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 1n5x_1_A DATA FIRST_RESID 3 DATA SEQUENCE ADELVFFVNG KKVVEKNADP ETTLLAYLRR KLGLRGTKLG CGEGGCGACT DATA SEQUENCE VMLSKYDRLQ DKIIHFSANA CLAPICTLHH VAVTTVEGIG STKTRLHPVQ DATA SEQUENCE ERIAKSHGSQ CGFCTPGIVM SMYTLLRNQP EPTVEEIEDA FQGNLCRCTG DATA SEQUENCE YRPILQGFRT FAKXXXXXXX XXXXXXXXXX XXXXXXXXXS PSLFNPEEFM DATA SEQUENCE PLDPTQEPIF PPELLRLKDV PPKQLRFEGE RVTWIQASTL KELLDLKAQH DATA SEQUENCE PEAKLVVGNT EIGIEMKFKN QLFPMIICPA WIPELNAVEH GPEGISFGAA DATA SEQUENCE CALSSVEKTL LEAVAKLPTQ KTEVFRGVLE QLRWFAGKQV KSVASLGGNI DATA SEQUENCE ITASPISDLN PVFMASGTKL TIVSRGTRRT VPMDHTFFPS YRKTLLGPEE DATA SEQUENCE ILLSIEIPYS REDEFFSAFK QASRREDDIA KVTCGMRVLF QPGSMQVKEL DATA SEQUENCE ALCYGGMADR TISALKTTQK QLSKFWNEKL LQDVCAGLAE ELSLSPDAPG DATA SEQUENCE GMIEFRRTLT LSFFFKFYLT VLKKLGKDSX XXXXKLDPTY TSATLLFQKH DATA SEQUENCE PPANIQLFQE VPNGQSKEDT VGRPLPHLAA AMQASGEAVY CDDIPRYENE DATA SEQUENCE LFLRLVTSTR AHAKIKSIDV SEAQKVPGFV CFLSADDIPG SNETGLFNDE DATA SEQUENCE TVFAKDTVTC VGHIIGAVVA DTPEHAERAA HVVKVTYEDL PAIITIEDAI DATA SEQUENCE KNNSFYGSEL KIEKGDLKKG FSEADNVVSG ELYIGGQDHF YLETHCTIAI DATA SEQUENCE PKGEEGEMEL FVSTQNAMKT QSFVAKMLGV PVNRILVRVK RMGGGFGGKE DATA SEQUENCE TRSTLVSVAV ALAAYKTGHP VRCMLDRNED MLITGGRHPF LARYKVGFMK DATA SEQUENCE TGTIVALEVD HYSNAGNSRD LSHSIMERAL FHMDNCYKIP NIRGTGRLCK DATA SEQUENCE TNLSSNTAFR GFGGPQALFI AENWMSEVAV TCGLPAEEVR WKNMYKEGDL DATA SEQUENCE THFNQRLEGF SVPRCWDECL KSSQYYARKS EVDKFNKENC WKKRGLCIIP DATA SEQUENCE TKFGISFTVP FLNQAGALIH VYTDGSVLVS HGGTEMGQGL HTKMVQVASK DATA SEQUENCE ALKIPISKIY ISETSTNTVP NSSPTAASVS TDIYGQAVYE ACQTILKRLE DATA SEQUENCE PFKKKNPDGS WEDWVMAAYQ DRVSLSTTGF YRTPNLGYSF ETNSGNAFHY DATA SEQUENCE FTYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTLEELH YSPEGSLHTR GPSTYKIPAF GSIPTEFRVS LLRDCPNKKA DATA SEQUENCE IYASKAVGEP PLFLGASVFF AIKDAIRAAR AQHTNNNTKE LFRLDSPATP DATA SEQUENCE EKIRNACVDK FTTLXXXXXX XXXKPWSLRV 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 0.000 177.542 177.584 -0.070 0.000 1.274 3 A CA 0.000 51.955 52.037 -0.137 0.000 0.836 3 A CB 0.000 18.912 19.000 -0.147 0.000 0.831 4 D N -0.589 119.757 120.400 -0.090 0.000 4.013 4 D HA -0.219 4.421 4.640 -0.000 0.000 0.235 4 D C 0.530 176.989 176.300 0.264 0.000 1.615 4 D CA 2.523 56.584 54.000 0.101 0.000 2.142 4 D CB -0.533 40.314 40.800 0.079 0.000 1.250 4 D HN 0.726 nan 8.370 nan 0.000 0.570 5 E N 0.088 120.416 120.200 0.213 0.000 2.180 5 E HA 0.292 4.642 4.350 -0.000 0.000 0.283 5 E C -0.595 176.245 176.600 0.401 0.000 1.061 5 E CA -0.487 56.065 56.400 0.255 0.000 0.861 5 E CB 0.563 30.375 29.700 0.187 0.000 1.056 5 E HN 0.111 nan 8.360 nan 0.000 0.407 6 L N 5.952 127.385 121.223 0.350 0.000 2.265 6 L HA 0.326 4.666 4.340 -0.000 0.000 0.288 6 L C -1.383 175.675 176.870 0.313 0.000 1.058 6 L CA -0.443 54.627 54.840 0.382 0.000 0.809 6 L CB 1.302 43.346 42.059 -0.026 0.000 1.179 6 L HN 0.266 nan 8.230 nan 0.000 0.429 7 V N 7.298 127.444 119.914 0.386 0.000 2.407 7 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 7 V C -0.358 175.806 176.094 0.116 0.000 1.018 7 V CA -0.436 61.914 62.300 0.085 0.000 0.842 7 V CB 0.817 32.676 31.823 0.061 0.000 0.996 7 V HN 0.715 nan 8.190 nan 0.000 0.426 8 F N 2.805 122.684 119.950 -0.118 0.000 2.715 8 F HA 0.912 5.439 4.527 -0.000 0.000 0.318 8 F C -1.767 173.942 175.800 -0.152 0.000 1.141 8 F CA -1.499 56.498 58.000 -0.005 0.000 0.950 8 F CB 1.493 40.509 39.000 0.026 0.000 1.374 8 F HN 0.223 nan 8.300 nan 0.000 0.477 9 F N 0.887 120.901 119.950 0.106 0.000 2.522 9 F HA 0.744 5.271 4.527 -0.000 0.000 0.324 9 F C -0.603 175.270 175.800 0.121 0.000 1.077 9 F CA -1.363 56.618 58.000 -0.032 0.000 0.944 9 F CB 2.240 41.183 39.000 -0.094 0.000 1.175 9 F HN 0.367 nan 8.300 nan 0.000 0.468 10 V N 3.095 123.121 119.914 0.185 0.000 2.447 10 V HA 0.301 4.421 4.120 -0.000 0.000 0.292 10 V C -0.586 175.570 176.094 0.103 0.000 1.021 10 V CA -1.244 61.164 62.300 0.180 0.000 0.850 10 V CB 1.215 33.144 31.823 0.177 0.000 1.005 10 V HN 0.833 nan 8.190 nan 0.000 0.426 11 N N 4.223 122.977 118.700 0.089 0.000 2.740 11 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 11 N C 1.195 176.734 175.510 0.048 0.000 1.062 11 N CA 1.622 54.698 53.050 0.044 0.000 0.704 11 N CB -1.085 37.410 38.487 0.015 0.000 0.968 11 N HN 1.496 nan 8.380 nan 0.000 0.547 12 G N -0.732 108.115 108.800 0.077 0.000 2.363 12 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.238 12 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.238 12 G C 0.083 175.087 174.900 0.173 0.000 1.062 12 G CA 0.821 45.966 45.100 0.075 0.000 0.629 12 G HN 0.665 nan 8.290 nan 0.000 0.514 13 K N 1.599 122.061 120.400 0.103 0.000 2.322 13 K HA 0.432 4.752 4.320 -0.000 0.000 0.283 13 K C 0.446 176.979 176.600 -0.111 0.000 1.042 13 K CA -0.443 55.859 56.287 0.025 0.000 0.958 13 K CB 0.483 32.959 32.500 -0.039 0.000 0.984 13 K HN 0.289 nan 8.250 nan 0.000 0.473 14 K N 3.638 123.832 120.400 -0.343 0.000 2.322 14 K HA 0.142 4.462 4.320 -0.000 0.000 0.283 14 K C -1.149 175.043 176.600 -0.680 0.000 1.042 14 K CA -0.569 55.101 56.287 -1.028 0.000 0.958 14 K CB 0.901 32.788 32.500 -1.021 0.000 0.984 14 K HN 0.321 nan 8.250 nan 0.000 0.473 15 V N 4.750 124.174 119.914 -0.816 0.000 2.459 15 V HA 0.318 4.438 4.120 -0.000 0.000 0.295 15 V C -0.646 175.125 176.094 -0.538 0.000 1.029 15 V CA -0.894 61.012 62.300 -0.656 0.000 0.874 15 V CB 1.786 33.012 31.823 -0.995 0.000 0.985 15 V HN 0.554 nan 8.190 nan 0.000 0.438 16 V N 3.566 123.301 119.914 -0.299 0.000 2.340 16 V HA 0.384 4.504 4.120 -0.000 0.000 0.277 16 V C -0.333 175.724 176.094 -0.063 0.000 1.017 16 V CA -0.591 61.614 62.300 -0.157 0.000 0.820 16 V CB 1.412 33.170 31.823 -0.108 0.000 1.028 16 V HN 0.936 nan 8.190 nan 0.000 0.436 17 E N 3.777 123.966 120.200 -0.019 0.000 2.081 17 E HA 0.343 4.693 4.350 -0.000 0.000 0.281 17 E C 0.660 177.297 176.600 0.062 0.000 0.986 17 E CA -0.136 56.293 56.400 0.049 0.000 0.796 17 E CB 1.228 30.962 29.700 0.057 0.000 1.085 17 E HN 0.510 nan 8.360 nan 0.000 0.398 18 K N 3.256 123.695 120.400 0.065 0.000 2.459 18 K HA 0.159 4.479 4.320 -0.000 0.000 0.193 18 K C -0.068 176.587 176.600 0.091 0.000 1.030 18 K CA 0.255 56.590 56.287 0.081 0.000 1.026 18 K CB 0.334 32.871 32.500 0.061 0.000 0.809 18 K HN 0.368 nan 8.250 nan 0.000 0.504 19 N N 0.929 119.675 118.700 0.076 0.000 2.646 19 N HA 0.126 4.866 4.740 -0.000 0.000 0.303 19 N C -1.235 174.299 175.510 0.040 0.000 1.921 19 N CA -0.103 52.991 53.050 0.074 0.000 0.872 19 N CB 1.466 39.994 38.487 0.067 0.000 1.327 19 N HN 0.019 nan 8.380 nan 0.000 0.492 20 A N 0.777 123.582 122.820 -0.026 0.000 2.548 20 A HA 0.021 4.341 4.320 -0.000 0.000 0.247 20 A C 0.273 177.784 177.584 -0.123 0.000 1.067 20 A CA 0.426 52.349 52.037 -0.189 0.000 0.757 20 A CB 0.305 18.962 19.000 -0.573 0.000 0.996 20 A HN 0.265 nan 8.150 nan 0.000 0.504 21 D N 3.433 123.773 120.400 -0.100 0.000 2.280 21 D HA 0.331 4.971 4.640 -0.000 0.000 0.236 21 D C -1.848 174.406 176.300 -0.076 0.000 1.082 21 D CA -1.854 52.127 54.000 -0.031 0.000 0.834 21 D CB 1.590 42.393 40.800 0.005 0.000 1.100 21 D HN 0.130 nan 8.370 nan 0.000 0.486 22 P HA -0.149 nan 4.420 nan 0.000 0.218 22 P C 0.425 177.773 177.300 0.080 0.000 1.146 22 P CA 1.197 64.343 63.100 0.077 0.000 0.820 22 P CB 0.298 32.209 31.700 0.352 0.000 0.778 23 E N -1.849 118.389 120.200 0.062 0.000 2.502 23 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 23 E C 0.040 176.641 176.600 0.001 0.000 1.062 23 E CA 0.294 56.726 56.400 0.052 0.000 0.867 23 E CB -0.275 29.451 29.700 0.044 0.000 0.888 23 E HN 0.230 nan 8.360 nan 0.000 0.510 24 T N 1.966 116.493 114.554 -0.046 0.000 2.780 24 T HA 0.133 4.483 4.350 -0.000 0.000 0.294 24 T C 0.346 174.998 174.700 -0.080 0.000 0.949 24 T CA -0.364 61.704 62.100 -0.052 0.000 1.074 24 T CB 1.152 69.992 68.868 -0.047 0.000 0.910 24 T HN 0.125 nan 8.240 nan 0.000 0.501 25 T N 1.333 115.868 114.554 -0.032 0.000 2.918 25 T HA 0.364 4.713 4.350 -0.000 0.000 0.283 25 T C 1.309 175.994 174.700 -0.025 0.000 1.001 25 T CA -0.996 61.086 62.100 -0.031 0.000 1.041 25 T CB 0.848 69.722 68.868 0.011 0.000 1.028 25 T HN 0.246 nan 8.240 nan 0.000 0.511 26 L N 1.359 122.551 121.223 -0.052 0.000 2.083 26 L HA 0.087 4.427 4.340 -0.000 0.000 0.209 26 L C 2.150 179.055 176.870 0.059 0.000 1.083 26 L CA 1.500 56.320 54.840 -0.033 0.000 0.752 26 L CB -1.410 40.598 42.059 -0.085 0.000 0.899 26 L HN 0.776 nan 8.230 nan 0.000 0.433 27 L N 0.003 121.253 121.223 0.044 0.000 2.042 27 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 27 L C 2.451 179.355 176.870 0.058 0.000 1.076 27 L CA 2.202 57.073 54.840 0.051 0.000 0.749 27 L CB -1.103 40.986 42.059 0.049 0.000 0.893 27 L HN 0.298 nan 8.230 nan 0.000 0.432 28 A N -1.890 120.966 122.820 0.059 0.000 1.897 28 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 28 A C 2.253 179.882 177.584 0.075 0.000 1.181 28 A CA 1.475 53.539 52.037 0.046 0.000 0.620 28 A CB -1.067 17.947 19.000 0.023 0.000 0.821 28 A HN 0.567 nan 8.150 nan 0.000 0.443 29 Y N 0.527 120.818 120.300 -0.015 0.000 2.114 29 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 29 Y C 2.076 177.992 175.900 0.026 0.000 1.143 29 Y CA 1.904 60.010 58.100 0.010 0.000 1.135 29 Y CB -0.312 38.169 38.460 0.034 0.000 0.980 29 Y HN 0.218 nan 8.280 nan 0.000 0.499 30 L N -0.513 120.811 121.223 0.169 0.000 2.079 30 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 30 L C 2.481 179.350 176.870 -0.001 0.000 1.081 30 L CA 1.633 56.523 54.840 0.084 0.000 0.752 30 L CB -0.430 41.681 42.059 0.087 0.000 0.896 30 L HN 0.189 nan 8.230 nan 0.000 0.433 31 R N -0.960 119.540 120.500 0.000 0.000 2.057 31 R HA 0.012 4.352 4.340 -0.000 0.000 0.224 31 R C 2.493 178.770 176.300 -0.038 0.000 1.136 31 R CA 0.535 56.628 56.100 -0.012 0.000 0.968 31 R CB -0.108 30.200 30.300 0.013 0.000 0.863 31 R HN 0.276 nan 8.270 nan 0.000 0.433 32 R N 1.042 121.508 120.500 -0.056 0.000 2.052 32 R HA -0.016 4.324 4.340 -0.000 0.000 0.224 32 R C 2.210 178.424 176.300 -0.143 0.000 1.165 32 R CA 1.043 57.100 56.100 -0.073 0.000 0.939 32 R CB -0.595 29.662 30.300 -0.070 0.000 0.834 32 R HN -0.029 nan 8.270 nan 0.000 0.435 33 K N 1.274 121.510 120.400 -0.273 0.000 2.057 33 K HA 0.040 4.360 4.320 -0.000 0.000 0.206 33 K C 1.968 178.360 176.600 -0.346 0.000 1.050 33 K CA 1.154 57.200 56.287 -0.403 0.000 0.935 33 K CB -0.185 31.806 32.500 -0.848 0.000 0.715 33 K HN 0.107 nan 8.250 nan 0.000 0.439 34 L N -0.714 120.317 121.223 -0.320 0.000 2.592 34 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 34 L C 0.920 177.727 176.870 -0.104 0.000 1.127 34 L CA 0.331 55.063 54.840 -0.180 0.000 0.884 34 L CB -0.233 41.765 42.059 -0.101 0.000 1.065 34 L HN 0.505 nan 8.230 nan 0.000 0.457 35 G N 1.422 110.163 108.800 -0.097 0.000 2.233 35 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.270 35 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.270 35 G C 0.269 175.141 174.900 -0.047 0.000 1.011 35 G CA 0.175 45.235 45.100 -0.067 0.000 0.762 35 G HN 0.343 nan 8.290 nan 0.000 0.511 36 L N -0.174 121.027 121.223 -0.036 0.000 2.353 36 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 36 L C 1.466 178.326 176.870 -0.017 0.000 1.085 36 L CA -0.904 53.923 54.840 -0.022 0.000 0.938 36 L CB 0.857 42.911 42.059 -0.009 0.000 1.312 36 L HN -0.006 nan 8.230 nan 0.000 0.429 37 R N 1.034 121.524 120.500 -0.017 0.000 2.328 37 R HA 0.025 4.365 4.340 -0.000 0.000 0.200 37 R C 2.007 178.291 176.300 -0.026 0.000 0.983 37 R CA 0.450 56.544 56.100 -0.010 0.000 1.062 37 R CB -0.276 30.028 30.300 0.008 0.000 0.956 37 R HN 0.681 nan 8.270 nan 0.000 0.479 38 G N -0.081 108.700 108.800 -0.032 0.000 2.422 38 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 38 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 38 G C 0.341 175.186 174.900 -0.091 0.000 1.146 38 G CA 0.552 45.621 45.100 -0.051 0.000 0.769 38 G HN 0.262 nan 8.290 nan 0.000 0.547 39 T N 2.608 117.121 114.554 -0.068 0.000 2.779 39 T HA 0.405 4.755 4.350 -0.000 0.000 0.296 39 T C 0.070 174.707 174.700 -0.105 0.000 0.938 39 T CA -0.245 61.812 62.100 -0.072 0.000 1.119 39 T CB 1.436 70.290 68.868 -0.023 0.000 0.891 39 T HN 0.024 nan 8.240 nan 0.000 0.526 40 K N 2.027 122.315 120.400 -0.188 0.000 2.132 40 K HA 0.563 4.883 4.320 -0.000 0.000 0.241 40 K C -0.525 176.062 176.600 -0.022 0.000 1.000 40 K CA -1.107 55.038 56.287 -0.237 0.000 0.911 40 K CB 1.418 33.431 32.500 -0.813 0.000 1.093 40 K HN 0.396 nan 8.250 nan 0.000 0.460 41 L N -0.039 121.252 121.223 0.113 0.000 2.298 41 L HA 0.489 4.829 4.340 -0.000 0.000 0.284 41 L C 0.529 177.558 176.870 0.264 0.000 1.013 41 L CA 0.404 55.344 54.840 0.167 0.000 0.824 41 L CB 1.415 43.559 42.059 0.141 0.000 1.221 41 L HN 0.793 nan 8.230 nan 0.000 0.418 42 G N 2.037 110.976 108.800 0.233 0.000 2.945 42 G HA2 0.176 4.136 3.960 -0.000 0.000 0.225 42 G HA3 0.176 4.136 3.960 -0.000 0.000 0.225 42 G C 0.641 175.628 174.900 0.145 0.000 1.046 42 G CA 0.670 45.897 45.100 0.211 0.000 0.842 42 G HN 0.933 nan 8.290 nan 0.000 0.543 43 C N -4.217 115.199 119.300 0.194 0.000 4.905 43 C HA 0.507 4.967 4.460 -0.000 0.000 0.494 43 C C 2.018 177.185 174.990 0.295 0.000 1.056 43 C CA 0.835 59.994 59.018 0.235 0.000 2.487 43 C CB 0.105 28.015 27.740 0.283 0.000 3.224 43 C HN 1.561 nan 8.230 nan 0.000 0.410 44 G N 1.925 110.881 108.800 0.259 0.000 2.168 44 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 44 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 44 G C 0.303 175.431 174.900 0.380 0.000 0.977 44 G CA 0.971 46.239 45.100 0.281 0.000 0.659 44 G HN 0.820 nan 8.290 nan 0.000 0.533 45 E N -0.685 119.698 120.200 0.305 0.000 2.526 45 E HA 0.409 4.759 4.350 -0.000 0.000 0.208 45 E C 1.755 178.450 176.600 0.158 0.000 0.997 45 E CA 0.236 56.754 56.400 0.197 0.000 0.961 45 E CB 0.548 30.258 29.700 0.017 0.000 1.030 45 E HN 1.342 nan 8.360 nan 0.000 0.483 46 G N 1.224 110.132 108.800 0.179 0.000 2.157 46 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.248 46 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.248 46 G C 0.890 175.886 174.900 0.161 0.000 0.979 46 G CA 0.109 45.305 45.100 0.160 0.000 0.650 46 G HN 0.472 nan 8.290 nan 0.000 0.529 47 G N -0.362 108.544 108.800 0.176 0.000 2.595 47 G HA2 0.177 4.137 3.960 -0.000 0.000 0.213 47 G HA3 0.177 4.137 3.960 -0.000 0.000 0.213 47 G C 1.985 177.022 174.900 0.227 0.000 1.141 47 G CA 2.013 47.222 45.100 0.181 0.000 0.806 47 G HN 1.471 nan 8.290 nan 0.000 0.530 48 C N -1.202 118.262 119.300 0.274 0.000 2.527 48 C HA 0.518 4.978 4.460 -0.000 0.000 0.280 48 C C 2.282 177.441 174.990 0.281 0.000 1.353 48 C CA 0.661 59.871 59.018 0.320 0.000 1.749 48 C CB -0.409 27.563 27.740 0.387 0.000 2.088 48 C HN 1.176 nan 8.230 nan 0.000 0.508 49 G N 0.668 109.607 108.800 0.231 0.000 2.143 49 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.248 49 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.248 49 G C 0.951 175.959 174.900 0.180 0.000 0.991 49 G CA 0.509 45.730 45.100 0.202 0.000 0.689 49 G HN 1.513 nan 8.290 nan 0.000 0.522 50 A N -0.612 122.312 122.820 0.174 0.000 2.206 50 A HA 0.341 4.661 4.320 -0.000 0.000 0.211 50 A C 2.163 179.775 177.584 0.046 0.000 1.158 50 A CA 2.013 54.116 52.037 0.111 0.000 0.761 50 A CB -0.581 18.509 19.000 0.149 0.000 0.801 50 A HN 1.812 nan 8.150 nan 0.000 0.473 51 C N -2.095 117.252 119.300 0.079 0.000 2.760 51 C HA 0.394 4.854 4.460 -0.000 0.000 0.293 51 C C 0.587 175.611 174.990 0.056 0.000 1.383 51 C CA -0.554 58.496 59.018 0.054 0.000 1.771 51 C CB -1.871 25.914 27.740 0.075 0.000 2.353 51 C HN 0.251 nan 8.230 nan 0.000 0.578 52 T N 2.936 117.530 114.554 0.067 0.000 2.888 52 T HA 0.443 4.793 4.350 -0.000 0.000 0.301 52 T C 0.299 175.019 174.700 0.033 0.000 1.001 52 T CA 0.619 62.757 62.100 0.064 0.000 1.147 52 T CB 0.757 69.679 68.868 0.089 0.000 0.931 52 T HN 0.962 nan 8.240 nan 0.000 0.541 53 V N 1.497 121.423 119.914 0.021 0.000 3.130 53 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 53 V C -0.591 175.491 176.094 -0.020 0.000 1.158 53 V CA -1.485 60.814 62.300 -0.002 0.000 1.029 53 V CB 2.279 34.099 31.823 -0.005 0.000 1.057 53 V HN 0.869 nan 8.190 nan 0.000 0.436 54 M N 2.712 122.296 119.600 -0.026 0.000 2.363 54 M HA 0.676 5.156 4.480 -0.000 0.000 0.343 54 M C -1.731 174.491 176.300 -0.131 0.000 1.165 54 M CA -0.629 54.636 55.300 -0.058 0.000 1.046 54 M CB 1.390 34.011 32.600 0.035 0.000 1.648 54 M HN 0.749 nan 8.290 nan 0.000 0.452 55 L N 3.501 124.512 121.223 -0.354 0.000 2.333 55 L HA 0.554 4.894 4.340 -0.000 0.000 0.280 55 L C -0.803 175.818 176.870 -0.415 0.000 1.004 55 L CA -0.573 53.991 54.840 -0.460 0.000 0.820 55 L CB 2.112 43.666 42.059 -0.843 0.000 1.247 55 L HN 0.701 nan 8.230 nan 0.000 0.416 56 S N 2.734 118.420 115.700 -0.025 0.000 2.500 56 S HA 0.744 5.214 4.470 -0.000 0.000 0.301 56 S C -0.849 173.893 174.600 0.238 0.000 1.092 56 S CA -0.854 57.438 58.200 0.154 0.000 1.030 56 S CB 2.286 65.770 63.200 0.473 0.000 1.031 56 S HN 0.679 nan 8.310 nan 0.000 0.483 57 K N 0.665 121.120 120.400 0.091 0.000 2.555 57 K HA 0.455 4.775 4.320 -0.000 0.000 0.279 57 K C -1.960 174.596 176.600 -0.075 0.000 0.986 57 K CA -0.983 55.412 56.287 0.179 0.000 0.880 57 K CB 0.971 33.621 32.500 0.250 0.000 1.474 57 K HN 0.496 nan 8.250 nan 0.000 0.433 58 Y N 1.819 122.070 120.300 -0.082 0.000 2.425 58 Y HA 0.265 4.815 4.550 -0.000 0.000 0.347 58 Y C -0.934 174.920 175.900 -0.077 0.000 0.976 58 Y CA -0.433 57.566 58.100 -0.167 0.000 1.190 58 Y CB 0.869 39.286 38.460 -0.072 0.000 1.136 58 Y HN 0.817 nan 8.280 nan 0.000 0.517 59 D N 4.521 124.558 120.400 -0.605 0.000 2.277 59 D HA 0.232 4.872 4.640 -0.000 0.000 0.249 59 D C -0.841 175.028 176.300 -0.717 0.000 1.134 59 D CA -0.567 53.145 54.000 -0.481 0.000 0.863 59 D CB 0.658 41.276 40.800 -0.303 0.000 1.143 59 D HN 0.488 nan 8.370 nan 0.000 0.458 60 R N 4.017 124.261 120.500 -0.427 0.000 2.265 60 R HA 0.548 4.888 4.340 -0.000 0.000 0.319 60 R C -0.029 176.162 176.300 -0.181 0.000 1.006 60 R CA -0.360 55.563 56.100 -0.294 0.000 0.880 60 R CB 0.115 30.355 30.300 -0.099 0.000 1.077 60 R HN 0.739 nan 8.270 nan 0.000 0.454 61 L N 1.786 122.915 121.223 -0.156 0.000 1.563 61 L HA -0.229 4.111 4.340 -0.000 0.000 0.500 61 L C -0.235 176.562 176.870 -0.122 0.000 0.755 61 L CA 0.763 55.538 54.840 -0.109 0.000 2.668 61 L CB -0.871 41.131 42.059 -0.095 0.000 1.029 61 L HN 0.718 nan 8.230 nan 0.000 0.617 62 Q N -0.032 119.663 119.800 -0.175 0.000 2.280 62 Q HA 0.086 4.426 4.340 -0.000 0.000 0.244 62 Q C -0.154 175.739 176.000 -0.178 0.000 0.847 62 Q CA 0.442 56.149 55.803 -0.160 0.000 0.945 62 Q CB 0.842 29.477 28.738 -0.170 0.000 1.115 62 Q HN 0.487 nan 8.270 nan 0.000 0.513 63 D N 1.868 122.111 120.400 -0.262 0.000 2.735 63 D HA -0.191 4.449 4.640 -0.000 0.000 0.235 63 D C -0.743 175.466 176.300 -0.152 0.000 1.175 63 D CA 1.330 55.202 54.000 -0.212 0.000 0.683 63 D CB -0.729 40.058 40.800 -0.023 0.000 1.008 63 D HN 0.253 nan 8.370 nan 0.000 0.416 64 K N 0.501 120.698 120.400 -0.338 0.000 2.597 64 K HA 0.383 4.703 4.320 -0.000 0.000 0.282 64 K C -0.811 175.620 176.600 -0.281 0.000 0.975 64 K CA -0.978 55.197 56.287 -0.187 0.000 0.867 64 K CB 0.849 33.254 32.500 -0.158 0.000 1.465 64 K HN -0.051 nan 8.250 nan 0.000 0.417 65 I N 4.580 124.995 120.570 -0.260 0.000 2.441 65 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 65 I C 0.558 176.368 176.117 -0.512 0.000 1.049 65 I CA -0.350 60.669 61.300 -0.469 0.000 1.381 65 I CB 0.290 37.908 38.000 -0.637 0.000 1.409 65 I HN 0.551 nan 8.210 nan 0.000 0.523 66 I N 4.113 124.386 120.570 -0.495 0.000 2.693 66 I HA 0.577 4.747 4.170 -0.000 0.000 0.303 66 I C -0.922 174.923 176.117 -0.454 0.000 1.025 66 I CA -0.570 60.506 61.300 -0.373 0.000 1.086 66 I CB 2.481 40.417 38.000 -0.107 0.000 1.268 66 I HN 0.379 nan 8.210 nan 0.000 0.440 67 H N 5.197 124.307 119.070 0.066 0.000 2.689 67 H HA 0.595 5.151 4.556 -0.000 0.000 0.346 67 H C -1.370 174.034 175.328 0.127 0.000 1.037 67 H CA -0.443 55.613 56.048 0.013 0.000 1.234 67 H CB 1.828 31.548 29.762 -0.069 0.000 1.572 67 H HN 0.726 nan 8.280 nan 0.000 0.524 68 F N -0.411 119.582 119.950 0.072 0.000 2.645 68 F HA 0.593 5.120 4.527 -0.000 0.000 0.310 68 F C -0.287 175.526 175.800 0.022 0.000 1.102 68 F CA -1.212 56.797 58.000 0.014 0.000 0.952 68 F CB 1.100 40.094 39.000 -0.011 0.000 1.326 68 F HN 0.344 nan 8.300 nan 0.000 0.456 69 S N 1.207 117.006 115.700 0.165 0.000 2.652 69 S HA 0.938 5.408 4.470 -0.000 0.000 0.270 69 S C -0.489 174.206 174.600 0.158 0.000 1.243 69 S CA -0.061 58.184 58.200 0.075 0.000 0.999 69 S CB 1.466 64.691 63.200 0.041 0.000 0.973 69 S HN 1.745 nan 8.310 nan 0.000 0.544 70 A N 1.294 124.170 122.820 0.094 0.000 2.594 70 A HA 0.568 4.888 4.320 -0.000 0.000 0.296 70 A C -1.214 176.424 177.584 0.089 0.000 1.061 70 A CA -1.057 51.055 52.037 0.125 0.000 0.689 70 A CB 0.895 19.981 19.000 0.144 0.000 1.280 70 A HN 0.801 nan 8.150 nan 0.000 0.406 71 N N 1.664 120.425 118.700 0.102 0.000 2.406 71 N HA 0.318 5.058 4.740 -0.000 0.000 0.251 71 N C 1.167 176.725 175.510 0.080 0.000 1.069 71 N CA 0.497 53.605 53.050 0.098 0.000 0.947 71 N CB 1.801 40.359 38.487 0.118 0.000 1.111 71 N HN 0.790 nan 8.380 nan 0.000 0.497 72 A N 1.843 124.700 122.820 0.061 0.000 2.024 72 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 72 A C 2.290 179.905 177.584 0.051 0.000 1.164 72 A CA 1.222 53.284 52.037 0.041 0.000 0.643 72 A CB -0.652 18.368 19.000 0.033 0.000 0.806 72 A HN 0.896 nan 8.150 nan 0.000 0.451 73 C N -2.123 117.223 119.300 0.076 0.000 2.437 73 C HA 0.269 4.729 4.460 -0.000 0.000 0.283 73 C C 1.947 176.995 174.990 0.096 0.000 1.424 73 C CA 0.697 59.768 59.018 0.088 0.000 1.782 73 C CB -1.441 26.370 27.740 0.118 0.000 1.833 73 C HN 0.458 nan 8.230 nan 0.000 0.532 74 L N 0.442 121.725 121.223 0.099 0.000 2.731 74 L HA 0.358 4.698 4.340 -0.000 0.000 0.240 74 L C 1.483 178.407 176.870 0.090 0.000 1.120 74 L CA 0.184 55.091 54.840 0.111 0.000 0.913 74 L CB -0.153 41.985 42.059 0.132 0.000 1.213 74 L HN 0.239 nan 8.230 nan 0.000 0.515 75 A N 1.663 124.517 122.820 0.057 0.000 2.350 75 A HA 0.482 4.802 4.320 -0.000 0.000 0.293 75 A C -2.408 175.149 177.584 -0.046 0.000 1.231 75 A CA -1.137 50.912 52.037 0.021 0.000 0.883 75 A CB -0.364 18.635 19.000 -0.001 0.000 1.133 75 A HN -0.093 nan 8.150 nan 0.000 0.533 76 P HA 0.150 nan 4.420 nan 0.000 0.275 76 P C 1.173 178.263 177.300 -0.350 0.000 1.228 76 P CA -0.428 62.566 63.100 -0.178 0.000 0.786 76 P CB 0.613 32.221 31.700 -0.153 0.000 0.927 77 I N -0.669 119.628 120.570 -0.455 0.000 2.493 77 I HA -0.150 4.020 4.170 -0.000 0.000 0.254 77 I C 1.041 176.747 176.117 -0.685 0.000 1.160 77 I CA 1.315 62.249 61.300 -0.610 0.000 1.445 77 I CB -0.967 36.615 38.000 -0.697 0.000 1.086 77 I HN 0.143 nan 8.210 nan 0.000 0.433 78 C N 2.153 120.909 119.300 -0.907 0.000 2.460 78 C HA -0.029 4.431 4.460 -0.000 0.000 0.291 78 C C 2.617 177.144 174.990 -0.771 0.000 1.493 78 C CA 1.432 59.731 59.018 -1.198 0.000 1.748 78 C CB -2.133 24.402 27.740 -2.009 0.000 1.656 78 C HN 0.739 nan 8.230 nan 0.000 0.576 79 T N -3.298 110.978 114.554 -0.463 0.000 3.040 79 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 79 T C 0.929 175.652 174.700 0.038 0.000 1.058 79 T CA 0.288 62.347 62.100 -0.067 0.000 0.988 79 T CB -0.220 68.682 68.868 0.056 0.000 0.993 79 T HN 0.461 nan 8.240 nan 0.000 0.519 80 L N 0.905 122.066 121.223 -0.104 0.000 2.653 80 L HA 0.368 4.708 4.340 -0.000 0.000 0.231 80 L C 0.621 177.585 176.870 0.157 0.000 1.153 80 L CA -0.597 54.208 54.840 -0.059 0.000 0.933 80 L CB -0.704 41.091 42.059 -0.440 0.000 1.175 80 L HN 0.304 nan 8.230 nan 0.000 0.473 81 H N 1.071 120.275 119.070 0.222 0.000 3.107 81 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 81 H C 0.473 176.091 175.328 0.483 0.000 0.981 81 H CA 0.813 57.092 56.048 0.386 0.000 1.443 81 H CB -0.202 29.843 29.762 0.472 0.000 1.479 81 H HN 0.205 nan 8.280 nan 0.000 0.564 82 H N 1.221 120.292 119.070 0.002 0.000 2.903 82 H HA -0.156 4.400 4.556 -0.000 0.000 0.285 82 H C -0.800 174.658 175.328 0.216 0.000 1.231 82 H CA 0.242 56.345 56.048 0.092 0.000 1.135 82 H CB -1.423 28.361 29.762 0.036 0.000 1.328 82 H HN 0.198 nan 8.280 nan 0.000 0.388 83 V N 0.371 120.507 119.914 0.369 0.000 2.555 83 V HA 0.643 4.763 4.120 -0.000 0.000 0.302 83 V C 0.275 176.552 176.094 0.304 0.000 1.038 83 V CA -0.199 62.283 62.300 0.303 0.000 0.887 83 V CB 1.880 33.837 31.823 0.224 0.000 0.991 83 V HN 0.392 nan 8.190 nan 0.000 0.434 84 A N 4.575 127.543 122.820 0.248 0.000 2.252 84 A HA 0.718 5.038 4.320 -0.000 0.000 0.309 84 A C -0.412 177.276 177.584 0.173 0.000 1.285 84 A CA -0.373 51.787 52.037 0.206 0.000 0.900 84 A CB 0.584 19.612 19.000 0.046 0.000 1.157 84 A HN 0.645 nan 8.150 nan 0.000 0.536 85 V N 2.559 122.590 119.914 0.195 0.000 2.607 85 V HA 0.495 4.614 4.120 -0.000 0.000 0.289 85 V C 0.415 176.566 176.094 0.095 0.000 1.053 85 V CA -0.000 62.368 62.300 0.114 0.000 0.996 85 V CB 1.631 33.539 31.823 0.141 0.000 0.995 85 V HN 0.890 nan 8.190 nan 0.000 0.476 86 T N 2.794 117.374 114.554 0.043 0.000 2.890 86 T HA 0.507 4.857 4.350 -0.000 0.000 0.295 86 T C 0.023 174.707 174.700 -0.026 0.000 0.993 86 T CA -0.530 61.578 62.100 0.012 0.000 0.979 86 T CB 1.411 70.292 68.868 0.021 0.000 0.967 86 T HN 0.948 nan 8.240 nan 0.000 0.441 87 T N -0.658 113.872 114.554 -0.040 0.000 2.910 87 T HA 0.488 4.838 4.350 -0.000 0.000 0.279 87 T C 1.579 176.211 174.700 -0.113 0.000 0.989 87 T CA -0.562 61.506 62.100 -0.053 0.000 0.968 87 T CB 1.166 70.022 68.868 -0.021 0.000 1.135 87 T HN 0.192 nan 8.240 nan 0.000 0.562 88 V N 1.429 121.283 119.914 -0.100 0.000 2.287 88 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 88 V C 2.618 178.637 176.094 -0.125 0.000 1.053 88 V CA 2.575 64.800 62.300 -0.126 0.000 1.027 88 V CB -1.080 30.696 31.823 -0.077 0.000 0.646 88 V HN 0.981 nan 8.190 nan 0.000 0.447 89 E N 0.102 120.252 120.200 -0.083 0.000 2.472 89 E HA -0.055 4.295 4.350 -0.000 0.000 0.200 89 E C 1.848 178.403 176.600 -0.075 0.000 1.046 89 E CA 1.106 57.467 56.400 -0.065 0.000 0.871 89 E CB -0.538 29.137 29.700 -0.042 0.000 0.806 89 E HN 0.647 nan 8.360 nan 0.000 0.533 90 G N 1.976 110.714 108.800 -0.104 0.000 3.141 90 G HA2 0.169 4.129 3.960 -0.000 0.000 0.218 90 G HA3 0.169 4.129 3.960 -0.000 0.000 0.218 90 G C 1.435 176.243 174.900 -0.154 0.000 1.170 90 G CA 0.210 45.250 45.100 -0.100 0.000 0.769 90 G HN 0.440 nan 8.290 nan 0.000 0.546 91 I N -4.330 116.108 120.570 -0.220 0.000 4.327 91 I HA 0.613 4.783 4.170 -0.000 0.000 0.331 91 I C 0.587 176.654 176.117 -0.084 0.000 1.348 91 I CA -0.052 61.084 61.300 -0.273 0.000 1.152 91 I CB 1.098 38.648 38.000 -0.750 0.000 1.151 91 I HN 0.035 nan 8.210 nan 0.000 0.410 92 G N 0.941 109.706 108.800 -0.059 0.000 2.313 92 G HA2 0.472 4.432 3.960 -0.000 0.000 0.296 92 G HA3 0.472 4.432 3.960 -0.000 0.000 0.296 92 G C -1.296 173.598 174.900 -0.010 0.000 1.356 92 G CA 0.048 45.149 45.100 0.001 0.000 0.833 92 G HN 0.678 nan 8.290 nan 0.000 0.552 93 S N -2.506 113.196 115.700 0.004 0.000 2.633 93 S HA 0.583 5.053 4.470 -0.000 0.000 0.271 93 S C 0.902 175.506 174.600 0.007 0.000 1.112 93 S CA 0.971 59.171 58.200 0.001 0.000 0.828 93 S CB 0.914 64.108 63.200 -0.009 0.000 1.086 93 S HN 2.216 nan 8.310 nan 0.000 0.461 94 T N -0.670 113.888 114.554 0.007 0.000 3.035 94 T HA 0.090 4.440 4.350 -0.000 0.000 0.268 94 T C 1.163 175.865 174.700 0.002 0.000 1.109 94 T CA 0.964 63.069 62.100 0.009 0.000 1.119 94 T CB -0.556 68.320 68.868 0.013 0.000 0.900 94 T HN 0.675 nan 8.240 nan 0.000 0.503 95 K N 1.023 121.421 120.400 -0.003 0.000 2.418 95 K HA 0.069 4.388 4.320 -0.000 0.000 0.195 95 K C 2.219 178.815 176.600 -0.007 0.000 1.035 95 K CA 1.288 57.570 56.287 -0.009 0.000 1.003 95 K CB 0.133 32.625 32.500 -0.013 0.000 0.793 95 K HN 0.688 nan 8.250 nan 0.000 0.494 96 T N -2.536 112.017 114.554 -0.002 0.000 3.431 96 T HA 0.175 4.525 4.350 -0.000 0.000 0.207 96 T C -0.125 174.578 174.700 0.006 0.000 0.979 96 T CA -0.542 61.558 62.100 0.000 0.000 1.141 96 T CB 0.349 69.218 68.868 0.000 0.000 1.278 96 T HN 0.060 nan 8.240 nan 0.000 0.334 97 R N 0.178 120.684 120.500 0.010 0.000 2.808 97 R HA 0.476 4.816 4.340 -0.000 0.000 0.254 97 R C -1.813 174.502 176.300 0.025 0.000 1.145 97 R CA -0.633 55.476 56.100 0.016 0.000 1.066 97 R CB 1.010 31.318 30.300 0.013 0.000 1.268 97 R HN 0.405 nan 8.270 nan 0.000 0.447 98 L N 3.578 124.819 121.223 0.029 0.000 2.452 98 L HA 0.247 4.587 4.340 -0.000 0.000 0.267 98 L C 0.779 177.691 176.870 0.070 0.000 1.188 98 L CA -0.355 54.513 54.840 0.048 0.000 0.821 98 L CB 0.469 42.551 42.059 0.039 0.000 1.102 98 L HN 0.556 nan 8.230 nan 0.000 0.470 99 H N 3.204 122.277 119.070 0.005 0.000 2.505 99 H HA 0.145 4.701 4.556 -0.000 0.000 0.351 99 H C -1.970 173.398 175.328 0.067 0.000 1.151 99 H CA -1.822 54.244 56.048 0.029 0.000 1.339 99 H CB 1.947 31.706 29.762 -0.006 0.000 1.483 99 H HN 0.296 nan 8.280 nan 0.000 0.558 100 P HA -0.219 nan 4.420 nan 0.000 0.218 100 P C 1.705 179.239 177.300 0.389 0.000 1.154 100 P CA 1.310 64.465 63.100 0.092 0.000 0.872 100 P CB 0.269 32.046 31.700 0.127 0.000 0.790 101 V N -0.402 119.910 119.914 0.663 0.000 2.255 101 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 101 V C 2.444 178.771 176.094 0.388 0.000 1.051 101 V CA 2.003 64.612 62.300 0.516 0.000 1.018 101 V CB -1.386 30.559 31.823 0.203 0.000 0.641 101 V HN 0.204 nan 8.190 nan 0.000 0.445 102 Q N -0.433 119.520 119.800 0.256 0.000 2.167 102 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 102 Q C 2.324 178.361 176.000 0.063 0.000 0.970 102 Q CA 1.698 57.585 55.803 0.140 0.000 0.855 102 Q CB -0.190 28.601 28.738 0.088 0.000 0.911 102 Q HN 0.762 nan 8.270 nan 0.000 0.438 103 E N 1.343 121.560 120.200 0.029 0.000 2.028 103 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 103 E C 1.996 178.438 176.600 -0.263 0.000 0.988 103 E CA 0.762 57.111 56.400 -0.084 0.000 0.799 103 E CB 0.145 29.791 29.700 -0.090 0.000 0.755 103 E HN 0.256 nan 8.360 nan 0.000 0.447 104 R N 0.422 120.676 120.500 -0.411 0.000 2.073 104 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 104 R C 2.655 178.679 176.300 -0.460 0.000 1.134 104 R CA 1.448 57.072 56.100 -0.794 0.000 0.952 104 R CB -0.581 29.270 30.300 -0.748 0.000 0.850 104 R HN 0.324 nan 8.270 nan 0.000 0.433 105 I N 0.802 121.251 120.570 -0.201 0.000 2.264 105 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 105 I C 2.250 178.226 176.117 -0.235 0.000 1.111 105 I CA 1.306 62.428 61.300 -0.298 0.000 1.382 105 I CB -0.088 37.837 38.000 -0.125 0.000 1.060 105 I HN 0.198 nan 8.210 nan 0.000 0.418 106 A N 0.407 123.128 122.820 -0.165 0.000 1.872 106 A HA -0.180 4.140 4.320 -0.000 0.000 0.214 106 A C 2.270 179.732 177.584 -0.204 0.000 1.187 106 A CA 1.369 53.328 52.037 -0.130 0.000 0.614 106 A CB -0.405 18.558 19.000 -0.062 0.000 0.826 106 A HN 0.351 nan 8.150 nan 0.000 0.442 107 K N 0.200 120.466 120.400 -0.223 0.000 2.288 107 K HA 0.031 4.351 4.320 -0.000 0.000 0.201 107 K C 1.523 177.830 176.600 -0.489 0.000 1.048 107 K CA 1.098 57.251 56.287 -0.224 0.000 0.956 107 K CB -0.012 32.525 32.500 0.062 0.000 0.746 107 K HN 0.352 nan 8.250 nan 0.000 0.461 108 S N 0.032 115.406 115.700 -0.543 0.000 2.593 108 S HA 0.008 4.478 4.470 -0.000 0.000 0.217 108 S C -0.337 174.107 174.600 -0.260 0.000 0.966 108 S CA -0.041 57.783 58.200 -0.626 0.000 0.914 108 S CB -0.150 62.621 63.200 -0.714 0.000 0.776 108 S HN 0.318 nan 8.310 nan 0.000 0.523 109 H N -1.362 117.669 119.070 -0.066 0.000 2.936 109 H HA -0.144 4.412 4.556 -0.000 0.000 0.276 109 H C 1.118 176.400 175.328 -0.077 0.000 1.216 109 H CA 0.665 56.693 56.048 -0.033 0.000 1.132 109 H CB -1.785 27.980 29.762 0.005 0.000 1.303 109 H HN 0.498 nan 8.280 nan 0.000 0.370 110 G N -0.070 108.669 108.800 -0.102 0.000 3.181 110 G HA2 0.214 4.174 3.960 -0.000 0.000 0.219 110 G HA3 0.214 4.174 3.960 -0.000 0.000 0.219 110 G C 0.400 175.234 174.900 -0.109 0.000 1.182 110 G CA 0.767 45.783 45.100 -0.141 0.000 0.791 110 G HN 0.358 nan 8.290 nan 0.000 0.537 111 S N -1.196 114.461 115.700 -0.072 0.000 2.614 111 S HA 0.511 4.981 4.470 -0.000 0.000 0.288 111 S C 0.224 174.771 174.600 -0.088 0.000 1.137 111 S CA -0.625 57.535 58.200 -0.068 0.000 0.992 111 S CB 1.986 65.147 63.200 -0.064 0.000 1.026 111 S HN 0.272 nan 8.310 nan 0.000 0.486 112 Q N 1.548 121.295 119.800 -0.089 0.000 2.612 112 Q HA 0.115 4.455 4.340 -0.000 0.000 0.193 112 Q C 2.019 177.904 176.000 -0.192 0.000 0.828 112 Q CA 0.865 56.598 55.803 -0.117 0.000 0.851 112 Q CB -0.181 28.552 28.738 -0.008 0.000 1.178 112 Q HN 0.956 nan 8.270 nan 0.000 0.634 113 C N -0.713 118.564 119.300 -0.039 0.000 2.563 113 C HA 0.468 4.928 4.460 -0.000 0.000 0.268 113 C C 1.677 176.754 174.990 0.146 0.000 1.365 113 C CA 0.343 59.384 59.018 0.037 0.000 1.754 113 C CB -0.705 27.078 27.740 0.071 0.000 1.932 113 C HN 0.814 nan 8.230 nan 0.000 0.536 114 G N 0.049 108.898 108.800 0.082 0.000 2.175 114 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.265 114 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.265 114 G C 0.392 175.384 174.900 0.153 0.000 0.979 114 G CA 0.625 45.793 45.100 0.113 0.000 0.663 114 G HN 0.617 nan 8.290 nan 0.000 0.533 115 F N 0.871 120.793 119.950 -0.048 0.000 2.293 115 F HA -0.022 4.505 4.527 -0.000 0.000 0.300 115 F C 2.794 178.539 175.800 -0.092 0.000 1.086 115 F CA 2.252 60.101 58.000 -0.251 0.000 1.375 115 F CB -0.153 38.638 39.000 -0.348 0.000 1.045 115 F HN 0.558 nan 8.300 nan 0.000 0.516 116 C N -1.855 117.531 119.300 0.143 0.000 2.563 116 C HA 0.080 4.540 4.460 -0.000 0.000 0.268 116 C C 2.490 177.535 174.990 0.091 0.000 1.365 116 C CA 0.666 59.763 59.018 0.133 0.000 1.754 116 C CB -1.411 26.437 27.740 0.180 0.000 1.932 116 C HN 0.370 nan 8.230 nan 0.000 0.536 117 T N 2.994 117.585 114.554 0.062 0.000 2.699 117 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 117 T C -0.369 174.374 174.700 0.071 0.000 1.036 117 T CA 2.590 64.731 62.100 0.069 0.000 1.147 117 T CB -1.441 67.454 68.868 0.046 0.000 0.862 117 T HN 0.466 nan 8.240 nan 0.000 0.446 118 P HA -0.034 nan 4.420 nan 0.000 0.214 118 P C 1.846 179.170 177.300 0.039 0.000 1.163 118 P CA 1.281 64.380 63.100 -0.002 0.000 0.883 118 P CB -0.530 31.126 31.700 -0.073 0.000 0.788 119 G N -0.517 108.314 108.800 0.051 0.000 2.432 119 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 119 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 119 G C 1.508 176.523 174.900 0.192 0.000 1.135 119 G CA 0.510 45.672 45.100 0.104 0.000 0.767 119 G HN 0.237 nan 8.290 nan 0.000 0.550 120 I N 0.152 120.871 120.570 0.247 0.000 2.439 120 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 120 I C 2.637 179.010 176.117 0.427 0.000 1.139 120 I CA 0.173 61.710 61.300 0.396 0.000 1.438 120 I CB -0.001 38.199 38.000 0.334 0.000 1.085 120 I HN 0.015 nan 8.210 nan 0.000 0.427 121 V N 0.568 120.647 119.914 0.275 0.000 2.427 121 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 121 V C 2.458 178.612 176.094 0.101 0.000 1.051 121 V CA 1.457 63.882 62.300 0.207 0.000 1.048 121 V CB -0.337 31.553 31.823 0.111 0.000 0.666 121 V HN 0.358 nan 8.190 nan 0.000 0.456 122 M N -0.931 118.720 119.600 0.083 0.000 2.254 122 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 122 M C 2.377 178.716 176.300 0.065 0.000 1.066 122 M CA 1.286 56.620 55.300 0.056 0.000 1.123 122 M CB -1.349 31.265 32.600 0.024 0.000 1.388 122 M HN 0.281 nan 8.290 nan 0.000 0.425 123 S N 0.589 116.342 115.700 0.089 0.000 2.368 123 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 123 S C 1.831 176.305 174.600 -0.210 0.000 1.029 123 S CA 1.260 59.436 58.200 -0.038 0.000 0.988 123 S CB -0.195 63.013 63.200 0.014 0.000 0.838 123 S HN 0.425 nan 8.310 nan 0.000 0.462 124 M N 0.155 119.699 119.600 -0.093 0.000 2.254 124 M HA 0.018 4.498 4.480 -0.000 0.000 0.265 124 M C 1.613 177.717 176.300 -0.327 0.000 1.066 124 M CA 1.273 56.389 55.300 -0.305 0.000 1.123 124 M CB -0.522 31.787 32.600 -0.486 0.000 1.388 124 M HN 0.371 nan 8.290 nan 0.000 0.425 125 Y N 0.341 120.449 120.300 -0.321 0.000 2.133 125 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 125 Y C 2.087 177.816 175.900 -0.285 0.000 1.134 125 Y CA 2.402 60.297 58.100 -0.342 0.000 1.133 125 Y CB -0.885 37.382 38.460 -0.322 0.000 0.987 125 Y HN 0.278 nan 8.280 nan 0.000 0.502 126 T N 1.666 116.095 114.554 -0.209 0.000 2.665 126 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 126 T C 1.808 176.339 174.700 -0.281 0.000 1.035 126 T CA 1.662 63.621 62.100 -0.235 0.000 1.151 126 T CB -0.848 67.960 68.868 -0.100 0.000 0.862 126 T HN 0.336 nan 8.240 nan 0.000 0.438 127 L N 1.234 122.285 121.223 -0.287 0.000 1.971 127 L HA -0.054 4.286 4.340 -0.000 0.000 0.215 127 L C 2.223 178.917 176.870 -0.292 0.000 1.072 127 L CA 1.743 56.417 54.840 -0.276 0.000 0.758 127 L CB -0.979 40.888 42.059 -0.320 0.000 0.889 127 L HN 0.265 nan 8.230 nan 0.000 0.433 128 L N -0.874 120.117 121.223 -0.387 0.000 2.187 128 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 128 L C 2.602 179.245 176.870 -0.378 0.000 1.100 128 L CA 1.061 55.664 54.840 -0.394 0.000 0.765 128 L CB -0.445 41.302 42.059 -0.521 0.000 0.904 128 L HN 0.289 nan 8.230 nan 0.000 0.437 129 R N -0.187 120.019 120.500 -0.489 0.000 2.236 129 R HA -0.012 4.328 4.340 -0.000 0.000 0.208 129 R C 1.805 177.972 176.300 -0.221 0.000 1.036 129 R CA 0.719 56.536 56.100 -0.471 0.000 1.001 129 R CB -0.059 29.809 30.300 -0.720 0.000 0.896 129 R HN 0.343 nan 8.270 nan 0.000 0.464 130 N N -1.049 117.549 118.700 -0.169 0.000 2.482 130 N HA -0.017 4.723 4.740 -0.000 0.000 0.179 130 N C -0.454 175.006 175.510 -0.084 0.000 1.039 130 N CA 0.333 53.337 53.050 -0.076 0.000 0.884 130 N CB 0.541 38.989 38.487 -0.065 0.000 1.113 130 N HN 0.015 nan 8.380 nan 0.000 0.440 131 Q N 1.193 120.922 119.800 -0.117 0.000 2.337 131 Q HA 0.311 4.651 4.340 -0.000 0.000 0.264 131 Q C -2.343 173.593 176.000 -0.107 0.000 1.007 131 Q CA -1.809 53.939 55.803 -0.091 0.000 0.727 131 Q CB 2.182 30.873 28.738 -0.079 0.000 1.256 131 Q HN -0.039 nan 8.270 nan 0.000 0.467 132 P HA -0.069 nan 4.420 nan 0.000 0.226 132 P C -0.680 176.609 177.300 -0.019 0.000 1.153 132 P CA 0.843 63.901 63.100 -0.070 0.000 0.777 132 P CB 0.567 32.242 31.700 -0.043 0.000 0.794 133 E N 1.043 121.241 120.200 -0.004 0.000 2.873 133 E HA 0.259 4.609 4.350 -0.000 0.000 0.232 133 E C -2.411 174.206 176.600 0.027 0.000 1.123 133 E CA -1.960 54.463 56.400 0.038 0.000 0.809 133 E CB 1.527 31.252 29.700 0.041 0.000 1.366 133 E HN 0.331 nan 8.360 nan 0.000 0.400 134 P HA 0.039 nan 4.420 nan 0.000 0.276 134 P C 0.027 177.359 177.300 0.053 0.000 1.261 134 P CA -0.230 62.880 63.100 0.017 0.000 0.800 134 P CB 0.918 32.613 31.700 -0.008 0.000 1.066 135 T N -3.214 111.365 114.554 0.042 0.000 2.928 135 T HA 0.201 4.551 4.350 -0.000 0.000 0.284 135 T C 1.408 176.155 174.700 0.079 0.000 1.008 135 T CA -0.723 61.412 62.100 0.057 0.000 1.057 135 T CB 0.474 69.365 68.868 0.039 0.000 1.018 135 T HN 0.063 nan 8.240 nan 0.000 0.493 136 V N 1.348 121.321 119.914 0.098 0.000 2.453 136 V HA -0.175 3.945 4.120 -0.000 0.000 0.252 136 V C 2.712 178.876 176.094 0.118 0.000 1.068 136 V CA 2.463 64.839 62.300 0.127 0.000 1.070 136 V CB -0.911 30.985 31.823 0.121 0.000 0.664 136 V HN 1.083 nan 8.190 nan 0.000 0.461 137 E N -0.207 120.043 120.200 0.084 0.000 2.112 137 E HA -0.197 4.153 4.350 -0.000 0.000 0.190 137 E C 2.135 178.757 176.600 0.037 0.000 0.979 137 E CA 1.083 57.527 56.400 0.072 0.000 0.814 137 E CB 0.005 29.739 29.700 0.058 0.000 0.762 137 E HN 0.734 nan 8.360 nan 0.000 0.460 138 E N 0.362 120.569 120.200 0.013 0.000 2.152 138 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 138 E C 2.129 178.692 176.600 -0.062 0.000 0.983 138 E CA 0.740 57.117 56.400 -0.039 0.000 0.818 138 E CB 0.027 29.699 29.700 -0.047 0.000 0.758 138 E HN 0.391 nan 8.360 nan 0.000 0.467 139 I N 1.180 121.758 120.570 0.014 0.000 2.394 139 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 139 I C 2.571 178.751 176.117 0.106 0.000 1.136 139 I CA 1.131 62.467 61.300 0.060 0.000 1.425 139 I CB -0.178 37.953 38.000 0.219 0.000 1.079 139 I HN 0.151 nan 8.210 nan 0.000 0.425 140 E N 1.064 121.342 120.200 0.131 0.000 2.051 140 E HA -0.200 4.149 4.350 -0.000 0.000 0.189 140 E C 1.504 178.120 176.600 0.025 0.000 0.979 140 E CA 0.824 57.332 56.400 0.179 0.000 0.803 140 E CB 0.166 29.988 29.700 0.204 0.000 0.761 140 E HN 0.315 nan 8.360 nan 0.000 0.451 141 D N 0.323 120.700 120.400 -0.038 0.000 2.354 141 D HA -0.134 4.506 4.640 -0.000 0.000 0.216 141 D C 1.498 177.674 176.300 -0.205 0.000 0.970 141 D CA 0.807 54.745 54.000 -0.103 0.000 0.905 141 D CB 0.054 40.786 40.800 -0.114 0.000 0.903 141 D HN 0.257 nan 8.370 nan 0.000 0.508 142 A N -0.159 122.436 122.820 -0.375 0.000 2.014 142 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 142 A C 1.312 178.445 177.584 -0.752 0.000 1.163 142 A CA 0.554 52.202 52.037 -0.648 0.000 0.652 142 A CB -0.459 17.945 19.000 -0.994 0.000 0.808 142 A HN 0.178 nan 8.150 nan 0.000 0.449 143 F N -0.168 119.630 119.950 -0.254 0.000 2.730 143 F HA 0.208 4.735 4.527 -0.000 0.000 0.295 143 F C 1.693 177.417 175.800 -0.127 0.000 1.143 143 F CA -0.181 57.614 58.000 -0.341 0.000 1.367 143 F CB 0.109 38.428 39.000 -1.135 0.000 0.970 143 F HN 0.201 nan 8.300 nan 0.000 0.514 144 Q N 0.288 120.116 119.800 0.047 0.000 2.436 144 Q HA 0.016 4.356 4.340 -0.000 0.000 0.209 144 Q C 2.036 178.125 176.000 0.147 0.000 0.965 144 Q CA 0.887 56.755 55.803 0.108 0.000 0.910 144 Q CB 0.078 28.846 28.738 0.050 0.000 0.980 144 Q HN 0.563 nan 8.270 nan 0.000 0.491 145 G N -0.092 108.797 108.800 0.148 0.000 3.453 145 G HA2 0.113 4.073 3.960 -0.000 0.000 0.263 145 G HA3 0.113 4.073 3.960 -0.000 0.000 0.263 145 G C -0.360 174.682 174.900 0.237 0.000 1.060 145 G CA -0.326 44.876 45.100 0.170 0.000 0.793 145 G HN 0.111 nan 8.290 nan 0.000 0.532 146 N N -0.040 118.855 118.700 0.325 0.000 2.342 146 N HA 0.661 5.401 4.740 -0.000 0.000 0.293 146 N C -1.113 174.727 175.510 0.549 0.000 1.026 146 N CA -0.421 52.889 53.050 0.434 0.000 0.857 146 N CB 2.520 41.324 38.487 0.528 0.000 1.256 146 N HN -0.068 nan 8.380 nan 0.000 0.484 147 L N 1.392 122.895 121.223 0.468 0.000 2.362 147 L HA 0.620 4.960 4.340 -0.000 0.000 0.275 147 L C -0.927 176.150 176.870 0.345 0.000 0.998 147 L CA -0.891 54.225 54.840 0.460 0.000 0.820 147 L CB 1.703 43.988 42.059 0.376 0.000 1.270 147 L HN 0.544 nan 8.230 nan 0.000 0.415 148 C N 2.839 122.227 119.300 0.146 0.000 2.408 148 C HA 0.544 5.004 4.460 -0.000 0.000 0.321 148 C C 0.955 175.828 174.990 -0.195 0.000 1.245 148 C CA -0.527 58.404 59.018 -0.145 0.000 1.523 148 C CB 1.570 28.998 27.740 -0.520 0.000 2.178 148 C HN 0.980 nan 8.230 nan 0.000 0.488 149 R N 2.595 123.101 120.500 0.010 0.000 2.334 149 R HA 0.313 4.653 4.340 -0.000 0.000 0.212 149 R C 1.075 177.401 176.300 0.044 0.000 0.897 149 R CA 1.090 57.207 56.100 0.029 0.000 1.056 149 R CB -0.639 29.759 30.300 0.163 0.000 1.046 149 R HN 0.875 nan 8.270 nan 0.000 0.513 150 C N -1.827 117.515 119.300 0.070 0.000 2.519 150 C HA 0.138 4.598 4.460 -0.000 0.000 0.297 150 C C 2.330 177.325 174.990 0.008 0.000 1.414 150 C CA 0.753 59.856 59.018 0.142 0.000 1.893 150 C CB -0.145 27.682 27.740 0.145 0.000 2.134 150 C HN 0.612 nan 8.230 nan 0.000 0.580 151 T N -1.079 113.407 114.554 -0.113 0.000 3.007 151 T HA 0.200 4.550 4.350 -0.000 0.000 0.270 151 T C 1.598 176.220 174.700 -0.129 0.000 1.107 151 T CA 1.702 63.722 62.100 -0.133 0.000 1.118 151 T CB -0.559 68.203 68.868 -0.176 0.000 0.889 151 T HN 1.162 nan 8.240 nan 0.000 0.506 152 G N 0.439 109.141 108.800 -0.164 0.000 2.162 152 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 152 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 152 G C 0.624 175.611 174.900 0.144 0.000 0.976 152 G CA 0.483 45.621 45.100 0.063 0.000 0.655 152 G HN 0.663 nan 8.290 nan 0.000 0.533 153 Y N -2.348 117.866 120.300 -0.144 0.000 3.300 153 Y HA -0.396 4.154 4.550 -0.000 0.000 0.453 153 Y C 2.325 178.157 175.900 -0.113 0.000 1.180 153 Y CA 2.685 60.600 58.100 -0.309 0.000 2.522 153 Y CB -1.438 36.717 38.460 -0.508 0.000 0.854 153 Y HN 0.481 nan 8.280 nan 0.000 0.511 154 R N 1.115 121.698 120.500 0.139 0.000 2.112 154 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 154 R C -0.860 175.485 176.300 0.076 0.000 1.137 154 R CA 2.663 58.831 56.100 0.113 0.000 0.944 154 R CB -1.349 28.919 30.300 -0.053 0.000 0.857 154 R HN 0.401 nan 8.270 nan 0.000 0.435 155 P HA -0.156 nan 4.420 nan 0.000 0.215 155 P C 1.693 178.965 177.300 -0.047 0.000 1.153 155 P CA 1.465 64.584 63.100 0.032 0.000 0.853 155 P CB -0.264 31.448 31.700 0.019 0.000 0.788 156 I N -0.616 119.897 120.570 -0.096 0.000 2.208 156 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 156 I C 2.690 178.707 176.117 -0.167 0.000 1.097 156 I CA 1.396 62.554 61.300 -0.237 0.000 1.363 156 I CB -0.674 37.274 38.000 -0.086 0.000 1.051 156 I HN -0.124 nan 8.210 nan 0.000 0.413 157 L N -0.097 121.208 121.223 0.137 0.000 2.156 157 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 157 L C 2.629 179.644 176.870 0.241 0.000 1.095 157 L CA 1.098 56.102 54.840 0.274 0.000 0.770 157 L CB -0.449 41.828 42.059 0.363 0.000 0.914 157 L HN 0.326 nan 8.230 nan 0.000 0.439 158 Q N 0.044 119.962 119.800 0.196 0.000 2.083 158 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 158 Q C 2.167 178.344 176.000 0.296 0.000 0.969 158 Q CA 1.599 57.559 55.803 0.263 0.000 0.838 158 Q CB -0.143 28.771 28.738 0.294 0.000 0.900 158 Q HN 0.439 nan 8.270 nan 0.000 0.436 159 G N -0.047 108.812 108.800 0.098 0.000 2.433 159 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 159 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 159 G C 0.891 175.842 174.900 0.085 0.000 1.186 159 G CA 0.608 45.647 45.100 -0.101 0.000 0.779 159 G HN 0.356 nan 8.290 nan 0.000 0.543 160 F N 0.885 120.912 119.950 0.127 0.000 