 0.000 1.093 707 S CA -0.518 57.266 58.200 -0.694 0.000 1.129 707 S CB -0.127 62.788 63.200 -0.476 0.000 0.989 707 S HN 0.310 nan 8.310 nan 0.000 0.479 708 F N 2.278 122.129 119.950 -0.165 0.000 2.675 708 F HA 0.517 5.044 4.527 -0.000 0.000 0.324 708 F C -1.003 174.651 175.800 -0.243 0.000 1.106 708 F CA -1.189 56.712 58.000 -0.165 0.000 0.970 708 F CB 0.978 39.951 39.000 -0.045 0.000 1.385 708 F HN 0.269 nan 8.300 nan 0.000 0.489 709 Y N 1.059 121.483 120.300 0.208 0.000 2.342 709 Y HA 0.543 5.093 4.550 -0.000 0.000 0.338 709 Y C 0.700 176.639 175.900 0.065 0.000 0.965 709 Y CA -0.416 57.741 58.100 0.095 0.000 1.159 709 Y CB 1.018 39.515 38.460 0.061 0.000 1.157 709 Y HN 0.848 nan 8.280 nan 0.000 0.486 710 G N 4.667 113.579 108.800 0.187 0.000 2.749 710 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.242 710 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.242 710 G C -2.538 172.386 174.900 0.040 0.000 1.364 710 G CA -0.847 44.307 45.100 0.090 0.000 0.888 710 G HN 0.539 nan 8.290 nan 0.000 0.566 711 P HA 0.356 nan 4.420 nan 0.000 0.293 711 P C -0.273 176.948 177.300 -0.132 0.000 1.304 711 P CA -0.444 62.619 63.100 -0.062 0.000 0.767 711 P CB 0.722 32.390 31.700 -0.053 0.000 1.247 712 E N -0.243 119.858 120.200 -0.164 0.000 2.354 712 E HA 0.254 4.604 4.350 -0.000 0.000 0.269 712 E C -0.815 175.676 176.600 -0.182 0.000 1.036 712 E CA -0.541 55.730 56.400 -0.215 0.000 0.876 712 E CB 0.250 29.828 29.700 -0.203 0.000 1.009 712 E HN 0.157 nan 8.360 nan 0.000 0.416 713 L N 4.132 125.227 121.223 -0.214 0.000 2.343 713 L HA 0.484 4.824 4.340 -0.000 0.000 0.275 713 L C -0.144 176.658 176.870 -0.113 0.000 1.056 713 L CA 0.124 54.816 54.840 -0.246 0.000 0.804 713 L CB 1.243 43.093 42.059 -0.349 0.000 1.203 713 L HN 0.532 nan 8.230 nan 0.000 0.440 714 K N 2.447 122.848 120.400 0.001 0.000 2.572 714 K HA 0.640 4.960 4.320 -0.000 0.000 0.263 714 K C -1.964 174.821 176.600 0.309 0.000 0.932 714 K CA -0.449 55.917 56.287 0.133 0.000 0.838 714 K CB 1.547 34.093 32.500 0.075 0.000 1.366 714 K HN 0.527 nan 8.250 nan 0.000 0.425 715 I N 2.695 123.432 120.570 0.279 0.000 2.447 715 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 715 I C -0.859 175.399 176.117 0.234 0.000 1.023 715 I CA -0.613 60.862 61.300 0.293 0.000 1.083 715 I CB 2.082 40.271 38.000 0.315 0.000 1.245 715 I HN 0.604 nan 8.210 nan 0.000 0.434 716 E N 6.208 126.521 120.200 0.189 0.000 2.272 716 E HA 0.530 4.880 4.350 -0.000 0.000 0.269 716 E C -1.353 175.322 176.600 0.125 0.000 0.877 716 E CA -0.888 55.598 56.400 0.143 0.000 0.755 716 E CB 2.939 32.701 29.700 0.105 0.000 1.192 716 E HN 0.452 nan 8.360 nan 0.000 0.422 717 K N 2.311 122.775 120.400 0.106 0.000 2.523 717 K HA 0.600 4.920 4.320 -0.000 0.000 0.257 717 K C -0.243 176.381 176.600 0.040 0.000 0.932 717 K CA 0.191 56.525 56.287 0.080 0.000 0.812 717 K CB 1.668 34.233 32.500 0.108 0.000 1.326 717 K HN 0.704 nan 8.250 nan 0.000 0.433 718 G N 2.224 111.037 108.800 0.021 0.000 2.542 718 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.235 718 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.235 718 G C -1.364 173.532 174.900 -0.007 0.000 1.286 718 G CA 0.028 45.125 45.100 -0.004 0.000 0.904 718 G HN 0.677 nan 8.290 nan 0.000 0.577 719 D N 0.523 120.907 120.400 -0.028 0.000 2.389 719 D HA 0.464 5.104 4.640 -0.000 0.000 0.256 719 D C 1.780 178.052 176.300 -0.047 0.000 1.239 719 D CA -0.449 53.538 54.000 -0.021 0.000 0.925 719 D CB 0.798 41.588 40.800 -0.016 0.000 1.145 719 D HN 0.356 nan 8.370 nan 0.000 0.542 720 L N 2.833 124.039 121.223 -0.030 0.000 1.989 720 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 720 L C 2.537 179.430 176.870 0.039 0.000 1.071 720 L CA 1.158 55.969 54.840 -0.048 0.000 0.749 720 L CB -0.254 41.852 42.059 0.079 0.000 0.890 720 L HN 0.364 nan 8.230 nan 0.000 0.431 721 K N 0.611 121.064 120.400 0.089 0.000 2.059 721 K HA -0.282 4.038 4.320 -0.000 0.000 0.212 721 K C 2.263 178.903 176.600 0.067 0.000 1.050 721 K CA 1.930 58.279 56.287 0.104 0.000 0.927 721 K CB -0.071 32.467 32.500 0.063 0.000 0.714 721 K HN 0.108 nan 8.250 nan 0.000 0.447 722 K N -0.580 119.831 120.400 0.017 0.000 2.155 722 K HA -0.082 4.238 4.320 -0.000 0.000 0.203 722 K C 2.021 178.602 176.600 -0.032 0.000 1.052 722 K CA 1.325 57.610 56.287 -0.004 0.000 0.948 722 K CB -0.197 32.294 32.500 -0.016 0.000 0.728 722 K HN 0.325 nan 8.250 nan 0.000 0.448 723 G N 0.672 109.417 108.800 -0.092 0.000 2.433 723 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 723 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 723 G C 1.156 175.949 174.900 -0.179 0.000 1.186 723 G CA 0.564 45.547 45.100 -0.195 0.000 0.779 723 G HN 0.245 nan 8.290 nan 0.000 0.543 724 F N 2.143 122.066 119.950 -0.044 0.000 2.365 724 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 724 F C 3.056 178.821 175.800 -0.058 0.000 1.090 724 F CA 1.218 59.184 58.000 -0.056 0.000 1.408 724 F CB -0.140 38.831 39.000 -0.048 0.000 1.060 724 F HN 0.274 nan 8.300 nan 0.000 0.534 725 S N -0.630 115.138 115.700 0.114 0.000 2.436 725 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 725 S C 1.543 176.152 174.600 0.014 0.000 1.014 725 S CA 0.816 59.047 58.200 0.053 0.000 0.950 725 S CB -0.432 62.789 63.200 0.036 0.000 0.784 725 S HN 0.511 nan 8.310 nan 0.000 0.504 726 E N 1.527 121.724 120.200 -0.005 0.000 2.385 726 E HA 0.346 4.696 4.350 -0.000 0.000 0.194 726 E C 0.687 177.266 176.600 -0.035 0.000 1.013 726 E CA 0.208 56.594 56.400 -0.024 0.000 0.866 726 E CB 0.042 29.721 29.700 -0.034 0.000 0.832 726 E HN 0.644 nan 8.360 nan 0.000 0.500 727 A N 1.817 124.616 122.820 -0.035 0.000 2.488 727 A HA -0.029 4.291 4.320 -0.000 0.000 0.249 727 A C 0.539 178.061 177.584 -0.105 0.000 1.083 727 A CA -0.217 51.777 52.037 -0.070 0.000 0.768 727 A CB 0.315 19.288 19.000 -0.045 0.000 1.017 727 A HN -0.009 nan 8.150 nan 0.000 0.496 728 D N 1.098 121.411 120.400 -0.146 0.000 2.097 728 D HA -0.051 4.589 4.640 -0.000 0.000 0.197 728 D C 0.142 176.303 176.300 -0.233 0.000 0.984 728 D CA 1.394 55.306 54.000 -0.147 0.000 0.826 728 D CB 0.124 40.857 40.800 -0.113 0.000 0.973 728 D HN 0.612 nan 8.370 nan 0.000 0.460 729 N N -0.364 118.048 118.700 -0.479 0.000 2.265 729 N HA 0.372 5.112 4.740 -0.000 0.000 0.300 729 N C -1.118 173.977 175.510 -0.691 0.000 1.148 729 N CA -0.435 52.257 53.050 -0.597 0.000 0.772 729 N CB 3.286 41.330 38.487 -0.738 0.000 1.434 729 N HN -0.256 nan 8.380 nan 0.000 0.481 730 V N 1.370 121.100 119.914 -0.307 0.000 2.577 730 V HA 0.417 4.537 4.120 -0.000 0.000 0.303 730 V C -0.428 175.701 176.094 0.058 0.000 1.042 730 V CA -0.727 61.526 62.300 -0.077 0.000 0.872 730 V CB 2.121 33.907 31.823 -0.062 0.000 0.998 730 V HN 0.338 nan 8.190 nan 0.000 0.423 731 V N 3.563 123.628 119.914 0.252 0.000 2.495 731 V HA 0.589 4.709 4.120 -0.000 0.000 0.298 731 V C 0.057 176.273 176.094 0.204 0.000 1.031 731 V CA -0.196 62.265 62.300 0.269 0.000 0.871 731 V CB 2.239 34.320 31.823 0.431 0.000 0.988 731 V HN 0.895 nan 8.190 nan 0.000 0.432 732 S N 2.337 118.088 115.700 0.085 0.000 2.501 732 S HA 0.939 5.409 4.470 -0.000 0.000 0.301 732 S C 0.175 174.676 174.600 -0.164 0.000 1.096 732 S CA -0.276 57.898 58.200 -0.044 0.000 1.063 732 S CB 1.885 65.032 63.200 -0.088 0.000 1.042 732 S HN 1.187 nan 8.310 nan 0.000 0.494 733 G N 0.835 109.274 108.800 -0.601 0.000 2.608 733 G HA2 0.606 4.566 3.960 -0.000 0.000 0.291 733 G HA3 0.606 4.566 3.960 -0.000 0.000 0.291 733 G C -2.044 172.303 174.900 -0.921 0.000 1.425 733 G CA -0.532 44.123 45.100 -0.741 0.000 0.787 733 G HN 0.582 nan 8.290 nan 0.000 0.484 734 E N -1.166 118.804 120.200 -0.383 0.000 2.367 734 E HA 0.674 5.024 4.350 -0.000 0.000 0.273 734 E C -1.528 175.145 176.600 0.121 0.000 0.903 734 E CA -0.820 55.512 56.400 -0.113 0.000 0.764 734 E CB 2.477 32.150 29.700 -0.045 0.000 1.252 734 E HN 0.702 nan 8.360 nan 0.000 0.446 735 I N -0.463 120.246 120.570 0.232 0.000 2.842 735 I HA 0.422 4.592 4.170 -0.000 0.000 0.297 735 I C -1.759 174.547 176.117 0.314 0.000 1.380 735 I CA -0.908 60.561 61.300 0.283 0.000 1.018 735 I CB 1.055 39.246 38.000 0.319 0.000 1.311 735 I HN 0.496 nan 8.210 nan 0.000 0.439 736 Y N 4.904 125.303 120.300 0.165 0.000 2.393 736 Y HA 0.848 5.398 4.550 -0.000 0.000 0.341 736 Y C -1.145 174.849 175.900 0.158 0.000 0.988 736 Y CA -1.140 57.058 58.100 0.163 0.000 1.078 736 Y CB 1.633 40.169 38.460 0.126 0.000 1.203 736 Y HN 0.588 nan 8.280 nan 0.000 0.453 737 I N 6.312 126.609 120.570 -0.456 0.000 2.411 737 I HA 0.405 4.575 4.170 -0.000 0.000 0.284 737 I C 0.674 176.453 176.117 -0.565 0.000 1.012 737 I CA -0.909 60.207 61.300 -0.306 0.000 1.119 737 I CB 1.328 39.258 38.000 -0.116 0.000 1.261 737 I HN 0.856 nan 8.210 nan 0.000 0.448 738 G N 3.917 112.538 108.800 -0.299 0.000 2.664 738 G HA2 0.393 4.353 3.960 -0.000 0.000 0.242 738 G HA3 0.393 4.353 3.960 -0.000 0.000 0.242 738 G C 0.561 175.413 174.900 -0.079 0.000 1.225 738 G CA -0.030 45.005 45.100 -0.108 0.000 0.849 738 G HN 0.723 nan 8.290 nan 0.000 0.581 739 G N -1.317 107.489 108.800 0.009 0.000 2.468 739 G HA2 0.488 4.448 3.960 -0.000 0.000 0.264 739 G HA3 0.488 4.448 3.960 -0.000 0.000 0.264 739 G C -0.121 174.749 174.900 -0.050 0.000 1.460 739 G CA 0.023 45.117 45.100 -0.010 0.000 1.060 739 G HN 0.808 nan 8.290 nan 0.000 0.543 740 Q N -1.815 117.946 119.800 -0.064 0.000 2.574 740 Q HA 0.223 4.563 4.340 -0.000 0.000 0.265 740 Q C -1.926 174.087 176.000 0.020 0.000 0.975 740 Q CA -0.653 55.114 55.803 -0.061 0.000 0.923 740 Q CB 1.918 30.400 28.738 -0.427 0.000 1.518 740 Q HN 0.420 nan 8.270 nan 0.000 0.401 741 E N 1.418 121.651 120.200 0.055 0.000 2.216 741 E HA 0.173 4.523 4.350 -0.000 0.000 0.279 741 E C -0.013 176.712 176.600 0.208 0.000 0.997 741 E CA 0.079 56.454 56.400 -0.042 0.000 0.817 741 E CB 0.808 30.221 29.700 -0.478 0.000 1.096 741 E HN 0.725 nan 8.360 nan 0.000 0.393 742 H N 3.330 122.412 119.070 0.019 0.000 2.387 742 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 742 H C 0.349 175.515 175.328 -0.269 0.000 1.090 742 H CA 0.955 56.767 56.048 -0.393 0.000 1.332 742 H CB -0.285 29.004 29.762 -0.788 0.000 1.386 742 H HN 0.569 nan 8.280 nan 0.000 0.516 743 F N 0.791 120.525 119.950 -0.359 0.000 2.943 743 F HA -0.260 4.267 4.527 -0.000 0.000 0.258 743 F C -0.902 174.860 175.800 -0.064 0.000 0.995 743 F CA -0.585 57.309 58.000 -0.177 0.000 0.896 743 F CB -1.815 37.227 39.000 0.070 0.000 0.821 743 F HN 0.128 nan 8.300 nan 0.000 0.828 744 Y N 0.521 120.971 120.300 0.250 0.000 2.442 744 Y HA 0.261 4.811 4.550 -0.000 0.000 0.330 744 Y C 1.115 177.065 175.900 0.084 0.000 1.129 744 Y CA -1.604 56.684 58.100 0.314 0.000 1.365 744 Y CB 0.041 38.562 38.460 0.102 0.000 1.233 744 Y HN 0.129 nan 8.280 nan 0.000 0.529 745 L N 1.333 122.767 121.223 0.352 0.000 2.129 745 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 745 L C 1.041 177.872 176.870 -0.066 0.000 1.087 745 L CA 1.610 56.626 54.840 0.294 0.000 0.757 745 L CB -0.584 41.757 42.059 0.471 0.000 0.896 745 L HN 0.866 nan 8.230 nan 0.000 0.434 746 E N 0.433 120.303 120.200 -0.550 0.000 2.109 746 E HA 0.184 4.534 4.350 -0.000 0.000 0.278 746 E C 0.096 176.396 176.600 -0.500 0.000 0.954 746 E CA -0.298 55.471 56.400 -1.052 0.000 0.779 746 E CB 1.099 29.919 29.700 -1.465 0.000 1.093 746 E HN 0.245 nan 8.360 nan 0.000 0.401 747 T N 1.442 115.810 114.554 -0.310 0.000 2.715 747 T HA 0.099 4.449 4.350 -0.000 0.000 0.320 747 T C 0.647 175.105 174.700 -0.403 0.000 1.046 747 T CA -0.498 61.463 62.100 -0.231 0.000 0.983 747 T CB 0.300 69.162 68.868 -0.011 0.000 1.183 747 T HN 0.457 nan 8.240 nan 0.000 0.522 748 H N -0.862 118.047 119.070 -0.268 0.000 2.815 748 H HA 0.374 4.930 4.556 -0.000 0.000 0.350 748 H C -0.050 175.208 175.328 -0.117 0.000 1.080 748 H CA 0.112 56.028 56.048 -0.221 0.000 1.433 748 H CB 0.633 30.314 29.762 -0.136 0.000 1.432 748 H HN 0.730 nan 8.280 nan 0.000 0.592 749 C N 3.105 122.400 119.300 -0.009 0.000 3.006 749 C HA 0.415 4.875 4.460 -0.000 0.000 0.359 749 C C -0.768 174.250 174.990 0.047 0.000 1.103 749 C CA -0.230 58.802 59.018 0.024 0.000 1.286 749 C CB 1.157 28.896 27.740 -0.002 0.000 1.694 749 C HN 0.869 nan 8.230 nan 0.000 0.511 750 T N 5.949 120.547 114.554 0.074 0.000 2.971 750 T HA 0.571 4.921 4.350 -0.000 0.000 0.304 750 T C -1.053 173.718 174.700 0.118 0.000 1.038 750 T CA -0.185 61.971 62.100 0.092 0.000 1.007 750 T CB 1.036 69.950 68.868 0.077 0.000 1.055 750 T HN 0.584 nan 8.240 nan 0.000 0.451 751 I N 2.706 123.380 120.570 0.174 0.000 2.410 751 I HA 0.638 4.808 4.170 -0.000 0.000 0.286 751 I C -0.063 176.209 176.117 0.258 0.000 1.009 751 I CA -0.950 60.475 61.300 0.208 0.000 1.111 751 I CB 1.490 39.627 38.000 0.228 0.000 1.262 751 I HN 0.670 nan 8.210 nan 0.000 0.443 752 A N 6.426 129.357 122.820 0.186 0.000 2.287 752 A HA 0.660 4.980 4.320 -0.000 0.000 0.317 752 A C -0.693 176.986 177.584 0.159 0.000 1.220 752 A CA -0.579 51.552 52.037 0.156 0.000 0.835 752 A CB 1.493 20.555 19.000 0.102 0.000 1.180 752 A HN 0.562 nan 8.150 nan 0.000 0.500 753 V N 3.508 123.527 119.914 0.176 0.000 2.357 753 V HA 0.695 4.815 4.120 -0.000 0.000 0.284 753 V C -2.703 173.426 176.094 0.058 0.000 1.018 753 V CA -2.277 60.096 62.300 0.123 0.000 0.841 753 V CB 1.692 33.631 31.823 0.195 0.000 0.991 753 V HN 0.722 nan 8.190 nan 0.000 0.437 754 P HA 0.348 nan 4.420 nan 0.000 0.280 754 P C -0.364 176.928 177.300 -0.013 0.000 1.244 754 P CA -0.330 62.782 63.100 0.019 0.000 0.784 754 P CB 1.402 33.114 31.700 0.019 0.000 0.913 755 K N 2.039 122.438 120.400 -0.001 0.000 2.379 755 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 755 K C 1.552 178.141 176.600 -0.017 0.000 1.031 755 K CA 0.743 57.022 56.287 -0.014 0.000 1.037 755 K CB -0.702 31.798 32.500 0.001 0.000 0.824 755 K HN 0.839 nan 8.250 nan 0.000 0.516 756 G N 1.709 110.503 108.800 -0.010 0.000 2.184 756 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 756 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 756 G C -0.225 174.673 174.900 -0.003 0.000 0.975 756 G CA 0.300 45.391 45.100 -0.013 0.000 0.642 756 G HN 0.400 nan 8.290 nan 0.000 0.536 757 E N -0.612 119.591 120.200 0.005 0.000 2.199 757 E HA 0.587 4.937 4.350 -0.000 0.000 0.265 757 E C 0.826 177.435 176.600 0.016 0.000 0.882 757 E CA -0.450 55.954 56.400 0.008 0.000 0.759 757 E CB 1.507 31.209 29.700 0.004 0.000 1.148 757 E HN 1.386 nan 8.360 nan 0.000 0.412 758 A N 3.094 125.925 122.820 0.018 0.000 2.750 758 A HA -0.270 4.050 4.320 -0.000 0.000 0.298 758 A C 1.365 178.968 177.584 0.030 0.000 1.500 758 A CA 1.351 53.401 52.037 0.022 0.000 0.891 758 A CB -2.219 16.790 19.000 0.014 0.000 0.972 758 A HN 1.371 nan 8.150 nan 0.000 0.531 759 G N -2.171 106.657 108.800 0.046 0.000 2.162 759 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 759 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 759 G C -0.114 174.813 174.900 0.045 0.000 0.976 759 G CA 0.781 45.919 45.100 0.064 0.000 0.655 759 G HN 1.163 nan 8.290 nan 0.000 0.533 760 E N -0.395 119.822 120.200 0.030 0.000 2.413 760 E HA 0.454 4.804 4.350 -0.000 0.000 0.263 760 E C 0.376 176.990 176.600 0.023 0.000 1.015 760 E CA 0.491 56.902 56.400 0.018 0.000 0.916 760 E CB 0.630 30.337 29.700 0.011 0.000 0.947 760 E HN 0.459 nan 8.360 nan 0.000 0.440 761 M N 2.395 122.003 119.600 0.014 0.000 2.371 761 M HA 0.222 4.702 4.480 -0.000 0.000 0.287 761 M C -1.664 174.629 176.300 -0.013 0.000 1.149 761 M CA -0.461 54.849 55.300 0.017 0.000 0.929 761 M CB 2.100 34.719 32.600 0.031 0.000 1.683 761 M HN 0.424 nan 8.290 nan 0.000 0.470 762 E N 3.708 123.900 120.200 -0.013 0.000 2.158 762 E HA 0.614 4.964 4.350 -0.000 0.000 0.271 762 E C -2.034 174.493 176.600 -0.121 0.000 0.911 762 E CA -0.625 55.716 56.400 -0.098 0.000 0.767 762 E CB 1.376 31.040 29.700 -0.059 0.000 1.120 762 E HN 0.580 nan 8.360 nan 0.000 0.405 763 L N 4.695 125.771 121.223 -0.246 0.000 2.362 763 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 763 L C -1.164 175.498 176.870 -0.346 0.000 0.998 763 L CA -0.354 54.393 54.840 -0.156 0.000 0.820 763 L CB 1.211 43.238 42.059 -0.052 0.000 1.270 763 L HN 0.533 nan 8.230 nan 0.000 0.415 764 F N 3.020 122.990 119.950 0.033 0.000 2.388 764 F HA 0.676 5.203 4.527 -0.000 0.000 0.358 764 F C -0.008 175.799 175.800 0.012 0.000 1.122 764 F CA -0.815 57.198 58.000 0.022 0.000 1.056 764 F CB 1.439 40.457 39.000 0.030 0.000 1.155 764 F HN 0.033 nan 8.300 nan 0.000 0.461 765 V N 1.691 121.662 119.914 0.094 0.000 2.789 765 V HA 0.342 4.462 4.120 -0.000 0.000 0.311 765 V C -0.268 175.826 176.094 0.000 0.000 1.073 765 V CA -1.032 61.295 62.300 0.044 0.000 0.921 765 V CB 2.180 34.008 31.823 0.008 0.000 1.009 765 V HN 0.655 nan 8.190 nan 0.000 0.426 766 S N 2.907 118.583 115.700 -0.041 0.000 2.681 766 S HA 0.469 4.939 4.470 -0.000 0.000 0.313 766 S C -0.157 174.343 174.600 -0.167 0.000 1.137 766 S CA 0.040 58.165 58.200 -0.125 0.000 1.045 766 S CB -0.356 62.717 63.200 -0.211 0.000 1.208 766 S HN 0.980 nan 8.310 nan 0.000 0.523 767 T N 3.266 117.746 114.554 -0.123 0.000 2.932 767 T HA 0.335 4.685 4.350 -0.000 0.000 0.318 767 T C 0.246 174.886 174.700 -0.101 0.000 1.265 767 T CA -0.510 61.522 62.100 -0.113 0.000 1.036 767 T CB 1.703 70.533 68.868 -0.063 0.000 1.209 767 T HN 0.519 nan 8.240 nan 0.000 0.484 768 Q N 1.567 121.310 119.800 -0.095 0.000 2.425 768 Q HA 0.230 4.570 4.340 -0.000 0.000 0.204 768 Q C 0.114 176.084 176.000 -0.051 0.000 0.933 768 Q CA 0.144 55.903 55.803 -0.073 0.000 0.939 768 Q CB 0.310 29.010 28.738 -0.064 0.000 1.044 768 Q HN 0.336 nan 8.270 nan 0.000 0.513 769 N N 0.119 118.782 118.700 -0.062 0.000 2.762 769 N HA 0.031 4.771 4.740 -0.000 0.000 0.252 769 N C 0.349 175.805 175.510 -0.090 0.000 1.269 769 N CA 0.065 53.069 53.050 -0.076 0.000 0.799 769 N CB 1.008 39.436 38.487 -0.098 0.000 1.173 769 N HN 0.094 nan 8.380 nan 0.000 0.516 770 T N 0.001 114.511 114.554 -0.072 0.000 2.746 770 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 770 T C 1.870 176.520 174.700 -0.083 0.000 1.039 770 T CA 0.811 62.869 62.100 -0.071 0.000 1.142 770 T CB -0.050 68.784 68.868 -0.057 0.000 0.866 770 T HN 0.427 nan 8.240 nan 0.000 0.444 771 M N 0.334 119.883 119.600 -0.085 0.000 2.086 771 M HA -0.080 4.400 4.480 -0.000 0.000 0.261 771 M C 2.064 178.278 176.300 -0.143 0.000 1.067 771 M CA 1.658 56.904 55.300 -0.089 0.000 1.116 771 M CB -0.139 32.418 32.600 -0.073 0.000 1.348 771 M HN 0.020 nan 8.290 nan 0.000 0.407 772 K N -0.406 119.855 120.400 -0.233 0.000 2.288 772 K HA -0.003 4.317 4.320 -0.000 0.000 0.201 772 K C 1.808 178.137 176.600 -0.452 0.000 1.048 772 K CA 1.361 57.368 56.287 -0.467 0.000 0.956 772 K CB -0.444 31.672 32.500 -0.640 0.000 0.746 772 K HN 0.434 nan 8.250 nan 0.000 0.461 773 T N 1.273 115.694 114.554 -0.222 0.000 2.770 773 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 773 T C 1.880 176.562 174.700 -0.030 0.000 1.039 773 T CA 1.098 63.142 62.100 -0.093 0.000 1.142 773 T CB 0.023 68.852 68.868 -0.064 0.000 0.868 773 T HN 0.332 nan 8.240 nan 0.000 0.435 774 Q N 1.166 120.935 119.800 -0.051 0.000 2.050 774 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 774 Q C 2.444 178.451 176.000 0.011 0.000 0.980 774 Q CA 2.076 57.865 55.803 -0.024 0.000 0.840 774 Q CB -0.181 28.534 28.738 -0.038 0.000 0.898 774 Q HN 0.633 nan 8.270 nan 0.000 0.424 775 S N -0.560 115.147 115.700 0.011 0.000 2.406 775 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 775 S C 1.718 176.452 174.600 0.223 0.000 1.020 775 S CA 0.507 58.753 58.200 0.078 0.000 0.965 775 S CB -0.394 62.842 63.200 0.059 0.000 0.798 775 S HN 0.321 nan 8.310 nan 0.000 0.488 776 F N 1.845 121.775 119.950 -0.034 0.000 2.206 776 F HA 0.159 4.686 4.527 -0.000 0.000 0.298 776 F C 2.483 178.250 175.800 -0.055 0.000 1.090 776 F CA -0.531 57.443 58.000 -0.042 0.000 1.323 776 F CB -0.930 38.045 39.000 -0.042 0.000 1.028 776 F HN 0.096 nan 8.300 nan 0.000 0.492 777 V N -0.454 119.546 119.914 0.143 0.000 2.488 777 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 777 V C 2.546 178.644 176.094 0.006 0.000 1.046 777 V CA 1.370 63.696 62.300 0.043 0.000 1.053 777 V CB -1.118 30.721 31.823 0.028 0.000 0.679 777 V HN 0.275 nan 8.190 nan 0.000 0.458 778 A N 0.005 122.838 122.820 0.022 0.000 1.858 778 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 778 A C 2.330 179.902 177.584 -0.019 0.000 1.190 778 A CA 2.295 54.331 52.037 -0.002 0.000 0.617 778 A CB -0.543 18.463 19.000 0.010 0.000 0.827 778 A HN 0.483 nan 8.150 nan 0.000 0.443 779 K N -1.147 119.255 120.400 0.002 0.000 2.063 779 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 779 K C 2.145 178.704 176.600 -0.068 0.000 1.048 779 K CA 1.700 57.971 56.287 -0.027 0.000 0.928 779 K CB -0.223 32.267 32.500 -0.018 0.000 0.713 779 K HN 0.458 nan 8.250 nan 0.000 0.442 780 M N 1.038 120.590 119.600 -0.080 0.000 2.086 780 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 780 M C 1.696 177.913 176.300 -0.138 0.000 1.067 780 M CA 1.627 56.861 55.300 -0.110 0.000 1.116 780 M CB -0.371 32.162 32.600 -0.112 0.000 1.348 780 M HN 0.205 nan 8.290 nan 0.000 0.407 781 L N -0.101 121.031 121.223 -0.152 0.000 2.492 781 L HA 0.129 4.469 4.340 -0.000 0.000 0.223 781 L C 1.139 177.888 176.870 -0.201 0.000 1.132 781 L CA 0.450 55.138 54.840 -0.253 0.000 0.850 781 L CB -0.747 41.177 42.059 -0.226 0.000 0.966 781 L HN 0.617 nan 8.230 nan 0.000 0.454 782 G N 1.356 110.085 108.800 -0.118 0.000 2.324 782 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.292 782 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.292 782 G C -0.127 174.736 174.900 -0.062 0.000 1.079 782 G CA 0.299 45.351 45.100 -0.081 0.000 1.026 782 G HN 0.305 nan 8.290 nan 0.000 0.506 783 V N -3.413 116.472 119.914 -0.049 0.000 3.049 783 V HA 0.915 5.035 4.120 -0.000 0.000 0.309 783 V C -2.265 173.819 176.094 -0.018 0.000 1.148 783 V CA -2.864 59.419 62.300 -0.029 0.000 0.990 783 V CB 1.977 33.785 31.823 -0.026 0.000 1.039 783 V HN 0.108 nan 8.190 nan 0.000 0.430 784 P HA 0.299 nan 4.420 nan 0.000 0.268 784 P C 0.834 178.130 177.300 -0.007 0.000 1.208 784 P CA 0.528 63.623 63.100 -0.008 0.000 0.777 784 P CB 0.905 32.601 31.700 -0.006 0.000 0.875 785 A N 3.117 125.934 122.820 -0.006 0.000 2.019 785 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 785 A C 1.645 179.224 177.584 -0.009 0.000 1.164 785 A CA 1.902 53.936 52.037 -0.006 0.000 0.644 785 A CB -1.356 17.641 19.000 -0.005 0.000 0.805 785 A HN 0.735 nan 8.150 nan 0.000 0.449 786 N N -0.626 118.069 118.700 -0.008 0.000 2.573 786 N HA -0.125 