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 1vdv_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 FTTLCVTGAP GNCKPWSLRV 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 0.000 177.557 177.584 -0.046 0.000 1.274 3 A CA 0.000 51.975 52.037 -0.103 0.000 0.836 3 A CB 0.000 18.909 19.000 -0.151 0.000 0.831 4 D N 0.901 121.306 120.400 0.009 0.000 4.742 4 D HA -0.218 4.423 4.640 0.001 0.000 0.284 4 D C 0.695 177.194 176.300 0.331 0.000 1.470 4 D CA 2.056 56.157 54.000 0.167 0.000 0.932 4 D CB -0.468 40.401 40.800 0.115 0.000 0.901 4 D HN 0.687 nan 8.370 nan 0.000 0.689 5 E N -0.053 120.284 120.200 0.228 0.000 2.415 5 E HA 0.111 4.462 4.350 0.001 0.000 0.260 5 E C -0.302 176.496 176.600 0.330 0.000 1.016 5 E CA -0.286 56.253 56.400 0.231 0.000 0.924 5 E CB 0.530 30.335 29.700 0.174 0.000 0.961 5 E HN 0.065 nan 8.360 nan 0.000 0.459 6 L N 5.394 126.745 121.223 0.214 0.000 2.264 6 L HA 0.307 4.647 4.340 0.001 0.000 0.289 6 L C -1.238 175.829 176.870 0.328 0.000 1.044 6 L CA -0.471 54.500 54.840 0.219 0.000 0.807 6 L CB 1.377 43.267 42.059 -0.281 0.000 1.192 6 L HN 0.207 nan 8.230 nan 0.000 0.425 7 V N 7.146 127.382 119.914 0.536 0.000 2.444 7 V HA 0.621 4.741 4.120 0.001 0.000 0.294 7 V C -0.374 175.880 176.094 0.267 0.000 1.022 7 V CA -0.406 62.035 62.300 0.235 0.000 0.850 7 V CB 0.983 32.934 31.823 0.213 0.000 0.992 7 V HN 0.743 nan 8.190 nan 0.000 0.426 8 F N 2.788 122.708 119.950 -0.050 0.000 2.789 8 F HA 0.891 5.419 4.527 0.001 0.000 0.319 8 F C -1.900 173.841 175.800 -0.100 0.000 1.168 8 F CA -1.384 56.652 58.000 0.060 0.000 0.934 8 F CB 1.467 40.501 39.000 0.056 0.000 1.375 8 F HN 0.234 nan 8.300 nan 0.000 0.480 9 F N 0.863 120.844 119.950 0.051 0.000 2.546 9 F HA 0.759 5.286 4.527 0.000 0.000 0.320 9 F C -0.640 175.176 175.800 0.027 0.000 1.076 9 F CA -1.350 56.594 58.000 -0.094 0.000 0.928 9 F CB 2.284 41.212 39.000 -0.119 0.000 1.189 9 F HN 0.372 nan 8.300 nan 0.000 0.465 10 V N 2.873 122.842 119.914 0.092 0.000 2.447 10 V HA 0.296 4.416 4.120 0.001 0.000 0.292 10 V C -0.621 175.509 176.094 0.060 0.000 1.021 10 V CA -1.295 61.068 62.300 0.105 0.000 0.850 10 V CB 1.331 33.202 31.823 0.080 0.000 1.005 10 V HN 0.820 nan 8.190 nan 0.000 0.426 11 N N 4.075 122.809 118.700 0.058 0.000 2.727 11 N HA -0.216 4.524 4.740 0.001 0.000 0.249 11 N C 1.225 176.755 175.510 0.032 0.000 1.048 11 N CA 1.657 54.721 53.050 0.022 0.000 0.714 11 N CB -1.075 37.410 38.487 -0.003 0.000 0.959 11 