2.451 160 F HA 0.147 4.674 4.527 -0.000 0.000 0.299 160 F C 2.469 178.430 175.800 0.268 0.000 1.101 160 F CA 0.164 58.325 58.000 0.268 0.000 1.436 160 F CB -0.469 38.778 39.000 0.412 0.000 1.074 160 F HN 0.113 nan 8.300 nan 0.000 0.553 161 R N 0.647 121.382 120.500 0.392 0.000 2.249 161 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 161 R C 1.801 178.243 176.300 0.236 0.000 1.121 161 R CA 1.684 57.965 56.100 0.303 0.000 0.997 161 R CB -0.376 30.078 30.300 0.258 0.000 0.867 161 R HN 0.349 nan 8.270 nan 0.000 0.465 162 T N -2.827 111.835 114.554 0.180 0.000 3.160 162 T HA -0.011 4.339 4.350 -0.000 0.000 0.257 162 T C 1.287 175.985 174.700 -0.003 0.000 1.147 162 T CA 0.502 62.654 62.100 0.088 0.000 1.064 162 T CB -0.194 68.745 68.868 0.117 0.000 0.949 162 T HN 0.210 nan 8.240 nan 0.000 0.526 163 F N 1.570 121.634 119.950 0.189 0.000 2.619 163 F HA 0.526 5.053 4.527 -0.000 0.000 0.293 163 F C 1.951 177.808 175.800 0.094 0.000 1.119 163 F CA -0.488 57.585 58.000 0.120 0.000 1.445 163 F CB -0.063 38.986 39.000 0.081 0.000 1.119 163 F HN 0.249 nan 8.300 nan 0.000 0.573 164 A N 0.827 123.812 122.820 0.276 0.000 2.292 164 A HA 0.374 4.693 4.320 -0.000 0.000 0.265 164 A C 0.600 178.266 177.584 0.136 0.000 1.133 164 A CA -0.102 52.046 52.037 0.186 0.000 0.807 164 A CB 0.224 19.329 19.000 0.174 0.000 1.102 164 A HN 0.328 nan 8.150 nan 0.000 0.502 193 P HA 0.390 nan 4.420 nan 0.000 0.270 193 P C -0.805 176.350 177.300 -0.241 0.000 1.223 193 P CA -0.257 62.648 63.100 -0.326 0.000 0.785 193 P CB 0.368 31.809 31.700 -0.431 0.000 0.923 194 S N -0.071 115.685 115.700 0.094 0.000 2.568 194 S HA 0.350 4.819 4.470 -0.000 0.000 0.293 194 S C 1.051 175.829 174.600 0.296 0.000 1.089 194 S CA -0.971 57.341 58.200 0.188 0.000 0.945 194 S CB 1.293 64.455 63.200 -0.064 0.000 1.077 194 S HN 0.331 nan 8.310 nan 0.000 0.485 195 L N 0.381 121.695 121.223 0.152 0.000 2.275 195 L HA 0.169 4.509 4.340 -0.000 0.000 0.215 195 L C 0.211 177.280 176.870 0.333 0.000 1.119 195 L CA 0.991 55.884 54.840 0.088 0.000 0.790 195 L CB -0.578 41.482 42.059 0.002 0.000 0.919 195 L HN 0.772 nan 8.230 nan 0.000 0.443 196 F N -3.448 116.582 119.950 0.135 0.000 2.693 196 F HA 0.476 5.003 4.527 -0.000 0.000 0.309 196 F C -0.997 174.752 175.800 -0.085 0.000 1.129 196 F CA -1.640 56.389 58.000 0.049 0.000 0.948 196 F CB 0.855 39.893 39.000 0.063 0.000 1.315 196 F HN -0.348 nan 8.300 nan 0.000 0.447 197 N N 2.633 121.378 118.700 0.075 0.000 2.511 197 N HA 0.454 5.194 4.740 -0.000 0.000 0.249 197 N C -2.358 172.908 175.510 -0.406 0.000 0.971 197 N CA -2.493 50.481 53.050 -0.126 0.000 0.938 197 N CB 1.870 40.305 38.487 -0.087 0.000 1.131 197 N HN 0.352 nan 8.380 nan 0.000 0.505 198 P HA 0.005 nan 4.420 nan 0.000 0.230 198 P C 0.460 177.535 177.300 -0.375 0.000 1.158 198 P CA 0.908 63.599 63.100 -0.682 0.000 0.769 198 P CB 0.472 32.100 31.700 -0.119 0.000 0.807 199 E N 0.037 120.107 120.200 -0.217 0.000 2.358 199 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 199 E C 1.620 178.185 176.600 -0.058 0.000 1.010 199 E CA 0.627 56.973 56.400 -0.091 0.000 0.856 199 E CB -0.095 29.569 29.700 -0.059 0.000 0.795 199 E HN 0.575 nan 8.360 nan 0.000 0.504 200 E N 0.381 120.516 120.200 -0.108 0.000 2.479 200 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 200 E C 0.073 176.759 176.600 0.143 0.000 1.049 200 E CA -0.244 56.157 56.400 0.002 0.000 0.870 200 E CB -0.036 29.664 29.700 -0.000 0.000 0.944 200 E HN 0.103 nan 8.360 nan 0.000 0.492 201 F N 2.107 122.066 119.950 0.015 0.000 2.484 201 F HA 0.129 4.656 4.527 -0.000 0.000 0.360 201 F C 0.920 176.717 175.800 -0.005 0.000 1.101 201 F CA -0.998 56.995 58.000 -0.011 0.000 1.251 201 F CB 0.833 39.803 39.000 -0.050 0.000 1.132 201 F HN 0.047 nan 8.300 nan 0.000 0.570 202 M N 6.550 126.261 119.600 0.185 0.000 2.217 202 M HA 0.254 4.733 4.480 -0.000 0.000 0.352 202 M C -2.423 173.927 176.300 0.084 0.000 1.376 202 M CA -1.463 53.895 55.300 0.097 0.000 1.107 202 M CB 0.678 33.309 32.600 0.051 0.000 1.723 202 M HN 0.177 nan 8.290 nan 0.000 0.461 203 P HA 0.057 nan 4.420 nan 0.000 0.269 203 P C -1.148 176.195 177.300 0.072 0.000 1.209 203 P CA -0.432 62.719 63.100 0.085 0.000 0.776 203 P CB 0.430 32.171 31.700 0.068 0.000 0.876 204 L N 3.232 124.525 121.223 0.117 0.000 2.369 204 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 204 L C -0.216 176.677 176.870 0.039 0.000 1.108 204 L CA 0.368 55.255 54.840 0.078 0.000 0.852 204 L CB -0.381 41.776 42.059 0.163 0.000 1.169 204 L HN 0.172 nan 8.230 nan 0.000 0.452 205 D N 7.472 127.875 120.400 0.006 0.000 2.472 205 D HA 0.329 4.969 4.640 -0.000 0.000 0.234 205 D C -1.752 174.557 176.300 0.014 0.000 1.088 205 D CA -2.041 51.966 54.000 0.013 0.000 0.882 205 D CB 1.575 42.381 40.800 0.010 0.000 1.037 205 D HN 0.392 nan 8.370 nan 0.000 0.520 206 P HA -0.155 nan 4.420 nan 0.000 0.218 206 P C 1.163 178.473 177.300 0.017 0.000 1.148 206 P CA 1.084 64.189 63.100 0.009 0.000 0.822 206 P CB -0.180 31.514 31.700 -0.009 0.000 0.784 207 T N -3.330 111.233 114.554 0.016 0.000 3.139 207 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 207 T C 1.441 176.155 174.700 0.023 0.000 1.164 207 T CA 0.858 62.969 62.100 0.018 0.000 1.075 207 T CB -0.775 68.102 68.868 0.015 0.000 0.904 207 T HN 0.292 nan 8.240 nan 0.000 0.540 208 Q N -0.417 119.400 119.800 0.028 0.000 2.189 208 Q HA 0.294 4.634 4.340 -0.000 0.000 0.223 208 Q C -0.217 175.817 176.000 0.056 0.000 0.828 208 Q CA -0.305 55.518 55.803 0.034 0.000 0.967 208 Q CB 0.654 29.407 28.738 0.025 0.000 1.139 208 Q HN 0.420 nan 8.270 nan 0.000 0.497 209 E N 2.523 122.762 120.200 0.065 0.000 2.338 209 E HA 0.134 4.484 4.350 -0.000 0.000 0.272 209 E C -2.364 174.282 176.600 0.077 0.000 1.029 209 E CA -1.937 54.523 56.400 0.099 0.000 0.872 209 E CB 0.572 30.317 29.700 0.076 0.000 1.015 209 E HN -0.085 nan 8.360 nan 0.000 0.417 210 P HA -0.077 nan 4.420 nan 0.000 0.260 210 P C -0.203 177.139 177.300 0.070 0.000 1.172 210 P CA 0.363 63.501 63.100 0.063 0.000 0.760 210 P CB 0.266 32.000 31.700 0.057 0.000 0.773 211 I N 3.521 124.127 120.570 0.059 0.000 2.882 211 I HA 0.128 4.298 4.170 -0.000 0.000 0.286 211 I C 0.329 176.516 176.117 0.117 0.000 1.139 211 I CA -0.593 60.758 61.300 0.085 0.000 1.379 211 I CB 0.333 38.365 38.000 0.052 0.000 1.410 211 I HN 0.129 nan 8.210 nan 0.000 0.594 212 F N 7.639 127.585 119.950 -0.007 0.000 2.529 212 F HA 0.297 4.824 4.527 -0.000 0.000 0.365 212 F C -1.951 173.775 175.800 -0.124 0.000 1.102 212 F CA -2.262 55.717 58.000 -0.036 0.000 1.271 212 F CB -0.082 38.910 39.000 -0.012 0.000 1.120 212 F HN 0.276 nan 8.300 nan 0.000 0.579 213 P HA -0.006 nan 4.420 nan 0.000 0.253 213 P C -2.163 174.731 177.300 -0.677 0.000 1.170 213 P CA -0.431 62.169 63.100 -0.833 0.000 0.806 213 P CB 0.272 31.106 31.700 -1.443 0.000 0.775 214 P HA -0.252 nan 4.420 nan 0.000 0.215 214 P C 1.462 178.629 177.300 -0.223 0.000 1.163 214 P CA 1.380 64.363 63.100 -0.195 0.000 0.894 214 P CB 0.049 31.682 31.700 -0.111 0.000 0.791 215 E N -0.509 119.552 120.200 -0.232 0.000 2.033 215 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 215 E C 1.910 178.361 176.600 -0.249 0.000 1.011 215 E CA 1.149 57.455 56.400 -0.156 0.000 0.815 215 E CB -0.826 28.873 29.700 -0.002 0.000 0.755 215 E HN -0.030 nan 8.360 nan 0.000 0.451 216 L N 0.754 121.659 121.223 -0.529 0.000 2.189 216 L HA -0.167 4.173 4.340 -0.000 0.000 0.214 216 L C 2.231 178.917 176.870 -0.306 0.000 1.097 216 L CA 1.384 55.877 54.840 -0.577 0.000 0.764 216 L CB -0.439 40.920 42.059 -1.165 0.000 0.900 216 L HN 0.348 nan 8.230 nan 0.000 0.436 217 L N -1.080 120.000 121.223 -0.237 0.000 2.240 217 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 217 L C 2.521 179.306 176.870 -0.141 0.000 1.106 217 L CA 1.253 56.057 54.840 -0.060 0.000 0.793 217 L CB -0.482 41.598 42.059 0.035 0.000 0.927 217 L HN 0.203 nan 8.230 nan 0.000 0.446 218 R N -0.812 119.608 120.500 -0.132 0.000 2.115 218 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 218 R C 2.029 178.274 176.300 -0.091 0.000 1.100 218 R CA 1.214 57.251 56.100 -0.105 0.000 0.980 218 R CB -0.386 29.867 30.300 -0.078 0.000 0.875 218 R HN 0.365 nan 8.270 nan 0.000 0.445 219 L N 1.785 122.949 121.223 -0.099 0.000 2.275 219 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 219 L C 2.394 179.265 176.870 0.002 0.000 1.119 219 L CA 1.209 56.021 54.840 -0.047 0.000 0.790 219 L CB -0.758 41.208 42.059 -0.155 0.000 0.919 219 L HN 0.263 nan 8.230 nan 0.000 0.443 220 K N -0.066 120.298 120.400 -0.060 0.000 2.218 220 K HA -0.219 4.100 4.320 -0.000 0.000 0.205 220 K C 1.101 177.680 176.600 -0.035 0.000 1.046 220 K CA 1.723 57.975 56.287 -0.059 0.000 0.933 220 K CB -0.250 32.010 32.500 -0.400 0.000 0.728 220 K HN 0.261 nan 8.250 nan 0.000 0.454 221 D N 1.689 122.055 120.400 -0.056 0.000 2.077 221 D HA -0.061 4.579 4.640 -0.000 0.000 0.196 221 D C 0.713 177.017 176.300 0.005 0.000 0.986 221 D CA 0.766 54.749 54.000 -0.027 0.000 0.829 221 D CB -0.476 40.302 40.800 -0.036 0.000 0.983 221 D HN 0.021 nan 8.370 nan 0.000 0.453 222 V N 3.127 123.053 119.914 0.019 0.000 2.752 222 V HA -0.052 4.068 4.120 -0.000 0.000 0.306 222 V C -2.021 174.090 176.094 0.027 0.000 1.099 222 V CA -0.535 61.786 62.300 0.035 0.000 1.240 222 V CB -0.267 31.596 31.823 0.067 0.000 0.887 222 V HN 0.072 nan 8.190 nan 0.000 0.499 223 P HA 0.296 nan 4.420 nan 0.000 0.276 223 P C -2.494 174.807 177.300 0.001 0.000 1.235 223 P CA -1.192 61.914 63.100 0.010 0.000 0.772 223 P CB -0.057 31.654 31.700 0.019 0.000 0.871 224 P HA 0.085 nan 4.420 nan 0.000 0.264 224 P C -0.231 177.102 177.300 0.054 0.000 1.193 224 P CA 0.281 63.335 63.100 -0.077 0.000 0.763 224 P CB 0.483 32.073 31.700 -0.185 0.000 0.810 225 K N 2.276 122.736 120.400 0.099 0.000 2.221 225 K HA 0.245 4.565 4.320 -0.000 0.000 0.243 225 K C -0.338 176.374 176.600 0.186 0.000 0.968 225 K CA -0.837 55.519 56.287 0.115 0.000 0.846 225 K CB 1.235 33.780 32.500 0.075 0.000 1.141 225 K HN 0.381 nan 8.250 nan 0.000 0.434 226 Q N 3.929 123.791 119.800 0.104 0.000 2.297 226 Q HA 0.180 4.520 4.340 -0.000 0.000 0.267 226 Q C -0.917 175.051 176.000 -0.053 0.000 1.006 226 Q CA -0.222 55.609 55.803 0.047 0.000 0.896 226 Q CB 0.555 29.296 28.738 0.006 0.000 1.186 226 Q HN 0.470 nan 8.270 nan 0.000 0.392 227 L N 3.411 124.536 121.223 -0.162 0.000 2.358 227 L HA 0.681 5.021 4.340 -0.000 0.000 0.268 227 L C 0.039 176.614 176.870 -0.491 0.000 1.032 227 L CA -0.985 53.632 54.840 -0.373 0.000 0.805 227 L CB 1.559 43.292 42.059 -0.543 0.000 1.253 227 L HN 0.642 nan 8.230 nan 0.000 0.452 228 R N 1.065 121.152 120.500 -0.687 0.000 2.548 228 R HA 0.538 4.878 4.340 -0.000 0.000 0.280 228 R C -2.168 173.764 176.300 -0.614 0.000 1.061 228 R CA -0.410 55.383 56.100 -0.512 0.000 0.915 228 R CB 1.755 31.923 30.300 -0.220 0.000 1.210 228 R HN 0.464 nan 8.270 nan 0.000 0.442 229 F N 1.678 121.670 119.950 0.070 0.000 2.563 229 F HA 0.437 4.964 4.527 -0.000 0.000 0.316 229 F C -0.130 175.709 175.800 0.065 0.000 1.076 229 F CA -0.850 57.176 58.000 0.044 0.000 0.921 229 F CB 2.538 41.533 39.000 -0.007 0.000 1.209 229 F HN 0.309 nan 8.300 nan 0.000 0.462 230 E N 1.356 121.697 120.200 0.235 0.000 2.235 230 E HA 0.434 4.784 4.350 -0.000 0.000 0.252 230 E C -0.127 176.548 176.600 0.124 0.000 0.886 230 E CA -0.598 55.891 56.400 0.149 0.000 0.767 230 E CB 1.976 31.735 29.700 0.098 0.000 1.205 230 E HN 0.793 nan 8.360 nan 0.000 0.421 231 G N 1.287 110.157 108.800 0.117 0.000 2.568 231 G HA2 0.022 3.982 3.960 -0.000 0.000 0.293 231 G HA3 0.022 3.982 3.960 -0.000 0.000 0.293 231 G C 0.659 175.606 174.900 0.079 0.000 1.347 231 G CA -0.337 44.815 45.100 0.088 0.000 1.039 231 G HN 0.593 nan 8.290 nan 0.000 0.523 232 E N -0.759 119.486 120.200 0.074 0.000 2.085 232 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 232 E C 2.071 178.710 176.600 0.065 0.000 0.994 232 E CA 1.190 57.635 56.400 0.076 0.000 0.801 232 E CB 0.043 29.804 29.700 0.100 0.000 0.743 232 E HN 0.487 nan 8.360 nan 0.000 0.453 233 R N -1.085 119.454 120.500 0.065 0.000 2.513 233 R HA 0.236 4.576 4.340 -0.000 0.000 0.245 233 R C -0.263 176.074 176.300 0.061 0.000 0.908 233 R CA -0.137 55.995 56.100 0.054 0.000 1.023 233 R CB 1.681 32.007 30.300 0.042 0.000 1.338 233 R HN -0.083 nan 8.270 nan 0.000 0.575 234 V N 0.980 120.944 119.914 0.084 0.000 2.815 234 V HA 0.430 4.550 4.120 -0.000 0.000 0.314 234 V C -0.162 176.008 176.094 0.127 0.000 1.064 234 V CA -0.609 61.755 62.300 0.107 0.000 0.952 234 V CB 2.181 34.093 31.823 0.148 0.000 1.020 234 V HN 0.003 nan 8.190 nan 0.000 0.439 235 T N 2.976 117.599 114.554 0.115 0.000 2.812 235 T HA 0.352 4.702 4.350 -0.000 0.000 0.282 235 T C -1.227 173.575 174.700 0.169 0.000 0.990 235 T CA -0.219 61.954 62.100 0.122 0.000 0.960 235 T CB 1.043 69.925 68.868 0.024 0.000 0.948 235 T HN 0.679 nan 8.240 nan 0.000 0.438 236 W N 5.690 127.023 121.300 0.055 0.000 2.475 236 W HA 0.617 5.277 4.660 -0.000 0.000 0.317 236 W C -1.846 174.644 176.519 -0.048 0.000 1.046 236 W CA -1.468 55.914 57.345 0.060 0.000 1.215 236 W CB 0.531 30.120 29.460 0.214 0.000 1.335 236 W HN 0.528 nan 8.180 nan 0.000 0.471 237 I N 5.823 126.338 120.570 -0.092 0.000 2.420 237 I HA -0.001 4.169 4.170 -0.000 0.000 0.282 237 I C -0.046 175.964 176.117 -0.178 0.000 1.019 237 I CA -0.718 60.514 61.300 -0.113 0.000 1.130 237 I CB 1.703 39.613 38.000 -0.150 0.000 1.262 237 I HN 0.258 nan 8.210 nan 0.000 0.454 238 Q N 5.657 125.403 119.800 -0.090 0.000 2.348 238 Q HA 0.422 4.762 4.340 -0.000 0.000 0.251 238 Q C -0.196 175.637 176.000 -0.279 0.000 1.113 238 Q CA -0.142 55.518 55.803 -0.239 0.000 0.902 238 Q CB 0.938 29.419 28.738 -0.427 0.000 1.333 238 Q HN 0.707 nan 8.270 nan 0.000 0.457 239 A N 2.937 125.633 122.820 -0.206 0.000 2.371 239 A HA 0.392 4.712 4.320 -0.000 0.000 0.257 239 A C 0.758 178.375 177.584 0.055 0.000 1.089 239 A CA 0.234 52.226 52.037 -0.074 0.000 0.794 239 A CB 0.462 19.427 19.000 -0.059 0.000 1.029 239 A HN 0.956 nan 8.150 nan 0.000 0.488 240 S N -0.222 115.573 115.700 0.158 0.000 2.520 240 S HA 0.259 4.729 4.470 -0.000 0.000 0.219 240 S C 0.566 175.278 174.600 0.187 0.000 1.028 240 S CA 0.699 59.086 58.200 0.312 0.000 0.921 240 S CB -0.291 63.097 63.200 0.314 0.000 0.844 240 S HN 1.567 nan 8.310 nan 0.000 0.495 241 T N -1.235 113.384 114.554 0.108 0.000 2.883 241 T HA 0.611 4.961 4.350 -0.000 0.000 0.301 241 T C 0.431 175.157 174.700 0.043 0.000 1.158 241 T CA -0.713 61.430 62.100 0.071 0.000 1.007 241 T CB 1.349 70.249 68.868 0.052 0.000 1.186 241 T HN -0.018 nan 8.240 nan 0.000 0.499 242 L N 1.775 123.017 121.223 0.032 0.000 2.042 242 L HA 0.107 4.447 4.340 -0.000 0.000 0.210 242 L C 2.606 179.480 176.870 0.006 0.000 1.076 242 L CA 2.210 57.059 54.840 0.015 0.000 0.749 242 L CB -0.932 41.132 42.059 0.009 0.000 0.893 242 L HN 0.950 nan 8.230 nan 0.000 0.432 243 K N -0.383 120.022 120.400 0.009 0.000 2.074 243 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 243 K C 1.875 178.476 176.600 0.002 0.000 1.048 243 K CA 2.121 58.410 56.287 0.004 0.000 0.926 243 K CB -0.208 32.295 32.500 0.006 0.000 0.713 243 K HN 0.551 nan 8.250 nan 0.000 0.444 244 E N 0.429 120.634 120.200 0.008 0.000 2.106 244 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 244 E C 2.045 178.640 176.600 -0.008 0.000 0.984 244 E CA 0.992 57.393 56.400 0.003 0.000 0.806 244 E CB -0.137 29.569 29.700 0.011 0.000 0.750 244 E HN 0.247 nan 8.360 nan 0.000 0.458 245 L N 1.153 122.369 121.223 -0.011 0.000 2.017 245 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 245 L C 2.021 178.876 176.870 -0.025 0.000 1.073 245 L CA 1.605 56.429 54.840 -0.026 0.000 0.745 245 L CB -0.339 41.706 42.059 -0.025 0.000 0.894 245 L HN 0.098 nan 8.230 nan 0.000 0.432 246 L N -0.766 120.446 121.223 -0.018 0.000 2.093 246 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 246 L C 2.279 179.138 176.870 -0.018 0.000 1.085 246 L CA 1.197 56.025 54.840 -0.019 0.000 0.755 246 L CB -0.922 41.127 42.059 -0.016 0.000 0.904 246 L HN 0.321 nan 8.230 nan 0.000 0.435 247 D N 0.381 120.773 120.400 -0.014 0.000 2.097 247 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 247 D C 2.440 178.734 176.300 -0.009 0.000 0.984 247 D CA 1.098 55.090 54.000 -0.013 0.000 0.826 247 D CB -0.080 40.716 40.800 -0.007 0.000 0.973 247 D HN 0.248 nan 8.370 nan 0.000 0.460 248 L N 0.814 122.037 121.223 0.000 0.000 2.012 248 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 248 L C 2.489 179.378 176.870 0.031 0.000 1.073 248 L CA 1.122 55.978 54.840 0.028 0.000 0.748 248 L CB -0.302 41.757 42.059 -0.001 0.000 0.891 248 L HN -0.081 nan 8.230 nan 0.000 0.431 249 K N -0.085 120.312 120.400 -0.004 0.000 2.147 249 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 249 K C 2.095 178.681 176.600 -0.023 0.000 1.049 249 K CA 1.369 57.648 56.287 -0.013 0.000 0.936 249 K CB -0.314 32.167 32.500 -0.031 0.000 0.722 249 K HN 0.323 nan 8.250 nan 0.000 0.446 250 A N 1.440 124.240 122.820 -0.032 0.000 1.873 250 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 250 A C 2.088 179.620 177.584 -0.086 0.000 1.186 250 A CA 1.373 53.380 52.037 -0.049 0.000 0.616 250 A CB -0.431 18.543 19.000 -0.043 0.000 0.823 250 A HN 0.415 nan 8.150 nan 0.000 0.442 251 Q N -1.234 118.499 119.800 -0.111 0.000 2.230 251 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 251 Q C -0.171 175.510 176.000 -0.532 0.000 0.963 251 Q CA 0.866 56.512 55.803 -0.262 0.000 0.866 251 Q CB 0.061 28.671 28.738 -0.214 0.000 0.931 251 Q HN 0.719 nan 8.270 nan 0.000 0.452 252 H N -0.986 118.063 119.070 -0.035 0.000 2.607 252 H HA 0.191 4.747 4.556 -0.000 0.000 0.248 252 H C -2.069 173.232 175.328 -0.045 0.000 1.355 252 H CA -1.804 54.222 56.048 -0.036 0.000 1.524 252 H CB 1.526 31.263 29.762 -0.042 0.000 1.563 252 H HN 0.013 nan 8.280 nan 0.000 0.509 253 P HA -0.173 nan 4.420 nan 0.000 0.215 253 P C 1.768 179.067 177.300 -0.002 0.000 1.157 253 P CA 1.148 64.245 63.100 -0.005 0.000 0.863 253 P CB 0.504 32.192 31.700 -0.020 0.000 0.787 254 E N 0.622 120.835 120.200 0.022 0.000 2.265 254 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 254 E C 0.721 177.316 176.600 -0.009 0.000 0.996 254 E CA 0.603 57.012 56.400 0.016 0.000 0.832 254 E CB -1.514 28.214 29.700 0.047 0.000 0.756 254 E HN 0.063 nan 8.360 nan 0.000 0.491 255 A N 2.282 125.100 122.820 -0.003 0.000 2.567 255 A HA 0.084 4.404 4.320 -0.000 0.000 0.240 255 A C 0.224 177.723 177.584 -0.142 0.000 1.053 255 A CA -0.043 51.956 52.037 -0.063 0.000 0.755 255 A CB 0.185 19.149 19.000 -0.060 0.000 0.978 255 A HN -0.010 nan 8.150 nan 0.000 0.507 256 K N 2.184 122.448 120.400 -0.226 0.000 2.144 256 K HA 0.467 4.787 4.320 -0.000 0.000 0.270 256 K C -0.257 176.162 176.600 -0.302 0.000 1.005 256 K CA -0.217 55.866 56.287 -0.340 0.000 0.932 256 K CB 1.089 33.199 32.500 -0.650 0.000 1.021 256 K HN 0.641 nan 8.250 nan 0.000 0.462 257 L N 1.619 122.684 121.223 -0.264 0.000 2.357 257 L HA 0.470 4.810 4.340 -0.000 0.000 0.273 257 L C -0.168 176.555 176.870 -0.244 0.000 1.080 257 L CA -1.070 53.623 54.840 -0.246 0.000 0.803 257 L CB 1.314 43.272 42.059 -0.168 0.000 1.174 257 L HN 0.120 nan 8.230 nan 0.000 0.443 258 V N 3.181 122.931 119.914 -0.274 0.000 2.686 258 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 258 V C 0.211 176.248 176.094 -0.095 0.000 1.065 258 V CA -0.359 61.831 62.300 -0.184 0.000 0.894 258 V CB 2.273 33.947 31.823 -0.248 0.000 1.004 258 V HN 0.639 nan 8.190 nan 0.000 0.424 259 V N 2.990 122.901 119.914 -0.004 0.000 3.671 259 V HA 0.298 4.418 4.120 -0.000 0.000 0.202 259 V C 1.982 178.130 176.094 0.090 0.000 1.188 259 V CA 1.168 63.491 62.300 0.038 0.000 1.325 259 V CB -0.101 31.730 31.823 0.012 0.000 1.470 259 V HN 0.852 nan 8.190 nan 0.000 0.520 260 G N -0.455 108.388 108.800 0.071 0.000 2.623 260 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.214 260 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.214 260 G C 0.793 175.762 174.900 0.115 0.000 1.138 260 G CA 0.867 46.020 45.100 0.090 0.000 0.794 260 G HN 0.646 nan 8.290 nan 0.000 0.535 261 N N -0.313 118.454 118.700 0.113 0.000 2.732 261 N HA -0.246 4.494 4.740 -0.000 0.000 0.250 261 N C 1.438 177.029 175.510 0.134 0.000 1.097 261 N CA 1.877 55.008 53.050 0.135 0.000 0.812 261 N CB -1.641 36.954 38.487 0.181 0.000 1.148 261 N HN 0.394 nan 8.380 nan 0.000 0.572 262 T N -4.218 110.408 114.554 0.121 0.000 3.160 262 T HA 0.088 4.438 4.350 -0.000 0.000 0.257 262 T C 1.241 176.016 174.700 0.125 0.000 1.147 262 T CA 1.256 63.433 62.100 0.128 0.000 1.064 262 T CB 0.307 69.253 68.868 0.130 0.000 0.949 262 T HN 0.392 nan 8.240 nan 0.000 0.526 263 E N 0.479 120.750 120.200 0.118 0.000 2.378 263 E HA 0.255 4.605 4.350 -0.000 0.000 0.200 263 E C 1.804 178.491 176.600 0.146 0.000 0.882 263 E CA -0.168 56.299 56.400 0.112 0.000 1.061 263 E CB -0.251 29.498 29.700 0.081 0.000 1.049 263 E HN 0.241 nan 8.360 nan 0.000 0.494 264 I N 1.451 122.108 120.570 0.145 0.000 2.286 264 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 264 I C 2.248 178.516 176.117 0.252 0.000 1.115 264 I CA 1.686 63.122 61.300 0.227 0.000 1.392 264 I CB -1.550 36.547 38.000 0.163 0.000 1.065 264 I HN 0.300 nan 8.210 nan 0.000 0.418 265 G N 1.196 110.118 108.800 0.203 0.000 2.432 265 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 265 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 265 G C 1.634 176.670 174.900 0.227 0.000 1.135 265 G CA 0.279 45.496 45.100 0.195 0.000 0.767 265 G HN 0.220 nan 8.290 nan 0.000 0.550 266 I N 1.065 121.784 120.570 0.248 0.000 2.286 266 I HA -0.048 4.122 4.170 -0.000 0.000 0.245 266 I C 2.567 178.879 176.117 0.326 0.000 1.104 266 I CA 0.897 62.399 61.300 0.338 0.000 1.397 266 I CB -1.079 37.041 38.000 0.199 0.000 1.072 266 I HN 0.358 nan 8.210 nan 0.000 0.417 267 E N 0.444 120.787 120.200 0.238 0.000 2.110 267 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 267 E C 2.270 178.927 176.600 0.096 0.000 0.988 267 E CA 1.152 57.670 56.400 0.197 0.000 0.804 267 E CB -0.088 29.772 29.700 0.267 0.000 0.745 267 E HN 0.470 nan 8.360 nan 0.000 0.458 268 M N 0.546 120.195 119.600 0.081 0.000 2.160 268 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 268 M C 2.389 178.656 176.300 -0.055 0.000 1.073 268 M CA 1.135 56.409 55.300 -0.044 0.000 1.142 268 M CB -0.124 32.471 32.600 -0.008 0.000 1.358 268 M HN -0.105 nan 8.290 nan 0.000 0.422 269 K N 0.842 121.230 120.400 -0.019 0.000 2.001 269 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 269 K C 1.334 177.737 176.600 -0.329 0.000 1.048 269 K CA 1.954 58.119 56.287 -0.204 0.000 0.932 269 K CB -0.299 32.042 32.500 -0.265 0.000 0.715 269 K HN 0.193 nan 8.250 nan 0.000 0.437 270 F N 0.179 120.141 119.950 0.020 0.000 2.505 270 F HA 0.225 4.752 4.527 -0.000 0.000 0.289 270 F C 1.625 177.436 175.800 0.018 0.000 1.101 270 F CA 0.317 58.335 58.000 0.029 0.000 1.446 270 F CB 0.203 39.240 39.000 0.061 0.000 1.123 270 F HN -0.173 nan 8.300 nan 0.000 0.564 271 K N 0.530 121.042 120.400 0.187 0.000 2.417 271 K HA 0.082 4.402 4.320 -0.000 0.000 0.196 271 K C -0.337 176.272 176.600 0.014 0.000 1.023 271 K CA 0.094 56.449 56.287 0.114 0.000 1.122 271 K CB -0.798 31.777 32.500 0.126 0.000 0.850 271 K HN 0.224 nan 8.250 nan 0.000 0.521 272 N N 2.755 121.410 118.700 -0.075 0.000 2.642 272 N HA -0.176 4.564 4.740 -0.000 0.000 0.269 272 N C -0.780 174.643 175.510 -0.146 0.000 1.073 272 N CA 0.863 53.804 53.050 -0.181 0.000 0.748 272 N CB -0.442 37.897 38.487 -0.247 0.000 0.894 272 N HN 0.271 nan 8.380 nan 0.000 0.548 273 Q N 0.481 120.153 119.800 -0.213 0.000 2.377 273 Q HA 0.589 4.929 4.340 -0.000 0.000 0.271 273 Q C -0.411 175.280 176.000 -0.514 0.000 1.077 273 Q CA -0.744 54.833 55.803 -0.378 0.000 0.820 273 Q CB 2.560 30.981 28.738 -0.528 0.000 1.347 273 Q HN 0.365 nan 8.270 nan 0.000 0.444 274 L N 2.681 123.589 121.223 -0.525 0.000 2.377 274 L HA 0.471 4.811 4.340 -0.000 0.000 0.270 274 L C -1.656 175.019 176.870 -0.326 0.000 0.991 274 L CA -0.148 54.468 54.840 -0.374 0.000 0.851 274 L CB 0.468 42.437 42.059 -0.151 0.000 1.218 274 L HN 0.494 nan 8.230 nan 0.000 0.420 275 F N 7.203 127.162 119.950 0.015 0.000 2.309 275 F HA 0.384 4.911 4.527 -0.000 0.000 0.366 275 F C -0.973 174.827 175.800 -0.000 0.000 1.104 275 F CA -1.494 56.506 58.000 0.000 0.000 1.179 275 F CB 0.820 39.812 39.000 -0.012 0.000 1.437 275 F HN 0.468 nan 8.300 nan 0.000 0.528 276 P HA -0.199 nan 4.420 nan 0.000 0.220 276 P C 0.129 177.459 177.300 0.050 0.000 1.144 276 P CA 1.294 64.438 63.100 0.074 0.000 0.800 276 P CB 0.351 32.083 31.700 0.053 0.000 0.772 277 M N -0.693 118.927 119.600 0.034 0.000 2.213 277 M HA 0.498 4.978 4.480 -0.000 0.000 0.286 277 M C -1.789 174.455 176.300 -0.093 0.000 1.008 277 M CA -0.774 54.493 55.300 -0.054 0.000 0.937 277 M CB 2.004 34.514 32.600 -0.151 0.000 1.600 277 M HN -0.338 nan 8.290 nan 0.000 0.450 278 I N 5.287 125.759 120.570 -0.163 0.000 2.646 278 I HA 0.572 4.742 4.170 -0.000 0.000 0.299 278 I C -0.982 174.828 176.117 -0.512 0.000 1.036 278 I CA -0.841 60.252 61.300 -0.345 0.000 1.074 278 I CB 2.300 40.032 38.000 -0.448 0.000 1.258 278 I HN 0.722 nan 8.210 nan 0.000 0.430 279 I N 4.823 125.086 120.570 -0.511 0.000 2.466 279 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 279 I C -0.815 174.988 176.117 -0.523 0.000 1.026 279 I CA -0.542 60.478 61.300 -0.467 0.000 1.078 279 I CB 2.009 39.850 38.000 -0.264 0.000 1.249 279 I HN 0.507 nan 8.210 nan 0.000 0.429 280 C N 9.013 127.992 119.300 -0.535 0.000 2.239 280 C HA 0.459 4.919 4.460 -0.000 0.000 0.323 280 C C -1.131 173.729 174.990 -0.216 0.000 1.205 280 C CA -1.572 57.235 59.018 -0.352 0.000 1.584 280 C CB 0.431 28.070 27.740 -0.167 0.000 2.201 280 C HN 0.624 nan 8.230 nan 0.000 0.475 281 P HA 0.058 nan 4.420 nan 0.000 0.245 281 P C 1.350 178.650 177.300 -0.000 0.000 1.206 281 P CA 0.921 63.981 63.100 -0.068 0.000 0.781 281 P CB 0.132 31.798 31.700 -0.057 0.000 0.994 282 A N 0.339 123.156 122.820 -0.004 0.000 1.954 282 A HA -0.208 4.112 4.320 -0.000 0.000 0.222 282 A C 2.020 179.753 177.584 0.248 0.000 1.199 282 A CA 1.845 53.936 52.037 0.091 0.000 0.657 282 A CB -1.918 17.143 19.000 0.101 0.000 0.823 282 A HN 0.197 nan 8.150 nan 0.000 0.463 283 W N -0.126 121.210 121.300 0.060 0.000 2.381 283 W HA 0.139 4.799 4.660 -0.000 0.000 0.301 283 W C 0.899 177.435 176.519 0.029 0.000 1.205 283 W CA -0.355 57.023 57.345 0.054 0.000 1.285 283 W CB -1.172 28.327 29.460 0.065 0.000 1.133 283 W HN 0.171 nan 8.180 nan 0.000 0.521 284 I N 4.550 125.268 120.570 0.247 0.000 3.085 284 I HA -0.209 3.961 4.170 -0.000 0.000 0.302 284 I C -0.638 175.533 176.117 0.090 0.000 1.234 284 I CA -0.333 61.048 61.300 0.134 0.000 1.396 284 I CB 0.017 38.065 38.000 0.080 0.000 1.385 284 I HN -0.205 nan 8.210 nan 0.000 0.533 285 P HA -0.203 nan 4.420 nan 0.000 0.216 285 P C 0.964 178.274 177.300 0.016 0.000 1.150 285 P CA 1.528 64.648 63.100 0.032 0.000 0.843 285 P CB 0.239 31.950 31.700 0.018 0.000 0.787 286 E N -0.151 120.057 120.200 0.014 0.000 2.268 286 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 286 E C 1.866 178.465 176.600 -0.001 0.000 0.995 286 E CA 0.650 57.049 56.400 -0.001 0.000 0.836 286 E CB -0.779 28.919 29.700 -0.003 0.000 0.763 286 E HN 0.314 nan 8.360 nan 0.000 0.491 287 L N 0.618 121.848 121.223 0.012 0.000 2.591 287 L HA 0.134 4.474 4.340 -0.000 0.000 0.228 287 L C 0.956 177.835 176.870 0.015 0.000 1.133 287 L CA 0.216 55.062 54.840 0.010 0.000 0.880 287 L CB 0.078 42.146 42.059 0.016 0.000 1.033 287 L HN 0.140 nan 8.230 nan 0.000 0.450 288 N N -0.186 118.522 118.700 0.014 0.000 2.143 288 N HA 0.192 4.932 4.740 -0.000 0.000 0.222 288 N C 0.399 175.909 175.510 -0.001 0.000 1.264 288 N CA 0.004 53.061 53.050 0.012 0.000 0.897 288 N CB 1.331 39.825 38.487 0.012 0.000 1.092 288 N HN 0.095 nan 8.380 nan 0.000 0.516 289 A N 1.139 123.951 122.820 -0.014 0.000 2.407 289 A HA 0.490 4.810 4.320 -0.000 0.000 0.248 289 A C 0.200 177.740 177.584 -0.073 0.000 1.082 289 A CA 0.109 52.122 52.037 -0.040 0.000 0.785 289 A CB 0.630 19.604 19.000 -0.044 0.000 1.020 289 A HN -0.044 nan 8.150 nan 0.000 0.489 290 V N 2.561 122.411 119.914 -0.107 0.000 2.531 290 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 290 V C -0.313 175.687 176.094 -0.156 0.000 1.034 290 V CA -0.398 61.764 62.300 -0.229 0.000 0.865 290 V CB 1.433 33.148 31.823 -0.181 0.000 0.995 290 V HN 1.021 nan 8.190 nan 0.000 0.424 291 E N 2.529 122.586 120.200 -0.238 0.000 2.272 291 E HA 0.477 4.827 4.350 -0.000 0.000 0.269 291 E C -1.202 175.332 176.600 -0.110 0.000 0.877 291 E CA -0.735 55.616 56.400 -0.082 0.000 0.755 291 E CB 2.104 31.744 29.700 -0.101 0.000 1.192 291 E HN 0.748 nan 8.360 nan 0.000 0.422 292 H N 2.016 120.995 119.070 -0.151 0.000 2.700 292 H HA 0.297 4.853 4.556 -0.000 0.000 0.269 292 H C 0.093 175.418 175.328 -0.005 0.000 1.222 292 H CA -0.682 55.318 56.048 -0.080 0.000 1.254 292 H CB 1.033 30.781 29.762 -0.024 0.000 1.413 292 H HN 0.579 nan 8.280 nan 0.000 0.507 293 G N 2.308 111.144 108.800 0.060 0.000 2.535 293 G HA2 0.122 4.082 3.960 -0.000 0.000 0.303 293 G HA3 0.122 4.082 3.960 -0.000 0.000 0.303 293 G C -1.219 173.788 174.900 0.178 0.000 1.237 293 G CA -1.285 43.859 45.100 0.073 0.000 0.986 293 G HN 0.268 nan 8.290 nan 0.000 0.494 294 P HA -0.019 nan 4.420 nan 0.000 0.223 294 P C 0.843 178.273 177.300 0.217 0.000 1.151 294 P CA 0.910 64.099 63.100 0.149 0.000 0.787 294 P CB 0.487 32.223 31.700 0.061 0.000 0.788 295 E N -0.140 120.142 120.200 0.137 0.000 2.318 295 E HA 0.231 4.581 4.350 -0.000 0.000 0.193 295 E C 1.438 178.042 176.600 0.007 0.000 0.998 295 E CA 0.671 57.123 56.400 0.086 0.000 0.859 295 E CB 0.192 29.888 29.700 -0.007 0.000 0.812 295 E HN 0.313 nan 8.360 nan 0.000 0.492 296 G N 0.094 108.778 108.800 -0.194 0.000 2.345 296 G HA2 0.221 4.181 3.960 -0.000 0.000 0.285 296 G HA3 0.221 4.181 3.960 -0.000 0.000 0.285 296 G C -1.400 173.151 174.900 -0.582 0.000 1.297 296 G CA -0.955 43.615 45.100 -0.883 0.000 0.875 296 G HN -0.011 nan 8.290 nan 0.000 0.506 297 I N 1.054 121.280 120.570 -0.573 0.000 2.385 297 I HA 0.539 4.709 4.170 -0.000 0.000 0.294 297 I C 0.461 176.242 176.117 -0.560 0.000 0.988 297 I CA -0.553 60.360 61.300 -0.646 0.000 1.265 297 I CB 1.783 39.246 38.000 -0.895 0.000 1.388 297 I HN 0.394 nan 8.210 nan 0.000 0.480 298 S N 5.699 121.039 115.700 -0.600 0.000 2.472 298 S HA 0.707 5.177 4.470 -0.000 0.000 0.303 298 S C -0.963 173.271 174.600 -0.611 0.000 1.099 298 S CA -0.413 57.530 58.200 -0.428 0.000 1.077 298 S CB 0.528 63.576 63.200 -0.253 0.000 1.031 298 S HN 0.316 nan 8.310 nan 0.000 0.487 299 F N 1.714 121.553 119.950 -0.186 0.000 2.532 299 F HA 0.571 5.098 4.527 -0.000 0.000 0.321 299 F C 1.040 176.762 175.800 -0.130 0.000 1.089 299 F CA -0.752 57.153 58.000 -0.158 0.000 0.926 299 F CB 1.648 40.545 39.000 -0.172 0.000 1.168 299 F HN 0.697 nan 8.300 nan 0.000 0.459 300 G N 0.470 109.314 108.800 0.074 0.000 2.483 300 G HA2 0.381 4.341 3.960 -0.000 0.000 0.248 300 G HA3 0.381 4.341 3.960 -0.000 0.000 0.248 300 G C 0.712 175.625 174.900 0.021 0.000 1.248 300 G CA -0.122 44.991 45.100 0.021 0.000 0.838 300 G HN 0.971 nan 8.290 nan 0.000 0.566 301 A N 1.315 124.132 122.820 -0.005 0.000 2.259 301 A HA 0.256 4.576 4.320 -0.000 0.000 0.212 301 A C 2.241 179.817 177.584 -0.014 0.000 1.178 301 A CA 1.919 53.947 52.037 -0.015 0.000 0.734 301 A CB -0.123 18.866 19.000 -0.017 0.000 0.774 301 A HN 1.223 nan 8.150 nan 0.000 0.481 302 A N -1.748 121.068 122.820 -0.006 0.000 2.343 302 A HA 0.306 4.626 4.320 -0.000 0.000 0.223 302 A C 0.830 178.400 177.584 -0.024 0.000 1.214 302 A CA -0.015 52.018 52.037 -0.007 0.000 0.900 302 A CB -0.554 18.454 19.000 0.013 0.000 0.942 302 A HN 0.420 nan 8.150 nan 0.000 0.507 303 C N 1.721 121.007 119.300 -0.023 0.000 2.611 303 C HA 0.414 4.874 4.460 -0.000 0.000 0.416 303 C C 1.337 176.259 174.990 -0.114 0.000 1.366 303 C CA -0.263 58.727 59.018 -0.046 0.000 1.761 303 C CB -0.923 26.827 27.740 0.016 0.000 2.619 303 C HN 0.624 nan 8.230 nan 0.000 0.606 304 A N 4.149 126.879 122.820 -0.150 0.000 2.340 304 A HA 0.456 4.776 4.320 -0.000 0.000 0.268 304 A C 1.115 178.550 177.584 -0.248 0.000 1.100 304 A CA -0.499 51.422 52.037 -0.194 0.000 0.803 304 A CB 0.195 19.056 19.000 -0.232 0.000 1.043 304 A HN 0.943 nan 8.150 nan 0.000 0.488 305 L N 2.049 123.100 121.223 -0.286 0.000 2.051 305 L HA -0.287 4.053 4.340 -0.000 0.000 0.214 305 L C 2.856 179.529 176.870 -0.328 0.000 1.076 305 L CA 2.103 56.721 54.840 -0.369 0.000 0.758 305 L CB -0.845 40.905 42.059 -0.515 0.000 0.890 305 L HN 0.958 nan 8.230 nan 0.000 0.433 306 S N -1.116 114.421 115.700 -0.272 0.000 2.400 306 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 306 S C 2.046 176.524 174.600 -0.203 0.000 1.025 306 S CA 1.517 59.583 58.200 -0.223 0.000 0.993 306 S CB -0.456 62.629 63.200 -0.192 0.000 0.808 306 S HN 0.378 nan 8.310 nan 0.000 0.478 307 S N 1.527 117.103 115.700 -0.208 0.000 2.345 307 S HA 0.014 4.484 4.470 -0.000 0.000 0.219 307 S C 2.051 176.555 174.600 -0.161 0.000 1.031 307 S CA 1.117 59.228 58.200 -0.149 0.000 0.984 307 S CB -0.658 62.473 63.200 -0.116 0.000 0.874 307 S HN 0.428 nan 8.310 nan 0.000 0.451 308 V N 2.122 121.828 119.914 -0.345 0.000 2.282 308 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 308 V C 2.483 178.339 176.094 -0.396 0.000 1.057 308 V CA 2.157 64.044 62.300 -0.688 0.000 1.032 308 V CB -0.713 30.562 31.823 -0.913 0.000 0.645 308 V HN 0.533 nan 8.190 nan 0.000 0.447 309 E N 0.423 120.441 120.200 -0.304 0.000 2.038 309 E HA -0.312 4.038 4.350 -0.000 0.000 0.195 309 E C 2.361 178.872 176.600 -0.149 0.000 1.000 309 E CA 1.917 58.185 56.400 -0.219 0.000 0.803 309 E CB -0.186 29.388 29.700 -0.210 0.000 0.750 309 E HN 0.586 nan 8.360 nan 0.000 0.448 310 K N -0.334 119.992 120.400 -0.124 0.000 2.032 310 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 310 K C 2.060 178.637 176.600 -0.038 0.000 1.048 310 K CA 2.042 58.284 56.287 -0.076 0.000 0.927 310 K CB -0.177 32.282 32.500 -0.069 0.000 0.712 310 K HN 0.137 nan 8.250 nan 0.000 0.441 311 T N 1.909 116.463 114.554 0.000 0.000 2.674 311 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 311 T C 1.808 176.494 174.700 -0.023 0.000 1.039 311 T CA 1.226 63.362 62.100 0.060 0.000 1.150 311 T CB -0.242 68.783 68.868 0.261 0.000 0.864 311 T HN 0.062 nan 8.240 nan 0.000 0.427 312 L N 0.739 121.907 121.223 -0.092 0.000 2.042 312 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 312 L C 2.399 179.214 176.870 -0.092 0.000 1.076 312 L CA 1.393 56.103 54.840 -0.216 0.000 0.749 312 L CB -1.020 40.893 42.059 -0.243 0.000 0.893 312 L HN 0.271 nan 8.230 nan 0.000 0.432 313 L N -1.136 120.052 121.223 -0.057 0.000 2.046 313 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 313 L C 2.437 179.312 176.870 0.008 0.000 1.077 313 L CA 1.318 56.147 54.840 -0.019 0.000 0.747 313 L CB -0.494 41.544 42.059 -0.034 0.000 0.896 313 L HN 0.357 nan 8.230 nan 0.000 0.432 314 E N -0.010 120.193 120.200 0.005 0.000 2.106 314 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 314 E C 2.316 178.951 176.600 0.058 0.000 0.984 314 E CA 0.998 57.414 56.400 0.026 0.000 0.806 314 E CB -0.166 29.548 29.700 0.024 0.000 0.750 314 E HN 0.493 nan 8.360 nan 0.000 0.458 315 A N 1.066 123.921 122.820 0.059 0.000 1.902 315 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 315 A C 2.489 180.188 177.584 0.190 0.000 1.181 315 A CA 1.143 53.259 52.037 0.132 0.000 0.623 315 A CB -0.613 18.404 19.000 0.027 0.000 0.818 315 A HN 0.119 nan 8.150 nan 0.000 0.443 316 V N -0.349 119.660 119.914 0.159 0.000 2.427 316 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 316 V C 2.954 179.111 176.094 0.105 0.000 1.051 316 V CA 1.790 64.188 62.300 0.163 0.000 1.048 316 V CB -1.019 30.883 31.823 0.131 0.000 0.666 316 V HN 0.608 nan 8.190 nan 0.000 0.456 317 A N -0.541 122.324 122.820 0.076 0.000 1.968 317 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 317 A C 2.199 179.813 177.584 0.051 0.000 1.169 317 A CA 1.494 53.563 52.037 0.054 0.000 0.638 317 A CB -0.238 18.785 19.000 0.037 0.000 0.812 317 A HN 0.439 nan 8.150 nan 0.000 0.446 318 K N -0.631 119.806 120.400 0.062 0.000 2.202 318 K HA 0.327 4.647 4.320 -0.000 0.000 0.201 318 K C 0.462 177.091 176.600 0.049 0.000 1.051 318 K CA 0.322 56.639 56.287 0.050 0.000 0.977 318 K CB -0.206 32.324 32.500 0.050 0.000 0.792 318 K HN 0.443 nan 8.250 nan 0.000 0.469 319 L N 1.859 123.128 121.223 0.077 0.000 2.421 319 L HA 0.323 4.663 4.340 -0.000 0.000 0.263 319 L C -2.100 174.791 176.870 0.035 0.000 1.122 319 L CA -2.351 52.517 54.840 0.047 0.000 0.804 319 L CB 0.317 42.423 42.059 0.079 0.000 1.150 319 L HN -0.119 nan 8.230 nan 0.000 0.457 320 P HA 0.044 nan 4.420 nan 0.000 0.269 320 P C 0.522 177.830 177.300 0.013 0.000 1.209 320 P CA -0.086 63.014 63.100 0.000 0.000 0.776 320 P CB 0.532 32.217 31.700 -0.025 0.000 0.876 321 T N 0.437 115.008 114.554 0.029 0.000 2.737 321 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 321 T C 1.624 176.345 174.700 0.034 0.000 1.040 321 T CA 1.480 63.607 62.100 0.045 0.000 1.142 321 T CB -0.413 68.488 68.868 0.055 0.000 0.861 321 T HN 0.429 nan 8.240 nan 0.000 0.456 322 Q N 0.919 120.728 119.800 0.016 0.000 2.291 322 Q HA 0.043 4.383 4.340 -0.000 0.000 0.205 322 Q C 1.883 177.842 176.000 -0.068 0.000 0.970 322 Q CA 1.355 57.154 55.803 -0.007 0.000 0.876 322 Q CB -0.112 28.618 28.738 -0.013 0.000 0.935 322 Q HN 0.452 nan 8.270 nan 0.000 0.455 323 K N -1.282 119.069 120.400 -0.082 0.000 2.379 323 K HA 0.061 4.381 4.320 -0.000 0.000 0.194 323 K C 0.985 177.469 176.600 -0.193 0.000 1.031 323 K CA 1.073 57.279 56.287 -0.135 0.000 1.037 323 K CB 0.557 32.943 32.500 -0.191 0.000 0.824 323 K HN 0.253 nan 8.250 nan 0.000 0.516 324 T N -1.886 112.594 114.554 -0.123 0.000 3.176 324 T HA 0.173 4.523 4.350 -0.000 0.000 0.263 324 T C 1.073 175.707 174.700 -0.110 0.000 1.021 324 T CA -0.288 61.727 62.100 -0.143 0.000 0.905 324 T CB 0.335 69.300 68.868 0.161 0.000 1.057 324 T HN -0.086 nan 8.240 nan 0.000 0.558 325 E N 1.347 121.475 120.200 -0.120 0.000 2.085 325 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 325 E C 2.090 178.643 176.600 -0.079 0.000 0.994 325 E CA 1.033 57.426 56.400 -0.013 0.000 0.801 325 E CB -0.214 29.511 29.700 0.041 0.000 0.743 325 E HN 0.461 nan 8.360 nan 0.000 0.453 326 V N 0.964 120.676 119.914 -0.337 0.000 2.591 326 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 326 V C 2.061 178.028 176.094 -0.212 0.000 1.053 326 V CA 0.948 62.872 62.300 -0.628 0.000 1.068 326 V CB -0.500 30.910 31.823 -0.688 0.000 0.689 326 V HN 0.082 nan 8.190 nan 0.000 0.462 327 F N 1.093 120.952 119.950 -0.151 0.000 2.075 327 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 327 F C 2.558 178.322 175.800 -0.060 0.000 1.113 327 F CA 1.398 59.349 58.000 -0.081 0.000 1.218 327 F CB -1.140 37.851 39.000 -0.015 0.000 0.984 327 F HN 0.056 nan 8.300 nan 0.000 0.472 328 R N 0.111 120.720 120.500 0.182 0.000 2.159 328 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 328 R C 2.473 178.822 176.300 0.082 0.000 1.131 328 R CA 1.073 57.242 56.100 0.116 0.000 0.982 328 R CB -1.090 29.277 30.300 0.112 0.000 0.868 328 R HN 0.378 nan 8.270 nan 0.000 0.453 329 G N -0.780 108.062 108.800 0.070 0.000 2.394 329 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.214 329 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.214 329 G C 1.371 176.282 174.900 0.019 0.000 1.176 329 G CA 0.692 45.851 45.100 0.099 0.000 0.786 329 G HN 0.177 nan 8.290 nan 0.000 0.533 330 V N 1.171 121.068 119.914 -0.027 0.000 2.343 330 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 330 V C 2.920 178.979 176.094 -0.058 0.000 1.051 330 V CA 1.362 63.619 62.300 -0.072 0.000 1.036 330 V CB -0.472 31.317 31.823 -0.058 0.000 0.654 330 V HN 0.327 nan 8.190 nan 0.000 0.451 331 L N -0.512 120.693 121.223 -0.032 0.000 2.079 331 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 331 L C 2.734 179.584 176.870 -0.034 0.000 1.081 331 L CA 1.410 56.222 54.840 -0.046 0.000 0.752 331 L CB -0.623 41.426 42.059 -0.016 0.000 0.896 331 L HN 0.310 nan 8.230 nan 0.000 0.433 332 E N -0.204 120.007 120.200 0.019 0.000 2.153 332 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 332 E C 2.255 178.923 176.600 0.113 0.000 0.988 332 E CA 0.935 57.385 56.400 0.083 0.000 0.811 332 E CB 0.066 29.827 29.700 0.102 0.000 0.746 332 E HN 0.493 nan 8.360 nan 0.000 0.466 333 Q N 0.104 119.939 119.800 0.059 0.000 2.033 333 Q HA 0.000 4.340 4.340 -0.000 0.000 0.196 333 Q C 2.540 178.616 176.000 0.127 0.000 0.970 333 Q CA 0.543 56.408 55.803 0.102 0.000 0.828 333 Q CB -0.439 28.321 28.738 0.035 0.000 0.895 333 Q HN 0.323 nan 8.270 nan 0.000 0.440 334 L N 0.816 122.052 121.223 0.021 0.000 2.349 334 L HA -0.159 4.181 4.340 -0.000 0.000 0.220 334 L C 2.592 179.398 176.870 -0.107 0.000 1.130 334 L CA 0.786 55.594 54.840 -0.053 0.000 0.791 334 L CB -0.380 41.566 42.059 -0.189 0.000 0.918 334 L HN 0.204 nan 8.230 nan 0.000 0.444 335 R N -0.096 120.283 120.500 -0.202 0.000 2.115 335 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 335 R C 0.756 176.559 176.300 -0.828 0.000 1.111 335 R CA 1.498 57.253 56.100 -0.576 0.000 0.976 335 R CB 0.043 29.917 30.300 -0.710 0.000 0.870 335 R HN 0.379 nan 8.270 nan 0.000 0.445 336 W N -0.962 120.367 121.300 0.047 0.000 2.506 336 W HA 0.270 4.930 4.660 -0.000 0.000 0.394 336 W C -0.707 175.855 176.519 0.072 0.000 0.920 336 W CA -0.901 56.458 57.345 0.022 0.000 2.221 336 W CB 0.104 29.545 29.460 -0.032 0.000 1.197 336 W HN -0.130 nan 8.180 nan 0.000 0.627 337 F N 1.905 121.875 119.950 0.033 0.000 2.390 337 F HA 0.592 5.119 4.527 -0.000 0.000 0.361 337 F C 1.249 177.052 175.800 0.005 0.000 1.124 337 F CA -0.180 57.829 58.000 0.015 0.000 1.149 337 F CB 0.271 39.250 39.000 -0.035 0.000 1.160 337 F HN 0.124 nan 8.300 nan 0.000 0.501 338 A N 3.965 126.958 122.820 0.288 0.000 5.568 338 A HA -0.082 4.238 4.320 -0.000 0.000 0.322 338 A C 0.711 178.398 177.584 0.171 0.000 1.802 338 A CA 1.202 53.377 52.037 0.231 0.000 0.727 338 A CB -1.838 17.357 19.000 0.324 0.000 1.362 338 A HN 1.401 nan 8.150 nan 0.000 0.396 339 G N -3.706 105.175 108.800 0.136 0.000 3.135 339 G HA2 0.533 4.493 3.960 -0.000 0.000 0.278 339 G HA3 0.533 4.493 3.960 -0.000 0.000 0.278 339 G C 0.321 175.239 174.900 0.030 0.000 1.302 339 G CA 0.465 45.608 45.100 0.073 0.000 0.880 339 G HN 0.624 nan 8.290 nan 0.000 0.574 340 K N -0.408 119.987 120.400 -0.007 0.000 2.057 340 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 340 K C 2.559 179.171 176.600 0.019 0.000 1.050 340 K CA 1.241 57.510 56.287 -0.029 0.000 0.935 340 K CB -0.335 32.122 32.500 -0.072 0.000 0.715 340 K HN 0.435 nan 8.250 nan 0.000 0.439 341 Q N 0.425 120.257 119.800 0.053 0.000 2.096 341 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 341 Q C 2.154 178.213 176.000 0.098 0.000 0.982 341 Q CA 1.209 57.067 55.803 0.092 0.000 0.850 341 Q CB -0.319 28.480 28.738 0.102 0.000 0.901 341 Q HN 0.023 nan 8.270 nan 0.000 0.422 342 V N 0.509 120.478 119.914 0.092 0.000 2.535 342 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 342 V C 1.752 177.868 176.094 0.037 0.000 1.045 342 V CA 1.401 63.762 62.300 0.101 0.000 1.058 342 V CB -0.292 31.625 31.823 0.158 0.000 0.689 342 V HN 0.282 nan 8.190 nan 0.000 0.461 343 K N 0.111 120.500 120.400 -0.019 0.000 2.365 343 K HA -0.016 4.304 4.320 -0.000 0.000 0.199 343 K C 2.108 178.621 176.600 -0.145 0.000 1.045 343 K CA 1.066 57.267 56.287 -0.144 0.000 0.962 343 K CB -0.069 32.319 32.500 -0.186 0.000 0.759 343 K HN 0.342 nan 8.250 nan 0.000 0.469 344 S N 0.437 116.090 115.700 -0.079 0.000 2.527 344 S HA -0.042 4.428 4.470 -0.000 0.000 0.222 344 S C 1.754 176.238 174.600 -0.194 0.000 0.985 344 S CA 0.785 58.900 58.200 -0.141 0.000 0.921 344 S CB 0.348 63.569 63.200 0.034 0.000 0.772 344 S HN 0.304 nan 8.310 nan 0.000 0.529 345 V N -2.148 117.732 119.914 -0.057 0.000 3.473 345 V HA 0.593 4.713 4.120 -0.000 0.000 0.253 345 V C 0.658 176.741 176.094 -0.018 0.000 1.340 345 V CA 0.082 62.373 62.300 -0.015 0.000 1.103 345 V CB -0.594 31.288 31.823 0.098 0.000 0.881 345 V HN 0.235 nan 8.190 nan 0.000 0.451 346 A N 2.624 125.430 122.820 -0.022 0.000 2.520 346 A HA 0.576 4.896 4.320 -0.000 0.000 0.245 346 A C 0.681 178.224 177.584 -0.069 0.000 1.072 346 A CA 0.766 52.794 52.037 -0.014 0.000 0.761 346 A CB -0.306 18.698 19.000 0.006 0.000 1.004 346 A HN 1.149 nan 8.150 nan 0.000 0.499 347 S N 2.709 118.389 115.700 -0.033 0.000 2.578 347 S HA 0.430 4.900 4.470 -0.000 0.000 0.283 347 S C 0.982 175.556 174.600 -0.043 0.000 1.195 347 S CA -0.457 57.713 58.200 -0.050 0.000 1.050 347 S CB 1.158 64.344 63.200 -0.023 0.000 1.012 347 S HN 0.836 nan 8.310 nan 0.000 0.511 348 L N 2.561 123.741 121.223 -0.072 0.000 1.989 348 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 348 L C 2.434 179.314 176.870 0.017 0.000 1.071 348 L CA 2.177 56.989 54.840 -0.047 0.000 0.749 348 L CB -1.234 40.759 42.059 -0.110 0.000 0.890 348 L HN 0.981 nan 8.230 nan 0.000 0.431 349 G N -0.993 107.806 108.800 -0.002 0.000 2.446 349 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.217 349 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.217 349 G C 1.473 176.402 174.900 0.048 0.000 1.168 349 G CA 0.687 45.798 45.100 0.019 0.000 0.771 349 G HN 0.587 nan 8.290 nan 0.000 0.551 350 G N 0.846 109.667 108.800 0.034 0.000 2.469 350 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 350 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 350 G C 1.685 176.634 174.900 0.082 0.000 1.150 350 G CA 1.394 46.521 45.100 0.045 0.000 0.763 350 G HN 0.560 nan 8.290 nan 0.000 0.561 351 N N 0.260 119.029 118.700 0.115 0.000 2.106 351 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 351 N C 2.234 177.846 175.510 0.170 0.000 1.029 351 N CA 1.188 54.334 53.050 0.160 0.000 0.848 351 N CB -0.192 38.429 38.487 0.223 0.000 1.007 351 N HN 0.418 nan 8.380 