4.615 4.740 -0.000 0.000 0.187 786 N C 1.236 176.742 175.510 -0.007 0.000 1.107 786 N CA 0.872 53.918 53.050 -0.007 0.000 0.918 786 N CB -0.294 38.190 38.487 -0.005 0.000 0.966 786 N HN 0.353 nan 8.380 nan 0.000 0.448 787 R N -0.187 120.310 120.500 -0.006 0.000 2.254 787 R HA 0.225 4.565 4.340 -0.000 0.000 0.195 787 R C -0.069 176.227 176.300 -0.007 0.000 0.957 787 R CA 0.078 56.176 56.100 -0.003 0.000 1.024 787 R CB 0.257 30.558 30.300 0.001 0.000 0.952 787 R HN 0.272 nan 8.270 nan 0.000 0.484 788 I N 1.623 122.186 120.570 -0.013 0.000 2.330 788 I HA 0.203 4.373 4.170 -0.000 0.000 0.289 788 I C -0.195 175.899 176.117 -0.037 0.000 1.001 788 I CA -1.214 60.073 61.300 -0.022 0.000 1.193 788 I CB 1.590 39.580 38.000 -0.016 0.000 1.345 788 I HN -0.326 nan 8.210 nan 0.000 0.461 789 V N 8.404 128.283 119.914 -0.058 0.000 2.417 789 V HA 0.549 4.669 4.120 -0.000 0.000 0.291 789 V C -0.588 175.426 176.094 -0.133 0.000 1.024 789 V CA -0.358 61.892 62.300 -0.082 0.000 0.861 789 V CB 2.016 33.790 31.823 -0.081 0.000 0.985 789 V HN 0.399 nan 8.190 nan 0.000 0.436 790 V N 8.151 127.992 119.914 -0.122 0.000 2.370 790 V HA 0.596 4.716 4.120 -0.000 0.000 0.283 790 V C 0.138 176.136 176.094 -0.160 0.000 1.023 790 V CA -0.606 61.607 62.300 -0.145 0.000 0.857 790 V CB 1.473 33.241 31.823 -0.092 0.000 0.985 790 V HN 0.914 nan 8.190 nan 0.000 0.443 791 R N 3.494 123.848 120.500 -0.244 0.000 2.445 791 R HA 0.781 5.121 4.340 -0.000 0.000 0.308 791 R C -1.386 174.875 176.300 -0.066 0.000 0.961 791 R CA -0.644 55.347 56.100 -0.181 0.000 0.862 791 R CB 2.283 32.407 30.300 -0.294 0.000 1.144 791 R HN 0.494 nan 8.270 nan 0.000 0.447 792 V N 3.557 123.459 119.914 -0.020 0.000 2.447 792 V HA 0.174 4.294 4.120 -0.000 0.000 0.292 792 V C 0.579 176.689 176.094 0.027 0.000 1.021 792 V CA -0.580 61.725 62.300 0.009 0.000 0.850 792 V CB 1.544 33.356 31.823 -0.019 0.000 1.005 792 V HN 0.809 nan 8.190 nan 0.000 0.426 793 K N 4.197 124.621 120.400 0.041 0.000 2.099 793 K HA 0.256 4.576 4.320 -0.000 0.000 0.203 793 K C 0.662 177.267 176.600 0.009 0.000 1.047 793 K CA 0.621 56.923 56.287 0.024 0.000 0.963 793 K CB 0.455 32.962 32.500 0.013 0.000 0.759 793 K HN 0.786 nan 8.250 nan 0.000 0.451 794 R N -0.789 119.688 120.500 -0.039 0.000 2.709 794 R HA 0.333 4.673 4.340 -0.000 0.000 0.270 794 R C -1.561 174.714 176.300 -0.042 0.000 1.038 794 R CA -0.813 55.249 56.100 -0.064 0.000 0.872 794 R CB 0.809 31.015 30.300 -0.157 0.000 1.259 794 R HN -0.097 nan 8.270 nan 0.000 0.473 795 M N 0.930 120.516 119.600 -0.023 0.000 2.456 795 M HA 0.406 4.886 4.480 -0.000 0.000 0.324 795 M C 0.476 176.806 176.300 0.050 0.000 1.124 795 M CA -0.767 54.512 55.300 -0.035 0.000 0.959 795 M CB 2.457 34.960 32.600 -0.163 0.000 1.692 795 M HN 0.957 nan 8.290 nan 0.000 0.444 796 G N 1.699 110.483 108.800 -0.028 0.000 3.401 796 G HA2 0.494 4.454 3.960 -0.000 0.000 0.251 796 G HA3 0.494 4.454 3.960 -0.000 0.000 0.251 796 G C 0.353 175.173 174.900 -0.134 0.000 0.960 796 G CA 0.274 45.303 45.100 -0.119 0.000 1.900 796 G HN 1.090 nan 8.290 nan 0.000 0.645 797 G N -1.403 107.306 108.800 -0.151 0.000 2.712 797 G HA2 0.381 4.341 3.960 -0.000 0.000 0.686 797 G HA3 0.381 4.341 3.960 -0.000 0.000 0.686 797 G C 0.487 175.153 174.900 -0.389 0.000 1.181 797 G CA -0.316 44.587 45.100 -0.327 0.000 0.762 797 G HN 1.206 nan 8.290 nan 0.000 0.641 798 G N -0.669 107.725 108.800 -0.676 0.000 2.641 798 G HA2 0.530 4.490 3.960 -0.000 0.000 0.211 798 G HA3 0.530 4.490 3.960 -0.000 0.000 0.211 798 G C 0.854 175.671 174.900 -0.139 0.000 1.338 798 G CA 0.894 45.797 45.100 -0.327 0.000 0.572 798 G HN 1.749 nan 8.290 nan 0.000 1.023 799 F N 1.119 121.063 119.950 -0.009 0.000 3.106 799 F HA -0.175 4.352 4.527 -0.000 0.000 0.281 799 F C 2.006 177.779 175.800 -0.046 0.000 0.869 799 F CA 1.245 59.213 58.000 -0.054 0.000 1.014 799 F CB -1.617 37.282 39.000 -0.169 0.000 1.131 799 F HN 1.242 nan 8.300 nan 0.000 0.546 800 G N -1.402 107.444 108.800 0.078 0.000 2.279 800 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.223 800 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.223 800 G C 1.241 176.161 174.900 0.033 0.000 1.015 800 G CA 0.137 45.317 45.100 0.133 0.000 0.621 800 G HN 1.249 nan 8.290 nan 0.000 0.506 801 G N 0.153 108.740 108.800 -0.355 0.000 2.586 801 G HA2 0.175 4.135 3.960 -0.000 0.000 0.215 801 G HA3 0.175 4.135 3.960 -0.000 0.000 0.215 801 G C 1.080 175.925 174.900 -0.092 0.000 1.128 801 G CA 1.396 46.062 45.100 -0.724 0.000 0.774 801 G HN 0.536 nan 8.290 nan 0.000 0.543 802 K N -0.081 120.267 120.400 -0.087 0.000 2.646 802 K HA 0.311 4.631 4.320 -0.000 0.000 0.206 802 K C 1.155 177.744 176.600 -0.018 0.000 1.069 802 K CA -0.272 55.982 56.287 -0.056 0.000 1.067 802 K CB 1.342 33.677 32.500 -0.274 0.000 0.807 802 K HN 0.110 nan 8.250 nan 0.000 0.482 803 V N 0.420 120.350 119.914 0.027 0.000 2.725 803 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 803 V C 1.877 177.986 176.094 0.025 0.000 1.058 803 V CA 2.115 64.437 62.300 0.037 0.000 1.080 803 V CB 0.321 32.206 31.823 0.103 0.000 0.713 803 V HN 0.574 nan 8.190 nan 0.000 0.465 804 T N -4.333 110.256 114.554 0.058 0.000 3.336 804 T HA 0.056 4.406 4.350 -0.000 0.000 0.273 804 T C 1.724 176.471 174.700 0.078 0.000 0.932 804 T CA -0.386 61.744 62.100 0.050 0.000 0.995 804 T CB -0.083 68.840 68.868 0.090 0.000 1.213 804 T HN 0.127 nan 8.240 nan 0.000 0.502 805 R N 2.810 123.356 120.500 0.078 0.000 2.249 805 R HA 0.052 4.392 4.340 -0.000 0.000 0.230 805 R C 2.652 178.902 176.300 -0.083 0.000 1.121 805 R CA 1.444 57.549 56.100 0.008 0.000 0.997 805 R CB -1.334 28.960 30.300 -0.010 0.000 0.867 805 R HN 0.774 nan 8.270 nan 0.000 0.465 806 S N 0.071 115.804 115.700 0.055 0.000 2.447 806 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 806 S C 1.931 176.561 174.600 0.049 0.000 1.006 806 S CA 1.429 59.699 58.200 0.116 0.000 0.957 806 S CB -0.606 62.714 63.200 0.200 0.000 0.773 806 S HN 0.479 nan 8.310 nan 0.000 0.507 807 T N -0.241 114.350 114.554 0.063 0.000 2.962 807 T HA 0.046 4.396 4.350 -0.000 0.000 0.270 807 T C 1.668 176.401 174.700 0.056 0.000 1.088 807 T CA 0.897 63.063 62.100 0.110 0.000 1.127 807 T CB -0.869 68.188 68.868 0.316 0.000 0.883 807 T HN 0.222 nan 8.240 nan 0.000 0.493 808 V N 1.145 121.061 119.914 0.003 0.000 2.407 808 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 808 V C 2.812 178.863 176.094 -0.070 0.000 1.055 808 V CA 1.517 63.782 62.300 -0.058 0.000 1.049 808 V CB -0.406 31.374 31.823 -0.073 0.000 0.662 808 V HN 0.474 nan 8.190 nan 0.000 0.455 809 V N -1.131 118.756 119.914 -0.044 0.000 2.725 809 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 809 V C 2.403 178.506 176.094 0.015 0.000 1.058 809 V CA 1.562 63.859 62.300 -0.006 0.000 1.080 809 V CB -0.019 31.816 31.823 0.019 0.000 0.713 809 V HN 0.516 nan 8.190 nan 0.000 0.465 810 S N 1.114 116.826 115.700 0.020 0.000 2.356 810 S HA -0.218 4.252 4.470 -0.000 0.000 0.223 810 S C 2.257 176.865 174.600 0.013 0.000 1.032 810 S CA 2.117 60.336 58.200 0.031 0.000 1.005 810 S CB -0.523 62.700 63.200 0.038 0.000 0.867 810 S HN 0.847 nan 8.310 nan 0.000 0.449 811 T N 1.287 115.828 114.554 -0.022 0.000 2.746 811 T HA 0.028 4.378 4.350 -0.000 0.000 0.267 811 T C 1.966 176.622 174.700 -0.074 0.000 1.039 811 T CA 1.138 63.199 62.100 -0.065 0.000 1.142 811 T CB -0.663 68.120 68.868 -0.142 0.000 0.866 811 T HN 0.348 nan 8.240 nan 0.000 0.444 812 A N 1.307 124.067 122.820 -0.101 0.000 1.883 812 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 812 A C 2.662 180.315 177.584 0.115 0.000 1.186 812 A CA 1.824 53.874 52.037 0.021 0.000 0.624 812 A CB -1.179 17.861 19.000 0.067 0.000 0.822 812 A HN 0.422 nan 8.150 nan 0.000 0.444 813 V N -0.185 119.777 119.914 0.079 0.000 2.427 813 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 813 V C 3.028 179.176 176.094 0.089 0.000 1.051 813 V CA 1.735 64.088 62.300 0.088 0.000 1.048 813 V CB -1.314 30.558 31.823 0.082 0.000 0.666 813 V HN 0.627 nan 8.190 nan 0.000 0.456 814 A N 0.182 123.044 122.820 0.071 0.000 1.865 814 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 814 A C 2.185 179.836 177.584 0.111 0.000 1.191 814 A CA 2.257 54.337 52.037 0.073 0.000 0.623 814 A CB -0.696 18.325 19.000 0.036 0.000 0.826 814 A HN 0.438 nan 8.150 nan 0.000 0.444 815 L N -0.291 120.999 121.223 0.112 0.000 2.079 815 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 815 L C 2.675 179.667 176.870 0.204 0.000 1.081 815 L CA 2.147 57.094 54.840 0.178 0.000 0.752 815 L CB -0.853 41.325 42.059 0.198 0.000 0.896 815 L HN 0.375 nan 8.230 nan 0.000 0.433 816 A N -0.694 122.209 122.820 0.139 0.000 1.902 816 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 816 A C 2.447 180.072 177.584 0.068 0.000 1.181 816 A CA 1.738 53.825 52.037 0.083 0.000 0.623 816 A CB -1.080 17.959 19.000 0.064 0.000 0.818 816 A HN 0.543 nan 8.150 nan 0.000 0.443 817 A N -1.392 121.482 122.820 0.091 0.000 1.898 817 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 817 A C 2.152 179.780 177.584 0.074 0.000 1.181 817 A CA 1.631 53.711 52.037 0.071 0.000 0.620 817 A CB -0.806 18.244 19.000 0.085 0.000 0.819 817 A HN 0.823 nan 8.150 nan 0.000 0.442 818 Y N 0.308 120.613 120.300 0.008 0.000 2.242 818 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 818 Y C 2.164 178.062 175.900 -0.003 0.000 1.137 818 Y CA 2.237 60.340 58.100 0.003 0.000 1.181 818 Y CB -0.151 38.315 38.460 0.009 0.000 0.989 818 Y HN 0.186 nan 8.280 nan 0.000 0.527 819 K N -0.085 120.255 120.400 -0.101 0.000 2.062 819 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 819 K C 2.135 178.630 176.600 -0.176 0.000 1.051 819 K CA 1.897 58.073 56.287 -0.185 0.000 0.941 819 K CB -0.532 31.963 32.500 -0.008 0.000 0.719 819 K HN 0.536 nan 8.250 nan 0.000 0.440 820 T N -4.302 110.187 114.554 -0.108 0.000 3.057 820 T HA 0.191 4.541 4.350 -0.000 0.000 0.254 820 T C 1.489 176.132 174.700 -0.094 0.000 1.094 820 T CA 0.555 62.600 62.100 -0.092 0.000 1.088 820 T CB 0.181 69.013 68.868 -0.061 0.000 0.934 820 T HN 0.271 nan 8.240 nan 0.000 0.497 821 G N 1.836 110.573 108.800 -0.104 0.000 2.189 821 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 821 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 821 G C 0.212 175.076 174.900 -0.062 0.000 0.975 821 G CA 0.208 45.254 45.100 -0.089 0.000 0.644 821 G HN 0.684 nan 8.290 nan 0.000 0.537 822 R N 0.688 121.160 120.500 -0.047 0.000 2.668 822 R HA 0.487 4.827 4.340 -0.000 0.000 0.279 822 R C -2.535 173.758 176.300 -0.012 0.000 0.976 822 R CA -1.923 54.155 56.100 -0.038 0.000 0.978 822 R CB 1.687 31.971 30.300 -0.027 0.000 1.133 822 R HN 0.096 nan 8.270 nan 0.000 0.484 823 P HA 0.119 nan 4.420 nan 0.000 0.271 823 P C -0.685 176.660 177.300 0.075 0.000 1.218 823 P CA -0.112 63.017 63.100 0.050 0.000 0.780 823 P CB 0.927 32.675 31.700 0.079 0.000 0.901 824 V N 3.059 123.028 119.914 0.092 0.000 2.971 824 V HA 0.579 4.699 4.120 -0.000 0.000 0.309 824 V C 0.232 176.385 176.094 0.098 0.000 1.130 824 V CA -0.768 61.582 62.300 0.082 0.000 0.964 824 V CB 2.392 34.255 31.823 0.065 0.000 1.029 824 V HN 0.710 nan 8.190 nan 0.000 0.427 825 R N 1.446 121.998 120.500 0.086 0.000 2.888 825 R HA 0.952 5.292 4.340 -0.000 0.000 0.264 825 R C -1.424 174.923 176.300 0.078 0.000 1.045 825 R CA -0.683 55.469 56.100 0.087 0.000 0.962 825 R CB 1.911 32.258 30.300 0.078 0.000 1.210 825 R HN 0.749 nan 8.270 nan 0.000 0.479 826 C N 2.185 121.532 119.300 0.078 0.000 2.947 826 C HA 0.503 4.963 4.460 -0.000 0.000 0.401 826 C C -1.271 173.762 174.990 0.073 0.000 1.019 826 C CA -0.568 58.495 59.018 0.077 0.000 1.230 826 C CB 1.243 29.032 27.740 0.083 0.000 1.644 826 C HN 0.991 nan 8.230 nan 0.000 0.523 827 M N 7.635 127.276 119.600 0.069 0.000 2.046 827 M HA 0.511 4.991 4.480 -0.000 0.000 0.309 827 M C -0.974 175.370 176.300 0.073 0.000 0.935 827 M CA -0.509 54.828 55.300 0.062 0.000 0.915 827 M CB 0.765 33.398 32.600 0.055 0.000 1.474 827 M HN 0.718 nan 8.290 nan 0.000 0.415 828 L N 3.975 125.248 121.223 0.084 0.000 2.543 828 L HA 0.009 4.349 4.340 -0.000 0.000 0.285 828 L C 0.340 177.268 176.870 0.096 0.000 1.236 828 L CA 0.237 55.134 54.840 0.096 0.000 0.871 828 L CB -0.079 42.047 42.059 0.112 0.000 1.121 828 L HN 0.628 nan 8.230 nan 0.000 0.501 829 D N 1.269 121.734 120.400 0.107 0.000 2.354 829 D HA 0.072 4.712 4.640 -0.000 0.000 0.247 829 D C 0.955 177.336 176.300 0.136 0.000 1.138 829 D CA -0.453 53.622 54.000 0.126 0.000 0.958 829 D CB 0.886 41.767 40.800 0.135 0.000 1.144 829 D HN 0.338 nan 8.370 nan 0.000 0.458 830 R N 0.800 121.389 120.500 0.148 0.000 2.117 830 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 830 R C 1.428 177.801 176.300 0.122 0.000 1.143 830 R CA 1.900 58.059 56.100 0.098 0.000 0.968 830 R CB -0.183 30.176 30.300 0.099 0.000 0.863 830 R HN 0.534 nan 8.270 nan 0.000 0.444 831 D N -0.335 120.187 120.400 0.202 0.000 2.144 831 D HA -0.177 4.463 4.640 -0.000 0.000 0.200 831 D C 1.176 177.564 176.300 0.146 0.000 0.978 831 D CA 1.417 55.532 54.000 0.192 0.000 0.833 831 D CB -0.422 40.561 40.800 0.304 0.000 0.961 831 D HN 0.462 nan 8.370 nan 0.000 0.470 832 E N 0.458 120.745 120.200 0.144 0.000 2.046 832 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 832 E C 1.852 178.515 176.600 0.105 0.000 0.982 832 E CA 1.005 57.477 56.400 0.120 0.000 0.800 832 E CB -0.115 29.654 29.700 0.116 0.000 0.756 832 E HN 0.325 nan 8.360 nan 0.000 0.449 833 D N 1.055 121.524 120.400 0.114 0.000 2.092 833 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 833 D C 2.049 178.421 176.300 0.119 0.000 0.994 833 D CA 1.260 55.343 54.000 0.140 0.000 0.828 833 D CB 0.013 40.927 40.800 0.189 0.000 0.963 833 D HN 0.131 nan 8.370 nan 0.000 0.450 834 M N -0.163 119.480 119.600 0.073 0.000 2.159 834 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 834 M C 2.344 178.668 176.300 0.039 0.000 1.063 834 M CA 0.842 56.158 55.300 0.026 0.000 1.110 834 M CB -0.129 32.457 32.600 -0.023 0.000 1.374 834 M HN 0.111 nan 8.290 nan 0.000 0.411 835 L N 0.643 121.900 121.223 0.056 0.000 2.007 835 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 835 L C 2.059 178.975 176.870 0.077 0.000 1.073 835 L CA 1.808 56.685 54.840 0.063 0.000 0.744 835 L CB -0.477 41.625 42.059 0.072 0.000 0.898 835 L HN 0.183 nan 8.230 nan 0.000 0.435 836 I N -0.320 120.295 120.570 0.074 0.000 2.202 836 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 836 I C 2.284 178.423 176.117 0.037 0.000 1.091 836 I CA 1.749 63.084 61.300 0.059 0.000 1.368 836 I CB -0.876 37.153 38.000 0.048 0.000 1.058 836 I HN 0.489 nan 8.210 nan 0.000 0.410 837 T N -1.243 113.336 114.554 0.042 0.000 3.085 837 T HA 0.264 4.614 4.350 -0.000 0.000 0.263 837 T C 1.217 175.990 174.700 0.120 0.000 1.127 837 T CA 0.372 62.498 62.100 0.044 0.000 1.103 837 T CB -0.535 68.375 68.868 0.071 0.000 0.921 837 T HN 0.597 nan 8.240 nan 0.000 0.510 838 G N 0.019 108.893 108.800 0.123 0.000 2.749 838 G HA2 0.295 4.255 3.960 -0.000 0.000 0.242 838 G HA3 0.295 4.255 3.960 -0.000 0.000 0.242 838 G C 0.082 175.112 174.900 0.217 0.000 1.364 838 G CA -0.513 44.665 45.100 0.130 0.000 0.888 838 G HN 1.387 nan 8.290 nan 0.000 0.566 839 G N -1.560 107.344 108.800 0.174 0.000 2.726 839 G HA2 0.676 4.636 3.960 -0.000 0.000 0.198 839 G HA3 0.676 4.636 3.960 -0.000 0.000 0.198 839 G C -0.054 174.945 174.900 0.165 0.000 1.195 839 G CA 0.318 45.535 45.100 0.195 0.000 0.951 839 G HN 0.972 nan 8.290 nan 0.000 0.532 840 R N 0.180 120.773 120.500 0.156 0.000 2.679 840 R HA 0.173 4.513 4.340 -0.000 0.000 0.268 840 R C -0.600 175.754 176.300 0.089 0.000 1.044 840 R CA -0.140 56.032 56.100 0.119 0.000 1.105 840 R CB -0.071 30.103 30.300 -0.210 0.000 0.989 840 R HN 0.573 nan 8.270 nan 0.000 0.447 841 H N 4.416 123.535 119.070 0.081 0.000 2.848 841 H HA 0.180 4.736 4.556 -0.000 0.000 0.317 841 H C -2.000 173.453 175.328 0.209 0.000 1.046 841 H CA -1.268 54.871 56.048 0.152 0.000 1.470 841 H CB 0.799 30.706 29.762 0.242 0.000 1.483 841 H HN 0.453 nan 8.280 nan 0.000 0.548 842 P HA 0.100 nan 4.420 nan 0.000 0.275 842 P C -0.889 176.570 177.300 0.265 0.000 1.228 842 P CA 0.029 63.195 63.100 0.110 0.000 0.786 842 P CB 0.637 32.382 31.700 0.075 0.000 0.927 843 F N 1.731 121.574 119.950 -0.179 0.000 2.565 843 F HA 0.546 5.073 4.527 -0.000 0.000 0.313 843 F C -0.595 175.201 175.800 -0.006 0.000 1.091 843 F CA -0.741 57.249 58.000 -0.015 0.000 0.915 843 F CB 1.678 40.698 39.000 0.033 0.000 1.208 843 F HN 0.034 nan 8.300 nan 0.000 0.453 844 L N 3.406 124.815 121.223 0.310 0.000 2.376 844 L HA 0.907 5.247 4.340 -0.000 0.000 0.275 844 L C -1.226 175.873 176.870 0.381 0.000 0.987 844 L CA -0.363 54.687 54.840 0.351 0.000 0.828 844 L CB 1.237 43.477 42.059 0.302 0.000 1.249 844 L HN 0.637 nan 8.230 nan 0.000 0.409 845 A N 5.033 128.056 122.820 0.338 0.000 2.435 845 A HA 0.923 5.243 4.320 -0.000 0.000 0.304 845 A C -0.905 176.811 177.584 0.220 0.000 1.064 845 A CA -0.750 51.462 52.037 0.291 0.000 0.727 845 A CB 1.358 20.517 19.000 0.266 0.000 1.284 845 A HN 0.699 nan 8.150 nan 0.000 0.415 846 R N 0.792 121.390 120.500 0.165 0.000 2.439 846 R HA 0.572 4.912 4.340 -0.000 0.000 0.310 846 R C -1.441 174.906 176.300 0.078 0.000 0.955 846 R CA -0.369 55.759 56.100 0.046 0.000 0.853 846 R CB 1.535 31.867 30.300 0.053 0.000 1.171 846 R HN 0.798 nan 8.270 nan 0.000 0.449 847 Y N -0.736 119.607 120.300 0.072 0.000 2.598 847 Y HA 0.673 5.223 4.550 -0.000 0.000 0.340 847 Y C -0.756 175.151 175.900 0.012 0.000 1.038 847 Y CA -1.347 56.775 58.100 0.037 0.000 1.100 847 Y CB 1.859 40.376 38.460 0.095 0.000 1.281 847 Y HN 0.281 nan 8.280 nan 0.000 0.488 848 K N 2.514 123.049 120.400 0.225 0.000 2.687 848 K HA 0.539 4.859 4.320 -0.000 0.000 0.249 848 K C -2.452 174.296 176.600 0.246 0.000 0.994 848 K CA -0.657 55.721 56.287 0.153 0.000 0.913 848 K CB 2.158 34.630 32.500 -0.047 0.000 1.202 848 K HN 0.798 nan 8.250 nan 0.000 0.460 849 V N 3.166 123.215 119.914 0.225 0.000 2.459 849 V HA 0.798 4.918 4.120 -0.000 0.000 0.295 849 V C -0.326 176.021 176.094 0.423 0.000 1.029 849 V CA -0.184 62.182 62.300 0.110 0.000 0.874 849 V CB 1.478 33.170 31.823 -0.219 0.000 0.985 849 V HN 0.810 nan 8.190 nan 0.000 0.438 850 G N 6.194 115.182 108.800 0.314 0.000 2.417 850 G HA2 0.728 4.688 3.960 -0.000 0.000 0.320 850 G HA3 0.728 4.688 3.960 -0.000 0.000 0.320 850 G C -1.197 173.804 174.900 0.169 0.000 1.204 850 G CA -0.471 44.765 45.100 0.227 0.000 0.923 850 G HN 0.993 nan 8.290 nan 0.000 0.466 851 F N 0.574 120.528 119.950 0.007 0.000 2.715 851 F HA 0.781 5.308 4.527 -0.000 0.000 0.318 851 F C -0.594 175.204 175.800 -0.003 0.000 1.141 851 F CA -1.988 56.000 58.000 -0.019 0.000 0.950 851 F CB 1.143 40.136 39.000 -0.011 0.000 1.374 851 F HN 0.254 nan 8.300 nan 0.000 0.477 852 M N 0.922 120.611 119.600 0.149 0.000 2.513 852 M HA 0.405 4.885 4.480 -0.000 0.000 0.291 852 M C 0.678 177.070 176.300 0.154 0.000 1.190 852 M CA -0.576 54.760 55.300 0.060 0.000 0.960 852 M CB 1.257 33.884 32.600 0.045 0.000 1.517 852 M HN 0.783 nan 8.290 nan 0.000 0.499 853 K N 0.157 120.606 120.400 0.082 0.000 2.555 853 K HA -0.032 4.288 4.320 -0.000 0.000 0.193 853 K C 1.252 177.913 176.600 0.101 0.000 1.032 853 K CA 1.083 57.433 56.287 0.106 0.000 1.004 853 K CB -0.292 32.242 32.500 0.056 0.000 0.804 853 K HN 0.840 nan 8.250 nan 0.000 0.496 854 T N -3.641 110.965 114.554 0.086 0.000 3.086 854 T HA 0.225 4.575 4.350 -0.000 0.000 0.250 854 T C 1.395 176.129 174.700 0.057 0.000 1.074 854 T CA 0.414 62.549 62.100 0.060 0.000 0.988 854 T CB 0.586 69.476 68.868 0.038 0.000 0.988 854 T HN 0.304 nan 8.240 nan 0.000 0.530 855 G N 1.170 110.027 108.800 0.094 0.000 2.317 855 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 855 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 855 G C 0.333 175.249 174.900 0.028 0.000 1.042 855 G CA -0.089 45.034 45.100 0.039 0.000 0.623 855 G HN 0.692 nan 8.290 nan 0.000 0.509 856 T N 1.978 116.556 114.554 0.041 0.000 2.778 856 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 856 T C 0.583 175.324 174.700 0.068 0.000 0.983 856 T CA 0.720 62.833 62.100 0.021 0.000 1.193 856 T CB 1.658 70.532 68.868 0.011 0.000 0.938 856 T HN 1.363 nan 8.240 nan 0.000 0.523 857 V N 5.339 125.270 119.914 0.028 0.000 2.498 857 V HA 0.289 4.409 4.120 -0.000 0.000 0.279 857 V C 0.597 176.673 176.094 -0.030 0.000 1.048 857 V CA -0.052 62.277 62.300 0.048 0.000 0.967 857 V CB 1.028 32.850 31.823 -0.002 0.000 0.988 857 V HN 0.743 nan 8.190 nan 0.000 0.473 858 V N 5.784 125.664 119.914 -0.055 0.000 3.379 858 V HA 0.564 4.684 4.120 -0.000 0.000 0.249 858 V C 0.881 176.829 176.094 -0.243 0.000 1.184 858 V CA 0.823 63.048 62.300 -0.125 0.000 1.106 858 V CB 0.071 31.831 31.823 -0.105 0.000 0.826 858 V HN 1.100 nan 8.190 nan 0.000 0.465 859 A N 0.421 123.015 122.820 -0.376 0.000 2.539 859 A HA 0.879 5.199 4.320 -0.000 0.000 0.296 859 A C -1.847 175.377 177.584 -0.601 0.000 1.073 859 A CA -0.454 51.185 52.037 -0.663 0.000 0.700 859 A CB 2.485 20.674 19.000 -1.351 0.000 1.296 859 A HN 0.222 nan 8.150 nan 0.000 0.405 860 L N 0.317 121.255 121.223 -0.475 0.000 2.526 860 L HA 0.628 4.968 4.340 -0.000 0.000 0.263 860 L C -1.191 175.640 176.870 -0.065 0.000 0.943 860 L CA 0.144 54.813 54.840 -0.284 0.000 0.859 860 L CB 2.028 43.828 42.059 -0.432 0.000 1.313 860 L HN 0.788 nan 8.230 nan 0.000 0.406 861 E N 3.871 124.131 120.200 0.100 0.000 2.234 861 E HA 0.758 5.108 4.350 -0.000 0.000 0.266 861 E C -1.629 175.023 176.600 0.085 0.000 0.877 861 E CA -0.781 55.699 56.400 0.134 0.000 0.758 861 E CB 2.712 32.545 29.700 0.223 0.000 1.170 861 E HN 0.430 nan 8.360 nan 0.000 0.415 862 V N 3.163 123.119 119.914 0.070 0.000 2.612 862 V HA 0.237 4.357 4.120 -0.000 0.000 0.301 862 V C -1.098 174.953 176.094 -0.073 0.000 1.059 862 V CA -0.997 61.313 62.300 0.017 0.000 0.886 862 V CB 2.081 33.922 31.823 0.030 0.000 1.007 862 V HN 0.632 nan 8.190 nan 0.000 0.426 863 D N 2.804 123.148 120.400 -0.092 0.000 2.381 863 D HA 0.477 5.117 4.640 -0.000 0.000 0.235 863 D C -0.592 175.605 176.300 -0.172 0.000 1.068 863 D CA -0.279 53.662 54.000 -0.099 0.000 0.832 863 D CB 1.546 42.379 40.800 0.054 0.000 1.101 863 D HN 0.613 nan 8.370 nan 0.000 0.515 864 H N 0.935 119.933 119.070 -0.120 0.000 2.479 864 H HA 0.525 5.081 4.556 -0.000 0.000 0.335 864 H C -0.644 174.409 175.328 -0.458 0.000 1.142 864 H CA -0.355 55.659 56.048 -0.057 0.000 1.234 864 H CB 1.027 30.830 29.762 0.068 0.000 1.503 864 H HN 0.221 nan 8.280 nan 0.000 0.510 865 F N 0.748 120.654 119.950 -0.074 0.000 