N HN 1.560 nan 8.380 nan 0.000 0.544 12 G N -1.058 107.781 108.800 0.065 0.000 2.234 12 G HA2 -0.385 3.576 3.960 0.001 0.000 0.260 12 G HA3 -0.385 3.576 3.960 0.001 0.000 0.260 12 G C 0.052 175.059 174.900 0.178 0.000 0.987 12 G CA 0.884 46.029 45.100 0.075 0.000 0.625 12 G HN 0.677 nan 8.290 nan 0.000 0.532 13 K N 1.056 121.521 120.400 0.109 0.000 2.201 13 K HA 0.492 4.812 4.320 0.001 0.000 0.278 13 K C 0.411 176.889 176.600 -0.205 0.000 1.027 13 K CA -0.719 55.571 56.287 0.004 0.000 0.909 13 K CB 0.599 33.065 32.500 -0.057 0.000 1.062 13 K HN 0.171 nan 8.250 nan 0.000 0.465 14 K N 3.129 123.258 120.400 -0.452 0.000 2.350 14 K HA 0.143 4.463 4.320 0.001 0.000 0.279 14 K C -1.165 175.013 176.600 -0.703 0.000 1.027 14 K CA -0.442 55.168 56.287 -1.129 0.000 0.969 14 K CB 0.853 32.811 32.500 -0.905 0.000 0.954 14 K HN 0.309 nan 8.250 nan 0.000 0.474 15 V N 4.888 124.304 119.914 -0.830 0.000 2.487 15 V HA 0.289 4.409 4.120 0.001 0.000 0.298 15 V C -0.799 175.000 176.094 -0.492 0.000 1.028 15 V CA -0.929 60.988 62.300 -0.639 0.000 0.860 15 V CB 1.850 33.092 31.823 -0.968 0.000 0.991 15 V HN 0.525 nan 8.190 nan 0.000 0.427 16 V N 3.782 123.540 119.914 -0.260 0.000 2.326 16 V HA 0.440 4.561 4.120 0.001 0.000 0.281 16 V C -0.301 175.767 176.094 -0.043 0.000 1.015 16 V CA -0.590 61.638 62.300 -0.120 0.000 0.823 16 V CB 1.597 33.376 31.823 -0.074 0.000 1.009 16 V HN 0.910 nan 8.190 nan 0.000 0.436 17 E N 3.939 124.136 120.200 -0.004 0.000 2.055 17 E HA 0.345 4.695 4.350 0.001 0.000 0.274 17 E C 0.704 177.321 176.600 0.029 0.000 0.949 17 E CA -0.198 56.222 56.400 0.033 0.000 0.775 17 E CB 1.196 30.901 29.700 0.008 0.000 1.097 17 E HN 0.515 nan 8.360 nan 0.000 0.404 18 K N 2.876 123.302 120.400 0.043 0.000 2.365 18 K HA 0.101 4.422 4.320 0.001 0.000 0.199 18 K C 0.007 176.642 176.600 0.059 0.000 1.045 18 K CA 0.529 56.850 56.287 0.056 0.000 0.962 18 K CB 0.289 32.819 32.500 0.049 0.000 0.759 18 K HN 0.342 nan 8.250 nan 0.000 0.469 19 N N 0.709 119.434 118.700 0.041 0.000 2.672 19 N HA 0.139 4.880 4.740 0.001 0.000 0.295 19 N C -1.334 174.175 175.510 -0.002 0.000 1.924 19 N CA -0.115 52.959 53.050 0.039 0.000 0.851 19 N CB 1.486 40.002 38.487 0.047 0.000 1.281 19 N HN 0.015 nan 8.380 nan 0.000 0.494 20 A N 0.695 123.461 122.820 -0.091 0.000 2.524 20 A HA 0.056 4.376 4.320 0.001 0.000 0.250 20 A C 0.267 177.750 177.584 -0.167 0.000 1.078 20 A CA 0.259 52.153 52.037 -0.239 0.000 0.761 20 A CB 0.351 