nan 0.000 0.423 352 I N 0.454 121.151 120.570 0.212 0.000 2.099 352 I HA -0.254 3.916 4.170 -0.000 0.000 0.239 352 I C 1.719 178.022 176.117 0.310 0.000 1.066 352 I CA 0.859 62.335 61.300 0.295 0.000 1.324 352 I CB -0.415 37.745 38.000 0.266 0.000 1.037 352 I HN 0.203 nan 8.210 nan 0.000 0.401 353 I N 0.636 121.338 120.570 0.220 0.000 2.454 353 I HA -0.203 3.966 4.170 -0.000 0.000 0.254 353 I C 2.570 178.745 176.117 0.097 0.000 1.156 353 I CA 1.573 62.977 61.300 0.173 0.000 1.433 353 I CB -1.798 36.255 38.000 0.087 0.000 1.082 353 I HN 0.279 nan 8.210 nan 0.000 0.432 354 T N 1.350 115.943 114.554 0.066 0.000 2.803 354 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 354 T C 1.231 175.917 174.700 -0.023 0.000 1.052 354 T CA 1.171 63.277 62.100 0.011 0.000 1.136 354 T CB -0.351 68.528 68.868 0.019 0.000 0.864 354 T HN 0.581 nan 8.240 nan 0.000 0.467 355 A N 1.541 124.365 122.820 0.006 0.000 2.519 355 A HA -0.125 4.195 4.320 -0.000 0.000 0.297 355 A C 0.789 178.267 177.584 -0.177 0.000 1.472 355 A CA 0.637 52.612 52.037 -0.104 0.000 0.739 355 A CB -2.009 16.990 19.000 -0.002 0.000 1.096 355 A HN 0.489 nan 8.150 nan 0.000 0.414 356 S N 0.406 116.028 115.700 -0.130 0.000 2.499 356 S HA 0.540 5.010 4.470 -0.000 0.000 0.275 356 S C -0.541 174.003 174.600 -0.092 0.000 1.257 356 S CA -1.011 57.134 58.200 -0.092 0.000 1.050 356 S CB 0.704 63.873 63.200 -0.050 0.000 0.937 356 S HN 0.309 nan 8.310 nan 0.000 0.490 357 P HA -0.133 nan 4.420 nan 0.000 0.218 357 P C 0.523 177.812 177.300 -0.019 0.000 1.146 357 P CA 1.125 64.230 63.100 0.008 0.000 0.820 357 P CB -0.140 31.625 31.700 0.108 0.000 0.778 358 I N -5.600 114.955 120.570 -0.024 0.000 3.736 358 I HA 0.286 4.456 4.170 -0.000 0.000 0.338 358 I C 0.387 176.462 176.117 -0.071 0.000 1.558 358 I CA -0.912 60.367 61.300 -0.035 0.000 1.147 358 I CB -0.512 37.473 38.000 -0.025 0.000 1.275 358 I HN -0.286 nan 8.210 nan 0.000 0.454 359 S N 0.805 116.454 115.700 -0.086 0.000 2.562 359 S HA 0.095 4.565 4.470 -0.000 0.000 0.281 359 S C 0.845 175.389 174.600 -0.093 0.000 1.333 359 S CA 0.011 58.154 58.200 -0.095 0.000 1.052 359 S CB 0.435 63.585 63.200 -0.084 0.000 0.884 359 S HN 0.465 nan 8.310 nan 0.000 0.506 360 D N 3.440 123.774 120.400 -0.109 0.000 2.346 360 D HA 0.109 4.749 4.640 -0.000 0.000 0.206 360 D C 1.544 177.787 176.300 -0.095 0.000 1.001 360 D CA 0.505 54.454 54.000 -0.085 0.000 0.871 360 D CB 0.223 40.968 40.800 -0.092 0.000 0.943 360 D HN 0.497 nan 8.370 nan 0.000 0.518 361 L N 0.462 121.622 121.223 -0.104 0.000 2.200 361 L HA 0.019 4.359 4.340 -0.000 0.000 0.200 361 L C 2.095 178.685 176.870 -0.467 0.000 1.072 361 L CA 0.266 54.882 54.840 -0.374 0.000 0.787 361 L CB -0.307 41.556 42.059 -0.326 0.000 0.957 361 L HN -0.142 nan 8.230 nan 0.000 0.459 362 N N 0.664 119.295 118.700 -0.116 0.000 2.060 362 N HA -0.188 4.552 4.740 -0.000 0.000 0.195 362 N C -0.748 174.805 175.510 0.072 0.000 1.028 362 N CA 1.789 54.895 53.050 0.094 0.000 0.861 362 N CB -1.555 36.958 38.487 0.044 0.000 1.029 362 N HN 0.203 nan 8.380 nan 0.000 0.428 363 P HA -0.089 nan 4.420 nan 0.000 0.216 363 P C 1.789 179.094 177.300 0.009 0.000 1.153 363 P CA 0.824 63.924 63.100 -0.000 0.000 0.858 363 P CB 0.073 31.737 31.700 -0.061 0.000 0.789 364 V N -1.532 118.343 119.914 -0.065 0.000 2.358 364 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 364 V C 2.131 178.307 176.094 0.137 0.000 1.047 364 V CA 1.663 63.998 62.300 0.059 0.000 1.035 364 V CB -1.326 30.426 31.823 -0.119 0.000 0.658 364 V HN 0.079 nan 8.190 nan 0.000 0.452 365 F N -0.977 119.013 119.950 0.068 0.000 2.216 365 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 365 F C 2.441 178.260 175.800 0.030 0.000 1.085 365 F CA 1.562 59.571 58.000 0.015 0.000 1.326 365 F CB -0.160 38.842 39.000 0.002 0.000 1.027 365 F HN 0.134 nan 8.300 nan 0.000 0.497 366 M N 0.132 119.893 119.600 0.269 0.000 2.193 366 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 366 M C 2.280 178.680 176.300 0.167 0.000 1.071 366 M CA 1.467 56.886 55.300 0.197 0.000 1.140 366 M CB -0.124 32.623 32.600 0.246 0.000 1.369 366 M HN 0.084 nan 8.290 nan 0.000 0.423 367 A N -0.235 122.698 122.820 0.187 0.000 2.172 367 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 367 A C 1.862 179.614 177.584 0.280 0.000 1.154 367 A CA 1.630 53.776 52.037 0.180 0.000 0.701 367 A CB -0.590 18.459 19.000 0.081 0.000 0.789 367 A HN 0.678 nan 8.150 nan 0.000 0.465 368 S N -2.534 113.313 115.700 0.245 0.000 2.603 368 S HA 0.417 4.887 4.470 -0.000 0.000 0.232 368 S C 1.157 175.780 174.600 0.039 0.000 1.016 368 S CA 0.737 59.010 58.200 0.121 0.000 0.976 368 S CB -0.261 62.895 63.200 -0.073 0.000 0.921 368 S HN 1.735 nan 8.310 nan 0.000 0.516 369 G N 2.241 111.072 108.800 0.051 0.000 2.356 369 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.296 369 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.296 369 G C 0.087 174.952 174.900 -0.058 0.000 1.022 369 G CA 0.424 45.520 45.100 -0.007 0.000 0.961 369 G HN 0.583 nan 8.290 nan 0.000 0.510 370 T N 1.561 116.078 114.554 -0.063 0.000 2.866 370 T HA 0.183 4.533 4.350 -0.000 0.000 0.293 370 T C 0.959 175.537 174.700 -0.202 0.000 1.005 370 T CA 0.275 62.288 62.100 -0.145 0.000 1.162 370 T CB 0.659 69.388 68.868 -0.231 0.000 0.968 370 T HN 0.314 nan 8.240 nan 0.000 0.530 371 K N 4.254 124.546 120.400 -0.180 0.000 2.412 371 K HA 0.173 4.493 4.320 -0.000 0.000 0.284 371 K C -0.189 176.289 176.600 -0.203 0.000 1.046 371 K CA 0.044 56.230 56.287 -0.169 0.000 0.999 371 K CB 0.401 32.823 32.500 -0.130 0.000 0.941 371 K HN 0.540 nan 8.250 nan 0.000 0.474 372 L N 3.058 124.156 121.223 -0.209 0.000 2.280 372 L HA 0.240 4.580 4.340 -0.000 0.000 0.287 372 L C 0.133 176.932 176.870 -0.118 0.000 1.023 372 L CA -0.634 54.086 54.840 -0.201 0.000 0.819 372 L CB 1.316 43.201 42.059 -0.290 0.000 1.212 372 L HN 0.418 nan 8.230 nan 0.000 0.420 373 T N 4.658 119.156 114.554 -0.094 0.000 2.811 373 T HA 0.480 4.830 4.350 -0.000 0.000 0.309 373 T C 0.223 174.901 174.700 -0.037 0.000 1.005 373 T CA -0.151 61.913 62.100 -0.061 0.000 0.955 373 T CB 0.070 68.902 68.868 -0.061 0.000 0.970 373 T HN 0.274 nan 8.240 nan 0.000 0.496 374 I N 3.977 124.536 120.570 -0.019 0.000 2.396 374 I HA 0.570 4.740 4.170 -0.000 0.000 0.292 374 I C 0.390 176.500 176.117 -0.011 0.000 0.999 374 I CA -0.821 60.478 61.300 -0.002 0.000 1.310 374 I CB 1.250 39.264 38.000 0.024 0.000 1.404 374 I HN 0.347 nan 8.210 nan 0.000 0.496 375 V N 2.240 122.146 119.914 -0.013 0.000 3.167 375 V HA 0.970 5.090 4.120 -0.000 0.000 0.310 375 V C -0.527 175.556 176.094 -0.018 0.000 1.207 375 V CA -0.514 61.776 62.300 -0.017 0.000 1.059 375 V CB 1.915 33.727 31.823 -0.018 0.000 1.079 375 V HN 0.877 nan 8.190 nan 0.000 0.446 376 S N 0.591 116.280 115.700 -0.019 0.000 2.578 376 S HA 0.475 4.945 4.470 -0.000 0.000 0.272 376 S C -0.703 173.885 174.600 -0.020 0.000 1.145 376 S CA -0.728 57.459 58.200 -0.021 0.000 0.835 376 S CB 1.578 64.764 63.200 -0.024 0.000 1.104 376 S HN 1.363 nan 8.310 nan 0.000 0.458 377 R N 0.883 121.371 120.500 -0.020 0.000 2.549 377 R HA 0.350 4.690 4.340 -0.000 0.000 0.336 377 R C 1.533 177.822 176.300 -0.018 0.000 0.891 377 R CA 1.983 58.072 56.100 -0.018 0.000 1.102 377 R CB -1.046 29.242 30.300 -0.020 0.000 0.899 377 R HN 1.728 nan 8.270 nan 0.000 0.407 378 G N 2.508 111.298 108.800 -0.016 0.000 2.729 378 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.216 378 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.216 378 G C 0.217 175.107 174.900 -0.016 0.000 1.252 378 G CA 0.231 45.322 45.100 -0.015 0.000 0.751 378 G HN 0.827 nan 8.290 nan 0.000 0.527 379 T N -1.697 112.847 114.554 -0.017 0.000 2.874 379 T HA 0.663 5.013 4.350 -0.000 0.000 0.281 379 T C 0.019 174.709 174.700 -0.017 0.000 0.994 379 T CA 0.627 62.717 62.100 -0.017 0.000 1.015 379 T CB 2.089 70.946 68.868 -0.018 0.000 1.028 379 T HN 1.287 nan 8.240 nan 0.000 0.523 380 R N 0.923 121.413 120.500 -0.017 0.000 3.325 380 R HA 0.269 4.609 4.340 -0.000 0.000 0.296 380 R C -1.021 175.267 176.300 -0.019 0.000 1.157 380 R CA -0.663 55.426 56.100 -0.018 0.000 1.156 380 R CB 0.791 31.079 30.300 -0.019 0.000 1.293 380 R HN 1.047 nan 8.270 nan 0.000 0.405 381 R N 1.460 121.948 120.500 -0.019 0.000 2.888 381 R HA 0.670 5.010 4.340 -0.000 0.000 0.266 381 R C -1.349 174.936 176.300 -0.026 0.000 1.020 381 R CA -0.928 55.160 56.100 -0.020 0.000 0.963 381 R CB 2.374 32.665 30.300 -0.015 0.000 1.197 381 R HN 0.290 nan 8.270 nan 0.000 0.481 382 T N 1.661 116.196 114.554 -0.033 0.000 2.906 382 T HA 0.362 4.712 4.350 -0.000 0.000 0.302 382 T C -0.759 173.910 174.700 -0.052 0.000 1.002 382 T CA -0.689 61.382 62.100 -0.048 0.000 0.988 382 T CB 1.232 70.067 68.868 -0.054 0.000 0.972 382 T HN 0.540 nan 8.240 nan 0.000 0.447 383 V N 2.006 121.881 119.914 -0.064 0.000 2.735 383 V HA 0.883 5.003 4.120 -0.000 0.000 0.310 383 V C -2.861 173.157 176.094 -0.127 0.000 1.061 383 V CA -3.042 59.216 62.300 -0.070 0.000 0.913 383 V CB 2.092 33.895 31.823 -0.033 0.000 1.005 383 V HN 0.524 nan 8.190 nan 0.000 0.428 384 P HA 0.262 nan 4.420 nan 0.000 0.279 384 P C -0.334 176.856 177.300 -0.182 0.000 1.239 384 P CA -0.489 62.529 63.100 -0.136 0.000 0.789 384 P CB 1.222 32.875 31.700 -0.079 0.000 0.933 385 M N 3.579 123.031 119.600 -0.247 0.000 2.239 385 M HA 0.097 4.577 4.480 -0.000 0.000 0.348 385 M C -0.344 175.896 176.300 -0.100 0.000 1.239 385 M CA 1.080 56.196 55.300 -0.306 0.000 1.114 385 M CB -0.086 32.339 32.600 -0.291 0.000 1.641 385 M HN 0.459 nan 8.290 nan 0.000 0.453 386 D N 1.474 121.833 120.400 -0.069 0.000 2.677 386 D HA 0.147 4.787 4.640 -0.000 0.000 0.298 386 D C 0.643 176.992 176.300 0.083 0.000 1.250 386 D CA -0.456 53.579 54.000 0.059 0.000 0.888 386 D CB 0.131 40.969 40.800 0.063 0.000 1.397 386 D HN 0.687 nan 8.370 nan 0.000 0.461 387 H N -1.034 118.096 119.070 0.101 0.000 2.460 387 H HA -0.148 4.408 4.556 -0.000 0.000 0.297 387 H C 1.276 176.673 175.328 0.116 0.000 1.103 387 H CA 2.175 58.308 56.048 0.143 0.000 1.292 387 H CB -1.126 28.709 29.762 0.123 0.000 1.376 387 H HN 0.541 nan 8.280 nan 0.000 0.531 388 T N -2.608 111.621 114.554 -0.541 0.000 3.035 388 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 388 T C 1.839 176.439 174.700 -0.166 0.000 1.109 388 T CA 0.409 62.295 62.100 -0.356 0.000 1.119 388 T CB -0.873 67.778 68.868 -0.363 0.000 0.900 388 T HN 0.224 nan 8.240 nan 0.000 0.503 389 F N 1.821 121.537 119.950 -0.389 0.000 2.216 389 F HA 0.247 4.774 4.527 -0.000 0.000 0.300 389 F C 0.298 175.724 175.800 -0.624 0.000 1.085 389 F CA -0.045 57.612 58.000 -0.572 0.000 1.326 389 F CB -0.174 38.311 39.000 -0.858 0.000 1.027 389 F HN 0.178 nan 8.300 nan 0.000 0.497 390 F N 0.885 120.889 119.950 0.090 0.000 2.344 390 F HA 0.300 4.827 4.527 -0.000 0.000 0.344 390 F C -1.634 174.172 175.800 0.010 0.000 1.140 390 F CA -2.167 55.847 58.000 0.023 0.000 1.256 390 F CB -0.023 39.042 39.000 0.108 0.000 1.573 390 F HN -0.161 nan 8.300 nan 0.000 0.547 391 P HA -0.162 nan 4.420 nan 0.000 0.213 391 P C 0.315 177.672 177.300 0.095 0.000 1.176 391 P CA 1.592 64.718 63.100 0.043 0.000 0.919 391 P CB 0.222 31.911 31.700 -0.018 0.000 0.791 392 S N -4.066 111.694 115.700 0.101 0.000 2.911 392 S HA 0.367 4.837 4.470 -0.000 0.000 0.319 392 S C -0.877 173.821 174.600 0.164 0.000 1.154 392 S CA -0.889 57.388 58.200 0.128 0.000 0.857 392 S CB -0.141 63.122 63.200 0.105 0.000 1.279 392 S HN 0.006 nan 8.310 nan 0.000 0.593 393 Y N 2.382 122.711 120.300 0.048 0.000 2.810 393 Y HA 0.162 4.712 4.550 -0.000 0.000 0.332 393 Y C 1.342 177.267 175.900 0.041 0.000 1.243 393 Y CA 0.550 58.672 58.100 0.038 0.000 1.537 393 Y CB -0.116 38.362 38.460 0.030 0.000 1.265 393 Y HN 0.818 nan 8.280 nan 0.000 0.572 394 R N 2.088 122.254 120.500 -0.556 0.000 3.569 394 R HA -0.295 4.045 4.340 -0.000 0.000 0.260 394 R C -0.417 175.767 176.300 -0.193 0.000 1.078 394 R CA 1.495 57.298 56.100 -0.494 0.000 0.716 394 R CB -0.930 28.867 30.300 -0.838 0.000 1.088 394 R HN 0.639 nan 8.270 nan 0.000 0.473 395 K N 0.302 120.666 120.400 -0.059 0.000 2.328 395 K HA 0.458 4.777 4.320 -0.000 0.000 0.246 395 K C -0.159 176.446 176.600 0.009 0.000 0.955 395 K CA -0.264 56.006 56.287 -0.028 0.000 0.817 395 K CB 1.688 34.176 32.500 -0.021 0.000 1.208 395 K HN 0.084 nan 8.250 nan 0.000 0.432 396 T N -1.055 113.425 114.554 -0.123 0.000 2.838 396 T HA 0.374 4.724 4.350 -0.000 0.000 0.292 396 T C 0.192 174.594 174.700 -0.497 0.000 1.113 396 T CA -0.928 60.938 62.100 -0.390 0.000 1.008 396 T CB 0.629 69.212 68.868 -0.475 0.000 1.259 396 T HN 0.451 nan 8.240 nan 0.000 0.520 397 L N 1.373 122.076 121.223 -0.866 0.000 2.939 397 L HA 0.317 4.657 4.340 -0.000 0.000 0.239 397 L C -0.384 176.269 176.870 -0.362 0.000 1.325 397 L CA -0.377 54.146 54.840 -0.529 0.000 1.170 397 L CB -0.472 41.310 42.059 -0.462 0.000 1.538 397 L HN 0.349 nan 8.230 nan 0.000 0.452 398 L N 0.023 121.070 121.223 -0.292 0.000 2.334 398 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 398 L C 0.841 177.647 176.870 -0.106 0.000 1.036 398 L CA -0.029 54.723 54.840 -0.147 0.000 0.807 398 L CB 1.594 43.590 42.059 -0.106 0.000 1.231 398 L HN 0.122 nan 8.230 nan 0.000 0.438 399 G N 1.687 110.445 108.800 -0.071 0.000 2.503 399 G HA2 0.374 4.334 3.960 -0.000 0.000 0.257 399 G HA3 0.374 4.334 3.960 -0.000 0.000 0.257 399 G C -1.528 173.340 174.900 -0.054 0.000 1.214 399 G CA -0.808 44.257 45.100 -0.058 0.000 0.839 399 G HN 0.543 nan 8.290 nan 0.000 0.559 400 P HA -0.069 nan 4.420 nan 0.000 0.228 400 P C 0.606 177.881 177.300 -0.041 0.000 1.151 400 P CA 1.145 64.219 63.100 -0.044 0.000 0.770 400 P CB 0.460 32.139 31.700 -0.035 0.000 0.786 401 E N -0.528 119.648 120.200 -0.039 0.000 2.548 401 E HA 0.130 4.480 4.350 -0.000 0.000 0.206 401 E C 0.172 176.751 176.600 -0.035 0.000 1.005 401 E CA -0.132 56.247 56.400 -0.036 0.000 0.951 401 E CB 0.449 30.128 29.700 -0.035 0.000 1.035 401 E HN 0.470 nan 8.360 nan 0.000 0.470 402 E N 1.351 121.529 120.200 -0.037 0.000 2.248 402 E HA 0.470 4.820 4.350 -0.000 0.000 0.272 402 E C -0.369 176.212 176.600 -0.032 0.000 1.008 402 E CA -0.756 55.625 56.400 -0.031 0.000 0.856 402 E CB 1.755 31.437 29.700 -0.030 0.000 1.120 402 E HN 0.020 nan 8.360 nan 0.000 0.397 403 I N -1.037 119.519 120.570 -0.024 0.000 2.656 403 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 403 I C -1.174 174.938 176.117 -0.009 0.000 1.144 403 I CA -1.250 60.036 61.300 -0.023 0.000 1.038 403 I CB 1.135 39.115 38.000 -0.033 0.000 1.244 403 I HN 0.297 nan 8.210 nan 0.000 0.420 404 L N 5.149 126.374 121.223 0.003 0.000 2.418 404 L HA 0.311 4.651 4.340 -0.000 0.000 0.274 404 L C 0.389 177.252 176.870 -0.012 0.000 1.135 404 L CA 0.234 55.079 54.840 0.008 0.000 0.870 404 L CB 1.026 43.102 42.059 0.029 0.000 1.154 404 L HN 0.904 nan 8.230 nan 0.000 0.462 405 L N 3.911 125.121 121.223 -0.021 0.000 2.269 405 L HA 0.370 4.710 4.340 -0.000 0.000 0.200 405 L C 0.596 177.447 176.870 -0.032 0.000 1.069 405 L CA 1.262 56.087 54.840 -0.025 0.000 0.804 405 L CB 0.027 42.071 42.059 -0.026 0.000 0.987 405 L HN 0.855 nan 8.230 nan 0.000 0.468 406 S N -1.603 114.068 115.700 -0.048 0.000 2.596 406 S HA 0.680 5.150 4.470 -0.000 0.000 0.270 406 S C -1.001 173.541 174.600 -0.096 0.000 1.155 406 S CA -0.741 57.424 58.200 -0.059 0.000 0.827 406 S CB 1.790 64.953 63.200 -0.063 0.000 1.130 406 S HN -0.077 nan 8.310 nan 0.000 0.467 407 I N 0.984 121.492 120.570 -0.103 0.000 2.533 407 I HA 0.483 4.653 4.170 -0.000 0.000 0.290 407 I C -0.560 175.475 176.117 -0.138 0.000 1.056 407 I CA -0.194 60.998 61.300 -0.181 0.000 1.057 407 I CB 2.078 39.906 38.000 -0.287 0.000 1.240 407 I HN 0.900 nan 8.210 nan 0.000 0.423 408 E N 6.980 127.075 120.200 -0.176 0.000 2.149 408 E HA 0.437 4.787 4.350 -0.000 0.000 0.255 408 E C -1.004 175.512 176.600 -0.141 0.000 0.888 408 E CA -0.469 55.839 56.400 -0.154 0.000 0.742 408 E CB 0.795 30.401 29.700 -0.156 0.000 1.164 408 E HN 0.503 nan 8.360 nan 0.000 0.422 409 I N 7.159 127.693 120.570 -0.060 0.000 2.452 409 I HA 0.134 4.304 4.170 -0.000 0.000 0.287 409 I C -1.780 174.358 176.117 0.035 0.000 1.079 409 I CA -1.765 59.554 61.300 0.032 0.000 1.387 409 I CB 0.510 38.627 38.000 0.194 0.000 1.404 409 I HN 0.345 nan 8.210 nan 0.000 0.522 410 P HA -0.017 nan 4.420 nan 0.000 0.268 410 P C -0.809 176.272 177.300 -0.364 0.000 1.205 410 P CA 0.250 63.236 63.100 -0.190 0.000 0.771 410 P CB 0.528 32.141 31.700 -0.145 0.000 0.858 411 Y N 0.293 120.434 120.300 -0.265 0.000 2.296 411 Y HA 0.126 4.676 4.550 -0.000 0.000 0.343 411 Y C 1.695 177.369 175.900 -0.376 0.000 1.292 411 Y CA -0.043 57.797 58.100 -0.433 0.000 1.490 411 Y CB 0.677 39.011 38.460 -0.211 0.000 1.359 411 Y HN 0.292 nan 8.280 nan 0.000 0.599 412 S N 1.193 116.795 115.700 -0.164 0.000 2.437 412 S HA 0.438 4.908 4.470 -0.000 0.000 0.305 412 S C -0.500 174.018 174.600 -0.136 0.000 1.109 412 S CA -0.832 57.264 58.200 -0.174 0.000 1.099 412 S CB 0.286 63.368 63.200 -0.197 0.000 1.004 412 S HN 0.503 nan 8.310 nan 0.000 0.475 413 R N 2.071 122.489 120.500 -0.136 0.000 2.583 413 R HA 0.318 4.658 4.340 -0.000 0.000 0.268 413 R C 0.149 176.347 176.300 -0.171 0.000 1.101 413 R CA -0.804 55.220 56.100 -0.126 0.000 1.180 413 R CB 0.321 30.559 30.300 -0.103 0.000 1.128 413 R HN 0.571 nan 8.270 nan 0.000 0.568 414 E N 1.739 121.860 120.200 -0.131 0.000 2.418 414 E HA -0.071 4.279 4.350 -0.000 0.000 0.261 414 E C -0.167 176.323 176.600 -0.183 0.000 1.070 414 E CA 0.422 56.743 56.400 -0.131 0.000 0.931 414 E CB 0.209 29.872 29.700 -0.063 0.000 0.954 414 E HN 0.547 nan 8.360 nan 0.000 0.439 415 D N 0.726 121.000 120.400 -0.210 0.000 2.911 415 D HA -0.229 4.410 4.640 -0.000 0.000 0.227 415 D C -0.083 175.948 176.300 -0.449 0.000 1.164 415 D CA 1.092 54.994 54.000 -0.163 0.000 0.782 415 D CB -0.794 40.041 40.800 0.059 0.000 1.094 415 D HN 0.505 nan 8.370 nan 0.000 0.425 416 E N -0.251 119.402 120.200 -0.912 0.000 2.218 416 E HA 0.497 4.847 4.350 -0.000 0.000 0.263 416 E C -1.006 174.988 176.600 -1.010 0.000 0.879 416 E CA -0.559 55.409 56.400 -0.720 0.000 0.762 416 E CB 1.033 30.528 29.700 -0.341 0.000 1.166 416 E HN -0.093 nan 8.360 nan 0.000 0.415 417 F N 3.362 123.345 119.950 0.056 0.000 2.563 417 F HA 0.562 5.089 4.527 -0.000 0.000 0.316 417 F C -0.556 175.387 175.800 0.238 0.000 1.076 417 F CA -0.914 57.150 58.000 0.107 0.000 0.921 417 F CB 1.374 40.390 39.000 0.026 0.000 1.209 417 F HN 0.370 nan 8.300 nan 0.000 0.462 418 F N 0.358 120.443 119.950 0.225 0.000 2.611 418 F HA 0.795 5.322 4.527 -0.000 0.000 0.324 418 F C -0.417 175.411 175.800 0.047 0.000 1.061 418 F CA -0.385 57.669 58.000 0.090 0.000 0.954 418 F CB 2.099 41.083 39.000 -0.027 0.000 1.301 418 F HN 0.425 nan 8.300 nan 0.000 0.482 419 S N 1.079 116.484 115.700 -0.492 0.000 2.547 419 S HA 0.860 5.330 4.470 -0.000 0.000 0.270 419 S C -1.772 172.336 174.600 -0.820 0.000 1.150 419 S CA -0.546 57.342 58.200 -0.520 0.000 0.850 419 S CB 1.791 64.682 63.200 -0.516 0.000 1.118 419 S HN 0.898 nan 8.310 nan 0.000 0.461 420 A N 1.941 124.257 122.820 -0.839 0.000 2.437 420 A HA 0.835 5.155 4.320 -0.000 0.000 0.293 420 A C -1.584 175.523 177.584 -0.796 0.000 1.038 420 A CA -0.499 51.137 52.037 -0.668 0.000 0.708 420 A CB 0.615 19.493 19.000 -0.202 0.000 1.251 420 A HN 0.587 nan 8.150 nan 0.000 0.409 421 F N 1.135 120.803 119.950 -0.470 0.000 2.577 421 F HA 0.775 5.302 4.527 -0.000 0.000 0.318 421 F C 0.229 175.685 175.800 -0.574 0.000 1.065 421 F CA -0.742 56.854 58.000 -0.674 0.000 0.929 421 F CB 2.569 40.698 39.000 -1.452 0.000 1.237 421 F HN 0.575 nan 8.300 nan 0.000 0.468 422 K N 1.967 122.302 120.400 -0.108 0.000 2.543 422 K HA 0.502 4.822 4.320 -0.000 0.000 0.255 422 K C -2.023 174.682 176.600 0.176 0.000 0.934 422 K CA -0.702 55.622 56.287 0.061 0.000 0.810 422 K CB 2.355 34.888 32.500 0.055 0.000 1.315 422 K HN 0.631 nan 8.250 nan 0.000 0.433 423 Q N 2.626 122.578 119.800 0.254 0.000 2.271 423 Q HA 0.682 5.022 4.340 -0.000 0.000 0.268 423 Q C -1.944 174.119 176.000 0.104 0.000 1.021 423 Q CA -0.312 55.601 55.803 0.184 0.000 0.802 423 Q CB 2.196 31.078 28.738 0.240 0.000 1.282 423 Q HN 0.773 nan 8.270 nan 0.000 0.431 424 A N 1.863 124.727 122.820 0.073 0.000 3.884 424 A HA 0.745 5.065 4.320 -0.000 0.000 0.170 424 A C 0.147 177.789 177.584 0.096 0.000 0.825 424 A CA 0.343 52.422 52.037 0.070 0.000 0.978 424 A CB 0.283 19.296 19.000 0.022 0.000 1.566 424 A HN 0.671 nan 8.150 nan 0.000 0.770 425 S N -0.996 114.733 115.700 0.048 0.000 2.502 425 S HA 0.241 4.711 4.470 -0.000 0.000 0.228 425 S C 0.840 175.427 174.600 -0.021 0.000 1.061 425 S CA 0.215 58.433 58.200 0.030 0.000 0.935 425 S CB 0.103 63.313 63.200 0.017 0.000 0.809 425 S HN 0.560 nan 8.310 nan 0.000 0.510 426 R N 1.126 121.597 120.500 -0.047 0.000 2.561 426 R HA 0.427 4.767 4.340 -0.000 0.000 0.297 426 R C 0.863 177.100 176.300 -0.105 0.000 0.969 426 R CA -0.656 55.393 56.100 -0.084 0.000 0.879 426 R CB 1.026 31.274 30.300 -0.086 0.000 1.178 426 R HN 0.050 nan 8.270 nan 0.000 0.445 427 R N 1.730 122.114 120.500 -0.193 0.000 2.096 427 R HA -0.128 4.212 4.340 -0.000 0.000 0.240 427 R C -0.421 175.814 176.300 -0.110 0.000 1.139 427 R CA 1.673 57.565 56.100 -0.345 0.000 0.952 427 R CB 0.076 29.987 30.300 -0.649 0.000 0.854 427 R HN 0.555 nan 8.270 nan 0.000 0.436 428 E N 1.315 121.527 120.200 0.021 0.000 2.316 428 E HA 0.035 4.385 4.350 -0.000 0.000 0.275 428 E C -0.761 175.915 176.600 0.127 0.000 1.029 428 E CA 0.045 56.558 56.400 0.187 0.000 0.871 428 E CB 0.786 30.576 29.700 0.151 0.000 1.022 428 E HN 0.174 nan 8.360 nan 0.000 0.418 429 D N 2.354 122.851 120.400 0.162 0.000 3.359 429 D HA -0.221 4.419 4.640 -0.000 0.000 0.212 429 D C -1.291 175.042 176.300 0.055 0.000 1.160 429 D CA 1.022 55.087 54.000 0.110 0.000 1.008 429 D CB -0.401 40.467 40.800 0.114 0.000 0.809 429 D HN 0.380 nan 8.370 nan 0.000 0.387 430 D N 1.973 122.388 120.400 0.026 0.000 2.654 430 D HA 0.334 4.974 4.640 -0.000 0.000 0.231 430 D C -0.395 175.882 176.300 -0.038 0.000 1.239 430 D CA -0.629 53.368 54.000 -0.006 0.000 0.790 430 D CB 1.019 41.816 40.800 -0.005 0.000 1.480 430 D HN 0.262 nan 8.370 nan 0.000 0.442 431 I N 1.870 122.418 120.570 -0.037 0.000 2.517 431 I HA 0.302 4.472 4.170 -0.000 0.000 0.285 431 I C 0.957 177.058 176.117 -0.026 0.000 1.106 431 I CA -0.361 60.909 61.300 -0.050 0.000 1.402 431 I CB 0.767 38.748 38.000 -0.031 0.000 1.399 431 I HN 0.415 nan 8.210 nan 0.000 0.535 432 A N 7.707 130.507 122.820 -0.035 0.000 2.498 432 A HA 0.136 4.456 4.320 -0.000 0.000 0.239 432 A C 1.175 178.766 177.584 0.011 0.000 1.068 432 A CA -0.171 51.867 52.037 0.001 0.000 0.766 432 A CB 0.436 19.438 19.000 0.005 0.000 1.003 432 A HN 0.723 nan 8.150 nan 0.000 0.497 433 K N 0.781 121.194 120.400 0.022 0.000 2.044 433 K HA 0.147 4.467 4.320 -0.000 0.000 0.204 433 K C -0.019 176.566 176.600 -0.025 0.000 1.045 433 K CA 1.171 57.453 56.287 -0.009 0.000 0.951 433 K CB -0.032 32.452 32.500 -0.027 0.000 0.738 433 K HN 0.508 nan 8.250 nan 0.000 0.443 434 V N 0.719 120.641 119.914 0.013 0.000 2.668 434 V HA 0.251 4.371 4.120 -0.000 0.000 0.304 434 V C -0.659 175.615 176.094 0.301 0.000 1.071 434 V CA -0.817 61.549 62.300 0.111 0.000 0.894 434 V CB 2.061 33.880 31.823 -0.007 0.000 1.008 434 V HN 0.191 nan 8.190 nan 0.000 0.425 435 T N 3.704 118.408 114.554 0.250 0.000 2.903 435 T HA 0.799 5.149 4.350 -0.000 0.000 0.299 435 T C -0.691 174.043 174.700 0.056 0.000 1.093 435 T CA -0.107 62.081 62.100 0.147 0.000 1.002 435 T CB 1.357 70.246 68.868 0.035 0.000 1.127 435 T HN 1.270 nan 8.240 nan 0.000 0.488 436 C N 0.978 120.193 119.300 -0.141 0.000 3.323 436 C HA 1.046 5.506 4.460 -0.000 0.000 0.324 436 C C 0.062 174.827 174.990 -0.375 0.000 1.428 436 C CA -0.547 58.274 59.018 -0.329 0.000 1.368 436 C CB 0.926 28.302 27.740 -0.607 0.000 1.731 436 C HN 1.206 nan 8.230 nan 0.000 0.455 437 G N 0.858 109.400 108.800 -0.430 0.000 2.707 437 G HA2 0.674 4.634 3.960 -0.000 0.000 0.299 437 G HA3 0.674 4.634 3.960 -0.000 0.000 0.299 437 G C -1.343 173.125 174.900 -0.721 0.000 1.442 437 G CA -0.513 44.314 45.100 -0.454 0.000 1.009 437 G HN 0.816 nan 8.290 nan 0.000 0.515 438 M N 2.069 120.934 119.600 -1.225 0.000 2.259 438 M HA 0.538 5.018 4.480 -0.000 0.000 0.304 438 M C -0.260 175.173 176.300 -1.444 0.000 1.019 438 M CA -0.740 53.777 55.300 -1.304 0.000 0.922 438 M CB 3.107 34.676 32.600 -1.718 0.000 1.600 438 M HN 0.551 nan 8.290 nan 0.000 0.433 439 R N 2.217 122.328 120.500 -0.647 0.000 2.673 439 R HA 0.874 5.214 4.340 -0.000 0.000 0.281 439 R C -2.251 174.135 176.300 0.143 0.000 0.991 439 R CA -0.678 55.340 56.100 -0.137 0.000 0.896 439 R CB 2.495 32.852 30.300 0.095 0.000 1.201 439 R HN 0.613 nan 8.270 nan 0.000 0.457 440 V N 5.228 125.232 119.914 0.151 0.000 2.888 440 V HA 0.630 4.750 4.120 -0.000 0.000 0.309 440 V C -1.941 173.963 176.094 -0.316 0.000 1.114 440 V CA -0.837 61.389 62.300 -0.123 0.000 0.940 440 V CB 2.041 33.630 31.823 -0.390 0.000 1.021 440 V HN 0.739 nan 8.190 nan 0.000 0.426 441 L N 6.566 127.539 121.223 -0.417 0.000 2.406 441 L HA 0.759 5.099 4.340 -0.000 0.000 0.272 441 L C -1.403 175.225 176.870 -0.404 0.000 0.980 441 L CA 0.070 54.710 54.840 -0.332 0.000 0.831 441 L CB 1.589 43.549 42.059 -0.164 0.000 1.253 441 L HN 0.574 nan 8.230 nan 0.000 0.406 442 F N 1.931 121.837 119.950 -0.074 0.000 2.497 442 F HA 0.575 5.102 4.527 -0.000 0.000 0.331 442 F C 0.537 176.310 175.800 -0.045 0.000 1.060 442 F CA -0.699 57.273 58.000 -0.048 0.000 0.989 442 F CB 0.796 39.782 39.000 -0.024 0.000 1.245 442 F HN 0.368 nan 8.300 nan 0.000 0.486 443 Q N 1.359 121.265 119.800 0.176 0.000 2.364 443 Q HA 0.179 4.519 4.340 -0.000 0.000 0.267 443 Q C -2.321 173.735 176.000 0.095 0.000 0.999 443 Q CA -1.921 53.935 55.803 0.088 0.000 0.886 443 Q CB 0.085 28.857 28.738 0.058 0.000 1.243 443 Q HN 0.173 nan 8.270 nan 0.000 0.415 444 P HA -0.163 nan 4.420 nan 0.000 0.258 444 P C 0.536 177.865 177.300 0.048 0.000 1.136 444 P CA 1.581 64.708 63.100 0.045 0.000 0.761 444 P CB 0.042 31.760 31.700 0.030 0.000 0.724 445 G N 2.353 111.178 108.800 0.041 0.000 2.280 445 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.282 445 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.282 445 G C 0.470 175.381 174.900 0.018 0.000 1.000 445 G CA 0.737 45.853 45.100 0.027 0.000 0.751 445 G HN 0.803 nan 8.290 nan 0.000 0.515 446 S N -1.753 113.964 115.700 0.029 0.000 2.768 446 S HA 0.794 5.264 4.470 -0.000 0.000 0.300 446 S C 0.807 175.341 174.600 -0.111 0.000 1.122 446 S CA -0.468 57.752 58.200 0.034 0.000 0.995 446 S CB 1.531 64.796 63.200 0.107 0.000 1.195 446 S HN 0.165 nan 8.310 nan 0.000 0.547 447 M N 0.538 120.125 119.600 -0.021 0.000 2.589 447 M HA 0.296 4.776 4.480 -0.000 0.000 0.344 447 M C 0.045 176.417 176.300 0.119 0.000 1.168 447 M CA -0.012 55.175 55.300 -0.190 0.000 0.956 447 M CB 0.487 33.128 32.600 0.069 0.000 1.370 447 M HN 0.724 nan 8.290 nan 0.000 0.518 448 Q N 1.856 121.678 119.800 0.037 0.000 2.314 448 Q HA 0.369 4.709 4.340 -0.000 0.000 0.259 448 Q C -0.779 175.333 176.000 0.186 0.000 0.951 448 Q CA -0.439 55.177 55.803 -0.313 0.000 0.909 448 Q CB 1.669 29.967 28.738 -0.734 0.000 1.236 448 Q HN 0.113 nan 8.270 nan 0.000 0.444 449 V N 5.338 125.341 119.914 0.149 0.000 2.540 449 V HA -0.069 4.051 4.120 -0.000 0.000 0.297 449 V C 1.011 177.078 176.094 -0.045 0.000 1.024 449 V CA 0.730 63.036 62.300 0.011 0.000 1.105 449 V CB 0.855 32.740 31.823 0.103 0.000 0.938 449 V HN 0.892 nan 8.190 nan 0.000 0.482 450 K N 3.533 123.877 120.400 -0.094 0.000 2.266 450 K HA 0.246 4.566 4.320 -0.000 0.000 0.209 450 K C 0.375 176.944 176.600 -0.052 0.000 1.065 450 K CA 0.177 56.432 56.287 -0.053 0.000 0.946 450 K CB 0.539 33.014 32.500 -0.042 0.000 1.069 450 K HN 0.790 nan 8.250 nan 0.000 0.472 451 E N 0.731 120.878 120.200 -0.088 0.000 2.222 451 E HA 0.375 4.725 4.350 -0.000 0.000 0.267 451 E C -1.740 174.831 176.600 -0.047 0.000 0.884 451 E CA -0.715 55.655 56.400 -0.049 0.000 0.764 451 E CB 2.498 32.174 29.700 -0.041 0.000 1.169 451 E HN 0.058 nan 8.360 nan 0.000 0.413 452 L N 2.027 123.262 121.223 0.021 0.000 2.528 452 L HA 0.667 5.007 4.340 -0.000 0.000 0.267 452 L C -1.876 175.050 176.870 0.093 0.000 0.961 452 L CA -0.244 54.650 54.840 0.089 0.000 0.866 452 L CB 1.680 43.838 42.059 0.165 0.000 1.248 452 L HN 0.633 nan 8.230 nan 0.000 0.404 453 A N 5.991 128.863 122.820 0.086 0.000 2.343 453 A HA 0.849 5.169 4.320 -0.000 0.000 0.308 453 A C -1.558 176.028 177.584 0.005 0.000 1.092 453 A CA -0.422 51.646 52.037 0.051 0.000 0.751 453 A CB 1.128 20.155 19.000 0.045 0.000 1.203 453 A HN 0.650 nan 8.150 nan 0.000 0.452 454 L N 2.304 123.546 121.223 0.032 0.000 2.345 454 L HA 0.418 4.758 4.340 -0.000 0.000 0.274 454 L C -1.100 175.782 176.870 0.020 0.000 0.999 454 L CA -0.421 54.413 54.840 -0.009 0.000 0.849 454 L CB 1.470 43.623 42.059 0.156 0.000 1.220 454 L HN 0.703 nan 8.230 nan 0.000 0.422 455 C N 2.550 121.768 119.300 -0.136 0.000 2.345 455 C HA 0.673 5.133 4.460 -0.000 0.000 0.323 455 C C -0.307 174.593 174.990 -0.150 0.000 1.276 455 C CA -0.969 58.040 59.018 -0.015 0.000 1.543 455 C CB 0.297 28.057 27.740 0.033 0.000 2.211 455 C HN 0.497 nan 8.230 nan 0.000 0.493 456 Y N 0.703 121.027 120.300 0.041 0.000 2.549 456 Y HA 0.734 5.284 4.550 -0.000 0.000 0.339 456 Y C 0.726 176.641 175.900 0.025 0.000 1.053 456 Y CA -0.268 57.858 58.100 0.044 0.000 1.105 456 Y CB 1.598 40.091 38.460 0.055 0.000 1.258 456 Y HN 0.831 nan 8.280 nan 0.000 0.478 457 G N -0.960 107.954 108.800 0.189 0.000 2.481 457 G HA2 0.477 4.437 3.960 -0.000 0.000 0.315 457 G HA3 0.477 4.437 3.960 -0.000 0.000 0.315 457 G C 0.353 175.311 174.900 0.098 0.000 1.231 457 G CA -0.547 44.605 45.100 0.087 0.000 0.968 457 G HN 1.244 nan 8.290 nan 0.000 0.482 458 G N 0.389 109.218 108.800 0.048 0.000 2.159 458 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.256 458 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.256 458 G C 0.927 175.828 174.900 0.001 0.000 0.977 458 G CA 0.861 45.975 45.100 0.022 0.000 0.652 458 G HN 0.534 nan 8.290 nan 0.000 0.531 459 M N -0.603 119.004 119.600 0.013 0.000 2.304 459 M HA 0.610 5.090 4.480 -0.000 0.000 0.281 459 M C 1.030 177.321 176.300 -0.016 0.000 1.014 459 M CA 0.950 56.232 55.300 -0.029 0.000 1.054 459 M CB 0.371 32.930 32.600 -0.068 0.000 1.551 459 M HN 0.933 nan 8.290 nan 0.000 0.548 460 A N 0.662 123.490 122.820 0.013 0.000 2.525 460 A HA 0.563 4.883 4.320 -0.000 0.000 0.291 460 A C -0.584 177.024 177.584 0.041 0.000 1.268 460 A CA -0.292 51.760 52.037 0.024 0.000 0.712 460 A CB 0.409 19.438 19.000 0.047 0.000 1.320 460 A HN 0.244 nan 8.150 nan 0.000 0.456 461 D N -0.367 120.070 120.400 0.062 0.000 2.325 461 D HA 0.200 4.840 4.640 -0.000 0.000 0.234 461 D C 0.331 176.763 176.300 0.219 0.000 1.122 461 D CA 0.077 54.151 54.000 0.125 0.000 0.850 461 D CB -0.310 40.527 40.800 0.061 0.000 0.921 461 D HN 0.674 nan 8.370 nan 0.000 0.513 462 R N -3.194 117.376 120.500 0.116 0.000 2.753 462 R HA 0.371 4.711 4.340 -0.000 0.000 0.272 462 R C -1.282 175.030 176.300 0.019 0.000 1.034 462 R CA -0.866 55.266 56.100 0.053 0.000 0.869 462 R CB -0.312 30.065 30.300 0.128 0.000 1.264 462 R HN -0.209 nan 8.270 nan 0.000 0.481 463 T N 2.783 117.271 114.554 -0.111 0.000 2.902 463 T HA 0.343 4.693 4.350 -0.000 0.000 0.301 463 T C 0.511 175.311 174.700 0.167 0.000 1.012 463 T CA 0.070 62.158 62.100 -0.020 0.000 1.151 463 T CB -0.091 68.686 68.868 -0.152 0.000 0.946 463 T HN 0.442 nan 8.240 nan 0.000 0.542 464 I N -0.937 119.741 120.570 0.181 0.000 3.042 464 I HA 0.818 4.988 4.170 -0.000 0.000 0.310 464 I C -0.455 175.788 176.117 0.211 0.000 1.117 464 I CA -1.042 60.382 61.300 0.208 0.000 1.003 464 I CB 2.487 40.578 38.000 0.151 0.000 1.228 464 I HN 0.472 nan 8.210 nan 0.000 0.443 465 S N 2.350 118.159 115.700 0.182 0.000 2.473 465 S HA 0.710 5.180 4.470 -0.000 0.000 0.307 465 S C 0.131 174.785 174.600 0.089 0.000 1.094 465 S CA -0.442 57.844 58.200 0.143 0.000 1.070 465 S CB 1.512 64.781 63.200 0.115 0.000 1.019 465 S HN 0.918 nan 8.310 nan 0.000 0.480 466 A N 6.150 129.041 122.820 0.119 0.000 3.029 466 A HA 0.300 4.620 4.320 -0.000 0.000 0.251 466 A C 1.338 178.928 177.584 0.011 0.000 1.749 466 A CA -0.213 51.859 52.037 0.059 0.000 1.386 466 A CB -1.009 18.043 19.000 0.088 0.000 1.043 466 A HN 0.955 nan 8.150 nan 0.000 0.638 467 L N -0.245 120.960 121.223 -0.031 0.000 2.013 467 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 467 L C 2.606 179.451 176.870 -0.042 0.000 1.073 467 L CA 1.883 56.686 54.840 -0.062 0.000 0.753 467 L CB -0.462 41.502 42.059 -0.158 0.000 0.890 467 L HN 0.552 nan 8.230 nan 0.000 0.432 468 K N -0.530 119.844 120.400 -0.042 0.000 2.001 468 K HA -0.192 4.128 4.320 -0.000 0.000 0.214 468 K C 2.064 178.647 176.600 -0.029 0.000 1.050 468 K CA 2.198 58.466 56.287 -0.032 0.000 0.934 468 K CB -0.471 32.011 32.500 -0.031 0.000 0.718 468 K HN 0.289 nan 8.250 nan 0.000 0.443 469 T N 0.582 115.115 114.554 -0.036 0.000 2.759 469 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 469 T C 1.987 176.663 174.700 -0.040 0.000 1.042 469 T CA 1.960 64.030 62.100 -0.050 0.000 1.140 469 T CB -0.428 68.394 68.868 -0.076 0.000 0.864 469 T HN 0.533 nan 8.240 nan 0.000 0.455 470 T N 0.023 114.568 114.554 -0.014 0.000 3.023 470 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 470 T C 1.901 176.615 174.700 0.023 0.000 1.093 470 T CA 0.374 62.485 62.100 0.018 0.000 1.129 470 T CB -0.120 68.776 68.868 0.046 0.000 0.899 470 T HN 0.137 nan 8.240 nan 0.000 0.491 471 Q N 2.075 121.879 119.800 0.007 0.000 2.020 471 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 471 Q C 2.197 178.207 176.000 0.016 0.000 0.982 471 Q CA 1.453 57.261 55.803 0.010 0.000 0.838 471 Q CB -0.417 28.321 28.738 -0.000 0.000 0.899 471 Q HN 0.616 nan 8.270 nan 0.000 0.423 472 K N 0.586 120.991 120.400 0.008 0.000 2.520 472 K HA -0.136 4.184 4.320 -0.000 0.000 0.197 472 K C 1.623 178.239 176.600 0.027 0.000 1.043 472 K CA 0.697 56.992 56.287 0.012 0.000 0.944 472 K CB 0.167 32.666 32.500 -0.001 0.000 0.770 472 K HN 0.144 nan 8.250 nan 0.000 0.480 473 Q N -0.007 119.816 119.800 0.038 0.000 2.317 473 Q HA 0.174 4.514 4.340 -0.000 0.000 0.220 473 Q C 0.372 176.420 176.000 0.080 0.000 0.873 473 Q CA 0.121 55.965 55.803 0.069 0.000 0.936 473 Q CB 0.431 29.224 28.738 0.091 0.000 1.105 473 Q HN 0.299 nan 8.270 nan 0.000 0.520 474 L N 1.126 122.382 121.223 0.055 0.000 2.540 474 L HA -0.058 4.282 4.340 -0.000 0.000 0.276 474 L C 1.331 178.217 176.870 0.027 0.000 1.212 474 L CA 0.577 55.439 54.840 0.037 0.000 0.893 474 L CB 0.239 42.313 42.059 0.025 0.000 1.138 474 L HN 0.247 nan 8.230 nan 0.000 0.491 475 S N 0.437 116.136 115.700 -0.002 0.000 2.361 475 S HA -0.176 4.294 4.470 -0.000 0.000 0.247 475 S C 0.579 175.135 174.600 -0.074 0.000 1.218 475 S CA 1.478 59.656 58.200 -0.037 0.000 1.502 475 S CB -0.532 62.674 63.200 0.010 0.000 1.893 475 S HN 0.691 nan 8.310 nan 0.000 0.610 476 K N 0.470 120.878 120.400 0.014 0.000 2.120 476 K HA 0.668 4.988 4.320 -0.000 0.000 0.245 476 K C -0.066 176.563 176.600 0.048 0.000 1.024 476 K CA 0.054 56.408 56.287 0.111 0.000 0.906 476 K CB 0.111 32.702 32.500 0.151 0.000 1.051 476 K HN 0.211 nan 8.250 nan 0.000 0.491 477 F N 0.160 120.238 119.950 0.213 0.000 2.399 477 F HA 0.233 4.760 4.527 -0.000 0.000 0.328 477 F C 0.262 176.278 175.800 0.360 0.000 1.084 477 F CA -0.539 57.633 58.000 0.287 0.000 1.053 477 F CB 0.769 39.885 39.000 0.193 0.000 1.209 477 F HN 0.352 nan 8.300 nan 0.000 0.502 478 W N 5.798 127.348 121.300 0.417 0.000 2.666 478 W HA 0.135 4.795 4.660 -0.000 0.000 0.365 478 W C -0.912 175.826 176.519 0.365 0.000 1.224 478 W CA -0.030 57.556 57.345 0.400 0.000 1.515 478 W CB -0.175 29.471 29.460 0.310 0.000 1.562 478 W HN 0.724 nan 8.180 nan 0.000 0.455 479 N N 0.905 119.747 118.700 0.235 0.000 2.825 479 N HA 0.058 4.798 4.740 -0.000 0.000 0.253 479 N C 0.322 175.888 175.510 0.093 0.000 1.426 479 N CA -0.637 52.550 53.050 0.228 0.000 0.851 479 N CB 0.505 39.101 38.487 0.180 0.000 1.470 479 N HN 0.032 nan 8.380 nan 0.000 0.517 480 E N 0.106 120.370 120.200 0.107 0.000 2.208 480 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 480 E C 1.138 177.678 176.600 -0.099 0.000 1.014 480 E CA 1.644 58.031 56.400 -0.023 0.000 0.819 480 E CB 0.064 29.787 29.700 0.038 0.000 0.735 480 E HN 0.512 nan 8.360 nan 0.000 0.469 481 K N 0.054 120.429 120.400 -0.043 0.000 2.076 481 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 481 K C 2.300 178.858 176.600 -0.069 0.000 1.051 481 K CA 0.944 57.206 56.287 -0.042 0.000 0.949 481 K CB -0.504 31.998 32.500 0.004 0.000 0.726 481 K HN 0.377 nan 8.250 nan 0.000 0.443 482 L N 1.344 122.523 121.223 -0.073 0.000 2.017 482 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 482 L C 2.415 179.185 176.870 -0.167 0.000 1.073 482 L CA 1.184 55.968 54.840 -0.093 0.000 0.745 482 L CB -0.449 41.555 42.059 -0.091 0.000 0.894 482 L HN 0.138 nan 8.230 nan 0.000 0.432 483 L N 0.024 121.041 121.223 -0.344 0.000 2.013 483 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 483 L C 2.453 179.249 176.870 -0.124 0.000 1.073 483 L CA 1.994 56.632 54.840 -0.337 0.000 0.753 483 L CB -0.867 40.679 42.059 -0.856 0.000 0.890 483 L HN 0.424 nan 8.230 nan 0.000 0.432 484 Q N -0.658 119.054 119.800 -0.146 0.000 2.050 484 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 484 Q C 1.942 177.890 176.000 -0.086 0.000 0.980 484 Q CA 1.827 57.567 55.803 -0.105 0.000 0.840 484 Q CB -0.262 28.418 28.738 -0.097 0.000 0.898 484 Q HN 0.617 nan 8.270 nan 0.000 0.424 485 D N 0.094 120.444 120.400 -0.083 0.000 2.087 485 D HA -0.145 4.495 4.640 -0.000 0.000 0.192 485 D C 2.099 178.336 176.300 -0.105 0.000 0.993 485 D CA 1.102 55.057 54.000 -0.075 0.000 0.828 485 D CB -0.468 40.299 40.800 -0.055 0.000 0.968 485 D HN 0.035 nan 8.370 nan 0.000 0.448 486 V N 1.309 121.127 119.914 -0.160 0.000 2.250 486 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 486 V C 2.854 178.814 176.094 -0.223 0.000 1.060 486 V CA 1.783 63.909 62.300 -0.291 0.000 1.030 486 V CB -0.778 30.632 31.823 -0.690 0.000 0.643 486 V HN 0.302 nan 8.190 nan 0.000 0.445 487 C N 0.034 119.263 119.300 -0.118 0.000 2.401 487 C HA -0.155 4.305 4.460 -0.000 0.000 0.276 487 C C 3.072 178.032 174.990 -0.049 0.000 1.233 487 C CA 0.850 59.857 59.018 -0.019 0.000 1.753 487 C CB -1.521 26.262 27.740 0.071 0.000 2.029 487 C HN 0.675 nan 8.230 nan 0.000 0.478 488 A N 0.678 123.458 122.820 -0.065 0.000 1.898 488 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 488 A C 2.384 179.928 177.584 -0.066 0.000 1.181 488 A CA 2.057 54.057 52.037 -0.061 0.000 0.620 488 A CB -1.243 17.721 19.000 -0.059 0.000 0.819 488 A HN 0.541 nan 8.150 nan 0.000 0.442 489 G N 0.137 108.888 108.800 -0.083 0.000 2.480 489 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 489 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 489 G C 1.560 176.407 174.900 -0.088 0.000 1.200 489 G CA 1.126 46.176 45.100 -0.083 0.000 0.782 489 G HN 0.423 nan 8.290 nan 0.000 0.554 490 L N 0.930 122.087 121.223 -0.110 0.000 2.013 490 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 490 L C 3.419 180.221 176.870 -0.114 0.000 1.073 490 L CA 1.294 56.061 54.840 -0.122 0.000 0.753 490 L CB -0.526 41.460 42.059 -0.122 0.000 0.890 490 L HN 0.318 nan 8.230 nan 0.000 0.432 491 A N -0.854 121.915 122.820 -0.084 0.000 2.024 491 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 491 A C 2.301 179.846 177.584 -0.066 0.000 1.164 491 A CA 2.053 54.048 52.037 -0.070 0.000 0.643 491 A CB -0.397 18.574 19.000 -0.048 0.000 0.806 491 A HN 0.568 nan 8.150 nan 0.000 0.451 492 E N -0.923 119.239 120.200 -0.063 0.000 2.162 492 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 492 E C 1.961 178.529 176.600 -0.055 0.000 0.953 492 E CA 0.633 57.002 56.400 -0.052 0.000 0.849 492 E CB -0.105 29.570 29.700 -0.043 0.000 0.810 492 E HN 0.698 nan 8.360 nan 0.000 0.470 493 E N 0.353 120.515 120.200 -0.063 0.000 2.150 493 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 493 E C 1.116 177.673 176.600 -0.072 0.000 0.985 493 E CA 0.657 57.021 56.400 -0.060 0.000 0.814 493 E CB 0.206 29.871 29.700 -0.058 0.000 0.752 493 E HN 0.257 nan 8.360 nan 0.000 0.466 494 L N 1.982 123.142 121.223 -0.106 0.000 3.034 494 L HA 0.242 4.582 4.340 -0.000 0.000 0.245 494 L C 0.273 177.076 176.870 -0.112 0.000 1.295 494 L CA -0.638 54.124 54.840 -0.130 0.000 1.068 494 L CB 0.383 42.301 42.059 -0.234 0.000 1.426 494 L HN 0.033 nan 8.230 nan 0.000 0.531 495 S N 0.629 116.281 115.700 -0.079 0.000 2.576 495 S HA 0.451 4.921 4.470 -0.000 0.000 0.272 495 S C -0.250 174.315 174.600 -0.058 0.000 1.352 495 S CA -0.241 57.921 58.200 -0.064 0.000 1.021 495 S CB 1.172 64.345 63.200 -0.046 0.000 0.887 495 S HN 0.260 nan 8.310 nan 0.000 0.542 496 L N 1.987 123.178 121.223 -0.052 0.000 2.385 496 L HA 0.421 4.761 4.340 -0.000 0.000 0.273 496 L C 0.100 176.950 176.870 -0.034 0.000 0.990 496 L CA -0.800 54.013 54.840 -0.046 0.000 0.821 496 L CB 2.310 44.337 42.059 -0.052 0.000 1.279 496 L HN 0.919 nan 8.230 nan 0.000 0.412 497 S N 1.458 117.141 115.700 -0.029 0.000 2.580 497 S HA 0.255 4.725 4.470 -0.000 0.000 0.274 497 S C -1.976 172.611 174.600 -0.021 0.000 1.329 497 S CA -1.153 57.034 58.200 -0.023 0.000 1.036 497 S CB 1.011 64.199 63.200 -0.020 0.000 0.919 497 S HN 0.427 nan 8.310 nan 0.000 0.515 498 P HA -0.207 nan 4.420 nan 0.000 0.218 498 P C 0.898 178.190 177.300 -0.014 0.000 1.152 498 P CA 1.608 64.701 63.100 -0.012 0.000 0.857 498 P CB -0.106 31.590 31.700 -0.007 0.000 0.787 499 D N -1.100 119.291 120.400 -0.015 0.000 2.344 499 D HA 0.056 4.696 4.640 -0.000 0.000 0.242 499 D C 0.250 176.533 176.300 -0.028 0.000 1.159 499 D CA -0.198 53.792 54.000 -0.016 0.000 0.859 499 D CB -0.648 40.144 40.800 -0.012 0.000 0.925 499 D HN 0.017 nan 8.370 nan 0.000 0.510 500 A N 1.335 124.135 122.820 -0.033 0.000 2.540 500 A HA 0.295 4.615 4.320 -0.000 0.000 0.239 500 A C -2.192 175.357 177.584 -0.059 0.000 1.061 500 A CA -0.752 51.258 52.037 -0.045 0.000 0.758 500 A CB -0.229 18.744 19.000 -0.045 0.000 0.991 500 A HN 0.132 nan 8.150 nan 0.000 0.502 501 P HA 0.362 nan 4.420 nan 0.000 0.271 501 P C 1.060 178.296 177.300 -0.107 0.000 1.216 501 P CA 1.465 64.510 63.100 -0.091 0.000 0.776 501 P CB 0.938 32.582 31.700 -0.092 0.000 0.881 502 G N 1.857 110.563 108.800 -0.156 0.000 2.205 502 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.261 502 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.261 502 G C 0.780 175.585 174.900 -0.159 0.000 0.980 502 G CA 0.439 45.434 45.100 -0.174 0.000 0.632 502 G HN 0.990 nan 8.290 nan 0.000 0.533 503 G N -0.024 108.706 108.800 -0.116 0.000 2.581 503 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.291 503 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.291 503 G C 0.871 175.745 174.900 -0.043 0.000 1.277 503 G CA 1.232 46.285 45.100 -0.078 0.000 0.959 503 G HN 1.820 nan 8.290 nan 0.000 0.554 504 M N -1.710 117.885 119.600 -0.008 0.000 2.393 504 M HA -0.229 4.251 4.480 -0.000 0.000 0.201 504 M C 1.476 177.811 176.300 0.058 0.000 0.403 504 M CA 0.773 56.112 55.300 0.067 0.000 0.471 504 M CB -1.732 30.947 32.600 0.131 0.000 1.669 504 M HN 0.511 nan 8.290 nan 0.000 0.864 505 I N 0.661 121.242 120.570 0.018 0.000 2.068 505 I HA -0.297 3.873 4.170 -0.000 0.000 0.238 505 I C 2.227 178.348 176.117 0.008 0.000 1.046 505 I CA 2.546 63.844 61.300 -0.003 0.000 1.306 505 I CB -0.328 37.667 38.000 -0.008 0.000 1.023 505 I HN 0.359 nan 8.210 nan 0.000 0.399 506 E N -0.132 120.092 120.200 0.040 0.000 2.049 506 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 506 E C 2.067 178.721 176.600 0.091 0.000 1.007 506 E CA 1.493 57.924 56.400 0.053 0.000 0.809 506 E CB -0.753 28.986 29.700 0.066 0.000 0.749 506 E HN 0.449 nan 8.360 nan 0.000 0.450 507 F N 1.534 121.458 119.950 -0.044 0.000 2.095 507 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 507 F C 2.060 177.804 175.800 -0.092 0.000 1.104 507 F CA 1.580 59.544 58.000 -0.059 0.000 1.232 507 F CB -0.204 38.771 39.000 -0.042 0.000 0.987 507 F HN -0.132 nan 8.300 nan 0.000 0.475 508 R N -0.050 120.316 120.500 -0.223 0.000 2.073 508 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 508 R C 2.422 178.547 176.300 -0.292 0.000 1.134 508 R CA 1.756 57.646 56.100 -0.349 0.000 0.952 508 R CB -0.345 29.843 30.300 -0.185 0.000 0.850 508 R HN 0.296 nan 8.270 nan 0.000 0.433 509 R N -0.534 119.858 120.500 -0.179 0.000 2.075 509 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 509 R C 2.276 178.480 176.300 -0.161 0.000 1.126 509 R CA 1.737 57.741 56.100 -0.161 0.000 0.963 509 R CB -0.363 29.878 30.300 -0.099 0.000 0.858 509 R HN 0.183 nan 8.270 nan 0.000 0.435 510 T N 1.633 116.111 114.554 -0.127 0.000 2.759 510 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 510 T C 1.780 176.336 174.700 -0.239 0.000 1.042 510 T CA 0.997 63.038 62.100 -0.098 0.000 1.140 510 T CB -0.112 68.757 68.868 0.001 0.000 0.864 510 T HN 0.145 nan 8.240 nan 0.000 0.455 511 L N 1.277 122.242 121.223 -0.430 0.000 2.201 511 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 511 L C 3.000 179.474 176.870 -0.660 0.000 1.105 511 L CA 1.453 55.845 54.840 -0.746 0.000 0.775 511 L CB -0.843 40.611 42.059 -1.009 0.000 0.913 511 L HN 0.479 nan 8.230 nan 0.000 0.440 512 T N -2.923 111.458 114.554 -0.289 0.000 2.896 512 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 512 T C 1.800 176.584 174.700 0.141 0.000 1.050 512 T CA 0.607 62.719 62.100 0.019 0.000 1.140 512 T CB -0.255 68.403 68.868 -0.350 0.000 0.877 512 T HN 0.212 nan 8.240 nan 0.000 0.457 513 L N 0.889 122.113 121.223 0.002 0.000 2.095 513 L HA 0.037 4.377 4.340 -0.000 0.000 0.204 513 L C 3.121 179.963 176.870 -0.048 0.000 1.080 513 L CA 1.030 55.926 54.840 0.093 0.000 0.759 513 L CB -0.645 41.494 42.059 0.133 0.000 0.914 513 L HN 0.298 nan 8.230 nan 0.000 0.439 514 S N -0.180 115.344 115.700 -0.294 0.000 