2.557 865 F HA 0.369 4.896 4.527 -0.000 0.000 0.316 865 F C -0.427 175.146 175.800 -0.378 0.000 1.141 865 F CA -0.813 57.101 58.000 -0.144 0.000 0.922 865 F CB 1.921 40.922 39.000 0.003 0.000 1.194 865 F HN 0.518 nan 8.300 nan 0.000 0.443 866 S N 2.149 117.698 115.700 -0.252 0.000 2.500 866 S HA 0.458 4.928 4.470 -0.000 0.000 0.301 866 S C -0.983 173.645 174.600 0.047 0.000 1.092 866 S CA -0.901 57.113 58.200 -0.309 0.000 1.030 866 S CB 1.788 64.683 63.200 -0.507 0.000 1.031 866 S HN 0.570 nan 8.310 nan 0.000 0.483 867 N N 2.520 121.270 118.700 0.082 0.000 2.415 867 N HA 0.109 4.849 4.740 -0.000 0.000 0.246 867 N C 0.736 176.280 175.510 0.057 0.000 1.078 867 N CA -0.180 52.912 53.050 0.071 0.000 0.942 867 N CB 1.498 39.997 38.487 0.019 0.000 1.140 867 N HN 0.716 nan 8.380 nan 0.000 0.501 868 V N 2.578 122.572 119.914 0.134 0.000 3.307 868 V HA 0.400 4.520 4.120 -0.000 0.000 0.253 868 V C 0.956 177.062 176.094 0.020 0.000 1.149 868 V CA 1.495 63.856 62.300 0.102 0.000 1.112 868 V CB -0.760 31.253 31.823 0.317 0.000 0.777 868 V HN 0.814 nan 8.190 nan 0.000 0.464 869 G N 1.722 110.562 108.800 0.067 0.000 2.428 869 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.202 869 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.202 869 G C 0.061 175.019 174.900 0.096 0.000 1.247 869 G CA 0.154 45.266 45.100 0.020 0.000 1.020 869 G HN 1.060 nan 8.290 nan 0.000 0.529 870 N N 0.541 119.253 118.700 0.021 0.000 2.314 870 N HA 0.265 5.005 4.740 -0.000 0.000 0.200 870 N C 0.613 176.163 175.510 0.066 0.000 1.135 870 N CA 1.429 54.489 53.050 0.017 0.000 0.835 870 N CB 0.045 38.459 38.487 -0.122 0.000 0.989 870 N HN 1.566 nan 8.380 nan 0.000 0.478 871 T N -5.371 109.215 114.554 0.054 0.000 2.889 871 T HA 0.207 4.557 4.350 -0.000 0.000 0.315 871 T C 0.300 174.776 174.700 -0.372 0.000 1.291 871 T CA -0.796 61.261 62.100 -0.072 0.000 1.028 871 T CB 2.123 70.948 68.868 -0.071 0.000 1.235 871 T HN -0.040 nan 8.240 nan 0.000 0.491 872 Q N 0.371 119.785 119.800 -0.642 0.000 2.172 872 Q HA 0.007 4.347 4.340 -0.000 0.000 0.200 872 Q C 0.946 176.778 176.000 -0.281 0.000 0.964 872 Q CA 1.725 57.042 55.803 -0.810 0.000 0.855 872 Q CB -0.216 28.111 28.738 -0.685 0.000 0.918 872 Q HN 0.953 nan 8.270 nan 0.000 0.444 873 D N -0.870 119.451 120.400 -0.131 0.000 3.740 873 D HA -0.314 4.326 4.640 -0.000 0.000 0.147 873 D C 0.252 176.572 176.300 0.033 0.000 0.885 873 D CA 2.509 56.511 54.000 0.003 0.000 1.051 873 D CB -1.085 39.746 40.800 0.051 0.000 0.480 873 D HN 0.270 nan 8.370 nan 0.000 0.469 874 L N 0.238 121.511 121.223 0.084 0.000 2.667 874 L HA 0.267 4.607 4.340 -0.000 0.000 0.232 874 L C 2.103 178.952 176.870 -0.036 0.000 1.138 874 L CA 0.203 55.105 54.840 0.103 0.000 0.921 874 L CB 0.051 42.261 42.059 0.251 0.000 1.180 874 L HN 0.174 nan 8.230 nan 0.000 0.487 875 S N 0.443 116.100 115.700 -0.071 0.000 2.393 875 S HA -0.385 4.085 4.470 -0.000 0.000 0.235 875 S C 1.867 176.355 174.600 -0.187 0.000 1.061 875 S CA 2.054 60.148 58.200 -0.177 0.000 1.129 875 S CB -0.256 62.911 63.200 -0.056 0.000 1.011 875 S HN 0.520 nan 8.310 nan 0.000 0.436 876 Q N 0.448 120.186 119.800 -0.103 0.000 2.077 876 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 876 Q C 2.310 178.265 176.000 -0.074 0.000 0.989 876 Q CA 1.815 57.561 55.803 -0.096 0.000 0.853 876 Q CB -0.197 28.501 28.738 -0.066 0.000 0.907 876 Q HN 0.498 nan 8.270 nan 0.000 0.418 877 S N 0.299 116.013 115.700 0.023 0.000 2.382 877 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 877 S C 1.816 176.502 174.600 0.145 0.000 1.027 877 S CA 1.066 59.380 58.200 0.190 0.000 0.991 877 S CB -0.187 63.267 63.200 0.423 0.000 0.823 877 S HN 0.360 nan 8.310 nan 0.000 0.469 878 I N 0.684 121.096 120.570 -0.263 0.000 2.315 878 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 878 I C 2.399 178.385 176.117 -0.220 0.000 1.117 878 I CA 1.019 61.965 61.300 -0.588 0.000 1.404 878 I CB -0.237 37.239 38.000 -0.873 0.000 1.071 878 I HN 0.301 nan 8.210 nan 0.000 0.419 879 M N 0.914 120.412 119.600 -0.170 0.000 2.254 879 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 879 M C 1.915 178.138 176.300 -0.129 0.000 1.066 879 M CA 1.770 57.012 55.300 -0.097 0.000 1.123 879 M CB -0.402 32.104 32.600 -0.156 0.000 1.388 879 M HN 0.096 nan 8.290 nan 0.000 0.425 880 E N -0.626 119.495 120.200 -0.132 0.000 2.047 880 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 880 E C 2.162 178.620 176.600 -0.236 0.000 0.987 880 E CA 1.231 57.499 56.400 -0.220 0.000 0.799 880 E CB -0.298 29.359 29.700 -0.072 0.000 0.752 880 E HN 0.514 nan 8.360 nan 0.000 0.449 881 R N 0.924 121.494 120.500 0.117 0.000 2.091 881 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 881 R C 2.254 178.682 176.300 0.212 0.000 1.136 881 R CA 1.403 57.707 56.100 0.340 0.000 0.959 881 R CB -0.249 30.242 30.300 0.320 0.000 0.856 881 R HN 0.156 nan 8.270 nan 0.000 0.437 882 A N 1.167 123.993 122.820 0.010 0.000 1.865 882 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 882 A C 2.221 179.767 177.584 -0.063 0.000 1.191 882 A CA 1.554 53.542 52.037 -0.083 0.000 0.623 882 A CB -0.706 18.221 19.000 -0.121 0.000 0.826 882 A HN 0.386 nan 8.150 nan 0.000 0.444 883 L N -1.960 119.185 121.223 -0.129 0.000 2.131 883 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 883 L C 2.247 179.200 176.870 0.138 0.000 1.092 883 L CA 0.993 55.795 54.840 -0.065 0.000 0.759 883 L CB -0.485 41.503 42.059 -0.118 0.000 0.903 883 L HN 0.358 nan 8.230 nan 0.000 0.435 884 F N -0.853 119.134 119.950 0.060 0.000 2.546 884 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 884 F C 1.530 177.282 175.800 -0.081 0.000 1.120 884 F CA 0.901 58.780 58.000 -0.201 0.000 1.456 884 F CB -0.556 38.177 39.000 -0.444 0.000 1.088 884 F HN 0.175 nan 8.300 nan 0.000 0.572 885 H N -1.540 117.684 119.070 0.257 0.000 2.567 885 H HA 0.191 4.747 4.556 -0.000 0.000 0.267 885 H C 1.712 177.091 175.328 0.086 0.000 1.148 885 H CA -0.023 56.115 56.048 0.150 0.000 1.031 885 H CB -0.305 29.413 29.762 -0.073 0.000 1.691 885 H HN 0.205 nan 8.280 nan 0.000 0.588 886 M N -0.415 119.310 119.600 0.209 0.000 2.686 886 M HA 0.013 4.493 4.480 -0.000 0.000 0.246 886 M C 0.494 176.891 176.300 0.162 0.000 1.096 886 M CA 1.176 56.588 55.300 0.186 0.000 1.076 886 M CB 0.249 32.995 32.600 0.244 0.000 1.504 886 M HN 0.089 nan 8.290 nan 0.000 0.524 887 D N -0.849 119.597 120.400 0.077 0.000 2.379 887 D HA 0.022 4.662 4.640 -0.000 0.000 0.218 887 D C 0.878 177.233 176.300 0.092 0.000 1.006 887 D CA 0.476 54.537 54.000 0.100 0.000 0.893 887 D CB -0.347 40.477 40.800 0.039 0.000 1.019 887 D HN 0.484 nan 8.370 nan 0.000 0.503 888 N N -0.145 118.597 118.700 0.070 0.000 2.639 888 N HA -0.264 4.476 4.740 -0.000 0.000 0.188 888 N C -0.186 175.298 175.510 -0.043 0.000 0.541 888 N CA 2.839 55.862 53.050 -0.044 0.000 1.646 888 N CB -1.433 36.935 38.487 -0.199 0.000 1.456 888 N HN 0.371 nan 8.380 nan 0.000 0.391 889 C N -0.618 118.411 119.300 -0.451 0.000 3.240 889 C HA 0.468 4.928 4.460 -0.000 0.000 0.271 889 C C -1.017 173.658 174.990 -0.526 0.000 1.534 889 C CA -0.638 58.235 59.018 -0.242 0.000 1.796 889 C CB -1.479 26.121 27.740 -0.234 0.000 2.892 889 C HN 0.390 nan 8.230 nan 0.000 0.566 890 Y N 1.178 121.337 120.300 -0.235 0.000 2.341 890 Y HA 0.419 4.969 4.550 -0.000 0.000 0.337 890 Y C 0.310 175.722 175.900 -0.812 0.000 1.014 890 Y CA -1.262 56.574 58.100 -0.440 0.000 1.111 890 Y CB 0.603 38.961 38.460 -0.171 0.000 1.194 890 Y HN -0.001 nan 8.280 nan 0.000 0.462 891 K N 3.608 123.560 120.400 -0.746 0.000 2.316 891 K HA 0.503 4.823 4.320 -0.000 0.000 0.289 891 K C -1.518 174.944 176.600 -0.231 0.000 1.070 891 K CA -0.270 55.623 56.287 -0.657 0.000 0.928 891 K CB 0.118 32.357 32.500 -0.434 0.000 1.039 891 K HN 0.643 nan 8.250 nan 0.000 0.480 892 I N 8.025 128.512 120.570 -0.138 0.000 2.411 892 I HA 0.244 4.414 4.170 -0.000 0.000 0.284 892 I C -1.831 174.248 176.117 -0.063 0.000 1.012 892 I CA -2.362 58.885 61.300 -0.089 0.000 1.119 892 I CB 1.785 39.733 38.000 -0.086 0.000 1.261 892 I HN 0.584 nan 8.210 nan 0.000 0.448 893 P HA -0.071 nan 4.420 nan 0.000 0.216 893 P C -0.388 176.878 177.300 -0.055 0.000 1.150 893 P CA 1.336 64.405 63.100 -0.052 0.000 0.837 893 P CB 0.193 31.856 31.700 -0.062 0.000 0.786 894 N N 0.123 118.762 118.700 -0.103 0.000 2.483 894 N HA 0.394 5.134 4.740 -0.000 0.000 0.267 894 N C -0.815 174.611 175.510 -0.141 0.000 0.998 894 N CA -0.297 52.681 53.050 -0.119 0.000 0.918 894 N CB 1.998 40.377 38.487 -0.180 0.000 1.215 894 N HN 0.059 nan 8.380 nan 0.000 0.500 895 I N 0.677 121.214 120.570 -0.055 0.000 2.802 895 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 895 I C -1.366 174.778 176.117 0.044 0.000 1.176 895 I CA -0.804 60.477 61.300 -0.032 0.000 1.025 895 I CB 2.598 40.591 38.000 -0.011 0.000 1.243 895 I HN 0.329 nan 8.210 nan 0.000 0.424 896 R N 5.124 125.658 120.500 0.056 0.000 2.515 896 R HA 0.656 4.996 4.340 -0.000 0.000 0.291 896 R C -1.601 174.771 176.300 0.120 0.000 1.046 896 R CA -0.571 55.589 56.100 0.100 0.000 0.914 896 R CB 1.923 32.277 30.300 0.090 0.000 1.191 896 R HN 0.833 nan 8.270 nan 0.000 0.435 897 G N 1.883 110.782 108.800 0.165 0.000 2.643 897 G HA2 0.530 4.490 3.960 -0.000 0.000 0.305 897 G HA3 0.530 4.490 3.960 -0.000 0.000 0.305 897 G C -0.832 174.174 174.900 0.178 0.000 1.387 897 G CA -0.447 44.780 45.100 0.211 0.000 0.982 897 G HN 0.577 nan 8.290 nan 0.000 0.501 898 T N -1.173 113.471 114.554 0.151 0.000 2.901 898 T HA 0.878 5.228 4.350 -0.000 0.000 0.293 898 T C -0.069 174.635 174.700 0.006 0.000 1.084 898 T CA -0.555 61.566 62.100 0.034 0.000 1.008 898 T CB 2.335 71.169 68.868 -0.056 0.000 1.170 898 T HN 1.383 nan 8.240 nan 0.000 0.509 899 G N 0.743 109.452 108.800 -0.152 0.000 2.706 899 G HA2 0.661 4.621 3.960 -0.000 0.000 0.297 899 G HA3 0.661 4.621 3.960 -0.000 0.000 0.297 899 G C -1.582 173.086 174.900 -0.386 0.000 1.403 899 G CA -0.976 43.974 45.100 -0.250 0.000 0.954 899 G HN 0.650 nan 8.290 nan 0.000 0.500 900 R N 0.827 121.032 120.500 -0.492 0.000 2.628 900 R HA 0.386 4.726 4.340 -0.000 0.000 0.288 900 R C -0.827 175.388 176.300 -0.142 0.000 0.980 900 R CA -0.859 54.979 56.100 -0.437 0.000 0.891 900 R CB 2.065 31.915 30.300 -0.749 0.000 1.188 900 R HN 0.456 nan 8.270 nan 0.000 0.450 901 L N 2.885 124.121 121.223 0.022 0.000 2.268 901 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 901 L C -0.061 177.051 176.870 0.403 0.000 1.064 901 L CA -0.740 54.215 54.840 0.191 0.000 0.824 901 L CB 0.886 43.076 42.059 0.219 0.000 1.202 901 L HN 0.441 nan 8.230 nan 0.000 0.433 902 C N 3.313 122.825 119.300 0.353 0.000 2.555 902 C HA 0.114 4.574 4.460 -0.000 0.000 0.385 902 C C 0.955 175.989 174.990 0.074 0.000 1.296 902 C CA -0.738 58.429 59.018 0.250 0.000 1.757 902 C CB -0.240 27.617 27.740 0.195 0.000 2.445 902 C HN 0.657 nan 8.230 nan 0.000 0.571 903 K N 3.428 123.700 120.400 -0.214 0.000 2.310 903 K HA 0.352 4.672 4.320 -0.000 0.000 0.290 903 K C 0.299 176.758 176.600 -0.235 0.000 1.077 903 K CA 0.277 56.312 56.287 -0.421 0.000 0.922 903 K CB 0.338 32.330 32.500 -0.847 0.000 1.057 903 K HN 0.914 nan 8.250 nan 0.000 0.479 904 T N 0.441 114.930 114.554 -0.109 0.000 2.906 904 T HA 0.265 4.615 4.350 -0.000 0.000 0.295 904 T C -0.113 174.519 174.700 -0.113 0.000 1.075 904 T CA -1.082 60.945 62.100 -0.121 0.000 1.005 904 T CB 1.087 69.894 68.868 -0.102 0.000 1.136 904 T HN 0.503 nan 8.240 nan 0.000 0.498 905 N N 0.959 119.582 118.700 -0.129 0.000 3.243 905 N HA 0.420 5.160 4.740 -0.000 0.000 0.310 905 N C -0.748 174.710 175.510 -0.087 0.000 1.313 905 N CA -0.102 52.877 53.050 -0.119 0.000 1.204 905 N CB -0.376 38.049 38.487 -0.104 0.000 1.483 905 N HN 0.391 nan 8.380 nan 0.000 0.553 906 L N 0.202 121.370 121.223 -0.092 0.000 2.327 906 L HA 0.623 4.963 4.340 -0.000 0.000 0.258 906 L C -2.212 174.626 176.870 -0.054 0.000 1.024 906 L CA -2.538 52.249 54.840 -0.088 0.000 0.825 906 L CB 2.358 44.308 42.059 -0.182 0.000 1.386 906 L HN 0.047 nan 8.230 nan 0.000 0.417 907 P HA -0.015 nan 4.420 nan 0.000 0.268 907 P C -0.530 176.756 177.300 -0.024 0.000 1.205 907 P CA -0.060 63.038 63.100 -0.003 0.000 0.771 907 P CB 1.046 32.776 31.700 0.050 0.000 0.858 908 S N 3.126 118.807 115.700 -0.031 0.000 2.525 908 S HA 0.039 4.509 4.470 -0.000 0.000 0.285 908 S C 0.487 175.067 174.600 -0.034 0.000 1.283 908 S CA -0.300 57.879 58.200 -0.034 0.000 1.072 908 S CB -0.865 62.318 63.200 -0.028 0.000 0.867 908 S HN 0.298 nan 8.310 nan 0.000 0.492 909 N N 2.536 121.157 118.700 -0.131 0.000 2.379 909 N HA 0.407 5.147 4.740 -0.000 0.000 0.260 909 N C 0.374 175.876 175.510 -0.013 0.000 1.254 909 N CA -0.159 52.773 53.050 -0.197 0.000 0.958 909 N CB 1.355 39.438 38.487 -0.673 0.000 1.208 909 N HN 0.721 nan 8.380 nan 0.000 0.532 910 T N -1.757 112.897 114.554 0.168 0.000 2.606 910 T HA 0.592 4.942 4.350 -0.000 0.000 0.280 910 T C -1.435 173.501 174.700 0.393 0.000 1.074 910 T CA -0.430 61.863 62.100 0.322 0.000 1.140 910 T CB 0.048 69.072 68.868 0.260 0.000 1.631 910 T HN 0.462 nan 8.240 nan 0.000 0.464 911 A N 1.041 124.094 122.820 0.389 0.000 2.401 911 A HA 0.650 4.970 4.320 -0.000 0.000 0.259 911 A C -1.075 176.849 177.584 0.567 0.000 1.103 911 A CA -0.053 52.264 52.037 0.467 0.000 0.789 911 A CB -0.508 18.873 19.000 0.634 0.000 1.035 911 A HN 0.617 nan 8.150 nan 0.000 0.491 912 F N 1.775 121.937 119.950 0.353 0.000 2.588 912 F HA 0.437 4.964 4.527 -0.000 0.000 0.314 912 F C 0.367 176.308 175.800 0.235 0.000 1.134 912 F CA -1.065 57.109 58.000 0.289 0.000 0.961 912 F CB 1.543 40.564 39.000 0.035 0.000 1.239 912 F HN 0.762 nan 8.300 nan 0.000 0.448 913 R N 3.322 124.223 120.500 0.668 0.000 3.411 913 R HA 0.178 4.518 4.340 -0.000 0.000 0.241 913 R C 0.967 177.460 176.300 0.321 0.000 0.689 913 R CA 2.047 58.410 56.100 0.439 0.000 1.022 913 R CB -0.643 29.915 30.300 0.431 0.000 0.958 913 R HN 1.195 nan 8.270 nan 0.000 0.361 914 G N 3.676 112.629 108.800 0.254 0.000 2.481 914 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.200 914 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.200 914 G C 0.195 175.351 174.900 0.427 0.000 1.012 914 G CA -0.144 45.116 45.100 0.267 0.000 0.676 914 G HN 0.731 nan 8.290 nan 0.000 0.488 915 F N 1.030 121.086 119.950 0.176 0.000 2.866 915 F HA 0.049 4.576 4.527 -0.000 0.000 0.254 915 F C 1.859 177.682 175.800 0.037 0.000 1.009 915 F CA 2.683 60.761 58.000 0.129 0.000 0.907 915 F CB -0.968 38.111 39.000 0.133 0.000 0.859 915 F HN 1.994 nan 8.300 nan 0.000 0.842 916 G N -0.421 108.325 108.800 -0.090 0.000 2.336 916 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.233 916 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.233 916 G C 1.554 176.319 174.900 -0.225 0.000 1.053 916 G CA 0.705 45.683 45.100 -0.203 0.000 0.625 916 G HN 1.508 nan 8.290 nan 0.000 0.511 917 G N 1.910 110.614 108.800 -0.161 0.000 2.491 917 G HA2 0.006 3.966 3.960 -0.000 0.000 0.218 917 G HA3 0.006 3.966 3.960 -0.000 0.000 0.218 917 G C 0.113 174.868 174.900 -0.241 0.000 1.180 917 G CA 2.061 46.970 45.100 -0.319 0.000 0.774 917 G HN 0.558 nan 8.290 nan 0.000 0.562 918 P HA -0.098 nan 4.420 nan 0.000 0.217 918 P C 1.777 179.033 177.300 -0.073 0.000 1.148 918 P CA 1.345 64.455 63.100 0.016 0.000 0.828 918 P CB 0.028 31.782 31.700 0.089 0.000 0.783 919 Q N -0.982 118.648 119.800 -0.284 0.000 1.994 919 Q HA -0.016 4.324 4.340 -0.000 0.000 0.198 919 Q C 2.487 178.301 176.000 -0.310 0.000 0.976 919 Q CA 1.901 57.442 55.803 -0.437 0.000 0.828 919 Q CB -1.599 26.422 28.738 -1.196 0.000 0.894 919 Q HN 0.195 nan 8.270 nan 0.000 0.432 920 G N 0.336 108.941 108.800 -0.324 0.000 2.440 920 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 920 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 920 G C 1.377 176.212 174.900 -0.108 0.000 1.154 920 G CA 1.121 46.152 45.100 -0.115 0.000 0.767 920 G HN 0.218 nan 8.290 nan 0.000 0.552 921 M N -0.545 118.852 119.600 -0.337 0.000 2.254 921 M HA 0.115 4.595 4.480 -0.000 0.000 0.265 921 M C 2.410 178.470 176.300 -0.400 0.000 1.066 921 M CA 0.661 55.599 55.300 -0.603 0.000 1.123 921 M CB -0.191 31.531 32.600 -1.464 0.000 1.388 921 M HN 0.250 nan 8.290 nan 0.000 0.425 922 L N 0.769 121.907 121.223 -0.142 0.000 2.141 922 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 922 L C 2.046 178.914 176.870 -0.003 0.000 1.094 922 L CA 1.622 56.539 54.840 0.128 0.000 0.763 922 L CB -0.294 41.745 42.059 -0.034 0.000 0.908 922 L HN 0.204 nan 8.230 nan 0.000 0.437 923 I N -0.720 119.839 120.570 -0.019 0.000 2.252 923 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 923 I C 2.584 178.547 176.117 -0.257 0.000 1.102 923 I CA 1.062 62.375 61.300 0.021 0.000 1.385 923 I CB -0.657 37.477 38.000 0.224 0.000 1.064 923 I HN 0.337 nan 8.210 nan 0.000 0.414 924 A N 0.503 123.137 122.820 -0.309 0.000 1.877 924 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 924 A C 2.197 179.017 177.584 -1.273 0.000 1.186 924 A CA 1.551 53.067 52.037 -0.868 0.000 0.620 924 A CB -0.467 18.342 19.000 -0.318 0.000 0.822 924 A HN 0.312 nan 8.150 nan 0.000 0.443 925 E N -0.574 119.272 120.200 -0.591 0.000 2.265 925 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 925 E C 2.000 178.136 176.600 -0.773 0.000 0.996 925 E CA 0.828 56.845 56.400 -0.639 0.000 0.832 925 E CB -0.944 28.492 29.700 -0.441 0.000 0.756 925 E HN 0.645 nan 8.360 nan 0.000 0.491 926 C N 1.398 120.437 119.300 -0.435 0.000 2.491 926 C HA -0.113 4.347 4.460 -0.000 0.000 0.283 926 C C 2.675 177.477 174.990 -0.312 0.000 1.238 926 C CA 1.154 60.091 59.018 -0.135 0.000 1.735 926 C CB -1.425 26.318 27.740 0.005 0.000 2.080 926 C HN 0.732 nan 8.230 nan 0.000 0.463 927 W N 0.535 121.541 121.300 -0.491 0.000 2.392 927 W HA -0.123 4.537 4.660 -0.000 0.000 0.279 927 W C 2.005 178.311 176.519 -0.355 0.000 1.225 927 W CA 1.058 58.085 57.345 -0.531 0.000 1.233 927 W CB -1.346 27.637 29.460 -0.795 0.000 1.122 927 W HN 0.339 nan 8.180 nan 0.000 0.561 928 M N 3.279 122.542 119.600 -0.561 0.000 2.229 928 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 928 M C 2.442 178.512 176.300 -0.382 0.000 1.063 928 M CA 2.526 57.520 55.300 -0.509 0.000 1.114 928 M CB -0.835 31.235 32.600 -0.884 0.000 1.387 928 M HN 0.055 nan 8.290 nan 0.000 0.420 929 S N -0.682 114.784 115.700 -0.390 0.000 2.423 929 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 929 S C 1.662 176.175 174.600 -0.145 0.000 1.014 929 S CA 1.216 59.256 58.200 -0.266 0.000 0.965 929 S CB -0.754 62.301 63.200 -0.242 0.000 0.785 929 S HN 0.682 nan 8.310 nan 0.000 0.495 930 E N 1.032 121.164 120.200 -0.114 0.000 2.112 930 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 930 E C 2.170 178.675 176.600 -0.158 0.000 0.979 930 E CA 0.926 57.293 56.400 -0.054 0.000 0.814 930 E CB -0.396 29.339 29.700 0.058 0.000 0.762 930 E HN 0.384 nan 8.360 nan 0.000 0.460 931 V N 2.011 121.735 119.914 -0.317 0.000 2.324 931 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 931 V C 2.428 178.271 176.094 -0.419 0.000 1.060 931 V CA 2.107 63.971 62.300 -0.727 0.000 1.042 931 V CB -0.783 30.630 31.823 -0.683 0.000 0.650 931 V HN 0.309 nan 8.190 nan 0.000 0.450 932 A N -0.419 122.257 122.820 -0.239 0.000 1.855 932 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 932 A C 2.392 179.946 177.584 -0.049 0.000 1.191 932 A CA 1.938 53.903 52.037 -0.121 0.000 0.613 932 A CB -0.800 18.142 19.000 -0.097 0.000 0.829 932 A HN 0.304 nan 8.150 nan 0.000 0.442 933 V N 0.197 120.090 119.914 -0.035 0.000 2.324 933 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 933 V C 2.727 178.848 176.094 0.046 0.000 1.060 933 V CA 2.595 64.906 62.300 0.019 0.000 1.042 933 V CB -1.264 30.579 31.823 0.033 0.000 0.650 933 V HN 0.645 nan 8.190 nan 0.000 0.450 934 T N -1.930 112.653 114.554 0.049 0.000 2.904 934 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 934 T C 1.628 176.422 174.700 0.157 0.000 1.059 934 T CA 1.600 63.781 62.100 0.134 0.000 1.137 934 T CB -0.382 68.638 68.868 0.253 0.000 0.879 934 T HN 0.544 nan 8.240 nan 0.000 0.467 935 C N 1.202 120.570 119.300 0.113 0.000 2.626 935 C HA 0.453 4.913 4.460 -0.000 0.000 0.266 935 C C 2.135 177.172 174.990 0.077 0.000 1.317 935 C CA -0.493 58.597 59.018 0.120 0.000 1.716 935 C CB -1.449 26.348 27.740 0.096 0.000 1.819 935 C HN 0.777 nan 8.230 nan 0.000 0.578 936 G N 1.254 110.093 108.800 0.065 0.000 2.258 936 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.274 936 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.274 936 G C -0.129 174.801 174.900 0.050 0.000 1.021 936 G CA 0.512 45.645 45.100 0.056 0.000 0.798 936 G HN 0.564 nan 8.290 nan 0.000 0.507 937 M N -0.412 119.214 119.600 0.043 0.000 2.578 937 M HA 0.432 4.912 4.480 -0.000 0.000 0.321 937 M C -2.331 173.999 176.300 0.049 0.000 1.182 937 M CA -2.244 53.083 55.300 0.045 0.000 0.965 937 M CB 1.598 34.221 32.600 0.037 0.000 1.694 937 M HN -0.170 nan 8.290 nan 0.000 0.461 938 P HA 0.051 nan 4.420 nan 0.000 0.263 938 P C -0.151 177.204 177.300 0.092 0.000 1.195 938 P CA 0.167 63.328 63.100 0.102 0.000 0.762 938 P CB 0.595 32.382 31.700 0.145 0.000 0.799 939 A N 5.014 127.886 122.820 0.086 0.000 1.948 939 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 939 A C 1.944 179.580 177.584 0.087 0.000 1.177 939 A CA 1.740 53.807 52.037 0.050 0.000 0.636 939 A CB -0.853 18.172 19.000 0.042 0.000 0.815 939 A HN 0.654 nan 8.150 nan 0.000 0.449 940 E N 0.372 120.669 120.200 0.160 0.000 2.204 940 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 940 E C 1.731 178.480 176.600 0.248 0.000 0.990 940 E CA 1.512 58.053 56.400 0.235 0.000 0.821 940 E CB -0.539 29.188 29.700 0.045 0.000 0.750 940 E HN 0.811 nan 8.360 nan 0.000 0.477 941 E N 0.897 121.198 120.200 0.168 0.000 2.046 941 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 941 E C 2.275 178.893 176.600 0.029 0.000 0.982 941 E CA 1.063 57.534 56.400 0.118 0.000 0.800 941 E CB 0.220 29.987 29.700 0.111 0.000 0.756 941 E HN 0.142 nan 8.360 nan 0.000 0.449 942 V N 1.543 121.455 119.914 -0.003 0.000 2.332 942 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 942 V C 2.508 178.507 176.094 -0.158 0.000 1.055 942 V CA 2.041 64.294 62.300 -0.079 0.000 1.038 942 V CB -0.535 31.224 31.823 -0.108 0.000 0.651 942 V HN 0.259 nan 8.190 nan 0.000 0.450 943 R N -0.502 119.905 120.500 -0.154 0.000 2.066 943 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 943 R C 2.563 178.721 176.300 -0.238 0.000 1.131 943 R CA 1.457 57.423 56.100 -0.223 0.000 0.955 943 R CB -0.446 29.810 30.300 -0.073 0.000 0.851 943 R HN 0.411 nan 8.270 nan 0.000 0.432 944 R N 2.179 122.514 120.500 -0.275 0.000 2.096 944 R HA -0.210 4.130 4.340 -0.000 0.000 0.240 944 R C 2.070 178.249 176.300 -0.202 0.000 1.139 944 R CA 2.349 58.222 56.100 -0.379 0.000 0.952 944 R CB -0.108 30.120 30.300 -0.121 0.000 0.854 944 R HN 0.233 nan 8.270 nan 0.000 0.436 945 K N -0.963 119.370 120.400 -0.112 0.000 2.288 945 K HA -0.001 4.319 4.320 -0.000 0.000 0.201 945 K C 1.118 177.671 176.600 -0.078 0.000 1.048 945 K CA 1.272 57.514 56.287 -0.075 0.000 0.956 945 K CB 0.033 32.506 32.500 -0.045 0.000 0.746 945 K HN 0.083 nan 8.250 nan 0.000 0.461 946 N N 0.722 119.365 118.700 -0.094 0.000 2.314 946 N HA 0.071 4.811 4.740 -0.000 0.000 0.200 946 N C -0.615 174.914 175.510 0.032 0.000 1.135 946 N CA -0.077 52.932 53.050 -0.067 0.000 0.835 946 N CB 0.155 38.541 38.487 -0.169 0.000 0.989 946 N HN 0.113 nan 8.380 nan 0.000 0.478 947 L N 1.105 122.328 121.223 0.000 0.000 2.439 947 L HA 0.140 4.480 4.340 -0.000 0.000 0.269 947 L C 0.145 176.980 176.870 -0.058 0.000 1.179 947 L CA -0.176 54.656 54.840 -0.013 0.000 0.828 947 L CB 0.068 42.082 42.059 -0.076 0.000 1.106 947 L HN 0.071 nan 8.230 nan 0.000 0.467 948 Y N 2.619 122.851 120.300 -0.113 0.000 2.426 948 Y HA 0.248 4.798 4.550 -0.000 0.000 0.344 948 Y C 0.572 176.197 175.900 -0.459 0.000 1.256 948 Y CA 0.023 57.910 58.100 -0.355 0.000 1.451 948 Y CB 0.446 38.525 38.460 -0.636 0.000 1.342 948 Y HN 0.511 nan 8.280 nan 0.000 0.600 949 K N 0.153 120.376 120.400 -0.295 0.000 2.350 949 K HA 0.497 4.817 4.320 -0.000 0.000 0.241 949 K C -1.014 175.347 176.600 -0.398 0.000 0.994 949 K CA -1.253 54.888 56.287 -0.244 0.000 0.839 949 K CB 1.485 33.931 32.500 -0.089 0.000 1.244 949 K HN 0.411 nan 8.250 nan 0.000 0.443 950 E N 0.315 120.417 120.200 -0.164 0.000 2.652 950 E HA 0.079 4.429 4.350 -0.000 0.000 0.255 950 E C 0.795 177.301 176.600 -0.156 0.000 0.952 950 E CA 2.241 58.571 56.400 -0.117 0.000 0.947 950 E CB -0.256 29.453 29.700 0.014 0.000 0.912 950 E HN 0.821 nan 8.360 nan 0.000 0.489 951 G N 3.752 112.441 108.800 -0.186 0.000 2.195 951 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 951 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 951 G C -0.042 174.745 174.900 -0.187 0.000 0.984 951 G CA 0.048 45.057 45.100 -0.151 0.000 0.633 951 G HN 0.626 nan 8.290 nan 0.000 0.525 952 D N 0.317 120.558 120.400 -0.266 0.000 2.360 952 D HA 0.535 5.175 4.640 -0.000 0.000 0.242 952 D C 1.099 177.214 176.300 -0.309 0.000 1.184 952 D CA 0.069 53.933 54.000 -0.226 0.000 0.930 952 D CB 0.741 41.456 40.800 -0.142 0.000 1.161 952 D HN 0.292 nan 8.370 nan 0.000 0.447 953 L N 0.673 121.763 121.223 -0.222 0.000 2.334 953 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 953 L C 1.204 177.888 176.870 -0.310 0.000 1.036 953 L CA -0.746 53.928 54.840 -0.278 0.000 0.807 953 L CB 1.583 43.540 42.059 -0.171 0.000 1.231 953 L HN 0.457 nan 8.230 nan 0.000 0.438 954 T N -3.344 110.882 114.554 -0.546 0.000 2.771 954 T HA 0.089 4.439 4.350 -0.000 0.000 0.290 954 T C 1.344 175.894 174.700 -0.249 0.000 1.005 954 T CA -0.366 61.435 62.100 -0.498 0.000 0.944 954 T CB 0.478 68.612 68.868 -1.222 0.000 1.147 954 T HN 0.720 nan 8.240 nan 0.000 0.534 955 H N 0.158 119.166 119.070 -0.104 0.000 2.491 955 H HA -0.002 4.554 4.556 -0.000 0.000 0.290 955 H C 1.191 176.585 175.328 0.110 0.000 1.050 955 H CA 0.889 56.975 56.048 0.064 0.000 1.309 955 H CB -0.872 29.004 29.762 0.189 0.000 1.392 955 H HN 0.722 nan 8.280 nan 0.000 0.554 956 F N 0.540 120.282 119.950 -0.346 0.000 2.660 956 F HA 0.387 4.914 4.527 -0.000 0.000 0.297 956 F C 0.130 175.908 175.800 -0.037 0.000 1.132 956 F CA -1.096 56.795 58.000 -0.181 0.000 1.372 956 F CB -0.414 38.339 39.000 -0.411 0.000 1.003 956 F HN -0.137 nan 8.300 nan 0.000 0.524 957 N N 0.942 119.500 118.700 -0.238 0.000 2.708 957 N HA -0.277 4.463 4.740 -0.000 0.000 0.251 957 N C 0.104 175.495 175.510 -0.199 0.000 1.123 957 N CA 1.224 54.172 53.050 -0.170 0.000 0.739 957 N CB -1.075 37.396 38.487 -0.026 0.000 1.113 957 N HN 0.794 nan 8.380 nan 0.000 0.561 958 Q N 0.875 120.441 119.800 -0.390 0.000 2.227 958 Q HA 0.340 4.680 4.340 -0.000 0.000 0.245 958 Q C -0.117 175.742 176.000 -0.235 0.000 0.926 958 Q CA -0.507 55.180 55.803 -0.193 0.000 0.895 958 Q CB 1.071 29.804 28.738 -0.007 0.000 1.230 958 Q HN 0.159 nan 8.270 nan 0.000 0.450 959 K N 3.480 123.815 120.400 -0.109 0.000 2.201 959 K HA 0.268 4.588 4.320 -0.000 0.000 0.278 959 K C -0.973 175.547 176.600 -0.134 0.000 1.027 959 K CA -0.397 55.806 56.287 -0.141 0.000 0.909 959 K CB 0.537 32.993 32.500 -0.073 0.000 1.062 959 K HN 0.665 nan 8.250 nan 0.000 0.465 960 L N 5.072 126.125 121.223 -0.282 0.000 2.328 960 L HA 0.213 4.553 4.340 -0.000 0.000 0.280 960 L C -0.045 176.773 176.870 -0.086 0.000 1.111 960 L CA -0.066 54.606 54.840 -0.279 0.000 0.909 960 L CB 0.328 42.024 42.059 -0.606 0.000 1.277 960 L HN 0.583 nan 8.230 nan 0.000 0.433 961 E N 1.602 121.833 120.200 0.051 0.000 2.214 961 E HA 0.430 4.780 4.350 -0.000 0.000 0.274 961 E C 0.667 177.360 176.600 0.154 0.000 0.977 961 E CA -0.275 56.169 56.400 0.074 0.000 0.827 961 E CB 1.723 31.457 29.700 0.058 0.000 1.130 961 E HN 0.648 nan 8.360 nan 0.000 0.394 962 G N 2.630 111.501 108.800 0.118 0.000 2.246 962 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.273 962 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.273 962 G C -0.285 174.703 174.900 0.147 0.000 1.055 962 G CA -0.176 44.998 45.100 0.123 0.000 0.851 962 G HN 0.457 nan 8.290 nan 0.000 0.500 963 F N 2.743 122.624 119.950 -0.116 0.000 2.556 963 F HA 0.406 4.933 4.527 -0.000 0.000 0.344 963 F C 1.833 177.400 175.800 -0.389 0.000 1.255 963 F CA 0.408 58.181 58.000 -0.379 0.000 1.091 963 F CB 0.211 39.024 39.000 -0.312 0.000 1.325 963 F HN 0.207 nan 8.300 nan 0.000 0.627 964 T N 2.969 117.078 114.554 -0.742 0.000 3.107 964 T HA -0.014 4.336 4.350 -0.000 0.000 0.249 964 T C 2.046 176.386 174.700 -0.601 0.000 1.096 964 T CA 0.022 61.845 62.100 -0.462 0.000 1.012 964 T CB -0.088 68.704 68.868 -0.126 0.000 0.977 964 T HN 0.549 nan 8.240 nan 0.000 0.527 965 L N 1.771 122.252 121.223 -1.236 0.000 2.079 965 L HA 0.041 4.381 4.340 -0.000 0.000 0.210 965 L C -0.895 175.738 176.870 -0.395 0.000 1.081 965 L CA 1.943 56.301 54.840 -0.803 0.000 0.752 965 L CB -1.352 40.014 42.059 -1.155 0.000 0.896 965 L HN 0.202 nan 8.230 nan 0.000 0.433 966 P HA -0.128 nan 4.420 nan 0.000 0.217 966 P C 1.534 178.838 177.300 0.006 0.000 1.150 966 P CA 1.413 64.449 63.100 -0.107 0.000 0.832 966 P CB -0.057 31.604 31.700 -0.064 0.000 0.787 967 R N -1.063 119.403 120.500 -0.057 0.000 2.066 967 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 967 R C 2.308 178.623 176.300 0.025 0.000 1.131 967 R CA 1.589 57.684 56.100 -0.007 0.000 0.955 967 R CB -1.341 28.939 30.300 -0.032 0.000 0.851 967 R HN 0.229 nan 8.270 nan 0.000 0.432 968 C N -0.170 119.138 119.300 0.012 0.000 2.413 968 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 968 C C 2.385 177.429 174.990 0.090 0.000 1.248 968 C CA 0.183 59.229 59.018 0.046 0.000 1.742 968 C CB -1.106 26.670 27.740 0.059 0.000 2.017 968 C HN 0.658 nan 8.230 nan 0.000 0.481 969 W N 1.569 122.830 121.300 -0.063 0.000 2.353 969 W HA -0.146 4.514 4.660 -0.000 0.000 0.319 969 W C 2.306 178.803 176.519 -0.036 0.000 1.207 969 W CA 1.943 59.258 57.345 -0.050 0.000 1.291 969 W CB -0.583 28.847 29.460 -0.050 0.000 1.159 969 W HN 0.282 nan 8.180 nan 0.000 0.478 970 E N 0.464 120.776 120.200 0.186 0.000 2.077 970 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 970 E C 2.050 178.649 176.600 -0.002 0.000 0.989 970 E CA 1.750 58.202 56.400 0.086 0.000 0.800 970 E CB -0.577 29.195 29.700 0.119 0.000 0.746 970 E HN 0.326 nan 8.360 nan 0.000 0.452 971 E N -0.842 119.360 120.200 0.002 0.000 2.110 971 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 971 E C 2.022 178.593 176.600 -0.048 0.000 0.988 971 E CA 1.082 57.473 56.400 -0.015 0.000 0.804 971 E CB -0.130 29.567 29.700 -0.005 0.000 0.745 971 E HN 0.343 nan 8.360 nan 0.000 0.458 972 C N 0.180 119.424 119.300 -0.093 0.000 2.450 972 C HA 0.017 4.477 4.460 -0.000 0.000 0.279 972 C C 2.496 177.384 174.990 -0.171 0.000 1.335 972 C CA 0.212 59.150 59.018 -0.134 0.000 1.749 972 C CB -0.962 26.670 27.740 -0.180 0.000 1.963 972 C HN 0.394 nan 8.230 nan 0.000 0.501 973 L N 1.070 122.149 121.223 -0.240 0.000 2.046 973 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 973 L C 2.976 179.833 176.870 -0.022 0.000 1.077 973 L CA 1.691 56.419 54.840 -0.187 0.000 0.747 973 L CB -0.641 41.300 42.059 -0.197 0.000 0.896 973 L HN 0.438 nan 8.230 nan 0.000 0.432 974 A N -1.092 121.720 122.820 -0.013 0.000 1.872 974 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 974 A C 2.517 180.106 177.584 0.009 0.000 1.187 974 A CA 1.773 53.821 52.037 0.018 0.000 0.614 974 A CB -0.742 18.266 19.000 0.013 0.000 0.826 974 A HN 0.352 nan 8.150 nan 0.000 0.442 975 S N 0.484 116.177 115.700 -0.011 0.000 2.359 975 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 975 S C 2.165 176.765 174.600 0.000 0.000 1.039 975 S CA 2.509 60.703 58.200 -0.009 0.000 1.042 975 S CB -0.501 62.686 63.200 -0.021 0.000 0.915 975 S HN 0.873 nan 8.310 nan 0.000 0.439 976 S N -0.052 115.647 115.700 -0.001 0.000 2.558 976 S HA 0.181 4.651 4.470 -0.000 0.000 0.217 976 S C 0.512 175.132 174.600 0.034 0.000 0.975 976 S CA 0.465 58.675 58.200 0.016 0.000 0.912 976 S CB -0.512 62.700 63.200 0.019 0.000 0.776 976 S HN 0.655 nan 8.310 nan 0.000 0.526 977 Q N -0.504 119.324 119.800 0.046 0.000 2.453 977 Q HA -0.289 4.051 4.340 -0.000 0.000 0.294 977 Q C 0.282 176.325 176.000 0.070 0.000 1.295 977 Q CA 0.653 56.495 55.803 0.064 0.000 0.853 977 Q CB -2.461 26.300 28.738 0.038 0.000 1.193 977 Q HN 0.750 nan 8.270 nan 0.000 0.461 978 Y N 0.187 120.440 120.300 -0.078 0.000 2.029 978 Y HA -0.392 4.158 4.550 -0.000 0.000 0.269 978 Y C 1.996 177.797 175.900 -0.166 0.000 1.201 978 Y CA 2.859 60.857 58.100 -0.170 0.000 1.115 978 Y CB -0.300 37.971 38.460 -0.316 0.000 0.945 978 Y HN 0.500 nan 8.280 nan 0.000 0.497 979 H N -0.836 118.260 119.070 0.043 0.000 2.319 979 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 979 H C 2.343 177.619 175.328 -0.086 0.000 1.092 979 H CA 1.552 57.570 56.048 -0.050 0.000 1.302 979 H CB -0.668 29.136 29.762 0.070 0.000 1.373 979 H HN 0.471 nan 8.280 nan 0.000 0.497 980 A N 1.131 124.000 122.820 0.081 0.000 1.978 980 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 980 A C 2.110 179.680 177.584 -0.023 0.000 1.170 980 A CA 1.570 53.626 52.037 0.031 0.000 0.636 980 A CB -0.231 18.791 19.000 0.037 0.000 0.810 980 A HN 0.357 nan 8.150 nan 0.000 0.448 981 R N -0.787 119.670 120.500 -0.072 0.000 2.240 981 R HA 0.030 4.370 4.340 -0.000 0.000 0.203 981 R C 1.972 178.183 176.300 -0.149 0.000 1.011 981 R CA 0.962 57.005 56.100 -0.095 0.000 1.007 981 R CB -0.190 30.055 30.300 -0.092 0.000 0.911 981 R HN 0.589 nan 8.270 nan 0.000 0.468 982 K N 0.923 121.183 120.400 -0.233 0.000 2.211 982 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 982 K C 1.656 178.192 176.600 -0.107 0.000 1.050 982 K CA 1.270 57.404 56.287 -0.255 0.000 0.945 982 K CB 0.183 32.468 32.500 -0.359 0.000 0.732 982 K HN -0.053 nan 8.250 nan 0.000 0.451 983 S N 0.699 116.363 115.700 -0.059 0.000 2.395 983 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 983 S C 1.626 176.228 174.600 0.003 0.000 1.027 983 S CA 0.751 58.943 58.200 -0.014 0.000 0.965 983 S CB -0.104 63.097 63.200 0.002 0.000 0.812 983 S HN 0.412 nan 8.310 nan 0.000 0.482 984 E N 1.456 121.653 120.200 -0.005 0.000 2.110 984 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 984 E C 1.888 178.514 176.600 0.045 0.000 0.988 984 E CA 1.124 57.536 56.400 0.021 0.000 0.804 984 E CB -0.065 29.636 29.700 0.001 0.000 0.745 984 E HN 0.314 nan 8.360 nan 0.000 0.458 985 V N 1.945 121.861 119.914 0.002 0.000 2.323 985 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 985 V C 2.043 178.186 176.094 0.080 0.000 1.041 985 V CA 2.033 64.344 62.300 0.018 0.000 1.025 985 V CB -0.477 31.320 31.823 -0.042 0.000 0.656 985 V HN 0.216 nan 8.190 nan 0.000 0.451 986 D N -0.075 120.351 120.400 0.043 0.000 2.144 986 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 986 D C 2.148 178.490 176.300 0.070 0.000 0.984 986 D CA 1.279 55.308 54.000 0.049 0.000 0.834 986 D CB -0.114 40.700 40.800 0.023 0.000 0.955 986 D HN 0.390 nan 8.370 nan 0.000 0.465 987 K N -0.100 120.345 120.400 0.075 0.000 2.057 987 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 987 K C 2.088 178.750 176.600 0.104 0.000 1.049 987 K CA 0.718 57.049 56.287 0.073 0.000 0.931 987 K CB -0.199 32.341 32.500 0.067 0.000 0.714 987 K HN 0.044 nan 8.250 nan 0.000 0.440 988 F N 1.880 121.832 119.950 0.002 0.000 2.234 988 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 988 F C 1.514 177.320 175.800 0.010 0.000 1.087 988 F CA 1.249 59.255 58.000 0.010 0.000 1.340 988 F CB -0.138 38.868 39.000 0.011 0.000 1.031 988 F HN 0.086 nan 8.300 nan 0.000 0.500 989 N N 0.677 119.511 118.700 0.223 0.000 2.396 989 N HA -0.093 4.647 4.740 -0.000 0.000 0.180 989 N C 1.547 177.041 175.510 -0.027 0.000 1.028 989 N CA 0.984 54.095 53.050 0.101 0.000 0.893 989 N CB -0.245 38.312 38.487 0.117 0.000 0.967 989 N HN 0.406 nan 8.380 nan 0.000 0.440 990 K N 0.685 121.072 120.400 -0.021 0.000 2.186 990 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 990 K C 1.264 177.826 176.600 -0.063 0.000 1.052 990 K CA 0.693 56.961 56.287 -0.032 0.000 0.965 990 K CB 0.168 32.663 32.500 -0.009 0.000 0.746 990 K HN 0.310 nan 8.250 nan 0.000 0.457 991 E N 0.452 120.583 120.200 -0.115 0.000 2.385 991 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 991 E C -0.006 176.476 176.600 -0.198 0.000 1.013 991 E CA 0.291 56.607 56.400 -0.139 0.000 0.866 991 E CB 0.214 29.824 29.700 -0.150 0.000 0.832 991 E HN 0.244 nan 8.360 nan 0.000 0.500 992 N N 0.256 118.774 118.700 -0.303 0.000 2.354 992 N HA 0.091 4.831 4.740 -0.000 0.000 0.287 992 N C -0.369 175.042 175.510 -0.164 0.000 1.016 992 N CA -0.204 52.679 53.050 -0.278 0.000 0.871 992 N CB 2.125 40.257 38.487 -0.592 0.000 1.299 992 N HN -0.012 nan 8.380 nan 0.000 0.482 993 C N 1.819 121.030 119.300 -0.148 0.000 2.518 993 C HA 0.196 4.656 4.460 -0.000 0.000 0.283 993 C C 1.071 175.730 174.990 -0.553 0.000 1.351 993 C CA -0.119 58.679 59.018 -0.366 0.000 1.745 993 C CB -0.718 26.719 27.740 -0.505 0.000 2.107 993 C HN 0.875 nan 8.230 nan 0.000 0.502 994 W N 1.765 123.093 121.300 0.048 0.000 3.223 994 W HA 0.440 5.100 4.660 -0.000 0.000 0.389 994 W C 0.501 177.099 176.519 0.133 0.000 1.118 994 W CA -0.292 57.105 57.345 0.086 0.000 1.902 994 W CB 0.078 29.538 29.460 0.001 0.000 1.094 994 W HN 0.100 nan 8.180 nan 0.000 0.666 995 K N 1.161 121.702 120.400 0.236 0.000 2.535 995 K HA 0.337 4.657 4.320 -0.000 0.000 0.251 995 K C -0.393 176.412 176.600 0.341 0.000 0.942 995 K CA -0.800 55.667 56.287 0.301 0.000 0.798 995 K CB 2.239 34.956 32.500 0.362 0.000 1.267 995 K HN -0.386 nan 8.250 nan 0.000 0.434 996 K N 2.242 122.837 120.400 0.325 0.000 2.443 996 K HA 0.546 4.866 4.320 -0.000 0.000 0.251 996 K C -0.661 176.050 176.600 0.185 0.000 0.972 996 K CA -0.872 55.590 56.287 0.292 0.000 0.833 996 K CB 2.377 34.944 32.500 0.112 0.000 1.317 996 K HN 0.537 nan 8.250 nan 0.000 0.441 997 R N -0.465 120.102 120.500 0.113 0.000 2.803 997 R HA 0.704 5.044 4.340 -0.000 0.000 0.276 997 R C -0.293 176.003 176.300 -0.006 0.000 0.978 997 R CA -1.053 55.021 56.100 -0.043 0.000 0.939 997 R CB 2.163 32.319 30.300 -0.240 0.000 1.179 997 R HN 0.757 nan 8.270 nan 0.000 0.472 998 G N 1.192 109.980 108.800 -0.020 0.000 2.638 998 G HA2 0.546 4.506 3.960 -0.000 0.000 0.302 998 G HA3 0.546 4.506 3.960 -0.000 0.000 0.302 998 G C -2.030 172.870 174.900 0.000 0.000 1.365 998 G CA -0.417 44.683 45.100 0.001 0.000 0.987 998 G HN 0.302 nan 8.290 nan 0.000 0.495 999 L N 1.758 122.985 121.223 0.006 0.000 2.356 999 L HA 0.838 5.178 4.340 -0.000 0.000 0.277 999 L C -0.839 176.102 176.870 0.119 0.000 0.996 999 L CA -0.852 54.000 54.840 0.019 0.000 0.822 999 L CB 1.528 43.527 42.059 -0.100 0.000 1.256 999 L HN 0.662 nan 8.230 nan 0.000 0.413 1000 C N 6.054 125.456 119.300 0.170 0.000 2.686 1000 C HA 0.635 5.095 4.460 -0.000 0.000 0.318 1000 C C -0.856 174.220 174.990 0.143 0.000 1.160 1000 C CA -0.904 58.233 59.018 0.199 0.000 1.396 1000 C CB 0.905 28.755 27.740 0.183 0.000 1.924 1000 C HN 0.895 nan 8.230 nan 0.000 0.471 1001 I N 7.110 127.701 120.570 0.036 0.000 2.389 1001 I HA 0.652 4.822 4.170 -0.000 0.000 0.288 1001 I C -1.271 174.845 176.117 -0.002 0.000 0.999 1001 I CA -0.479 60.727 61.300 -0.156 0.000 1.129 1001 I CB 0.757 38.352 38.000 -0.674 0.000 1.288 1001 I HN 0.515 nan 8.210 nan 0.000 0.444 1002 I N 9.423 130.037 120.570 0.073 0.000 2.545 1002 I HA 0.547 4.717 4.170 -0.000 0.000 0.292 1002 I C -2.525 173.760 176.117 0.281 0.000 1.040 1002 I CA -2.090 59.327 61.300 0.196 0.000 1.068 1002 I CB 1.928 39.974 38.000 0.076 0.000 1.251 1002 I HN 0.391 nan 8.210 nan 0.000 0.424 1003 P HA 0.502 nan 4.420 nan 0.000 0.286 1003 P C -0.760 176.724 177.300 0.307 0.000 1.292 1003 P CA -0.410 62.900 63.100 0.349 0.000 0.842 1003 P CB 2.932 34.814 31.700 0.303 0.000 1.207 1004 T N -1.158 113.577 114.554 0.302 0.000 2.840 1004 T HA 0.477 4.827 4.350 -0.000 0.000 0.317 1004 T C -1.882 173.010 174.700 0.320 0.000 1.401 1004 T CA -0.669 61.637 62.100 0.344 0.000 1.028 1004 T CB 1.225 70.374 68.868 0.467 0.000 1.317 1004 T HN 0.572 nan 8.240 nan 0.000 0.495 1005 K N 2.903 123.482 120.400 0.299 0.000 2.535 1005 K HA 0.627 4.947 4.320 -0.000 0.000 0.250 1005 K C -2.119 174.672 176.600 0.319 0.000 0.948 1005 K CA -0.720 55.728 56.287 0.267 0.000 0.796 1005 K CB 1.382 34.075 32.500 0.321 0.000 1.216 1005 K HN 0.491 nan 8.250 nan 0.000 0.432 1006 F N 2.393 122.371 119.950 0.046 0.000 2.507 1006 F HA 0.484 5.011 4.527 -0.000 0.000 0.328 1006 F C 0.167 175.830 175.800 -0.228 0.000 1.136 1006 F CA -0.393 57.603 58.000 -0.006 0.000 0.930 1006 F CB 1.871 40.796 39.000 -0.125 0.000 1.166 1006 F HN 0.677 nan 8.300 nan 0.000 0.436 1007 G N 6.633 114.987 108.800 -0.744 0.000 2.364 1007 G HA2 0.416 4.376 3.960 -0.000 0.000 0.267 1007 G HA3 0.416 4.376 3.960 -0.000 0.000 0.267 1007 G C -0.693 173.500 174.900 -1.179 0.000 1.233 1007 G CA -0.414 43.547 45.100 -1.898 0.000 0.885 1007 G HN 0.448 nan 8.290 nan 0.000 0.490 1008 I N 1.395 121.464 120.570 -0.835 0.000 2.336 1008 I HA 0.567 4.737 4.170 -0.000 0.000 0.292 1008 I C 0.477 176.399 176.117 -0.324 0.000 0.991 1008 I CA -0.231 60.745 61.300 -0.540 0.000 1.227 1008 I CB 0.321 37.781 38.000 -0.899 0.000 1.366 1008 I HN 0.526 nan 8.210 nan 0.000 0.466 1009 S N 4.246 119.821 115.700 -0.208 0.000 2.769 1009 S HA 0.065 4.535 4.470 -0.000 0.000 0.269 1009 S C -0.750 173.780 174.600 -0.117 0.000 0.604 1009 S CA -0.916 57.203 58.200 -0.135 0.000 1.254 1009 S CB -0.187 62.986 63.200 -0.045 0.000 1.487 1009 S HN 0.302 nan 8.310 nan 0.000 0.535 1010 F N 2.439 122.318 119.950 -0.118 0.000 2.529 1010 F HA 0.179 4.706 4.527 -0.000 0.000 0.365 1010 F C 2.308 178.024 175.800 -0.141 0.000 1.102 1010 F CA 0.826 58.729 58.000 -0.162 0.000 1.271 1010 F CB 0.737 39.606 39.000 -0.219 0.000 1.120 1010 F HN 0.808 nan 8.300 nan 0.000 0.579 1011 T N -1.039 113.573 114.554 0.097 0.000 2.881 1011 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 1011 T C 0.627 175.353 174.700 0.043 0.000 1.068 1011 T CA 0.535 62.675 62.100 0.066 0.000 1.131 1011 T CB -0.527 68.475 68.868 0.224 0.000 0.871 1011 T HN 0.185 nan 8.240 nan 0.000 0.479 1012 V N 4.120 124.031 119.914 -0.005 0.000 2.356 1012 V HA 0.200 4.320 4.120 -0.000 0.000 0.258 1012 V C -1.252 174.699 176.094 -0.239 0.000 1.065 1012 V CA -1.597 60.598 62.300 -0.176 0.000 0.935 1012 V CB 0.854 32.428 31.823 -0.415 0.000 1.061 1012 V HN 0.210 nan 8.190 nan 0.000 0.484 1013 P HA -0.226 nan 4.420 nan 0.000 0.215 1013 P C 1.564 178.820 177.300 -0.074 0.000 1.163 1013 P CA 1.609 64.675 63.100 -0.056 0.000 0.894 1013 P CB -0.051 31.664 31.700 0.024 0.000 0.791 1014 F N -1.750 118.167 119.950 -0.056 0.000 2.664 1014 F HA 0.004 4.531 4.527 -0.000 0.000 0.297 1014 F C 1.407 177.125 175.800 -0.138 0.000 1.164 1014 F CA 0.745 58.700 58.000 -0.075 0.000 1.472 1014 F CB -1.502 37.465 39.000 -0.055 0.000 1.108 1014 F HN -0.144 nan 8.300 nan 0.000 0.596 1015 L N 0.448 121.323 121.223 -0.579 0.000 2.509 1015 L HA 0.058 4.398 4.340 -0.000 0.000 0.222 1015 L C 0.714 177.328 176.870 -0.428 0.000 1.123 1015 L CA 0.167 54.581 54.840 -0.710 0.000 0.856 1015 L CB -0.572 40.656 42.059 -1.385 0.000 0.985 1015 L HN 0.128 nan 8.230 nan 0.000 0.456 1016 N N 2.725 121.333 118.700 -0.152 0.000 3.178 1016 N HA 0.058 4.798 4.740 -0.000 0.000 0.300 1016 N C -0.445 174.999 175.510 -0.110 0.000 1.242 1016 N CA 0.189 53.234 53.050 -0.007 0.000 1.192 1016 N CB 0.278 38.763 38.487 -0.003 0.000 1.463 1016 N HN 0.518 nan 8.380 nan 0.000 0.539 1017 Q N -0.901 118.828 119.800 -0.118 0.000 2.482 1017 Q HA 0.823 5.163 4.340 -0.000 0.000 0.286 1017 Q C -1.919 173.964 176.000 -0.195 0.000 1.007 1017 Q CA -1.239 54.416 55.803 -0.246 0.000 0.801 1017 Q CB 1.947 30.626 28.738 -0.099 0.000 1.455 1017 Q HN 0.087 nan 8.270 nan 0.000 0.398 1018 A N 0.365 122.967 122.820 -0.363 0.000 2.612 1018 A HA 0.949 5.269 4.320 -0.000 0.000 0.293 1018 A C -1.020 176.482 177.584 -0.138 0.000 1.075 1018 A CA -0.193 51.757 52.037 -0.146 0.000 0.680 1018 A CB 1.894 20.869 19.000 -0.042 0.000 1.279 1018 A HN 1.034 nan 8.150 nan 0.000 0.411 1019 G N -0.851 107.987 108.800 0.064 0.000 2.574 1019 G HA2 0.892 4.852 3.960 -0.000 0.000 0.299 1019 G HA3 0.892 4.852 3.960 -0.000 0.000 0.299 1019 G C -0.680 174.302 174.900 0.136 0.000 1.298 1019 G CA 0.051 45.246 45.100 0.160 0.000 0.952 1019 G HN 1.972 nan 8.290 nan 0.000 0.477 1020 A N -0.114 122.782 122.820 0.127 0.000 2.556 1020 A HA 0.812 5.132 4.320 -0.000 0.000 0.294 1020 A C -1.917 175.694 177.584 0.045 0.000 1.091 1020 A CA -0.620 51.478 52.037 0.103 0.000 0.704 1020 A CB 2.164 21.226 19.000 0.103 0.000 1.300 1020 A HN 1.488 nan 8.150 nan 0.000 0.406 1021 L N 1.792 123.002 121.223 -0.022 0.000 2.406 1021 L HA 0.698 5.038 4.340 -0.000 0.000 0.272 1021 L C -1.705 175.011 176.870 -0.256 0.000 0.980 1021 L CA -0.530 54.234 54.840 -0.126 0.000 0.831 1021 L CB 1.684 43.659 42.059 -0.140 0.000 1.253 1021 L HN 0.683 nan 8.230 nan 0.000 0.406 1022 L N 5.597 126.663 121.223 -0.262 0.000 2.349 1022 L HA 0.584 4.924 4.340 -0.000 0.000 0.278 1022 L C -1.416 175.302 