2.368 514 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 514 S C 1.887 176.417 174.600 -0.117 0.000 1.030 514 S CA 1.227 59.142 58.200 -0.476 0.000 0.999 514 S CB -0.336 62.593 63.200 -0.451 0.000 0.844 514 S HN 0.278 nan 8.310 nan 0.000 0.459 515 F N 0.216 120.110 119.950 -0.093 0.000 2.134 515 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 515 F C 2.195 178.100 175.800 0.175 0.000 1.097 515 F CA 0.912 58.883 58.000 -0.049 0.000 1.264 515 F CB -0.261 38.837 39.000 0.165 0.000 1.001 515 F HN 0.210 nan 8.300 nan 0.000 0.479 516 F N 0.204 120.389 119.950 0.391 0.000 2.186 516 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 516 F C 2.082 178.146 175.800 0.440 0.000 1.090 516 F CA 1.001 59.267 58.000 0.444 0.000 1.307 516 F CB -0.762 38.464 39.000 0.376 0.000 1.019 516 F HN -0.058 nan 8.300 nan 0.000 0.489 517 F N 1.508 121.441 119.950 -0.027 0.000 2.126 517 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 517 F C 2.254 177.983 175.800 -0.119 0.000 1.096 517 F CA 1.860 59.771 58.000 -0.149 0.000 1.255 517 F CB -0.765 37.933 39.000 -0.504 0.000 0.997 517 F HN -0.114 nan 8.300 nan 0.000 0.479 518 K N -0.948 119.323 120.400 -0.214 0.000 2.057 518 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 518 K C 2.141 178.774 176.600 0.055 0.000 1.049 518 K CA 1.633 57.776 56.287 -0.240 0.000 0.931 518 K CB -0.722 31.562 32.500 -0.360 0.000 0.714 518 K HN 0.289 nan 8.250 nan 0.000 0.440 519 F N 1.046 121.031 119.950 0.058 0.000 2.095 519 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 519 F C 2.190 177.996 175.800 0.011 0.000 1.104 519 F CA 1.252 59.292 58.000 0.067 0.000 1.232 519 F CB -0.783 38.254 39.000 0.061 0.000 0.987 519 F HN 0.052 nan 8.300 nan 0.000 0.475 520 Y N 0.644 120.743 120.300 -0.335 0.000 2.097 520 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 520 Y C 2.198 178.075 175.900 -0.037 0.000 1.152 520 Y CA 2.196 60.156 58.100 -0.234 0.000 1.136 520 Y CB -0.743 37.450 38.460 -0.446 0.000 0.975 520 Y HN 0.119 nan 8.280 nan 0.000 0.498 521 L N -1.015 120.024 121.223 -0.307 0.000 2.093 521 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 521 L C 2.301 179.028 176.870 -0.237 0.000 1.085 521 L CA 1.774 56.423 54.840 -0.318 0.000 0.755 521 L CB -0.883 40.964 42.059 -0.353 0.000 0.904 521 L HN 0.224 nan 8.230 nan 0.000 0.435 522 T N -0.587 113.862 114.554 -0.175 0.000 2.746 522 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 522 T C 2.007 176.551 174.700 -0.261 0.000 1.039 522 T CA 1.278 63.300 62.100 -0.131 0.000 1.142 522 T CB -0.222 68.652 68.868 0.010 0.000 0.866 522 T HN 0.065 nan 8.240 nan 0.000 0.444 523 V N 1.610 121.300 119.914 -0.374 0.000 2.407 523 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 523 V C 2.495 178.258 176.094 -0.553 0.000 1.055 523 V CA 1.371 63.307 62.300 -0.607 0.000 1.049 523 V CB -0.778 30.510 31.823 -0.892 0.000 0.662 523 V HN 0.426 nan 8.190 nan 0.000 0.455 524 L N -0.147 120.863 121.223 -0.354 0.000 1.989 524 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 524 L C 2.655 179.366 176.870 -0.264 0.000 1.071 524 L CA 2.205 56.883 54.840 -0.270 0.000 0.749 524 L CB -0.647 41.264 42.059 -0.246 0.000 0.890 524 L HN 0.319 nan 8.230 nan 0.000 0.431 525 K N 0.643 120.904 120.400 -0.231 0.000 2.044 525 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 525 K C 2.060 178.515 176.600 -0.242 0.000 1.049 525 K CA 1.686 57.865 56.287 -0.180 0.000 0.927 525 K CB 0.020 32.443 32.500 -0.129 0.000 0.713 525 K HN 0.221 nan 8.250 nan 0.000 0.443 526 K N 0.267 120.441 120.400 -0.378 0.000 2.288 526 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 526 K C 1.762 177.997 176.600 -0.607 0.000 1.048 526 K CA 0.662 56.629 56.287 -0.533 0.000 0.956 526 K CB 0.081 32.063 32.500 -0.863 0.000 0.746 526 K HN 0.203 nan 8.250 nan 0.000 0.461 527 L N -0.119 120.773 121.223 -0.551 0.000 2.591 527 L HA 0.044 4.384 4.340 -0.000 0.000 0.228 527 L C 1.804 178.533 176.870 -0.236 0.000 1.133 527 L CA 0.023 54.612 54.840 -0.419 0.000 0.880 527 L CB 0.163 41.954 42.059 -0.448 0.000 1.033 527 L HN 0.198 nan 8.230 nan 0.000 0.450 528 G N -1.062 107.615 108.800 -0.206 0.000 2.985 528 G HA2 0.015 3.975 3.960 -0.000 0.000 0.209 528 G HA3 0.015 3.975 3.960 -0.000 0.000 0.209 528 G C 0.856 175.703 174.900 -0.089 0.000 1.165 528 G CA -0.076 44.949 45.100 -0.126 0.000 0.776 528 G HN 0.155 nan 8.290 nan 0.000 0.541 529 K N -0.672 119.675 120.400 -0.089 0.000 4.777 529 K HA -0.279 4.041 4.320 -0.000 0.000 0.247 529 K C 1.132 177.712 176.600 -0.034 0.000 0.718 529 K CA 2.207 58.467 56.287 -0.045 0.000 0.778 529 K CB -1.276 31.205 32.500 -0.031 0.000 0.780 529 K HN 0.332 nan 8.250 nan 0.000 0.811 530 D N -4.092 116.293 120.400 -0.025 0.000 1.959 530 D HA -0.099 4.541 4.640 -0.000 0.000 0.238 530 D C -0.407 175.888 176.300 -0.008 0.000 1.038 530 D CA 1.706 55.696 54.000 -0.017 0.000 1.454 530 D CB -0.812 39.978 40.800 -0.016 0.000 1.425 530 D HN 0.613 nan 8.370 nan 0.000 0.702 538 L N 0.433 121.635 121.223 -0.035 0.000 3.002 538 L HA 0.305 4.645 4.340 -0.000 0.000 0.267 538 L C -1.657 175.197 176.870 -0.027 0.000 0.997 538 L CA -0.503 54.319 54.840 -0.031 0.000 0.961 538 L CB 1.639 43.699 42.059 0.002 0.000 1.502 538 L HN 0.759 nan 8.230 nan 0.000 0.408 539 D N 2.276 122.621 120.400 -0.092 0.000 2.443 539 D HA 0.044 4.684 4.640 -0.000 0.000 0.234 539 D C -1.830 174.506 176.300 0.060 0.000 1.172 539 D CA -0.559 53.380 54.000 -0.102 0.000 0.878 539 D CB 1.688 42.244 40.800 -0.408 0.000 1.204 539 D HN 0.394 nan 8.370 nan 0.000 0.453 540 P HA -0.094 nan 4.420 nan 0.000 0.215 540 P C 0.909 178.287 177.300 0.131 0.000 1.153 540 P CA 1.678 64.824 63.100 0.077 0.000 0.853 540 P CB -0.033 31.692 31.700 0.042 0.000 0.788 541 T N -5.233 109.453 114.554 0.219 0.000 3.324 541 T HA 0.106 4.456 4.350 -0.000 0.000 0.250 541 T C 0.696 175.604 174.700 0.347 0.000 1.059 541 T CA 0.188 62.415 62.100 0.212 0.000 0.951 541 T CB -0.840 68.118 68.868 0.149 0.000 1.030 541 T HN -0.011 nan 8.240 nan 0.000 0.576 542 Y N 0.628 121.000 120.300 0.120 0.000 2.664 542 Y HA 0.236 4.786 4.550 -0.000 0.000 0.278 542 Y C 2.685 178.657 175.900 0.121 0.000 1.130 542 Y CA -0.207 58.017 58.100 0.208 0.000 1.260 542 Y CB -0.395 38.183 38.460 0.197 0.000 1.369 542 Y HN 0.193 nan 8.280 nan 0.000 0.499 543 T N -0.374 114.299 114.554 0.198 0.000 2.751 543 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 543 T C 2.136 176.878 174.700 0.071 0.000 1.045 543 T CA 1.930 64.088 62.100 0.096 0.000 1.142 543 T CB -0.505 68.404 68.868 0.067 0.000 0.851 543 T HN 0.344 nan 8.240 nan 0.000 0.474 544 S N 1.023 116.770 115.700 0.079 0.000 2.419 544 S HA -0.017 4.453 4.470 -0.000 0.000 0.235 544 S C 1.946 176.587 174.600 0.069 0.000 1.019 544 S CA 1.024 59.267 58.200 0.071 0.000 0.982 544 S CB -0.350 62.885 63.200 0.059 0.000 0.789 544 S HN 0.582 nan 8.310 nan 0.000 0.490 545 A N 0.503 123.353 122.820 0.050 0.000 2.302 545 A HA 0.280 4.600 4.320 -0.000 0.000 0.219 545 A C 1.488 179.023 177.584 -0.082 0.000 1.243 545 A CA 0.792 52.802 52.037 -0.045 0.000 0.856 545 A CB -0.540 18.336 19.000 -0.207 0.000 0.893 545 A HN 0.640 nan 8.150 nan 0.000 0.491 546 T N -2.064 112.485 114.554 -0.009 0.000 3.380 546 T HA 0.592 4.942 4.350 -0.000 0.000 0.289 546 T C -0.323 174.415 174.700 0.063 0.000 1.012 546 T CA -0.313 61.795 62.100 0.015 0.000 0.944 546 T CB -0.765 68.097 68.868 -0.011 0.000 1.172 546 T HN 0.107 nan 8.240 nan 0.000 0.502 547 L N 1.496 122.766 121.223 0.079 0.000 2.385 547 L HA 0.612 4.952 4.340 -0.000 0.000 0.273 547 L C -0.156 176.799 176.870 0.141 0.000 0.990 547 L CA -1.222 53.677 54.840 0.099 0.000 0.821 547 L CB 2.307 44.412 42.059 0.076 0.000 1.279 547 L HN 0.115 nan 8.230 nan 0.000 0.412 548 L N 1.743 123.071 121.223 0.174 0.000 2.453 548 L HA 0.265 4.605 4.340 -0.000 0.000 0.261 548 L C 0.172 177.197 176.870 0.259 0.000 1.179 548 L CA -0.290 54.699 54.840 0.248 0.000 0.813 548 L CB 0.580 42.792 42.059 0.255 0.000 1.110 548 L HN 0.435 nan 8.230 nan 0.000 0.466 549 F N 2.054 122.131 119.950 0.210 0.000 2.646 549 F HA -0.072 4.455 4.527 -0.000 0.000 0.363 549 F C 0.224 176.162 175.800 0.230 0.000 1.143 549 F CA 0.531 58.653 58.000 0.204 0.000 1.356 549 F CB 0.301 39.446 39.000 0.242 0.000 1.055 549 F HN 0.367 nan 8.300 nan 0.000 0.606 550 Q N 4.918 124.419 119.800 -0.497 0.000 2.285 550 Q HA 0.266 4.606 4.340 -0.000 0.000 0.269 550 Q C -1.173 174.682 176.000 -0.242 0.000 1.030 550 Q CA -0.997 54.705 55.803 -0.169 0.000 0.788 550 Q CB 2.167 30.855 28.738 -0.083 0.000 1.266 550 Q HN 0.579 nan 8.270 nan 0.000 0.438 551 K N 1.915 122.386 120.400 0.119 0.000 2.267 551 K HA 0.268 4.588 4.320 -0.000 0.000 0.282 551 K C -0.395 176.303 176.600 0.164 0.000 1.078 551 K CA -0.440 55.970 56.287 0.206 0.000 0.903 551 K CB 0.607 33.297 32.500 0.317 0.000 1.111 551 K HN 0.404 nan 8.250 nan 0.000 0.475 552 H N 3.584 122.678 119.070 0.041 0.000 2.551 552 H HA 0.200 4.756 4.556 -0.000 0.000 0.358 552 H C -2.089 173.283 175.328 0.072 0.000 1.151 552 H CA -1.737 54.333 56.048 0.038 0.000 1.374 552 H CB 0.739 30.506 29.762 0.008 0.000 1.473 552 H HN 0.411 nan 8.280 nan 0.000 0.574 553 P HA 0.101 nan 4.420 nan 0.000 0.271 553 P C -2.617 174.646 177.300 -0.062 0.000 1.226 553 P CA -1.181 61.822 63.100 -0.161 0.000 0.765 553 P CB 0.270 31.844 31.700 -0.210 0.000 0.835 554 P HA 0.225 nan 4.420 nan 0.000 0.269 554 P C -0.963 176.391 177.300 0.091 0.000 1.209 554 P CA -0.178 62.986 63.100 0.107 0.000 0.776 554 P CB 0.733 32.525 31.700 0.152 0.000 0.876 555 A N 2.760 125.645 122.820 0.109 0.000 2.530 555 A HA 0.461 4.780 4.320 -0.000 0.000 0.279 555 A C -0.850 176.801 177.584 0.111 0.000 1.109 555 A CA -0.715 51.378 52.037 0.093 0.000 0.763 555 A CB 0.503 19.547 19.000 0.074 0.000 1.257 555 A HN 0.546 nan 8.150 nan 0.000 0.424 556 N N 1.525 120.290 118.700 0.109 0.000 2.284 556 N HA 0.725 5.465 4.740 -0.000 0.000 0.300 556 N C -1.350 174.199 175.510 0.065 0.000 1.047 556 N CA -0.326 52.790 53.050 0.110 0.000 0.821 556 N CB 2.071 40.633 38.487 0.125 0.000 1.337 556 N HN 0.390 nan 8.380 nan 0.000 0.482 557 I N 1.322 121.924 120.570 0.054 0.000 2.545 557 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 557 I C -0.656 175.477 176.117 0.027 0.000 1.040 557 I CA -0.467 60.851 61.300 0.030 0.000 1.068 557 I CB 1.959 39.973 38.000 0.023 0.000 1.251 557 I HN 0.267 nan 8.210 nan 0.000 0.424 558 Q N 6.108 125.931 119.800 0.037 0.000 2.330 558 Q HA 0.837 5.177 4.340 -0.000 0.000 0.269 558 Q C -1.359 174.731 176.000 0.149 0.000 1.022 558 Q CA -0.478 55.371 55.803 0.077 0.000 0.796 558 Q CB 2.530 31.309 28.738 0.069 0.000 1.271 558 Q HN 0.582 nan 8.270 nan 0.000 0.450 559 L N 0.187 121.504 121.223 0.156 0.000 2.438 559 L HA 0.857 5.197 4.340 -0.000 0.000 0.270 559 L C -1.016 175.953 176.870 0.165 0.000 0.972 559 L CA -1.035 53.850 54.840 0.075 0.000 0.831 559 L CB 0.868 42.904 42.059 -0.037 0.000 1.273 559 L HN 0.605 nan 8.230 nan 0.000 0.405 560 F N -0.117 119.809 119.950 -0.040 0.000 2.790 560 F HA 0.678 5.205 4.527 -0.000 0.000 0.337 560 F C -0.433 175.350 175.800 -0.029 0.000 1.163 560 F CA -1.118 56.862 58.000 -0.034 0.000 0.997 560 F CB 1.509 40.484 39.000 -0.042 0.000 1.437 560 F HN 0.631 nan 8.300 nan 0.000 0.512 561 Q N 1.130 120.935 119.800 0.009 0.000 2.230 561 Q HA 0.299 4.639 4.340 -0.000 0.000 0.253 561 Q C -0.717 175.252 176.000 -0.052 0.000 0.919 561 Q CA -0.741 55.018 55.803 -0.074 0.000 0.908 561 Q CB 1.690 30.429 28.738 0.000 0.000 1.245 561 Q HN 0.653 nan 8.270 nan 0.000 0.437 562 E N 1.547 121.680 120.200 -0.111 0.000 2.392 562 E HA 0.194 4.544 4.350 -0.000 0.000 0.259 562 E C -0.964 175.633 176.600 -0.006 0.000 1.108 562 E CA -0.401 55.963 56.400 -0.060 0.000 0.916 562 E CB 0.908 30.557 29.700 -0.084 0.000 0.989 562 E HN 0.411 nan 8.360 nan 0.000 0.432 563 V N 0.726 120.646 119.914 0.011 0.000 2.904 563 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 563 V C -2.101 173.991 176.094 -0.005 0.000 1.067 563 V CA -2.058 60.246 62.300 0.007 0.000 1.044 563 V CB 0.491 32.319 31.823 0.007 0.000 1.050 563 V HN 0.694 nan 8.190 nan 0.000 0.475 564 P HA 0.017 nan 4.420 nan 0.000 0.257 564 P C 0.673 177.969 177.300 -0.007 0.000 1.162 564 P CA 0.740 63.836 63.100 -0.007 0.000 0.762 564 P CB 0.076 31.772 31.700 -0.006 0.000 0.753 565 N N 3.180 121.876 118.700 -0.007 0.000 2.144 565 N HA -0.174 4.566 4.740 -0.000 0.000 0.195 565 N C 0.983 176.491 175.510 -0.004 0.000 1.006 565 N CA 2.005 55.050 53.050 -0.007 0.000 0.880 565 N CB -0.311 38.171 38.487 -0.007 0.000 1.018 565 N HN 0.532 nan 8.380 nan 0.000 0.443 566 G N -0.195 108.603 108.800 -0.002 0.000 4.477 566 G HA2 0.229 4.189 3.960 -0.000 0.000 0.319 566 G HA3 0.229 4.189 3.960 -0.000 0.000 0.319 566 G C -0.950 173.949 174.900 -0.001 0.000 1.391 566 G CA -0.432 44.668 45.100 0.000 0.000 1.261 566 G HN 0.332 nan 8.290 nan 0.000 0.556 567 Q N 0.818 120.616 119.800 -0.004 0.000 2.337 567 Q HA 0.519 4.859 4.340 -0.000 0.000 0.266 567 Q C 0.008 176.003 176.000 -0.009 0.000 1.023 567 Q CA -0.616 55.182 55.803 -0.010 0.000 0.829 567 Q CB 1.721 30.448 28.738 -0.018 0.000 1.306 567 Q HN 0.261 nan 8.270 nan 0.000 0.449 568 S N 2.255 117.949 115.700 -0.010 0.000 2.558 568 S HA -0.054 4.416 4.470 -0.000 0.000 0.293 568 S C 0.977 175.570 174.600 -0.011 0.000 1.292 568 S CA 0.240 58.435 58.200 -0.008 0.000 1.063 568 S CB 0.569 63.764 63.200 -0.008 0.000 0.831 568 S HN 0.761 nan 8.310 nan 0.000 0.499 569 K N 3.073 123.469 120.400 -0.005 0.000 2.360 569 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 569 K C 1.267 177.862 176.600 -0.009 0.000 1.046 569 K CA 1.313 57.598 56.287 -0.004 0.000 0.945 569 K CB -0.007 32.494 32.500 0.002 0.000 0.750 569 K HN 0.734 nan 8.250 nan 0.000 0.464 570 E N 0.300 120.491 120.200 -0.015 0.000 2.447 570 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 570 E C -0.345 176.232 176.600 -0.038 0.000 1.028 570 E CA -0.007 56.379 56.400 -0.025 0.000 0.876 570 E CB 0.272 29.955 29.700 -0.029 0.000 0.885 570 E HN 0.168 nan 8.360 nan 0.000 0.500 571 D N 0.782 121.157 120.400 -0.041 0.000 2.494 571 D HA -0.015 4.625 4.640 -0.000 0.000 0.217 571 D C 1.022 177.283 176.300 -0.066 0.000 1.153 571 D CA 0.024 53.984 54.000 -0.067 0.000 0.954 571 D CB 0.720 41.475 40.800 -0.075 0.000 1.034 571 D HN -0.029 nan 8.370 nan 0.000 0.518 572 T N -0.357 114.162 114.554 -0.059 0.000 2.962 572 T HA -0.055 4.295 4.350 -0.000 0.000 0.270 572 T C 1.147 175.811 174.700 -0.060 0.000 1.088 572 T CA -0.070 62.004 62.100 -0.043 0.000 1.127 572 T CB -0.247 68.605 68.868 -0.026 0.000 0.883 572 T HN 0.120 nan 8.240 nan 0.000 0.493 573 V N 2.579 122.426 119.914 -0.111 0.000 2.475 573 V HA 0.393 4.513 4.120 -0.000 0.000 0.292 573 V C 1.700 177.735 176.094 -0.099 0.000 1.003 573 V CA 1.207 63.423 62.300 -0.141 0.000 1.120 573 V CB -0.489 31.144 31.823 -0.317 0.000 0.937 573 V HN 0.898 nan 8.190 nan 0.000 0.476 574 G N 4.775 113.543 108.800 -0.053 0.000 2.238 574 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 574 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 574 G C 0.273 175.184 174.900 0.019 0.000 0.996 574 G CA -0.140 44.952 45.100 -0.014 0.000 0.632 574 G HN 0.601 nan 8.290 nan 0.000 0.503 575 R N 1.240 121.742 120.500 0.005 0.000 2.532 575 R HA 0.490 4.830 4.340 -0.000 0.000 0.272 575 R C -2.276 174.018 176.300 -0.009 0.000 1.032 575 R CA -1.535 54.583 56.100 0.030 0.000 1.089 575 R CB 1.231 31.549 30.300 0.029 0.000 1.098 575 R HN 0.057 nan 8.270 nan 0.000 0.526 576 P HA 0.022 nan 4.420 nan 0.000 0.220 576 P C -0.762 176.567 177.300 0.049 0.000 1.806 576 P CA -0.202 62.839 63.100 -0.099 0.000 0.976 576 P CB -0.026 31.559 31.700 -0.191 0.000 1.952 577 L N 4.256 125.507 121.223 0.046 0.000 2.433 577 L HA 0.310 4.650 4.340 -0.000 0.000 0.275 577 L C -2.153 174.808 176.870 0.153 0.000 1.128 577 L CA -2.015 52.880 54.840 0.092 0.000 0.875 577 L CB -0.256 41.828 42.059 0.041 0.000 1.171 577 L HN 0.056 nan 8.230 nan 0.000 0.463 578 P HA -0.057 nan 4.420 nan 0.000 0.270 578 P C -0.567 176.843 177.300 0.183 0.000 1.223 578 P CA -0.140 63.111 63.100 0.253 0.000 0.785 578 P CB 0.262 32.013 31.700 0.085 0.000 0.923 579 H N 2.613 121.746 119.070 0.106 0.000 3.187 579 H HA -0.028 4.528 4.556 -0.000 0.000 0.286 579 H C 1.261 176.622 175.328 0.055 0.000 0.944 579 H CA 0.470 56.558 56.048 0.067 0.000 1.429 579 H CB 0.067 29.865 29.762 0.059 0.000 1.483 579 H HN 0.325 nan 8.280 nan 0.000 0.555 580 L N 4.047 125.303 121.223 0.055 0.000 2.456 580 L HA -0.244 4.096 4.340 -0.000 0.000 0.225 580 L C 2.039 179.021 176.870 0.186 0.000 1.142 580 L CA 1.429 56.329 54.840 0.099 0.000 0.796 580 L CB -0.324 41.753 42.059 0.029 0.000 0.920 580 L HN 0.599 nan 8.230 nan 0.000 0.446 581 A N -1.297 121.748 122.820 0.375 0.000 2.431 581 A HA 0.476 4.795 4.320 -0.000 0.000 0.239 581 A C 2.283 179.945 177.584 0.130 0.000 1.230 581 A CA 0.551 52.731 52.037 0.237 0.000 0.928 581 A CB -0.032 19.111 19.000 0.238 0.000 1.006 581 A HN 0.229 nan 8.150 nan 0.000 0.520 582 A N 0.765 123.664 122.820 0.131 0.000 1.884 582 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 582 A C 2.461 180.058 177.584 0.023 0.000 1.197 582 A CA 2.488 54.541 52.037 0.026 0.000 0.637 582 A CB -1.087 17.934 19.000 0.035 0.000 0.827 582 A HN 1.217 nan 8.150 nan 0.000 0.450 583 A N -0.954 121.889 122.820 0.039 0.000 1.908 583 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 583 A C 2.257 179.860 177.584 0.032 0.000 1.181 583 A CA 1.992 54.047 52.037 0.030 0.000 0.627 583 A CB -0.530 18.491 19.000 0.035 0.000 0.818 583 A HN 0.563 nan 8.150 nan 0.000 0.445 584 M N -1.177 118.448 119.600 0.041 0.000 2.394 584 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 584 M C 2.185 178.509 176.300 0.041 0.000 1.073 584 M CA 1.046 56.367 55.300 0.036 0.000 1.111 584 M CB -0.140 32.483 32.600 0.037 0.000 1.401 584 M HN 0.490 nan 8.290 nan 0.000 0.448 585 Q N -0.055 119.773 119.800 0.047 0.000 2.212 585 Q HA 0.074 4.414 4.340 -0.000 0.000 0.199 585 Q C 1.953 177.982 176.000 0.048 0.000 0.950 585 Q CA 1.120 56.967 55.803 0.073 0.000 0.863 585 Q CB -0.001 28.777 28.738 0.066 0.000 0.944 585 Q HN 0.532 nan 8.270 nan 0.000 0.465 586 A N 0.607 123.446 122.820 0.032 0.000 2.235 586 A HA -0.018 4.302 4.320 -0.000 0.000 0.208 586 A C 1.676 179.275 177.584 0.024 0.000 1.172 586 A CA 1.035 53.092 52.037 0.034 0.000 0.786 586 A CB -0.041 18.979 19.000 0.032 0.000 0.804 586 A HN 0.318 nan 8.150 nan 0.000 0.479 587 S N -3.615 112.095 115.700 0.017 0.000 2.733 587 S HA 0.426 4.896 4.470 -0.000 0.000 0.247 587 S C 1.269 175.865 174.600 -0.007 0.000 1.043 587 S CA 1.012 59.212 58.200 -0.000 0.000 1.066 587 S CB 0.024 63.227 63.200 0.004 0.000 1.045 587 S HN 1.762 nan 8.310 nan 0.000 0.586 588 G N 1.807 110.611 108.800 0.006 0.000 2.159 588 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.256 588 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.256 588 G C 0.508 175.419 174.900 0.018 0.000 0.977 588 G CA 0.526 45.628 45.100 0.004 0.000 0.652 588 G HN 0.591 nan 8.290 nan 0.000 0.531 589 E N 0.135 120.346 120.200 0.019 0.000 2.318 589 E HA 0.392 4.742 4.350 -0.000 0.000 0.193 589 E C 1.693 178.299 176.600 0.010 0.000 0.998 589 E CA 0.337 56.744 56.400 0.010 0.000 0.859 589 E CB 0.217 29.919 29.700 0.005 0.000 0.812 589 E HN 0.793 nan 8.360 nan 0.000 0.492 590 A N 1.797 124.632 122.820 0.025 0.000 2.511 590 A HA 0.203 4.523 4.320 -0.000 0.000 0.242 590 A C 0.171 177.713 177.584 -0.070 0.000 1.069 590 A CA -0.097 51.916 52.037 -0.040 0.000 0.763 590 A CB 0.364 19.351 19.000 -0.022 0.000 1.001 590 A HN -0.001 nan 8.150 nan 0.000 0.498 591 V N 3.605 123.411 119.914 -0.179 0.000 2.394 591 V HA 0.402 4.521 4.120 -0.000 0.000 0.282 591 V C -0.666 175.266 176.094 -0.270 0.000 1.031 591 V CA -0.214 62.016 62.300 -0.116 0.000 0.881 591 V CB 0.500 32.282 31.823 -0.068 0.000 0.982 591 V HN 0.761 nan 8.190 nan 0.000 0.451 592 Y N 1.296 121.640 120.300 0.074 0.000 2.567 592 Y HA 0.367 4.917 4.550 -0.000 0.000 0.333 592 Y C 1.493 177.436 175.900 0.073 0.000 1.106 592 Y CA -0.467 57.699 58.100 0.110 0.000 1.157 592 Y CB 0.977 39.589 38.460 0.253 0.000 1.277 592 Y HN 0.661 nan 8.280 nan 0.000 0.490 593 C N 0.853 120.280 119.300 0.212 0.000 2.326 593 C HA -0.324 4.136 4.460 -0.000 0.000 0.269 593 C C 2.512 177.563 174.990 0.102 0.000 1.140 593 C CA 2.686 61.782 59.018 0.130 0.000 1.798 593 C CB -0.773 27.034 27.740 0.111 0.000 2.053 593 C HN 1.106 nan 8.230 nan 0.000 0.438 594 D N -0.699 119.784 120.400 0.140 0.000 2.312 594 D HA -0.061 4.578 4.640 -0.000 0.000 0.211 594 D C 1.584 177.939 176.300 0.092 0.000 0.964 594 D CA 0.914 54.983 54.000 0.114 0.000 0.877 594 D CB -0.313 40.573 40.800 0.143 0.000 0.924 594 D HN 0.525 nan 8.370 nan 0.000 0.515 595 D N -0.156 120.315 120.400 0.119 0.000 2.264 595 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 595 D C 0.589 176.889 176.300 -0.000 0.000 0.966 595 D CA 0.240 54.288 54.000 0.079 0.000 0.864 595 D CB -0.026 40.857 40.800 0.139 0.000 0.933 595 D HN 0.363 nan 8.370 nan 0.000 0.499 596 I N 2.492 123.039 120.570 -0.038 0.000 2.741 596 I HA -0.031 4.139 4.170 -0.000 0.000 0.288 596 I C -1.849 174.177 176.117 -0.151 0.000 1.192 596 I CA -1.338 59.877 61.300 -0.142 0.000 1.426 596 I CB 0.214 38.064 38.000 -0.250 0.000 1.367 596 I HN -0.246 nan 8.210 nan 0.000 0.563 597 P HA 0.001 nan 4.420 nan 0.000 0.269 597 P C -0.669 176.492 177.300 -0.231 0.000 1.211 597 P CA -0.155 62.836 63.100 -0.182 0.000 0.781 597 P CB 0.422 31.996 31.700 -0.209 0.000 0.877 598 R N 1.884 122.285 120.500 -0.166 0.000 2.532 598 R HA 0.319 4.659 4.340 -0.000 0.000 0.295 598 R C -0.746 175.462 176.300 -0.153 0.000 0.968 598 R CA -0.608 55.411 56.100 -0.135 0.000 0.916 598 R CB 0.373 30.664 30.300 -0.016 0.000 1.124 598 R HN 0.369 nan 8.270 nan 0.000 0.463 599 Y N 1.745 122.010 120.300 -0.058 0.000 2.379 599 Y HA -0.066 4.484 4.550 -0.000 0.000 0.337 599 Y C 1.583 177.476 175.900 -0.012 0.000 1.238 599 Y CA 0.527 58.604 58.100 -0.039 0.000 1.405 599 Y CB 1.185 39.621 38.460 -0.040 0.000 1.310 599 Y HN 0.751 nan 8.280 nan 0.000 0.569 600 E N 0.229 120.537 120.200 0.180 0.000 2.219 600 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 600 E C 0.563 177.235 176.600 0.120 0.000 0.998 600 E CA 1.787 58.254 56.400 0.111 0.000 0.818 600 E CB -0.249 29.500 29.700 0.081 0.000 0.741 600 E HN 0.664 nan 8.360 nan 0.000 0.477 601 N N 0.675 119.454 118.700 0.132 0.000 2.275 601 N HA 0.032 4.772 4.740 -0.000 0.000 0.236 601 N C -0.712 174.928 175.510 0.217 0.000 1.154 601 N CA -0.197 52.949 53.050 0.159 0.000 0.866 601 N CB 0.286 38.784 38.487 0.019 0.000 1.093 601 N HN 0.180 nan 8.380 nan 0.000 0.515 602 E N 1.143 121.429 120.200 0.144 0.000 2.290 602 E HA 0.221 4.571 4.350 -0.000 0.000 0.277 602 E C -0.421 176.145 176.600 -0.058 0.000 1.035 602 E CA -0.259 56.165 56.400 0.039 0.000 0.873 602 E CB 0.778 30.473 29.700 -0.009 0.000 1.029 602 E HN 0.275 nan 8.360 nan 0.000 0.419 603 L N 3.689 124.850 121.223 -0.103 0.000 2.358 603 L HA 0.477 4.817 4.340 -0.000 0.000 0.268 603 L C -0.476 176.245 176.870 -0.249 0.000 1.032 603 L CA -0.879 53.914 54.840 -0.078 0.000 0.805 603 L CB 0.700 42.705 42.059 -0.091 0.000 1.253 603 L HN 0.482 nan 8.230 nan 0.000 0.452 604 F N 1.218 121.180 119.950 0.020 0.000 2.480 604 F HA 0.581 5.108 4.527 -0.000 0.000 0.329 604 F C -0.128 175.694 175.800 0.038 0.000 1.091 604 F CA -0.523 57.499 58.000 0.036 0.000 0.972 604 F CB 1.765 40.788 39.000 0.038 0.000 1.150 604 F HN 0.180 nan 8.300 nan 0.000 0.467 605 L N 3.504 124.855 121.223 0.214 0.000 2.341 605 L HA 0.742 5.082 4.340 -0.000 0.000 0.278 605 L C -1.069 175.907 176.870 0.177 0.000 1.005 605 L CA -0.851 54.086 54.840 0.161 0.000 0.818 605 L CB 1.465 43.593 42.059 0.116 0.000 1.259 605 L HN 0.682 nan 8.230 nan 0.000 0.418 606 R N 4.728 125.329 120.500 0.169 0.000 2.476 606 R HA 0.548 4.888 4.340 -0.000 0.000 0.305 606 R C -1.582 174.818 176.300 0.167 0.000 0.965 606 R CA -0.413 55.785 56.100 0.163 0.000 0.867 606 R CB 1.154 31.550 30.300 0.160 0.000 1.176 606 R HN 0.695 nan 8.270 nan 0.000 0.447 607 L N 3.844 125.166 121.223 0.165 0.000 2.453 607 L HA 0.263 4.603 4.340 -0.000 0.000 0.272 607 L C -0.217 176.756 176.870 0.172 0.000 1.182 607 L CA -0.492 54.455 54.840 0.177 0.000 0.858 607 L CB 1.075 43.243 42.059 0.182 0.000 1.120 607 L HN 0.336 nan 8.230 nan 0.000 0.474 608 V N 2.499 122.515 119.914 0.170 0.000 2.333 608 V HA 0.293 4.413 4.120 -0.000 0.000 0.274 608 V C 0.385 176.573 176.094 0.156 0.000 1.028 608 V CA -0.411 61.995 62.300 0.178 0.000 0.851 608 V CB 1.311 33.290 31.823 0.261 0.000 1.000 608 V HN 0.933 nan 8.190 nan 0.000 0.456 609 T N 1.497 116.147 114.554 0.160 0.000 2.952 609 T HA 0.502 4.852 4.350 -0.000 0.000 0.286 609 T C 0.207 175.021 174.700 0.190 0.000 1.024 609 T CA -0.671 61.531 62.100 0.170 0.000 1.029 609 T CB 1.686 70.658 68.868 0.173 0.000 1.094 609 T HN 0.479 nan 8.240 nan 0.000 0.515 610 S N 0.354 116.180 115.700 0.210 0.000 2.549 610 S HA 0.265 4.735 4.470 -0.000 0.000 0.283 610 S C 1.299 175.989 174.600 0.151 0.000 1.320 610 S CA -0.067 58.286 58.200 0.256 0.000 1.058 610 S CB -0.064 63.284 63.200 0.247 0.000 0.882 610 S HN 0.922 nan 8.310 nan 0.000 0.498 611 T N 2.616 117.212 114.554 0.069 0.000 3.069 611 T HA 0.348 4.698 4.350 -0.000 0.000 0.252 611 T C 0.446 175.034 174.700 -0.187 0.000 1.053 611 T CA -0.354 61.728 62.100 -0.030 0.000 0.964 611 T CB 0.090 68.971 68.868 0.021 0.000 1.005 611 T HN 0.380 nan 8.240 nan 0.000 0.532 612 R N 0.671 120.949 120.500 -0.369 0.000 2.589 612 R HA 0.743 5.083 4.340 -0.000 0.000 0.293 612 R C 1.053 177.297 176.300 -0.094 0.000 0.963 612 R CA -0.195 55.708 56.100 -0.329 0.000 0.905 612 R CB 1.285 31.204 30.300 -0.634 0.000 1.144 612 R HN 0.185 nan 8.270 nan 0.000 0.459 613 A N 1.253 124.060 122.820 -0.022 0.000 2.067 613 A HA -0.096 4.223 4.320 -0.000 0.000 0.219 613 A C 0.433 178.095 177.584 0.131 0.000 1.158 613 A CA 1.310 53.376 52.037 0.050 0.000 0.661 613 A CB -0.185 18.841 19.000 0.043 0.000 0.801 613 A HN 0.792 nan 8.150 nan 0.000 0.452 614 H N -2.869 116.200 119.070 -0.001 0.000 3.159 614 H HA 0.492 5.048 4.556 -0.000 0.000 0.313 614 H C -0.996 174.353 175.328 0.035 0.000 1.071 614 H CA -0.304 55.767 56.048 0.039 0.000 1.451 614 H CB 0.632 30.411 29.762 0.028 0.000 2.075 614 H HN 0.542 nan 8.280 nan 0.000 0.443 615 A N 3.959 126.983 122.820 0.339 0.000 2.456 615 A HA 0.403 4.723 4.320 -0.000 0.000 0.294 615 A C -1.694 176.038 177.584 0.247 0.000 1.057 615 A CA -1.023 51.120 52.037 0.177 0.000 0.623 615 A CB 1.388 20.475 19.000 0.146 0.000 1.338 615 A HN 0.511 nan 8.150 nan 0.000 0.464 616 K N 0.338 120.848 120.400 0.184 0.000 2.110 616 K HA 0.645 4.965 4.320 -0.000 0.000 0.263 616 K C -0.995 175.693 176.600 0.146 0.000 0.975 616 K CA -0.275 56.100 56.287 0.148 0.000 0.895 616 K CB 1.431 33.983 32.500 0.086 0.000 1.060 616 K HN 0.495 nan 8.250 nan 0.000 0.448 617 I N 3.613 124.223 120.570 0.068 0.000 2.301 617 I HA 0.089 4.259 4.170 -0.000 0.000 0.292 617 I C 1.035 177.122 176.117 -0.050 0.000 1.046 617 I CA -0.116 61.150 61.300 -0.057 0.000 1.282 617 I CB 0.750 38.713 38.000 -0.063 0.000 1.409 617 I HN 0.490 nan 8.210 nan 0.000 0.484 618 K N 3.115 123.469 120.400 -0.077 0.000 2.352 618 K HA 0.194 4.513 4.320 -0.000 0.000 0.194 618 K C 0.412 176.973 176.600 -0.064 0.000 1.038 618 K CA 0.309 56.568 56.287 -0.045 0.000 1.023 618 K CB 0.674 33.161 32.500 -0.023 0.000 0.840 618 K HN 0.591 nan 8.250 nan 0.000 0.519 619 S N 0.296 115.930 115.700 -0.111 0.000 2.580 619 S HA 0.416 4.886 4.470 -0.000 0.000 0.281 619 S C -1.895 172.615 174.600 -0.151 0.000 1.129 619 S CA -0.834 57.304 58.200 -0.104 0.000 0.862 619 S CB 0.896 64.045 63.200 -0.085 0.000 1.090 619 S HN 0.104 nan 8.310 nan 0.000 0.451 620 I N 3.215 123.707 120.570 -0.130 0.000 2.447 620 I HA 0.425 4.595 4.170 -0.000 0.000 0.287 620 I C -1.249 174.750 176.117 -0.198 0.000 1.023 620 I CA -0.620 60.572 61.300 -0.179 0.000 1.083 620 I CB 1.980 39.899 38.000 -0.134 0.000 1.245 620 I HN 0.565 nan 8.210 nan 0.000 0.434 621 D N 5.497 125.755 120.400 -0.237 0.000 2.391 621 D HA 0.398 5.038 4.640 -0.000 0.000 0.245 621 D C 0.233 176.347 176.300 -0.310 0.000 1.069 621 D CA -0.404 53.462 54.000 -0.222 0.000 0.831 621 D CB 2.338 43.039 40.800 -0.165 0.000 1.204 621 D HN 0.340 nan 8.370 nan 0.000 0.503 622 V N 0.989 120.717 119.914 -0.310 0.000 3.276 622 V HA 0.207 4.327 4.120 -0.000 0.000 0.319 622 V C 1.459 177.359 176.094 -0.322 0.000 1.427 622 V CA 0.008 62.084 62.300 -0.374 0.000 1.102 622 V CB 0.100 31.679 31.823 -0.406 0.000 1.020 622 V HN 0.354 nan 8.190 nan 0.000 0.456 623 S N 1.177 116.738 115.700 -0.233 0.000 2.374 623 S HA -0.191 4.279 4.470 -0.000 0.000 0.227 623 S C 1.913 176.384 174.600 -0.216 0.000 1.037 623 S CA 2.190 60.274 58.200 -0.195 0.000 1.024 623 S CB -0.228 62.891 63.200 -0.136 0.000 0.861 623 S HN 0.699 nan 8.310 nan 0.000 0.456 624 E N 1.212 121.289 120.200 -0.206 0.000 2.046 624 E HA 0.023 4.373 4.350 -0.000 0.000 0.190 624 E C 2.420 178.880 176.600 -0.234 0.000 0.982 624 E CA 1.043 57.336 56.400 -0.179 0.000 0.800 624 E CB -0.612 29.005 29.700 -0.138 0.000 0.756 624 E HN 0.437 nan 8.360 nan 0.000 0.449 625 A N 1.440 124.071 122.820 -0.316 0.000 1.851 625 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 625 A C 2.108 179.242 177.584 -0.750 0.000 1.195 625 A CA 1.991 53.781 52.037 -0.411 0.000 0.622 625 A CB -0.832 17.922 19.000 -0.411 0.000 0.831 625 A HN 0.283 nan 8.150 nan 0.000 0.444 626 Q N -0.460 118.702 119.800 -1.064 0.000 2.325 626 Q HA -0.216 4.124 4.340 -0.000 0.000 0.211 626 Q C 1.741 177.510 176.000 -0.386 0.000 0.988 626 Q CA 1.721 56.907 55.803 -1.028 0.000 0.887 626 Q CB -0.238 28.171 28.738 -0.548 0.000 0.915 626 Q HN 0.667 nan 8.270 nan 0.000 0.440 627 K N 0.025 120.257 120.400 -0.280 0.000 2.365 627 K HA 0.060 4.380 4.320 -0.000 0.000 0.197 627 K C 0.199 176.737 176.600 -0.103 0.000 1.042 627 K CA 0.028 56.229 56.287 -0.142 0.000 0.987 627 K CB 0.474 32.904 32.500 -0.117 0.000 0.779 627 K HN -0.029 nan 8.250 nan 0.000 0.484 628 V N 3.430 123.277 119.914 -0.111 0.000 2.637 628 V HA 0.055 4.175 4.120 -0.000 0.000 0.296 628 V C -2.238 173.793 176.094 -0.105 0.000 1.046 628 V CA -1.709 60.544 62.300 -0.079 0.000 1.066 628 V CB 0.438 32.248 31.823 -0.022 0.000 0.968 628 V HN 0.031 nan 8.190 nan 0.000 0.483 629 P HA 0.247 nan 4.420 nan 0.000 0.267 629 P C 0.911 177.913 177.300 -0.495 0.000 1.205 629 P CA 1.341 64.234 63.100 -0.345 0.000 0.765 629 P CB 0.611 32.065 31.700 -0.410 0.000 0.828 630 G N 2.622 111.353 108.800 -0.116 0.000 2.176 630 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 630 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 630 G C 0.118 175.088 174.900 0.118 0.000 0.979 630 G CA -0.422 44.717 45.100 0.066 0.000 0.641 630 G HN 0.555 nan 8.290 nan 0.000 0.530 631 F N 1.407 121.348 119.950 -0.015 0.000 2.602 631 F HA 0.425 4.952 4.527 -0.000 0.000 0.385 631 F C 1.286 177.104 175.800 0.031 0.000 1.063 631 F CA 0.837 58.851 58.000 0.024 0.000 1.233 631 F CB 0.971 39.974 39.000 0.005 0.000 1.067 631 F HN -0.071 nan 8.300 nan 0.000 0.564 632 V N 4.890 124.376 119.914 -0.713 0.000 2.599 632 V HA 0.077 4.197 4.120 -0.000 0.000 0.237 632 V C 0.498 176.115 176.094 -0.795 0.000 1.081 632 V CA 1.169 63.152 62.300 -0.529 0.000 1.107 632 V CB 0.372 31.998 31.823 -0.328 0.000 0.808 632 V HN 1.042 nan 8.190 nan 0.000 0.486 633 C N -2.014 116.650 119.300 -1.060 0.000 3.275 633 C HA 0.674 5.134 4.460 -0.000 0.000 0.340 633 C C -1.411 173.437 174.990 -0.236 0.000 1.366 633 C CA -1.327 57.335 59.018 -0.594 0.000 1.227 633 C CB 0.922 28.547 27.740 -0.191 0.000 1.512 633 C HN 0.310 nan 8.230 nan 0.000 0.461 634 F N 1.821 121.799 119.950 0.046 0.000 2.449 634 F HA 0.815 5.342 4.527 -0.000 0.000 0.342 634 F C -0.848 174.956 175.800 0.006 0.000 1.127 634 F CA -1.236 56.825 58.000 0.102 0.000 0.975 634 F CB 0.846 39.969 39.000 0.206 0.000 1.146 634 F HN 0.718 nan 8.300 nan 0.000 0.444 635 L N 5.784 126.557 121.223 -0.749 0.000 2.322 635 L HA 0.689 5.029 4.340 -0.000 0.000 0.279 635 L C -0.168 175.973 176.870 -1.216 0.000 1.036 635 L CA -0.515 53.940 54.840 -0.643 0.000 0.807 635 L CB 1.731 43.673 42.059 -0.195 0.000 1.226 635 L HN 0.812 nan 8.230 nan 0.000 0.433 636 S N 0.786 116.051 115.700 -0.725 0.000 2.671 636 S HA 0.592 5.062 4.470 -0.000 0.000 0.277 636 S C 0.597 175.140 174.600 -0.095 0.000 1.165 636 S CA -0.194 57.607 58.200 -0.665 0.000 0.822 636 S CB 1.477 64.472 63.200 -0.342 0.000 1.150 636 S HN 0.648 nan 8.310 nan 0.000 0.479 637 A N 1.033 123.888 122.820 0.058 0.000 1.940 637 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 637 A C 1.652 179.305 177.584 0.116 0.000 1.190 637 A CA 2.514 54.672 52.037 0.200 0.000 0.647 637 A CB -1.513 17.567 19.000 0.134 0.000 0.821 637 A HN 0.866 nan 8.150 nan 0.000 0.457 638 D N 0.197 120.634 120.400 0.061 0.000 2.158 638 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 638 D C 1.324 177.660 176.300 0.060 0.000 0.995 638 D CA 1.499 55.530 54.000 0.051 0.000 0.846 638 D CB -0.377 40.449 40.800 0.042 0.000 0.941 638 D HN 0.551 nan 8.370 nan 0.000 0.456 639 D N 0.034 120.478 120.400 0.073 0.000 2.269 639 D HA -0.035 4.605 4.640 -0.000 0.000 0.208 639 D C 0.857 177.209 176.300 0.087 0.000 0.963 639 D CA 0.086 54.142 54.000 0.094 0.000 0.864 639 D CB 0.466 41.327 40.800 0.102 0.000 0.936 639 D HN 0.294 nan 8.370 nan 0.000 0.505 640 I N 3.709 124.315 120.570 0.060 0.000 2.662 640 I HA -0.068 4.102 4.170 -0.000 0.000 0.285 640 I C -0.777 175.296 176.117 -0.073 0.000 1.161 640 I CA -0.849 60.432 61.300 -0.031 0.000 1.415 640 I CB 0.849 38.828 38.000 -0.035 0.000 1.385 640 I HN -0.116 nan 8.210 nan 0.000 0.552 641 P HA -0.010 nan 4.420 nan 0.000 0.221 641 P C 0.970 178.187 177.300 -0.139 0.000 1.155 641 P CA 0.748 63.742 63.100 -0.176 0.000 0.812 641 P CB 0.415 31.882 31.700 -0.388 0.000 0.801 642 G N 0.672 109.373 108.800 -0.165 0.000 3.287 642 G HA2 0.248 4.208 3.960 -0.000 0.000 0.172 642 G HA3 0.248 4.208 3.960 -0.000 0.000 0.172 642 G C -0.133 174.715 174.900 -0.086 0.000 1.922 642 G CA 0.490 45.520 45.100 -0.118 0.000 0.952 642 G HN 0.445 nan 8.290 nan 0.000 0.520 643 S N -1.144 114.503 115.700 -0.089 0.000 2.536 643 S HA 0.362 4.832 4.470 -0.000 0.000 0.298 643 S C 0.307 174.858 174.600 -0.081 0.000 1.083 643 S CA -0.629 57.528 58.200 -0.072 0.000 0.995 643 S CB 2.066 65.223 63.200 -0.071 0.000 1.058 643 S HN 0.329 nan 8.310 nan 0.000 0.488 644 N N 1.105 119.772 118.700 -0.054 0.000 2.461 644 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 644 N C 0.062 175.536 175.510 -0.060 0.000 1.134 644 N CA 0.123 53.144 53.050 -0.048 0.000 0.878 644 N CB -0.091 38.399 38.487 0.005 0.000 0.972 644 N HN 0.882 nan 8.380 nan 0.000 0.456 645 E N 0.580 120.735 120.200 -0.075 0.000 2.070 645 E HA 0.083 4.433 4.350 -0.000 0.000 0.282 645 E C -0.540 175.955 176.600 -0.175 0.000 1.104 645 E CA 0.011 56.357 56.400 -0.091 0.000 0.876 645 E CB 0.515 30.173 29.700 -0.071 0.000 1.055 645 E HN 0.041 nan 8.360 nan 0.000 0.401 646 T N 2.269 116.704 114.554 -0.199 0.000 2.633 646 T HA 0.759 5.109 4.350 -0.000 0.000 0.262 646 T C -0.283 174.210 174.700 -0.346 0.000 0.920 646 T CA 0.444 62.316 62.100 -0.381 0.000 1.062 646 T CB 1.101 69.780 68.868 -0.315 0.000 1.390 646 T HN 0.840 nan 8.240 nan 0.000 0.549 647 G N 0.411 108.942 108.800 -0.449 0.000 2.705 647 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.686 647 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.686 647 G C 0.227 175.077 174.900 -0.084 0.000 1.285 647 G CA -0.191 44.858 45.100 -0.085 0.000 0.800 647 G HN 0.887 nan 8.290 nan 0.000 0.611 648 L N 0.246 121.579 121.223 0.184 0.000 2.189 648 L HA 0.139 4.479 4.340 -0.000 0.000 0.214 648 L C 1.937 178.528 176.870 -0.464 0.000 1.097 648 L CA 2.255 57.098 54.840 0.005 0.000 0.764 648 L CB -0.407 41.647 42.059 -0.007 0.000 0.900 648 L HN 0.554 nan 8.230 nan 0.000 0.436 649 F N -1.583 118.380 119.950 0.022 0.000 2.775 649 F HA 0.244 4.771 4.527 -0.000 0.000 0.313 649 F C 0.863 176.634 175.800 -0.049 0.000 1.121 649 F CA -0.597 57.395 58.000 -0.014 0.000 1.206 649 F CB -0.463 38.518 39.000 -0.032 0.000 1.052 649 F HN -0.015 nan 8.300 nan 0.000 0.524 650 N N 1.157 119.852 118.700 -0.008 0.000 2.721 650 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 650 N C -0.339 175.179 175.510 0.012 0.000 1.072 650 N CA 0.989 54.014 53.050 -0.043 0.000 0.710 650 N CB -0.776 37.687 38.487 -0.041 0.000 0.993 650 N HN 0.475 nan 8.380 nan 0.000 0.547 651 D N -1.092 119.331 120.400 0.038 0.000 2.479 651 D HA 0.118 4.758 4.640 -0.000 0.000 0.218 651 D C 0.054 176.370 176.300 0.027 0.000 1.177 651 D CA 0.098 54.122 54.000 0.040 0.000 0.830 651 D CB 0.258 41.079 40.800 0.036 0.000 1.014 651 D HN 0.437 nan 8.370 nan 0.000 0.503 652 E N -0.254 119.952 120.200 0.010 0.000 2.339 652 E HA 0.551 4.901 4.350 -0.000 0.000 0.262 652 E C -0.448 176.167 176.600 0.024 0.000 0.934 652 E CA -0.987 55.423 56.400 0.018 0.000 0.802 652 E CB 1.797 31.504 29.700 0.013 0.000 1.275 652 E HN 0.144 nan 8.360 nan 0.000 0.427 653 T N -2.680 111.922 114.554 0.081 0.000 2.932 653 T HA 0.336 4.686 4.350 -0.000 0.000 0.289 653 T C 0.702 175.433 174.700 0.053 0.000 1.039 653 T CA -0.780 61.371 62.100 0.085 0.000 1.024 653 T CB 1.365 70.337 68.868 0.173 0.000 1.090 653 T HN 0.146 nan 8.240 nan 0.000 0.496 654 V N 0.257 120.152 119.914 -0.032 0.000 2.446 654 V HA 0.280 4.400 4.120 -0.000 0.000 0.244 654 V C 0.226 176.201 176.094 -0.199 0.000 1.039 654 V CA 0.857 63.045 62.300 -0.186 0.000 1.045 654 V CB -0.566 31.067 31.823 -0.316 0.000 0.681 654 V HN 0.842 nan 8.190 nan 0.000 0.459 655 F N -0.805 119.158 119.950 0.021 0.000 2.547 655 F HA 0.685 5.212 4.527 -0.000 0.000 0.316 655 F C 0.280 176.073 175.800 -0.011 0.000 1.121 655 F CA -1.071 56.927 58.000 -0.003 0.000 0.911 655 F CB 1.385 40.361 39.000 -0.039 0.000 1.179 655 F HN 0.007 nan 8.300 nan 0.000 0.443 656 A N 4.006 126.908 122.820 0.137 0.000 2.540 656 A HA 0.283 4.603 4.320 -0.000 0.000 0.239 656 A C -0.434 177.162 177.584 0.021 0.000 1.061 656 A CA 0.122 52.130 52.037 -0.048 0.000 0.758 656 A CB 0.360 19.115 19.000 -0.408 0.000 0.991 656 A HN 0.750 nan 8.150 nan 0.000 0.502 657 K N 2.145 122.573 120.400 0.048 0.000 2.471 657 K HA 0.429 4.749 4.320 -0.000 0.000 0.252 657 K C -0.475 176.159 176.600 0.057 0.000 0.938 657 K CA -0.367 55.951 56.287 0.051 0.000 0.796 657 K CB 0.886 33.423 32.500 0.062 0.000 1.161 657 K HN 0.807 nan 8.250 nan 0.000 0.425 658 D N 0.207 120.634 120.400 0.046 0.000 3.671 658 D HA -0.206 4.434 4.640 -0.000 0.000 0.204 658 D C -0.157 176.190 176.300 0.080 0.000 1.267 658 D CA 2.474 56.508 54.000 0.056 0.000 2.305 658 D CB -0.921 39.918 40.800 0.065 0.000 1.237 658 D HN 0.736 nan 8.370 nan 0.000 0.443 659 T N -1.197 113.422 114.554 0.109 0.000 2.900 659 T HA 0.633 4.983 4.350 -0.000 0.000 0.295 659 T C 0.036 174.845 174.700 0.182 0.000 1.044 659 T CA -0.508 61.692 62.100 0.167 0.000 0.995 659 T CB 2.846 71.841 68.868 0.211 0.000 1.072 659 T HN 0.376 nan 8.240 nan 0.000 0.473 660 V N -0.198 119.863 119.914 0.244 0.000 2.612 660 V HA 0.842 4.962 4.120 -0.000 0.000 0.301 660 V C 0.661 176.974 176.094 0.365 0.000 1.046 660 V CA -0.217 62.259 62.300 0.293 0.000 0.946 660 V CB 1.204 33.197 31.823 0.284 0.000 1.003 660 V HN 1.232 nan 8.190 nan 0.000 0.459 661 T N -1.036 113.804 114.554 0.477 0.000 3.252 661 T HA 0.488 4.838 4.350 -0.000 0.000 0.286 661 T C 0.002 174.698 174.700 -0.007 0.000 1.013 661 T CA 0.247 62.370 62.100 0.037 0.000 0.914 661 T CB -0.801 67.999 68.868 -0.112 0.000 1.131 661 T HN 2.015 nan 8.240 nan 0.000 0.529 662 C N -1.081 118.283 119.300 0.107 0.000 2.969 662 C HA 0.600 5.060 4.460 -0.000 0.000 0.338 662 C C -0.691 174.374 174.990 0.126 0.000 1.217 662 C CA -1.206 57.855 59.018 0.072 0.000 1.146 662 C CB 0.489 28.239 27.740 0.017 0.000 1.366 662 C HN 0.210 nan 8.230 nan 0.000 0.488 663 V N 3.046 123.017 119.914 0.096 0.000 2.572 663 V HA 0.560 4.680 4.120 -0.000 0.000 0.291 663 V C 1.630 177.803 176.094 0.131 0.000 1.039 663 V CA 2.214 64.573 62.300 0.097 0.000 1.055 663 V CB 0.628 32.494 31.823 0.072 0.000 0.969 663 V HN 2.534 nan 8.190 nan 0.000 0.482 664 G N 3.043 111.936 108.800 0.154 0.000 2.176 664 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.232 664 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.232 664 G C 0.258 175.292 174.900 0.223 0.000 0.986 664 G CA 0.250 45.450 45.100 0.166 0.000 0.643 664 G HN 0.976 nan 8.290 nan 0.000 0.522 665 H N 0.614 119.755 119.070 0.117 0.000 3.004 665 H HA 0.353 4.909 4.556 -0.000 0.000 0.316 665 H C 0.511 175.932 175.328 0.155 0.000 1.014 665 H CA -0.720 55.404 56.048 0.126 0.000 1.454 665 H CB 0.204 30.038 29.762 0.120 0.000 1.472 665 H HN 0.152 nan 8.280 nan 0.000 0.571 666 I N 7.250 128.046 120.570 0.377 0.000 2.505 666 I HA -0.100 4.070 4.170 -0.000 0.000 0.287 666 I C 0.927 177.144 176.117 0.167 0.000 1.104 666 I CA 0.606 62.067 61.300 0.268 0.000 1.387 666 I CB 0.264 38.467 38.000 0.337 0.000 1.404 666 I HN 0.641 nan 8.210 nan 0.000 0.528 667 I N 3.814 124.429 120.570 0.074 0.000 2.927 667 I HA 0.347 4.517 4.170 -0.000 0.000 0.268 667 I C 1.326 177.277 176.117 -0.277 0.000 1.153 667 I CA 0.423 61.701 61.300 -0.037 0.000 1.459 667 I CB -0.047 37.954 38.000 0.003 0.000 1.149 667 I HN 0.782 nan 8.210 nan 0.000 0.443 668 G N 0.203 108.756 108.800 -0.412 0.000 2.494 668 G HA2 0.744 4.704 3.960 -0.000 0.000 0.308 668 G HA3 0.744 4.704 3.960 -0.000 0.000 0.308 668 G C -2.060 172.501 174.900 -0.564 0.000 1.263 668 G CA 0.138 44.535 45.100 -1.171 0.000 0.840 668 G HN 0.238 nan 8.290 nan 0.000 0.479 669 A N -1.556 120.922 122.820 -0.571 0.000 2.605 669 A HA 0.751 5.071 4.320 -0.000 0.000 0.294 669 A C -1.537 176.054 177.584 0.011 0.000 1.062 669 A CA -0.382 51.614 52.037 -0.069 0.000 0.682 669 A CB 1.545 20.608 19.000 0.105 0.000 1.278 669 A HN 1.560 nan 8.150 nan 0.000 0.410 670 V N 1.036 121.061 119.914 0.184 0.000 2.547 670 V HA 0.613 4.733 4.120 -0.000 0.000 0.299 670 V C -0.365 175.790 176.094 0.102 0.000 1.040 670 V CA -0.477 61.957 62.300 0.225 0.000 0.913 670 V CB 1.682 33.715 31.823 0.350 0.000 0.992 670 V HN 0.739 nan 8.190 nan 0.000 0.449 671 V N 3.613 123.512 119.914 -0.025 0.000 2.495 671 V HA 0.947 5.067 4.120 -0.000 0.000 0.298 671 V C 0.190 176.230 176.094 -0.090 0.000 1.031 671 V CA -0.163 62.114 62.300 -0.040 0.000 0.871 671 V CB 1.401 33.163 31.823 -0.101 0.000 0.988 671 V HN 1.097 nan 8.190 nan 0.000 0.432 672 A N 2.796 125.646 122.820 0.050 0.000 2.567 672 A HA 0.693 5.013 4.320 -0.000 0.000 0.289 672 A C 0.395 178.086 177.584 0.177 0.000 1.177 672 A CA -0.035 52.053 52.037 0.086 0.000 0.694 672 A CB 1.375 20.484 19.000 0.182 0.000 1.292 672 A HN 0.756 nan 8.150 nan 0.000 0.425 673 D N -0.362 120.156 120.400 0.197 0.000 2.348 673 D HA 0.049 4.689 4.640 -0.000 0.000 0.216 673 D C 0.686 177.117 176.300 0.218 0.000 0.970 673 D CA 1.659 55.792 54.000 0.222 0.000 0.889 673 D CB -0.229 40.685 40.800 0.190 0.000 0.912 673 D HN 0.788 nan 8.370 nan 0.000 0.524 674 T N -5.434 109.152 114.554 0.054 0.000 2.841 674 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 674 T C -2.524 171.862 174.700 -0.524 0.000 1.166 674 T CA -1.587 60.272 62.100 -0.403 0.000 1.007 674 T CB 2.225 70.801 68.868 -0.487 0.000 1.253 674 T HN -0.403 nan 8.240 nan 0.000 0.511 675 P HA 0.022 nan 4.420 nan 0.000 0.215 675 P C 1.192 178.373 177.300 -0.198 0.000 1.157 675 P CA 1.067 63.889 63.100 -0.464 0.000 0.863 675 P CB 0.057 31.477 31.700 -0.466 0.000 0.787 676 E N -1.195 118.858 120.200 -0.244 0.000 2.070 676 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 676 E C 2.003 178.610 176.600 0.012 0.000 1.004 676 E CA 1.515 57.834 56.400 -0.136 0.000 0.805 676 E CB -1.148 28.436 29.700 -0.193 0.000 0.744 676 E HN 0.526 nan 8.360 nan 0.000 0.451 677 H N -0.735 118.320 119.070 -0.024 0.000 2.357 677 H HA 0.007 4.563 4.556 -0.000 0.000 0.301 677 H C 2.005 177.384 175.328 0.085 0.000 1.082 677 H CA 0.610 56.680 56.048 0.036 0.000 1.342 677 H CB 0.018 29.809 29.762 0.048 0.000 1.389 677 H HN 0.233 nan 8.280 nan 0.000 0.511 678 A N 1.008 123.952 122.820 0.207 0.000 1.902 678 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 678 A C 2.178 179.865 177.584 0.172 0.000 1.181 678 A CA 1.753 53.908 52.037 0.196 0.000 0.623 678 A CB -0.421 18.688 19.000 0.180 0.000 0.818 678 A HN 0.533 nan 8.150 nan 0.000 0.443 679 E N -0.186 120.085 120.200 0.119 0.000 2.017 679 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 679 E C 2.284 178.954 176.600 0.117 0.000 0.997 679 E CA 1.319 57.776 56.400 0.095 0.000 0.804 679 E CB -0.143 29.574 29.700 0.028 0.000 0.757 679 E HN 0.593 nan 8.360 nan 0.000 0.448 680 R N 0.144 120.707 120.500 0.105 0.000 2.083 680 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 680 R C 2.509 178.894 176.300 0.143 0.000 1.137 680 R CA 1.277 57.442 56.100 0.109 0.000 0.951 680 R CB -0.485 29.872 30.300 0.095 0.000 0.851 680 R HN 0.223 nan 8.270 nan 0.000 0.434 681 A N 1.366 124.278 122.820 0.154 0.000 1.908 681 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 681 A C 2.393 180.061 177.584 0.139 0.000 1.181 681 A CA 1.779 53.902 52.037 0.145 0.000 0.627 681 A CB -0.685 18.486 19.000 0.285 0.000 0.818 681 A HN 0.426 nan 8.150 nan 0.000 0.445 682 A N -1.553 121.377 122.820 0.185 0.000 1.972 682 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 682 A C 2.055 179.717 177.584 0.130 0.000 1.169 682 A CA 1.597 53.738 52.037 0.173 0.000 0.635 682 A CB -0.884 18.231 19.000 0.192 0.000 0.810 682 A HN 0.766 nan 8.150 nan 0.000 0.446 683 H N 0.111 119.212 119.070 0.051 0.000 2.524 683 H HA 0.016 4.572 4.556 -0.000 0.000 0.282 683 H C 1.207 176.538 175.328 0.006 0.000 1.016 683 H CA 1.744 57.812 56.048 0.033 0.000 1.270 683 H CB 0.266 30.045 29.762 0.028 0.000 1.394 683 H HN 0.400 nan 8.280 nan 0.000 0.568 684 V N -0.696 