176.870 -0.253 0.000 0.996 1022 L CA -0.232 54.472 54.840 -0.227 0.000 0.825 1022 L CB 1.287 43.312 42.059 -0.058 0.000 1.243 1022 L HN 0.678 nan 8.230 nan 0.000 0.412 1023 H N 4.274 123.301 119.070 -0.072 0.000 2.538 1023 H HA 0.549 5.105 4.556 -0.000 0.000 0.353 1023 H C -0.751 174.405 175.328 -0.287 0.000 1.109 1023 H CA -0.649 55.267 56.048 -0.220 0.000 1.192 1023 H CB 2.509 32.048 29.762 -0.371 0.000 1.555 1023 H HN 0.303 nan 8.280 nan 0.000 0.518 1024 V N 4.461 124.285 119.914 -0.150 0.000 2.378 1024 V HA 0.176 4.296 4.120 -0.000 0.000 0.288 1024 V C -0.483 175.459 176.094 -0.254 0.000 1.016 1024 V CA -0.805 61.439 62.300 -0.093 0.000 0.840 1024 V CB 0.375 32.228 31.823 0.051 0.000 0.994 1024 V HN 0.546 nan 8.190 nan 0.000 0.431 1025 Y N 2.026 122.365 120.300 0.066 0.000 2.298 1025 Y HA 0.223 4.773 4.550 -0.000 0.000 0.329 1025 Y C 2.103 177.953 175.900 -0.084 0.000 1.293 1025 Y CA 0.014 58.099 58.100 -0.026 0.000 1.388 1025 Y CB 0.798 39.246 38.460 -0.020 0.000 1.309 1025 Y HN 0.763 nan 8.280 nan 0.000 0.544 1026 T N -3.212 111.335 114.554 -0.012 0.000 3.077 1026 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 1026 T C 0.748 175.409 174.700 -0.064 0.000 1.146 1026 T CA 1.233 63.244 62.100 -0.149 0.000 1.091 1026 T CB -0.339 68.299 68.868 -0.383 0.000 0.892 1026 T HN 0.748 nan 8.240 nan 0.000 0.533 1027 D N 0.152 120.563 120.400 0.018 0.000 2.349 1027 D HA 0.214 4.854 4.640 -0.000 0.000 0.214 1027 D C 1.688 178.038 176.300 0.083 0.000 1.063 1027 D CA 0.569 54.586 54.000 0.027 0.000 0.847 1027 D CB -0.419 40.394 40.800 0.022 0.000 0.933 1027 D HN 0.543 nan 8.370 nan 0.000 0.513 1028 G N 0.885 109.753 108.800 0.113 0.000 2.268 1028 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.240 1028 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.240 1028 G C 0.473 175.614 174.900 0.403 0.000 1.010 1028 G CA 0.419 45.667 45.100 0.247 0.000 0.618 1028 G HN 0.831 nan 8.290 nan 0.000 0.516 1029 S N -0.082 115.786 115.700 0.280 0.000 2.572 1029 S HA 0.588 5.058 4.470 -0.000 0.000 0.279 1029 S C 0.147 174.936 174.600 0.315 0.000 1.341 1029 S CA 0.130 58.489 58.200 0.266 0.000 1.043 1029 S CB 2.147 65.466 63.200 0.198 0.000 0.887 1029 S HN 1.175 nan 8.310 nan 0.000 0.516 1030 V N 3.309 123.376 119.914 0.254 0.000 2.513 1030 V HA 0.548 4.668 4.120 -0.000 0.000 0.299 1030 V C -0.470 175.753 176.094 0.215 0.000 1.035 1030 V CA -0.877 61.547 62.300 0.207 0.000 0.889 1030 V CB 1.333 33.253 31.823 0.162 0.000 0.988 1030 V HN 0.885 nan 8.190 nan 0.000 0.440 1031 L N 6.214 127.554 121.223 0.196 0.000 2.316 1031 L HA 0.712 5.052 4.340 -0.000 0.000 0.280 1031 L C -0.981 175.932 176.870 0.072 0.000 1.006 1031 L CA -0.216 54.758 54.840 0.222 0.000 0.836 1031 L CB 1.225 43.519 42.059 0.392 0.000 1.221 1031 L HN 0.637 nan 8.230 nan 0.000 0.418 1032 L N 4.944 126.188 121.223 0.036 0.000 2.334 1032 L HA 0.926 5.266 4.340 -0.000 0.000 0.276 1032 L C -0.624 176.210 176.870 -0.061 0.000 1.014 1032 L CA 0.387 55.213 54.840 -0.023 0.000 0.815 1032 L CB 2.194 44.262 42.059 0.015 0.000 1.268 1032 L HN 0.775 nan 8.230 nan 0.000 0.428 1033 T N 2.051 116.564 114.554 -0.068 0.000 2.900 1033 T HA 0.763 5.113 4.350 -0.000 0.000 0.303 1033 T C -1.305 173.373 174.700 -0.037 0.000 1.142 1033 T CA -0.595 61.426 62.100 -0.132 0.000 1.007 1033 T CB 1.552 70.349 68.868 -0.119 0.000 1.156 1033 T HN 0.927 nan 8.240 nan 0.000 0.490 1034 H N -2.017 117.060 119.070 0.012 0.000 2.960 1034 H HA 0.688 5.244 4.556 -0.000 0.000 0.323 1034 H C 1.101 176.454 175.328 0.041 0.000 1.326 1034 H CA -0.747 55.318 56.048 0.028 0.000 1.124 1034 H CB 0.572 30.354 29.762 0.033 0.000 1.853 1034 H HN 0.700 nan 8.280 nan 0.000 0.536 1035 G N -0.278 108.633 108.800 0.185 0.000 2.509 1035 G HA2 0.115 4.075 3.960 -0.000 0.000 0.218 1035 G HA3 0.115 4.075 3.960 -0.000 0.000 0.218 1035 G C 0.732 175.714 174.900 0.137 0.000 1.124 1035 G CA 0.229 45.394 45.100 0.109 0.000 0.776 1035 G HN 0.878 nan 8.290 nan 0.000 0.547 1036 G N 0.239 109.265 108.800 0.376 0.000 2.442 1036 G HA2 0.432 4.392 3.960 -0.000 0.000 0.249 1036 G HA3 0.432 4.392 3.960 -0.000 0.000 0.249 1036 G C 0.173 175.130 174.900 0.095 0.000 1.263 1036 G CA 0.405 45.656 45.100 0.251 0.000 0.846 1036 G HN 0.367 nan 8.290 nan 0.000 0.555 1037 T N -0.790 113.756 114.554 -0.014 0.000 2.859 1037 T HA 0.524 4.874 4.350 -0.000 0.000 0.281 1037 T C -0.277 174.307 174.700 -0.194 0.000 1.005 1037 T CA -0.831 61.221 62.100 -0.080 0.000 1.025 1037 T CB 2.234 71.064 68.868 -0.062 0.000 0.977 1037 T HN 0.456 nan 8.240 nan 0.000 0.458 1038 E N 2.865 122.909 120.200 -0.260 0.000 2.194 1038 E HA 0.370 4.720 4.350 -0.000 0.000 0.284 1038 E C 0.435 176.966 176.600 -0.115 0.000 1.035 1038 E CA -0.589 55.651 56.400 -0.267 0.000 0.836 1038 E CB 0.588 30.143 29.700 -0.240 0.000 1.070 1038 E HN 0.782 nan 8.360 nan 0.000 0.401 1039 M N 2.468 121.999 119.600 -0.115 0.000 2.504 1039 M HA 0.486 4.966 4.480 -0.000 0.000 0.370 1039 M C 0.806 177.048 176.300 -0.097 0.000 1.110 1039 M CA 0.087 55.309 55.300 -0.130 0.000 0.938 1039 M CB 0.751 33.214 32.600 -0.227 0.000 1.460 1039 M HN 0.572 nan 8.290 nan 0.000 0.535 1040 G N 1.768 110.574 108.800 0.010 0.000 2.184 1040 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.206 1040 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.206 1040 G C 0.724 175.683 174.900 0.098 0.000 0.995 1040 G CA 0.355 45.499 45.100 0.073 0.000 0.651 1040 G HN 0.630 nan 8.290 nan 0.000 0.511 1041 Q N 1.327 121.138 119.800 0.019 0.000 2.444 1041 Q HA 0.332 4.672 4.340 -0.000 0.000 0.206 1041 Q C 1.588 177.580 176.000 -0.014 0.000 0.948 1041 Q CA 1.146 56.947 55.803 -0.002 0.000 0.946 1041 Q CB -0.282 28.423 28.738 -0.055 0.000 1.027 1041 Q HN 1.862 nan 8.270 nan 0.000 0.513 1042 G N 1.875 110.666 108.800 -0.015 0.000 2.160 1042 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.251 1042 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.251 1042 G C 0.442 175.222 174.900 -0.200 0.000 1.008 1042 G CA 0.483 45.459 45.100 -0.208 0.000 0.724 1042 G HN 0.428 nan 8.290 nan 0.000 0.514 1043 L N 0.047 121.159 121.223 -0.185 0.000 2.042 1043 L HA -0.002 4.338 4.340 -0.000 0.000 0.210 1043 L C 2.536 179.342 176.870 -0.108 0.000 1.076 1043 L CA 2.888 57.625 54.840 -0.171 0.000 0.749 1043 L CB -0.451 41.487 42.059 -0.202 0.000 0.893 1043 L HN 0.408 nan 8.230 nan 0.000 0.432 1044 H N -1.050 117.981 119.070 -0.064 0.000 2.389 1044 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 1044 H C 2.171 177.435 175.328 -0.107 0.000 1.081 1044 H CA 1.730 57.760 56.048 -0.030 0.000 1.345 1044 H CB -0.777 28.942 29.762 -0.071 0.000 1.393 1044 H HN 0.359 nan 8.280 nan 0.000 0.520 1045 T N 1.157 115.663 114.554 -0.080 0.000 2.684 1045 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 1045 T C 2.040 176.705 174.700 -0.060 0.000 1.036 1045 T CA 1.474 63.508 62.100 -0.110 0.000 1.148 1045 T CB 0.049 68.796 68.868 -0.201 0.000 0.863 1045 T HN 0.373 nan 8.240 nan 0.000 0.436 1046 K N 0.399 120.758 120.400 -0.068 0.000 2.057 1046 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 1046 K C 2.405 178.990 176.600 -0.026 0.000 1.049 1046 K CA 1.066 57.324 56.287 -0.048 0.000 0.931 1046 K CB -0.167 32.294 32.500 -0.064 0.000 0.714 1046 K HN 0.218 nan 8.250 nan 0.000 0.440 1047 M N 0.578 120.159 119.600 -0.033 0.000 2.159 1047 M HA -0.130 4.349 4.480 -0.000 0.000 0.263 1047 M C 2.284 178.593 176.300 0.016 0.000 1.063 1047 M CA 1.327 56.608 55.300 -0.030 0.000 1.110 1047 M CB -0.767 31.797 32.600 -0.060 0.000 1.374 1047 M HN -0.047 nan 8.290 nan 0.000 0.411 1048 V N 0.143 120.067 119.914 0.016 0.000 2.358 1048 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 1048 V C 2.416 178.512 176.094 0.003 0.000 1.047 1048 V CA 1.483 63.786 62.300 0.006 0.000 1.035 1048 V CB -0.641 31.175 31.823 -0.012 0.000 0.658 1048 V HN 0.505 nan 8.190 nan 0.000 0.452 1049 Q N -0.609 119.190 119.800 -0.002 0.000 2.061 1049 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 1049 Q C 2.354 178.364 176.000 0.017 0.000 0.984 1049 Q CA 2.111 57.910 55.803 -0.007 0.000 0.846 1049 Q CB -0.372 28.355 28.738 -0.017 0.000 0.902 1049 Q HN 0.524 nan 8.270 nan 0.000 0.421 1050 V N 0.862 120.819 119.914 0.072 0.000 2.295 1050 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 1050 V C 2.264 178.460 176.094 0.171 0.000 1.049 1050 V CA 1.910 64.335 62.300 0.208 0.000 1.024 1050 V CB -1.025 30.930 31.823 0.220 0.000 0.648 1050 V HN 0.441 nan 8.190 nan 0.000 0.447 1051 A N -0.686 122.184 122.820 0.083 0.000 1.940 1051 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 1051 A C 2.555 180.138 177.584 -0.003 0.000 1.176 1051 A CA 2.309 54.371 52.037 0.041 0.000 0.631 1051 A CB -0.809 18.204 19.000 0.022 0.000 0.814 1051 A HN 0.517 nan 8.150 nan 0.000 0.446 1052 S N -0.234 115.455 115.700 -0.019 0.000 2.351 1052 S HA -0.276 4.194 4.470 -0.000 0.000 0.220 1052 S C 2.245 176.809 174.600 -0.061 0.000 1.035 1052 S CA 1.951 60.113 58.200 -0.064 0.000 1.031 1052 S CB -0.405 62.762 63.200 -0.056 0.000 0.928 1052 S HN 0.653 nan 8.310 nan 0.000 0.433 1053 R N 1.055 121.533 120.500 -0.038 0.000 2.096 1053 R HA -0.067 4.273 4.340 -0.000 0.000 0.240 1053 R C 2.330 178.642 176.300 0.021 0.000 1.139 1053 R CA 1.973 58.043 56.100 -0.049 0.000 0.952 1053 R CB -1.086 29.117 30.300 -0.160 0.000 0.854 1053 R HN 0.441 nan 8.270 nan 0.000 0.436 1054 A N 0.640 123.520 122.820 0.100 0.000 1.877 1054 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 1054 A C 2.227 179.806 177.584 -0.009 0.000 1.186 1054 A CA 1.578 53.661 52.037 0.076 0.000 0.620 1054 A CB -0.560 18.448 19.000 0.013 0.000 0.822 1054 A HN 0.405 nan 8.150 nan 0.000 0.443 1055 L N -1.668 119.528 121.223 -0.044 0.000 2.492 1055 L HA 0.008 4.348 4.340 -0.000 0.000 0.223 1055 L C 0.292 177.095 176.870 -0.112 0.000 1.132 1055 L CA 0.564 55.353 54.840 -0.085 0.000 0.850 1055 L CB -0.207 41.730 42.059 -0.204 0.000 0.966 1055 L HN 0.390 nan 8.230 nan 0.000 0.454 1056 K N 0.950 121.302 120.400 -0.081 0.000 3.125 1056 K HA -0.186 4.134 4.320 -0.000 0.000 0.268 1056 K C -0.331 176.190 176.600 -0.131 0.000 1.078 1056 K CA 0.706 56.962 56.287 -0.052 0.000 0.775 1056 K CB -1.941 30.584 32.500 0.042 0.000 1.253 1056 K HN 0.528 nan 8.250 nan 0.000 0.486 1057 I N -4.586 115.838 120.570 -0.243 0.000 2.969 1057 I HA 0.621 4.791 4.170 -0.000 0.000 0.307 1057 I C -2.824 173.166 176.117 -0.210 0.000 1.149 1057 I CA -3.193 57.909 61.300 -0.330 0.000 1.008 1057 I CB 2.482 40.047 38.000 -0.724 0.000 1.232 1057 I HN -0.307 nan 8.210 nan 0.000 0.435 1058 P HA 0.113 nan 4.420 nan 0.000 0.268 1058 P C 0.809 178.062 177.300 -0.078 0.000 1.204 1058 P CA -0.115 62.930 63.100 -0.093 0.000 0.768 1058 P CB 0.737 32.399 31.700 -0.064 0.000 0.842 1059 T N -1.218 113.308 114.554 -0.047 0.000 2.918 1059 T HA -0.197 4.153 4.350 -0.000 0.000 0.271 1059 T C 1.564 176.267 174.700 0.005 0.000 1.104 1059 T CA 1.583 63.669 62.100 -0.023 0.000 1.114 1059 T CB -1.034 67.829 68.868 -0.008 0.000 0.855 1059 T HN 0.441 nan 8.240 nan 0.000 0.518 1060 S N 1.113 116.816 115.700 0.004 0.000 2.515 1060 S HA 0.069 4.539 4.470 -0.000 0.000 0.231 1060 S C 1.672 176.294 174.600 0.036 0.000 0.987 1060 S CA 0.155 58.373 58.200 0.029 0.000 0.936 1060 S CB -0.353 62.859 63.200 0.020 0.000 0.766 1060 S HN 0.620 nan 8.310 nan 0.000 0.528 1061 K N 0.340 120.744 120.400 0.008 0.000 2.374 1061 K HA 0.388 4.708 4.320 -0.000 0.000 0.196 1061 K C -0.336 176.302 176.600 0.063 0.000 1.023 1061 K CA 0.105 56.406 56.287 0.024 0.000 1.103 1061 K CB 0.288 32.763 32.500 -0.042 0.000 0.848 1061 K HN 0.454 nan 8.250 nan 0.000 0.528 1062 I N 0.660 121.269 120.570 0.065 0.000 2.406 1062 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 1062 I C -1.046 175.166 176.117 0.158 0.000 0.999 1062 I CA -1.172 60.184 61.300 0.093 0.000 1.124 1062 I CB 1.130 39.148 38.000 0.030 0.000 1.289 1062 I HN -0.118 nan 8.210 nan 0.000 0.441 1063 Y N 6.682 126.998 120.300 0.027 0.000 2.485 1063 Y HA 0.678 5.228 4.550 -0.000 0.000 0.345 1063 Y C -0.904 174.983 175.900 -0.021 0.000 0.998 1063 Y CA -0.909 57.195 58.100 0.008 0.000 1.059 1063 Y CB 1.789 40.264 38.460 0.025 0.000 1.234 1063 Y HN 0.349 nan 8.280 nan 0.000 0.461 1064 I N 4.364 124.572 120.570 -0.604 0.000 2.439 1064 I HA 0.178 4.348 4.170 -0.000 0.000 0.283 1064 I C 0.289 175.988 176.117 -0.698 0.000 1.023 1064 I CA -0.229 60.766 61.300 -0.509 0.000 1.100 1064 I CB 1.970 39.640 38.000 -0.550 0.000 1.238 1064 I HN 0.696 nan 8.210 nan 0.000 0.445 1065 S N 5.285 120.804 115.700 -0.302 0.000 2.387 1065 S HA 0.120 4.590 4.470 -0.000 0.000 0.221 1065 S C 0.431 174.946 174.600 -0.141 0.000 1.041 1065 S CA 0.765 58.897 58.200 -0.113 0.000 0.959 1065 S CB 0.298 63.601 63.200 0.171 0.000 0.843 1065 S HN 0.809 nan 8.310 nan 0.000 0.488 1066 E N -1.024 119.083 120.200 -0.156 0.000 2.422 1066 E HA 0.311 4.661 4.350 -0.000 0.000 0.280 1066 E C -1.745 174.785 176.600 -0.117 0.000 1.091 1066 E CA -0.916 55.425 56.400 -0.098 0.000 0.849 1066 E CB 0.685 30.380 29.700 -0.009 0.000 1.353 1066 E HN 0.005 nan 8.360 nan 0.000 0.449 1067 T N 1.094 115.611 114.554 -0.062 0.000 2.767 1067 T HA 0.548 4.898 4.350 -0.000 0.000 0.284 1067 T C -0.837 173.830 174.700 -0.054 0.000 0.973 1067 T CA -0.555 61.499 62.100 -0.077 0.000 0.996 1067 T CB 1.262 70.101 68.868 -0.048 0.000 0.927 1067 T HN 0.406 nan 8.240 nan 0.000 0.456 1068 S N 1.011 116.680 115.700 -0.053 0.000 2.548 1068 S HA 0.396 4.866 4.470 -0.000 0.000 0.276 1068 S C 1.334 175.912 174.600 -0.037 0.000 1.129 1068 S CA -0.550 57.621 58.200 -0.049 0.000 0.931 1068 S CB 1.277 64.454 63.200 -0.040 0.000 1.068 1068 S HN 0.835 nan 8.310 nan 0.000 0.480 1069 T N 1.278 115.805 114.554 -0.044 0.000 2.977 1069 T HA -0.115 4.235 4.350 -0.000 0.000 0.271 1069 T C 1.187 175.876 174.700 -0.018 0.000 1.105 1069 T CA 1.503 63.584 62.100 -0.032 0.000 1.116 1069 T CB -0.560 68.284 68.868 -0.041 0.000 0.878 1069 T HN 0.669 nan 8.240 nan 0.000 0.509 1070 N N 1.320 120.009 118.700 -0.018 0.000 2.270 1070 N HA 0.012 4.752 4.740 -0.000 0.000 0.198 1070 N C 1.219 176.740 175.510 0.018 0.000 1.117 1070 N CA 0.762 53.811 53.050 -0.002 0.000 0.845 1070 N CB -0.151 38.332 38.487 -0.006 0.000 0.980 1070 N HN 0.658 nan 8.380 nan 0.000 0.486 1071 T N -3.489 111.075 114.554 0.017 0.000 3.026 1071 T HA 0.285 4.635 4.350 -0.000 0.000 0.245 1071 T C 0.323 175.039 174.700 0.026 0.000 1.004 1071 T CA 0.023 62.143 62.100 0.034 0.000 1.069 1071 T CB 0.106 68.992 68.868 0.030 0.000 1.005 1071 T HN -0.097 nan 8.240 nan 0.000 0.472 1072 V N 4.459 124.384 119.914 0.017 0.000 2.462 1072 V HA 0.496 4.616 4.120 -0.000 0.000 0.288 1072 V C -2.634 173.479 176.094 0.031 0.000 1.020 1072 V CA -1.943 60.377 62.300 0.034 0.000 0.857 1072 V CB 1.942 33.789 31.823 0.040 0.000 1.013 1072 V HN 0.293 nan 8.190 nan 0.000 0.431 1073 P HA 0.322 nan 4.420 nan 0.000 0.278 1073 P C -0.301 177.022 177.300 0.039 0.000 1.266 1073 P CA -0.309 62.806 63.100 0.025 0.000 0.807 1073 P CB 0.577 32.287 31.700 0.016 0.000 1.094 1074 N N -1.656 117.056 118.700 0.021 0.000 2.699 1074 N HA -0.127 4.613 4.740 -0.000 0.000 0.256 1074 N C 0.015 175.550 175.510 0.042 0.000 0.993 1074 N CA 1.153 54.220 53.050 0.027 0.000 0.759 1074 N CB -2.339 36.170 38.487 0.037 0.000 0.906 1074 N HN 0.645 nan 8.380 nan 0.000 0.541 1075 T N -3.206 111.358 114.554 0.018 0.000 2.922 1075 T HA 0.547 4.897 4.350 -0.000 0.000 0.285 1075 T C 0.650 175.328 174.700 -0.036 0.000 1.005 1075 T CA -0.689 61.418 62.100 0.012 0.000 1.061 1075 T CB 1.838 70.717 68.868 0.018 0.000 1.007 1075 T HN 0.121 nan 8.240 nan 0.000 0.502 1076 S N 3.417 119.077 115.700 -0.066 0.000 2.617 1076 S HA 0.447 4.917 4.470 -0.000 0.000 0.269 1076 S C -2.056 172.497 174.600 -0.080 0.000 1.292 1076 S CA -1.008 57.087 58.200 -0.174 0.000 1.010 1076 S CB 0.261 63.248 63.200 -0.354 0.000 0.944 1076 S HN 0.747 nan 8.310 nan 0.000 0.536 1077 P HA 0.061 nan 4.420 nan 0.000 0.270 1077 P C -0.708 176.659 177.300 0.111 0.000 1.223 1077 P CA -0.192 62.914 63.100 0.009 0.000 0.785 1077 P CB 0.061 31.769 31.700 0.013 0.000 0.923 1078 T N 1.387 115.973 114.554 0.055 0.000 2.987 1078 T HA 0.486 4.836 4.350 -0.000 0.000 0.288 1078 T C 0.278 174.994 174.700 0.027 0.000 0.981 1078 T CA 0.243 62.369 62.100 0.043 0.000 1.031 1078 T CB -0.669 68.189 68.868 -0.016 0.000 0.976 1078 T HN 0.604 nan 8.240 nan 0.000 0.612 1079 A N 1.840 124.692 122.820 0.054 0.000 2.515 1079 A HA 0.875 5.195 4.320 -0.000 0.000 0.299 1079 A C 0.691 178.029 177.584 -0.410 0.000 1.179 1079 A CA -0.274 51.711 52.037 -0.086 0.000 0.656 1079 A CB 0.154 19.159 19.000 0.007 0.000 1.306 1079 A HN 1.383 nan 8.150 nan 0.000 0.459 1080 A N -1.175 121.367 122.820 -0.463 0.000 3.132 1080 A HA -0.006 4.314 4.320 -0.000 0.000 0.266 1080 A C 1.308 178.658 177.584 -0.390 0.000 1.216 1080 A CA 1.953 53.634 52.037 -0.594 0.000 0.985 1080 A CB -2.416 15.792 19.000 -1.320 0.000 1.102 1080 A HN 2.505 nan 8.150 nan 0.000 0.833 1081 S N -4.824 110.711 115.700 -0.276 0.000 2.929 1081 S HA -0.360 4.110 4.470 -0.000 0.000 0.271 1081 S C 1.194 175.691 174.600 -0.172 0.000 1.295 1081 S CA 2.006 60.089 58.200 -0.195 0.000 1.277 1081 S CB -2.418 60.669 63.200 -0.190 0.000 1.557 1081 S HN 2.256 nan 8.310 nan 0.000 0.666 1082 V N -1.045 118.733 119.914 -0.227 0.000 3.541 1082 V HA 0.177 4.297 4.120 -0.000 0.000 0.267 1082 V C 1.809 177.866 176.094 -0.062 0.000 1.213 1082 V CA 1.132 63.352 62.300 -0.134 0.000 1.149 1082 V CB -0.202 31.532 31.823 -0.148 0.000 0.822 1082 V HN 0.428 nan 8.190 nan 0.000 0.462 1083 S N 2.067 117.728 115.700 -0.065 0.000 2.387 1083 S HA -0.205 4.265 4.470 -0.000 0.000 0.230 1083 S C 2.208 176.758 174.600 -0.083 0.000 1.035 1083 S CA 1.969 60.146 58.200 -0.038 0.000 1.014 1083 S CB -0.507 62.670 63.200 -0.038 0.000 0.836 1083 S HN 0.906 nan 8.310 nan 0.000 0.466 1084 A N 1.676 124.441 122.820 -0.091 0.000 1.929 1084 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 1084 A C 1.810 179.330 177.584 -0.107 0.000 1.176 1084 A CA 1.351 53.322 52.037 -0.109 0.000 0.628 1084 A CB -0.438 18.512 19.000 -0.083 0.000 0.816 1084 A HN 0.335 nan 8.150 nan 0.000 0.444 1085 D N 0.299 120.657 120.400 -0.069 0.000 2.084 1085 D HA -0.088 4.552 4.640 -0.000 0.000 0.196 1085 D C 2.026 178.235 176.300 -0.151 0.000 0.985 1085 D CA 1.117 55.072 54.000 -0.075 0.000 0.826 1085 D CB -0.365 40.456 40.800 0.036 0.000 0.978 1085 D HN 0.433 nan 8.370 nan 0.000 0.456 1086 L N 0.465 121.653 121.223 -0.058 0.000 1.988 1086 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 1086 L C 2.003 178.825 176.870 -0.080 0.000 1.071 1086 L CA 1.263 56.106 54.840 0.005 0.000 0.744 1086 L CB -0.550 41.557 42.059 0.079 0.000 0.893 1086 L HN -0.039 nan 8.230 nan 0.000 0.433 1087 N N 0.093 118.732 118.700 -0.103 0.000 2.188 1087 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 1087 N C 1.866 177.268 175.510 -0.181 0.000 1.018 1087 N CA 1.139 54.104 53.050 -0.142 0.000 0.858 1087 N CB -0.368 37.958 38.487 -0.268 0.000 0.989 1087 N HN 0.324 nan 8.380 nan 0.000 0.426 1088 G N 0.216 108.893 108.800 -0.204 0.000 2.448 1088 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 1088 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 1088 G C 1.595 176.383 174.900 -0.186 0.000 1.127 1088 G CA 0.651 45.648 45.100 -0.171 0.000 0.766 1088 G HN 0.216 nan 8.290 nan 0.000 0.552 1089 Q N 0.297 119.916 119.800 -0.302 0.000 2.096 1089 Q HA 0.274 4.614 4.340 -0.000 0.000 0.197 1089 Q C 2.738 178.654 176.000 -0.140 0.000 0.964 1089 Q CA 1.537 57.084 55.803 -0.427 0.000 0.838 1089 Q CB -0.446 27.651 28.738 -1.069 0.000 0.906 1089 Q HN 0.348 nan 8.270 nan 0.000 0.444 1090 A N -0.714 122.063 122.820 -0.071 0.000 1.898 1090 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 1090 A C 2.229 179.846 177.584 0.056 0.000 1.181 1090 A CA 1.419 53.478 52.037 0.036 0.000 0.620 1090 A CB -0.781 18.237 19.000 0.030 0.000 0.819 1090 A HN 0.248 nan 8.150 nan 0.000 0.442 1091 V N -1.280 118.649 119.914 0.025 0.000 2.287 1091 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 1091 V C 2.331 178.459 176.094 0.056 0.000 1.053 1091 V CA 2.244 64.567 62.300 0.039 0.000 1.027 1091 V CB -1.006 30.826 31.823 0.016 0.000 0.646 1091 V HN 0.726 nan 8.190 nan 0.000 0.447 1092 Y N 1.287 121.544 120.300 -0.072 0.000 2.114 1092 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 1092 Y C 2.383 178.266 175.900 -0.029 0.000 1.165 1092 Y CA 1.985 60.041 58.100 -0.073 0.000 1.148 1092 Y CB -0.536 37.814 38.460 -0.185 0.000 0.972 1092 Y HN 0.169 nan 8.280 nan 0.000 0.504 1093 A N 0.401 123.322 122.820 0.170 0.000 1.908 1093 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 1093 A C 2.401 180.000 177.584 0.025 0.000 1.181 1093 A CA 2.015 54.122 52.037 0.118 0.000 0.627 1093 A CB -1.525 17.578 19.000 0.171 0.000 0.818 1093 A HN 0.643 nan 8.150 nan 0.000 0.445 1094 A N -1.052 121.785 122.820 0.029 0.000 1.898 1094 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 1094 A C 2.304 179.880 177.584 -0.013 0.000 1.181 1094 A CA 1.613 53.661 52.037 0.019 0.000 0.620 1094 A CB -1.257 17.758 19.000 0.024 0.000 0.819 1094 A HN 0.605 nan 8.150 nan 0.000 0.442 1095 C N -0.667 118.598 119.300 -0.058 0.000 2.429 1095 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 1095 C C 2.891 177.825 174.990 -0.092 0.000 1.262 1095 C CA 1.151 60.128 59.018 -0.069 0.000 1.733 1095 C CB -1.094 26.572 27.740 -0.125 0.000 2.010 1095 C HN 0.604 nan 8.230 nan 0.000 0.483 1096 Q N 0.393 120.076 119.800 -0.195 0.000 2.084 1096 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 1096 Q C 2.207 178.181 176.000 -0.043 0.000 0.978 1096 Q CA 1.951 57.663 55.803 -0.152 0.000 0.844 1096 Q CB -1.217 27.409 28.738 -0.186 0.000 0.898 1096 Q HN 0.654 nan 8.270 nan 0.000 0.426 1097 T N 1.956 116.500 114.554 -0.017 0.000 2.684 1097 T HA -0.101 4.248 4.350 -0.000 0.000 0.267 1097 T C 1.896 176.610 174.700 0.025 0.000 1.036 1097 T CA 0.915 63.023 62.100 0.014 0.000 1.148 1097 T CB -0.076 68.808 68.868 0.027 0.000 0.863 1097 T HN 0.121 nan 8.240 nan 0.000 0.436 1098 I N 0.990 121.582 120.570 0.037 0.000 2.226 1098 I HA -0.069 4.101 4.170 -0.000 0.000 0.245 1098 I C 2.363 178.524 176.117 0.074 0.000 1.100 1098 I CA 1.219 62.558 61.300 0.065 0.000 1.374 1098 I CB -1.240 36.830 38.000 0.116 0.000 1.057 1098 I HN 0.279 nan 8.210 nan 0.000 0.413 1099 L N 0.393 121.659 121.223 0.072 0.000 2.017 1099 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 1099 L C 2.553 179.435 176.870 0.020 0.000 1.073 1099 L CA 1.281 56.161 