119.178 119.914 -0.066 0.000 3.214 684 V HA 0.277 4.397 4.120 -0.000 0.000 0.330 684 V C 0.369 176.366 176.094 -0.162 0.000 1.403 684 V CA -0.408 61.812 62.300 -0.134 0.000 1.143 684 V CB 0.042 31.827 31.823 -0.063 0.000 1.098 684 V HN -0.043 nan 8.190 nan 0.000 0.463 685 V N 2.238 122.053 119.914 -0.165 0.000 2.427 685 V HA 0.237 4.357 4.120 -0.000 0.000 0.268 685 V C 0.574 176.541 176.094 -0.212 0.000 1.046 685 V CA -0.119 62.036 62.300 -0.243 0.000 0.970 685 V CB 0.934 32.579 31.823 -0.297 0.000 1.001 685 V HN 0.545 nan 8.190 nan 0.000 0.476 686 K N 4.913 125.185 120.400 -0.214 0.000 2.284 686 K HA 0.424 4.744 4.320 -0.000 0.000 0.287 686 K C -0.919 175.565 176.600 -0.193 0.000 1.081 686 K CA -0.341 55.845 56.287 -0.169 0.000 0.910 686 K CB 0.922 33.338 32.500 -0.139 0.000 1.088 686 K HN 0.534 nan 8.250 nan 0.000 0.478 687 V N 3.785 123.583 119.914 -0.193 0.000 2.427 687 V HA 0.242 4.362 4.120 -0.000 0.000 0.286 687 V C 0.129 176.005 176.094 -0.363 0.000 1.034 687 V CA -0.855 61.240 62.300 -0.342 0.000 0.893 687 V CB 1.394 32.926 31.823 -0.485 0.000 0.982 687 V HN 0.881 nan 8.190 nan 0.000 0.452 688 T N 2.027 116.372 114.554 -0.348 0.000 2.772 688 T HA 0.718 5.068 4.350 -0.000 0.000 0.288 688 T C -0.844 173.730 174.700 -0.210 0.000 0.994 688 T CA -0.481 61.512 62.100 -0.178 0.000 0.951 688 T CB 0.503 69.316 68.868 -0.091 0.000 0.933 688 T HN 0.358 nan 8.240 nan 0.000 0.447 689 Y N 0.944 121.245 120.300 0.001 0.000 2.568 689 Y HA 0.652 5.202 4.550 -0.000 0.000 0.327 689 Y C 0.763 176.667 175.900 0.006 0.000 1.163 689 Y CA -1.545 56.562 58.100 0.011 0.000 1.219 689 Y CB 1.339 39.812 38.460 0.022 0.000 1.308 689 Y HN 0.706 nan 8.280 nan 0.000 0.503 690 E N 1.526 121.845 120.200 0.198 0.000 2.580 690 E HA 0.152 4.501 4.350 -0.000 0.000 0.248 690 E C -1.464 175.179 176.600 0.071 0.000 1.018 690 E CA -0.570 55.887 56.400 0.096 0.000 0.775 690 E CB 0.451 30.187 29.700 0.060 0.000 1.378 690 E HN 0.650 nan 8.360 nan 0.000 0.401 691 D N 2.976 123.402 120.400 0.042 0.000 2.515 691 D HA 0.014 4.654 4.640 -0.000 0.000 0.232 691 D C 0.038 176.289 176.300 -0.081 0.000 1.157 691 D CA 0.928 54.919 54.000 -0.016 0.000 0.871 691 D CB 0.908 41.692 40.800 -0.028 0.000 1.200 691 D HN 0.420 nan 8.370 nan 0.000 0.466 692 L N 1.950 123.056 121.223 -0.195 0.000 2.354 692 L HA 0.316 4.656 4.340 -0.000 0.000 0.264 692 L C -2.330 174.328 176.870 -0.353 0.000 1.008 692 L CA -2.116 52.500 54.840 -0.373 0.000 0.819 692 L CB 2.059 43.644 42.059 -0.790 0.000 1.339 692 L HN 0.059 nan 8.230 nan 0.000 0.420 693 P HA 0.025 nan 4.420 nan 0.000 0.257 693 P C -0.904 176.391 177.300 -0.008 0.000 1.189 693 P CA 0.195 63.237 63.100 -0.097 0.000 0.780 693 P CB 0.422 32.087 31.700 -0.058 0.000 0.772 694 A N 4.548 127.392 122.820 0.040 0.000 2.303 694 A HA 0.587 4.907 4.320 -0.000 0.000 0.317 694 A C -0.110 177.506 177.584 0.054 0.000 1.149 694 A CA -0.627 51.484 52.037 0.124 0.000 0.822 694 A CB 0.441 19.497 19.000 0.093 0.000 1.131 694 A HN 0.497 nan 8.150 nan 0.000 0.493 695 I N 3.891 124.484 120.570 0.037 0.000 2.405 695 I HA 0.168 4.338 4.170 -0.000 0.000 0.280 695 I C 0.032 176.117 176.117 -0.053 0.000 1.027 695 I CA -0.349 60.934 61.300 -0.029 0.000 1.161 695 I CB 1.079 39.041 38.000 -0.064 0.000 1.300 695 I HN 0.590 nan 8.210 nan 0.000 0.463 696 I N 2.782 123.319 120.570 -0.054 0.000 2.556 696 I HA -0.000 4.170 4.170 -0.000 0.000 0.251 696 I C 1.608 177.664 176.117 -0.102 0.000 1.105 696 I CA 1.135 62.390 61.300 -0.075 0.000 1.436 696 I CB -0.689 37.276 38.000 -0.059 0.000 1.139 696 I HN 0.495 nan 8.210 nan 0.000 0.438 697 T N -1.226 113.274 114.554 -0.090 0.000 2.912 697 T HA 0.473 4.823 4.350 -0.000 0.000 0.280 697 T C 1.459 176.104 174.700 -0.091 0.000 0.989 697 T CA -0.528 61.520 62.100 -0.086 0.000 0.995 697 T CB 1.837 70.660 68.868 -0.075 0.000 1.077 697 T HN 0.057 nan 8.240 nan 0.000 0.531 698 I N 0.438 120.974 120.570 -0.058 0.000 2.264 698 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 698 I C 2.561 178.598 176.117 -0.133 0.000 1.111 698 I CA 1.408 62.668 61.300 -0.068 0.000 1.382 698 I CB -0.498 37.512 38.000 0.017 0.000 1.060 698 I HN 0.700 nan 8.210 nan 0.000 0.418 699 E N 1.350 121.482 120.200 -0.114 0.000 2.013 699 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 699 E C 1.805 178.329 176.600 -0.128 0.000 1.018 699 E CA 1.671 57.997 56.400 -0.123 0.000 0.834 699 E CB -0.444 29.201 29.700 -0.091 0.000 0.770 699 E HN 0.410 nan 8.360 nan 0.000 0.459 700 D N 0.193 120.527 120.400 -0.110 0.000 2.190 700 D HA -0.216 4.424 4.640 -0.000 0.000 0.200 700 D C 1.757 177.962 176.300 -0.159 0.000 0.992 700 D CA 1.421 55.357 54.000 -0.107 0.000 0.854 700 D CB -0.274 40.474 40.800 -0.086 0.000 0.936 700 D HN 0.229 nan 8.370 nan 0.000 0.462 701 A N 1.123 123.814 122.820 -0.214 0.000 1.877 701 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 701 A C 2.406 179.704 177.584 -0.477 0.000 1.186 701 A CA 1.001 52.821 52.037 -0.363 0.000 0.620 701 A CB -0.689 18.089 19.000 -0.371 0.000 0.822 701 A HN 0.174 nan 8.150 nan 0.000 0.443 702 I N -0.750 119.628 120.570 -0.320 0.000 2.202 702 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 702 I C 2.534 178.623 176.117 -0.047 0.000 1.091 702 I CA 1.738 62.952 61.300 -0.144 0.000 1.368 702 I CB -0.359 37.563 38.000 -0.130 0.000 1.058 702 I HN 0.382 nan 8.210 nan 0.000 0.410 703 K N 1.507 121.860 120.400 -0.078 0.000 2.000 703 K HA -0.243 4.077 4.320 -0.000 0.000 0.218 703 K C 1.478 178.064 176.600 -0.024 0.000 1.053 703 K CA 2.485 58.748 56.287 -0.040 0.000 0.946 703 K CB -0.163 32.306 32.500 -0.053 0.000 0.723 703 K HN 0.251 nan 8.250 nan 0.000 0.446 704 N N 1.131 119.795 118.700 -0.059 0.000 2.521 704 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 704 N C -0.470 175.027 175.510 -0.022 0.000 1.146 704 N CA 0.388 53.413 53.050 -0.041 0.000 0.893 704 N CB -0.016 38.435 38.487 -0.060 0.000 0.975 704 N HN 0.327 nan 8.380 nan 0.000 0.451 705 N N 0.104 118.803 118.700 -0.002 0.000 2.740 705 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 705 N C -1.118 174.412 175.510 0.034 0.000 1.062 705 N CA 0.241 53.415 53.050 0.206 0.000 0.704 705 N CB -1.045 37.592 38.487 0.250 0.000 0.968 705 N HN 0.110 nan 8.380 nan 0.000 0.547 706 S N 1.250 116.701 115.700 -0.415 0.000 2.464 706 S HA 0.578 5.048 4.470 -0.000 0.000 0.313 706 S C -0.562 173.638 174.600 -0.667 0.000 1.078 706 S CA -0.469 57.499 58.200 -0.386 0.000 1.096 706 S CB -0.030 62.976 63.200 -0.324 0.000 1.032 706 S HN 0.323 nan 8.310 nan 0.000 0.498 707 F N 2.434 122.277 119.950 -0.177 0.000 2.740 707 F HA 0.558 5.085 4.527 -0.000 0.000 0.357 707 F C -0.666 174.976 175.800 -0.264 0.000 1.141 707 F CA -1.176 56.709 58.000 -0.191 0.000 1.044 707 F CB 1.077 40.048 39.000 -0.048 0.000 1.430 707 F HN 0.292 nan 8.300 nan 0.000 0.518 708 Y N 0.316 120.752 120.300 0.226 0.000 2.332 708 Y HA 0.510 5.060 4.550 -0.000 0.000 0.326 708 Y C 0.529 176.467 175.900 0.064 0.000 0.978 708 Y CA -0.585 57.569 58.100 0.090 0.000 1.205 708 Y CB 1.431 39.917 38.460 0.044 0.000 1.131 708 Y HN 0.881 nan 8.280 nan 0.000 0.462 709 G N 1.899 110.796 108.800 0.162 0.000 2.804 709 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.230 709 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.230 709 G C -0.447 174.468 174.900 0.024 0.000 1.386 709 G CA -0.376 44.756 45.100 0.052 0.000 0.875 709 G HN 0.931 nan 8.290 nan 0.000 0.557 710 S N -0.898 114.791 115.700 -0.017 0.000 2.651 710 S HA 0.661 5.131 4.470 -0.000 0.000 0.291 710 S C 0.249 174.800 174.600 -0.081 0.000 1.141 710 S CA 0.345 58.502 58.200 -0.071 0.000 1.027 710 S CB 2.013 65.175 63.200 -0.063 0.000 1.043 710 S HN 1.169 nan 8.310 nan 0.000 0.530 711 E N -0.081 120.031 120.200 -0.146 0.000 2.641 711 E HA -0.028 4.322 4.350 -0.000 0.000 0.272 711 E C -1.101 175.423 176.600 -0.127 0.000 0.990 711 E CA 0.090 56.397 56.400 -0.154 0.000 0.971 711 E CB 0.193 29.798 29.700 -0.158 0.000 0.967 711 E HN 0.489 nan 8.360 nan 0.000 0.464 712 L N 3.717 124.840 121.223 -0.166 0.000 2.334 712 L HA 0.568 4.908 4.340 -0.000 0.000 0.270 712 L C -0.231 176.564 176.870 -0.126 0.000 1.018 712 L CA -0.011 54.690 54.840 -0.232 0.000 0.811 712 L CB 1.596 43.421 42.059 -0.390 0.000 1.271 712 L HN 0.587 nan 8.230 nan 0.000 0.443 713 K N 1.300 121.667 120.400 -0.055 0.000 2.610 713 K HA 0.659 4.979 4.320 -0.000 0.000 0.278 713 K C -2.104 174.640 176.600 0.241 0.000 0.964 713 K CA -0.460 55.876 56.287 0.082 0.000 0.859 713 K CB 1.470 34.005 32.500 0.059 0.000 1.434 713 K HN 0.513 nan 8.250 nan 0.000 0.410 714 I N 2.574 123.286 120.570 0.237 0.000 2.534 714 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 714 I C -1.229 175.024 176.117 0.227 0.000 1.094 714 I CA -0.539 60.933 61.300 0.287 0.000 1.055 714 I CB 2.135 40.346 38.000 0.352 0.000 1.225 714 I HN 0.635 nan 8.210 nan 0.000 0.435 715 E N 6.584 126.893 120.200 0.183 0.000 2.248 715 E HA 0.528 4.878 4.350 -0.000 0.000 0.267 715 E C -1.410 175.261 176.600 0.119 0.000 0.877 715 E CA -0.821 55.659 56.400 0.133 0.000 0.759 715 E CB 2.532 32.289 29.700 0.095 0.000 1.182 715 E HN 0.450 nan 8.360 nan 0.000 0.418 716 K N 3.003 123.461 120.400 0.096 0.000 2.513 716 K HA 0.576 4.896 4.320 -0.000 0.000 0.251 716 K C -0.352 176.264 176.600 0.027 0.000 0.939 716 K CA 0.164 56.494 56.287 0.073 0.000 0.793 716 K CB 1.564 34.127 32.500 0.104 0.000 1.241 716 K HN 0.770 nan 8.250 nan 0.000 0.431 717 G N 2.528 111.335 108.800 0.011 0.000 2.508 717 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 717 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 717 G C -1.398 173.489 174.900 -0.021 0.000 1.287 717 G CA -0.185 44.905 45.100 -0.016 0.000 0.916 717 G HN 0.627 nan 8.290 nan 0.000 0.574 718 D N 0.761 121.134 120.400 -0.045 0.000 2.469 718 D HA 0.508 5.148 4.640 -0.000 0.000 0.251 718 D C 1.762 178.016 176.300 -0.077 0.000 1.173 718 D CA -0.468 53.508 54.000 -0.040 0.000 0.882 718 D CB 1.024 41.805 40.800 -0.032 0.000 1.129 718 D HN 0.342 nan 8.370 nan 0.000 0.549 719 L N 2.666 123.855 121.223 -0.057 0.000 1.976 719 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 719 L C 2.555 179.420 176.870 -0.010 0.000 1.071 719 L CA 0.822 55.602 54.840 -0.099 0.000 0.746 719 L CB -0.361 41.728 42.059 0.051 0.000 0.890 719 L HN 0.359 nan 8.230 nan 0.000 0.432 720 K N 1.198 121.650 120.400 0.086 0.000 2.034 720 K HA -0.286 4.034 4.320 -0.000 0.000 0.214 720 K C 2.096 178.735 176.600 0.064 0.000 1.051 720 K CA 1.996 58.352 56.287 0.115 0.000 0.931 720 K CB -0.293 32.246 32.500 0.065 0.000 0.715 720 K HN 0.189 nan 8.250 nan 0.000 0.446 721 K N -0.532 119.872 120.400 0.007 0.000 2.147 721 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 721 K C 2.031 178.599 176.600 -0.053 0.000 1.049 721 K CA 1.612 57.889 56.287 -0.018 0.000 0.936 721 K CB -0.361 32.122 32.500 -0.028 0.000 0.722 721 K HN 0.293 nan 8.250 nan 0.000 0.446 722 G N 0.374 109.098 108.800 -0.126 0.000 2.414 722 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 722 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 722 G C 1.284 176.045 174.900 -0.231 0.000 1.188 722 G CA 0.544 45.502 45.100 -0.236 0.000 0.783 722 G HN 0.281 nan 8.290 nan 0.000 0.537 723 F N 1.283 121.202 119.950 -0.052 0.000 2.134 723 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 723 F C 3.143 178.903 175.800 -0.067 0.000 1.097 723 F CA 1.223 59.184 58.000 -0.065 0.000 1.264 723 F CB -0.236 38.727 39.000 -0.062 0.000 1.001 723 F HN 0.229 nan 8.300 nan 0.000 0.479 724 S N 0.164 115.939 115.700 0.125 0.000 2.440 724 S HA -0.233 4.237 4.470 -0.000 0.000 0.240 724 S C 1.480 176.085 174.600 0.008 0.000 1.014 724 S CA 1.890 60.120 58.200 0.050 0.000 0.980 724 S CB -0.417 62.803 63.200 0.033 0.000 0.775 724 S HN 0.567 nan 8.310 nan 0.000 0.499 725 E N 0.314 120.506 120.200 -0.013 0.000 2.476 725 E HA 0.387 4.737 4.350 -0.000 0.000 0.199 725 E C 0.393 176.967 176.600 -0.044 0.000 1.021 725 E CA 0.137 56.517 56.400 -0.032 0.000 0.907 725 E CB 0.472 30.145 29.700 -0.044 0.000 0.974 725 E HN 0.520 nan 8.360 nan 0.000 0.489 726 A N 1.601 124.397 122.820 -0.040 0.000 2.362 726 A HA 0.086 4.406 4.320 -0.000 0.000 0.276 726 A C 0.251 177.767 177.584 -0.114 0.000 1.153 726 A CA -0.506 51.488 52.037 -0.072 0.000 0.813 726 A CB 0.416 19.389 19.000 -0.045 0.000 1.081 726 A HN -0.087 nan 8.150 nan 0.000 0.507 727 D N 1.283 121.592 120.400 -0.152 0.000 2.088 727 D HA -0.091 4.549 4.640 -0.000 0.000 0.191 727 D C 0.275 176.421 176.300 -0.256 0.000 0.992 727 D CA 1.687 55.586 54.000 -0.168 0.000 0.831 727 D CB -0.021 40.690 40.800 -0.148 0.000 0.973 727 D HN 0.660 nan 8.370 nan 0.000 0.447 728 N N -0.337 118.062 118.700 -0.502 0.000 2.384 728 N HA 0.445 5.185 4.740 -0.000 0.000 0.301 728 N C -0.831 174.259 175.510 -0.701 0.000 1.133 728 N CA -0.487 52.187 53.050 -0.627 0.000 0.853 728 N CB 2.743 40.755 38.487 -0.792 0.000 1.241 728 N HN -0.176 nan 8.380 nan 0.000 0.502 729 V N 0.973 120.682 119.914 -0.341 0.000 2.686 729 V HA 0.457 4.577 4.120 -0.000 0.000 0.306 729 V C -0.524 175.575 176.094 0.007 0.000 1.065 729 V CA -0.731 61.503 62.300 -0.111 0.000 0.894 729 V CB 2.264 34.032 31.823 -0.091 0.000 1.004 729 V HN 0.363 nan 8.190 nan 0.000 0.424 730 V N 3.101 123.107 119.914 0.154 0.000 2.680 730 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 730 V C -0.108 175.970 176.094 -0.028 0.000 1.052 730 V CA -0.286 62.088 62.300 0.124 0.000 0.908 730 V CB 2.325 34.320 31.823 0.286 0.000 1.001 730 V HN 0.883 nan 8.190 nan 0.000 0.431 731 S N 1.333 116.941 115.700 -0.153 0.000 2.568 731 S HA 0.981 5.451 4.470 -0.000 0.000 0.293 731 S C 0.096 174.369 174.600 -0.545 0.000 1.089 731 S CA -0.057 57.923 58.200 -0.366 0.000 0.945 731 S CB 2.085 65.132 63.200 -0.254 0.000 1.077 731 S HN 1.286 nan 8.310 nan 0.000 0.485 732 G N 0.521 108.734 108.800 -0.979 0.000 2.489 732 G HA2 0.589 4.549 3.960 -0.000 0.000 0.305 732 G HA3 0.589 4.549 3.960 -0.000 0.000 0.305 732 G C -2.111 172.571 174.900 -0.365 0.000 1.311 732 G CA -0.558 44.109 45.100 -0.720 0.000 0.813 732 G HN 0.633 nan 8.290 nan 0.000 0.480 733 E N -0.953 119.349 120.200 0.170 0.000 2.304 733 E HA 0.582 4.932 4.350 -0.000 0.000 0.277 733 E C -2.063 174.776 176.600 0.399 0.000 0.898 733 E CA -0.673 55.903 56.400 0.294 0.000 0.764 733 E CB 2.384 32.174 29.700 0.150 0.000 1.216 733 E HN 0.459 nan 8.360 nan 0.000 0.419 734 L N 4.270 125.733 121.223 0.400 0.000 2.354 734 L HA 0.628 4.968 4.340 -0.000 0.000 0.264 734 L C -1.952 175.154 176.870 0.393 0.000 1.008 734 L CA -0.735 54.308 54.840 0.338 0.000 0.819 734 L CB 1.853 44.025 42.059 0.188 0.000 1.339 734 L HN 0.660 nan 8.230 nan 0.000 0.420 735 Y N 3.538 123.997 120.300 0.264 0.000 2.442 735 Y HA 0.760 5.310 4.550 -0.000 0.000 0.344 735 Y C -1.238 174.823 175.900 0.268 0.000 0.976 735 Y CA -0.910 57.342 58.100 0.253 0.000 1.040 735 Y CB 1.614 40.187 38.460 0.188 0.000 1.228 735 Y HN 0.466 nan 8.280 nan 0.000 0.451 736 I N 5.440 125.724 120.570 -0.476 0.000 2.447 736 I HA 0.506 4.676 4.170 -0.000 0.000 0.287 736 I C 0.535 176.301 176.117 -0.585 0.000 1.023 736 I CA -0.969 60.127 61.300 -0.341 0.000 1.083 736 I CB 1.851 39.760 38.000 -0.153 0.000 1.245 736 I HN 0.825 nan 8.210 nan 0.000 0.434 737 G N 3.531 112.167 108.800 -0.274 0.000 2.634 737 G HA2 0.457 4.417 3.960 -0.000 0.000 0.255 737 G HA3 0.457 4.417 3.960 -0.000 0.000 0.255 737 G C 0.491 175.336 174.900 -0.092 0.000 1.205 737 G CA -0.048 45.004 45.100 -0.079 0.000 0.884 737 G HN 0.759 nan 8.290 nan 0.000 0.549 738 G N -1.494 107.316 108.800 0.015 0.000 2.468 738 G HA2 0.485 4.445 3.960 -0.000 0.000 0.264 738 G HA3 0.485 4.445 3.960 -0.000 0.000 0.264 738 G C -0.165 174.709 174.900 -0.044 0.000 1.460 738 G CA -0.044 45.058 45.100 0.003 0.000 1.060 738 G HN 0.782 nan 8.290 nan 0.000 0.543 739 Q N -1.451 118.334 119.800 -0.025 0.000 2.541 739 Q HA 0.159 4.499 4.340 -0.000 0.000 0.259 739 Q C -2.332 173.719 176.000 0.085 0.000 0.974 739 Q CA -0.658 55.139 55.803 -0.010 0.000 0.955 739 Q CB 2.090 30.616 28.738 -0.353 0.000 1.517 739 Q HN 0.587 nan 8.270 nan 0.000 0.412 740 D N 1.427 121.858 120.400 0.052 0.000 2.198 740 D HA 0.146 4.786 4.640 -0.000 0.000 0.245 740 D C 0.413 176.731 176.300 0.031 0.000 1.079 740 D CA 0.052 53.968 54.000 -0.139 0.000 0.854 740 D CB 0.881 41.374 40.800 -0.510 0.000 1.148 740 D HN 0.713 nan 8.370 nan 0.000 0.456 741 H N 3.378 122.359 119.070 -0.149 0.000 2.319 741 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 741 H C 0.680 175.794 175.328 -0.357 0.000 1.097 741 H CA 1.045 56.750 56.048 -0.571 0.000 1.285 741 H CB -0.281 28.970 29.762 -0.852 0.000 1.368 741 H HN 0.518 nan 8.280 nan 0.000 0.495 742 F N 0.310 119.973 119.950 -0.478 0.000 3.027 742 F HA -0.263 4.264 4.527 -0.000 0.000 0.276 742 F C -0.842 174.875 175.800 -0.139 0.000 0.967 742 F CA -0.595 57.253 58.000 -0.254 0.000 0.929 742 F CB -1.714 37.289 39.000 0.004 0.000 0.873 742 F HN 0.128 nan 8.300 nan 0.000 0.787 743 Y N -0.106 120.246 120.300 0.088 0.000 2.397 743 Y HA 0.289 4.838 4.550 -0.000 0.000 0.335 743 Y C 1.064 176.876 175.900 -0.145 0.000 1.213 743 Y CA -1.516 56.672 58.100 0.145 0.000 1.391 743 Y CB 0.050 38.535 38.460 0.042 0.000 1.293 743 Y HN 0.069 nan 8.280 nan 0.000 0.557 744 L N 0.832 122.106 121.223 0.085 0.000 2.131 744 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 744 L C 1.006 177.589 176.870 -0.478 0.000 1.092 744 L CA 1.430 56.238 54.840 -0.053 0.000 0.759 744 L CB -0.749 41.448 42.059 0.231 0.000 0.903 744 L HN 0.869 nan 8.230 nan 0.000 0.435 745 E N 0.831 120.481 120.200 -0.917 0.000 2.115 745 E HA 0.168 4.518 4.350 -0.000 0.000 0.282 745 E C -0.093 176.166 176.600 -0.568 0.000 0.987 745 E CA -0.302 55.361 56.400 -1.227 0.000 0.797 745 E CB 1.036 29.813 29.700 -1.538 0.000 1.086 745 E HN 0.243 nan 8.360 nan 0.000 0.397 746 T N 1.570 115.930 114.554 -0.323 0.000 2.698 746 T HA 0.089 4.439 4.350 -0.000 0.000 0.295 746 T C 0.652 175.162 174.700 -0.317 0.000 1.007 746 T CA -0.531 61.461 62.100 -0.181 0.000 0.980 746 T CB 0.371 69.256 68.868 0.029 0.000 1.036 746 T HN 0.460 nan 8.240 nan 0.000 0.526 747 H N -1.004 117.916 119.070 -0.250 0.000 2.972 747 H HA 0.264 4.820 4.556 -0.000 0.000 0.343 747 H C -0.024 175.244 175.328 -0.100 0.000 1.054 747 H CA 0.265 56.191 56.048 -0.204 0.000 1.412 747 H CB 0.382 30.078 29.762 -0.111 0.000 1.385 747 H HN 0.686 nan 8.280 nan 0.000 0.600 748 C N 2.765 122.066 119.300 0.001 0.000 3.006 748 C HA 0.401 4.861 4.460 -0.000 0.000 0.359 748 C C -0.736 174.283 174.990 0.047 0.000 1.103 748 C CA -0.190 58.849 59.018 0.034 0.000 1.286 748 C CB 1.370 29.120 27.740 0.016 0.000 1.694 748 C HN 0.891 nan 8.230 nan 0.000 0.511 749 T N 5.417 120.012 114.554 0.068 0.000 2.993 749 T HA 0.576 4.926 4.350 -0.000 0.000 0.312 749 T C -1.246 173.506 174.700 0.086 0.000 1.115 749 T CA -0.228 61.916 62.100 0.074 0.000 1.027 749 T CB 1.171 70.073 68.868 0.057 0.000 1.116 749 T HN 0.561 nan 8.240 nan 0.000 0.464 750 I N 2.408 123.056 120.570 0.130 0.000 2.410 750 I HA 0.660 4.830 4.170 -0.000 0.000 0.286 750 I C -0.064 176.162 176.117 0.181 0.000 1.009 750 I CA -0.908 60.481 61.300 0.149 0.000 1.111 750 I CB 1.571 39.690 38.000 0.197 0.000 1.262 750 I HN 0.705 nan 8.210 nan 0.000 0.443 751 A N 7.938 130.827 122.820 0.115 0.000 2.304 751 A HA 0.801 5.121 4.320 -0.000 0.000 0.323 751 A C -0.652 176.991 177.584 0.099 0.000 1.195 751 A CA -0.447 51.647 52.037 0.095 0.000 0.826 751 A CB 0.767 19.802 19.000 0.058 0.000 1.184 751 A HN 0.534 nan 8.150 nan 0.000 0.496 752 I N 4.586 125.217 120.570 0.102 0.000 2.390 752 I HA 0.304 4.474 4.170 -0.000 0.000 0.283 752 I C -2.494 173.631 176.117 0.013 0.000 1.016 752 I CA -2.579 58.756 61.300 0.058 0.000 1.151 752 I CB 1.207 39.280 38.000 0.123 0.000 1.293 752 I HN 0.387 nan 8.210 nan 0.000 0.458 753 P HA 0.217 nan 4.420 nan 0.000 0.282 753 P C 0.181 177.457 177.300 -0.039 0.000 1.262 753 P CA -0.378 62.718 63.100 -0.007 0.000 0.773 753 P CB 1.741 33.438 31.700 -0.004 0.000 0.879 754 K N 2.735 123.121 120.400 -0.023 0.000 2.021 754 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 754 K C 1.613 178.188 176.600 -0.042 0.000 1.047 754 K CA 1.631 57.897 56.287 -0.035 0.000 0.943 754 K CB -0.888 31.602 32.500 -0.017 0.000 0.725 754 K HN 0.797 nan 8.250 nan 0.000 0.439 755 G N 0.830 109.613 108.800 -0.029 0.000 2.336 755 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.194 755 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.194 755 G C -0.493 174.396 174.900 -0.019 0.000 0.999 755 G CA -0.188 44.892 45.100 -0.034 0.000 0.669 755 G HN 0.344 nan 8.290 nan 0.000 0.482 756 E N 0.793 120.986 120.200 -0.011 0.000 2.222 756 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 756 E C -0.015 176.587 176.600 0.005 0.000 0.884 756 E CA -0.937 55.460 56.400 -0.004 0.000 0.764 756 E CB 1.415 31.111 29.700 -0.007 0.000 1.169 756 E HN 0.043 nan 8.360 nan 0.000 0.413 757 E N 1.044 121.249 120.200 0.009 0.000 2.604 757 E HA -0.292 4.058 4.350 -0.000 0.000 0.255 757 E C 0.735 177.348 176.600 0.021 0.000 1.164 757 E CA 1.273 57.680 56.400 0.012 0.000 0.737 757 E CB -1.636 28.067 29.700 0.006 0.000 1.317 757 E HN 1.137 nan 8.360 nan 0.000 0.417 758 G N 0.225 109.046 108.800 0.036 0.000 2.153 758 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.252 758 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.252 758 G C 0.088 175.011 174.900 0.039 0.000 0.994 758 G CA 0.671 45.805 45.100 0.056 0.000 0.698 758 G HN 0.404 nan 8.290 nan 0.000 0.521 759 E N -0.474 119.739 120.200 0.022 0.000 2.384 759 E HA 0.493 4.843 4.350 -0.000 0.000 0.266 759 E C 0.380 176.987 176.600 0.012 0.000 1.012 759 E CA 0.280 56.685 56.400 0.009 0.000 0.901 759 E CB 0.475 30.175 29.700 0.001 0.000 0.967 759 E HN 0.453 nan 8.360 nan 0.000 0.435 760 M N 2.901 122.503 119.600 0.002 0.000 2.371 760 M HA 0.237 4.717 4.480 -0.000 0.000 0.287 760 M C -1.679 174.605 176.300 -0.027 0.000 1.149 760 M CA -0.414 54.887 55.300 0.002 0.000 0.929 760 M CB 2.028 34.638 32.600 0.017 0.000 1.683 760 M HN 0.398 nan 8.290 nan 0.000 0.470 761 E N 3.732 123.914 120.200 -0.029 0.000 2.187 761 E HA 0.627 4.977 4.350 -0.000 0.000 0.268 761 E C -2.015 174.506 176.600 -0.132 0.000 0.896 761 E CA -0.676 55.661 56.400 -0.105 0.000 0.766 761 E CB 1.545 31.201 29.700 -0.074 0.000 1.142 761 E HN 0.599 nan 8.360 nan 0.000 0.408 762 L N 4.190 125.256 121.223 -0.261 0.000 2.365 762 L HA 0.454 4.794 4.340 -0.000 0.000 0.273 762 L C -1.096 175.521 176.870 -0.420 0.000 1.000 762 L CA -0.398 54.324 54.840 -0.197 0.000 0.819 762 L CB 1.268 43.276 42.059 -0.086 0.000 1.284 762 L HN 0.513 nan 8.230 nan 0.000 0.418 763 F N 2.908 122.861 119.950 0.005 0.000 2.332 763 F HA 0.625 5.152 4.527 -0.000 0.000 0.368 763 F C -0.076 175.718 175.800 -0.009 0.000 1.110 763 F CA -0.793 57.205 58.000 -0.002 0.000 1.087 763 F CB 1.248 40.252 39.000 0.007 0.000 1.235 763 F HN 0.034 nan 8.300 nan 0.000 0.470 764 V N 1.368 121.316 119.914 0.057 0.000 2.769 764 V HA 0.408 4.528 4.120 -0.000 0.000 0.312 764 V C -0.137 175.949 176.094 -0.014 0.000 1.061 764 V CA -1.021 61.291 62.300 0.020 0.000 0.931 764 V CB 2.080 33.889 31.823 -0.023 0.000 1.010 764 V HN 0.609 nan 8.190 nan 0.000 0.433 765 S N 2.604 118.275 115.700 -0.047 0.000 2.642 765 S HA 0.538 5.008 4.470 -0.000 0.000 0.309 765 S C -0.200 174.288 174.600 -0.186 0.000 1.125 765 S CA -0.024 58.100 58.200 -0.126 0.000 1.055 765 S CB -0.291 62.794 63.200 -0.191 0.000 1.157 765 S HN 1.046 nan 8.310 nan 0.000 0.513 766 T N 2.965 117.430 114.554 -0.148 0.000 2.821 766 T HA 0.388 4.738 4.350 -0.000 0.000 0.306 766 T C -0.380 174.244 174.700 -0.127 0.000 1.313 766 T CA -0.533 61.481 62.100 -0.143 0.000 1.012 766 T CB 1.573 70.385 68.868 -0.094 0.000 1.298 766 T HN 0.501 nan 8.240 nan 0.000 0.502 767 Q N 1.318 121.052 119.800 -0.110 0.000 2.194 767 Q HA 0.356 4.696 4.340 -0.000 0.000 0.214 767 Q C -0.057 175.910 176.000 -0.055 0.000 0.838 767 Q CA -0.279 55.473 55.803 -0.084 0.000 0.972 767 Q CB 0.514 29.208 28.738 -0.073 0.000 1.131 767 Q HN 0.352 nan 8.270 nan 0.000 0.498 768 N N 0.293 118.948 118.700 -0.074 0.000 2.690 768 N HA 0.293 5.033 4.740 -0.000 0.000 0.255 768 N C -0.409 175.034 175.510 -0.112 0.000 1.195 768 N CA 0.039 53.039 53.050 -0.083 0.000 0.790 768 N CB 1.359 39.783 38.487 -0.105 0.000 1.216 768 N HN 0.129 nan 8.380 nan 0.000 0.528 769 A N 3.354 126.121 122.820 -0.089 0.000 1.968 769 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 769 A C 2.101 179.626 177.584 -0.099 0.000 1.169 769 A CA 0.816 52.797 52.037 -0.094 0.000 0.638 769 A CB -0.235 18.718 19.000 -0.079 0.000 0.812 769 A HN 0.685 nan 8.150 nan 0.000 0.446 770 M N -0.759 118.790 119.600 -0.085 0.000 2.080 770 M HA -0.175 4.305 4.480 -0.000 0.000 0.260 770 M C 1.760 177.980 176.300 -0.132 0.000 1.068 770 M CA 1.786 57.038 55.300 -0.079 0.000 1.109 770 M CB -0.105 32.465 32.600 -0.049 0.000 1.342 770 M HN 0.126 nan 8.290 nan 0.000 0.405 771 K N -0.323 119.937 120.400 -0.232 0.000 2.097 771 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 771 K C 1.912 178.192 176.600 -0.533 0.000 1.050 771 K CA 1.760 57.751 56.287 -0.493 0.000 0.938 771 K CB -0.962 31.102 32.500 -0.727 0.000 0.718 771 K HN 0.414 nan 8.250 nan 0.000 0.442 772 T N 1.851 116.210 114.554 -0.324 0.000 2.720 772 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 772 T C 1.934 176.580 174.700 -0.090 0.000 1.037 772 T CA 1.606 63.591 62.100 -0.191 0.000 1.144 772 T CB -0.071 68.722 68.868 -0.126 0.000 0.864 772 T HN 0.377 nan 8.240 nan 0.000 0.444 773 Q N 0.930 120.678 119.800 -0.086 0.000 2.020 773 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 773 Q C 2.460 178.465 176.000 0.008 0.000 0.982 773 Q CA 2.173 57.951 55.803 -0.041 0.000 0.838 773 Q CB -0.183 28.526 28.738 -0.048 0.000 0.899 773 Q HN 0.650 nan 8.270 nan 0.000 0.423 774 S N -0.584 115.138 115.700 0.037 0.000 2.406 774 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 774 S C 1.695 176.437 174.600 0.236 0.000 1.020 774 S CA 0.570 58.837 58.200 0.112 0.000 0.965 774 S CB -0.412 62.860 63.200 0.119 0.000 0.798 774 S HN 0.323 nan 8.310 nan 0.000 0.488 775 F N 2.062 121.980 119.950 -0.054 0.000 2.146 775 F HA 0.098 4.625 4.527 -0.000 0.000 0.298 775 F C 2.575 178.333 175.800 -0.070 0.000 1.096 775 F CA -0.402 57.562 58.000 -0.060 0.000 1.275 775 F CB -1.114 37.853 39.000 -0.054 0.000 1.008 775 F HN 0.064 nan 8.300 nan 0.000 0.480 776 V N -0.109 119.887 119.914 0.138 0.000 2.343 776 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 776 V C 2.595 178.688 176.094 -0.002 0.000 1.051 776 V CA 1.688 64.009 62.300 0.035 0.000 1.036 776 V CB -1.344 30.485 31.823 0.011 0.000 0.654 776 V HN 0.320 nan 8.190 nan 0.000 0.451 777 A N -0.383 122.443 122.820 0.010 0.000 1.898 777 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 777 A C 2.347 179.909 177.584 -0.036 0.000 1.181 777 A CA 2.060 54.088 52.037 -0.015 0.000 0.620 777 A CB -0.459 18.539 19.000 -0.004 0.000 0.819 777 A HN 0.504 nan 8.150 nan 0.000 0.442 778 K N -1.044 119.339 120.400 -0.029 0.000 2.097 778 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 778 K C 2.117 178.659 176.600 -0.097 0.000 1.049 778 K CA 1.516 57.762 56.287 -0.068 0.000 0.933 778 K CB -0.206 32.234 32.500 -0.100 0.000 0.717 778 K HN 0.445 nan 8.250 nan 0.000 0.442 779 M N 1.044 120.584 119.600 -0.101 0.000 2.132 779 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 779 M C 1.721 177.920 176.300 -0.168 0.000 1.065 779 M CA 1.573 56.793 55.300 -0.133 0.000 1.122 779 M CB -0.358 32.162 32.600 -0.133 0.000 1.365 779 M HN 0.206 nan 8.290 nan 0.000 0.411 780 L N -0.260 120.862 121.223 -0.168 0.000 2.240 780 L HA 0.089 4.429 4.340 -0.000 0.000 0.211 780 L C 1.243 177.998 176.870 -0.192 0.000 1.106 780 L CA 0.655 55.348 54.840 -0.245 0.000 0.793 780 L CB -0.689 41.262 42.059 -0.180 0.000 0.927 780 L HN 0.618 nan 8.230 nan 0.000 0.446 781 G N 1.160 109.889 108.800 -0.119 0.000 2.291 781 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.271 781 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.271 781 G C -0.177 174.688 174.900 -0.059 0.000 1.099 781 G CA 0.157 45.206 45.100 -0.085 0.000 0.919 781 G HN 0.301 nan 8.290 nan 0.000 0.496 782 V N -3.443 116.442 119.914 -0.047 0.000 3.007 782 V HA 0.932 5.052 4.120 -0.000 0.000 0.311 782 V C -2.085 173.996 176.094 -0.022 0.000 1.120 782 V CA -2.850 59.434 62.300 -0.027 0.000 0.980 782 V CB 1.931 33.744 31.823 -0.017 0.000 1.033 782 V HN 0.106 nan 8.190 nan 0.000 0.429 783 P HA 0.128 nan 4.420 nan 0.000 0.267 783 P C 1.041 178.332 177.300 -0.015 0.000 1.201 783 P CA 0.036 63.127 63.100 -0.016 0.000 0.775 783 P CB 0.649 32.342 31.700 -0.013 0.000 0.854 784 V N 1.504 121.410 119.914 -0.014 0.000 2.594 784 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 784 V C 1.892 177.977 176.094 -0.015 0.000 1.069 784 V CA 2.222 64.514 62.300 -0.013 0.000 1.082 784 V CB -1.399 30.417 31.823 -0.011 0.000 0.680 784 V HN 0.686 nan 8.190 nan 0.000 0.469 785 N N 0.608 119.299 118.700 -0.015 0.000 2.520 785 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 785 N C 1.588 177.089 175.510 -0.014 0.000 1.068 785 N CA 0.910 53.951 53.050 -0.015 0.000 0.911 785 N CB -0.372 38.108 38.487 -0.013 0.000 0.961 785 N HN 0.302 nan 8.380 nan 0.000 0.446 786 R N -0.181 120.311 120.500 -0.013 0.000 2.246 786 R HA 0.208 4.548 4.340 -0.000 0.000 0.199 786 R C -0.037 176.254 176.300 -0.015 0.000 0.984 786 R CA 0.087 56.181 56.100 -0.010 0.000 1.015 786 R CB 0.183 30.480 30.300 -0.005 0.000 0.930 786 R HN 0.278 nan 8.270 nan 0.000 0.475 787 I N 2.010 122.567 120.570 -0.021 0.000 2.354 787 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 787 I C -0.255 175.833 176.117 -0.048 0.000 0.989 787 I CA -1.567 59.715 61.300 -0.031 0.000 1.188 787 I CB 1.307 39.291 38.000 -0.026 0.000 1.342 787 I HN -0.150 nan 8.210 nan 0.000 0.457 788 L N 8.369 129.550 121.223 -0.070 0.000 2.322 788 L HA 0.655 4.995 4.340 -0.000 0.000 0.281 788 L C -0.845 175.934 176.870 -0.152 0.000 1.014 788 L CA -0.319 54.461 54.840 -0.100 0.000 0.815 788 L CB 1.760 43.757 42.059 -0.103 0.000 1.247 788 L HN 0.286 nan 8.230 nan 0.000 0.421 789 V N 5.675 125.499 119.914 -0.150 0.000 2.540 789 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 789 V C -0.274 175.700 176.094 -0.200 0.000 1.035 789 V CA -0.634 61.558 62.300 -0.181 0.000 0.873 789 V CB 1.800 33.548 31.823 -0.124 0.000 0.992 789 V HN 0.756 nan 8.190 nan 0.000 0.428 790 R N 3.061 123.396 120.500 -0.276 0.000 2.561 790 R HA 0.796 5.136 4.340 -0.000 0.000 0.297 790 R C -1.648 174.581 176.300 -0.119 0.000 0.969 790 R CA -0.721 55.249 56.100 -0.216 0.000 0.879 790 R CB 2.571 32.685 30.300 -0.310 0.000 1.178 790 R HN 0.481 nan 8.270 nan 0.000 0.445 791 V N 3.764 123.638 119.914 -0.068 0.000 2.380 791 V HA 0.172 4.292 4.120 -0.000 0.000 0.286 791 V C 0.608 176.693 176.094 -0.014 0.000 1.015 791 V CA -0.740 61.540 62.300 -0.033 0.000 0.834 791 V CB 1.351 33.141 31.823 -0.055 0.000 1.009 791 V HN 0.699 nan 8.190 nan 0.000 0.428 792 K N 3.998 124.405 120.400 0.011 0.000 1.974 792 K HA 0.127 4.447 4.320 -0.000 0.000 0.211 792 K C 0.765 177.355 176.600 -0.016 0.000 1.039 792 K CA 1.342 57.622 56.287 -0.012 0.000 0.947 792 K CB 0.259 32.747 32.500 -0.020 0.000 0.735 792 K HN 0.843 nan 8.250 nan 0.000 0.441 793 R N -1.343 119.129 120.500 -0.047 0.000 2.692 793 R HA 0.447 4.787 4.340 -0.000 0.000 0.269 793 R C -1.060 175.229 176.300 -0.020 0.000 1.030 793 R CA -0.658 55.413 56.100 -0.050 0.000 0.882 793 R CB 0.949 31.183 30.300 -0.110 0.000 1.250 793 R HN -0.114 nan 8.270 nan 0.000 0.465 794 M N 0.886 120.481 119.600 -0.009 0.000 2.436 794 M HA 0.395 4.875 4.480 -0.000 0.000 0.331 794 M C 0.508 176.852 176.300 0.072 0.000 1.135 794 M CA -0.675 54.612 55.300 -0.022 0.000 0.987 794 M CB 2.386 34.881 32.600 -0.175 0.000 1.687 794 M HN 0.950 nan 8.290 nan 0.000 0.445 795 G N 1.764 110.580 108.800 0.027 0.000 3.541 795 G HA2 0.498 4.458 3.960 -0.000 0.000 0.253 795 G HA3 0.498 4.458 3.960 -0.000 0.000 0.253 795 G C 0.296 175.079 174.900 -0.194 0.000 1.017 795 G CA 0.187 45.234 45.100 -0.089 0.000 1.832 795 G HN 1.085 nan 8.290 nan 0.000 0.649 796 G N -1.351 107.350 108.800 -0.165 0.000 2.911 796 G HA2 0.375 4.335 3.960 -0.000 0.000 0.686 796 G HA3 0.375 4.335 3.960 -0.000 0.000 0.686 796 G C 0.465 175.153 174.900 -0.354 0.000 1.136 796 G CA -0.348 44.598 45.100 -0.258 0.000 0.764 796 G HN 1.139 nan 8.290 nan 0.000 0.626 797 G N -0.181 108.255 108.800 -0.607 0.000 2.604 797 G HA2 0.543 4.503 3.960 -0.000 0.000 0.202 797 G HA3 0.543 4.503 3.960 -0.000 0.000 0.202 797 G C 0.951 175.788 174.900 -0.104 0.000 1.212 797 G CA 0.859 45.760 45.100 -0.332 0.000 0.627 797 G HN 1.687 nan 8.290 nan 0.000 0.850 798 F N 0.976 120.925 119.950 -0.003 0.000 3.079 798 F HA -0.211 4.316 4.527 -0.000 0.000 0.285 798 F C 1.985 177.769 175.800 -0.027 0.000 0.819 798 F CA 1.073 59.060 58.000 -0.021 0.000 1.067 798 F CB -1.471 37.472 39.000 -0.095 0.000 1.263 798 F HN 1.141 nan 8.300 nan 0.000 0.458 799 G N -1.263 107.585 108.800 0.079 0.000 2.232 799 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.226 799 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.226 799 G C 1.150 176.053 174.900 0.004 0.000 0.996 799 G CA 0.137 45.311 45.100 0.122 0.000 0.626 799 G HN 1.163 nan 8.290 nan 0.000 0.509 800 G N 0.134 108.711 108.800 -0.371 0.000 2.471 800 G HA2 0.106 4.066 3.960 -0.000 0.000 0.219 800 G HA3 0.106 4.066 3.960 -0.000 0.000 0.219 800 G C 1.204 176.036 174.900 -0.113 0.000 1.125 800 G CA 1.398 45.963 45.100 -0.892 0.000 0.775 800 G HN 0.521 nan 8.290 nan 0.000 0.548 801 K N -0.125 120.204 120.400 -0.119 0.000 2.514 801 K HA 0.193 4.513 4.320 -0.000 0.000 0.207 801 K C 1.418 177.995 176.600 -0.037 0.000 1.035 801 K CA -0.104 56.123 56.287 -0.100 0.000 1.113 801 K CB 0.714 33.004 32.500 -0.351 0.000 0.846 801 K HN 0.362 nan 8.250 nan 0.000 0.491 802 E N 0.718 120.932 120.200 0.023 0.000 2.158 802 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 802 E C 1.234 177.857 176.600 0.038 0.000 0.982 802 E CA 1.750 58.179 56.400 0.048 0.000 0.823 802 E CB 0.442 30.215 29.700 0.122 0.000 0.766 802 E HN 0.289 nan 8.360 nan 0.000 0.468 803 T N -3.386 111.206 114.554 0.063 0.000 3.367 803 T HA 0.164 4.514 4.350 -0.000 0.000 0.273 803 T C 1.419 176.152 174.700 0.056 0.000 0.879 803 T CA -0.574 61.545 62.100 0.031 0.000 0.952 803 T CB -0.276 68.645 68.868 0.088 0.000 1.236 803 T HN -0.099 nan 8.240 nan 0.000 0.532 804 R N 2.784 123.344 120.500 0.100 0.000 2.377 804 R HA 0.160 4.500 4.340 -0.000 0.000 0.207 804 R C 2.433 178.718 176.300 -0.026 0.000 1.075 804 R CA 1.068 57.202 56.100 0.057 0.000 1.035 804 R CB -1.125 29.210 30.300 0.059 0.000 0.857 804 R HN 0.773 nan 8.270 nan 0.000 0.475 805 S N -0.338 115.427 115.700 0.107 0.000 2.461 805 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 805 S C 1.852 176.485 174.600 0.056 0.000 1.005 805 S CA 1.126 59.441 58.200 0.191 0.000 0.942 805 S CB -0.359 62.957 63.200 0.193 0.000 0.776 805 S HN 0.408 nan 8.310 nan 0.000 0.514 806 T N 0.687 115.254 114.554 0.023 0.000 3.007 806 T HA 0.125 4.475 4.350 -0.000 0.000 0.270 806 T C 1.683 176.416 174.700 0.056 0.000 1.107 806 T CA 0.745 62.869 62.100 0.040 0.000 1.118 806 T CB -0.774 68.147 68.868 0.089 0.000 0.889 806 T HN 0.399 nan 8.240 nan 0.000 0.506 807 L N 0.506 121.745 121.223 0.026 0.000 2.083 807 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 807 L C 2.787 179.660 176.870 0.005 0.000 1.083 807 L CA 0.965 55.813 54.840 0.013 0.000 0.752 807 L CB -0.419 41.636 42.059 -0.007 0.000 0.899 807 L HN 0.239 nan 8.230 nan 0.000 0.433 808 V N -2.035 117.882 119.914 0.005 0.000 2.500 808 V HA -0.117 4.003 4.120 -0.000 0.000 0.243 808 V C 2.438 178.551 176.094 0.031 0.000 1.039 808 V CA 1.323 63.643 62.300 0.033 0.000 1.053 808 V CB -0.009 31.847 31.823 0.055 0.000 0.695 808 V HN 0.291 nan 8.190 nan 0.000 0.463 809 S N 0.883 116.600 115.700 0.028 0.000 2.359 809 S HA -0.205 4.265 4.470 -0.000 0.000 0.222 809 S C 2.063 176.664 174.600 0.003 0.000 1.038 809 S CA 1.817 60.029 58.200 0.019 0.000 1.051 809 S CB -0.447 62.759 63.200 0.010 0.000 0.944 809 S HN 0.363 nan 8.310 nan 0.000 0.433 810 V N 1.932 121.839 119.914 -0.011 0.000 2.490 810 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 810 V C 2.530 178.553 176.094 -0.119 0.000 1.061 810 V CA 1.578 63.844 62.300 -0.056 0.000 1.064 810 V CB -1.233 30.551 31.823 -0.065 0.000 0.670 810 V HN 0.550 nan 8.190 nan 0.000 0.461 811 A N -0.320 122.433 122.820 -0.113 0.000 1.897 811 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 811 A C 2.346 179.941 177.584 0.019 0.000 1.181 811 A CA 1.679 53.653 52.037 -0.105 0.000 0.620 811 A CB -0.481 18.526 19.000 0.011 0.000 0.821 811 A HN 0.335 nan 8.150 nan 0.000 0.443 812 V N -0.053 119.880 119.914 0.031 0.000 2.427 812 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 812 V C 3.014 179.134 176.094 0.043 0.000 1.051 812 V CA 1.709 64.037 62.300 0.048 0.000 1.048 812 V CB -1.133 30.718 31.823 0.047 0.000 0.666 812 V HN 0.590 nan 8.190 nan 0.000 0.456 813 A N -0.066 122.770 122.820 0.026 0.000 1.902 813 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 813 A C 2.165 179.790 177.584 0.069 0.000 1.181 813 A CA 2.058 54.116 52.037 0.035 0.000 0.623 813 A CB -0.540 18.464 19.000 0.007 0.000 0.818 813 A HN 0.460 nan 8.150 nan 0.000 0.443 814 L N -0.445 120.803 121.223 0.042 0.000 2.093 814 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 814 L C 2.636 179.605 176.870 0.165 0.000 1.085 814 L CA 2.011 56.909 54.840 0.097 0.000 0.755 814 L CB -0.552 41.533 42.059 0.043 0.000 0.904 814 L HN 0.331 nan 8.230 nan 0.000 0.435 815 A N -0.677 122.208 122.820 0.109 0.000 1.930 815 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 815 A C 2.428 180.045 177.584 0.055 0.000 1.175 815 A CA 1.490 53.571 52.037 0.073 0.000 0.627 815 A CB -1.005 18.026 19.000 0.051 0.000 0.815 815 A HN 0.538 nan 8.150 nan 0.000 0.443 816 A N -1.042 121.820 122.820 0.070 0.000 1.855 816 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 816 A C 2.143 179.766 177.584 0.065 0.000 1.191 816 A CA 1.655 53.728 52.037 0.059 0.000 0.613 816 A CB -0.987 18.050 19.000 0.062 0.000 0.829 816 A HN 0.777 nan 8.150 nan 0.000 0.442 817 Y N 0.678 120.980 120.300 0.004 0.000 2.081 817 Y HA -0.282 4.268 4.550 -0.000 0.000 0.280 817 Y C 2.324 178.228 175.900 0.008 0.000 1.163 817 Y CA 2.693 60.794 58.100 0.003 0.000 1.135 817 Y CB -0.319 38.140 38.460 -0.002 0.000 0.970 817 Y HN 0.223 nan 8.280 nan 0.000 0.498 818 K N -0.192 120.163 120.400 -0.074 0.000 2.097 818 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 818 K C 2.182 178.691 176.600 -0.153 0.000 1.050 818 K CA 2.014 58.203 56.287 -0.164 0.000 0.938 818 K CB -0.632 31.907 32.500 0.065 0.000 0.718 818 K HN 0.614 nan 8.250 nan 0.000 0.442 819 T N -4.510 109.995 114.554 -0.082 0.000 3.009 819 T HA 0.180 4.530 4.350 -0.000 0.000 0.258 819 T C 1.609 176.351 174.700 0.070 0.000 1.063 819 T CA 0.803 62.870 62.100 -0.054 0.000 1.139 819 T CB 0.006 68.795 68.868 -0.132 0.000 0.890 819 T HN 0.298 nan 8.240 nan 0.000 0.471 820 G N 1.118 109.932 108.800 0.023 0.000 2.217 820 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.246 820 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.246 820 G C 0.085 175.030 174.900 0.074 0.000 0.990 820 G CA 0.238 45.351 45.100 0.022 0.000 0.627 820 G HN 0.790 nan 8.290 nan 0.000 0.522 821 H N 1.755 120.775 119.070 -0.083 0.000 2.496 821 H HA 0.405 4.961 4.556 -0.000 0.000 0.342 821 H C -2.267 173.012 175.328 -0.082 0.000 1.170 821 H CA -1.685 54.312 56.048 -0.086 0.000 1.274 821 H CB 1.980 31.704 29.762 -0.063 0.000 1.538 821 H HN 0.156 nan 8.280 nan 0.000 0.542 822 P HA 0.051 nan 4.420 nan 0.000 0.275 822 P C -0.604 176.701 177.300 0.008 0.000 1.228 822 P CA -0.104 63.000 63.100 0.007 0.000 0.786 822 P CB 1.333 33.019 31.700 -0.024 0.000 0.927 823 V N 3.517 123.428 119.914 -0.006 0.000 2.876 823 V HA 0.630 4.750 4.120 -0.000 0.000 0.312 823 V C 0.347 176.400 176.094 -0.068 0.000 1.085 823 V CA -0.723 61.538 62.300 -0.065 0.000 0.945 823 V CB 2.283 34.091 31.823 -0.025 0.000 1.017 823 V HN 0.725 nan 8.190 nan 0.000 0.428 824 R N 1.553 121.959 120.500 -0.156 0.000 2.836 824 R HA 0.932 5.272 4.340 -0.000 0.000 0.269 824 R C -1.495 174.804 176.300 -0.001 0.000 1.010 824 R CA -0.635 55.415 56.100 -0.083 0.000 0.930 824 R CB 1.851 32.072 30.300 -0.131 0.000 1.218 824 R HN 0.765 nan 8.270 nan 0.000 0.473 825 C N 2.648 121.990 119.300 0.070 0.000 2.989 825 C HA 0.559 5.019 4.460 -0.000 0.000 0.397 825 C C -1.281 173.780 174.990 0.119 0.000 1.022 825 C CA -0.558 58.536 59.018 0.126 0.000 1.232 825 C CB 1.405 29.217 27.740 0.119 0.000 1.638 825 C HN 0.986 nan 8.230 nan 0.000 0.534 826 M N 6.680 126.361 119.600 0.136 0.000 2.190 826 M HA 0.550 5.030 4.480 -0.000 0.000 0.312 826 M C -1.154 175.213 176.300 0.112 0.000 0.990 826 M CA -0.580 54.786 55.300 0.110 0.000 0.927 826 M CB 1.240 33.907 32.600 0.112 0.000 1.571 826 M HN 0.735 nan 8.290 nan 0.000 0.427 827 L N 3.585 124.873 121.223 0.109 0.000 2.439 827 L HA 0.206 4.546 4.340 -0.000 0.000 0.269 827 L C 0.243 177.177 176.870 0.107 0.000 1.179 827 L CA -0.282 54.627 54.840 0.114 0.000 0.828 827 L CB 0.294 42.431 42.059 0.130 0.000 1.106 827 L HN 0.605 nan 8.230 nan 0.000 0.467 828 D N 0.739 121.204 120.400 0.108 0.000 2.329 828 D HA 0.071 4.711 4.640 -0.000 0.000 0.246 828 D C 0.902 177.284 176.300 0.136 0.000 1.111 828 D CA -0.341 53.727 54.000 0.113 0.000 0.941 828 D CB 1.342 42.198 40.800 0.094 0.000 1.169 828 D HN 0.353 nan 8.370 nan 0.000 0.441 829 R N 1.855 122.445 120.500 0.150 0.000 2.133 829 R HA -0.269 4.071 4.340 -0.000 0.000 0.245 829 R C 1.633 178.027 176.300 0.158 0.000 1.137 829 R CA 2.467 58.647 56.100 0.133 0.000 0.947 829 R CB -0.399 30.003 30.300 0.170 0.000 0.865 829 R HN 0.547 nan 8.270 nan 0.000 0.437 830 N N 0.152 118.982 118.700 0.215 0.000 2.223 830 N HA -0.176 4.564 4.740 -0.000 0.000 0.185 830 N C 1.251 176.852 175.510 0.152 0.000 1.016 830 N CA 2.004 55.171 53.050 0.195 0.000 0.863 830 N CB -0.459 38.191 38.487 0.272 0.000 0.983 830 N HN 0.515 nan 8.380 nan 0.000 0.429 831 E N -0.024 120.265 120.200 0.149 0.000 2.072 831 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 831 E C 1.200 177.874 176.600 0.123 0.000 0.985 831 E CA 1.152 57.630 56.400 0.130 0.000 0.801 831 E CB -0.213 29.562 29.700 0.125 0.000 0.750 831 E HN 0.498 nan 8.360 nan 0.000 0.452 832 D N 0.383 120.866 120.400 0.138 0.000 2.117 832 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 832 D C 1.947 178.335 176.300 0.146 0.000 0.987 832 D CA 1.203 55.305 54.000 0.170 0.000 0.829 832 D CB 0.132 41.072 40.800 0.233 0.000 0.961 832 D HN 0.049 nan 8.370 nan 0.000 0.460 833 M N -0.548 119.114 119.600 0.103 0.000 2.254 833 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 833 M C 1.886 178.216 176.300 0.050 0.000 1.066 833 M CA 0.583 55.912 55.300 0.048 0.000 1.123 833 M CB 0.047 32.651 32.600 0.006 0.000 1.388 833 M HN 0.171 nan 8.290 nan 0.000 0.425 834 L N 0.159 121.427 121.223 0.075 0.000 2.162 834 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 834 L C 1.828 178.758 176.870 0.101 0.000 1.086 834 L CA 1.633 56.523 54.840 0.083 0.000 0.778 834 L CB -0.037 42.078 42.059 0.093 0.000 0.928 834 L HN 0.181 nan 8.230 nan 0.000 0.446 835 I N -1.597 119.033 120.570 0.099 0.000 2.729 835 I HA -0.085 4.085 4.170 -0.000 0.000 0.256 835 I C 2.247 178.405 176.117 0.068 0.000 1.115 835 I CA 1.034 62.387 61.300 0.089 0.000 1.446 835 I CB -0.822 37.228 38.000 0.082 0.000 1.176 835 I HN 0.268 nan 8.210 nan 0.000 0.446 836 T N -0.192 114.395 114.554 0.054 0.000 2.996 836 T HA 0.105 4.455 4.350 -0.000 0.000 0.271 836 T C 1.119 175.907 174.700 0.147 0.000 1.126 836 T CA 0.671 62.791 62.100 0.033 0.000 1.103 836 T CB -0.930 67.974 68.868 0.060 0.000 0.870 836 T HN 0.665 nan 8.240 nan 0.000 0.528 837 G N -0.876 108.020 108.800 0.160 0.000 2.814 837 G HA2 0.366 4.326 3.960 -0.000 0.000 0.677 837 G HA3 0.366 4.326 3.960 -0.000 0.000 0.677 837 G C -0.057 174.999 174.900 0.259 0.000 1.429 837 G CA -0.602 44.602 45.100 0.174 0.000 0.868 837 G HN 1.249 nan 8.290 nan 0.000 0.553 838 G N -0.749 108.147 108.800 0.159 0.000 3.085 838 G HA2 0.769 4.729 3.960 -0.000 0.000 0.264 838 G HA3 0.769 4.729 3.960 -0.000 0.000 0.264 838 G C 0.005 174.988 174.900 0.138 0.000 1.206 838 G CA 0.121 45.252 45.100 0.052 0.000 0.809 838 G HN 0.878 nan 8.290 nan 0.000 0.592 839 R N -0.268 120.337 120.500 0.175 0.000 2.641 839 R HA 0.259 4.599 4.340 -0.000 0.000 0.269 839 R C -0.686 175.690 176.300 0.127 0.000 1.074 839 R CA -0.352 55.872 56.100 0.207 0.000 1.133 839 R CB 0.091 30.359 30.300 -0.054 0.000 1.029 839 R HN 0.570 nan 8.270 nan 0.000 0.488 840 H N 3.350 122.490 119.070 0.117 0.000 2.767 840 H HA 0.206 4.762 4.556 -0.000 0.000 0.316 840 H C -2.068 173.395 175.328 0.225 0.000 1.059 840 H CA -1.387 54.775 56.048 0.191 0.000 1.461 840 H CB 0.932 30.881 29.762 0.313 0.000 1.475 840 H HN 0.398 nan 8.280 nan 0.000 0.531 841 P HA 0.118 nan 4.420 nan 0.000 0.280 841 P C -0.760 176.702 177.300 0.270 0.000 1.244 841 P CA 0.065 63.238 63.100 0.122 0.000 0.784 841 P CB 0.596 32.349 31.700 0.089 0.000 0.913 842 F N 2.553 122.411 119.950 -0.154 0.000 2.507 842 F HA 0.577 5.104 4.527 -0.000 0.000 0.327 842 F C -0.101 175.702 175.800 0.006 0.000 1.068 842 F CA -1.047 56.956 58.000 0.004 0.000 0.965 842 F CB 1.594 40.641 39.000 0.078 0.000 1.192 842 F HN 0.075 nan 8.300 nan 0.000 0.476 843 L N 3.193 124.595 121.223 0.298 0.000 2.404 843 L HA 0.786 5.126 4.340 -0.000 0.000 0.272 843 L C -1.182 175.916 176.870 0.380 0.000 0.980 843 L CA -0.287 54.773 54.840 0.366 0.000 0.836 843 L CB 1.231 43.483 42.059 0.322 0.000 1.238 843 L HN 0.580 nan 8.230 nan 0.000 0.408 844 A N 5.098 128.131 122.820 0.354 0.000 2.350 844 A HA 0.880 5.200 4.320 -0.000 0.000 0.324 844 A C -0.623 