54.840 0.066 0.000 0.745 1099 L CB -0.670 41.412 42.059 0.038 0.000 0.894 1099 L HN 0.145 nan 8.230 nan 0.000 0.432 1100 K N 0.732 121.138 120.400 0.011 0.000 2.211 1100 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 1100 K C 2.055 178.664 176.600 0.015 0.000 1.047 1100 K CA 1.499 57.788 56.287 0.003 0.000 0.935 1100 K CB -0.075 32.429 32.500 0.006 0.000 0.728 1100 K HN 0.189 nan 8.250 nan 0.000 0.452 1101 R N -0.638 119.882 120.500 0.034 0.000 2.161 1101 R HA 0.158 4.498 4.340 -0.000 0.000 0.213 1101 R C 1.969 178.339 176.300 0.117 0.000 1.055 1101 R CA 0.757 56.895 56.100 0.063 0.000 0.996 1101 R CB -0.012 30.318 30.300 0.049 0.000 0.901 1101 R HN 0.153 nan 8.270 nan 0.000 0.456 1102 L N 0.427 121.693 121.223 0.071 0.000 2.446 1102 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 1102 L C 2.143 179.027 176.870 0.022 0.000 1.116 1102 L CA 0.296 55.191 54.840 0.091 0.000 0.844 1102 L CB -0.185 41.871 42.059 -0.005 0.000 0.970 1102 L HN 0.088 nan 8.230 nan 0.000 0.457 1103 E N 0.942 121.110 120.200 -0.054 0.000 2.068 1103 E HA -0.243 4.107 4.350 -0.000 0.000 0.207 1103 E C -0.238 176.239 176.600 -0.205 0.000 1.032 1103 E CA 2.045 58.359 56.400 -0.143 0.000 0.839 1103 E CB -1.440 28.202 29.700 -0.096 0.000 0.758 1103 E HN 0.307 nan 8.360 nan 0.000 0.457 1104 P HA -0.176 nan 4.420 nan 0.000 0.216 1104 P C 1.165 178.115 177.300 -0.583 0.000 1.154 1104 P CA 1.614 64.445 63.100 -0.447 0.000 0.865 1104 P CB -0.284 31.042 31.700 -0.624 0.000 0.789 1105 Y N -0.601 119.620 120.300 -0.133 0.000 2.337 1105 Y HA -0.025 4.525 4.550 -0.000 0.000 0.293 1105 Y C 2.500 178.257 175.900 -0.237 0.000 1.123 1105 Y CA 0.894 58.936 58.100 -0.096 0.000 1.201 1105 Y CB -0.820 37.635 38.460 -0.010 0.000 1.011 1105 Y HN -0.091 nan 8.280 nan 0.000 0.545 1106 K N 1.149 121.246 120.400 -0.505 0.000 2.057 1106 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 1106 K C 1.929 178.348 176.600 -0.302 0.000 1.050 1106 K CA 1.355 57.088 56.287 -0.923 0.000 0.935 1106 K CB -0.073 31.762 32.500 -1.108 0.000 0.715 1106 K HN 0.211 nan 8.250 nan 0.000 0.439 1107 K N 0.757 121.018 120.400 -0.232 0.000 2.009 1107 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 1107 K C 2.025 178.591 176.600 -0.057 0.000 1.049 1107 K CA 1.754 57.967 56.287 -0.125 0.000 0.929 1107 K CB -0.028 32.391 32.500 -0.136 0.000 0.714 1107 K HN 0.146 nan 8.250 nan 0.000 0.440 1108 K N 0.179 120.540 120.400 -0.065 0.000 2.360 1108 K HA -0.111 4.209 4.320 -0.000 0.000 0.201 1108 K C 0.629 177.274 176.600 0.074 0.000 1.046 1108 K CA 0.690 56.973 56.287 -0.007 0.000 0.945 1108 K CB -0.035 32.450 32.500 -0.026 0.000 0.750 1108 K HN 0.027 nan 8.250 nan 0.000 0.464 1109 N N -0.464 118.323 118.700 0.145 0.000 2.697 1109 N HA 0.147 4.887 4.740 -0.000 0.000 0.253 1109 N C -2.572 173.158 175.510 0.366 0.000 1.604 1109 N CA -1.609 51.587 53.050 0.243 0.000 0.772 1109 N CB 1.066 39.734 38.487 0.301 0.000 1.267 1109 N HN -0.259 nan 8.380 nan 0.000 0.510 1110 P HA -0.088 nan 4.420 nan 0.000 0.216 1110 P C 0.792 178.281 177.300 0.315 0.000 1.153 1110 P CA 1.234 64.487 63.100 0.254 0.000 0.858 1110 P CB 0.318 32.096 31.700 0.131 0.000 0.789 1111 S N -1.108 114.716 115.700 0.205 0.000 2.607 1111 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 1111 S C 1.302 175.964 174.600 0.104 0.000 0.969 1111 S CA 0.425 58.709 58.200 0.141 0.000 0.927 1111 S CB -0.928 62.324 63.200 0.088 0.000 0.772 1111 S HN 0.240 nan 8.310 nan 0.000 0.533 1112 G N 1.739 110.635 108.800 0.160 0.000 2.634 1112 G HA2 0.413 4.373 3.960 -0.000 0.000 0.255 1112 G HA3 0.413 4.373 3.960 -0.000 0.000 0.255 1112 G C 0.079 174.710 174.900 -0.447 0.000 1.205 1112 G CA -0.396 44.665 45.100 -0.064 0.000 0.884 1112 G HN 0.406 nan 8.290 nan 0.000 0.549 1113 S N -0.452 114.896 115.700 -0.587 0.000 2.730 1113 S HA 0.215 4.685 4.470 -0.000 0.000 0.284 1113 S C 1.079 175.034 174.600 -1.075 0.000 1.153 1113 S CA -0.592 57.215 58.200 -0.654 0.000 0.995 1113 S CB 1.207 64.240 63.200 -0.278 0.000 1.058 1113 S HN 0.815 nan 8.310 nan 0.000 0.552 1114 W N 1.356 122.156 121.300 -0.833 0.000 2.335 1114 W HA -0.185 4.475 4.660 -0.000 0.000 0.311 1114 W C 1.139 177.524 176.519 -0.225 0.000 1.213 1114 W CA 2.246 59.327 57.345 -0.440 0.000 1.274 1114 W CB -0.565 28.826 29.460 -0.115 0.000 1.148 1114 W HN 0.822 nan 8.180 nan 0.000 0.498 1115 E N 0.857 120.987 120.200 -0.116 0.000 2.118 1115 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 1115 E C 1.688 178.162 176.600 -0.209 0.000 0.992 1115 E CA 1.934 58.245 56.400 -0.150 0.000 0.804 1115 E CB -0.735 28.944 29.700 -0.035 0.000 0.741 1115 E HN 0.240 nan 8.360 nan 0.000 0.458 1116 D N -0.626 119.611 120.400 -0.271 0.000 2.097 1116 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 1116 D C 1.688 177.944 176.300 -0.073 0.000 0.989 1116 D CA 0.867 54.750 54.000 -0.195 0.000 0.827 1116 D CB -0.207 40.438 40.800 -0.259 0.000 0.966 1116 D HN 0.284 nan 8.370 nan 0.000 0.456 1117 W N 1.246 122.487 121.300 -0.099 0.000 2.355 1117 W HA -0.088 4.572 4.660 -0.000 0.000 0.309 1117 W C 2.431 178.769 176.519 -0.303 0.000 1.206 1117 W CA 0.113 57.379 57.345 -0.132 0.000 1.284 1117 W CB -1.409 27.983 29.460 -0.113 0.000 1.145 1117 W HN -0.139 nan 8.180 nan 0.000 0.502 1118 V N 0.806 120.574 119.914 -0.243 0.000 2.287 1118 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 1118 V C 2.280 178.272 176.094 -0.171 0.000 1.053 1118 V CA 2.720 64.820 62.300 -0.333 0.000 1.027 1118 V CB -1.530 30.008 31.823 -0.475 0.000 0.646 1118 V HN 0.151 nan 8.190 nan 0.000 0.447 1119 T N 0.379 114.865 114.554 -0.113 0.000 2.684 1119 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 1119 T C 2.072 176.764 174.700 -0.014 0.000 1.036 1119 T CA 1.749 63.838 62.100 -0.019 0.000 1.148 1119 T CB -0.520 68.339 68.868 -0.014 0.000 0.863 1119 T HN 0.586 nan 8.240 nan 0.000 0.436 1120 A N 1.638 124.424 122.820 -0.057 0.000 1.865 1120 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 1120 A C 2.692 180.026 177.584 -0.418 0.000 1.191 1120 A CA 2.088 54.075 52.037 -0.083 0.000 0.623 1120 A CB -1.300 17.770 19.000 0.116 0.000 0.826 1120 A HN 0.522 nan 8.150 nan 0.000 0.444 1121 A N -1.460 120.908 122.820 -0.754 0.000 1.908 1121 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 1121 A C 2.171 179.514 177.584 -0.401 0.000 1.181 1121 A CA 1.877 53.310 52.037 -1.006 0.000 0.627 1121 A CB -0.913 17.663 19.000 -0.706 0.000 0.818 1121 A HN 0.831 nan 8.150 nan 0.000 0.445 1122 Y N 0.097 120.220 120.300 -0.295 0.000 2.128 1122 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 1122 Y C 2.156 177.983 175.900 -0.122 0.000 1.154 1122 Y CA 2.159 60.158 58.100 -0.167 0.000 1.149 1122 Y CB -0.366 38.022 38.460 -0.120 0.000 0.976 1122 Y HN 0.272 nan 8.280 nan 0.000 0.505 1123 M N -0.263 119.158 119.600 -0.297 0.000 2.630 1123 M HA -0.074 4.406 4.480 -0.000 0.000 0.254 1123 M C 0.487 176.653 176.300 -0.223 0.000 1.092 1123 M CA 1.265 56.368 55.300 -0.329 0.000 1.087 1123 M CB -0.041 32.497 32.600 -0.103 0.000 1.453 1123 M HN 0.181 nan 8.290 nan 0.000 0.509 1124 D N 0.333 120.620 120.400 -0.189 0.000 2.463 1124 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 1124 D C -0.150 176.094 176.300 -0.094 0.000 1.174 1124 D CA 0.366 54.329 54.000 -0.062 0.000 0.829 1124 D CB 0.077 40.950 40.800 0.122 0.000 0.993 1124 D HN 0.285 nan 8.370 nan 0.000 0.497 1125 T N -1.876 112.554 114.554 -0.207 0.000 3.506 1125 T HA -0.199 4.151 4.350 -0.000 0.000 0.407 1125 T C -0.049 174.596 174.700 -0.092 0.000 0.766 1125 T CA 0.114 62.106 62.100 -0.181 0.000 2.070 1125 T CB -2.477 66.314 68.868 -0.128 0.000 1.712 1125 T HN -0.024 nan 8.240 nan 0.000 0.692 1126 V N 1.681 121.537 119.914 -0.097 0.000 2.495 1126 V HA 0.634 4.754 4.120 -0.000 0.000 0.298 1126 V C 0.837 176.918 176.094 -0.022 0.000 1.031 1126 V CA -0.508 61.767 62.300 -0.043 0.000 0.871 1126 V CB 1.944 33.735 31.823 -0.055 0.000 0.988 1126 V HN 0.861 nan 8.190 nan 0.000 0.432 1127 S N 4.815 120.516 115.700 0.002 0.000 2.546 1127 S HA 0.195 4.665 4.470 -0.000 0.000 0.290 1127 S C 0.468 175.077 174.600 0.015 0.000 1.262 1127 S CA -0.141 58.070 58.200 0.018 0.000 1.083 1127 S CB -0.099 63.114 63.200 0.023 0.000 0.859 1127 S HN 0.597 nan 8.310 nan 0.000 0.495 1128 L N 4.446 125.679 121.223 0.018 0.000 2.928 1128 L HA 0.309 4.649 4.340 -0.000 0.000 0.246 1128 L C 0.547 177.429 176.870 0.020 0.000 1.239 1128 L CA -0.225 54.614 54.840 -0.001 0.000 1.035 1128 L CB 0.233 42.274 42.059 -0.031 0.000 1.360 1128 L HN 0.554 nan 8.230 nan 0.000 0.529 1129 S N 0.531 116.267 115.700 0.060 0.000 2.557 1129 S HA 0.860 5.330 4.470 -0.000 0.000 0.291 1129 S C -0.847 173.811 174.600 0.097 0.000 1.116 1129 S CA -0.329 57.959 58.200 0.147 0.000 0.992 1129 S CB 1.810 65.136 63.200 0.210 0.000 1.028 1129 S HN 0.202 nan 8.310 nan 0.000 0.484 1130 A N 2.775 125.637 122.820 0.070 0.000 2.549 1130 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 1130 A C -0.159 177.440 177.584 0.024 0.000 1.061 1130 A CA -0.684 51.380 52.037 0.045 0.000 0.690 1130 A CB 1.323 20.346 19.000 0.039 0.000 1.287 1130 A HN 0.989 nan 8.150 nan 0.000 0.402 1131 T N -0.594 113.985 114.554 0.042 0.000 2.927 1131 T HA 0.802 5.152 4.350 -0.000 0.000 0.281 1131 T C 0.289 175.038 174.700 0.081 0.000 0.998 1131 T CA -0.121 62.010 62.100 0.053 0.000 1.019 1131 T CB 1.784 70.692 68.868 0.066 0.000 1.061 1131 T HN 1.710 nan 8.240 nan 0.000 0.518 1132 G N 0.129 108.997 108.800 0.113 0.000 2.620 1132 G HA2 0.643 4.603 3.960 -0.000 0.000 0.301 1132 G HA3 0.643 4.603 3.960 -0.000 0.000 0.301 1132 G C -2.068 172.978 174.900 0.243 0.000 1.347 1132 G CA -0.797 44.392 45.100 0.149 0.000 0.971 1132 G HN 0.715 nan 8.290 nan 0.000 0.488 1133 F N 1.263 121.267 119.950 0.090 0.000 2.613 1133 F HA 0.810 5.337 4.527 -0.000 0.000 0.310 1133 F C -1.711 174.194 175.800 0.175 0.000 1.085 1133 F CA -1.180 56.880 58.000 0.101 0.000 0.945 1133 F CB 2.452 41.485 39.000 0.056 0.000 1.298 1133 F HN 0.597 nan 8.300 nan 0.000 0.455 1134 Y N 3.840 123.573 120.300 -0.945 0.000 2.558 1134 Y HA 0.634 5.183 4.550 -0.000 0.000 0.333 1134 Y C -1.788 173.663 175.900 -0.748 0.000 1.125 1134 Y CA -1.024 56.739 58.100 -0.563 0.000 1.039 1134 Y CB 1.422 39.706 38.460 -0.293 0.000 1.331 1134 Y HN 0.739 nan 8.280 nan 0.000 0.456 1135 R N 1.979 121.652 120.500 -1.378 0.000 2.584 1135 R HA 0.644 4.984 4.340 -0.000 0.000 0.276 1135 R C -1.664 173.942 176.300 -1.157 0.000 1.046 1135 R CA -0.916 54.626 56.100 -0.930 0.000 0.906 1135 R CB 1.543 31.638 30.300 -0.341 0.000 1.215 1135 R HN 0.529 nan 8.270 nan 0.000 0.449 1136 T N 4.920 119.053 114.554 -0.702 0.000 2.870 1136 T HA 0.268 4.618 4.350 -0.000 0.000 0.300 1136 T C -1.929 172.584 174.700 -0.311 0.000 0.989 1136 T CA -0.633 61.174 62.100 -0.490 0.000 1.139 1136 T CB 0.717 69.382 68.868 -0.337 0.000 0.920 1136 T HN 0.509 nan 8.240 nan 0.000 0.537 1137 P HA 0.289 nan 4.420 nan 0.000 0.282 1137 P C -0.382 176.914 177.300 -0.007 0.000 1.259 1137 P CA -0.622 62.429 63.100 -0.081 0.000 0.826 1137 P CB 0.594 32.278 31.700 -0.027 0.000 1.064 1138 N N -0.532 118.170 118.700 0.004 0.000 2.740 1138 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 1138 N C -0.565 174.958 175.510 0.022 0.000 1.062 1138 N CA 0.799 53.864 53.050 0.024 0.000 0.704 1138 N CB -1.706 36.811 38.487 0.050 0.000 0.968 1138 N HN 0.481 nan 8.380 nan 0.000 0.547 1139 L N -0.168 121.053 121.223 -0.003 0.000 2.331 1139 L HA 0.774 5.114 4.340 -0.000 0.000 0.275 1139 L C 0.951 177.811 176.870 -0.017 0.000 1.022 1139 L CA -0.510 54.316 54.840 -0.022 0.000 0.812 1139 L CB 1.990 44.022 42.059 -0.045 0.000 1.257 1139 L HN 0.270 nan 8.230 nan 0.000 0.435 1140 G N 1.547 110.331 108.800 -0.028 0.000 2.177 1140 G HA2 0.105 4.065 3.960 -0.000 0.000 0.202 1140 G HA3 0.105 4.065 3.960 -0.000 0.000 0.202 1140 G C -2.126 172.795 174.900 0.034 0.000 1.581 1140 G CA -0.710 44.394 45.100 0.007 0.000 0.983 1140 G HN 0.378 nan 8.290 nan 0.000 0.689 1141 Y N 2.050 122.293 120.300 -0.094 0.000 2.487 1141 Y HA 0.832 5.382 4.550 -0.000 0.000 0.337 1141 Y C 0.007 175.896 175.900 -0.018 0.000 1.076 1141 Y CA -0.883 57.153 58.100 -0.107 0.000 1.115 1141 Y CB 2.612 40.949 38.460 -0.204 0.000 1.235 1141 Y HN 0.841 nan 8.280 nan 0.000 0.468 1142 S N 4.688 119.846 115.700 -0.903 0.000 2.707 1142 S HA 0.342 4.812 4.470 -0.000 0.000 0.303 1142 S C -0.148 173.949 174.600 -0.839 0.000 1.132 1142 S CA -0.583 57.285 58.200 -0.553 0.000 1.046 1142 S CB 0.013 63.034 63.200 -0.297 0.000 1.004 1142 S HN 0.669 nan 8.310 nan 0.000 0.483 1143 F N 2.541 122.267 119.950 -0.374 0.000 2.365 1143 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 1143 F C 2.300 178.034 175.800 -0.111 0.000 1.090 1143 F CA 0.732 58.652 58.000 -0.134 0.000 1.408 1143 F CB 0.113 39.142 39.000 0.048 0.000 1.060 1143 F HN 0.564 nan 8.300 nan 0.000 0.534 1144 E N -0.315 119.901 120.200 0.026 0.000 2.007 1144 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 1144 E C 2.306 178.886 176.600 -0.033 0.000 0.999 1144 E CA 2.130 58.535 56.400 0.008 0.000 0.811 1144 E CB -1.272 28.424 29.700 -0.006 0.000 0.762 1144 E HN 0.384 nan 8.360 nan 0.000 0.450 1145 T N -2.030 112.466 114.554 -0.098 0.000 3.086 1145 T HA 0.050 4.400 4.350 -0.000 0.000 0.250 1145 T C 0.598 175.229 174.700 -0.114 0.000 1.074 1145 T CA 0.392 62.440 62.100 -0.087 0.000 0.988 1145 T CB -0.554 68.265 68.868 -0.083 0.000 0.988 1145 T HN 0.326 nan 8.240 nan 0.000 0.530 1146 N N 1.058 119.630 118.700 -0.213 0.000 2.714 1146 N HA -0.217 4.523 4.740 -0.000 0.000 0.252 1146 N C -0.455 175.003 175.510 -0.086 0.000 1.014 1146 N CA 0.354 53.307 53.050 -0.162 0.000 0.735 1146 N CB -1.004 37.512 38.487 0.049 0.000 0.924 1146 N HN 0.822 nan 8.380 nan 0.000 0.540 1147 S N -0.704 114.848 115.700 -0.245 0.000 2.651 1147 S HA 0.897 5.367 4.470 -0.000 0.000 0.279 1147 S C 0.171 174.735 174.600 -0.061 0.000 1.148 1147 S CA -0.038 58.119 58.200 -0.071 0.000 0.837 1147 S CB 2.151 65.313 63.200 -0.063 0.000 1.138 1147 S HN 1.092 nan 8.310 nan 0.000 0.478 1148 G N 1.063 109.877 108.800 0.024 0.000 2.690 1148 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.686 1148 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.686 1148 G C -1.526 173.431 174.900 0.096 0.000 1.277 1148 G CA -0.969 44.152 45.100 0.035 0.000 0.799 1148 G HN 0.877 nan 8.290 nan 0.000 0.613 1149 N N 1.681 120.398 118.700 0.028 0.000 2.426 1149 N HA 0.483 5.223 4.740 -0.000 0.000 0.275 1149 N C -1.685 173.704 175.510 -0.201 0.000 1.019 1149 N CA -1.482 51.547 53.050 -0.034 0.000 0.941 1149 N CB 2.084 40.571 38.487 -0.000 0.000 1.123 1149 N HN 0.185 nan 8.380 nan 0.000 0.486 1150 P HA 0.118 nan 4.420 nan 0.000 0.220 1150 P C -0.436 176.250 177.300 -1.024 0.000 1.154 1150 P CA 0.948 63.426 63.100 -1.036 0.000 0.830 1150 P CB 0.311 30.686 31.700 -2.209 0.000 0.803 1151 F N -2.841 116.879 119.950 -0.384 0.000 2.541 1151 F HA 0.399 4.926 4.527 -0.000 0.000 0.331 1151 F C 1.753 177.412 175.800 -0.236 0.000 1.057 1151 F CA -0.793 56.950 58.000 -0.429 0.000 0.975 1151 F CB 0.050 38.559 39.000 -0.819 0.000 1.246 1151 F HN -0.186 nan 8.300 nan 0.000 0.484 1152 H N -0.153 118.837 119.070 -0.133 0.000 2.497 1152 H HA 0.148 4.704 4.556 -0.000 0.000 0.282 1152 H C -1.099 174.307 175.328 0.130 0.000 1.003 1152 H CA 0.826 56.870 56.048 -0.006 0.000 1.307 1152 H CB 0.194 29.983 29.762 0.046 0.000 1.437 1152 H HN 0.505 nan 8.280 nan 0.000 0.544 1153 Y N -4.135 116.087 120.300 -0.130 0.000 2.851 1153 Y HA 0.390 4.940 4.550 -0.000 0.000 0.359 1153 Y C -2.122 173.609 175.900 -0.282 0.000 1.231 1153 Y CA -2.167 55.874 58.100 -0.098 0.000 1.106 1153 Y CB 0.178 38.597 38.460 -0.068 0.000 1.409 1153 Y HN -0.199 nan 8.280 nan 0.000 0.454 1154 F N 0.891 120.919 119.950 0.131 0.000 2.556 1154 F HA 0.737 5.264 4.527 -0.000 0.000 0.327 1154 F C 0.390 176.004 175.800 -0.310 0.000 1.059 1154 F CA -0.967 56.897 58.000 -0.227 0.000 0.953 1154 F CB 2.232 40.986 39.000 -0.411 0.000 1.227 1154 F HN 0.606 nan 8.300 nan 0.000 0.478 1155 S N 0.894 116.478 115.700 -0.194 0.000 2.578 1155 S HA 0.704 5.174 4.470 -0.000 0.000 0.283 1155 S C -1.565 172.789 174.600 -0.410 0.000 1.195 1155 S CA -0.239 57.878 58.200 -0.139 0.000 1.050 1155 S CB 0.337 63.545 63.200 0.014 0.000 1.012 1155 S HN 0.400 nan 8.310 nan 0.000 0.511 1156 Y N 0.865 121.253 120.300 0.147 0.000 2.512 1156 Y HA 0.733 5.283 4.550 -0.000 0.000 0.348 1156 Y C 0.650 176.596 175.900 0.077 0.000 0.990 1156 Y CA -0.567 57.585 58.100 0.088 0.000 1.033 1156 Y CB 2.463 40.908 38.460 -0.026 0.000 1.259 1156 Y HN 0.955 nan 8.280 nan 0.000 0.461 1157 G N 0.317 109.275 108.800 0.263 0.000 2.601 1157 G HA2 0.614 4.574 3.960 -0.000 0.000 0.291 1157 G HA3 0.614 4.574 3.960 -0.000 0.000 0.291 1157 G C -2.391 172.630 174.900 0.202 0.000 1.456 1157 G CA -0.771 44.443 45.100 0.190 0.000 0.804 1157 G HN 0.489 nan 8.290 nan 0.000 0.499 1158 V N -0.406 119.600 119.914 0.154 0.000 2.888 1158 V HA 0.900 5.020 4.120 -0.000 0.000 0.309 1158 V C -0.067 176.071 176.094 0.074 0.000 1.114 1158 V CA -0.351 62.035 62.300 0.144 0.000 0.940 1158 V CB 1.646 33.539 31.823 0.117 0.000 1.021 1158 V HN 1.750 nan 8.190 nan 0.000 0.426 1159 A N 2.144 125.006 122.820 0.069 0.000 2.486 1159 A HA 0.797 5.117 4.320 -0.000 0.000 0.300 1159 A C -1.056 176.541 177.584 0.022 0.000 1.048 1159 A CA -0.469 51.608 52.037 0.066 0.000 0.696 1159 A CB 1.801 20.925 19.000 0.206 0.000 1.278 1159 A HN 1.128 nan 8.150 nan 0.000 0.405 1160 C N 1.710 121.014 119.300 0.007 0.000 2.345 1160 C HA 0.857 5.317 4.460 -0.000 0.000 0.323 1160 C C -0.154 174.885 174.990 0.082 0.000 1.276 1160 C CA -0.062 58.968 59.018 0.019 0.000 1.543 1160 C CB 0.198 27.932 27.740 -0.009 0.000 2.211 1160 C HN 0.828 nan 8.230 nan 0.000 0.493 1161 S N 3.667 119.436 115.700 0.115 0.000 2.557 1161 S HA 0.506 4.976 4.470 -0.000 0.000 0.291 1161 S C -1.202 173.451 174.600 0.089 0.000 1.116 1161 S CA -0.444 57.829 58.200 0.121 0.000 0.992 1161 S CB 1.585 64.900 63.200 0.191 0.000 1.028 1161 S HN 0.880 nan 8.310 nan 0.000 0.484 1162 E N 2.359 122.593 120.200 0.057 0.000 2.171 1162 E HA 0.654 5.004 4.350 -0.000 0.000 0.271 1162 E C -0.818 175.794 176.600 0.021 0.000 0.916 1162 E CA -0.807 55.604 56.400 0.019 0.000 0.774 1162 E CB 1.084 30.773 29.700 -0.019 0.000 1.128 1162 E HN 0.469 nan 8.360 nan 0.000 0.403 1163 V N 0.724 120.647 119.914 0.014 0.000 3.074 1163 V HA 0.660 4.780 4.120 -0.000 0.000 0.314 1163 V C -0.791 175.298 176.094 -0.009 0.000 1.117 1163 V CA -0.931 61.397 62.300 0.047 0.000 1.014 1163 V CB 1.804 33.693 31.823 0.110 0.000 1.057 1163 V HN 0.847 nan 8.190 nan 0.000 0.438 1164 E N 1.988 122.205 120.200 0.028 0.000 2.244 1164 E HA 0.616 4.966 4.350 -0.000 0.000 0.260 1164 E C -1.172 175.502 176.600 0.124 0.000 0.884 1164 E CA -0.804 55.592 56.400 -0.007 0.000 0.777 1164 E CB 1.976 31.612 29.700 -0.106 0.000 1.197 1164 E HN 0.921 nan 8.360 nan 0.000 0.416 1165 I N 0.494 121.146 120.570 0.137 0.000 2.607 1165 I HA 0.539 4.708 4.170 -0.000 0.000 0.305 1165 I C -0.301 175.933 176.117 0.196 0.000 0.995 1165 I CA -0.884 60.522 61.300 0.175 0.000 1.148 1165 I CB 1.781 39.844 38.000 0.106 0.000 1.323 1165 I HN 0.338 nan 8.210 nan 0.000 0.461 1166 D N 4.379 124.898 120.400 0.199 0.000 2.456 1166 D HA 0.231 4.871 4.640 -0.000 0.000 0.219 1166 D C 0.650 177.076 176.300 0.210 0.000 1.126 1166 D CA -0.402 53.725 54.000 0.212 0.000 0.890 1166 D CB 1.261 42.176 40.800 0.192 0.000 1.025 1166 D HN 0.750 nan 8.370 nan 0.000 0.511 1167 C N 3.246 122.705 119.300 0.265 0.000 2.421 1167 C HA -0.055 4.405 4.460 -0.000 0.000 0.296 1167 C C 2.380 177.544 174.990 0.290 0.000 1.470 1167 C CA 0.164 59.365 59.018 0.304 0.000 1.779 1167 C CB -1.015 26.998 27.740 0.455 0.000 1.715 1167 C HN 0.655 nan 8.230 nan 0.000 0.564 1168 L N 0.196 121.543 121.223 0.207 0.000 2.556 1168 L HA 0.046 4.386 4.340 -0.000 0.000 0.226 1168 L C 2.498 179.358 176.870 -0.016 0.000 1.089 1168 L CA 1.446 56.310 54.840 0.040 0.000 0.864 1168 L CB -0.209 41.812 42.059 -0.063 0.000 1.067 1168 L HN 0.501 nan 8.230 nan 0.000 0.477 1169 T N -5.844 108.755 114.554 0.075 0.000 2.964 1169 T HA 0.284 4.634 4.350 -0.000 0.000 0.250 1169 T C 1.402 176.234 174.700 0.220 0.000 0.982 1169 T CA 0.673 62.823 62.100 0.083 0.000 0.959 1169 T CB 1.138 70.076 68.868 0.117 0.000 1.141 1169 T HN 0.233 nan 8.240 nan 0.000 0.494 1170 G N 1.468 110.379 108.800 0.184 0.000 2.179 1170 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 1170 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 1170 G C -0.198 174.784 174.900 0.138 0.000 0.990 1170 G CA 0.130 45.320 45.100 0.149 0.000 0.646 1170 G HN 0.871 nan 8.290 nan 0.000 0.517 1171 D N 0.946 121.435 120.400 0.149 0.000 2.371 1171 D HA 0.554 5.194 4.640 -0.000 0.000 0.242 1171 D C 0.573 177.005 176.300 0.221 0.000 1.218 1171 D CA 0.546 54.624 54.000 0.130 0.000 0.945 1171 D CB 0.338 41.170 40.800 0.054 0.000 1.137 1171 D HN 0.617 nan 8.370 nan 0.000 0.464 1172 H N -1.017 118.081 119.070 0.047 0.000 3.037 1172 H HA 0.387 4.943 4.556 -0.000 0.000 0.336 1172 H C -1.478 173.908 175.328 0.097 0.000 1.323 1172 H CA -0.979 55.110 56.048 0.068 0.000 1.159 1172 H CB 0.467 30.244 29.762 0.026 0.000 1.882 1172 H HN 0.334 nan 8.280 nan 0.000 0.535 1173 K N 1.347 121.744 120.400 -0.006 0.000 2.207 1173 K HA 0.305 4.625 4.320 -0.000 0.000 0.255 1173 K C -0.617 175.981 176.600 -0.003 0.000 0.941 1173 K CA -1.054 55.217 56.287 -0.026 0.000 0.825 1173 K CB 1.332 33.877 32.500 0.075 0.000 1.119 1173 K HN 0.465 nan 8.250 nan 0.000 0.430 1174 N N 4.219 122.903 118.700 -0.027 0.000 2.558 1174 N HA 0.118 4.858 4.740 -0.000 0.000 0.233 1174 N C 0.884 176.401 175.510 0.012 0.000 1.038 1174 N CA 0.014 53.085 53.050 0.034 0.000 0.934 1174 N CB 0.824 39.326 38.487 0.025 0.000 1.175 1174 N HN 0.437 nan 8.380 nan 0.000 0.512 1175 L N 0.856 122.086 121.223 0.012 0.000 1.988 1175 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 1175 L C 1.128 178.000 176.870 0.003 0.000 1.071 1175 L CA 1.131 55.967 54.840 -0.006 0.000 0.744 1175 L CB 0.040 42.076 42.059 -0.039 0.000 0.893 1175 L HN 0.367 nan 8.230 nan 0.000 0.433 1176 R N -1.076 119.431 120.500 0.011 0.000 2.626 1176 R HA 0.399 4.739 4.340 -0.000 0.000 0.274 1176 R C -1.681 174.643 176.300 0.038 0.000 1.031 1176 R CA -0.328 55.788 56.100 0.026 0.000 0.898 1176 R CB 2.199 32.513 30.300 0.025 0.000 1.222 1176 R HN -0.174 nan 8.270 nan 0.000 0.455 1177 T N 2.508 117.094 114.554 0.053 0.000 2.928 1177 T HA 0.290 4.640 4.350 -0.000 0.000 0.296 1177 T C -1.696 173.050 