177.159 177.584 0.330 0.000 1.118 844 A CA -0.700 51.516 52.037 0.298 0.000 0.783 844 A CB 1.062 20.197 19.000 0.224 0.000 1.236 844 A HN 0.713 nan 8.150 nan 0.000 0.457 845 R N 1.735 122.403 120.500 0.281 0.000 2.352 845 R HA 0.425 4.765 4.340 -0.000 0.000 0.304 845 R C -1.245 175.178 176.300 0.204 0.000 1.104 845 R CA -0.254 55.980 56.100 0.223 0.000 0.991 845 R CB 0.956 31.357 30.300 0.169 0.000 1.140 845 R HN 0.829 nan 8.270 nan 0.000 0.540 846 Y N -0.222 120.115 120.300 0.061 0.000 2.596 846 Y HA 0.691 5.241 4.550 -0.000 0.000 0.326 846 Y C -0.386 175.517 175.900 0.006 0.000 1.167 846 Y CA -1.299 56.824 58.100 0.038 0.000 1.246 846 Y CB 1.456 39.978 38.460 0.102 0.000 1.347 846 Y HN 0.197 nan 8.280 nan 0.000 0.515 847 K N 1.468 121.893 120.400 0.040 0.000 2.610 847 K HA 0.486 4.806 4.320 -0.000 0.000 0.274 847 K C -2.786 173.880 176.600 0.109 0.000 1.049 847 K CA -0.590 55.669 56.287 -0.046 0.000 0.945 847 K CB 2.024 34.431 32.500 -0.154 0.000 1.313 847 K HN 0.805 nan 8.250 nan 0.000 0.463 848 V N 3.441 123.427 119.914 0.119 0.000 2.531 848 V HA 0.806 4.926 4.120 -0.000 0.000 0.301 848 V C -0.238 176.078 176.094 0.370 0.000 1.034 848 V CA -0.059 62.306 62.300 0.107 0.000 0.865 848 V CB 1.509 33.126 31.823 -0.343 0.000 0.995 848 V HN 0.828 nan 8.190 nan 0.000 0.424 849 G N 5.818 114.827 108.800 0.350 0.000 2.389 849 G HA2 0.761 4.721 3.960 -0.000 0.000 0.317 849 G HA3 0.761 4.721 3.960 -0.000 0.000 0.317 849 G C -1.112 173.934 174.900 0.244 0.000 1.137 849 G CA -0.432 44.816 45.100 0.247 0.000 0.870 849 G HN 1.170 nan 8.290 nan 0.000 0.496 850 F N -0.419 119.512 119.950 -0.032 0.000 2.773 850 F HA 0.677 5.204 4.527 -0.000 0.000 0.314 850 F C -0.785 174.996 175.800 -0.032 0.000 1.160 850 F CA -1.823 56.143 58.000 -0.055 0.000 0.920 850 F CB 1.179 40.145 39.000 -0.058 0.000 1.323 850 F HN 0.280 nan 8.300 nan 0.000 0.457 851 M N 1.702 121.378 119.600 0.126 0.000 2.359 851 M HA 0.387 4.867 4.480 -0.000 0.000 0.322 851 M C 1.000 177.370 176.300 0.118 0.000 1.166 851 M CA -0.587 54.737 55.300 0.039 0.000 1.067 851 M CB 1.331 33.949 32.600 0.029 0.000 1.523 851 M HN 0.838 nan 8.290 nan 0.000 0.467 852 K N 0.352 120.782 120.400 0.050 0.000 2.127 852 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 852 K C 1.576 178.240 176.600 0.107 0.000 1.047 852 K CA 2.183 58.516 56.287 0.077 0.000 0.927 852 K CB -0.598 31.923 32.500 0.035 0.000 0.716 852 K HN 0.896 nan 8.250 nan 0.000 0.450 853 T N -2.583 112.021 114.554 0.082 0.000 2.977 853 T HA -0.030 4.320 4.350 -0.000 0.000 0.271 853 T C 1.544 176.292 174.700 0.080 0.000 1.105 853 T CA 1.123 63.265 62.100 0.071 0.000 1.116 853 T CB -0.133 68.764 68.868 0.048 0.000 0.878 853 T HN 0.456 nan 8.240 nan 0.000 0.509 854 G N 0.248 109.124 108.800 0.125 0.000 2.184 854 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.206 854 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.206 854 G C 0.166 175.084 174.900 0.030 0.000 0.995 854 G CA -0.103 45.046 45.100 0.081 0.000 0.651 854 G HN 0.668 nan 8.290 nan 0.000 0.511 855 T N 2.171 116.759 114.554 0.056 0.000 2.799 855 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 855 T C 0.724 175.447 174.700 0.039 0.000 0.947 855 T CA 0.126 62.230 62.100 0.007 0.000 1.141 855 T CB 1.007 69.872 68.868 -0.005 0.000 0.891 855 T HN 0.257 nan 8.240 nan 0.000 0.533 856 I N 4.243 124.793 120.570 -0.034 0.000 2.556 856 I HA 0.030 4.200 4.170 -0.000 0.000 0.284 856 I C 1.211 177.285 176.117 -0.071 0.000 1.114 856 I CA 0.468 61.739 61.300 -0.048 0.000 1.418 856 I CB 0.976 38.893 38.000 -0.139 0.000 1.394 856 I HN 0.458 nan 8.210 nan 0.000 0.552 857 V N 4.873 124.741 119.914 -0.077 0.000 3.151 857 V HA 0.498 4.618 4.120 -0.000 0.000 0.241 857 V C 0.535 176.476 176.094 -0.255 0.000 1.173 857 V CA 0.779 62.998 62.300 -0.135 0.000 1.154 857 V CB 0.311 32.070 31.823 -0.107 0.000 0.898 857 V HN 0.824 nan 8.190 nan 0.000 0.473 858 A N 0.191 122.799 122.820 -0.353 0.000 2.539 858 A HA 0.860 5.180 4.320 -0.000 0.000 0.296 858 A C -1.966 175.337 177.584 -0.468 0.000 1.073 858 A CA -0.376 51.288 52.037 -0.622 0.000 0.700 858 A CB 2.422 20.538 19.000 -1.472 0.000 1.296 858 A HN 0.161 nan 8.150 nan 0.000 0.405 859 L N 0.081 121.083 121.223 -0.367 0.000 2.505 859 L HA 0.736 5.076 4.340 -0.000 0.000 0.259 859 L C -1.115 175.747 176.870 -0.014 0.000 0.952 859 L CA 0.130 54.846 54.840 -0.206 0.000 0.840 859 L CB 2.191 44.065 42.059 -0.308 0.000 1.358 859 L HN 0.804 nan 8.230 nan 0.000 0.409 860 E N 3.333 123.580 120.200 0.078 0.000 2.361 860 E HA 0.575 4.925 4.350 -0.000 0.000 0.270 860 E C -1.799 174.862 176.600 0.102 0.000 0.911 860 E CA -0.404 56.070 56.400 0.123 0.000 0.818 860 E CB 2.173 31.994 29.700 0.202 0.000 1.332 860 E HN 0.386 nan 8.360 nan 0.000 0.402 861 V N 2.537 122.503 119.914 0.088 0.000 2.540 861 V HA 0.409 4.529 4.120 -0.000 0.000 0.302 861 V C -0.789 175.267 176.094 -0.063 0.000 1.035 861 V CA -0.914 61.403 62.300 0.029 0.000 0.873 861 V CB 2.108 33.936 31.823 0.008 0.000 0.992 861 V HN 0.563 nan 8.190 nan 0.000 0.428 862 D N 1.858 122.208 120.400 -0.083 0.000 2.440 862 D HA 0.491 5.131 4.640 -0.000 0.000 0.239 862 D C -0.635 175.593 176.300 -0.121 0.000 1.084 862 D CA -0.294 53.667 54.000 -0.065 0.000 0.843 862 D CB 0.989 41.821 40.800 0.054 0.000 1.097 862 D HN 0.621 nan 8.370 nan 0.000 0.531 863 H N 1.222 120.255 119.070 -0.063 0.000 2.467 863 H HA 0.483 5.039 4.556 -0.000 0.000 0.331 863 H C -0.702 174.389 175.328 -0.395 0.000 1.120 863 H CA -0.244 55.772 56.048 -0.053 0.000 1.270 863 H CB 0.777 30.577 29.762 0.063 0.000 1.466 863 H HN 0.315 nan 8.280 nan 0.000 0.504 864 Y N 0.427 120.676 120.300 -0.084 0.000 2.354 864 Y HA 0.352 4.902 4.550 -0.000 0.000 0.330 864 Y C -0.451 175.211 175.900 -0.396 0.000 1.011 864 Y CA -0.885 57.134 58.100 -0.135 0.000 1.099 864 Y CB 1.893 40.359 38.460 0.011 0.000 1.179 864 Y HN 0.690 nan 8.280 nan 0.000 0.442 865 S N 1.559 117.075 115.700 -0.307 0.000 2.482 865 S HA 0.428 4.898 4.470 -0.000 0.000 0.303 865 S C -0.801 173.816 174.600 0.029 0.000 1.091 865 S CA -1.088 56.919 58.200 -0.321 0.000 1.057 865 S CB 1.467 64.395 63.200 -0.453 0.000 1.031 865 S HN 0.741 nan 8.310 nan 0.000 0.485 866 N N 1.537 120.286 118.700 0.082 0.000 2.402 866 N HA 0.420 5.160 4.740 -0.000 0.000 0.252 866 N C 0.974 176.525 175.510 0.068 0.000 1.118 866 N CA -0.166 52.916 53.050 0.053 0.000 0.945 866 N CB 0.468 38.967 38.487 0.020 0.000 1.147 866 N HN 0.788 nan 8.380 nan 0.000 0.495 867 A N 3.130 126.037 122.820 0.144 0.000 2.072 867 A HA 0.352 4.672 4.320 -0.000 0.000 0.216 867 A C 1.162 178.830 177.584 0.140 0.000 1.156 867 A CA 0.854 53.029 52.037 0.231 0.000 0.701 867 A CB -0.643 18.624 19.000 0.445 0.000 0.816 867 A HN 0.909 nan 8.150 nan 0.000 0.458 868 G N 0.090 108.951 108.800 0.101 0.000 2.685 868 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.387 868 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.387 868 G C -0.059 174.932 174.900 0.151 0.000 1.324 868 G CA 0.022 45.163 45.100 0.069 0.000 0.878 868 G HN 1.022 nan 8.290 nan 0.000 0.527 869 N N -0.236 118.506 118.700 0.071 0.000 2.471 869 N HA 0.322 5.062 4.740 -0.000 0.000 0.205 869 N C 0.342 175.911 175.510 0.098 0.000 1.251 869 N CA 1.044 54.135 53.050 0.069 0.000 0.843 869 N CB 0.508 38.949 38.487 -0.076 0.000 1.044 869 N HN 1.340 nan 8.380 nan 0.000 0.461 870 S N -1.015 114.747 115.700 0.104 0.000 2.543 870 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 870 S C 0.468 174.910 174.600 -0.264 0.000 1.149 870 S CA -0.857 57.304 58.200 -0.065 0.000 0.866 870 S CB 1.145 64.343 63.200 -0.004 0.000 1.111 870 S HN 0.144 nan 8.310 nan 0.000 0.457 871 R N 1.814 122.022 120.500 -0.487 0.000 2.070 871 R HA -0.002 4.338 4.340 -0.000 0.000 0.232 871 R C 1.043 177.338 176.300 -0.009 0.000 1.138 871 R CA 1.765 57.579 56.100 -0.476 0.000 0.936 871 R CB -0.697 29.297 30.300 -0.511 0.000 0.839 871 R HN 0.931 nan 8.270 nan 0.000 0.429 872 D N -1.158 119.366 120.400 0.205 0.000 3.574 872 D HA -0.298 4.342 4.640 -0.000 0.000 0.153 872 D C 0.537 177.083 176.300 0.411 0.000 0.965 872 D CA 2.282 56.470 54.000 0.314 0.000 1.047 872 D CB -0.854 40.084 40.800 0.230 0.000 0.492 872 D HN 0.113 nan 8.370 nan 0.000 0.492 873 L N -0.007 121.426 121.223 0.350 0.000 2.607 873 L HA 0.177 4.517 4.340 -0.000 0.000 0.228 873 L C 2.253 179.245 176.870 0.203 0.000 1.123 873 L CA 0.440 55.501 54.840 0.369 0.000 0.890 873 L CB -0.098 42.228 42.059 0.445 0.000 1.103 873 L HN 0.225 nan 8.230 nan 0.000 0.468 874 S N -0.291 115.522 115.700 0.189 0.000 2.399 874 S HA -0.336 4.134 4.470 -0.000 0.000 0.235 874 S C 1.837 176.399 174.600 -0.063 0.000 1.063 874 S CA 2.090 60.328 58.200 0.062 0.000 1.070 874 S CB -0.391 62.991 63.200 0.305 0.000 0.904 874 S HN 0.571 nan 8.310 nan 0.000 0.456 875 H N 0.782 119.824 119.070 -0.047 0.000 2.333 875 H HA 0.102 4.658 4.556 -0.000 0.000 0.302 875 H C 2.272 177.587 175.328 -0.021 0.000 1.075 875 H CA 1.718 57.726 56.048 -0.067 0.000 1.348 875 H CB -0.267 29.423 29.762 -0.120 0.000 1.393 875 H HN 0.244 nan 8.280 nan 0.000 0.509 876 S N -0.398 115.406 115.700 0.174 0.000 2.423 876 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 876 S C 2.155 176.812 174.600 0.095 0.000 1.014 876 S CA 0.942 59.295 58.200 0.256 0.000 0.965 876 S CB -0.148 63.362 63.200 0.516 0.000 0.785 876 S HN 0.366 nan 8.310 nan 0.000 0.495 877 I N 0.685 121.063 120.570 -0.321 0.000 2.226 877 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 877 I C 2.431 178.380 176.117 -0.280 0.000 1.100 877 I CA 1.048 61.919 61.300 -0.715 0.000 1.374 877 I CB -0.212 37.238 38.000 -0.917 0.000 1.057 877 I HN 0.322 nan 8.210 nan 0.000 0.413 878 M N 0.985 120.441 119.600 -0.240 0.000 2.117 878 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 878 M C 2.036 178.236 176.300 -0.167 0.000 1.065 878 M CA 1.840 57.037 55.300 -0.171 0.000 1.114 878 M CB -0.526 31.892 32.600 -0.303 0.000 1.361 878 M HN 0.139 nan 8.290 nan 0.000 0.408 879 E N -0.822 119.268 120.200 -0.183 0.000 2.051 879 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 879 E C 2.205 178.893 176.600 0.146 0.000 0.991 879 E CA 1.404 57.751 56.400 -0.088 0.000 0.799 879 E CB -0.459 29.293 29.700 0.087 0.000 0.748 879 E HN 0.538 nan 8.360 nan 0.000 0.449 880 R N 0.961 121.647 120.500 0.310 0.000 2.127 880 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 880 R C 2.212 178.716 176.300 0.340 0.000 1.134 880 R CA 1.225 57.606 56.100 0.469 0.000 0.975 880 R CB -0.161 30.384 30.300 0.409 0.000 0.865 880 R HN 0.161 nan 8.270 nan 0.000 0.447 881 A N 1.162 124.044 122.820 0.104 0.000 1.845 881 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 881 A C 2.167 179.772 177.584 0.035 0.000 1.195 881 A CA 1.349 53.388 52.037 0.003 0.000 0.616 881 A CB -0.690 18.278 19.000 -0.053 0.000 0.832 881 A HN 0.345 nan 8.150 nan 0.000 0.443 882 L N -1.793 119.403 121.223 -0.046 0.000 2.129 882 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 882 L C 2.348 179.338 176.870 0.199 0.000 1.087 882 L CA 1.318 56.160 54.840 0.004 0.000 0.757 882 L CB -0.639 41.385 42.059 -0.060 0.000 0.896 882 L HN 0.420 nan 8.230 nan 0.000 0.434 883 F N -1.183 118.871 119.950 0.172 0.000 2.699 883 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 883 F C 1.578 177.395 175.800 0.028 0.000 1.154 883 F CA 0.572 58.534 58.000 -0.064 0.000 1.457 883 F CB -0.080 38.769 39.000 -0.252 0.000 1.106 883 F HN 0.199 nan 8.300 nan 0.000 0.585 884 H N -1.445 117.846 119.070 0.369 0.000 3.078 884 H HA 0.137 4.692 4.556 -0.000 0.000 0.263 884 H C 1.776 177.194 175.328 0.150 0.000 1.177 884 H CA -0.023 56.172 56.048 0.246 0.000 1.128 884 H CB -0.058 29.752 29.762 0.080 0.000 1.623 884 H HN 0.212 nan 8.280 nan 0.000 0.592 885 M N 0.051 119.793 119.600 0.237 0.000 2.632 885 M HA -0.023 4.456 4.480 -0.000 0.000 0.256 885 M C 0.582 176.965 176.300 0.137 0.000 1.080 885 M CA 1.425 56.836 55.300 0.185 0.000 1.084 885 M CB 0.187 32.933 32.600 0.244 0.000 1.439 885 M HN 0.084 nan 8.290 nan 0.000 0.509 886 D N -0.805 119.654 120.400 0.099 0.000 2.389 886 D HA 0.000 4.640 4.640 -0.000 0.000 0.206 886 D C 0.765 177.110 176.300 0.075 0.000 1.055 886 D CA 0.196 54.261 54.000 0.108 0.000 0.856 886 D CB -0.372 40.505 40.800 0.128 0.000 0.957 886 D HN 0.485 nan 8.370 nan 0.000 0.509 887 N N 0.253 118.984 118.700 0.052 0.000 1.194 887 N HA -0.306 4.434 4.740 -0.000 0.000 0.131 887 N C -0.203 175.243 175.510 -0.106 0.000 0.688 887 N CA 2.532 55.542 53.050 -0.067 0.000 0.927 887 N CB -1.290 37.065 38.487 -0.221 0.000 1.224 887 N HN 0.318 nan 8.380 nan 0.000 0.529 888 C N 0.122 119.091 119.300 -0.551 0.000 2.563 888 C HA 0.437 4.897 4.460 -0.000 0.000 0.307 888 C C -0.733 173.827 174.990 -0.717 0.000 1.371 888 C CA -0.429 58.351 59.018 -0.396 0.000 1.772 888 C CB -2.204 25.331 27.740 -0.341 0.000 2.283 888 C HN 0.328 nan 8.230 nan 0.000 0.570 889 Y N 0.191 120.282 120.300 -0.349 0.000 2.409 889 Y HA 0.386 4.936 4.550 -0.000 0.000 0.343 889 Y C 0.182 175.477 175.900 -1.007 0.000 0.973 889 Y CA -1.051 56.691 58.100 -0.597 0.000 1.064 889 Y CB 0.990 39.303 38.460 -0.244 0.000 1.207 889 Y HN -0.061 nan 8.280 nan 0.000 0.452 890 K N 3.943 123.864 120.400 -0.799 0.000 2.316 890 K HA 0.476 4.796 4.320 -0.000 0.000 0.289 890 K C -1.340 175.110 176.600 -0.249 0.000 1.070 890 K CA 0.046 55.966 56.287 -0.611 0.000 0.928 890 K CB 0.116 32.382 32.500 -0.391 0.000 1.039 890 K HN 0.716 nan 8.250 nan 0.000 0.480 891 I N 7.963 128.440 120.570 -0.155 0.000 2.495 891 I HA 0.195 4.365 4.170 -0.000 0.000 0.277 891 I C -1.816 174.254 176.117 -0.079 0.000 1.045 891 I CA -2.389 58.849 61.300 -0.104 0.000 1.135 891 I CB 1.758 39.712 38.000 -0.076 0.000 1.241 891 I HN 0.585 nan 8.210 nan 0.000 0.469 892 P HA -0.143 nan 4.420 nan 0.000 0.216 892 P C -0.231 177.024 177.300 -0.075 0.000 1.157 892 P CA 1.507 64.563 63.100 -0.074 0.000 0.880 892 P CB 0.145 31.793 31.700 -0.087 0.000 0.791 893 N N -0.126 118.500 118.700 -0.124 0.000 2.443 893 N HA 0.427 5.167 4.740 -0.000 0.000 0.269 893 N C -0.694 174.725 175.510 -0.152 0.000 0.985 893 N CA -0.305 52.660 53.050 -0.140 0.000 0.921 893 N CB 2.069 40.428 38.487 -0.214 0.000 1.195 893 N HN 0.050 nan 8.380 nan 0.000 0.492 894 I N 0.756 121.285 120.570 -0.068 0.000 2.913 894 I HA 0.474 4.644 4.170 -0.000 0.000 0.302 894 I C -1.469 174.665 176.117 0.029 0.000 1.246 894 I CA -0.761 60.516 61.300 -0.039 0.000 1.010 894 I CB 2.754 40.741 38.000 -0.022 0.000 1.259 894 I HN 0.371 nan 8.210 nan 0.000 0.434 895 R N 4.437 124.967 120.500 0.050 0.000 2.523 895 R HA 0.587 4.927 4.340 -0.000 0.000 0.278 895 R C -1.867 174.499 176.300 0.111 0.000 1.150 895 R CA -0.532 55.623 56.100 0.090 0.000 0.987 895 R CB 1.915 32.263 30.300 0.081 0.000 1.232 895 R HN 0.823 nan 8.270 nan 0.000 0.424 896 G N 1.668 110.556 108.800 0.147 0.000 2.617 896 G HA2 0.552 4.512 3.960 -0.000 0.000 0.306 896 G HA3 0.552 4.512 3.960 -0.000 0.000 0.306 896 G C -0.815 174.182 174.900 0.161 0.000 1.360 896 G CA -0.427 44.789 45.100 0.194 0.000 0.983 896 G HN 0.573 nan 8.290 nan 0.000 0.496 897 T N -1.256 113.386 114.554 0.146 0.000 2.906 897 T HA 0.865 5.215 4.350 -0.000 0.000 0.295 897 T C -0.047 174.666 174.700 0.022 0.000 1.075 897 T CA -0.472 61.651 62.100 0.039 0.000 1.005 897 T CB 2.289 71.136 68.868 -0.035 0.000 1.136 897 T HN 1.381 nan 8.240 nan 0.000 0.498 898 G N 1.088 109.820 108.800 -0.113 0.000 2.667 898 G HA2 0.680 4.640 3.960 -0.000 0.000 0.298 898 G HA3 0.680 4.640 3.960 -0.000 0.000 0.298 898 G C -1.507 173.248 174.900 -0.242 0.000 1.377 898 G CA -0.931 44.059 45.100 -0.183 0.000 0.964 898 G HN 0.657 nan 8.290 nan 0.000 0.493 899 R N 0.054 120.400 120.500 -0.256 0.000 2.808 899 R HA 0.553 4.893 4.340 -0.000 0.000 0.272 899 R C -1.035 175.304 176.300 0.064 0.000 0.995 899 R CA -1.017 55.043 56.100 -0.066 0.000 0.917 899 R CB 1.886 32.216 30.300 0.049 0.000 1.217 899 R HN 0.447 nan 8.270 nan 0.000 0.471 900 L N 1.317 122.669 121.223 0.214 0.000 2.298 900 L HA 0.463 4.803 4.340 -0.000 0.000 0.284 900 L C -0.346 176.651 176.870 0.211 0.000 1.013 900 L CA -0.866 54.105 54.840 0.218 0.000 0.824 900 L CB 1.685 43.926 42.059 0.303 0.000 1.221 900 L HN 0.428 nan 8.230 nan 0.000 0.418 901 C N 3.082 122.434 119.300 0.086 0.000 2.442 901 C HA 0.103 4.563 4.460 -0.000 0.000 0.362 901 C C 0.929 175.793 174.990 -0.210 0.000 1.242 901 C CA -0.724 58.210 59.018 -0.141 0.000 1.741 901 C CB -0.280 27.390 27.740 -0.117 0.000 2.378 901 C HN 0.659 nan 8.230 nan 0.000 0.549 902 K N 3.853 123.943 120.400 -0.516 0.000 2.278 902 K HA 0.255 4.575 4.320 -0.000 0.000 0.289 902 K C 0.525 176.928 176.600 -0.328 0.000 1.080 902 K CA 0.244 56.094 56.287 -0.728 0.000 0.934 902 K CB 0.238 32.026 32.500 -1.185 0.000 1.093 902 K HN 0.893 nan 8.250 nan 0.000 0.459 903 T N 0.491 114.952 114.554 -0.155 0.000 2.927 903 T HA 0.305 4.655 4.350 -0.000 0.000 0.286 903 T C 0.026 174.681 174.700 -0.076 0.000 1.040 903 T CA -1.030 61.001 62.100 -0.115 0.000 1.010 903 T CB 1.009 69.817 68.868 -0.101 0.000 1.177 903 T HN 0.465 nan 8.240 nan 0.000 0.546 904 N N 0.391 119.049 118.700 -0.071 0.000 3.209 904 N HA 0.480 5.219 4.740 -0.000 0.000 0.309 904 N C -1.009 174.482 175.510 -0.031 0.000 1.384 904 N CA -0.200 52.816 53.050 -0.058 0.000 1.173 904 N CB -0.337 38.131 38.487 -0.032 0.000 1.460 904 N HN 0.425 nan 8.380 nan 0.000 0.534 905 L N -0.658 120.545 121.223 -0.034 0.000 2.333 905 L HA 0.506 4.846 4.340 -0.000 0.000 0.263 905 L C 0.089 176.964 176.870 0.009 0.000 1.014 905 L CA -1.149 53.682 54.840 -0.015 0.000 0.820 905 L CB 1.731 43.741 42.059 -0.082 0.000 1.352 905 L HN 0.026 nan 8.230 nan 0.000 0.421 906 S N 0.678 116.407 115.700 0.049 0.000 2.563 906 S HA -0.034 4.436 4.470 -0.000 0.000 0.294 906 S C 0.269 174.890 174.600 0.035 0.000 1.279 906 S CA -0.097 58.131 58.200 0.048 0.000 1.069 906 S CB 0.681 63.933 63.200 0.086 0.000 0.828 906 S HN 0.586 nan 8.310 nan 0.000 0.497 907 S N 3.386 119.104 115.700 0.029 0.000 2.575 907 S HA -0.002 4.468 4.470 -0.000 0.000 0.295 907 S C 0.285 174.909 174.600 0.041 0.000 1.267 907 S CA -0.467 57.758 58.200 0.043 0.000 1.074 907 S CB -0.242 62.992 63.200 0.056 0.000 0.829 907 S HN 0.617 nan 8.310 nan 0.000 0.497 908 N N 2.904 121.577 118.700 -0.045 0.000 2.483 908 N HA 0.384 5.124 4.740 -0.000 0.000 0.269 908 N C 0.298 175.854 175.510 0.076 0.000 1.209 908 N CA -0.166 52.809 53.050 -0.125 0.000 0.969 908 N CB 1.553 39.695 38.487 -0.576 0.000 1.173 908 N HN 0.717 nan 8.380 nan 0.000 0.475 909 T N -1.239 113.466 114.554 0.251 0.000 2.565 909 T HA 0.682 5.032 4.350 -0.000 0.000 0.266 909 T C -1.003 173.993 174.700 0.494 0.000 0.905 909 T CA -0.472 61.873 62.100 0.410 0.000 1.122 909 T CB 0.393 69.463 68.868 0.336 0.000 1.437 909 T HN 0.462 nan 8.240 nan 0.000 0.506 910 A N 0.753 123.866 122.820 0.489 0.000 2.386 910 A HA 0.663 4.983 4.320 -0.000 0.000 0.248 910 A C -0.854 177.096 177.584 0.610 0.000 1.082 910 A CA -0.273 52.112 52.037 0.580 0.000 0.789 910 A CB -0.417 19.012 19.000 0.714 0.000 1.025 910 A HN 0.730 nan 8.150 nan 0.000 0.490 911 F N 1.098 121.300 119.950 0.420 0.000 2.623 911 F HA 0.400 4.927 4.527 -0.000 0.000 0.323 911 F C 0.401 176.358 175.800 0.262 0.000 1.158 911 F CA -1.030 57.177 58.000 0.346 0.000 1.030 911 F CB 1.196 40.293 39.000 0.163 0.000 1.280 911 F HN 0.772 nan 8.300 nan 0.000 0.474 912 R N 4.013 124.990 120.500 0.796 0.000 4.082 912 R HA 0.042 4.382 4.340 -0.000 0.000 0.210 912 R C 0.785 177.257 176.300 0.288 0.000 0.488 912 R CA 2.007 58.395 56.100 0.481 0.000 0.946 912 R CB -0.739 29.853 30.300 0.487 0.000 0.976 912 R HN 1.111 nan 8.270 nan 0.000 0.301 913 G N 3.505 112.435 108.800 0.216 0.000 3.033 913 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.196 913 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.196 913 G C 0.112 175.231 174.900 0.365 0.000 1.078 913 G CA -0.198 44.993 45.100 0.152 0.000 0.805 913 G HN 0.688 nan 8.290 nan 0.000 0.472 914 F N 1.227 121.276 119.950 0.165 0.000 2.797 914 F HA 0.076 4.603 4.527 -0.000 0.000 0.273 914 F C 1.783 177.620 175.800 0.062 0.000 1.020 914 F CA 2.466 60.557 58.000 0.151 0.000 0.961 914 F CB -0.976 38.128 39.000 0.173 0.000 1.020 914 F HN 2.033 nan 8.300 nan 0.000 0.840 915 G N 0.256 108.981 108.800 -0.125 0.000 2.347 915 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.247 915 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.247 915 G C 1.636 176.409 174.900 -0.213 0.000 1.037 915 G CA 0.894 45.846 45.100 -0.248 0.000 0.622 915 G HN 1.632 nan 8.290 nan 0.000 0.521 916 G N 1.794 110.545 108.800 -0.082 0.000 2.459 916 G HA2 0.028 3.988 3.960 -0.000 0.000 0.217 916 G HA3 0.028 3.988 3.960 -0.000 0.000 0.217 916 G C 0.120 174.949 174.900 -0.118 0.000 1.183 916 G CA 1.992 46.996 45.100 -0.160 0.000 0.776 916 G HN 0.558 nan 8.290 nan 0.000 0.552 917 P HA -0.115 nan 4.420 nan 0.000 0.216 917 P C 1.822 179.136 177.300 0.023 0.000 1.153 917 P CA 1.432 64.574 63.100 0.070 0.000 0.858 917 P CB 0.004 31.733 31.700 0.049 0.000 0.789 918 Q N -0.516 119.160 119.800 -0.208 0.000 1.993 918 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 918 Q C 2.355 178.277 176.000 -0.131 0.000 0.984 918 Q CA 2.118 57.734 55.803 -0.312 0.000 0.837 918 Q CB -1.488 26.562 28.738 -1.147 0.000 0.902 918 Q HN 0.131 nan 8.270 nan 0.000 0.423 919 A N 0.517 123.216 122.820 -0.201 0.000 1.892 919 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 919 A C 2.126 179.671 177.584 -0.066 0.000 1.188 919 A CA 1.613 53.638 52.037 -0.021 0.000 0.631 919 A CB -0.983 18.007 19.000 -0.017 0.000 0.822 919 A HN 0.359 nan 8.150 nan 0.000 0.447 920 L N -2.156 118.906 121.223 -0.268 0.000 2.083 920 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 920 L C 2.475 179.068 176.870 -0.462 0.000 1.083 920 L CA 1.492 55.932 54.840 -0.666 0.000 0.752 920 L CB -0.561 40.517 42.059 -1.635 0.000 0.899 920 L HN 0.499 nan 8.230 nan 0.000 0.433 921 F N 1.089 120.904 119.950 -0.225 0.000 2.075 921 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 921 F C 2.293 178.066 175.800 -0.044 0.000 1.113 921 F CA 1.425 59.474 58.000 0.081 0.000 1.218 921 F CB -0.305 38.698 39.000 0.006 0.000 0.984 921 F HN -0.124 nan 8.300 nan 0.000 0.472 922 I N 0.383 120.847 120.570 -0.177 0.000 2.264 922 I HA -0.336 3.834 4.170 -0.000 0.000 0.248 922 I C 2.681 178.464 176.117 -0.558 0.000 1.111 922 I CA 1.229 62.343 61.300 -0.309 0.000 1.382 922 I CB -1.112 36.899 38.000 0.018 0.000 1.060 922 I HN 0.250 nan 8.210 nan 0.000 0.418 923 A N 0.470 122.994 122.820 -0.494 0.000 1.883 923 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 923 A C 2.217 179.022 177.584 -1.298 0.000 1.186 923 A CA 1.603 53.084 52.037 -0.928 0.000 0.624 923 A CB -0.438 18.326 19.000 -0.394 0.000 0.822 923 A HN 0.337 nan 8.150 nan 0.000 0.444 924 E N -0.342 119.448 120.200 -0.683 0.000 2.418 924 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 924 E C 1.603 177.723 176.600 -0.801 0.000 1.026 924 E CA 0.860 56.844 56.400 -0.694 0.000 0.862 924 E CB -0.326 29.086 29.700 -0.478 0.000 0.799 924 E HN 0.725 nan 8.360 nan 0.000 0.518 925 N N 1.087 119.407 118.700 -0.632 0.000 2.132 925 N HA -0.133 4.607 4.740 -0.000 0.000 0.187 925 N C 1.914 177.234 175.510 -0.317 0.000 1.038 925 N CA 1.665 54.498 53.050 -0.361 0.000 0.846 925 N CB -0.426 37.767 38.487 -0.491 0.000 1.012 925 N HN 0.346 nan 8.380 nan 0.000 0.429 926 W N -0.305 120.755 121.300 -0.401 0.000 2.421 926 W HA -0.092 4.568 4.660 -0.000 0.000 0.270 926 W C 1.592 177.958 176.519 -0.255 0.000 1.233 926 W CA 0.304 57.475 57.345 -0.290 0.000 1.226 926 W CB -0.644 28.649 29.460 -0.278 0.000 1.121 926 W HN 0.177 nan 8.180 nan 0.000 0.579 927 M N 3.417 122.862 119.600 -0.258 0.000 2.156 927 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 927 M C 2.531 178.691 176.300 -0.233 0.000 1.067 927 M CA 2.849 58.000 55.300 -0.249 0.000 1.131 927 M CB -0.912 31.254 32.600 -0.723 0.000 1.368 927 M HN 0.037 nan 8.290 nan 0.000 0.416 928 S N -0.509 115.022 115.700 -0.282 0.000 2.399 928 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 928 S C 1.742 176.287 174.600 -0.093 0.000 1.022 928 S CA 1.477 59.567 58.200 -0.183 0.000 0.983 928 S CB -0.883 62.229 63.200 -0.148 0.000 0.803 928 S HN 0.712 nan 8.310 nan 0.000 0.480 929 E N 0.836 121.001 120.200 -0.058 0.000 2.107 929 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 929 E C 2.168 178.729 176.600 -0.065 0.000 0.982 929 E CA 1.079 57.472 56.400 -0.012 0.000 0.809 929 E CB -0.365 29.387 29.700 0.087 0.000 0.756 929 E HN 0.389 nan 8.360 nan 0.000 0.459 930 V N 1.728 121.515 119.914 -0.211 0.000 2.287 930 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 930 V C 2.397 178.345 176.094 -0.244 0.000 1.053 930 V CA 1.981 63.943 62.300 -0.563 0.000 1.027 930 V CB -0.759 30.550 31.823 -0.857 0.000 0.646 930 V HN 0.323 nan 8.190 nan 0.000 0.447 931 A N -0.453 122.279 122.820 -0.147 0.000 1.883 931 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 931 A C 2.414 180.004 177.584 0.010 0.000 1.186 931 A CA 2.254 54.261 52.037 -0.050 0.000 0.624 931 A CB -0.753 18.227 19.000 -0.035 0.000 0.822 931 A HN 0.328 nan 8.150 nan 0.000 0.444 932 V N -0.512 119.408 119.914 0.011 0.000 2.237 932 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 932 V C 2.770 178.908 176.094 0.074 0.000 1.046 932 V CA 2.584 64.910 62.300 0.044 0.000 1.007 932 V CB -1.260 30.583 31.823 0.033 0.000 0.638 932 V HN 0.615 nan 8.190 nan 0.000 0.445 933 T N -1.033 113.581 114.554 0.100 0.000 2.653 933 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 933 T C 1.835 176.640 174.700 0.174 0.000 1.035 933 T CA 2.158 64.359 62.100 0.168 0.000 1.154 933 T CB -0.510 68.545 68.868 0.312 0.000 0.862 933 T HN 0.569 nan 8.240 nan 0.000 0.441 934 C N 0.400 119.811 119.300 0.185 0.000 2.448 934 C HA 0.359 4.819 4.460 -0.000 0.000 0.280 934 C C 2.179 177.230 174.990 0.101 0.000 1.398 934 C CA 0.034 59.150 59.018 0.164 0.000 1.774 934 C CB -1.345 26.495 27.740 0.166 0.000 1.888 934 C HN 0.870 nan 8.230 nan 0.000 0.519 935 G N 0.374 109.225 108.800 0.084 0.000 2.160 935 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 935 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 935 G C -0.228 174.711 174.900 0.066 0.000 1.022 935 G CA 0.047 45.188 45.100 0.068 0.000 0.741 935 G HN 0.516 nan 8.290 nan 0.000 0.508 936 L N -0.284 120.980 121.223 0.069 0.000 2.330 936 L HA 0.577 4.917 4.340 -0.000 0.000 0.271 936 L C -1.963 174.957 176.870 0.083 0.000 1.013 936 L CA -2.652 52.231 54.840 0.073 0.000 0.816 936 L CB 1.737 43.840 42.059 0.072 0.000 1.287 936 L HN -0.156 nan 8.230 nan 0.000 0.435 937 P HA 0.029 nan 4.420 nan 0.000 0.266 937 P C -0.018 177.371 177.300 0.149 0.000 1.195 937 P CA 0.007 63.193 63.100 0.144 0.000 0.768 937 P CB 0.938 32.747 31.700 0.182 0.000 0.838 938 A N 4.085 126.999 122.820 0.157 0.000 1.877 938 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 938 A C 1.930 179.627 177.584 0.188 0.000 1.186 938 A CA 1.542 53.656 52.037 0.127 0.000 0.620 938 A CB -1.034 18.031 19.000 0.109 0.000 0.822 938 A HN 0.680 nan 8.150 nan 0.000 0.443 939 E N 0.553 120.923 120.200 0.283 0.000 2.118 939 E HA -0.291 4.059 4.350 -0.000 0.000 0.195 939 E C 1.765 178.614 176.600 0.416 0.000 0.992 939 E CA 1.675 58.334 56.400 0.431 0.000 0.804 939 E CB -0.650 29.241 29.700 0.319 0.000 0.741 939 E HN 0.796 nan 8.360 nan 0.000 0.458 940 E N 0.859 121.245 120.200 0.310 0.000 2.047 940 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 940 E C 2.332 179.046 176.600 0.189 0.000 0.987 940 E CA 1.457 58.017 56.400 0.266 0.000 0.799 940 E CB 0.165 29.985 29.700 0.201 0.000 0.752 940 E HN 0.177 nan 8.360 nan 0.000 0.449 941 V N 1.248 121.225 119.914 0.106 0.000 2.287 941 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 941 V C 2.499 178.550 176.094 -0.071 0.000 1.053 941 V CA 2.171 64.473 62.300 0.004 0.000 1.027 941 V CB -0.625 31.170 31.823 -0.047 0.000 0.646 941 V HN 0.252 nan 8.190 nan 0.000 0.447 942 R N -0.960 119.504 120.500 -0.060 0.000 2.070 942 R HA -0.199 4.141 4.340 -0.000 0.000 0.233 942 R C 2.295 178.518 176.300 -0.129 0.000 1.137 942 R CA 2.050 58.052 56.100 -0.163 0.000 0.945 942 R CB -0.541 29.731 30.300 -0.047 0.000 0.845 942 R HN 0.749 nan 8.270 nan 0.000 0.430 943 W N 3.682 124.819 121.300 -0.272 0.000 2.321 943 W HA -0.276 4.384 4.660 -0.000 0.000 0.306 943 W C 1.479 177.900 176.519 -0.164 0.000 1.217 943 W CA 2.025 59.169 57.345 -0.335 0.000 1.257 943 W CB -0.067 29.293 29.460 -0.167 0.000 1.145 943 W HN 0.100 nan 8.180 nan 0.000 0.509 944 K N -0.166 120.148 120.400 -0.143 0.000 2.283 944 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 944 K C 1.394 177.833 176.600 -0.269 0.000 1.048 944 K CA 1.522 57.670 56.287 -0.231 0.000 0.948 944 K CB -0.690 31.804 32.500 -0.010 0.000 0.742 944 K HN 0.016 nan 8.250 nan 0.000 0.458 945 N N 0.369 118.930 118.700 -0.231 0.000 2.353 945 N HA 0.081 4.821 4.740 -0.000 0.000 0.185 945 N C 0.106 175.528 175.510 -0.147 0.000 1.098 945 N CA 0.149 53.079 53.050 -0.200 0.000 0.872 945 N CB 0.168 38.495 38.487 -0.268 0.000 0.970 945 N HN 0.273 nan 8.380 nan 0.000 0.467 946 M N 0.759 120.224 119.600 -0.224 0.000 2.245 946 M HA 0.013 4.493 4.480 -0.000 0.000 0.344 946 M C 0.039 176.164 176.300 -0.291 0.000 1.170 946 M CA 0.009 55.177 55.300 -0.220 0.000 1.135 946 M CB 0.532 32.911 32.600 -0.367 0.000 1.574 946 M HN 0.055 nan 8.290 nan 0.000 0.452 947 Y N 2.422 122.532 120.300 -0.317 0.000 2.469 947 Y HA -0.014 4.536 4.550 -0.000 0.000 0.353 947 Y C 0.472 175.993 175.900 -0.632 0.000 1.269 947 Y CA 0.536 58.285 58.100 -0.584 0.000 1.504 947 Y CB 0.476 38.310 38.460 -1.044 0.000 1.369 947 Y HN 0.470 nan 8.280 nan 0.000 0.654 948 K N 1.512 121.673 120.400 -0.398 0.000 2.422 948 K HA 0.189 4.509 4.320 -0.000 0.000 0.251 948 K C -1.274 175.135 176.600 -0.318 0.000 0.933 948 K CA -0.963 55.150 56.287 -0.290 0.000 0.798 948 K CB 1.655 34.043 32.500 -0.185 0.000 1.238 948 K HN 0.554 nan 8.250 nan 0.000 0.428 949 E N 1.538 121.657 120.200 -0.135 0.000 2.868 949 E HA -0.012 4.338 4.350 -0.000 0.000 0.246 949 E C 0.679 177.210 176.600 -0.116 0.000 0.962 949 E CA 2.359 58.716 56.400 -0.072 0.000 0.955 949 E CB -0.353 29.361 29.700 0.023 0.000 0.903 949 E HN 0.802 nan 8.360 nan 0.000 0.524 950 G N 4.121 112.830 108.800 -0.152 0.000 2.307 950 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.210 950 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.210 950 G C 0.009 174.799 174.900 -0.183 0.000 1.005 950 G CA -0.127 44.894 45.100 -0.132 0.000 0.634 950 G HN 0.622 nan 8.290 nan 0.000 0.496 951 D N 0.805 121.056 120.400 -0.248 0.000 2.370 951 D HA 0.403 5.043 4.640 -0.000 0.000 0.235 951 D C 1.012 177.121 176.300 -0.317 0.000 1.228 951 D CA 0.410 54.268 54.000 -0.236 0.000 0.884 951 D CB 0.466 41.159 40.800 -0.178 0.000 1.201 951 D HN 0.365 nan 8.370 nan 0.000 0.456 952 L N 0.670 121.753 121.223 -0.233 0.000 2.331 952 L HA 0.294 4.634 4.340 -0.000 0.000 0.275 952 L C 1.210 177.887 176.870 -0.321 0.000 1.022 952 L CA -0.812 53.858 54.840 -0.284 0.000 0.812 952 L CB 1.697 43.654 42.059 -0.169 0.000 1.257 952 L HN 0.482 nan 8.230 nan 0.000 0.435 953 T N -2.997 111.220 114.554 -0.562 0.000 2.689 953 T HA 0.022 4.372 4.350 -0.000 0.000 0.308 953 T C 1.375 175.926 174.700 -0.250 0.000 1.021 953 T CA -0.191 61.584 62.100 -0.542 0.000 0.973 953 T CB 0.336 68.377 68.868 -1.379 0.000 1.113 953 T HN 0.734 nan 8.240 nan 0.000 0.522 954 H N 0.021 119.041 119.070 -0.084 0.000 2.495 954 H HA 0.034 4.590 4.556 -0.000 0.000 0.287 954 H C 1.312 176.703 175.328 0.106 0.000 1.033 954 H CA 0.780 56.863 56.048 0.058 0.000 1.307 954 H CB -0.765 29.093 29.762 0.159 0.000 1.401 954 H HN 0.751 nan 8.280 nan 0.000 0.555 955 F N 0.848 120.592 119.950 -0.344 0.000 2.660 955 F HA 0.357 4.884 4.527 0.000 0.000 0.297 955 F C -0.263 175.536 175.800 -0.003 0.000 1.132 955 F CA -1.171 56.731 58.000 -0.164 0.000 1.372 955 F CB -0.433 38.334 39.000 -0.389 0.000 1.003 955 F HN -0.190 nan 8.300 nan 0.000 0.524 956 N N 2.676 121.253 118.700 -0.205 0.000 2.586 956 N HA -0.267 4.473 4.740 -0.000 0.000 0.282 956 N C -0.659 174.751 175.510 -0.167 0.000 1.171 956 N CA 0.950 53.911 53.050 -0.149 0.000 0.733 956 N CB -0.812 37.672 38.487 -0.005 0.000 0.910 956 N HN 0.821 nan 8.380 nan 0.000 0.548 957 Q N 0.686 120.277 119.800 -0.347 0.000 2.284 957 Q HA 0.290 4.630 4.340 -0.000 0.000 0.269 957 Q C -0.778 175.086 176.000 -0.227 0.000 1.026 957 Q CA -0.674 55.014 55.803 -0.193 0.000 0.831 957 Q CB 1.911 30.604 28.738 -0.074 0.000 1.322 957 Q HN 0.276 nan 8.270 nan 0.000 0.419 958 R N 2.530 122.959 120.500 -0.118 0.000 2.537 958 R HA 0.179 4.519 4.340 -0.000 0.000 0.280 958 R C -0.322 175.913 176.300 -0.109 0.000 1.058 958 R CA 0.250 56.270 56.100 -0.133 0.000 1.057 958 R CB 0.408 30.667 30.300 -0.068 0.000 0.973 958 R HN 0.507 nan 8.270 nan 0.000 0.438 959 L N 4.304 125.393 121.223 -0.223 0.000 2.397 959 L HA 0.196 4.536 4.340 -0.000 0.000 0.263 959 L C -0.019 176.858 176.870 0.011 0.000 1.136 959 L CA -0.053 54.691 54.840 -0.161 0.000 1.019 959 L CB 0.260 42.012 42.059 -0.512 0.000 1.352 959 L HN 0.490 nan 8.230 nan 0.000 0.420 960 E N 1.792 122.057 120.200 0.108 0.000 2.283 960 E HA 0.347 4.697 4.350 -0.000 0.000 0.278 960 E C 0.839 177.554 176.600 0.191 0.000 1.027 960 E CA -0.094 56.371 56.400 0.110 0.000 0.843 960 E CB 1.319 31.064 29.700 0.075 0.000 1.062 960 E HN 0.663 nan 8.360 nan 0.000 0.401 961 G N 3.195 112.089 108.800 0.157 0.000 2.272 961 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.280 961 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.280 961 G C -0.314 174.736 174.900 0.250 0.000 1.067 961 G CA -0.227 44.979 45.100 0.176 0.000 0.902 961 G HN 0.489 nan 8.290 nan 0.000 0.500 962 F N 2.283 122.224 119.950 -0.015 0.000 2.487 962 F HA 0.452 4.979 4.527 -0.000 0.000 0.364 962 F C 1.411 177.035 175.800 -0.292 0.000 1.126 962 F CA -0.059 57.767 58.000 -0.289 0.000 1.135 962 F CB 0.748 39.571 39.000 -0.296 0.000 1.127 962 F HN 0.245 nan 8.300 nan 0.000 0.559 963 S N 2.612 117.847 115.700 -0.775 0.000 2.554 963 S HA 0.054 4.524 4.470 -0.000 0.000 0.226 963 S C 1.536 175.857 174.600 -0.464 0.000 0.980 963 S CA 0.158 58.126 58.200 -0.386 0.000 0.939 963 S CB -0.325 62.848 63.200 -0.044 0.000 0.832 963 S HN 0.409 nan 8.310 nan 0.000 0.486 964 V N 2.776 122.078 119.914 -1.020 0.000 2.324 964 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 964 V C -0.429 175.597 176.094 -0.114 0.000 1.060 964 V CA 1.956 63.919 62.300 -0.561 0.000 1.042 964 V CB -1.898 29.447 31.823 -0.797 0.000 0.650 964 V HN 0.365 nan 8.190 nan 0.000 0.450 965 P HA -0.159 nan 4.420 nan 0.000 0.215 965 P C 1.783 179.240 177.300 0.260 0.000 1.157 965 P CA 1.595 64.858 63.100 0.272 0.000 0.874 965 P CB -0.129 31.732 31.700 0.268 0.000 0.790 966 R N -1.251 119.323 120.500 0.122 0.000 2.096 966 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 966 R C 2.316 178.675 176.300 0.098 0.000 1.127 966 R CA 1.484 57.644 56.100 0.100 0.000 0.968 966 R CB -1.294 29.041 30.300 0.058 0.000 0.861 966 R HN 0.266 nan 8.270 nan 0.000 0.440 967 C N -0.408 118.950 119.300 0.098 0.000 2.446 967 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 967 C C 2.385 177.453 174.990 0.130 0.000 1.275 967 C CA -0.073 59.004 59.018 0.099 0.000 1.727 967 C CB -1.001 26.801 27.740 0.104 0.000 2.010 967 C HN 0.662 nan 8.230 nan 0.000 0.486 968 W N 2.139 123.443 121.300 0.007 0.000 2.354 968 W HA -0.126 4.534 4.660 -0.000 0.000 0.315 968 W C 1.865 178.356 176.519 -0.048 0.000 1.206 968 W CA 1.789 59.138 57.345 0.007 0.000 1.290 968 W CB -0.508 29.023 29.460 0.119 0.000 1.152 968 W HN 0.408 nan 8.180 nan 0.000 0.489 969 D N 0.135 120.621 120.400 0.143 0.000 2.097 969 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 969 D C 1.880 178.140 176.300 -0.066 0.000 0.989 969 D CA 1.696 55.693 54.000 -0.004 0.000 0.827 969 D CB -0.603 40.221 40.800 0.040 0.000 0.966 969 D HN 0.366 nan 8.370 nan 0.000 0.456 970 E N 0.087 120.271 120.200 -0.026 0.000 2.077 970 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 970 E C 2.227 178.777 176.600 -0.084 0.000 0.989 970 E CA 0.672 57.050 56.400 -0.037 0.000 0.800 970 E CB -0.126 29.570 29.700 -0.006 0.000 0.746 970 E HN 0.207 nan 8.360 nan 0.000 0.452 971 C N 0.611 119.836 119.300 -0.125 0.000 2.432 971 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 971 C C 2.548 177.384 174.990 -0.257 0.000 1.249 971 C CA 0.581 59.492 59.018 -0.180 0.000 1.725 971 C CB -0.999 26.611 27.740 -0.216 0.000 2.028 971 C HN 0.386 nan 8.230 nan 0.000 0.477 972 L N 0.849 121.835 121.223 -0.395 0.000 2.043 972 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 972 L C 2.738 179.479 176.870 -0.215 0.000 1.075 972 L CA 2.307 56.883 54.840 -0.439 0.000 0.752 972 L CB -0.705 41.025 42.059 -0.548 0.000 0.891 972 L HN 0.454 nan 8.230 nan 0.000 0.432 973 K N -0.030 120.288 120.400 -0.137 0.000 2.001 973 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 973 K C 2.319 178.891 176.600 -0.046 0.000 1.048 973 K CA 1.716 57.968 56.287 -0.058 0.000 0.932 973 K CB -0.061 32.419 32.500 -0.034 0.000 0.715 973 K HN 0.333 nan 8.250 nan 0.000 0.437 974 S N 0.081 115.748 115.700 -0.055 0.000 2.428 974 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 974 S C 1.957 176.535 174.600 -0.037 0.000 1.014 974 S CA 1.207 59.384 58.200 -0.037 0.000 0.957 974 S CB -0.236 62.944 63.200 -0.034 0.000 0.784 974 S HN 0.437 nan 8.310 nan 0.000 0.499 975 S N 0.694 116.359 115.700 -0.058 0.000 2.496 975 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 975 S C 0.821 175.403 174.600 -0.029 0.000 0.996 975 S CA 0.421 58.594 58.200 -0.046 0.000 0.927 975 S CB -0.739 62.419 63.200 -0.069 0.000 0.774 975 S HN 0.589 nan 8.310 nan 0.000 0.524 976 Q N -1.029 118.753 119.800 -0.030 0.000 2.494 976 Q HA -0.292 4.048 4.340 -0.000 0.000 0.266 976 Q C 0.380 176.363 176.000 -0.029 0.000 1.053 976 Q CA 0.727 56.521 55.803 -0.015 0.000 1.029 976 Q CB -2.471 26.262 28.738 -0.009 0.000 1.423 976 Q HN 0.757 nan 8.270 nan 0.000 0.516 977 Y N -0.099 120.067 120.300 -0.223 0.000 1.997 977 Y HA -0.418 4.132 4.550 -0.000 0.000 0.265 977 Y C 1.698 177.462 175.900 -0.227 0.000 1.193 977 Y CA 2.804 60.723 58.100 -0.303 0.000 1.106 977 Y CB -0.697 37.439 38.460 -0.539 0.000 0.940 977 Y HN 0.398 nan 8.280 nan 0.000 0.494 978 Y N -0.709 119.555 120.300 -0.060 0.000 2.128 978 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 978 Y C 2.728 178.538 175.900 -0.149 0.000 1.154 978 Y CA 0.966 58.981 58.100 -0.140 0.000 1.149 978 Y CB -0.826 37.635 38.460 0.002 0.000 0.976 978 Y HN 0.288 nan 8.280 nan 0.000 0.505 979 A N 0.310 123.166 122.820 0.060 0.000 1.972 979 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 979 A C 2.158 179.716 177.584 -0.044 0.000 1.169 979 A CA 1.494 53.538 52.037 0.012 0.000 0.635 979 A CB -0.468 18.542 19.000 0.017 0.000 0.810 979 A HN 0.397 nan 8.150 nan 0.000 0.446 980 R N -0.757 119.685 120.500 -0.096 0.000 2.119 980 R HA -0.039 4.301 4.340 -0.000 0.000 0.222 980 R C 2.217 178.419 176.300 -0.163 0.000 1.088 980 R CA 1.242 57.271 56.100 -0.119 0.000 0.984 980 R CB -0.209 30.020 30.300 -0.118 0.000 0.884 980 R HN 0.593 nan 8.270 nan 0.000 0.447 981 K N 0.689 120.927 120.400 -0.269 0.000 2.103 981 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 981 K C 1.921 178.455 176.600 -0.110 0.000 1.048 981 K CA 1.619 57.751 56.287 -0.259 0.000 0.930 981 K CB 0.101 32.368 32.500 -0.387 0.000 0.716 981 K HN -0.027 nan 8.250 nan 0.000 0.444 982 S N 1.042 116.698 115.700 -0.073 0.000 2.343 982 S HA -0.209 4.261 4.470 -0.000 0.000 0.219 982 S C 1.709 176.300 174.600 -0.016 0.000 1.033 982 S CA 1.463 59.646 58.200 -0.029 0.000 1.014 982 S CB -0.445 62.746 63.200 -0.016 0.000 0.915 982 S HN 0.483 nan 8.310 nan 0.000 0.435 983 E N 1.268 121.455 120.200 -0.023 0.000 2.108 983 E HA -0.225 4.125 4.350 -0.000 0.000 0.203 983 E C 1.990 178.602 176.600 0.021 0.000 1.022 983 E CA 1.869 58.266 56.400 -0.005 0.000 0.823 983 E CB -0.308 29.373 29.700 -0.032 0.000 0.744 983 E HN 0.358 nan 8.360 nan 0.000 0.456 984 V N 1.912 121.818 119.914 -0.012 0.000 2.343 984 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 984 V C 2.153 178.300 176.094 0.088 0.000 1.051 984 V CA 2.234 64.543 62.300 0.015 0.000 1.036 984 V CB -0.574 31.229 31.823 -0.033 0.000 0.654 984 V HN 0.247 nan 8.190 nan 0.000 0.451 985 D N -0.296 120.130 120.400 0.044 0.000 2.183 985 D HA -0.143 4.497 4.640 -0.000 0.000 0.203 985 D C 2.160 178.489 176.300 0.048 0.000 0.969 985 D CA 1.145 55.170 54.000 0.042 0.000 0.842 985 D CB -0.068 40.741 40.800 0.015 0.000 0.957 985 D HN 0.454 nan 8.370 nan 0.000 0.484 986 K N 0.146 120.579 120.400 0.056 0.000 2.026 986 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 986 K C 2.148 178.786 176.600 0.062 0.000 1.048 986 K CA 0.796 57.110 56.287 0.046 0.000 0.929 986 K CB -0.302 32.227 32.500 0.049 0.000 0.713 986 K HN -0.005 nan 8.250 nan 0.000 0.439 987 F N 2.528 122.460 119.950 -0.030 0.000 2.069 987 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 987 F C 1.770 177.549 175.800 -0.034 0.000 1.113 987 F CA 1.890 59.872 58.000 -0.030 0.000 1.214 987 F CB -0.438 38.542 39.000 -0.034 0.000 0.978 987 F HN 0.163 nan 8.300 nan 0.000 0.474 988 N N 0.670 119.417 118.700 0.079 0.000 2.272 988 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 988 N C 1.640 177.070 175.510 -0.133 0.000 1.014 988 N CA 1.439 54.466 53.050 -0.038 0.000 0.870 988 N CB -0.319 38.190 38.487 0.037 0.000 0.975 988 N HN 0.452 nan 8.380 nan 0.000 0.433 989 K N 0.752 121.095 120.400 -0.097 0.000 2.044 989 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 989 K C 1.442 177.965 176.600 -0.128 0.000 1.049 989 K CA 0.842 57.073 56.287 -0.094 0.000 0.945 989 K CB 0.021 32.491 32.500 -0.051 0.000 0.724 989 K HN 0.242 nan 8.250 nan 0.000 0.440 990 E N 0.516 120.621 120.200 -0.159 0.000 2.502 990 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 990 E C -0.208 176.240 176.600 -0.253 0.000 1.062 990 E CA 0.112 56.414 56.400 -0.164 0.000 0.867 990 E CB 0.182 29.807 29.700 -0.125 0.000 0.888 990 E HN 0.200 nan 8.360 nan 0.000 0.510 991 N N -0.185 118.285 118.700 -0.384 0.000 2.346 991 N HA 0.084 4.824 4.740 -0.000 0.000 0.289 991 N C -0.545 174.758 175.510 -0.345 0.000 1.027 991 N CA -0.218 52.570 53.050 -0.437 0.000 0.864 991 N CB 1.965 39.927 38.487 -0.875 0.000 1.370 991 N HN 0.001 nan 8.380 nan 0.000 0.481 992 C N 2.037 121.136 119.300 -0.335 0.000 2.525 992 C HA 0.235 4.695 4.460 -0.000 0.000 0.291 992 C C 0.969 175.518 174.990 -0.735 0.000 1.351 992 C CA -0.145 58.538 59.018 -0.559 0.000 1.771 992 C CB -0.587 26.758 27.740 -0.659 0.000 2.177 992 C HN 0.861 nan 8.230 nan 0.000 0.510 993 W N 1.734 122.989 121.300 -0.076 0.000 2.966 993 W HA 0.449 5.109 4.660 0.000 0.000 0.406 993 W C 0.274 176.811 176.519 0.029 0.000 1.027 993 W CA -0.288 57.064 57.345 0.013 0.000 1.930 993 W CB 0.174 29.622 29.460 -0.019 0.000 1.144 993 W HN 0.061 nan 8.180 nan 0.000 0.626 994 K N 1.106 121.576 120.400 0.117 0.000 2.550 994 K HA 0.314 4.634 4.320 -0.000 0.000 0.252 994 K C -0.426 176.295 176.600 0.203 0.000 0.943 994 K CA -0.862 55.537 56.287 0.186 0.000 0.806 994 K CB 2.343 34.994 32.500 0.250 0.000 1.289 994 K HN -0.387 nan 8.250 nan 0.000 0.435 995 K N 2.004 122.562 120.400 0.263 0.000 2.400 995 K HA 0.550 4.870 4.320 -0.000 0.000 0.246 995 K C -0.637 176.130 176.600 0.279 0.000 0.995 995 K CA -0.869 55.591 56.287 0.289 0.000 0.840 995 K CB 2.138 34.702 32.500 0.106 0.000 1.293 995 K HN 0.510 nan 8.250 nan 0.000 0.445 996 R N -0.314 120.318 120.500 0.221 0.000 2.621 996 R HA 0.570 4.910 4.340 -0.000 0.000 0.292 996 R C -0.194 176.117 176.300 0.017 0.000 0.969 996 R CA -0.818 55.286 56.100 0.006 0.000 0.887 996 R CB 2.090 32.256 30.300 -0.222 0.000 1.180 996 R HN 0.777 nan 8.270 nan 0.000 0.450 997 G N 1.570 110.365 108.800 -0.008 0.000 2.453 997 G HA2 0.648 4.608 3.960 -0.000 0.000 0.323 997 G HA3 0.648 4.608 3.960 -0.000 0.000 0.323 997 G C -1.720 173.186 174.900 0.010 0.000 1.198 997 G CA -0.424 44.683 45.100 0.011 0.000 0.959 997 G HN 0.366 nan 8.290 nan 0.000 0.482 998 L N 0.956 122.202 121.223 0.038 0.000 2.516 998 L HA 0.684 5.024 4.340 -0.000 0.000 0.267 998 L C -0.927 176.032 176.870 0.149 0.000 0.957 998 L CA -0.516 54.360 54.840 0.061 0.000 0.860 998 L CB 1.550 43.602 42.059 -0.012 0.000 1.265 998 L HN 0.755 nan 8.230 nan 0.000 0.403 999 C N 5.377 124.780 119.300 0.170 0.000 2.994 999 C HA 0.730 5.190 4.460 -0.000 0.000 0.305 999 C C -1.134 173.920 174.990 0.106 0.000 1.251 999 C CA -0.766 58.361 59.018 0.183 0.000 1.478 999 C CB 1.408 29.264 27.740 0.193 0.000 1.922 999 C HN 0.901 nan 8.230 nan 0.000 0.472 1000 I N 6.153 126.726 120.570 0.004 0.000 2.468 1000 I HA 0.579 4.749 4.170 -0.000 0.000 0.285 1000 I C -1.283 174.855 176.117 0.035 0.000 1.039 1000 I CA -0.457 60.743 61.300 -0.166 0.000 1.074 1000 I CB 0.820 38.406 38.000 -0.690 0.000 1.228 1000 I HN 0.514 nan 8.210 nan 0.000 0.436 1001 I N 9.383 130.016 120.570 0.105 0.000 2.530 1001 I HA 0.628 4.798 4.170 -0.000 0.000 0.297 1001 I C -2.488 173.824 176.117 0.326 0.000 1.011 1001 I CA -2.271 59.168 61.300 0.231 0.000 1.107 1001 I CB 1.555 39.620 38.000 0.109 0.000 1.285 1001 I HN 0.357 nan 8.210 nan 0.000 0.436 1002 P HA 0.575 nan 4.420 nan 0.000 0.309 1002 P C -0.871 176.621 177.300 0.320 0.000 1.302 1002 P CA -0.485 62.833 63.100 0.363 0.000 0.835 1002 P CB 3.245 35.135 31.700 0.317 0.000 1.324 1003 T N -1.636 113.092 114.554 0.291 0.000 2.831 1003 T HA 0.505 4.855 4.350 -0.000 0.000 0.333 1003 T C -2.073 172.836 174.700 0.350 0.000 1.684 1003 T CA -0.706 61.600 62.100 0.343 0.000 1.049 1003 T CB 0.874 70.042 68.868 0.500 0.000 1.518 1003 T HN 0.729 nan 8.240 nan 0.000 0.491 1004 K N 2.133 122.755 120.400 0.369 0.000 2.501 1004 K HA 0.758 5.078 4.320 -0.000 0.000 0.252 1004 K C -2.034 174.831 176.600 0.442 0.000 0.934 1004 K CA -0.913 