174.700 0.077 0.000 1.000 1177 T CA -0.634 61.497 62.100 0.052 0.000 0.989 1177 T CB 1.547 70.380 68.868 -0.058 0.000 1.005 1177 T HN 0.521 nan 8.240 nan 0.000 0.442 1178 D N 2.403 122.819 120.400 0.027 0.000 2.425 1178 D HA 0.554 5.194 4.640 -0.000 0.000 0.240 1178 D C -0.475 175.804 176.300 -0.035 0.000 1.080 1178 D CA -0.317 53.682 54.000 -0.002 0.000 0.836 1178 D CB 1.224 42.020 40.800 -0.006 0.000 1.125 1178 D HN 0.387 nan 8.370 nan 0.000 0.525 1179 I N 2.121 122.651 120.570 -0.067 0.000 2.433 1179 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 1179 I C -0.713 175.379 176.117 -0.042 0.000 1.001 1179 I CA -1.114 60.150 61.300 -0.059 0.000 1.119 1179 I CB 2.008 39.943 38.000 -0.109 0.000 1.289 1179 I HN 0.017 nan 8.210 nan 0.000 0.438 1180 V N 6.588 126.497 119.914 -0.008 0.000 2.349 1180 V HA 0.410 4.530 4.120 -0.000 0.000 0.284 1180 V C -0.262 175.852 176.094 0.034 0.000 1.014 1180 V CA -0.397 61.905 62.300 0.003 0.000 0.826 1180 V CB 1.485 33.308 31.823 0.001 0.000 1.009 1180 V HN 0.635 nan 8.190 nan 0.000 0.431 1181 M N 3.978 123.596 119.600 0.030 0.000 2.436 1181 M HA 0.533 5.013 4.480 -0.000 0.000 0.331 1181 M C -0.713 175.621 176.300 0.057 0.000 1.135 1181 M CA -0.451 54.880 55.300 0.053 0.000 0.987 1181 M CB 1.678 34.298 32.600 0.034 0.000 1.687 1181 M HN 0.626 nan 8.290 nan 0.000 0.445 1182 D N 3.071 123.524 120.400 0.087 0.000 2.467 1182 D HA 0.342 4.982 4.640 -0.000 0.000 0.220 1182 D C -0.117 176.230 176.300 0.077 0.000 1.103 1182 D CA -0.417 53.637 54.000 0.091 0.000 0.886 1182 D CB 0.605 41.495 40.800 0.149 0.000 1.025 1182 D HN 0.396 nan 8.370 nan 0.000 0.514 1183 V N 2.215 122.156 119.914 0.045 0.000 2.982 1183 V HA 0.617 4.737 4.120 -0.000 0.000 0.368 1183 V C 1.184 177.285 176.094 0.012 0.000 1.350 1183 V CA 0.260 62.578 62.300 0.030 0.000 1.251 1183 V CB -0.464 31.364 31.823 0.009 0.000 1.284 1183 V HN 0.649 nan 8.190 nan 0.000 0.533 1184 G N 1.457 110.264 108.800 0.011 0.000 2.581 1184 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.291 1184 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.291 1184 G C 0.177 175.074 174.900 -0.006 0.000 1.277 1184 G CA 0.194 45.284 45.100 -0.016 0.000 0.959 1184 G HN 0.991 nan 8.290 nan 0.000 0.554 1185 S N 0.508 116.199 115.700 -0.014 0.000 2.485 1185 S HA 0.490 4.960 4.470 -0.000 0.000 0.312 1185 S C 0.638 175.240 174.600 0.003 0.000 1.102 1185 S CA 0.675 58.875 58.200 0.001 0.000 1.066 1185 S CB 0.769 63.970 63.200 0.003 0.000 1.102 1185 S HN 1.154 nan 8.310 nan 0.000 0.519 1186 S N 3.366 119.069 115.700 0.006 0.000 2.563 1186 S HA 0.073 4.543 4.470 -0.000 0.000 0.294 1186 S C 1.345 175.938 174.600 -0.011 0.000 1.279 1186 S CA -0.368 57.828 58.200 -0.007 0.000 1.069 1186 S CB 0.079 63.269 63.200 -0.015 0.000 0.828 1186 S HN 0.653 nan 8.310 nan 0.000 0.497 1187 L N 3.558 124.771 121.223 -0.016 0.000 2.179 1187 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 1187 L C 1.154 177.999 176.870 -0.041 0.000 1.096 1187 L CA 0.508 55.339 54.840 -0.015 0.000 0.779 1187 L CB -0.157 41.902 42.059 -0.000 0.000 0.922 1187 L HN 0.618 nan 8.230 nan 0.000 0.443 1188 N N -0.740 117.921 118.700 -0.065 0.000 2.793 1188 N HA 0.109 4.849 4.740 -0.000 0.000 0.251 1188 N C -2.259 173.148 175.510 -0.170 0.000 1.308 1188 N CA -1.064 51.924 53.050 -0.104 0.000 0.781 1188 N CB 1.504 39.934 38.487 -0.097 0.000 1.439 1188 N HN -0.224 nan 8.380 nan 0.000 0.562 1189 P HA -0.076 nan 4.420 nan 0.000 0.225 1189 P C 0.951 177.942 177.300 -0.515 0.000 1.148 1189 P CA 0.717 63.586 63.100 -0.385 0.000 0.779 1189 P CB 0.481 31.852 31.700 -0.549 0.000 0.780 1190 A N 0.283 122.799 122.820 -0.507 0.000 1.898 1190 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 1190 A C 2.239 179.582 177.584 -0.402 0.000 1.183 1190 A CA 1.052 52.716 52.037 -0.622 0.000 0.622 1190 A CB -1.096 17.336 19.000 -0.948 0.000 0.824 1190 A HN 0.007 nan 8.150 nan 0.000 0.444 1191 I N 0.865 121.277 120.570 -0.263 0.000 2.202 1191 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 1191 I C 1.662 177.707 176.117 -0.120 0.000 1.091 1191 I CA 1.501 62.717 61.300 -0.140 0.000 1.368 1191 I CB -1.592 36.349 38.000 -0.098 0.000 1.058 1191 I HN 0.277 nan 8.210 nan 0.000 0.410 1192 D N 0.902 121.219 120.400 -0.137 0.000 2.144 1192 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 1192 D C 2.380 178.615 176.300 -0.107 0.000 0.978 1192 D CA 1.026 54.964 54.000 -0.104 0.000 0.833 1192 D CB -0.086 40.658 40.800 -0.093 0.000 0.961 1192 D HN 0.321 nan 8.370 nan 0.000 0.470 1193 I N 0.884 121.358 120.570 -0.159 0.000 2.315 1193 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 1193 I C 2.428 178.474 176.117 -0.119 0.000 1.117 1193 I CA 1.141 62.349 61.300 -0.153 0.000 1.404 1193 I CB -0.404 37.477 38.000 -0.198 0.000 1.071 1193 I HN 0.015 nan 8.210 nan 0.000 0.419 1194 G N -0.101 108.637 108.800 -0.102 0.000 2.443 1194 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 1194 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 1194 G C 1.592 176.485 174.900 -0.012 0.000 1.131 1194 G CA 0.212 45.284 45.100 -0.046 0.000 0.775 1194 G HN 0.275 nan 8.290 nan 0.000 0.547 1195 Q N 0.173 119.960 119.800 -0.021 0.000 2.083 1195 Q HA 0.013 4.353 4.340 -0.000 0.000 0.198 1195 Q C 2.980 178.995 176.000 0.025 0.000 0.969 1195 Q CA 0.744 56.551 55.803 0.008 0.000 0.838 1195 Q CB -0.596 28.133 28.738 -0.014 0.000 0.900 1195 Q HN 0.396 nan 8.270 nan 0.000 0.436 1196 V N 1.668 121.581 119.914 -0.001 0.000 2.261 1196 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 1196 V C 2.183 178.326 176.094 0.081 0.000 1.047 1196 V CA 1.984 64.299 62.300 0.025 0.000 1.015 1196 V CB -0.552 31.249 31.823 -0.036 0.000 0.642 1196 V HN 0.389 nan 8.190 nan 0.000 0.446 1197 E N 0.304 120.512 120.200 0.012 0.000 2.058 1197 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 1197 E C 2.324 179.053 176.600 0.215 0.000 0.997 1197 E CA 1.373 57.831 56.400 0.098 0.000 0.801 1197 E CB -0.560 29.130 29.700 -0.016 0.000 0.746 1197 E HN 0.649 nan 8.360 nan 0.000 0.450 1198 G N 1.232 110.103 108.800 0.118 0.000 2.421 1198 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 1198 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 1198 G C 1.720 176.691 174.900 0.119 0.000 1.171 1198 G CA 0.971 46.131 45.100 0.099 0.000 0.775 1198 G HN 0.351 nan 8.290 nan 0.000 0.543 1199 A N 0.402 123.302 122.820 0.132 0.000 1.877 1199 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 1199 A C 2.212 179.877 177.584 0.135 0.000 1.186 1199 A CA 1.639 53.744 52.037 0.114 0.000 0.620 1199 A CB -0.646 18.407 19.000 0.088 0.000 0.822 1199 A HN 0.399 nan 8.150 nan 0.000 0.443 1200 F N 0.544 120.538 119.950 0.074 0.000 2.126 1200 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 1200 F C 2.224 178.066 175.800 0.069 0.000 1.096 1200 F CA 1.968 60.029 58.000 0.103 0.000 1.255 1200 F CB -0.088 39.035 39.000 0.206 0.000 0.997 1200 F HN 0.035 nan 8.300 nan 0.000 0.479 1201 V N 0.063 120.159 119.914 0.302 0.000 2.515 1201 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 1201 V C 2.200 178.273 176.094 -0.035 0.000 1.058 1201 V CA 2.005 64.391 62.300 0.143 0.000 1.064 1201 V CB -0.649 31.261 31.823 0.145 0.000 0.675 1201 V HN 0.408 nan 8.190 nan 0.000 0.461 1202 Q N -0.203 119.558 119.800 -0.065 0.000 2.172 1202 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 1202 Q C 2.358 178.200 176.000 -0.264 0.000 0.964 1202 Q CA 1.404 57.122 55.803 -0.143 0.000 0.855 1202 Q CB -0.364 28.313 28.738 -0.102 0.000 0.918 1202 Q HN 0.722 nan 8.270 nan 0.000 0.444 1203 G N 0.881 109.504 108.800 -0.296 0.000 2.408 1203 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 1203 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 1203 G C 1.339 175.950 174.900 -0.481 0.000 1.150 1203 G CA 0.320 45.122 45.100 -0.496 0.000 0.776 1203 G HN 0.232 nan 8.290 nan 0.000 0.542 1204 L N 1.648 122.671 121.223 -0.333 0.000 2.083 1204 L HA 0.137 4.477 4.340 -0.000 0.000 0.209 1204 L C 2.684 179.473 176.870 -0.135 0.000 1.083 1204 L CA 2.173 56.902 54.840 -0.185 0.000 0.752 1204 L CB -0.906 41.090 42.059 -0.104 0.000 0.899 1204 L HN 0.162 nan 8.230 nan 0.000 0.433 1205 G N -1.029 107.658 108.800 -0.189 0.000 2.430 1205 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.216 1205 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.216 1205 G C 1.523 176.272 174.900 -0.252 0.000 1.146 1205 G CA 0.690 45.677 45.100 -0.189 0.000 0.793 1205 G HN 0.408 nan 8.290 nan 0.000 0.537 1206 L N -0.464 120.509 121.223 -0.418 0.000 2.093 1206 L HA 0.226 4.566 4.340 -0.000 0.000 0.208 1206 L C 1.879 178.503 176.870 -0.409 0.000 1.085 1206 L CA 1.558 56.067 54.840 -0.552 0.000 0.755 1206 L CB -0.438 41.057 42.059 -0.940 0.000 0.904 1206 L HN 0.151 nan 8.230 nan 0.000 0.435 1207 F N -1.035 118.841 119.950 -0.122 0.000 2.749 1207 F HA 0.209 4.736 4.527 -0.000 0.000 0.300 1207 F C 1.870 177.704 175.800 0.057 0.000 1.103 1207 F CA 0.698 58.676 58.000 -0.037 0.000 1.342 1207 F CB -0.763 38.203 39.000 -0.057 0.000 1.098 1207 F HN 0.322 nan 8.300 nan 0.000 0.586 1208 T N -5.474 109.154 114.554 0.125 0.000 3.073 1208 T HA 0.220 4.570 4.350 -0.000 0.000 0.264 1208 T C 1.011 175.728 174.700 0.028 0.000 0.893 1208 T CA 0.212 62.356 62.100 0.074 0.000 0.863 1208 T CB -0.153 68.764 68.868 0.082 0.000 1.247 1208 T HN 0.011 nan 8.240 nan 0.000 0.546 1209 L N 0.682 121.887 121.223 -0.030 0.000 2.713 1209 L HA 0.560 4.900 4.340 -0.000 0.000 0.223 1209 L C 0.273 177.044 176.870 -0.165 0.000 1.040 1209 L CA 0.475 55.268 54.840 -0.079 0.000 0.894 1209 L CB 0.172 42.172 42.059 -0.098 0.000 1.361 1209 L HN 0.238 nan 8.230 nan 0.000 0.490 1210 E N 1.188 121.247 120.200 -0.236 0.000 2.290 1210 E HA 0.320 4.670 4.350 -0.000 0.000 0.277 1210 E C -0.321 176.209 176.600 -0.117 0.000 1.035 1210 E CA 0.142 56.312 56.400 -0.383 0.000 0.873 1210 E CB 0.826 30.288 29.700 -0.396 0.000 1.029 1210 E HN 0.087 nan 8.360 nan 0.000 0.419 1211 E N 3.531 123.716 120.200 -0.025 0.000 2.335 1211 E HA 0.272 4.622 4.350 -0.000 0.000 0.280 1211 E C -1.694 174.970 176.600 0.105 0.000 0.918 1211 E CA -0.537 55.896 56.400 0.055 0.000 0.765 1211 E CB 1.081 30.765 29.700 -0.027 0.000 1.218 1211 E HN 0.350 nan 8.360 nan 0.000 0.425 1212 L N 3.947 125.181 121.223 0.018 0.000 2.313 1212 L HA 0.504 4.844 4.340 -0.000 0.000 0.283 1212 L C -0.796 175.941 176.870 -0.221 0.000 1.013 1212 L CA -0.783 54.029 54.840 -0.046 0.000 0.816 1212 L CB 1.358 43.440 42.059 0.038 0.000 1.236 1212 L HN 0.576 nan 8.230 nan 0.000 0.419 1213 H N 2.142 121.205 119.070 -0.012 0.000 2.476 1213 H HA 0.502 5.058 4.556 -0.000 0.000 0.328 1213 H C -1.289 173.883 175.328 -0.260 0.000 1.073 1213 H CA -0.320 55.738 56.048 0.017 0.000 1.229 1213 H CB 1.154 30.998 29.762 0.137 0.000 1.432 1213 H HN 0.312 nan 8.280 nan 0.000 0.477 1214 Y N 0.575 120.891 120.300 0.026 0.000 2.429 1214 Y HA 0.281 4.831 4.550 -0.000 0.000 0.342 1214 Y C 0.614 176.368 175.900 -0.243 0.000 1.004 1214 Y CA -1.054 56.943 58.100 -0.172 0.000 1.075 1214 Y CB 1.623 40.015 38.460 -0.114 0.000 1.214 1214 Y HN 0.679 nan 8.280 nan 0.000 0.455 1215 S N 1.878 117.346 115.700 -0.386 0.000 2.617 1215 S HA 0.190 4.660 4.470 -0.000 0.000 0.259 1215 S C -2.044 172.508 174.600 -0.081 0.000 1.301 1215 S CA -0.883 57.172 58.200 -0.241 0.000 0.984 1215 S CB 0.990 63.989 63.200 -0.336 0.000 0.954 1215 S HN 0.462 nan 8.310 nan 0.000 0.572 1216 P HA -0.074 nan 4.420 nan 0.000 0.218 1216 P C 0.744 178.025 177.300 -0.032 0.000 1.149 1216 P CA 1.036 64.124 63.100 -0.021 0.000 0.817 1216 P CB -0.074 31.623 31.700 -0.004 0.000 0.785 1217 E N -0.639 119.535 120.200 -0.044 0.000 2.320 1217 E HA 0.169 4.519 4.350 -0.000 0.000 0.189 1217 E C 1.085 177.658 176.600 -0.045 0.000 1.100 1217 E CA 0.362 56.737 56.400 -0.042 0.000 1.009 1217 E CB -1.243 28.431 29.700 -0.042 0.000 1.145 1217 E HN 0.202 nan 8.360 nan 0.000 0.454 1218 G N 1.014 109.790 108.800 -0.040 0.000 2.153 1218 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.252 1218 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.252 1218 G C 0.167 175.085 174.900 0.030 0.000 0.994 1218 G CA 0.618 45.709 45.100 -0.016 0.000 0.698 1218 G HN 0.425 nan 8.290 nan 0.000 0.521 1219 S N -0.212 115.454 115.700 -0.057 0.000 2.422 1219 S HA 0.581 5.051 4.470 -0.000 0.000 0.298 1219 S C 0.451 174.885 174.600 -0.276 0.000 1.118 1219 S CA -0.660 57.468 58.200 -0.119 0.000 1.083 1219 S CB 0.704 63.800 63.200 -0.175 0.000 0.971 1219 S HN 1.214 nan 8.310 nan 0.000 0.478 1220 L N 6.814 127.934 121.223 -0.171 0.000 2.559 1220 L HA 0.171 4.511 4.340 -0.000 0.000 0.274 1220 L C 1.025 177.674 176.870 -0.367 0.000 1.205 1220 L CA 0.984 55.553 54.840 -0.452 0.000 0.907 1220 L CB 0.200 42.075 42.059 -0.308 0.000 1.153 1220 L HN 0.792 nan 8.230 nan 0.000 0.490 1221 H N 1.942 120.844 119.070 -0.280 0.000 2.451 1221 H HA 0.147 4.703 4.556 -0.000 0.000 0.294 1221 H C 0.084 175.414 175.328 0.003 0.000 1.028 1221 H CA 0.777 56.754 56.048 -0.119 0.000 1.349 1221 H CB 0.114 29.750 29.762 -0.210 0.000 1.444 1221 H HN 0.592 nan 8.280 nan 0.000 0.538 1222 T N 3.065 117.674 114.554 0.091 0.000 2.776 1222 T HA 0.270 4.620 4.350 -0.000 0.000 0.292 1222 T C 1.003 175.729 174.700 0.044 0.000 0.921 1222 T CA -0.168 62.006 62.100 0.124 0.000 1.038 1222 T CB 0.458 69.422 68.868 0.161 0.000 0.910 1222 T HN 0.271 nan 8.240 nan 0.000 0.536 1223 R N 1.927 122.477 120.500 0.084 0.000 2.659 1223 R HA 0.456 4.796 4.340 -0.000 0.000 0.418 1223 R C 0.593 176.954 176.300 0.102 0.000 1.076 1223 R CA -0.625 55.517 56.100 0.070 0.000 1.093 1223 R CB 1.237 31.585 30.300 0.081 0.000 1.400 1223 R HN 0.717 nan 8.270 nan 0.000 0.583 1224 G N 0.555 109.451 108.800 0.160 0.000 2.466 1224 G HA2 0.144 4.104 3.960 -0.000 0.000 0.291 1224 G HA3 0.144 4.104 3.960 -0.000 0.000 0.291 1224 G C -2.633 172.468 174.900 0.334 0.000 1.460 1224 G CA -0.821 44.411 45.100 0.221 0.000 0.791 1224 G HN -0.281 nan 8.290 nan 0.000 0.505 1225 P HA -0.120 nan 4.420 nan 0.000 0.221 1225 P C 1.857 179.236 177.300 0.132 0.000 1.145 1225 P CA 1.914 65.168 63.100 0.256 0.000 0.795 1225 P CB 0.142 31.992 31.700 0.251 0.000 0.775 1226 S N -0.137 115.630 115.700 0.111 0.000 2.383 1226 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 1226 S C 1.913 176.554 174.600 0.069 0.000 1.026 1226 S CA 1.971 60.205 58.200 0.057 0.000 0.981 1226 S CB -1.821 61.385 63.200 0.009 0.000 0.818 1226 S HN 0.359 nan 8.310 nan 0.000 0.472 1227 T N -3.631 110.997 114.554 0.122 0.000 2.990 1227 T HA 0.246 4.596 4.350 -0.000 0.000 0.249 1227 T C 0.097 174.929 174.700 0.220 0.000 1.039 1227 T CA -0.298 61.896 62.100 0.158 0.000 1.036 1227 T CB -0.410 68.572 68.868 0.190 0.000 0.994 1227 T HN 0.354 nan 8.240 nan 0.000 0.489 1228 Y N 3.390 123.745 120.300 0.093 0.000 2.504 1228 Y HA 0.488 5.038 4.550 -0.000 0.000 0.339 1228 Y C -0.763 175.136 175.900 -0.001 0.000 0.974 1228 Y CA -1.815 56.331 58.100 0.076 0.000 1.232 1228 Y CB 0.606 39.144 38.460 0.131 0.000 1.108 1228 Y HN -0.134 nan 8.280 nan 0.000 0.509 1229 K N 8.721 128.921 120.400 -0.334 0.000 2.266 1229 K HA 0.279 4.599 4.320 -0.000 0.000 0.274 1229 K C -0.110 176.244 176.600 -0.409 0.000 1.090 1229 K CA -0.290 55.823 56.287 -0.290 0.000 0.925 1229 K CB 0.305 32.714 32.500 -0.153 0.000 1.225 1229 K HN 0.798 nan 8.250 nan 0.000 0.458 1230 I N -0.672 119.660 120.570 -0.397 0.000 2.970 1230 I HA 0.405 4.575 4.170 -0.000 0.000 0.310 1230 I C -2.165 173.860 176.117 -0.152 0.000 1.010 1230 I CA -2.776 58.335 61.300 -0.315 0.000 1.228 1230 I CB 0.185 37.999 38.000 -0.309 0.000 1.433 1230 I HN 0.144 nan 8.210 nan 0.000 0.573 1231 P HA 0.118 nan 4.420 nan 0.000 0.264 1231 P C -0.799 176.602 177.300 0.169 0.000 1.193 1231 P CA 0.187 63.312 63.100 0.042 0.000 0.763 1231 P CB 0.636 32.381 31.700 0.075 0.000 0.810 1232 A N 2.833 125.679 122.820 0.043 0.000 2.261 1232 A HA 0.452 4.772 4.320 -0.000 0.000 0.323 1232 A C 0.794 178.080 177.584 -0.497 0.000 1.107 1232 A CA -0.445 51.529 52.037 -0.105 0.000 0.883 1232 A CB -0.120 18.876 19.000 -0.006 0.000 1.251 1232 A HN 0.413 nan 8.150 nan 0.000 0.502 1233 F N 0.601 119.946 119.950 -1.008 0.000 2.115 1233 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 1233 F C 2.523 178.177 175.800 -0.243 0.000 1.092 1233 F CA 2.532 60.020 58.000 -0.854 0.000 1.245 1233 F CB -0.529 38.256 39.000 -0.359 0.000 0.995 1233 F HN 0.624 nan 8.300 nan 0.000 0.481 1234 G N -1.938 106.913 108.800 0.086 0.000 2.848 1234 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.208 1234 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.208 1234 G C 1.498 176.432 174.900 0.056 0.000 1.152 1234 G CA 0.719 45.887 45.100 0.114 0.000 0.789 1234 G HN 0.336 nan 8.290 nan 0.000 0.531 1235 S N 0.023 115.728 115.700 0.009 0.000 2.528 1235 S HA 0.163 4.633 4.470 -0.000 0.000 0.219 1235 S C 1.152 175.755 174.600 0.004 0.000 0.985 1235 S CA -0.316 57.878 58.200 -0.010 0.000 0.914 1235 S CB -0.124 63.073 63.200 -0.006 0.000 0.776 1235 S HN 0.620 nan 8.310 nan 0.000 0.526 1236 I N 0.561 121.148 120.570 0.028 0.000 2.823 1236 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 1236 I C -2.626 173.425 176.117 -0.110 0.000 1.091 1236 I CA -2.481 58.791 61.300 -0.045 0.000 1.365 1236 I CB 0.118 38.127 38.000 0.015 0.000 1.427 1236 I HN -0.183 nan 8.210 nan 0.000 0.583 1237 P HA 0.065 nan 4.420 nan 0.000 0.271 1237 P C 0.953 178.205 177.300 -0.079 0.000 1.226 1237 P CA -0.163 62.816 63.100 -0.201 0.000 0.765 1237 P CB 0.804 32.313 31.700 -0.318 0.000 0.835 1238 I N 2.107 122.681 120.570 0.008 0.000 2.065 1238 I HA -0.224 3.946 4.170 -0.000 0.000 0.236 1238 I C 1.231 177.402 176.117 0.090 0.000 1.028 1238 I CA 1.849 63.186 61.300 0.061 0.000 1.299 1238 I CB -1.443 36.586 38.000 0.048 0.000 1.015 1238 I HN 0.484 nan 8.210 nan 0.000 0.396 1239 E N 1.103 121.349 120.200 0.076 0.000 2.044 1239 E HA 0.109 4.459 4.350 -0.000 0.000 0.282 1239 E C -1.136 175.572 176.600 0.180 0.000 1.031 1239 E CA -0.276 56.191 56.400 0.111 0.000 0.824 1239 E CB 0.374 30.118 29.700 0.073 0.000 1.076 1239 E HN 0.046 nan 8.360 nan 0.000 0.395 1240 F N 5.022 124.980 119.950 0.014 0.000 2.325 1240 F HA 0.415 4.942 4.527 -0.000 0.000 0.369 1240 F C -0.655 175.128 175.800 -0.029 0.000 1.095 1240 F CA -1.262 56.725 58.000 -0.022 0.000 1.082 1240 F CB 0.739 39.739 39.000 0.001 0.000 1.289 1240 F HN 0.407 nan 8.300 nan 0.000 0.462 1241 R N 4.447 125.021 120.500 0.123 0.000 2.288 1241 R HA 0.633 4.973 4.340 -0.000 0.000 0.326 1241 R C -1.334 174.878 176.300 -0.147 0.000 0.959 1241 R CA -0.628 55.450 56.100 -0.036 0.000 0.834 1241 R CB 2.047 32.352 30.300 0.007 0.000 1.157 1241 R HN 0.294 nan 8.270 nan 0.000 0.470 1242 V N 2.314 122.097 119.914 -0.218 0.000 2.540 1242 V HA 0.493 4.612 4.120 -0.000 0.000 0.302 1242 V C -0.451 175.583 176.094 -0.101 0.000 1.035 1242 V CA -0.723 61.447 62.300 -0.217 0.000 0.873 1242 V CB 1.865 33.479 31.823 -0.349 0.000 0.992 1242 V HN 0.908 nan 8.190 nan 0.000 0.428 1243 S N 4.793 120.457 115.700 -0.059 0.000 2.547 1243 S HA 0.759 5.229 4.470 -0.000 0.000 0.281 1243 S C -1.064 173.541 174.600 0.008 0.000 1.118 1243 S CA -0.838 57.358 58.200 -0.007 0.000 0.947 1243 S CB 1.541 64.737 63.200 -0.006 0.000 1.053 1243 S HN 0.491 nan 8.310 nan 0.000 0.482 1244 L N 3.001 124.251 121.223 0.045 0.000 2.281 1244 L HA 0.385 4.725 4.340 -0.000 0.000 0.285 1244 L C -0.042 176.852 176.870 0.041 0.000 1.074 1244 L CA -1.042 53.825 54.840 0.045 0.000 0.817 1244 L CB 0.937 43.039 42.059 0.072 0.000 1.168 1244 L HN 0.662 nan 8.230 nan 0.000 0.434 1245 L N 5.235 126.476 121.223 0.031 0.000 2.601 1245 L HA -0.001 4.338 4.340 -0.000 0.000 0.277 1245 L C 0.547 177.429 176.870 0.021 0.000 1.219 1245 L CA 0.738 55.592 54.840 0.023 0.000 0.915 1245 L CB 0.003 42.078 42.059 0.027 0.000 1.160 1245 L HN 0.502 nan 8.230 nan 0.000 0.494 1246 R N 4.166 124.672 120.500 0.010 0.000 2.577 1246 R HA 0.193 4.533 4.340 -0.000 0.000 0.269 1246 R C -0.350 175.951 176.300 0.001 0.000 1.084 1246 R CA -0.542 55.561 56.100 0.004 0.000 1.163 1246 R CB 0.244 30.538 30.300 -0.010 0.000 1.100 1246 R HN 0.721 nan 8.270 nan 0.000 0.547 1247 D N 0.672 121.071 120.400 -0.001 0.000 3.091 1247 D HA -0.157 4.483 4.640 -0.000 0.000 0.215 1247 D C -0.250 176.049 176.300 -0.001 0.000 1.214 1247 D CA 0.932 54.930 54.000 -0.003 0.000 0.870 1247 D CB -0.847 39.949 40.800 -0.006 0.000 0.874 1247 D HN 0.770 nan 8.370 nan 0.000 0.393 1248 C N -0.649 118.651 119.300 0.000 0.000 3.104 1248 C HA 0.298 4.758 4.460 -0.000 0.000 0.206 1248 C C -2.342 172.643 174.990 -0.008 0.000 1.429 1248 C CA -1.611 57.407 59.018 0.001 0.000 1.105 1248 C CB 0.361 28.107 27.740 0.011 0.000 1.904 1248 C HN 0.233 nan 8.230 nan 0.000 0.626 1249 P HA 0.081 nan 4.420 nan 0.000 0.266 1249 P C -0.532 176.736 177.300 -0.053 0.000 1.195 1249 P CA 0.799 63.882 63.100 -0.028 0.000 0.768 1249 P CB 0.737 32.426 31.700 -0.018 0.000 0.838 1250 N N 2.345 120.989 118.700 -0.094 0.000 2.707 1250 N HA 0.061 4.801 4.740 -0.000 0.000 0.235 1250 N C 1.291 176.701 175.510 -0.166 0.000 1.028 1250 N CA -0.646 52.301 53.050 -0.172 0.000 0.906 1250 N CB 0.403 38.702 38.487 -0.314 0.000 1.131 1250 N HN 0.244 nan 8.380 nan 0.000 0.509 1251 K N 1.372 121.705 120.400 -0.111 0.000 2.362 1251 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 1251 K C 0.620 177.167 176.600 -0.089 0.000 1.045 1251 K CA 0.981 57.219 56.287 -0.082 0.000 0.936 1251 K CB 0.093 32.563 32.500 -0.049 0.000 0.747 1251 K HN 0.175 nan 8.250 nan 0.000 0.467 1252 K N 0.498 120.807 120.400 -0.152 0.000 2.487 1252 K HA 0.187 4.507 4.320 -0.000 0.000 0.192 1252 K C 0.286 176.905 176.600 0.033 0.000 1.027 1252 K CA 0.460 56.690 56.287 -0.096 0.000 1.054 1252 K CB 0.627 32.943 32.500 -0.307 0.000 0.824 1252 K HN 0.366 nan 8.250 nan 0.000 0.510 1253 A N 0.617 123.367 122.820 -0.118 0.000 2.566 1253 A HA 0.441 4.761 4.320 -0.000 0.000 0.292 1253 A C -0.818 176.657 177.584 -0.181 0.000 1.112 1253 A CA -0.943 51.036 52.037 -0.096 0.000 0.707 1253 A CB 0.912 19.856 19.000 -0.093 0.000 1.302 1253 A HN 0.114 nan 8.150 nan 0.000 0.409 1254 I N 1.252 121.669 120.570 -0.254 0.000 3.015 1254 I HA 0.057 4.227 4.170 -0.000 0.000 0.309 1254 I C -0.142 175.848 176.117 -0.213 0.000 1.229 1254 I CA 1.264 62.330 61.300 -0.391 0.000 1.430 1254 I CB -1.040 36.726 38.000 -0.390 0.000 1.347 1254 I HN 0.644 nan 8.210 nan 0.000 0.544 1255 Y N 5.282 125.484 120.300 -0.164 0.000 3.491 1255 Y HA -0.238 4.311 4.550 -0.000 0.000 0.215 1255 Y C 1.403 177.246 175.900 -0.094 0.000 1.219 1255 Y CA 1.031 59.066 58.100 -0.108 0.000 1.485 1255 Y CB -2.217 36.199 38.460 -0.074 0.000 1.450 1255 Y HN 1.037 nan 8.280 nan 0.000 0.603 1256 A N -1.798 121.022 122.820 -0.000 0.000 2.861 1256 A HA -0.228 4.092 4.320 -0.000 0.000 0.261 1256 A C 1.160 178.709 177.584 -0.058 0.000 1.351 1256 A CA 1.223 53.235 52.037 -0.042 0.000 0.904 1256 A CB -1.923 17.070 19.000 -0.011 0.000 1.076 1256 A HN 1.493 nan 8.150 nan 0.000 0.729 1257 S N -1.050 114.623 115.700 -0.046 0.000 2.661 1257 S HA 0.765 5.235 4.470 -0.000 0.000 0.265 1257 S C -0.020 174.521 174.600 -0.097 0.000 1.225 1257 S CA -0.109 58.065 58.200 -0.044 0.000 0.986 1257 S CB 1.405 64.601 63.200 -0.007 0.000 1.008 1257 S HN 0.552 nan 8.310 nan 0.000 0.565 1258 K N -0.604 119.773 120.400 -0.038 0.000 2.482 1258 K HA 0.665 4.985 4.320 -0.000 0.000 0.257 1258 K C -0.551 176.119 176.600 0.117 0.000 0.969 1258 K CA -0.908 55.398 56.287 0.032 0.000 0.842 1258 K CB 2.247 34.773 32.500 0.043 0.000 1.359 1258 K HN 0.818 nan 8.250 nan 0.000 0.441 1259 A N 0.589 123.547 122.820 0.230 0.000 2.406 1259 A HA 0.285 4.605 4.320 -0.000 0.000 0.243 1259 A C 0.475 178.068 177.584 0.015 0.000 1.082 1259 A CA -0.042 52.040 52.037 0.074 0.000 0.786 1259 A CB 0.727 19.734 19.000 0.011 0.000 1.029 1259 A HN 0.503 nan 8.150 nan 0.000 0.495 1260 V N 0.937 120.824 119.914 -0.044 0.000 3.523 1260 V HA 0.221 4.341 4.120 -0.000 0.000 0.273 1260 V C 1.530 177.570 176.094 -0.090 0.000 1.675 1260 V CA 1.267 63.531 62.300 -0.059 0.000 1.079 1260 V CB -0.349 31.453 31.823 -0.034 0.000 0.901 1260 V HN 1.200 nan 8.190 nan 0.000 0.406 1261 G N 0.568 109.306 108.800 -0.103 0.000 2.514 1261 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 1261 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 1261 G C 1.126 175.949 174.900 -0.129 0.000 1.198 1261 G CA 1.664 46.709 45.100 -0.092 0.000 0.780 1261 G HN 0.614 nan 8.290 nan 0.000 0.565 1262 E N 0.525 120.555 120.200 -0.283 0.000 2.079 1262 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 1262 E C -0.003 176.232 176.600 -0.608 0.000 0.961 1262 E CA 0.219 56.350 56.400 -0.449 0.000 0.823 1262 E CB -0.274 29.028 29.700 -0.662 0.000 0.789 1262 E HN 0.226 nan 8.360 nan 0.000 0.459 1263 P HA -0.229 nan 4.420 nan 0.000 0.225 1263 P C -1.646 175.593 177.300 -0.101 0.000 1.154 1263 P CA 2.437 65.247 63.100 -0.483 0.000 0.933 1263 P CB -0.943 30.623 31.700 -0.223 0.000 0.790 1264 P HA -0.132 nan 4.420 nan 0.000 0.217 1264 P C 1.684 179.082 177.300 0.162 0.000 1.150 1264 P CA 0.896 64.063 63.100 0.110 0.000 0.832 1264 P CB -0.508 31.256 31.700 0.108 0.000 0.787 1265 L N -1.497 119.773 121.223 0.078 0.000 2.064 1265 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 1265 L C 2.228 179.152 176.870 0.089 0.000 1.077 1265 L CA 1.783 56.651 54.840 0.047 0.000 0.766 1265 L CB -0.721 41.337 42.059 -0.001 0.000 0.890 1265 L HN -0.097 nan 8.230 nan 0.000 0.435 1266 F N -0.214 119.782 119.950 0.076 0.000 2.293 1266 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 1266 F C 1.889 177.804 175.800 0.192 0.000 1.086 1266 F CA 1.093 59.204 58.000 0.186 0.000 1.375 1266 F CB -0.245 38.856 39.000 0.169 0.000 1.045 1266 F HN -0.011 nan 8.300 nan 0.000 0.516 1267 L N 0.091 121.325 121.223 0.018 0.000 2.447 1267 L HA -0.193 4.147 4.340 -0.000 0.000 0.225 1267 L C 2.506 179.339 176.870 -0.061 0.000 1.148 1267 L CA 0.824 55.687 54.840 0.038 0.000 0.808 1267 L CB -1.067 41.201 42.059 0.349 0.000 0.928 1267 L HN 0.265 nan 8.230 nan 0.000 0.448 1268 A N -0.083 122.476 122.820 -0.435 0.000 2.209 1268 A HA 0.031 4.351 4.320 -0.000 0.000 0.212 1268 A C 2.469 179.909 177.584 -0.241 0.000 1.158 1268 A CA 1.093 52.653 52.037 -0.796 0.000 0.742 1268 A CB -0.359 18.152 19.000 -0.815 0.000 0.790 1268 A HN 0.381 nan 8.150 nan 0.000 0.472 1269 A N 0.574 123.153 122.820 -0.401 0.000 2.070 1269 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 1269 A C 2.385 179.901 177.584 -0.113 0.000 1.159 1269 A CA 1.872 53.540 52.037 -0.616 0.000 0.656 1269 A CB -0.795 17.535 19.000 -1.118 0.000 0.800 1269 A HN 0.938 nan 8.150 nan 0.000 0.453 1270 S N -0.108 115.576 115.700 -0.028 0.000 2.423 1270 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 1270 S C 1.760 176.441 174.600 0.135 0.000 1.014 1270 S CA 1.274 59.552 58.200 0.129 0.000 0.965 1270 S CB -0.598 62.693 63.200 0.152 0.000 0.785 1270 S HN 0.520 nan 8.310 nan 0.000 0.495 1271 I N 0.053 120.679 120.570 0.094 0.000 2.406 1271 I HA 0.003 4.173 4.170 -0.000 0.000 0.249 1271 I C 2.253 178.355 176.117 -0.024 0.000 1.122 1271 I CA 0.985 62.330 61.300 0.075 0.000 1.431 1271 I CB -0.325 37.736 38.000 0.102 0.000 1.087 1271 I HN 0.266 nan 8.210 nan 0.000 0.424 1272 F N 1.627 121.426 119.950 -0.252 0.000 2.102 1272 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 1272 F C 1.973 177.449 175.800 -0.541 0.000 1.105 1272 F CA 1.852 59.570 58.000 -0.469 0.000 1.239 1272 F CB -0.301 38.221 39.000 -0.796 0.000 0.991 1272 F HN -0.096 nan 8.300 nan 0.000 0.474 1273 F N -0.006 119.969 119.950 0.043 0.000 2.558 1273 F HA 0.133 4.660 4.527 -0.000 0.000 0.298 1273 F C 2.362 178.130 175.800 -0.053 0.000 1.119 1273 F CA 0.695 58.686 58.000 -0.014 0.000 1.451 1273 F CB -1.168 37.855 39.000 0.038 0.000 1.091 1273 F HN 0.059 nan 8.300 nan 0.000 0.563 1274 A N 0.318 123.179 122.820 0.069 0.000 1.897 1274 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 1274 A C 2.240 179.803 177.584 -0.035 0.000 1.181 1274 A CA 1.161 53.225 52.037 0.044 0.000 0.620 1274 A CB -0.866 18.164 19.000 0.051 0.000 0.821 1274 A HN 0.334 nan 8.150 nan 0.000 0.443 1275 I N -0.494 119.989 120.570 -0.145 0.000 2.179 1275 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 1275 I C 2.556 178.568 176.117 -0.175 0.000 1.088 1275 I CA 1.889 63.058 61.300 -0.219 0.000 1.357 1275 I CB -0.216 37.536 38.000 -0.414 0.000 1.051 1275 I HN 0.349 nan 8.210 nan 0.000 0.409 1276 K N 0.660 120.917 120.400 -0.238 0.000 2.147 1276 K HA -0.266 4.053 4.320 -0.000 0.000 0.205 1276 K C 1.700 178.355 176.600 0.092 0.000 1.049 1276 K CA 1.904 58.138 56.287 -0.088 0.000 0.936 1276 K CB -0.071 32.313 32.500 -0.192 0.000 0.722 1276 K HN 0.197 nan 8.250 nan 0.000 0.446 1277 D N -0.139 120.295 120.400 0.056 0.000 2.117 1277 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 1277 D C 1.646 177.985 176.300 0.065 0.000 0.987 1277 D CA 1.394 55.444 54.000 0.083 0.000 0.829 1277 D CB 0.014 40.856 40.800 0.070 0.000 0.961 1277 D HN 0.309 nan 8.370 nan 0.000 0.460 1278 A N 0.193 123.031 122.820 0.031 0.000 1.873 1278 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1278 A C 2.395 179.983 177.584 0.007 0.000 1.186 1278 A CA 1.107 53.157 52.037 0.021 0.000 0.616 1278 A CB -0.805 18.203 19.000 0.012 0.000 0.823 1278 A HN 0.353 nan 8.150 nan 0.000 0.442 1279 I N -1.103 119.475 120.570 0.013 0.000 2.335 1279 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 1279 I C 2.673 178.735 176.117 -0.092 0.000 1.129 1279 I CA 1.611 62.891 61.300 -0.034 0.000 1.402 1279 I CB -0.321 37.688 38.000 0.015 0.000 1.069 1279 I HN 0.304 nan 8.210 nan 0.000 0.424 1280 R N 1.204 121.749 120.500 0.076 0.000 2.080 1280 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 1280 R C 2.437 178.715 176.300 -0.037 0.000 1.137 1280 R CA 1.844 58.001 56.100 0.095 0.000 0.943 1280 R CB -0.462 29.961 30.300 0.206 0.000 0.846 1280 R HN 0.366 nan 8.270 nan 0.000 0.431 1281 A N 0.318 123.120 122.820 -0.030 0.000 1.865 1281 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 1281 A C 2.369 179.840 177.584 -0.188 0.000 1.191 1281 A CA 1.994 53.989 52.037 -0.071 0.000 0.623 1281 A CB -1.205 17.780 19.000 -0.024 0.000 0.826 1281 A HN 0.523 nan 8.150 nan 0.000 0.444 1282 A N -0.254 122.431 122.820 -0.224 0.000 1.865 1282 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 1282 A C 2.248 179.500 177.584 -0.552 0.000 1.191 1282 A CA 1.803 53.571 52.037 -0.448 0.000 0.623 1282 A CB -0.545 18.318 19.000 -0.227 0.000 0.826 1282 A HN 0.570 nan 8.150 nan 0.000 0.444 1283 R N -0.576 119.725 120.500 -0.333 0.000 2.083 1283 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 1283 R C 2.394 178.565 176.300 -0.216 0.000 1.137 1283 R CA 1.300 57.233 56.100 -0.277 0.000 0.951 1283 R CB -0.554 29.537 30.300 -0.349 0.000 0.851 1283 R HN 0.509 nan 8.270 nan 0.000 0.434 1284 A N 0.446 123.156 122.820 -0.183 0.000 2.131 1284 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 1284 A C 1.972 179.482 177.584 -0.125 0.000 1.158 1284 A CA 1.324 53.292 52.037 -0.115 0.000 0.665 1284 A CB -0.259 18.696 19.000 -0.074 0.000 0.795 1284 A HN 0.400 nan 8.150 nan 0.000 0.460 1285 Q N -1.727 117.940 119.800 -0.222 0.000 2.387 1285 Q HA 0.006 4.346 4.340 -0.000 0.000 0.212 1285 Q C 1.215 177.180 176.000 -0.059 0.000 0.925 1285 Q CA 0.394 56.093 55.803 -0.172 0.000 0.901 1285 Q CB 0.152 28.739 28.738 -0.252 0.000 1.020 1285 Q HN 0.915 nan 8.270 nan 0.000 0.545 1286 H N -0.989 118.000 119.070 -0.136 0.000 2.547 1286 H HA 0.126 4.682 4.556 -0.000 0.000 0.266 1286 H C -0.380 174.909 175.328 -0.064 0.000 0.988 1286 H CA 0.307 56.287 56.048 -0.112 0.000 1.147 1286 H CB 0.535 30.238 29.762 -0.100 0.000 1.365 1286 H HN -0.040 nan 8.280 nan 0.000 0.589 1287 T N 0.486 115.054 114.554 0.024 0.000 3.318 1287 T HA 0.253 4.603 4.350 -0.000 0.000 0.304 1287 T C 1.058 175.752 174.700 -0.011 0.000 1.051 1287 T CA -0.102 62.000 62.100 0.003 0.000 1.546 1287 T CB 0.908 69.768 68.868 -0.014 0.000 0.875 1287 T HN 0.611 nan 8.240 nan 0.000 0.578 1288 G N 3.785 112.583 108.800 -0.003 0.000 2.723 1288 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.356 1288 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.356 1288 G C 0.080 174.973 174.900 -0.011 0.000 1.164 1288 G CA 1.258 46.355 45.100 -0.004 0.000 0.939 1288 G HN 1.303 nan 8.290 nan 0.000 0.570 1289 N N -0.884 117.811 118.700 -0.009 0.000 3.856 1289 N HA 0.377 5.117 4.740 -0.000 0.000 0.237 1289 N C -1.264 174.250 175.510 0.006 0.000 1.351 1289 N CA 0.156 53.201 53.050 -0.008 0.000 0.805 1289 N CB 0.971 39.455 38.487 -0.005 0.000 1.487 1289 N HN 1.350 nan 8.380 nan 0.000 0.431 1290 N N -0.666 118.043 118.700 0.016 0.000 4.121 1290 N HA 0.005 4.745 4.740 -0.000 0.000 0.134 1290 N C -0.585 174.955 175.510 0.050 0.000 1.370 1290 N CA -0.096 52.974 53.050 0.034 0.000 1.272 1290 N CB -0.075 38.435 38.487 0.040 0.000 1.726 1290 N HN 0.428 nan 8.380 nan 0.000 0.750 1291 V N 1.704 121.645 119.914 0.046 0.000 2.982 1291 V HA -0.102 4.018 4.120 -0.000 0.000 0.265 1291 V C 1.463 177.601 176.094 0.074 0.000 1.122 1291 V CA 1.553 63.886 62.300 0.056 0.000 1.143 1291 V CB -0.205 31.645 31.823 0.045 0.000 0.726 1291 V HN 0.441 nan 8.190 nan 0.000 0.507 1292 K N 0.059 120.505 120.400 0.077 0.000 2.353 1292 K HA 0.140 4.460 4.320 -0.000 0.000 0.195 1292 K C 0.783 177.448 176.600 0.108 0.000 1.031 1292 K CA -0.159 56.181 56.287 0.088 0.000 1.079 1292 K CB 0.113 32.662 32.500 0.081 0.000 0.857 1292 K HN 0.670 nan 8.250 nan 0.000 0.535 1293 E N 1.582 121.853 120.200 0.119 0.000 2.653 1293 E HA -0.115 4.235 4.350 -0.000 0.000 0.264 1293 E C -0.781 175.942 176.600 0.204 0.000 0.949 1293 E CA 0.393 56.888 56.400 0.157 0.000 0.953 1293 E CB 0.315 30.114 29.700 0.166 0.000 0.925 1293 E HN 0.080 nan 8.360 nan 0.000 0.475 1294 L N 7.316 128.652 121.223 0.188 0.000 2.445 1294 L HA 0.289 4.629 4.340 -0.000 0.000 0.252 1294 L C -0.464 176.500 176.870 0.158 0.000 1.105 1294 L CA -0.963 53.959 54.840 0.136 0.000 0.943 1294 L CB -0.157 41.971 42.059 0.115 0.000 1.277 1294 L HN 0.445 nan 8.230 nan 0.000 0.465 1295 F N -0.145 119.852 119.950 0.077 0.000 2.380 1295 F HA 0.595 5.122 4.527 -0.000 0.000 0.325 1295 F C 0.387 176.244 175.800 0.094 0.000 1.136 1295 F CA -1.131 56.911 58.000 0.070 0.000 1.171 1295 F CB 0.442 39.469 39.000 0.045 0.000 1.230 1295 F HN 0.212 nan 8.300 nan 0.000 0.554 1296 R N 2.352 122.956 120.500 0.173 0.000 2.368 1296 R HA 0.656 4.996 4.340 -0.000 0.000 0.302 1296 R C -1.903 174.487 176.300 0.150 0.000 1.002 1296 R CA -0.869 55.292 56.100 0.101 0.000 0.929 1296 R CB 1.161 31.541 30.300 0.133 0.000 1.073 1296 R HN 0.873 nan 8.270 nan 0.000 0.464 1297 L N 4.417 125.697 121.223 0.096 0.000 2.446 1297 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 1297 L C -1.473 175.537 176.870 0.234 0.000 0.975 1297 L CA -0.434 54.476 54.840 0.116 0.000 0.848 1297 L CB 1.615 43.652 42.059 -0.038 0.000 1.225 1297 L HN 0.685 nan 8.230 nan 0.000 0.410 1298 D N 1.713 122.255 120.400 0.236 0.000 2.387 1298 D HA 0.323 4.963 4.640 -0.000 0.000 0.251 1298 D C -0.515 176.001 176.300 0.360 0.000 1.141 1298 D CA -0.061 54.119 54.000 0.299 0.000 0.987 1298 D CB 1.871 42.849 40.800 0.297 0.000 1.116 1298 D HN 0.464 nan 8.370 nan 0.000 0.491 1299 S N 0.255 116.132 115.700 0.296 0.000 2.525 1299 S HA 0.500 4.970 4.470 -0.000 0.000 0.290 1299 S C -2.592 172.133 174.600 0.208 0.000 1.152 1299 S CA -1.490 56.881 58.200 0.285 0.000 1.072 1299 S CB 1.183 64.428 63.200 0.075 0.000 1.027 1299 S HN 0.170 nan 8.310 nan 0.000 0.500 1300 P HA 0.249 nan 4.420 nan 0.000 0.277 1300 P C -1.287 176.119 177.300 0.178 0.000 1.240 1300 P CA -0.504 62.712 63.100 0.194 0.000 0.798 1300 P CB 0.792 32.543 31.700 0.085 0.000 0.979 1301 A N 2.270 125.187 122.820 0.163 0.000 3.004 1301 A HA 0.366 4.686 4.320 -0.000 0.000 0.286 1301 A C 0.973 178.507 177.584 -0.084 0.000 1.632 1301 A CA -0.248 51.761 52.037 -0.046 0.000 1.339 1301 A CB -1.357 17.441 19.000 -0.336 0.000 1.136 1301 A HN 0.597 nan 8.150 nan 0.000 0.577 1302 T N -0.876 113.648 114.554 -0.051 0.000 2.788 1302 T HA 0.347 4.697 4.350 -0.000 0.000 0.287 1302 T C -1.368 173.249 174.700 -0.138 0.000 1.007 1302 T CA -1.278 60.783 62.100 -0.064 0.000 1.005 1302 T CB 0.597 69.441 68.868 -0.040 0.000 1.012 1302 T HN 0.250 nan 8.240 nan 0.000 0.530 1303 P HA -0.155 nan 4.420 nan 0.000 0.219 1303 P C 1.306 178.244 177.300 -0.603 0.000 1.146 1303 P CA 1.214 64.226 63.100 -0.146 0.000 0.808 1303 P CB 0.127 31.863 31.700 0.060 0.000 0.779 1304 E N 1.069 120.694 120.200 -0.960 0.000 2.028 1304 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 1304 E C 1.917 178.080 176.600 -0.728 0.000 0.988 1304 E CA 1.203 56.590 56.400 -1.689 0.000 0.799 1304 E CB -0.175 28.968 29.700 -0.927 0.000 0.755 1304 E HN 0.149 nan 8.360 nan 0.000 0.447 1305 K N 0.245 120.428 120.400 -0.361 0.000 2.097 1305 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 1305 K C 2.283 178.798 176.600 -0.141 0.000 1.049 1305 K CA 1.383 57.568 56.287 -0.170 0.000 0.933 1305 K CB -0.154 32.299 32.500 -0.079 0.000 0.717 1305 K HN 0.300 nan 8.250 nan 0.000 0.442 1306 I N 0.524 120.992 120.570 -0.170 0.000 2.315 1306 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 1306 I C 2.585 178.673 176.117 -0.048 0.000 1.117 1306 I CA 0.851 62.087 61.300 -0.107 0.000 1.404 1306 I CB -0.133 37.802 38.000 -0.109 0.000 1.071 1306 I HN 0.057 nan 8.210 nan 0.000 0.419 1307 R N 1.597 122.065 120.500 -0.053 0.000 2.062 1307 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 1307 R C 1.961 178.307 176.300 0.076 0.000 1.128 1307 R CA 1.548 57.699 56.100 0.086 0.000 0.960 1307 R CB -0.448 30.041 30.300 0.316 0.000 0.855 1307 R HN 0.252 nan 8.270 nan 0.000 0.432 1308 N N 0.405 119.117 118.700 0.019 0.000 2.223 1308 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 1308 N C 1.375 176.893 175.510 0.013 0.000 1.016 1308 N CA 1.440 54.511 53.050 0.035 0.000 0.863 1308 N CB -0.317 38.176 38.487 0.010 0.000 0.983 1308 N HN 0.354 nan 8.380 nan 0.000 0.429 1309 A N 0.093 122.905 122.820 -0.014 0.000 1.969 1309 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 1309 A C 1.251 178.773 177.584 -0.104 0.000 1.169 1309 A CA 0.486 52.491 52.037 -0.054 0.000 0.635 1309 A CB -0.396 18.587 19.000 -0.028 0.000 0.810 1309 A HN 0.356 nan 8.150 nan 0.000 0.445 1310 C N 1.921 121.207 119.300 -0.023 0.000 2.756 1310 C HA 0.399 4.859 4.460 -0.000 0.000 0.504 1310 C C 0.591 175.642 174.990 0.102 0.000 1.028 1310 C CA -1.019 58.018 59.018 0.031 0.000 1.167 1310 C CB -2.237 25.576 27.740 0.123 0.000 1.444 1310 C HN 0.298 nan 8.230 nan 0.000 0.577 1311 V N 4.471 124.405 119.914 0.033 0.000 2.529 1311 V HA 0.225 4.345 4.120 -0.000 0.000 0.292 1311 V C 0.246 176.415 176.094 0.125 0.000 1.028 1311 V CA 0.736 63.071 62.300 0.059 0.000 1.074 1311 V CB 0.430 32.254 31.823 0.001 0.000 0.958 1311 V HN 0.866 nan 8.190 nan 0.000 0.481 1312 D N 2.928 123.408 120.400 0.134 0.000 2.812 1312 D HA 0.293 4.933 4.640 -0.000 0.000 0.318 1312 D C 0.590 176.858 176.300 -0.054 0.000 1.234 1312 D CA -0.768 53.300 54.000 0.114 0.000 0.989 1312 D CB 0.753 41.719 40.800 0.276 0.000 1.442 1312 D HN 0.341 nan 8.370 nan 0.000 0.537 1313 K N -0.607 119.635 120.400 -0.264 0.000 2.442 1313 K HA -0.030 4.290 4.320 -0.000 0.000 0.198 1313 K C 0.802 177.093 176.600 -0.514 0.000 1.044 1313 K CA 1.072 57.101 56.287 -0.431 0.000 0.948 1313 K CB -0.471 31.679 32.500 -0.583 0.000 0.762 1313 K HN 0.237 nan 8.250 nan 0.000 0.472 1314 F N 2.339 122.213 119.950 -0.126 0.000 2.188 1314 F HA -0.045 4.482 4.527 -0.000 0.000 0.289 1314 F C 2.890 178.638 175.800 -0.087 0.000 1.082 1314 F CA 1.294 59.209 58.000 -0.142 0.000 1.282 1314 F CB -1.075 37.808 39.000 -0.196 0.000 1.060 1314 F HN 0.108 nan 8.300 nan 0.000 0.493 1315 T N -3.076 111.561 114.554 0.138 0.000 2.881 1315 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 1315 T C 1.843 176.563 174.700 0.033 0.000 1.068 1315 T CA 1.780 63.926 62.100 0.076 0.000 1.131 1315 T CB -1.144 67.774 68.868 0.083 0.000 0.871 1315 T HN 0.177 nan 8.240 nan 0.000 0.479 1316 T N 2.382 116.938 114.554 0.004 0.000 2.759 1316 T HA 0.035 4.385 4.350 -0.000 0.000 0.269 1316 T C 1.583 176.274 174.700 -0.015 0.000 1.042 1316 T CA 0.938 63.027 62.100 -0.018 0.000 1.140 1316 T CB -0.276 68.561 68.868 -0.053 0.000 0.864 1316 T HN 0.248 nan 8.240 nan 0.000 0.455 1317 L N 0.284 121.496 121.223 -0.017 0.000 2.492 1317 L HA 0.161 4.501 4.340 -0.000 0.000 0.223 1317 L C 0.468 177.347 176.870 0.015 0.000 1.132 1317 L CA 0.585 55.418 54.840 -0.011 0.000 0.850 1317 L CB -0.711 41.334 42.059 -0.022 0.000 0.966 1317 L HN 0.317 nan 8.230 nan 0.000 0.454 1318 C N 0.608 119.919 119.300 0.018 0.000 2.317 1318 C HA 0.596 5.056 4.460 -0.000 0.000 0.306 1318 C C 0.424 175.430 174.990 0.026 0.000 1.087 1318 C CA -0.967 58.062 59.018 0.019 0.000 1.529 1318 C CB 0.877 28.610 27.740 -0.012 0.000 1.880 1318 C HN 0.115 nan 8.230 nan 0.000 0.417 1319 V N 3.492 123.433 119.914 0.046 0.000 2.735 1319 V HA 0.407 4.527 4.120 -0.000 0.000 0.276 1319 V C -0.265 175.874 176.094 0.076 0.000 1.083 1319 V CA 0.252 62.578 62.300 0.044 0.000 0.923 1319 V CB 1.620 33.463 31.823 0.034 0.000 1.053 1319 V HN 0.732 nan 8.190 nan 0.000 0.471 1320 T N 4.642 119.241 114.554 0.074 0.000 2.910 1320 T HA 0.509 4.859 4.350 -0.000 0.000 0.293 1320 T C 1.349 176.094 174.700 0.075 0.000 1.015 1320 T CA 0.755 62.928 62.100 0.122 0.000 1.094 1320 T CB 1.391 70.293 68.868 0.057 0.000 0.968 1320 T HN 1.130 nan 8.240 nan 0.000 0.521 1321 G N 1.972 110.817 108.800 0.076 0.000 2.484 1321 G HA2 0.065 4.025 3.960 -0.000 0.000 0.215 1321 G HA3 0.065 4.025 3.960 -0.000 0.000 0.215 1321 G C 0.390 175.311 174.900 0.036 0.000 1.219 1321 G CA 0.826 45.953 45.100 0.045 0.000 0.791 1321 G HN 1.254 nan 8.290 nan 0.000 0.550 1322 V N 0.894 120.831 119.914 0.039 0.000 4.917 1322 V HA -0.119 4.001 4.120 -0.000 0.000 0.379 1322 V C -1.752 174.356 176.094 0.024 0.000 0.605 1322 V CA -0.602 61.717 62.300 0.032 0.000 1.533 1322 V CB -2.246 29.594 31.823 0.029 0.000 1.860 1322 V HN 0.466 nan 8.190 nan 0.000 0.494 1323 P HA 0.192 nan 4.420 nan 0.000 0.278 1323 P C 1.112 178.420 177.300 0.014 0.000 1.270 1323 P CA 0.026 63.136 63.100 0.016 0.000 0.800 1323 P CB 0.668 32.378 31.700 0.017 0.000 1.142 1324 E N 0.580 120.786 120.200 0.010 0.000 2.016 1324 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 1324 E C 1.322 177.927 176.600 0.009 0.000 0.985 1324 E CA 1.826 58.231 56.400 0.007 0.000 0.802 1324 E CB -1.003 28.699 29.700 0.004 0.000 0.762 1324 E HN 0.510 nan 8.360 nan 0.000 0.448 1325 N N -0.274 118.431 118.700 0.009 0.000 2.635 1325 N HA -0.112 4.628 4.740 -0.000 0.000 0.191 1325 N C 0.086 175.605 175.510 0.016 0.000 1.155 1325 N CA 0.522 53.578 53.050 0.011 0.000 0.927 1325 N CB -0.887 37.606 38.487 0.010 0.000 0.976 1325 N HN 0.135 nan 8.380 nan 0.000 0.448 1326 C N 1.564 120.875 119.300 0.019 0.000 2.648 1326 C HA 0.158 4.618 4.460 -0.000 0.000 0.415 1326 C C 0.476 175.484 174.990 0.031 0.000 1.366 1326 C CA -0.823 58.211 59.018 0.027 0.000 1.756 1326 C CB -0.685 27.074 27.740 0.031 0.000 2.549 1326 C HN 0.325 nan 8.230 nan 0.000 0.597 1327 K N 8.927 129.349 120.400 0.038 0.000 2.300 1327 K HA 0.376 4.696 4.320 -0.000 0.000 0.264 1327 K C -2.125 174.516 176.600 0.068 0.000 1.083 1327 K CA -1.431 54.883 56.287 0.044 0.000 0.958 1327 K CB 0.917 33.441 32.500 0.040 0.000 1.318 1327 K HN 0.640 nan 8.250 nan 0.000 0.448 1328 P HA -0.011 nan 4.420 nan 0.000 0.272 1328 P C 0.594 177.994 177.300 0.166 0.000 1.230 1328 P CA -0.404 62.766 63.100 0.116 0.000 0.788 1328 P CB 0.615 32.375 31.700 0.099 0.000 0.949 1329 W N 2.895 124.209 121.300 0.023 0.000 2.342 1329 W HA -0.106 4.554 4.660 -0.000 0.000 0.297 1329 W C 0.419 177.014 176.519 0.127 0.000 1.213 1329 W CA 1.927 59.285 57.345 0.022 0.000 1.251 1329 W CB -0.115 29.302 29.460 -0.072 0.000 1.136 1329 W HN 0.520 nan 8.180 nan 0.000 0.526 1330 S N -1.016 114.746 115.700 0.104 0.000 2.579 1330 S HA 0.603 5.073 4.470 -0.000 0.000 0.272 1330 S C -1.314 173.351 174.600 0.108 0.000 1.141 1330 S CA -0.782 57.429 58.200 0.019 0.000 0.843 1330 S CB 1.925 65.142 63.200 0.029 0.000 1.122 1330 S HN 0.221 nan 8.310 nan 0.000 0.468 1331 V N 1.303 121.271 119.914 0.090 0.000 2.876 1331 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 1331 V C -0.272 175.860 176.094 0.063 0.000 1.085 1331 V CA -1.153 61.184 62.300 0.062 0.000 0.945 1331 V CB 1.956 33.791 31.823 0.019 0.000 1.017 1331 V HN 1.136 nan 8.190 nan 0.000 0.428 1332 R N 3.785 124.283 120.500 -0.004 0.000 2.489 1332 R HA 0.444 4.784 4.340 -0.000 0.000 0.287 1332 R C -0.485 175.766 176.300 -0.081 0.000 1.053 1332 R CA -0.111 55.939 56.100 -0.083 0.000 1.036 1332 R CB 0.993 31.116 30.300 -0.296 0.000 0.966 1332 R HN 0.690 nan 8.270 nan 0.000 0.432 1333 V N 0.000 119.910 119.914 -0.007 0.000 2.409 1333 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1333 V CA 0.000 62.279 62.300 -0.036 0.000 1.235 1333 V CB 0.000 31.722 31.823 -0.168 0.000 1.184 1333 V HN 0.000 nan 8.190 nan 0.000 0.556