55.633 56.287 0.431 0.000 0.797 1004 K CB 1.832 34.635 32.500 0.506 0.000 1.270 1004 K HN 0.356 nan 8.250 nan 0.000 0.431 1005 F N 1.532 121.576 119.950 0.156 0.000 2.507 1005 F HA 0.530 5.057 4.527 -0.000 0.000 0.325 1005 F C 0.089 175.781 175.800 -0.180 0.000 1.116 1005 F CA -0.376 57.678 58.000 0.089 0.000 0.930 1005 F CB 2.134 41.096 39.000 -0.064 0.000 1.146 1005 F HN 0.810 nan 8.300 nan 0.000 0.447 1006 G N 6.746 114.955 108.800 -0.986 0.000 2.360 1006 G HA2 0.393 4.353 3.960 -0.000 0.000 0.279 1006 G HA3 0.393 4.353 3.960 -0.000 0.000 0.279 1006 G C -0.582 173.335 174.900 -1.639 0.000 1.189 1006 G CA -0.438 43.244 45.100 -2.363 0.000 0.941 1006 G HN 0.457 nan 8.290 nan 0.000 0.445 1007 I N 1.909 121.806 120.570 -1.122 0.000 2.312 1007 I HA 0.459 4.629 4.170 -0.000 0.000 0.291 1007 I C 0.429 176.350 176.117 -0.326 0.000 1.031 1007 I CA 0.055 60.957 61.300 -0.664 0.000 1.293 1007 I CB -0.170 37.206 38.000 -1.039 0.000 1.403 1007 I HN 0.455 nan 8.210 nan 0.000 0.484 1008 S N 4.539 120.118 115.700 -0.202 0.000 2.791 1008 S HA 0.130 4.600 4.470 -0.000 0.000 0.261 1008 S C -0.707 173.824 174.600 -0.115 0.000 0.684 1008 S CA -0.925 57.213 58.200 -0.103 0.000 1.126 1008 S CB -0.053 63.141 63.200 -0.011 0.000 1.400 1008 S HN 0.310 nan 8.310 nan 0.000 0.522 1009 F N 1.993 121.882 119.950 -0.101 0.000 2.459 1009 F HA 0.253 4.780 4.527 -0.000 0.000 0.346 1009 F C 2.257 177.981 175.800 -0.127 0.000 1.128 1009 F CA 0.724 58.649 58.000 -0.125 0.000 1.268 1009 F CB 0.874 39.783 39.000 -0.152 0.000 1.161 1009 F HN 0.776 nan 8.300 nan 0.000 0.583 1010 T N -1.472 113.147 114.554 0.109 0.000 3.118 1010 T HA 0.085 4.435 4.350 -0.000 0.000 0.260 1010 T C 0.339 175.067 174.700 0.047 0.000 1.139 1010 T CA 0.144 62.262 62.100 0.031 0.000 1.085 1010 T CB -0.482 68.500 68.868 0.190 0.000 0.934 1010 T HN 0.169 nan 8.240 nan 0.000 0.518 1011 V N 3.667 123.584 119.914 0.005 0.000 2.333 1011 V HA 0.267 4.387 4.120 -0.000 0.000 0.274 1011 V C -1.420 174.534 176.094 -0.234 0.000 1.028 1011 V CA -1.773 60.414 62.300 -0.188 0.000 0.851 1011 V CB 1.528 33.091 31.823 -0.434 0.000 1.000 1011 V HN 0.131 nan 8.190 nan 0.000 0.456 1012 P HA -0.169 nan 4.420 nan 0.000 0.216 1012 P C 1.495 178.767 177.300 -0.047 0.000 1.150 1012 P CA 1.262 64.317 63.100 -0.075 0.000 0.837 1012 P CB 0.001 31.695 31.700 -0.010 0.000 0.786 1013 F N -1.451 118.473 119.950 -0.043 0.000 2.641 1013 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 1013 F C 1.369 177.091 175.800 -0.130 0.000 1.146 1013 F CA 0.682 58.642 58.000 -0.067 0.000 1.464 1013 F CB -1.727 37.247 39.000 -0.043 0.000 1.101 1013 F HN -0.165 nan 8.300 nan 0.000 0.585 1014 L N 0.502 121.618 121.223 -0.178 0.000 2.558 1014 L HA 0.073 4.413 4.340 -0.000 0.000 0.225 1014 L C 0.735 177.410 176.870 -0.325 0.000 1.128 1014 L CA 0.176 54.800 54.840 -0.360 0.000 0.868 1014 L CB -0.615 40.866 42.059 -0.964 0.000 1.006 1014 L HN 0.112 nan 8.230 nan 0.000 0.454 1015 N N 2.641 121.263 118.700 -0.130 0.000 3.243 1015 N HA 0.047 4.787 4.740 -0.000 0.000 0.310 1015 N C -0.394 174.997 175.510 -0.198 0.000 1.313 1015 N CA 0.154 53.164 53.050 -0.066 0.000 1.204 1015 N CB 0.256 38.722 38.487 -0.036 0.000 1.483 1015 N HN 0.532 nan 8.380 nan 0.000 0.553 1016 Q N -0.889 118.772 119.800 -0.232 0.000 2.389 1016 Q HA 0.815 5.155 4.340 -0.000 0.000 0.277 1016 Q C -1.779 173.954 176.000 -0.446 0.000 1.082 1016 Q CA -1.249 54.310 55.803 -0.406 0.000 0.810 1016 Q CB 2.391 31.004 28.738 -0.209 0.000 1.374 1016 Q HN 0.058 nan 8.270 nan 0.000 0.422 1017 A N 0.909 123.320 122.820 -0.681 0.000 2.488 1017 A HA 0.873 5.193 4.320 -0.000 0.000 0.298 1017 A C -0.766 176.649 177.584 -0.282 0.000 1.044 1017 A CA -0.156 51.568 52.037 -0.523 0.000 0.693 1017 A CB 1.893 20.313 19.000 -0.966 0.000 1.272 1017 A HN 0.899 nan 8.150 nan 0.000 0.402 1018 G N -0.318 108.564 108.800 0.138 0.000 2.489 1018 G HA2 0.895 4.855 3.960 -0.000 0.000 0.327 1018 G HA3 0.895 4.855 3.960 -0.000 0.000 0.327 1018 G C -0.496 174.584 174.900 0.301 0.000 1.189 1018 G CA -0.149 45.127 45.100 0.293 0.000 0.962 1018 G HN 2.007 nan 8.290 nan 0.000 0.486 1019 A N -0.197 122.762 122.820 0.232 0.000 2.547 1019 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 1019 A C -1.874 175.763 177.584 0.087 0.000 1.056 1019 A CA -0.499 51.648 52.037 0.183 0.000 0.688 1019 A CB 1.971 21.086 19.000 0.192 0.000 1.282 1019 A HN 1.327 nan 8.150 nan 0.000 0.400 1020 L N 2.509 123.734 121.223 0.002 0.000 2.356 1020 L HA 0.813 5.153 4.340 -0.000 0.000 0.277 1020 L C -1.314 175.426 176.870 -0.217 0.000 0.996 1020 L CA -0.290 54.485 54.840 -0.108 0.000 0.822 1020 L CB 1.167 43.132 42.059 -0.156 0.000 1.256 1020 L HN 0.603 nan 8.230 nan 0.000 0.413 1021 I N 4.766 125.211 120.570 -0.208 0.000 2.466 1021 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 1021 I C -0.984 175.037 176.117 -0.161 0.000 1.026 1021 I CA -0.749 60.443 61.300 -0.181 0.000 1.078 1021 I CB 1.593 39.574 38.000 -0.032 0.000 1.249 1021 I HN 0.531 nan 8.210 nan 0.000 0.429 1022 H N 5.112 124.123 119.070 -0.098 0.000 2.524 1022 H HA 0.566 5.122 4.556 -0.000 0.000 0.353 1022 H C -0.859 174.298 175.328 -0.286 0.000 1.136 1022 H CA -0.822 55.077 56.048 -0.248 0.000 1.193 1022 H CB 2.537 32.032 29.762 -0.446 0.000 1.558 1022 H HN 0.164 nan 8.280 nan 0.000 0.515 1023 V N 4.118 123.943 119.914 -0.149 0.000 2.378 1023 V HA 0.225 4.345 4.120 -0.000 0.000 0.288 1023 V C -0.367 175.587 176.094 -0.234 0.000 1.016 1023 V CA -0.898 61.351 62.300 -0.085 0.000 0.840 1023 V CB 0.356 32.205 31.823 0.044 0.000 0.994 1023 V HN 0.596 nan 8.190 nan 0.000 0.431 1024 Y N 1.849 122.172 120.300 0.038 0.000 2.298 1024 Y HA 0.196 4.746 4.550 -0.000 0.000 0.329 1024 Y C 2.206 178.044 175.900 -0.103 0.000 1.293 1024 Y CA 0.276 58.344 58.100 -0.052 0.000 1.388 1024 Y CB 1.048 39.487 38.460 -0.035 0.000 1.309 1024 Y HN 0.788 nan 8.280 nan 0.000 0.544 1025 T N -3.197 111.346 114.554 -0.018 0.000 2.996 1025 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 1025 T C 0.841 175.506 174.700 -0.058 0.000 1.126 1025 T CA 1.394 63.416 62.100 -0.131 0.000 1.103 1025 T CB -0.343 68.353 68.868 -0.287 0.000 0.870 1025 T HN 0.771 nan 8.240 nan 0.000 0.528 1026 D N 0.356 120.763 120.400 0.011 0.000 2.339 1026 D HA 0.217 4.857 4.640 -0.000 0.000 0.217 1026 D C 1.691 178.031 176.300 0.065 0.000 1.050 1026 D CA 0.600 54.612 54.000 0.020 0.000 0.856 1026 D CB -0.505 40.307 40.800 0.020 0.000 0.922 1026 D HN 0.568 nan 8.370 nan 0.000 0.518 1027 G N 0.676 109.527 108.800 0.085 0.000 2.234 1027 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.235 1027 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.235 1027 G C 0.403 175.553 174.900 0.416 0.000 0.997 1027 G CA 0.335 45.558 45.100 0.205 0.000 0.623 1027 G HN 0.829 nan 8.290 nan 0.000 0.514 1028 S N 0.145 116.011 115.700 0.278 0.000 2.549 1028 S HA 0.597 5.067 4.470 -0.000 0.000 0.283 1028 S C 0.276 175.064 174.600 0.312 0.000 1.320 1028 S CA 0.061 58.421 58.200 0.267 0.000 1.058 1028 S CB 2.080 65.397 63.200 0.195 0.000 0.882 1028 S HN 1.122 nan 8.310 nan 0.000 0.498 1029 V N 3.821 123.893 119.914 0.264 0.000 2.612 1029 V HA 0.600 4.720 4.120 -0.000 0.000 0.301 1029 V C -0.242 175.980 176.094 0.213 0.000 1.046 1029 V CA -0.914 61.516 62.300 0.215 0.000 0.946 1029 V CB 1.347 33.277 31.823 0.177 0.000 1.003 1029 V HN 0.901 nan 8.190 nan 0.000 0.459 1030 L N 5.393 126.715 121.223 0.165 0.000 2.372 1030 L HA 0.685 5.025 4.340 -0.000 0.000 0.273 1030 L C -0.668 176.213 176.870 0.019 0.000 0.989 1030 L CA 0.037 54.978 54.840 0.168 0.000 0.841 1030 L CB 1.632 43.880 42.059 0.314 0.000 1.225 1030 L HN 0.442 nan 8.230 nan 0.000 0.414 1031 V N 3.160 123.063 119.914 -0.018 0.000 2.532 1031 V HA 0.753 4.873 4.120 -0.000 0.000 0.295 1031 V C 0.099 176.106 176.094 -0.145 0.000 1.041 1031 V CA -0.461 61.801 62.300 -0.062 0.000 0.926 1031 V CB 1.540 33.363 31.823 -0.001 0.000 0.992 1031 V HN 0.811 nan 8.190 nan 0.000 0.457 1032 S N 2.312 117.925 115.700 -0.145 0.000 2.677 1032 S HA 0.698 5.168 4.470 -0.000 0.000 0.283 1032 S C -0.978 173.556 174.600 -0.110 0.000 1.159 1032 S CA -0.652 57.416 58.200 -0.220 0.000 1.001 1032 S CB 0.653 63.747 63.200 -0.177 0.000 1.032 1032 S HN 1.095 nan 8.310 nan 0.000 0.487 1033 H N 0.928 119.971 119.070 -0.046 0.000 2.864 1033 H HA 0.718 5.274 4.556 -0.000 0.000 0.354 1033 H C 1.132 176.406 175.328 -0.090 0.000 1.208 1033 H CA -0.475 55.578 56.048 0.009 0.000 1.191 1033 H CB 0.515 30.311 29.762 0.056 0.000 1.889 1033 H HN 0.501 nan 8.280 nan 0.000 0.574 1034 G N -0.529 108.367 108.800 0.160 0.000 2.744 1034 G HA2 0.165 4.125 3.960 -0.000 0.000 0.211 1034 G HA3 0.165 4.125 3.960 -0.000 0.000 0.211 1034 G C 0.658 175.356 174.900 -0.337 0.000 1.143 1034 G CA 0.164 45.283 45.100 0.032 0.000 0.788 1034 G HN 0.879 nan 8.290 nan 0.000 0.534 1035 G N 0.107 108.455 108.800 -0.754 0.000 2.444 1035 G HA2 0.461 4.421 3.960 -0.000 0.000 0.268 1035 G HA3 0.461 4.421 3.960 -0.000 0.000 0.268 1035 G C 0.110 174.935 174.900 -0.125 0.000 1.203 1035 G CA 0.323 45.048 45.100 -0.624 0.000 0.835 1035 G HN 0.337 nan 8.290 nan 0.000 0.543 1036 T N -1.217 113.246 114.554 -0.152 0.000 2.940 1036 T HA 0.603 4.953 4.350 -0.000 0.000 0.288 1036 T C -0.412 174.143 174.700 -0.241 0.000 1.033 1036 T CA -0.821 61.206 62.100 -0.122 0.000 1.033 1036 T CB 2.311 71.119 68.868 -0.099 0.000 1.079 1036 T HN 0.496 nan 8.240 nan 0.000 0.496 1037 E N 1.507 121.557 120.200 -0.249 0.000 2.191 1037 E HA 0.510 4.860 4.350 -0.000 0.000 0.278 1037 E C 0.267 176.790 176.600 -0.128 0.000 0.972 1037 E CA -0.756 55.479 56.400 -0.275 0.000 0.804 1037 E CB 1.058 30.608 29.700 -0.250 0.000 1.110 1037 E HN 0.806 nan 8.360 nan 0.000 0.394 1038 M N 2.133 121.658 119.600 -0.125 0.000 2.314 1038 M HA 0.493 4.973 4.480 -0.000 0.000 0.383 1038 M C 0.762 176.995 176.300 -0.112 0.000 0.984 1038 M CA 0.112 55.327 55.300 -0.142 0.000 0.982 1038 M CB 1.038 33.488 32.600 -0.251 0.000 1.745 1038 M HN 0.621 nan 8.290 nan 0.000 0.600 1039 G N 1.778 110.571 108.800 -0.011 0.000 2.229 1039 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.189 1039 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.189 1039 G C 0.870 175.816 174.900 0.076 0.000 1.000 1039 G CA 0.356 45.468 45.100 0.020 0.000 0.663 1039 G HN 0.578 nan 8.290 nan 0.000 0.493 1040 Q N 1.411 121.224 119.800 0.022 0.000 2.378 1040 Q HA 0.294 4.634 4.340 -0.000 0.000 0.205 1040 Q C 1.632 177.650 176.000 0.030 0.000 0.954 1040 Q CA 1.688 57.498 55.803 0.011 0.000 0.901 1040 Q CB -0.283 28.426 28.738 -0.047 0.000 0.981 1040 Q HN 1.913 nan 8.270 nan 0.000 0.483 1041 G N 1.611 110.435 108.800 0.039 0.000 2.165 1041 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 1041 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 1041 G C 0.290 175.087 174.900 -0.171 0.000 1.035 1041 G CA 0.313 45.334 45.100 -0.132 0.000 0.744 1041 G HN 0.362 nan 8.290 nan 0.000 0.501 1042 L N 0.316 121.423 121.223 -0.192 0.000 1.994 1042 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 1042 L C 2.559 179.357 176.870 -0.121 0.000 1.071 1042 L CA 2.857 57.578 54.840 -0.198 0.000 0.745 1042 L CB -0.555 41.332 42.059 -0.287 0.000 0.892 1042 L HN 0.415 nan 8.230 nan 0.000 0.431 1043 H N -1.112 117.926 119.070 -0.053 0.000 2.456 1043 H HA -0.061 4.495 4.556 -0.000 0.000 0.296 1043 H C 2.098 177.370 175.328 -0.094 0.000 1.079 1043 H CA 1.661 57.694 56.048 -0.025 0.000 1.322 1043 H CB -0.820 28.892 29.762 -0.083 0.000 1.388 1043 H HN 0.384 nan 8.280 nan 0.000 0.538 1044 T N 0.974 115.480 114.554 -0.079 0.000 2.701 1044 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 1044 T C 2.030 176.705 174.700 -0.041 0.000 1.040 1044 T CA 1.062 63.100 62.100 -0.102 0.000 1.147 1044 T CB 0.092 68.836 68.868 -0.207 0.000 0.865 1044 T HN 0.336 nan 8.240 nan 0.000 0.426 1045 K N 0.664 121.035 120.400 -0.049 0.000 2.063 1045 K HA -0.032 4.288 4.320 -0.000 0.000 0.208 1045 K C 2.361 178.969 176.600 0.014 0.000 1.048 1045 K CA 1.163 57.438 56.287 -0.020 0.000 0.928 1045 K CB -0.184 32.298 32.500 -0.030 0.000 0.713 1045 K HN 0.240 nan 8.250 nan 0.000 0.442 1046 M N 0.410 120.025 119.600 0.024 0.000 2.213 1046 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 1046 M C 2.263 178.606 176.300 0.072 0.000 1.062 1046 M CA 1.211 56.545 55.300 0.057 0.000 1.105 1046 M CB -0.660 31.999 32.600 0.097 0.000 1.385 1046 M HN -0.043 nan 8.290 nan 0.000 0.417 1047 V N 0.276 120.222 119.914 0.052 0.000 2.358 1047 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 1047 V C 2.397 178.507 176.094 0.026 0.000 1.047 1047 V CA 1.532 63.853 62.300 0.034 0.000 1.035 1047 V CB -0.673 31.161 31.823 0.019 0.000 0.658 1047 V HN 0.501 nan 8.190 nan 0.000 0.452 1048 Q N -0.603 119.208 119.800 0.018 0.000 2.096 1048 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 1048 Q C 2.316 178.329 176.000 0.022 0.000 0.982 1048 Q CA 1.938 57.743 55.803 0.002 0.000 0.850 1048 Q CB -0.289 28.442 28.738 -0.011 0.000 0.901 1048 Q HN 0.552 nan 8.270 nan 0.000 0.422 1049 V N 0.661 120.629 119.914 0.090 0.000 2.307 1049 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 1049 V C 2.236 178.448 176.094 0.198 0.000 1.045 1049 V CA 1.809 64.245 62.300 0.227 0.000 1.024 1049 V CB -0.958 31.017 31.823 0.254 0.000 0.651 1049 V HN 0.399 nan 8.190 nan 0.000 0.449 1050 A N -0.421 122.466 122.820 0.112 0.000 1.933 1050 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 1050 A C 2.558 180.147 177.584 0.007 0.000 1.175 1050 A CA 2.150 54.225 52.037 0.063 0.000 0.628 1050 A CB -0.732 18.294 19.000 0.044 0.000 0.814 1050 A HN 0.518 nan 8.150 nan 0.000 0.444 1051 S N -0.677 115.017 115.700 -0.010 0.000 2.402 1051 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 1051 S C 2.037 176.604 174.600 -0.055 0.000 1.021 1051 S CA 1.812 59.976 58.200 -0.060 0.000 0.974 1051 S CB -0.258 62.910 63.200 -0.052 0.000 0.800 1051 S HN 0.629 nan 8.310 nan 0.000 0.484 1052 K N 0.267 120.655 120.400 -0.020 0.000 2.067 1052 K HA 0.168 4.488 4.320 -0.000 0.000 0.203 1052 K C 2.308 178.943 176.600 0.059 0.000 1.048 1052 K CA 0.864 57.133 56.287 -0.029 0.000 0.954 1052 K CB -0.534 31.870 32.500 -0.160 0.000 0.737 1052 K HN 0.358 nan 8.250 nan 0.000 0.444 1053 A N 1.606 124.510 122.820 0.140 0.000 1.865 1053 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 1053 A C 2.057 179.643 177.584 0.004 0.000 1.191 1053 A CA 1.494 53.597 52.037 0.109 0.000 0.623 1053 A CB -0.736 18.300 19.000 0.059 0.000 0.826 1053 A HN 0.337 nan 8.150 nan 0.000 0.444 1054 L N -1.880 119.318 121.223 -0.042 0.000 2.418 1054 L HA 0.006 4.346 4.340 -0.000 0.000 0.218 1054 L C 0.225 177.019 176.870 -0.126 0.000 1.125 1054 L CA 0.671 55.451 54.840 -0.100 0.000 0.835 1054 L CB -0.263 41.653 42.059 -0.239 0.000 0.953 1054 L HN 0.404 nan 8.230 nan 0.000 0.454 1055 K N 1.222 121.565 120.400 -0.095 0.000 3.181 1055 K HA -0.163 4.157 4.320 -0.000 0.000 0.269 1055 K C -0.469 176.047 176.600 -0.140 0.000 1.097 1055 K CA 0.549 56.796 56.287 -0.067 0.000 0.783 1055 K CB -1.901 30.608 32.500 0.015 0.000 1.267 1055 K HN 0.510 nan 8.250 nan 0.000 0.484 1056 I N -4.694 115.732 120.570 -0.241 0.000 2.969 1056 I HA 0.645 4.815 4.170 -0.000 0.000 0.307 1056 I C -2.750 173.247 176.117 -0.199 0.000 1.149 1056 I CA -3.278 57.832 61.300 -0.316 0.000 1.008 1056 I CB 2.381 39.958 38.000 -0.706 0.000 1.232 1056 I HN -0.292 nan 8.210 nan 0.000 0.435 1057 P HA 0.185 nan 4.420 nan 0.000 0.270 1057 P C 1.028 178.280 177.300 -0.080 0.000 1.223 1057 P CA -0.244 62.804 63.100 -0.086 0.000 0.785 1057 P CB 0.558 32.224 31.700 -0.058 0.000 0.923 1058 I N -0.397 120.147 120.570 -0.043 0.000 2.493 1058 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 1058 I C 1.722 177.841 176.117 0.004 0.000 1.160 1058 I CA 1.676 62.964 61.300 -0.019 0.000 1.445 1058 I CB -1.107 36.892 38.000 -0.001 0.000 1.086 1058 I HN 0.243 nan 8.210 nan 0.000 0.433 1059 S N 1.865 117.566 115.700 0.002 0.000 2.420 1059 S HA -0.188 4.282 4.470 -0.000 0.000 0.237 1059 S C 1.792 176.406 174.600 0.024 0.000 1.023 1059 S CA 1.210 59.420 58.200 0.017 0.000 0.991 1059 S CB -0.642 62.562 63.200 0.007 0.000 0.792 1059 S HN 0.616 nan 8.310 nan 0.000 0.488 1060 K N 0.499 120.901 120.400 0.003 0.000 2.444 1060 K HA 0.351 4.671 4.320 -0.000 0.000 0.193 1060 K C -0.020 176.619 176.600 0.065 0.000 1.024 1060 K CA 0.172 56.475 56.287 0.027 0.000 1.077 1060 K CB -0.015 32.470 32.500 -0.025 0.000 0.833 1060 K HN 0.485 nan 8.250 nan 0.000 0.517 1061 I N -0.030 120.578 120.570 0.065 0.000 2.603 1061 I HA 0.306 4.476 4.170 -0.000 0.000 0.300 1061 I C -1.046 175.186 176.117 0.192 0.000 1.017 1061 I CA -1.350 60.011 61.300 0.101 0.000 1.098 1061 I CB 1.380 39.406 38.000 0.043 0.000 1.279 1061 I HN -0.135 nan 8.210 nan 0.000 0.437 1062 Y N 5.425 125.736 120.300 0.019 0.000 2.519 1062 Y HA 0.603 5.153 4.550 -0.000 0.000 0.336 1062 Y C -1.586 174.294 175.900 -0.034 0.000 1.089 1062 Y CA -0.905 57.194 58.100 -0.001 0.000 1.025 1062 Y CB 1.621 40.090 38.460 0.014 0.000 1.318 1062 Y HN 0.349 nan 8.280 nan 0.000 0.452 1063 I N 4.625 124.754 120.570 -0.735 0.000 2.410 1063 I HA 0.251 4.421 4.170 -0.000 0.000 0.286 1063 I C 0.361 175.863 176.117 -1.024 0.000 1.009 1063 I CA -0.315 60.570 61.300 -0.691 0.000 1.111 1063 I CB 2.115 39.758 38.000 -0.596 0.000 1.262 1063 I HN 0.719 nan 8.210 nan 0.000 0.443 1064 S N 5.093 120.380 115.700 -0.688 0.000 2.441 1064 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 1064 S C 0.367 174.771 174.600 -0.326 0.000 1.043 1064 S CA 0.726 58.662 58.200 -0.439 0.000 0.948 1064 S CB 0.263 63.425 63.200 -0.063 0.000 0.810 1064 S HN 0.840 nan 8.310 nan 0.000 0.504 1065 E N -1.541 118.447 120.200 -0.352 0.000 2.299 1065 E HA 0.302 4.652 4.350 -0.000 0.000 0.260 1065 E C -1.670 174.769 176.600 -0.268 0.000 1.288 1065 E CA -1.005 55.240 56.400 -0.258 0.000 0.904 1065 E CB 0.474 30.105 29.700 -0.114 0.000 1.562 1065 E HN -0.022 nan 8.360 nan 0.000 0.462 1066 T N 1.042 115.500 114.554 -0.159 0.000 2.824 1066 T HA 0.684 5.034 4.350 -0.000 0.000 0.282 1066 T C -1.039 173.594 174.700 -0.111 0.000 0.993 1066 T CA -0.499 61.511 62.100 -0.151 0.000 0.967 1066 T CB 1.256 70.060 68.868 -0.106 0.000 0.960 1066 T HN 0.643 nan 8.240 nan 0.000 0.441 1067 S N 0.155 115.794 115.700 -0.102 0.000 2.533 1067 S HA 0.403 4.872 4.470 -0.000 0.000 0.271 1067 S C 1.007 175.568 174.600 -0.064 0.000 1.143 1067 S CA -0.656 57.492 58.200 -0.088 0.000 0.891 1067 S CB 1.315 64.467 63.200 -0.080 0.000 1.105 1067 S HN 0.729 nan 8.310 nan 0.000 0.468 1068 T N -0.699 113.816 114.554 -0.065 0.000 3.051 1068 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 1068 T C 1.064 175.747 174.700 -0.028 0.000 1.127 1068 T CA 1.414 63.487 62.100 -0.044 0.000 1.107 1068 T CB -0.831 68.006 68.868 -0.053 0.000 0.898 1068 T HN 0.754 nan 8.240 nan 0.000 0.517 1069 N N 1.090 119.773 118.700 -0.029 0.000 2.236 1069 N HA 0.010 4.750 4.740 -0.000 0.000 0.196 1069 N C 1.378 176.891 175.510 0.004 0.000 1.114 1069 N CA 0.768 53.811 53.050 -0.012 0.000 0.859 1069 N CB -0.351 38.128 38.487 -0.013 0.000 0.982 1069 N HN 0.613 nan 8.380 nan 0.000 0.493 1070 T N -3.087 111.466 114.554 -0.003 0.000 3.042 1070 T HA 0.280 4.630 4.350 -0.000 0.000 0.245 1070 T C 0.371 175.077 174.700 0.011 0.000 1.029 1070 T CA 0.076 62.178 62.100 0.004 0.000 1.120 1070 T CB -0.046 68.808 68.868 -0.022 0.000 0.917 1070 T HN -0.091 nan 8.240 nan 0.000 0.467 1071 V N 4.384 124.307 119.914 0.015 0.000 2.445 1071 V HA 0.456 4.576 4.120 -0.000 0.000 0.283 1071 V C -2.497 173.628 176.094 0.052 0.000 1.014 1071 V CA -1.899 60.434 62.300 0.055 0.000 0.852 1071 V CB 1.875 33.748 31.823 0.084 0.000 1.021 1071 V HN 0.302 nan 8.190 nan 0.000 0.435 1072 P HA 0.261 nan 4.420 nan 0.000 0.279 1072 P C -0.095 177.238 177.300 0.055 0.000 1.282 1072 P CA -0.363 62.757 63.100 0.034 0.000 0.788 1072 P CB 0.475 32.185 31.700 0.017 0.000 1.139 1073 N N -1.452 117.266 118.700 0.030 0.000 2.702 1073 N HA -0.140 4.600 4.740 -0.000 0.000 0.261 1073 N C -0.101 175.446 175.510 0.063 0.000 0.965 1073 N CA 0.952 54.020 53.050 0.030 0.000 0.795 1073 N CB -1.700 36.798 38.487 0.020 0.000 0.909 1073 N HN 0.510 nan 8.380 nan 0.000 0.546 1074 S N -1.825 113.915 115.700 0.067 0.000 2.585 1074 S HA 0.539 5.009 4.470 -0.000 0.000 0.277 1074 S C 0.518 175.155 174.600 0.062 0.000 1.241 1074 S CA -0.833 57.432 58.200 0.108 0.000 1.041 1074 S CB 2.086 65.377 63.200 0.152 0.000 0.987 1074 S HN 0.175 nan 8.310 nan 0.000 0.512 1075 S N 3.569 119.305 115.700 0.059 0.000 2.592 1075 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 1075 S C -2.083 172.546 174.600 0.047 0.000 1.326 1075 S CA -0.915 57.255 58.200 -0.051 0.000 1.024 1075 S CB -0.048 62.995 63.200 -0.260 0.000 0.921 1075 S HN 0.719 nan 8.310 nan 0.000 0.527 1076 P HA 0.037 nan 4.420 nan 0.000 0.269 1076 P C -0.677 176.748 177.300 0.207 0.000 1.217 1076 P CA -0.148 63.003 63.100 0.085 0.000 0.783 1076 P CB 0.060 31.803 31.700 0.070 0.000 0.898 1077 T N 1.488 116.116 114.554 0.122 0.000 3.185 1077 T HA 0.480 4.830 4.350 -0.000 0.000 0.287 1077 T C 0.316 175.073 174.700 0.094 0.000 1.051 1077 T CA 0.228 62.398 62.100 0.118 0.000 1.051 1077 T CB -0.617 68.245 68.868 -0.010 0.000 1.034 1077 T HN 0.596 nan 8.240 nan 0.000 0.685 1078 A N 1.837 124.750 122.820 0.155 0.000 2.534 1078 A HA 0.888 5.208 4.320 -0.000 0.000 0.300 1078 A C 0.720 178.078 177.584 -0.377 0.000 1.223 1078 A CA -0.270 51.752 52.037 -0.024 0.000 0.666 1078 A CB 0.059 19.098 19.000 0.064 0.000 1.316 1078 A HN 1.358 nan 8.150 nan 0.000 0.468 1079 A N -1.249 121.253 122.820 -0.529 0.000 2.910 1079 A HA -0.022 4.298 4.320 -0.000 0.000 0.267 1079 A C 1.262 178.618 177.584 -0.380 0.000 1.310 1079 A CA 1.945 53.574 52.037 -0.680 0.000 0.934 1079 A CB -2.485 15.562 19.000 -1.588 0.000 1.057 1079 A HN 2.469 nan 8.150 nan 0.000 0.742 1080 S N -4.654 110.908 115.700 -0.230 0.000 3.146 1080 S HA -0.373 4.097 4.470 -0.000 0.000 0.285 1080 S C 1.203 175.733 174.600 -0.117 0.000 1.293 1080 S CA 2.077 60.196 58.200 -0.135 0.000 1.137 1080 S CB -2.484 60.653 63.200 -0.105 0.000 1.357 1080 S HN 2.270 nan 8.310 nan 0.000 0.678 1081 V N -1.790 118.024 119.914 -0.166 0.000 3.608 1081 V HA 0.170 4.290 4.120 -0.000 0.000 0.269 1081 V C 1.837 177.927 176.094 -0.007 0.000 1.245 1081 V CA 1.049 63.295 62.300 -0.089 0.000 1.138 1081 V CB -0.163 31.589 31.823 -0.117 0.000 0.841 1081 V HN 0.403 nan 8.190 nan 0.000 0.451 1082 S N 1.786 117.523 115.700 0.061 0.000 2.389 1082 S HA -0.261 4.209 4.470 -0.000 0.000 0.231 1082 S C 1.982 176.687 174.600 0.174 0.000 1.052 1082 S CA 2.541 60.888 58.200 0.245 0.000 1.053 1082 S CB -0.706 62.617 63.200 0.204 0.000 0.886 1082 S HN 0.779 nan 8.310 nan 0.000 0.456 1083 T N 1.886 116.465 114.554 0.042 0.000 2.737 1083 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 1083 T C 1.472 176.151 174.700 -0.035 0.000 1.038 1083 T CA 1.426 63.524 62.100 -0.003 0.000 1.144 1083 T CB -0.577 68.284 68.868 -0.013 0.000 0.866 1083 T HN 0.302 nan 8.240 nan 0.000 0.434 1084 D N 1.323 121.703 120.400 -0.033 0.000 2.116 1084 D HA -0.088 4.552 4.640 -0.000 0.000 0.193 1084 D C 2.126 178.317 176.300 -0.182 0.000 0.998 1084 D CA 1.147 55.102 54.000 -0.074 0.000 0.836 1084 D CB -0.367 40.443 40.800 0.016 0.000 0.951 1084 D HN 0.579 nan 8.370 nan 0.000 0.449 1085 I N -2.902 117.574 120.570 -0.156 0.000 2.494 1085 I HA -0.094 4.076 4.170 -0.000 0.000 0.250 1085 I C 1.892 177.788 176.117 -0.368 0.000 1.112 1085 I CA 0.713 61.878 61.300 -0.225 0.000 1.438 1085 I CB -0.577 37.289 38.000 -0.223 0.000 1.111 1085 I HN -0.102 nan 8.210 nan 0.000 0.431 1086 Y N 2.415 122.649 120.300 -0.110 0.000 2.263 1086 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 1086 Y C 2.831 178.639 175.900 -0.152 0.000 1.130 1086 Y CA 1.449 59.460 58.100 -0.147 0.000 1.179 1086 Y CB -0.660 37.619 38.460 -0.300 0.000 0.998 1086 Y HN 0.221 nan 8.280 nan 0.000 0.532 1087 G N -0.722 108.044 108.800 -0.058 0.000 2.432 1087 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 1087 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 1087 G C 1.493 176.327 174.900 -0.110 0.000 1.135 1087 G CA 0.930 45.993 45.100 -0.061 0.000 0.767 1087 G HN 0.281 nan 8.290 nan 0.000 0.550 1088 Q N 0.391 120.030 119.800 -0.269 0.000 2.083 1088 Q HA 0.254 4.594 4.340 -0.000 0.000 0.198 1088 Q C 2.707 178.634 176.000 -0.120 0.000 0.969 1088 Q CA 1.554 57.123 55.803 -0.390 0.000 0.838 1088 Q CB -0.456 27.669 28.738 -1.022 0.000 0.900 1088 Q HN 0.349 nan 8.270 nan 0.000 0.436 1089 A N -0.701 122.074 122.820 -0.074 0.000 1.898 1089 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 1089 A C 2.223 179.867 177.584 0.100 0.000 1.181 1089 A CA 1.540 53.606 52.037 0.049 0.000 0.620 1089 A CB -0.795 18.233 19.000 0.047 0.000 0.819 1089 A HN 0.256 nan 8.150 nan 0.000 0.442 1090 V N -1.341 118.633 119.914 0.101 0.000 2.261 1090 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 1090 V C 2.310 178.461 176.094 0.095 0.000 1.047 1090 V CA 2.143 64.508 62.300 0.109 0.000 1.015 1090 V CB -1.070 30.822 31.823 0.115 0.000 0.642 1090 V HN 0.708 nan 8.190 nan 0.000 0.446 1091 Y N 1.322 121.607 120.300 -0.025 0.000 2.069 1091 Y HA -0.314 4.236 4.550 -0.000 0.000 0.278 1091 Y C 2.678 178.569 175.900 -0.016 0.000 1.175 1091 Y CA 2.337 60.412 58.100 -0.042 0.000 1.134 1091 Y CB -0.242 38.126 38.460 -0.152 0.000 0.965 1091 Y HN 0.248 nan 8.280 nan 0.000 0.498 1092 E N 0.415 120.687 120.200 0.119 0.000 2.070 1092 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 1092 E C 2.437 179.029 176.600 -0.014 0.000 1.004 1092 E CA 1.250 57.685 56.400 0.057 0.000 0.805 1092 E CB -0.929 28.856 29.700 0.142 0.000 0.744 1092 E HN 0.617 nan 8.360 nan 0.000 0.451 1093 A N 1.031 123.865 122.820 0.022 0.000 1.865 1093 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 1093 A C 2.698 180.273 177.584 -0.015 0.000 1.191 1093 A CA 1.784 53.833 52.037 0.021 0.000 0.623 1093 A CB -1.139 17.885 19.000 0.040 0.000 0.826 1093 A HN 0.391 nan 8.150 nan 0.000 0.444 1094 C N -0.687 118.581 119.300 -0.054 0.000 2.403 1094 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 1094 C C 2.928 177.861 174.990 -0.094 0.000 1.248 1094 C CA 1.233 60.212 59.018 -0.064 0.000 1.762 1094 C CB -1.232 26.441 27.740 -0.112 0.000 2.014 1094 C HN 0.606 nan 8.230 nan 0.000 0.486 1095 Q N 0.199 119.885 119.800 -0.189 0.000 2.046 1095 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 1095 Q C 2.281 178.253 176.000 -0.047 0.000 0.975 1095 Q CA 1.984 57.694 55.803 -0.155 0.000 0.836 1095 Q CB -1.238 27.379 28.738 -0.202 0.000 0.896 1095 Q HN 0.639 nan 8.270 nan 0.000 0.428 1096 T N 2.347 116.888 114.554 -0.022 0.000 2.665 1096 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 1096 T C 1.941 176.655 174.700 0.024 0.000 1.035 1096 T CA 1.100 63.206 62.100 0.010 0.000 1.151 1096 T CB -0.147 68.734 68.868 0.022 0.000 0.862 1096 T HN 0.104 nan 8.240 nan 0.000 0.438 1097 I N 1.106 121.696 120.570 0.034 0.000 2.127 1097 I HA -0.109 4.061 4.170 -0.000 0.000 0.241 1097 I C 2.431 178.596 176.117 0.079 0.000 1.075 1097 I CA 1.364 62.704 61.300 0.067 0.000 1.334 1097 I CB -1.409 36.661 38.000 0.118 0.000 1.040 1097 I HN 0.281 nan 8.210 nan 0.000 0.405 1098 L N 0.127 121.397 121.223 0.079 0.000 2.127 1098 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 1098 L C 2.560 179.451 176.870 0.036 0.000 1.089 1098 L CA 1.212 56.099 54.840 0.079 0.000 0.757 1098 L CB -0.565 41.522 42.059 0.047 0.000 0.899 1098 L HN 0.201 nan 8.230 nan 0.000 0.434 1099 K N 0.596 121.010 120.400 0.023 0.000 2.025 1099 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 1099 K C 2.151 178.772 176.600 0.035 0.000 1.049 1099 K CA 1.411 57.708 56.287 0.017 0.000 0.933 1099 K CB -0.086 32.423 32.500 0.014 0.000 0.714 1099 K HN 0.079 nan 8.250 nan 0.000 0.438 1100 R N -0.193 120.335 120.500 0.048 0.000 2.096 1100 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 1100 R C 2.086 178.466 176.300 0.133 0.000 1.127 1100 R CA 1.370 57.516 56.100 0.076 0.000 0.968 1100 R CB -0.286 30.042 30.300 0.046 0.000 0.861 1100 R HN 0.182 nan 8.270 nan 0.000 0.440 1101 L N 0.512 121.784 121.223 0.082 0.000 2.492 1101 L HA -0.036 4.304 4.340 -0.000 0.000 0.223 1101 L C 2.250 179.178 176.870 0.097 0.000 1.132 1101 L CA 0.264 55.162 54.840 0.096 0.000 0.850 1101 L CB -0.202 41.853 42.059 -0.006 0.000 0.966 1101 L HN 0.153 nan 8.230 nan 0.000 0.454 1102 E N 0.964 121.178 120.200 0.023 0.000 2.033 1102 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 1102 E C -0.288 176.238 176.600 -0.124 0.000 1.011 1102 E CA 1.697 58.046 56.400 -0.085 0.000 0.815 1102 E CB -1.293 28.370 29.700 -0.063 0.000 0.755 1102 E HN 0.299 nan 8.360 nan 0.000 0.451 1103 P HA -0.176 nan 4.420 nan 0.000 0.218 1103 P C 1.121 178.142 177.300 -0.466 0.000 1.150 1103 P CA 1.442 64.347 63.100 -0.326 0.000 0.841 1103 P CB -0.213 31.216 31.700 -0.451 0.000 0.784 1104 F N -0.684 119.179 119.950 -0.146 0.000 2.270 1104 F HA 0.070 4.597 4.527 -0.000 0.000 0.295 1104 F C 2.389 178.003 175.800 -0.309 0.000 1.087 1104 F CA 0.864 58.793 58.000 -0.120 0.000 1.365 1104 F CB -0.788 38.196 39.000 -0.028 0.000 1.056 1104 F HN -0.196 nan 8.300 nan 0.000 0.506 1105 K N 0.985 121.053 120.400 -0.554 0.000 2.097 1105 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 1105 K C 1.934 178.311 176.600 -0.371 0.000 1.050 1105 K CA 1.297 56.892 56.287 -1.152 0.000 0.938 1105 K CB 0.001 31.750 32.500 -1.252 0.000 0.718 1105 K HN 0.178 nan 8.250 nan 0.000 0.442 1106 K N 0.697 120.950 120.400 -0.246 0.000 1.984 1106 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 1106 K C 2.034 178.601 176.600 -0.056 0.000 1.046 1106 K CA 1.661 57.874 56.287 -0.125 0.000 0.934 1106 K CB -0.035 32.388 32.500 -0.127 0.000 0.717 1106 K HN 0.059 nan 8.250 nan 0.000 0.438 1107 K N 0.398 120.753 120.400 -0.076 0.000 2.218 1107 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 1107 K C 0.773 177.418 176.600 0.076 0.000 1.046 1107 K CA 1.015 57.289 56.287 -0.022 0.000 0.933 1107 K CB -0.166 32.299 32.500 -0.058 0.000 0.728 1107 K HN 0.221 nan 8.250 nan 0.000 0.454 1108 N N -0.437 118.364 118.700 0.167 0.000 2.711 1108 N HA 0.113 4.853 4.740 -0.000 0.000 0.263 1108 N C -2.551 173.229 175.510 0.449 0.000 1.667 1108 N CA -1.267 51.959 53.050 0.294 0.000 0.785 1108 N CB 1.017 39.725 38.487 0.368 0.000 1.231 1108 N HN -0.233 nan 8.380 nan 0.000 0.503 1109 P HA -0.167 nan 4.420 nan 0.000 0.216 1109 P C 0.410 177.921 177.300 0.353 0.000 1.157 1109 P CA 1.284 64.555 63.100 0.285 0.000 0.880 1109 P CB 0.225 32.012 31.700 0.145 0.000 0.791 1110 D N -1.116 119.419 120.400 0.226 0.000 2.371 1110 D HA 0.019 4.659 4.640 -0.000 0.000 0.221 1110 D C 1.370 177.723 176.300 0.089 0.000 0.986 1110 D CA 0.598 54.688 54.000 0.149 0.000 0.899 1110 D CB -0.521 40.333 40.800 0.089 0.000 0.902 1110 D HN 0.154 nan 8.370 nan 0.000 0.530 1111 G N 0.587 109.457 108.800 0.117 0.000 2.684 1111 G HA2 0.270 4.230 3.960 -0.000 0.000 0.255 1111 G HA3 0.270 4.230 3.960 -0.000 0.000 0.255 1111 G C 0.441 174.957 174.900 -0.641 0.000 1.219 1111 G CA -0.230 44.748 45.100 -0.204 0.000 0.901 1111 G HN 0.202 nan 8.290 nan 0.000 0.548 1112 S N -0.709 114.570 115.700 -0.700 0.000 2.738 1112 S HA 0.211 4.681 4.470 -0.000 0.000 0.284 1112 S C 1.094 175.115 174.600 -0.965 0.000 1.146 1112 S CA -0.479 57.335 58.200 -0.643 0.000 0.997 1112 S CB 1.091 64.126 63.200 -0.275 0.000 1.081 1112 S HN 0.819 nan 8.310 nan 0.000 0.553 1113 W N 1.181 122.121 121.300 -0.600 0.000 2.358 1113 W HA -0.144 4.516 4.660 -0.000 0.000 0.303 1113 W C 1.183 177.611 176.519 -0.152 0.000 1.208 1113 W CA 2.062 59.262 57.345 -0.242 0.000 1.274 1113 W CB -0.526 28.917 29.460 -0.028 0.000 1.138 1113 W HN 0.802 nan 8.180 nan 0.000 0.515 1114 E N 1.034 121.149 120.200 -0.141 0.000 2.085 1114 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 1114 E C 1.665 178.126 176.600 -0.231 0.000 0.994 1114 E CA 2.036 58.325 56.400 -0.184 0.000 0.801 1114 E CB -0.759 28.906 29.700 -0.059 0.000 0.743 1114 E HN 0.207 nan 8.360 nan 0.000 0.453 1115 D N -0.446 119.783 120.400 -0.285 0.000 2.092 1115 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 1115 D C 1.743 177.975 176.300 -0.113 0.000 0.994 1115 D CA 0.917 54.783 54.000 -0.223 0.000 0.828 1115 D CB -0.331 40.288 40.800 -0.303 0.000 0.963 1115 D HN 0.288 nan 8.370 nan 0.000 0.450 1116 W N 1.184 122.420 121.300 -0.106 0.000 2.358 1116 W HA -0.086 4.574 4.660 -0.000 0.000 0.303 1116 W C 2.403 178.713 176.519 -0.347 0.000 1.208 1116 W CA 0.156 57.415 57.345 -0.144 0.000 1.274 1116 W CB -1.362 28.039 29.460 -0.097 0.000 1.138 1116 W HN -0.123 nan 8.180 nan 0.000 0.515 1117 V N 0.765 120.515 119.914 -0.273 0.000 2.255 1117 V HA -0.352 3.768 4.120 -0.000 0.000 0.247 1117 V C 2.313 178.270 176.094 -0.229 0.000 1.051 1117 V CA 2.364 64.432 62.300 -0.387 0.000 1.018 1117 V CB -1.045 30.460 31.823 -0.531 0.000 0.641 1117 V HN 0.050 nan 8.190 nan 0.000 0.445 1118 M N 0.900 120.411 119.600 -0.149 0.000 2.108 1118 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 1118 M C 2.056 178.335 176.300 -0.034 0.000 1.066 1118 M CA 2.193 57.468 55.300 -0.040 0.000 1.107 1118 M CB -0.878 31.706 32.600 -0.027 0.000 1.356 1118 M HN 0.272 nan 8.290 nan 0.000 0.406 1119 A N -0.508 122.271 122.820 -0.068 0.000 1.933 1119 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 1119 A C 2.338 179.710 177.584 -0.353 0.000 1.175 1119 A CA 2.056 54.072 52.037 -0.035 0.000 0.628 1119 A CB -1.338 17.782 19.000 0.201 0.000 0.814 1119 A HN 0.643 nan 8.150 nan 0.000 0.444 1120 A N -1.725 120.641 122.820 -0.757 0.000 1.929 1120 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 1120 A C 2.105 179.473 177.584 -0.360 0.000 1.176 1120 A CA 1.498 52.919 52.037 -1.026 0.000 0.628 1120 A CB -0.697 17.767 19.000 -0.894 0.000 0.816 1120 A HN 0.682 nan 8.150 nan 0.000 0.444 1121 Y N 0.837 120.966 120.300 -0.286 0.000 2.145 1121 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 1121 Y C 2.510 178.351 175.900 -0.097 0.000 1.145 1121 Y CA 2.045 60.052 58.100 -0.156 0.000 1.148 1121 Y CB -0.373 38.016 38.460 -0.119 0.000 0.981 1121 Y HN 0.356 nan 8.280 nan 0.000 0.507 1122 Q N -0.323 119.326 119.800 -0.252 0.000 2.096 1122 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 1122 Q C 1.469 177.360 176.000 -0.181 0.000 0.982 1122 Q CA 1.906 57.563 55.803 -0.242 0.000 0.850 1122 Q CB -0.680 28.023 28.738 -0.060 0.000 0.901 1122 Q HN 0.516 nan 8.270 nan 0.000 0.422 1123 D N 0.135 120.490 120.400 -0.076 0.000 2.338 1123 D HA -0.015 4.625 4.640 -0.000 0.000 0.239 1123 D C -0.405 175.878 176.300 -0.028 0.000 1.095 1123 D CA -0.040 53.980 54.000 0.034 0.000 0.888 1123 D CB -0.074 40.908 40.800 0.304 0.000 0.899 1123 D HN 0.088 nan 8.370 nan 0.000 0.525 1124 R N -0.811 119.596 120.500 -0.155 0.000 3.264 1124 R HA -0.138 4.202 4.340 -0.000 0.000 0.251 1124 R C -0.989 175.279 176.300 -0.053 0.000 0.971 1124 R CA 0.091 56.105 56.100 -0.143 0.000 0.658 1124 R CB -2.023 28.211 30.300 -0.110 0.000 1.095 1124 R HN 0.038 nan 8.270 nan 0.000 0.443 1125 V N 0.795 120.677 119.914 -0.053 0.000 2.398 1125 V HA 0.193 4.313 4.120 -0.000 0.000 0.286 1125 V C 0.857 176.941 176.094 -0.017 0.000 1.026 1125 V CA -0.430 61.860 62.300 -0.017 0.000 0.868 1125 V CB 1.836 33.643 31.823 -0.026 0.000 0.982 1125 V HN 0.374 nan 8.190 nan 0.000 0.443 1126 S N 4.837 120.540 115.700 0.005 0.000 2.537 1126 S HA 0.222 4.692 4.470 -0.000 0.000 0.286 1126 S C 0.403 175.003 174.600 -0.001 0.000 1.299 1126 S CA -0.203 58.004 58.200 0.012 0.000 1.067 1126 S CB 0.030 63.240 63.200 0.018 0.000 0.864 1126 S HN 0.613 nan 8.310 nan 0.000 0.494 1127 L N 4.331 125.549 121.223 -0.008 0.000 2.928 1127 L HA 0.319 4.659 4.340 -0.000 0.000 0.246 1127 L C 0.449 177.322 176.870 0.004 0.000 1.239 1127 L CA -0.206 54.618 54.840 -0.027 0.000 1.035 1127 L CB 0.331 42.348 42.059 -0.070 0.000 1.360 1127 L HN 0.580 nan 8.230 nan 0.000 0.529 1128 S N -0.462 115.264 115.700 0.043 0.000 2.672 1128 S HA 0.619 5.089 4.470 -0.000 0.000 0.291 1128 S C -0.606 174.051 174.600 0.094 0.000 1.145 1128 S CA -0.275 58.005 58.200 0.134 0.000 1.013 1128 S CB 1.804 65.111 63.200 0.178 0.000 1.017 1128 S HN 0.130 nan 8.310 nan 0.000 0.487 1129 T N 2.204 116.802 114.554 0.074 0.000 2.864 1129 T HA 0.753 5.103 4.350 -0.000 0.000 0.299 1129 T C -0.404 174.319 174.700 0.037 0.000 1.166 1129 T CA -0.277 61.853 62.100 0.050 0.000 1.007 1129 T CB 1.612 70.505 68.868 0.042 0.000 1.219 1129 T HN 0.813 nan 8.240 nan 0.000 0.506 1130 T N -0.288 114.294 114.554 0.046 0.000 2.936 1130 T HA 0.828 5.178 4.350 -0.000 0.000 0.282 1130 T C 0.278 175.032 174.700 0.090 0.000 1.003 1130 T CA -0.613 61.524 62.100 0.062 0.000 1.005 1130 T CB 1.398 70.305 68.868 0.064 0.000 1.097 1130 T HN 0.907 nan 8.240 nan 0.000 0.532 1131 G N -0.205 108.676 108.800 0.135 0.000 2.620 1131 G HA2 0.668 4.628 3.960 -0.000 0.000 0.301 1131 G HA3 0.668 4.628 3.960 -0.000 0.000 0.301 1131 G C -2.109 172.962 174.900 0.286 0.000 1.347 1131 G CA -0.795 44.406 45.100 0.169 0.000 0.971 1131 G HN 0.714 nan 8.290 nan 0.000 0.488 1132 F N 0.624 120.626 119.950 0.086 0.000 2.668 1132 F HA 0.759 5.286 4.527 -0.000 0.000 0.309 1132 F C -2.050 173.843 175.800 0.155 0.000 1.117 1132 F CA -1.138 56.915 58.000 0.089 0.000 0.951 1132 F CB 2.335 41.367 39.000 0.052 0.000 1.323 1132 F HN 0.581 nan 8.300 nan 0.000 0.451 1133 Y N 3.571 123.421 120.300 -0.750 0.000 2.519 1133 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 1133 Y C -1.617 173.903 175.900 -0.633 0.000 1.089 1133 Y CA -1.130 56.685 58.100 -0.475 0.000 1.025 1133 Y CB 1.601 39.857 38.460 -0.341 0.000 1.318 1133 Y HN 0.726 nan 8.280 nan 0.000 0.452 1134 R N 3.234 123.096 120.500 -1.062 0.000 2.502 1134 R HA 0.490 4.830 4.340 -0.000 0.000 0.300 1134 R C -1.335 174.310 176.300 -1.093 0.000 0.984 1134 R CA -0.524 55.113 56.100 -0.772 0.000 0.882 1134 R CB 1.425 31.563 30.300 -0.270 0.000 1.180 1134 R HN 0.797 nan 8.270 nan 0.000 0.444 1135 T N 6.744 120.808 114.554 -0.816 0.000 2.799 1135 T HA 0.174 4.524 4.350 -0.000 0.000 0.296 1135 T C -2.050 172.463 174.700 -0.312 0.000 0.947 1135 T CA -0.797 60.941 62.100 -0.604 0.000 1.141 1135 T CB 0.745 69.400 68.868 -0.355 0.000 0.891 1135 T HN 0.447 nan 8.240 nan 0.000 0.533 1136 P HA 0.111 nan 4.420 nan 0.000 0.274 1136 P C -0.104 177.231 177.300 0.059 0.000 1.237 1136 P CA -0.457 62.624 63.100 -0.032 0.000 0.793 1136 P CB 0.428 32.152 31.700 0.039 0.000 0.977 1137 N N -0.084 118.639 118.700 0.039 0.000 2.688 1137 N HA -0.156 4.584 4.740 -0.000 0.000 0.258 1137 N C -0.695 174.840 175.510 0.042 0.000 1.016 1137 N CA 0.896 53.973 53.050 0.046 0.000 0.747 1137 N CB -1.229 37.295 38.487 0.062 0.000 0.895 1137 N HN 0.460 nan 8.380 nan 0.000 0.543 1138 L N -0.546 120.685 121.223 0.012 0.000 2.354 1138 L HA 0.778 5.118 4.340 -0.000 0.000 0.269 1138 L C 0.825 177.687 176.870 -0.013 0.000 1.005 1138 L CA -0.729 54.104 54.840 -0.011 0.000 0.819 1138 L CB 2.205 44.246 42.059 -0.030 0.000 1.311 1138 L HN 0.289 nan 8.230 nan 0.000 0.423 1139 G N 1.683 110.471 108.800 -0.021 0.000 2.258 1139 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.182 1139 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.182 1139 G C -1.744 173.169 174.900 0.022 0.000 1.790 1139 G CA -0.755 44.347 45.100 0.003 0.000 1.128 1139 G HN 0.453 nan 8.290 nan 0.000 0.606 1140 Y N 2.129 122.363 120.300 -0.110 0.000 2.352 1140 Y HA 0.803 5.353 4.550 -0.000 0.000 0.326 1140 Y C 0.123 175.978 175.900 -0.074 0.000 1.166 1140 Y CA -0.588 57.440 58.100 -0.120 0.000 1.182 1140 Y CB 2.300 40.629 38.460 -0.218 0.000 1.216 1140 Y HN 0.597 nan 8.280 nan 0.000 0.474 1141 S N 4.880 119.974 115.700 -1.010 0.000 2.519 1141 S HA 0.364 4.834 4.470 -0.000 0.000 0.309 1141 S C -0.079 173.864 174.600 -1.095 0.000 1.100 1141 S CA -0.641 57.147 58.200 -0.687 0.000 1.059 1141 S CB 0.245 63.252 63.200 -0.323 0.000 1.008 1141 S HN 0.729 nan 8.310 nan 0.000 0.478 1142 F N 2.198 121.909 119.950 -0.399 0.000 2.558 1142 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 1142 F C 2.221 177.958 175.800 -0.105 0.000 1.119 1142 F CA 0.403 58.333 58.000 -0.116 0.000 1.451 1142 F CB 0.209 39.253 39.000 0.073 0.000 1.091 1142 F HN 0.551 nan 8.300 nan 0.000 0.563 1143 E N -0.507 119.701 120.200 0.013 0.000 2.106 1143 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 1143 E C 1.980 178.560 176.600 -0.034 0.000 0.984 1143 E CA 1.771 58.175 56.400 0.007 0.000 0.806 1143 E CB -0.827 28.870 29.700 -0.005 0.000 0.750 1143 E HN 0.398 nan 8.360 nan 0.000 0.458 1144 T N -2.926 111.559 114.554 -0.114 0.000 3.170 1144 T HA 0.116 4.466 4.350 -0.000 0.000 0.288 1144 T C 0.338 174.972 174.700 -0.109 0.000 0.992 1144 T CA -0.068 61.977 62.100 -0.091 0.000 0.909 1144 T CB -0.739 68.075 68.868 -0.090 0.000 1.133 1144 T HN 0.168 nan 8.240 nan 0.000 0.530 1145 N N 1.668 120.268 118.700 -0.166 0.000 2.702 1145 N HA -0.225 4.515 4.740 -0.000 0.000 0.261 1145 N C -0.411 175.109 175.510 0.017 0.000 0.965 1145 N CA 0.612 53.641 53.050 -0.034 0.000 0.795 1145 N CB -0.847 37.721 38.487 0.135 0.000 0.909 1145 N HN 0.864 nan 8.380 nan 0.000 0.546 1146 S N -0.611 114.977 115.700 -0.188 0.000 2.638 1146 S HA 0.842 5.312 4.470 -0.000 0.000 0.274 1146 S C -0.035 174.546 174.600 -0.031 0.000 1.157 1146 S CA -0.120 58.064 58.200 -0.026 0.000 0.826 1146 S CB 2.072 65.246 63.200 -0.043 0.000 1.139 1146 S HN 0.995 nan 8.310 nan 0.000 0.474 1147 G N 1.460 110.297 108.800 0.063 0.000 2.895 1147 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.686 1147 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.686 1147 G C -1.044 173.942 174.900 0.143 0.000 1.108 1147 G CA -1.004 44.133 45.100 0.063 0.000 0.761 1147 G HN 0.888 nan 8.290 nan 0.000 0.611 1148 N N 0.285 119.025 118.700 0.066 0.000 2.454 1148 N HA 0.359 5.099 4.740 -0.000 0.000 0.254 1148 N C 1.170 176.613 175.510 -0.111 0.000 1.228 1148 N CA 0.667 53.730 53.050 0.022 0.000 0.900 1148 N CB 1.497 39.993 38.487 0.015 0.000 1.089 1148 N HN 1.158 nan 8.380 nan 0.000 0.449 1149 A N 2.036 124.624 122.820 -0.386 0.000 2.055 1149 A HA 0.293 4.613 4.320 -0.000 0.000 0.205 1149 A C 0.020 176.919 177.584 -1.142 0.000 1.235 1149 A CA 0.292 51.736 52.037 -0.988 0.000 0.822 1149 A CB 0.311 18.061 19.000 -2.082 0.000 0.903 1149 A HN 0.544 nan 8.150 nan 0.000 0.473 1150 F N -2.724 117.003 119.950 -0.371 0.000 2.593 1150 F HA 0.474 5.001 4.527 -0.000 0.000 0.320 1150 F C 1.050 176.710 175.800 -0.234 0.000 1.060 1150 F CA -0.746 56.994 58.000 -0.434 0.000 0.940 1150 F CB 1.257 39.760 39.000 -0.829 0.000 1.268 1150 F HN 0.150 nan 8.300 nan 0.000 0.475 1151 H N 0.496 119.522 119.070 -0.074 0.000 2.436 1151 H HA 0.088 4.644 4.556 -0.000 0.000 0.294 1151 H C -0.862 174.566 175.328 0.167 0.000 1.048 1151 H CA 1.524 57.605 56.048 0.055 0.000 1.353 1151 H CB 0.238 30.081 29.762 0.135 0.000 1.414 1151 H HN 0.538 nan 8.280 nan 0.000 0.536 1152 Y N -4.485 115.708 120.300 -0.179 0.000 2.925 1152 Y HA 0.387 4.937 4.550 -0.000 0.000 0.349 1152 Y C -2.009 173.592 175.900 -0.498 0.000 1.342 1152 Y CA -1.965 56.011 58.100 -0.206 0.000 1.093 1152 Y CB 0.518 38.918 38.460 -0.100 0.000 1.571 1152 Y HN -0.198 nan 8.280 nan 0.000 0.438 1153 F N 0.413 120.298 119.950 -0.109 0.000 2.551 1153 F HA 0.694 5.221 4.527 -0.000 0.000 0.316 1153 F C -0.200 175.204 175.800 -0.660 0.000 1.089 1153 F CA -0.881 56.834 58.000 -0.475 0.000 0.915 1153 F CB 2.608 41.325 39.000 -0.472 0.000 1.186 1153 F HN 0.489 nan 8.300 nan 0.000 0.456 1154 T N 2.292 116.623 114.554 -0.372 0.000 2.795 1154 T HA 0.513 4.863 4.350 -0.000 0.000 0.282 1154 T C -1.012 173.500 174.700 -0.313 0.000 0.980 1154 T CA -0.388 61.569 62.100 -0.239 0.000 1.012 1154 T CB 0.401 69.253 68.868 -0.026 0.000 0.936 1154 T HN 0.318 nan 8.240 nan 0.000 0.457 1155 Y N 0.338 120.722 120.300 0.140 0.000 2.587 1155 Y HA 0.760 5.310 4.550 -0.000 0.000 0.337 1155 Y C 0.764 176.714 175.900 0.084 0.000 1.065 1155 Y CA -0.976 57.173 58.100 0.082 0.000 1.126 1155 Y CB 2.481 40.913 38.460 -0.046 0.000 1.279 1155 Y HN 0.894 nan 8.280 nan 0.000 0.489 1156 G N -0.083 108.884 108.800 0.278 0.000 2.556 1156 G HA2 0.505 4.465 3.960 -0.000 0.000 0.294 1156 G HA3 0.505 4.465 3.960 -0.000 0.000 0.294 1156 G C -2.472 172.551 174.900 0.204 0.000 1.516 1156 G CA -0.660 44.560 45.100 0.200 0.000 0.824 1156 G HN 0.474 nan 8.290 nan 0.000 0.535 1157 V N -0.005 120.004 119.914 0.158 0.000 2.789 1157 V HA 0.901 5.021 4.120 -0.000 0.000 0.311 1157 V C 0.154 176.286 176.094 0.063 0.000 1.073 1157 V CA -0.289 62.102 62.300 0.150 0.000 0.921 1157 V CB 1.669 33.580 31.823 0.147 0.000 1.009 1157 V HN 1.678 nan 8.190 nan 0.000 0.426 1158 A N 2.551 125.405 122.820 0.056 0.000 2.393 1158 A HA 0.769 5.089 4.320 -0.000 0.000 0.306 1158 A C -0.907 176.660 177.584 -0.028 0.000 1.050 1158 A CA -0.481 51.564 52.037 0.012 0.000 0.724 1158 A CB 1.707 20.772 19.000 0.108 0.000 1.248 1158 A HN 1.099 nan 8.150 nan 0.000 0.424 1159 C N 2.397 121.658 119.300 -0.065 0.000 2.344 1159 C HA 0.804 5.264 4.460 -0.000 0.000 0.326 1159 C C -0.115 174.873 174.990 -0.005 0.000 1.201 1159 C CA -0.154 58.829 59.018 -0.058 0.000 1.410 1159 C CB -0.372 27.297 27.740 -0.117 0.000 2.070 1159 C HN 0.831 nan 8.230 nan 0.000 0.445 1160 S N 3.652 119.382 115.700 0.050 0.000 2.568 1160 S HA 0.675 5.145 4.470 -0.000 0.000 0.302 1160 S C -1.102 173.528 174.600 0.051 0.000 1.082 1160 S CA -0.511 57.724 58.200 0.059 0.000 1.009 1160 S CB 1.771 65.048 63.200 0.127 0.000 1.069 1160 S HN 0.873 nan 8.310 nan 0.000 0.500 1161 E N 1.412 121.627 120.200 0.025 0.000 2.263 1161 E HA 0.580 4.930 4.350 -0.000 0.000 0.268 1161 E C -1.236 175.362 176.600 -0.004 0.000 0.884 1161 E CA -0.722 55.677 56.400 -0.001 0.000 0.766 1161 E CB 1.459 31.137 29.700 -0.036 0.000 1.196 1161 E HN 0.519 nan 8.360 nan 0.000 0.416 1162 V N 0.568 120.478 119.914 -0.006 0.000 3.158 1162 V HA 0.714 4.834 4.120 -0.000 0.000 0.315 1162 V C -0.770 175.305 176.094 -0.031 0.000 1.148 1162 V CA -0.742 61.570 62.300 0.020 0.000 1.042 1162 V CB 1.936 33.799 31.823 0.067 0.000 1.101 1162 V HN 0.786 nan 8.190 nan 0.000 0.448 1163 E N 1.053 121.258 120.200 0.008 0.000 2.274 1163 E HA 0.569 4.919 4.350 -0.000 0.000 0.269 1163 E C -1.265 175.392 176.600 0.095 0.000 0.891 1163 E CA -0.744 55.645 56.400 -0.018 0.000 0.784 1163 E CB 2.025 31.650 29.700 -0.126 0.000 1.225 1163 E HN 0.896 nan 8.360 nan 0.000 0.412 1164 I N 0.334 120.971 120.570 0.113 0.000 2.707 1164 I HA 0.561 4.731 4.170 -0.000 0.000 0.309 1164 I C -0.278 175.931 176.117 0.154 0.000 1.001 1164 I CA -0.779 60.603 61.300 0.138 0.000 1.129 1164 I CB 1.716 39.762 38.000 0.077 0.000 1.308 1164 I HN 0.308 nan 8.210 nan 0.000 0.466 1165 D N 4.077 124.568 120.400 0.153 0.000 2.472 1165 D HA 0.259 4.899 4.640 -0.000 0.000 0.234 1165 D C 0.534 176.930 176.300 0.161 0.000 1.088 1165 D CA -0.504 53.592 54.000 0.159 0.000 0.882 1165 D CB 1.279 42.161 40.800 0.138 0.000 1.037 1165 D HN 0.768 nan 8.370 nan 0.000 0.520 1166 C N 3.120 122.539 119.300 0.198 0.000 2.434 1166 C HA -0.000 4.460 4.460 -0.000 0.000 0.298 1166 C C 2.245 177.382 174.990 0.245 0.000 1.495 1166 C CA -0.019 59.130 59.018 0.219 0.000 1.756 1166 C CB -1.317 26.585 27.740 0.270 0.000 1.647 1166 C HN 0.633 nan 8.230 nan 0.000 0.579 1167 L N 0.469 121.801 121.223 0.183 0.000 2.609 1167 L HA 0.057 4.397 4.340 -0.000 0.000 0.230 1167 L C 2.452 179.322 176.870 -0.001 0.000 1.087 1167 L CA 1.295 56.169 54.840 0.055 0.000 0.874 1167 L CB -0.072 41.959 42.059 -0.046 0.000 1.114 1167 L HN 0.519 nan 8.230 nan 0.000 0.488 1168 T N -6.003 108.595 114.554 0.073 0.000 2.989 1168 T HA 0.307 4.657 4.350 -0.000 0.000 0.250 1168 T C 1.406 176.243 174.700 0.228 0.000 0.981 1168 T CA 0.700 62.858 62.100 0.096 0.000 0.980 1168 T CB 1.184 70.125 68.868 0.122 0.000 1.133 1168 T HN 0.207 nan 8.240 nan 0.000 0.489 1169 G N 1.386 110.286 108.800 0.167 0.000 2.218 1169 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 1169 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 1169 G C -0.198 174.775 174.900 0.122 0.000 0.994 1169 G CA 0.094 45.264 45.100 0.116 0.000 0.637 1169 G HN 0.840 nan 8.290 nan 0.000 0.505 1170 D N 1.131 121.615 120.400 0.140 0.000 2.358 1170 D HA 0.556 5.196 4.640 -0.000 0.000 0.244 1170 D C 0.586 177.005 176.300 0.198 0.000 1.163 1170 D CA 0.480 54.557 54.000 0.128 0.000 0.945 1170 D CB 0.333 41.166 40.800 0.054 0.000 1.152 1170 D HN 0.599 nan 8.370 nan 0.000 0.451 1171 H N -1.769 117.329 119.070 0.048 0.000 3.014 1171 H HA 0.420 4.976 4.556 -0.000 0.000 0.337 1171 H C -1.506 173.873 175.328 0.085 0.000 1.320 1171 H CA -1.019 55.062 56.048 0.055 0.000 1.128 1171 H CB 0.767 30.538 29.762 0.015 0.000 1.862 1171 H HN 0.459 nan 8.280 nan 0.000 0.536 1172 K N 1.739 122.160 120.400 0.035 0.000 2.427 1172 K HA 0.404 4.724 4.320 -0.000 0.000 0.252 1172 K C -1.058 175.580 176.600 0.062 0.000 0.931 1172 K CA -1.050 55.230 56.287 -0.013 0.000 0.793 1172 K CB 1.979 34.533 32.500 0.090 0.000 1.211 1172 K HN 0.369 nan 8.250 nan 0.000 0.426 1173 N N 3.385 122.112 118.700 0.044 0.000 2.411 1173 N HA 0.117 4.857 4.740 -0.000 0.000 0.259 1173 N C 0.672 176.202 175.510 0.032 0.000 1.103 1173 N CA -0.187 52.904 53.050 0.069 0.000 0.954 1173 N CB 1.034 39.558 38.487 0.061 0.000 1.085 1173 N HN 0.589 nan 8.380 nan 0.000 0.485 1174 L N 1.287 122.515 121.223 0.008 0.000 2.068 1174 L HA 0.115 4.455 4.340 -0.000 0.000 0.204 1174 L C 1.092 177.964 176.870 0.003 0.000 1.076 1174 L CA 0.851 55.684 54.840 -0.012 0.000 0.753 1174 L CB 0.017 42.035 42.059 -0.070 0.000 0.910 1174 L HN 0.467 nan 8.230 nan 0.000 0.439 1175 R N -0.920 119.572 120.500 -0.014 0.000 2.604 1175 R HA 0.388 4.728 4.340 -0.000 0.000 0.261 1175 R C -1.710 174.560 176.300 -0.049 0.000 1.080 1175 R CA -0.333 55.754 56.100 -0.021 0.000 0.917 1175 R CB 2.038 32.334 30.300 -0.005 0.000 1.252 1175 R HN -0.193 nan 8.270 nan 0.000 0.456 1176 T N 2.182 116.676 114.554 -0.100 0.000 2.900 1176 T HA 0.401 4.751 4.350 -0.000 0.000 0.295 1176 T C -1.689 172.946 174.700 -0.109 0.000 1.044 1176 T CA -0.602 61.407 62.100 -0.151 0.000 0.995 1176 T CB 1.723 70.374 68.868 -0.361 0.000 1.072 1176 T HN 0.565 nan 8.240 nan 0.000 0.473 1177 D N 1.536 121.876 120.400 -0.101 0.000 2.696 1177 D HA 0.570 5.210 4.640 -0.000 0.000 0.251 1177 D C -0.692 175.556 176.300 -0.088 0.000 1.188 1177 D CA -0.335 53.627 54.000 -0.063 0.000 0.876 1177 D CB 1.404 42.171 40.800 -0.055 0.000 1.334 1177 D HN 0.342 nan 8.370 nan 0.000 0.540 1178 I N 1.814 122.347 120.570 -0.061 0.000 2.569 1178 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 1178 I C -0.796 175.313 176.117 -0.012 0.000 1.028 1178 I CA -1.172 60.098 61.300 -0.051 0.000 1.082 1178 I CB 2.169 40.126 38.000 -0.072 0.000 1.264 1178 I HN 0.029 nan 8.210 nan 0.000 0.429 1179 V N 6.019 125.938 119.914 0.008 0.000 2.447 1179 V HA 0.409 4.529 4.120 -0.000 0.000 0.292 1179 V C -0.422 175.707 176.094 0.059 0.000 1.021 1179 V CA -0.371 61.944 62.300 0.026 0.000 0.850 1179 V CB 1.714 33.547 31.823 0.016 0.000 1.005 1179 V HN 0.649 nan 8.190 nan 0.000 0.426 1180 M N 3.692 123.330 119.600 0.063 0.000 2.508 1180 M HA 0.549 5.029 4.480 -0.000 0.000 0.327 1180 M C -0.700 175.655 176.300 0.090 0.000 1.160 1180 M CA -0.328 55.023 55.300 0.085 0.000 0.980 1180 M CB 1.804 34.445 32.600 0.070 0.000 1.693 1180 M HN 0.654 nan 8.290 nan 0.000 0.452 1181 D N 2.550 123.022 120.400 0.119 0.000 2.485 1181 D HA 0.327 4.967 4.640 -0.000 0.000 0.229 1181 D C 0.361 176.727 176.300 0.110 0.000 1.101 1181 D CA -0.457 53.618 54.000 0.126 0.000 0.906 1181 D CB 0.570 41.485 40.800 0.192 0.000 1.019 1181 D HN 0.400 nan 8.370 nan 0.000 0.516 1182 V N 1.674 121.637 119.914 0.082 0.000 3.647 1182 V HA 0.519 4.639 4.120 -0.000 0.000 0.279 1182 V C 1.359 177.490 176.094 0.060 0.000 1.314 1182 V CA 0.423 62.765 62.300 0.070 0.000 1.125 1182 V CB -0.830 31.021 31.823 0.047 0.000 0.907 1182 V HN 0.670 nan 8.190 nan 0.000 0.434 1183 G N 0.997 109.833 108.800 0.060 0.000 2.528 1183 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.262 1183 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.262 1183 G C -0.006 174.914 174.900 0.032 0.000 1.200 1183 G CA -0.008 45.114 45.100 0.036 0.000 0.951 1183 G HN 0.820 nan 8.290 nan 0.000 0.566 1184 S N 0.576 116.287 115.700 0.019 0.000 2.400 1184 S HA 0.544 5.014 4.470 -0.000 0.000 0.295 1184 S C 0.522 175.139 174.600 0.028 0.000 1.113 1184 S CA 0.665 58.881 58.200 0.026 0.000 1.064 1184 S CB 1.149 64.363 63.200 0.024 0.000 0.990 1184 S HN 1.106 nan 8.310 nan 0.000 0.502 1185 S N 3.214 118.933 115.700 0.031 0.000 2.549 1185 S HA 0.228 4.698 4.470 -0.000 0.000 0.283 1185 S C 1.278 175.882 174.600 0.008 0.000 1.320 1185 S CA -0.600 57.611 58.200 0.019 0.000 1.058 1185 S CB 0.168 63.375 63.200 0.012 0.000 0.882 1185 S HN 0.676 nan 8.310 nan 0.000 0.498 1186 L N 3.390 124.614 121.223 0.003 0.000 2.270 1186 L HA 0.200 4.540 4.340 -0.000 0.000 0.210 1186 L C 0.993 177.846 176.870 -0.029 0.000 1.104 1186 L CA 0.431 55.268 54.840 -0.004 0.000 0.804 1186 L CB -0.086 41.984 42.059 0.018 0.000 0.937 1186 L HN 0.597 nan 8.230 nan 0.000 0.450 1187 N N -0.535 118.139 118.700 -0.043 0.000 2.793 1187 N HA 0.113 4.853 4.740 -0.000 0.000 0.251 1187 N C -2.281 173.147 175.510 -0.136 0.000 1.308 1187 N CA -0.959 52.044 53.050 -0.078 0.000 0.781 1187 N CB 1.565 40.011 38.487 -0.068 0.000 1.439 1187 N HN -0.217 nan 8.380 nan 0.000 0.562 1188 P HA -0.063 nan 4.420 nan 0.000 0.226 1188 P C 0.858 177.877 177.300 -0.468 0.000 1.146 1188 P CA 0.671 63.581 63.100 -0.317 0.000 0.773 1188 P CB 0.500 31.944 31.700 -0.427 0.000 0.772 1189 A N 0.060 122.605 122.820 -0.458 0.000 1.911 1189 A HA -0.028 4.292 4.320 -0.000 0.000 0.212 1189 A C 2.174 179.544 177.584 -0.358 0.000 1.189 1189 A CA 0.767 52.439 52.037 -0.608 0.000 0.639 1189 A CB -0.941 17.523 19.000 -0.894 0.000 0.839 1189 A HN -0.023 nan 8.150 nan 0.000 0.449 1190 I N 0.956 121.404 120.570 -0.203 0.000 2.202 1190 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 1190 I C -0.233 175.830 176.117 -0.091 0.000 1.091 1190 I CA 0.769 62.014 61.300 -0.092 0.000 1.368 1190 I CB -1.558 36.412 38.000 -0.050 0.000 1.058 1190 I HN 0.198 nan 8.210 nan 0.000 0.410 1191 D N 1.368 121.703 120.400 -0.107 0.000 2.339 1191 D HA 0.429 5.069 4.640 -0.000 0.000 0.241 1191 D C 1.199 177.430 176.300 -0.114 0.000 1.183 1191 D CA 0.125 54.078 54.000 -0.079 0.000 0.859 1191 D CB 2.088 42.855 40.800 -0.055 0.000 1.067 1191 D HN 0.220 nan 8.370 nan 0.000 0.484 1192 I N 0.396 120.910 120.570 -0.093 0.000 4.493 1192 I HA -0.200 3.970 4.170 -0.000 0.000 0.268 1192 I C 1.823 177.868 176.117 -0.120 0.000 0.476 1192 I CA 0.514 61.744 61.300 -0.117 0.000 1.410 1192 I CB -0.849 37.042 38.000 -0.182 0.000 3.570 1192 I HN 0.469 nan 8.210 nan 0.000 1.085 1193 G N 0.876 109.609 108.800 -0.112 0.000 2.464 1193 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 1193 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 1193 G C 1.180 176.064 174.900 -0.026 0.000 1.138 1193 G CA 0.600 45.655 45.100 -0.075 0.000 0.793 1193 G HN 0.311 nan 8.290 nan 0.000 0.539 1194 Q N 0.087 119.876 119.800 -0.018 0.000 2.187 1194 Q HA 0.071 4.411 4.340 -0.000 0.000 0.199 1194 Q C 2.875 178.898 176.000 0.039 0.000 0.957 1194 Q CA 0.536 56.350 55.803 0.019 0.000 0.857 1194 Q CB -0.198 28.543 28.738 0.004 0.000 0.929 1194 Q HN 0.399 nan 8.270 nan 0.000 0.453 1195 V N 1.351 121.276 119.914 0.019 0.000 2.323 1195 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 1195 V C 2.026 178.192 176.094 0.120 0.000 1.041 1195 V CA 1.689 64.023 62.300 0.058 0.000 1.025 1195 V CB -0.327 31.507 31.823 0.019 0.000 0.656 1195 V HN 0.362 nan 8.190 nan 0.000 0.451 1196 E N 0.196 120.410 120.200 0.023 0.000 2.106 1196 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 1196 E C 2.261 178.989 176.600 0.213 0.000 0.984 1196 E CA 1.177 57.607 56.400 0.049 0.000 0.806 1196 E CB -0.418 29.092 29.700 -0.318 0.000 0.750 1196 E HN 0.645 nan 8.360 nan 0.000 0.458 1197 G N 1.247 110.115 108.800 0.113 0.000 2.394 1197 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.214 1197 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.214 1197 G C 1.703 176.681 174.900 0.130 0.000 1.176 1197 G CA 0.736 45.901 45.100 0.109 0.000 0.786 1197 G HN 0.332 nan 8.290 nan 0.000 0.533 1198 A N 0.317 123.222 122.820 0.141 0.000 1.930 1198 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 1198 A C 2.151 179.804 177.584 0.115 0.000 1.175 1198 A CA 1.465 53.568 52.037 0.110 0.000 0.627 1198 A CB -0.543 18.512 19.000 0.091 0.000 0.815 1198 A HN 0.378 nan 8.150 nan 0.000 0.443 1199 F N 0.801 120.802 119.950 0.085 0.000 2.126 1199 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 1199 F C 2.171 178.021 175.800 0.082 0.000 1.096 1199 F CA 2.039 60.105 58.000 0.110 0.000 1.255 1199 F CB -0.226 38.906 39.000 0.221 0.000 0.997 1199 F HN 0.030 nan 8.300 nan 0.000 0.479 1200 V N 0.144 120.150 119.914 0.153 0.000 2.515 1200 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 1200 V C 2.219 178.243 176.094 -0.117 0.000 1.058 1200 V CA 1.991 64.311 62.300 0.032 0.000 1.064 1200 V CB -0.736 31.217 31.823 0.216 0.000 0.675 1200 V HN 0.392 nan 8.190 nan 0.000 0.461 1201 Q N -0.161 119.572 119.800 -0.113 0.000 2.297 1201 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 1201 Q C 2.265 178.069 176.000 -0.327 0.000 0.962 1201 Q CA 1.229 56.922 55.803 -0.184 0.000 0.879 1201 Q CB -0.224 28.430 28.738 -0.141 0.000 0.947 1201 Q HN 0.746 nan 8.270 nan 0.000 0.462 1202 G N 1.277 109.862 108.800 -0.359 0.000 2.425 1202 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.213 1202 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.213 1202 G C 1.428 175.997 174.900 -0.552 0.000 1.201 1202 G CA 0.744 45.531 45.100 -0.520 0.000 0.799 1202 G HN 0.374 nan 8.290 nan 0.000 0.534 1203 L N 0.915 121.857 121.223 -0.468 0.000 2.261 1203 L HA 0.223 4.563 4.340 -0.000 0.000 0.216 1203 L C 2.375 179.106 176.870 -0.231 0.000 1.114 1203 L CA 1.903 56.566 54.840 -0.296 0.000 0.777 1203 L CB -1.270 40.591 42.059 -0.330 0.000 0.910 1203 L HN 0.094 nan 8.230 nan 0.000 0.440 1204 G N 0.316 108.943 108.800 -0.288 0.000 2.404 1204 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 1204 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 1204 G C 1.519 176.218 174.900 -0.335 0.000 1.174 1204 G CA 0.856 45.799 45.100 -0.261 0.000 0.780 1204 G HN 0.451 nan 8.290 nan 0.000 0.537 1205 L N -0.359 120.554 121.223 -0.518 0.000 2.046 1205 L HA 0.181 4.521 4.340 -0.000 0.000 0.208 1205 L C 2.388 178.925 176.870 -0.555 0.000 1.077 1205 L CA 1.641 56.092 54.840 -0.648 0.000 0.747 1205 L CB -0.464 40.986 42.059 -1.016 0.000 0.896 1205 L HN 0.274 nan 8.230 nan 0.000 0.432 1206 F N -1.166 118.586 119.950 -0.330 0.000 2.615 1206 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 1206 F C 1.621 177.368 175.800 -0.089 0.000 1.124 1206 F CA 0.588 58.382 58.000 -0.344 0.000 1.451 1206 F CB -0.137 38.631 39.000 -0.387 0.000 1.103 1206 F HN 0.312 nan 8.300 nan 0.000 0.569 1207 T N -4.190 110.394 114.554 0.051 0.000 3.328 1207 T HA 0.265 4.615 4.350 -0.000 0.000 0.305 1207 T C 0.464 175.167 174.700 0.004 0.000 0.939 1207 T CA -0.019 62.114 62.100 0.055 0.000 0.950 1207 T CB 0.126 69.033 68.868 0.066 0.000 1.182 1207 T HN 0.106 nan 8.240 nan 0.000 0.545 1208 L N 0.162 121.336 121.223 -0.082 0.000 2.481 1208 L HA 0.535 4.875 4.340 -0.000 0.000 0.253 1208 L C -0.319 176.411 176.870 -0.233 0.000 1.071 1208 L CA 0.454 55.219 54.840 -0.125 0.000 1.189 1208 L CB 0.638 42.616 42.059 -0.135 0.000 2.356 1208 L HN 0.187 nan 8.230 nan 0.000 0.545 1209 E N 1.545 121.558 120.200 -0.311 0.000 2.259 1209 E HA 0.373 4.723 4.350 -0.000 0.000 0.281 1209 E C -0.455 176.006 176.600 -0.233 0.000 1.037 1209 E CA 0.085 56.194 56.400 -0.485 0.000 0.854 1209 E CB 0.892 30.311 29.700 -0.469 0.000 1.051 1209 E HN 0.104 nan 8.360 nan 0.000 0.409 1210 E N 3.964 124.060 120.200 -0.174 0.000 2.311 1210 E HA 0.233 4.582 4.350 -0.000 0.000 0.281 1210 E C -1.533 175.031 176.600 -0.059 0.000 0.905 1210 E CA -0.468 55.888 56.400 -0.073 0.000 0.778 1210 E CB 1.024 30.647 29.700 -0.129 0.000 1.240 1210 E HN 0.376 nan 8.360 nan 0.000 0.410 1211 L N 3.690 124.899 121.223 -0.024 0.000 2.325 1211 L HA 0.528 4.868 4.340 -0.000 0.000 0.279 1211 L C -0.470 176.260 176.870 -0.233 0.000 1.054 1211 L CA -0.723 54.069 54.840 -0.081 0.000 0.804 1211 L CB 1.290 43.352 42.059 0.006 0.000 1.200 1211 L HN 0.607 nan 8.230 nan 0.000 0.436 1212 H N 1.143 120.218 119.070 0.008 0.000 2.572 1212 H HA 0.584 5.140 4.556 -0.000 0.000 0.359 1212 H C -1.412 173.902 175.328 -0.023 0.000 1.134 1212 H CA -0.451 55.688 56.048 0.153 0.000 1.187 1212 H CB 1.774 31.667 29.762 0.218 0.000 1.597 1212 H HN 0.297 nan 8.280 nan 0.000 0.524 1213 Y N -0.190 120.278 120.300 0.280 0.000 2.545 1213 Y HA 0.333 4.883 4.550 -0.000 0.000 0.348 1213 Y C 0.221 176.137 175.900 0.028 0.000 1.002 1213 Y CA -1.266 56.842 58.100 0.012 0.000 1.039 1213 Y CB 1.734 40.202 38.460 0.012 0.000 1.271 1213 Y HN 0.647 nan 8.280 nan 0.000 0.467 1214 S N 0.880 116.551 115.700 -0.049 0.000 2.603 1214 S HA 0.269 4.739 4.470 -0.000 0.000 0.268 1214 S C -2.107 172.565 174.600 0.121 0.000 1.317 1214 S CA -0.997 57.279 58.200 0.127 0.000 1.012 1214 S CB 1.377 64.592 63.200 0.024 0.000 0.926 1214 S HN 0.462 nan 8.310 nan 0.000 0.539 1215 P HA -0.168 nan 4.420 nan 0.000 0.217 1215 P C 1.042 178.366 177.300 0.040 0.000 1.151 1215 P CA 1.340 64.479 63.100 0.065 0.000 0.849 1215 P CB -0.069 31.663 31.700 0.053 0.000 0.787 1216 E N -1.098 119.124 120.200 0.038 0.000 2.463 1216 E HA 0.104 4.454 4.350 -0.000 0.000 0.191 1216 E C 1.150 177.764 176.600 0.024 0.000 1.083 1216 E CA 0.760 57.173 56.400 0.022 0.000 0.872 1216 E CB -0.975 28.733 29.700 0.014 0.000 0.966 1216 E HN 0.263 nan 8.360 nan 0.000 0.491 1217 G N 0.997 109.821 108.800 0.039 0.000 2.132 1217 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.234 1217 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.234 1217 G C 0.040 175.007 174.900 0.113 0.000 0.989 1217 G CA 0.346 45.481 45.100 0.058 0.000 0.676 1217 G HN 0.382 nan 8.290 nan 0.000 0.522 1218 S N -0.084 115.651 115.700 0.059 0.000 2.422 1218 S HA 0.638 5.108 4.470 -0.000 0.000 0.308 1218 S C 0.401 174.924 174.600 -0.127 0.000 1.097 1218 S CA -0.641 57.558 58.200 -0.003 0.000 1.099 1218 S CB 0.833 64.002 63.200 -0.053 0.000 0.976 1218 S HN 1.178 nan 8.310 nan 0.000 0.471 1219 L N 6.395 127.563 121.223 -0.092 0.000 2.490 1219 L HA 0.232 4.572 4.340 -0.000 0.000 0.274 1219 L C 1.112 177.804 176.870 -0.298 0.000 1.201 1219 L CA 0.902 55.519 54.840 -0.372 0.000 0.869 1219 L CB 0.338 42.194 42.059 -0.338 0.000 1.123 1219 L HN 0.804 nan 8.230 nan 0.000 0.484 1220 H N 1.459 120.460 119.070 -0.115 0.000 2.406 1220 H HA 0.098 4.654 4.556 -0.000 0.000 0.304 1220 H C 0.246 175.575 175.328 0.001 0.000 1.042 1220 H CA 1.077 57.121 56.048 -0.007 0.000 1.360 1220 H CB -0.151 29.640 29.762 0.050 0.000 1.448 1220 H HN 0.689 nan 8.280 nan 0.000 0.553 1221 T N 1.014 115.634 114.554 0.110 0.000 2.775 1221 T HA 0.332 4.682 4.350 -0.000 0.000 0.287 1221 T C 0.726 175.446 174.700 0.033 0.000 0.909 1221 T CA -0.437 61.723 62.100 0.101 0.000 1.081 1221 T CB 0.313 69.270 68.868 0.147 0.000 0.891 1221 T HN 0.248 nan 8.240 nan 0.000 0.544 1222 R N 2.014 122.554 120.500 0.067 0.000 2.629 1222 R HA 0.451 4.791 4.340 -0.000 0.000 0.408 1222 R C 0.639 177.012 176.300 0.122 0.000 1.057 1222 R CA -0.626 55.518 56.100 0.073 0.000 1.119 1222 R CB 1.242 31.594 30.300 0.088 0.000 1.403 1222 R HN 0.791 nan 8.270 nan 0.000 0.576 1223 G N 0.505 109.394 108.800 0.148 0.000 2.623 1223 G HA2 0.214 4.174 3.960 -0.000 0.000 0.290 1223 G HA3 0.214 4.174 3.960 -0.000 0.000 0.290 1223 G C -2.578 172.473 174.900 0.251 0.000 1.437 1223 G CA -0.848 44.370 45.100 0.198 0.000 0.798 1223 G HN -0.287 nan 8.290 nan 0.000 0.488 1224 P HA -0.092 nan 4.420 nan 0.000 0.225 1224 P C 1.763 179.108 177.300 0.076 0.000 1.148 1224 P CA 1.725 64.916 63.100 0.153 0.000 0.779 1224 P CB 0.227 32.062 31.700 0.224 0.000 0.780 1225 S N -0.355 115.390 115.700 0.075 0.000 2.423 1225 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 1225 S C 1.761 176.382 174.600 0.034 0.000 1.014 1225 S CA 1.737 59.956 58.200 0.033 0.000 0.965 1225 S CB -1.627 61.571 63.200 -0.003 0.000 0.785 1225 S HN 0.352 nan 8.310 nan 0.000 0.495 1226 T N -3.771 110.825 114.554 0.071 0.000 3.003 1226 T HA 0.284 4.634 4.350 -0.000 0.000 0.261 1226 T C -0.204 174.579 174.700 0.139 0.000 1.003 1226 T CA -0.435 61.721 62.100 0.093 0.000 0.917 1226 T CB -0.289 68.642 68.868 0.105 0.000 1.084 1226 T HN 0.353 nan 8.240 nan 0.000 0.522 1227 Y N 3.152 123.443 120.300 -0.015 0.000 2.464 1227 Y HA 0.517 5.067 4.550 -0.000 0.000 0.326 1227 Y C -0.984 174.835 175.900 -0.134 0.000 0.969 1227 Y CA -1.660 56.405 58.100 -0.058 0.000 1.270 1227 Y CB 0.857 39.294 38.460 -0.038 0.000 1.103 1227 Y HN -0.145 nan 8.280 nan 0.000 0.491 1228 K N 8.549 128.683 120.400 -0.442 0.000 2.250 1228 K HA 0.291 4.611 4.320 -0.000 0.000 0.280 1228 K C -0.024 176.287 176.600 -0.480 0.000 1.098 1228 K CA -0.274 55.792 56.287 -0.368 0.000 0.916 1228 K CB 0.425 32.802 32.500 -0.204 0.000 1.209 1228 K HN 0.824 nan 8.250 nan 0.000 0.461 1229 I N -0.725 119.576 120.570 -0.448 0.000 2.970 1229 I HA 0.415 4.585 4.170 -0.000 0.000 0.310 1229 I C -2.205 173.811 176.117 -0.168 0.000 1.010 1229 I CA -2.782 58.315 61.300 -0.338 0.000 1.228 1229 I CB 0.417 38.236 38.000 -0.302 0.000 1.433 1229 I HN 0.143 nan 8.210 nan 0.000 0.573 1230 P HA 0.085 nan 4.420 nan 0.000 0.262 1230 P C -0.746 176.577 177.300 0.040 0.000 1.182 1230 P CA 0.240 63.334 63.100 -0.010 0.000 0.761 1230 P CB 0.607 32.340 31.700 0.055 0.000 0.795 1231 A N 2.752 125.501 122.820 -0.118 0.000 2.263 1231 A HA 0.459 4.779 4.320 -0.000 0.000 0.318 1231 A C 0.800 177.915 177.584 -0.781 0.000 1.111 1231 A CA -0.418 51.472 52.037 -0.245 0.000 0.901 1231 A CB -0.166 18.806 19.000 -0.047 0.000 1.280 1231 A HN 0.419 nan 8.150 nan 0.000 0.503 1232 F N 0.366 119.808 119.950 -0.847 0.000 2.126 1232 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 1232 F C 2.484 178.114 175.800 -0.283 0.000 1.096 1232 F CA 2.460 60.016 58.000 -0.739 0.000 1.255 1232 F CB -0.301 38.603 39.000 -0.159 0.000 0.997 1232 F HN 0.605 nan 8.300 nan 0.000 0.479 1233 G N -1.994 106.846 108.800 0.068 0.000 3.061 1233 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.208 1233 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.208 1233 G C 1.334 176.250 174.900 0.026 0.000 1.175 1233 G CA 0.580 45.742 45.100 0.102 0.000 0.812 1233 G HN 0.296 nan 8.290 nan 0.000 0.523 1234 S N -0.156 115.508 115.700 -0.059 0.000 2.517 1234 S HA 0.214 4.684 4.470 -0.000 0.000 0.214 1234 S C 1.087 175.683 174.600 -0.008 0.000 0.991 1234 S CA -0.489 57.676 58.200 -0.058 0.000 0.906 1234 S CB 0.021 63.170 63.200 -0.085 0.000 0.789 1234 S HN 0.588 nan 8.310 nan 0.000 0.513 1235 I N 0.899 121.492 120.570 0.037 0.000 2.662 1235 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 1235 I C -2.559 173.582 176.117 0.040 0.000 1.046 1235 I CA -2.589 58.763 61.300 0.086 0.000 1.361 1235 I CB 0.061 38.210 38.000 0.249 0.000 1.429 1235 I HN -0.168 nan 8.210 nan 0.000 0.558 1236 P HA -0.022 nan 4.420 nan 0.000 0.262 1236 P C 0.525 177.842 177.300 0.028 0.000 1.182 1236 P CA 0.144 63.193 63.100 -0.085 0.000 0.761 1236 P CB 0.566 32.092 31.700 -0.291 0.000 0.795 1237 T N 1.637 116.236 114.554 0.074 0.000 2.737 1237 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 1237 T C 0.648 175.433 174.700 0.141 0.000 1.040 1237 T CA 1.505 63.683 62.100 0.130 0.000 1.142 1237 T CB -0.129 68.824 68.868 0.143 0.000 0.861 1237 T HN 0.516 nan 8.240 nan 0.000 0.456 1238 E N 0.205 120.470 120.200 0.108 0.000 2.102 1238 E HA 0.340 4.690 4.350 -0.000 0.000 0.263 1238 E C -1.550 175.135 176.600 0.142 0.000 0.894 1238 E CA -0.273 56.201 56.400 0.124 0.000 0.746 1238 E CB 0.960 30.713 29.700 0.089 0.000 1.129 1238 E HN 0.361 nan 8.360 nan 0.000 0.416 1239 F N 4.125 124.099 119.950 0.039 0.000 2.347 1239 F HA 0.374 4.901 4.527 -0.000 0.000 0.366 1239 F C -0.078 175.714 175.800 -0.013 0.000 1.107 1239 F CA -0.882 57.121 58.000 0.005 0.000 1.058 1239 F CB 0.546 39.568 39.000 0.037 0.000 1.236 1239 F HN 0.177 nan 8.300 nan 0.000 0.456 1240 R N 5.138 125.826 120.500 0.314 0.000 2.437 1240 R HA 0.633 4.973 4.340 -0.000 0.000 0.310 1240 R C -1.405 174.951 176.300 0.093 0.000 0.955 1240 R CA -0.880 55.300 56.100 0.134 0.000 0.851 1240 R CB 2.524 32.867 30.300 0.070 0.000 1.161 1240 R HN 0.321 nan 8.270 nan 0.000 0.446 1241 V N 1.625 121.549 119.914 0.018 0.000 2.680 1241 V HA 0.520 4.639 4.120 -0.000 0.000 0.309 1241 V C -0.393 175.708 176.094 0.013 0.000 1.052 1241 V CA -0.659 61.633 62.300 -0.012 0.000 0.908 1241 V CB 2.300 34.067 31.823 -0.093 0.000 1.001 1241 V HN 0.796 nan 8.190 nan 0.000 0.431 1242 S N 4.114 119.826 115.700 0.020 0.000 2.548 1242 S HA 0.692 5.162 4.470 -0.000 0.000 0.276 1242 S C -1.020 173.609 174.600 0.050 0.000 1.129 1242 S CA -0.622 57.603 58.200 0.042 0.000 0.931 1242 S CB 1.638 64.852 63.200 0.024 0.000 1.068 1242 S HN 0.522 nan 8.310 nan 0.000 0.480 1243 L N 2.734 124.002 121.223 0.076 0.000 2.296 1243 L HA 0.472 4.812 4.340 -0.000 0.000 0.286 1243 L C -0.391 176.518 176.870 0.065 0.000 1.023 1243 L CA -1.021 53.863 54.840 0.074 0.000 0.812 1243 L CB 1.076 43.192 42.059 0.096 0.000 1.223 1243 L HN 0.512 nan 8.230 nan 0.000 0.421 1244 L N 4.859 126.118 121.223 0.060 0.000 2.601 1244 L HA 0.028 4.368 4.340 -0.000 0.000 0.277 1244 L C 0.492 177.390 176.870 0.046 0.000 1.219 1244 L CA 0.711 55.582 54.840 0.052 0.000 0.915 1244 L CB 0.023 42.120 42.059 0.063 0.000 1.160 1244 L HN 0.511 nan 8.230 nan 0.000 0.494 1245 R N 3.994 124.513 120.500 0.032 0.000 2.577 1245 R HA 0.242 4.582 4.340 -0.000 0.000 0.269 1245 R C -0.347 175.968 176.300 0.025 0.000 1.084 1245 R CA -0.570 55.544 56.100 0.023 0.000 1.163 1245 R CB 0.251 30.554 30.300 0.005 0.000 1.100 1245 R HN 0.717 nan 8.270 nan 0.000 0.547 1246 D N 0.431 120.842 120.400 0.020 0.000 2.890 1246 D HA -0.153 4.487 4.640 -0.000 0.000 0.226 1246 D C -0.251 176.065 176.300 0.026 0.000 1.207 1246 D CA 0.965 54.977 54.000 0.020 0.000 0.764 1246 D CB -0.980 39.830 40.800 0.016 0.000 0.948 1246 D HN 0.787 nan 8.370 nan 0.000 0.404 1247 C N -1.326 117.992 119.300 0.029 0.000 3.090 1247 C HA 0.272 4.732 4.460 -0.000 0.000 0.227 1247 C C -2.425 172.580 174.990 0.026 0.000 1.753 1247 C CA -1.558 57.481 59.018 0.035 0.000 1.152 1247 C CB 0.234 28.004 27.740 0.051 0.000 2.036 1247 C HN 0.208 nan 8.230 nan 0.000 0.610 1248 P HA 0.055 nan 4.420 nan 0.000 0.262 1248 P C -0.406 176.878 177.300 -0.026 0.000 1.182 1248 P CA 0.919 64.017 63.100 -0.003 0.000 0.761 1248 P CB 0.699 32.400 31.700 0.001 0.000 0.795 1249 N N 3.042 121.703 118.700 -0.066 0.000 2.500 1249 N HA 0.035 4.775 4.740 -0.000 0.000 0.236 1249 N C 1.220 176.632 175.510 -0.163 0.000 1.022 1249 N CA -0.557 52.407 53.050 -0.145 0.000 0.935 1249 N CB 0.478 38.808 38.487 -0.261 0.000 1.147 1249 N HN 0.305 nan 8.380 nan 0.000 0.512 1250 K N 2.546 122.875 120.400 -0.119 0.000 2.519 1250 K HA -0.060 4.260 4.320 -0.000 0.000 0.196 1250 K C 0.451 176.983 176.600 -0.112 0.000 1.041 1250 K CA 0.818 57.046 56.287 -0.097 0.000 0.954 1250 K CB 0.124 32.588 32.500 -0.059 0.000 0.774 1250 K HN 0.257 nan 8.250 nan 0.000 0.480 1251 K N 0.399 120.689 120.400 -0.185 0.000 2.365 1251 K HA 0.136 4.456 4.320 -0.000 0.000 0.197 1251 K C 0.700 177.305 176.600 0.008 0.000 1.042 1251 K CA 0.632 56.859 56.287 -0.099 0.000 0.987 1251 K CB 0.462 32.773 32.500 -0.315 0.000 0.779 1251 K HN 0.322 nan 8.250 nan 0.000 0.484 1252 A N 0.940 123.656 122.820 -0.172 0.000 2.479 1252 A HA 0.499 4.819 4.320 -0.000 0.000 0.296 1252 A C -0.447 177.011 177.584 -0.211 0.000 1.121 1252 A CA -0.859 51.087 52.037 -0.152 0.000 0.743 1252 A CB 0.937 19.869 19.000 -0.113 0.000 1.323 1252 A HN 0.210 nan 8.150 nan 0.000 0.415 1253 I N 0.751 121.153 120.570 -0.280 0.000 2.996 1253 I HA -0.096 4.074 4.170 -0.000 0.000 0.311 1253 I C -0.014 175.977 176.117 -0.211 0.000 1.219 1253 I CA 1.079 62.143 61.300 -0.393 0.000 1.452 1253 I CB -0.154 37.606 38.000 -0.400 0.000 1.319 1253 I HN 0.756 nan 8.210 nan 0.000 0.564 1254 Y N 5.099 125.291 120.300 -0.180 0.000 3.515 1254 Y HA -0.322 4.228 4.550 -0.000 0.000 0.214 1254 Y C 1.335 177.181 175.900 -0.090 0.000 1.166 1254 Y CA 0.494 58.525 58.100 -0.115 0.000 1.435 1254 Y CB -1.745 36.668 38.460 -0.078 0.000 1.414 1254 Y HN 0.946 nan 8.280 nan 0.000 0.608 1255 A N -1.156 121.662 122.820 -0.003 0.000 2.847 1255 A HA -0.250 4.070 4.320 -0.000 0.000 0.263 1255 A C 0.955 178.519 177.584 -0.034 0.000 1.391 1255 A CA 1.041 53.059 52.037 -0.032 0.000 0.866 1255 A CB -1.938 17.063 19.000 0.000 0.000 1.057 1255 A HN 1.208 nan 8.150 nan 0.000 0.673 1256 S N -1.072 114.611 115.700 -0.028 0.000 2.713 1256 S HA 0.835 5.305 4.470 -0.000 0.000 0.277 1256 S C -0.192 174.389 174.600 -0.031 0.000 1.168 1256 S CA -0.162 58.033 58.200 -0.008 0.000 0.994 1256 S CB 1.508 64.721 63.200 0.022 0.000 1.054 1256 S HN 0.619 nan 8.310 nan 0.000 0.555 1257 K N -0.332 120.098 120.400 0.049 0.000 2.508 1257 K HA 0.653 4.973 4.320 -0.000 0.000 0.260 1257 K C -0.921 175.788 176.600 0.181 0.000 0.949 1257 K CA -0.919 55.485 56.287 0.194 0.000 0.834 1257 K CB 2.094 34.739 32.500 0.241 0.000 1.365 1257 K HN 0.815 nan 8.250 nan 0.000 0.437 1258 A N 0.927 123.880 122.820 0.222 0.000 2.540 1258 A HA 0.110 4.430 4.320 -0.000 0.000 0.239 1258 A C 0.584 178.183 177.584 0.025 0.000 1.061 1258 A CA 0.033 52.106 52.037 0.060 0.000 0.758 1258 A CB 0.310 19.296 19.000 -0.023 0.000 0.991 1258 A HN 0.545 nan 8.150 nan 0.000 0.502 1259 V N 2.962 122.873 119.914 -0.006 0.000 3.398 1259 V HA 0.255 4.375 4.120 -0.000 0.000 0.298 1259 V C 1.561 177.628 176.094 -0.045 0.000 1.496 1259 V CA 1.157 63.447 62.300 -0.016 0.000 1.044 1259 V CB -0.187 31.635 31.823 -0.001 0.000 0.880 1259 V HN 1.117 nan 8.190 nan 0.000 0.443 1260 G N 0.556 109.318 108.800 -0.065 0.000 2.524 1260 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 1260 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 1260 G C 1.163 175.996 174.900 -0.111 0.000 1.239 1260 G CA 1.424 46.484 45.100 -0.067 0.000 0.798 1260 G HN 0.586 nan 8.290 nan 0.000 0.557 1261 E N 0.664 120.706 120.200 -0.264 0.000 2.099 1261 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 1261 E C -0.046 176.163 176.600 -0.651 0.000 0.962 1261 E CA 0.213 56.334 56.400 -0.466 0.000 0.826 1261 E CB -0.311 28.971 29.700 -0.696 0.000 0.788 1261 E HN 0.220 nan 8.360 nan 0.000 0.461 1262 P HA -0.230 nan 4.420 nan 0.000 0.225 1262 P C -1.628 175.612 177.300 -0.100 0.000 1.154 1262 P CA 2.416 65.249 63.100 -0.445 0.000 0.933 1262 P CB -0.940 30.680 31.700 -0.133 0.000 0.790 1263 P HA -0.076 nan 4.420 nan 0.000 0.223 1263 P C 1.614 179.007 177.300 0.156 0.000 1.151 1263 P CA 0.741 63.907 63.100 0.111 0.000 0.787 1263 P CB -0.477 31.294 31.700 0.117 0.000 0.788 1264 L N -1.450 119.811 121.223 0.063 0.000 2.081 1264 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 1264 L C 2.190 179.141 176.870 0.134 0.000 1.080 1264 L CA 1.612 56.483 54.840 0.052 0.000 0.754 1264 L CB -0.654 41.390 42.059 -0.025 0.000 0.893 1264 L HN -0.094 nan 8.230 nan 0.000 0.433 1265 F N 0.152 120.162 119.950 0.101 0.000 2.269 1265 F HA -0.175 4.352 4.527 -0.000 0.000 0.301 1265 F C 1.909 177.891 175.800 0.303 0.000 1.082 1265 F CA 1.232 59.380 58.000 0.247 0.000 1.360 1265 F CB -0.313 38.819 39.000 0.221 0.000 1.041 1265 F HN -0.013 nan 8.300 nan 0.000 0.512 1266 L N -0.053 121.253 121.223 0.138 0.000 2.551 1266 L HA -0.157 4.183 4.340 -0.000 0.000 0.230 1266 L C 2.424 179.408 176.870 0.191 0.000 1.163 1266 L CA 0.923 55.855 54.840 0.155 0.000 0.826 1266 L CB -1.388 40.884 42.059 0.355 0.000 0.943 1266 L HN 0.347 nan 8.230 nan 0.000 0.452 1267 G N -0.793 107.965 108.800 -0.070 0.000 2.744 1267 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.211 1267 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.211 1267 G C 1.655 176.540 174.900 -0.025 0.000 1.143 1267 G CA 0.570 45.396 45.100 -0.457 0.000 0.788 1267 G HN 0.442 nan 8.290 nan 0.000 0.534 1268 A N 1.352 124.098 122.820 -0.123 0.000 2.067 1268 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 1268 A C 2.625 180.206 177.584 -0.005 0.000 1.158 1268 A CA 1.863 53.633 52.037 -0.445 0.000 0.661 1268 A CB -0.477 17.917 19.000 -1.011 0.000 0.801 1268 A HN 0.619 nan 8.150 nan 0.000 0.452 1269 S N -0.302 115.438 115.700 0.066 0.000 2.469 1269 S HA -0.102 4.368 4.470 -0.000 0.000 0.238 1269 S C 1.571 176.272 174.600 0.168 0.000 0.998 1269 S CA 1.358 59.668 58.200 0.184 0.000 0.957 1269 S CB -0.671 62.638 63.200 0.181 0.000 0.764 1269 S HN 0.263 nan 8.310 nan 0.000 0.514 1270 V N 0.546 120.531 119.914 0.117 0.000 2.407 1270 V HA 0.026 4.146 4.120 -0.000 0.000 0.245 1270 V C 1.994 178.090 176.094 0.003 0.000 1.041 1270 V CA 1.497 63.841 62.300 0.074 0.000 1.040 1270 V CB -1.003 30.852 31.823 0.053 0.000 0.671 1270 V HN 0.522 nan 8.190 nan 0.000 0.455 1271 F N 0.938 120.779 119.950 -0.183 0.000 2.075 1271 F HA -0.190 4.337 4.527 -0.000 0.000 0.297 1271 F C 2.045 177.620 175.800 -0.376 0.000 1.113 1271 F CA 1.891 59.683 58.000 -0.346 0.000 1.218 1271 F CB -0.386 38.255 39.000 -0.598 0.000 0.984 1271 F HN 0.129 nan 8.300 nan 0.000 0.472 1272 F N 0.106 120.136 119.950 0.133 0.000 2.365 1272 F HA -0.022 4.505 4.527 0.000 0.000 0.300 1272 F C 2.435 178.217 175.800 -0.031 0.000 1.090 1272 F CA 0.713 58.737 58.000 0.039 0.000 1.408 1272 F CB -0.956 38.098 39.000 0.091 0.000 1.060 1272 F HN 0.080 nan 8.300 nan 0.000 0.534 1273 A N 0.348 123.224 122.820 0.093 0.000 1.929 1273 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 1273 A C 2.179 179.741 177.584 -0.037 0.000 1.176 1273 A CA 1.203 53.270 52.037 0.051 0.000 0.628 1273 A CB -0.823 18.208 19.000 0.052 0.000 0.816 1273 A HN 0.381 nan 8.150 nan 0.000 0.444 1274 I N -0.697 119.780 120.570 -0.156 0.000 2.202 1274 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 1274 I C 2.524 178.537 176.117 -0.174 0.000 1.091 1274 I CA 1.575 62.739 61.300 -0.228 0.000 1.368 1274 I CB -0.255 37.497 38.000 -0.413 0.000 1.058 1274 I HN 0.318 nan 8.210 nan 0.000 0.410 1275 K N 0.850 121.109 120.400 -0.236 0.000 2.074 1275 K HA -0.297 4.023 4.320 -0.000 0.000 0.209 1275 K C 1.763 178.422 176.600 0.099 0.000 1.048 1275 K CA 2.285 58.535 56.287 -0.061 0.000 0.926 1275 K CB -0.169 32.258 32.500 -0.121 0.000 0.713 1275 K HN 0.195 nan 8.250 nan 0.000 0.444 1276 D N -0.265 120.174 120.400 0.065 0.000 2.123 1276 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 1276 D C 1.617 177.961 176.300 0.073 0.000 0.992 1276 D CA 1.530 55.584 54.000 0.090 0.000 0.833 1276 D CB -0.008 40.841 40.800 0.082 0.000 0.954 1276 D HN 0.328 nan 8.370 nan 0.000 0.455 1277 A N -0.066 122.776 122.820 0.036 0.000 1.930 1277 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 1277 A C 2.392 179.987 177.584 0.019 0.000 1.175 1277 A CA 0.900 52.954 52.037 0.029 0.000 0.627 1277 A CB -0.682 18.324 19.000 0.011 0.000 0.815 1277 A HN 0.364 nan 8.150 nan 0.000 0.443 1278 I N -0.740 119.837 120.570 0.012 0.000 2.361 1278 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 1278 I C 2.739 178.823 176.117 -0.055 0.000 1.133 1278 I CA 1.079 62.348 61.300 -0.051 0.000 1.413 1278 I CB -0.329 37.621 38.000 -0.084 0.000 1.073 1278 I HN 0.316 nan 8.210 nan 0.000 0.424 1279 R N 0.856 121.424 120.500 0.113 0.000 2.070 1279 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 1279 R C 2.519 178.838 176.300 0.031 0.000 1.137 1279 R CA 1.588 57.777 56.100 0.148 0.000 0.945 1279 R CB -0.623 29.802 30.300 0.209 0.000 0.845 1279 R HN 0.347 nan 8.270 nan 0.000 0.430 1280 A N 1.518 124.351 122.820 0.021 0.000 1.917 1280 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 1280 A C 2.413 179.947 177.584 -0.084 0.000 1.182 1280 A CA 2.045 54.070 52.037 -0.020 0.000 0.633 1280 A CB -0.747 18.254 19.000 0.003 0.000 0.819 1280 A HN 0.451 nan 8.150 nan 0.000 0.448 1281 A N -0.248 122.523 122.820 -0.082 0.000 1.845 1281 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 1281 A C 2.213 179.704 177.584 -0.154 0.000 1.195 1281 A CA 1.669 53.633 52.037 -0.122 0.000 0.616 1281 A CB -0.572 18.394 19.000 -0.055 0.000 0.832 1281 A HN 0.557 nan 8.150 nan 0.000 0.443 1282 R N -0.480 119.943 120.500 -0.128 0.000 2.139 1282 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 1282 R C 2.227 178.471 176.300 -0.093 0.000 1.145 1282 R CA 1.206 57.236 56.100 -0.116 0.000 0.976 1282 R CB -0.471 29.733 30.300 -0.161 0.000 0.866 1282 R HN 0.525 nan 8.270 nan 0.000 0.449 1283 A N 0.400 123.165 122.820 -0.091 0.000 2.119 1283 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 1283 A C 2.003 179.497 177.584 -0.151 0.000 1.153 1283 A CA 0.981 52.969 52.037 -0.082 0.000 0.692 1283 A CB -0.134 18.834 19.000 -0.053 0.000 0.799 1283 A HN 0.262 nan 8.150 nan 0.000 0.458 1284 Q N -0.844 118.794 119.800 -0.270 0.000 2.089 1284 Q HA -0.058 4.282 4.340 -0.000 0.000 0.195 1284 Q C 1.185 176.859 176.000 -0.543 0.000 0.963 1284 Q CA 1.942 57.446 55.803 -0.497 0.000 0.834 1284 Q CB -0.095 28.163 28.738 -0.801 0.000 0.906 1284 Q HN 0.812 nan 8.270 nan 0.000 0.452 1285 H N -1.938 117.066 119.070 -0.110 0.000 3.170 1285 H HA 0.356 4.912 4.556 -0.000 0.000 0.264 1285 H C 0.080 175.378 175.328 -0.049 0.000 1.113 1285 H CA 0.203 56.203 56.048 -0.080 0.000 1.194 1285 H CB 1.097 30.817 29.762 -0.071 0.000 1.553 1285 H HN 0.078 nan 8.280 nan 0.000 0.538 1286 T N -0.210 114.358 114.554 0.024 0.000 2.886 1286 T HA 0.095 4.445 4.350 -0.000 0.000 0.259 1286 T C 0.635 175.335 174.700 0.000 0.000 1.125 1286 T CA -0.883 61.224 62.100 0.012 0.000 0.988 1286 T CB 0.252 69.113 68.868 -0.012 0.000 2.203 1286 T HN 0.169 nan 8.240 nan 0.000 0.552 1287 N N 2.435 121.137 118.700 0.003 0.000 2.119 1287 N HA -0.044 4.696 4.740 -0.000 0.000 0.211 1287 N C 0.100 175.613 175.510 0.006 0.000 1.334 1287 N CA 0.397 53.455 53.050 0.012 0.000 0.880 1287 N CB 0.031 38.535 38.487 0.029 0.000 1.067 1287 N HN 0.481 nan 8.380 nan 0.000 0.436 1288 N N -0.173 118.534 118.700 0.013 0.000 2.240 1288 N HA -0.022 4.718 4.740 -0.000 0.000 0.240 1288 N C -0.806 174.715 175.510 0.019 0.000 1.277 1288 N CA -0.219 52.836 53.050 0.008 0.000 0.873 1288 N CB 0.024 38.513 38.487 0.003 0.000 1.222 1288 N HN 0.441 nan 8.380 nan 0.000 0.507 1289 N N 1.229 119.948 118.700 0.031 0.000 2.558 1289 N HA 0.127 4.867 4.740 -0.000 0.000 0.233 1289 N C 0.845 176.387 175.510 0.053 0.000 1.038 1289 N CA 0.071 53.146 53.050 0.042 0.000 0.934 1289 N CB 0.619 39.136 38.487 0.049 0.000 1.175 1289 N HN -0.122 nan 8.380 nan 0.000 0.512 1290 T N 2.496 117.077 114.554 0.045 0.000 2.802 1290 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 1290 T C 0.614 175.354 174.700 0.067 0.000 1.062 1290 T CA 1.496 63.627 62.100 0.052 0.000 1.133 1290 T CB -0.023 68.871 68.868 0.042 0.000 0.852 1290 T HN 0.552 nan 8.240 nan 0.000 0.485 1291 K N 1.307 121.748 120.400 0.068 0.000 2.699 1291 K HA 0.220 4.540 4.320 -0.000 0.000 0.210 1291 K C 0.161 176.812 176.600 0.085 0.000 1.076 1291 K CA -0.197 56.136 56.287 0.076 0.000 1.109 1291 K CB 0.617 33.160 32.500 0.071 0.000 0.862 1291 K HN 0.391 nan 8.250 nan 0.000 0.470 1292 E N 1.846 122.108 120.200 0.104 0.000 2.354 1292 E HA 0.094 4.444 4.350 -0.000 0.000 0.269 1292 E C -0.849 175.833 176.600 0.137 0.000 1.036 1292 E CA -0.172 56.304 56.400 0.127 0.000 0.876 1292 E CB 0.673 30.467 29.700 0.156 0.000 1.009 1292 E HN 0.214 nan 8.360 nan 0.000 0.416 1293 L N 6.614 127.905 121.223 0.113 0.000 2.337 1293 L HA 0.324 4.664 4.340 -0.000 0.000 0.269 1293 L C -0.511 176.401 176.870 0.070 0.000 1.018 1293 L CA -0.959 53.903 54.840 0.037 0.000 0.876 1293 L CB 0.061 42.148 42.059 0.046 0.000 1.236 1293 L HN 0.444 nan 8.230 nan 0.000 0.436 1294 F N 0.634 120.634 119.950 0.083 0.000 2.394 1294 F HA 0.598 5.125 4.527 -0.000 0.000 0.340 1294 F C 0.378 176.241 175.800 0.105 0.000 1.105 1294 F CA -1.131 56.917 58.000 0.080 0.000 1.124 1294 F CB 0.597 39.631 39.000 0.058 0.000 1.145 1294 F HN 0.344 nan 8.300 nan 0.000 0.505 1295 R N 3.945 124.589 120.500 0.239 0.000 2.347 1295 R HA 0.530 4.870 4.340 -0.000 0.000 0.304 1295 R C -1.682 174.796 176.300 0.296 0.000 1.072 1295 R CA -0.626 55.597 56.100 0.204 0.000 0.980 1295 R CB 0.754 31.175 30.300 0.201 0.000 0.986 1295 R HN 0.905 nan 8.270 nan 0.000 0.448 1296 L N 5.208 126.593 121.223 0.271 0.000 2.427 1296 L HA 0.391 4.731 4.340 -0.000 0.000 0.264 1296 L C -1.343 175.801 176.870 0.458 0.000 0.989 1296 L CA -0.475 54.566 54.840 0.336 0.000 0.865 1296 L CB 1.401 43.631 42.059 0.285 0.000 1.209 1296 L HN 0.697 nan 8.230 nan 0.000 0.430 1297 D N 1.484 122.127 120.400 0.405 0.000 2.411 1297 D HA 0.260 4.900 4.640 -0.000 0.000 0.251 1297 D C -0.358 176.210 176.300 0.446 0.000 1.201 1297 D CA -0.099 54.165 54.000 0.441 0.000 0.996 1297 D CB 1.442 42.486 40.800 0.406 0.000 1.101 1297 D HN 0.439 nan 8.370 nan 0.000 0.504 1298 S N 0.110 115.953 115.700 0.238 0.000 2.489 1298 S HA 0.496 4.966 4.470 -0.000 0.000 0.291 1298 S C -2.635 172.005 174.600 0.068 0.000 1.151 1298 S CA -1.438 56.748 58.200 -0.024 0.000 1.082 1298 S CB 1.152 63.990 63.200 -0.604 0.000 1.019 1298 S HN 0.170 nan 8.310 nan 0.000 0.492 1299 P HA 0.295 nan 4.420 nan 0.000 0.286 1299 P C -1.253 176.151 177.300 0.173 0.000 1.261 1299 P CA -0.625 62.517 63.100 0.071 0.000 0.821 1299 P CB 1.049 32.742 31.700 -0.012 0.000 1.013 1300 A N 2.570 125.551 122.820 0.269 0.000 2.990 1300 A HA 0.331 4.651 4.320 -0.000 0.000 0.282 1300 A C 1.030 178.609 177.584 -0.008 0.000 1.688 1300 A CA -0.135 51.972 52.037 0.116 0.000 1.391 1300 A CB -1.521 17.419 19.000 -0.100 0.000 1.112 1300 A HN 0.614 nan 8.150 nan 0.000 0.588 1301 T N -0.686 113.861 114.554 -0.012 0.000 2.754 1301 T HA 0.326 4.676 4.350 -0.000 0.000 0.286 1301 T C -1.283 173.341 174.700 -0.126 0.000 0.997 1301 T CA -1.080 60.990 62.100 -0.050 0.000 0.982 1301 T CB 0.563 69.403 68.868 -0.046 0.000 1.027 1301 T HN 0.295 nan 8.240 nan 0.000 0.529 1302 P HA -0.115 nan 4.420 nan 0.000 0.222 1302 P C 1.236 178.139 177.300 -0.662 0.000 1.147 1302 P CA 1.084 64.076 63.100 -0.180 0.000 0.790 1302 P CB 0.145 31.855 31.700 0.016 0.000 0.780 1303 E N 1.089 120.774 120.200 -0.858 0.000 2.046 1303 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 1303 E C 1.910 178.132 176.600 -0.631 0.000 0.982 1303 E CA 0.996 56.575 56.400 -1.369 0.000 0.800 1303 E CB -0.131 29.179 29.700 -0.651 0.000 0.756 1303 E HN 0.137 nan 8.360 nan 0.000 0.449 1304 K N 0.289 120.503 120.400 -0.310 0.000 2.097 1304 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 1304 K C 2.289 178.804 176.600 -0.143 0.000 1.050 1304 K CA 1.141 57.342 56.287 -0.143 0.000 0.938 1304 K CB -0.060 32.423 32.500 -0.029 0.000 0.718 1304 K HN 0.239 nan 8.250 nan 0.000 0.442 1305 I N 0.638 121.103 120.570 -0.175 0.000 2.142 1305 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 1305 I C 2.615 178.668 176.117 -0.107 0.000 1.078 1305 I CA 1.040 62.258 61.300 -0.136 0.000 1.343 1305 I CB -0.169 37.756 38.000 -0.124 0.000 1.046 1305 I HN 0.064 nan 8.210 nan 0.000 0.405 1306 R N 1.650 122.072 120.500 -0.130 0.000 2.073 1306 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 1306 R C 1.917 178.223 176.300 0.010 0.000 1.134 1306 R CA 1.802 57.900 56.100 -0.003 0.000 0.952 1306 R CB -0.564 29.822 30.300 0.143 0.000 0.850 1306 R HN 0.288 nan 8.270 nan 0.000 0.433 1307 N N 0.052 118.723 118.700 -0.048 0.000 2.364 1307 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 1307 N C 1.025 176.517 175.510 -0.030 0.000 1.022 1307 N CA 1.366 54.413 53.050 -0.006 0.000 0.883 1307 N CB -0.180 38.296 38.487 -0.018 0.000 0.965 1307 N HN 0.391 nan 8.380 nan 0.000 0.438 1308 A N -0.816 121.958 122.820 -0.077 0.000 2.218 1308 A HA 0.096 4.416 4.320 -0.000 0.000 0.209 1308 A C 0.843 178.317 177.584 -0.184 0.000 1.168 1308 A CA -0.014 51.926 52.037 -0.161 0.000 0.804 1308 A CB -0.004 18.864 19.000 -0.219 0.000 0.834 1308 A HN 0.285 nan 8.150 nan 0.000 0.482 1309 C N 2.265 121.522 119.300 -0.072 0.000 2.560 1309 C HA 0.427 4.887 4.460 -0.000 0.000 0.506 1309 C C 0.588 175.615 174.990 0.063 0.000 1.116 1309 C CA -1.144 57.869 59.018 -0.009 0.000 1.425 1309 C CB -1.948 25.830 27.740 0.063 0.000 1.543 1309 C HN 0.381 nan 8.230 nan 0.000 0.586 1310 V N 2.829 122.753 119.914 0.017 0.000 2.673 1310 V HA 0.372 4.492 4.120 -0.000 0.000 0.303 1310 V C 0.066 176.223 176.094 0.105 0.000 1.046 1310 V CA 0.408 62.737 62.300 0.048 0.000 1.126 1310 V CB 0.208 32.035 31.823 0.007 0.000 0.934 1310 V HN 0.833 nan 8.190 nan 0.000 0.487 1311 D N 1.941 122.400 120.400 0.098 0.000 2.768 1311 D HA 0.250 4.890 4.640 -0.000 0.000 0.327 1311 D C 0.550 176.801 176.300 -0.082 0.000 1.302 1311 D CA -0.496 53.540 54.000 0.060 0.000 0.897 1311 D CB 0.852 41.755 40.800 0.172 0.000 1.420 1311 D HN 0.420 nan 8.370 nan 0.000 0.494 1312 K N -0.438 119.787 120.400 -0.291 0.000 2.360 1312 K HA -0.089 4.231 4.320 -0.000 0.000 0.201 1312 K C 0.965 177.263 176.600 -0.504 0.000 1.046 1312 K CA 1.260 57.279 56.287 -0.447 0.000 0.940 1312 K CB -0.544 31.575 32.500 -0.634 0.000 0.748 1312 K HN 0.323 nan 8.250 nan 0.000 0.465 1313 F N 2.254 122.132 119.950 -0.120 0.000 2.164 1313 F HA -0.077 4.450 4.527 -0.000 0.000 0.287 1313 F C 2.961 178.721 175.800 -0.067 0.000 1.086 1313 F CA 1.230 59.160 58.000 -0.117 0.000 1.249 1313 F CB -0.869 38.041 39.000 -0.150 0.000 1.059 1313 F HN 0.115 nan 8.300 nan 0.000 0.490 1314 T N -2.934 111.711 114.554 0.151 0.000 2.881 1314 T HA -0.141 4.209 4.350 -0.000 0.000 0.270 1314 T C 1.754 176.474 174.700 0.033 0.000 1.068 1314 T CA 1.851 64.002 62.100 0.085 0.000 1.131 1314 T CB -0.884 68.034 68.868 0.083 0.000 0.871 1314 T HN 0.163 nan 8.240 nan 0.000 0.479 1315 T N 2.019 116.574 114.554 0.000 0.000 2.671 1315 T HA 0.255 4.605 4.350 -0.000 0.000 0.250 1315 T C 0.996 175.672 174.700 -0.039 0.000 1.068 1315 T CA 0.178 62.261 62.100 -0.027 0.000 1.177 1315 T CB -0.262 68.574 68.868 -0.053 0.000 0.876 1315 T HN 0.131 nan 8.240 nan 0.000 0.405 1327 P HA 0.031 nan 4.420 nan 0.000 0.271 1327 P C 0.659 178.033 177.300 0.123 0.000 1.216 1327 P CA -0.445 62.705 63.100 0.083 0.000 0.776 1327 P CB 0.590 32.323 31.700 0.055 0.000 0.881 1328 W N 3.151 124.447 121.300 -0.007 0.000 2.332 1328 W HA -0.132 4.528 4.660 -0.000 0.000 0.321 1328 W C 0.721 177.236 176.519 -0.006 0.000 1.219 1328 W CA 1.943 59.285 57.345 -0.006 0.000 1.277 1328 W CB -0.433 29.023 29.460 -0.005 0.000 1.161 1328 W HN 0.564 nan 8.180 nan 0.000 0.476 1329 S N -0.023 115.696 115.700 0.032 0.000 2.638 1329 S HA 0.549 5.019 4.470 -0.000 0.000 0.302 1329 S C -0.517 174.061 174.600 -0.038 0.000 1.096 1329 S CA -1.012 57.090 58.200 -0.163 0.000 0.953 1329 S CB 2.029 65.147 63.200 -0.136 0.000 1.107 1329 S HN 0.224 nan 8.310 nan 0.000 0.503 1330 L N 0.265 121.447 121.223 -0.068 0.000 2.798 1330 L HA 0.636 4.976 4.340 -0.000 0.000 0.230 1330 L C 1.201 178.060 176.870 -0.018 0.000 1.868 1330 L CA -0.824 53.997 54.840 -0.032 0.000 2.126 1330 L CB 1.397 43.428 42.059 -0.045 0.000 2.569 1330 L HN 0.998 nan 8.230 nan 0.000 0.592 1331 R N -0.911 119.578 120.500 -0.018 0.000 3.275 1331 R HA 0.236 4.576 4.340 -0.000 0.000 0.154 1331 R C 0.153 176.442 176.300 -0.018 0.000 0.843 1331 R CA 0.626 56.720 56.100 -0.011 0.000 1.027 1331 R CB 0.714 31.012 30.300 -0.003 0.000 1.423 1331 R HN 0.446 nan 8.270 nan 0.000 0.530 1332 V N 0.000 119.903 119.914 -0.019 0.000 2.409 1332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1332 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 1332 V CB 0.000 31.806 31.823 -0.029 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556