18.979 19.000 -0.620 0.000 1.012 20 A HN 0.258 nan 8.150 nan 0.000 0.500 21 D N 3.291 123.615 120.400 -0.127 0.000 2.232 21 D HA 0.321 4.961 4.640 0.001 0.000 0.242 21 D C -1.809 174.420 176.300 -0.118 0.000 1.093 21 D CA -1.844 52.120 54.000 -0.060 0.000 0.845 21 D CB 1.624 42.413 40.800 -0.018 0.000 1.124 21 D HN 0.140 nan 8.370 nan 0.000 0.467 22 P HA -0.110 nan 4.420 nan 0.000 0.218 22 P C 0.479 177.775 177.300 -0.007 0.000 1.146 22 P CA 1.100 64.180 63.100 -0.034 0.000 0.813 22 P CB 0.315 32.184 31.700 0.283 0.000 0.778 23 E N -1.691 118.520 120.200 0.018 0.000 2.481 23 E HA 0.013 4.363 4.350 0.001 0.000 0.195 23 E C 0.079 176.664 176.600 -0.025 0.000 1.047 23 E CA 0.352 56.765 56.400 0.021 0.000 0.867 23 E CB -0.321 29.394 29.700 0.025 0.000 0.858 23 E HN 0.221 nan 8.360 nan 0.000 0.513 24 T N 2.327 116.841 114.554 -0.067 0.000 2.779 24 T HA 0.094 4.444 4.350 0.001 0.000 0.296 24 T C 0.381 175.031 174.700 -0.085 0.000 0.938 24 T CA -0.186 61.878 62.100 -0.060 0.000 1.119 24 T CB 0.940 69.780 68.868 -0.046 0.000 0.891 24 T HN 0.145 nan 8.240 nan 0.000 0.526 25 T N 1.466 115.999 114.554 -0.034 0.000 2.899 25 T HA 0.329 4.679 4.350 0.001 0.000 0.284 25 T C 1.366 176.058 174.700 -0.014 0.000 1.004 25 T CA -1.017 61.065 62.100 -0.030 0.000 1.043 25 T CB 0.795 69.669 68.868 0.010 0.000 1.013 25 T HN 0.257 nan 8.240 nan 0.000 0.518 26 L N 1.551 122.753 121.223 -0.036 0.000 2.083 26 L HA 0.053 4.394 4.340 0.001 0.000 0.209 26 L C 2.152 179.067 176.870 0.076 0.000 1.083 26 L CA 1.589 56.426 54.840 -0.006 0.000 0.752 26 L CB -1.356 40.676 42.059 -0.045 0.000 0.899 26 L HN 0.793 nan 8.230 nan 0.000 0.433 27 L N 0.023 121.278 121.223 0.054 0.000 2.012 27 L HA -0.127 4.214 4.340 0.001 0.000 0.210 27 L C 2.512 179.419 176.870 0.060 0.000 1.073 27 L CA 2.228 57.102 54.840 0.056 0.000 0.748 27 L CB -1.180 40.909 42.059 0.051 0.000 0.891 27 L HN 0.282 nan 8.230 nan 0.000 0.431 28 A N -1.659 121.194 122.820 0.056 0.000 1.902 28 A HA -0.278 4.043 4.320 0.001 0.000 0.217 28 A C 2.298 179.917 177.584 0.059 0.000 1.181 28 A CA 1.821 53.880 52.037 0.037 0.000 0.623 28 A CB -1.204 17.804 19.000 0.014 0.000 0.818 28 A HN 0.615 nan 8.150 nan 0.000 0.443 29 Y N 0.334 120.623 120.300 -0.018 0.000 2.181 29 Y HA -0.148 4.402 4.550 0.001 0.000 0.288 29 Y C 2.075 177.987 175.900 0.021 0.000 1.146 29 Y CA 1.791 59.894 58.100 0.004 0.000 1.164 29 Y CB -0.235 38.240 38.460 0.026 0.000 0.982 29 Y HN 0.230 nan 8.280 nan 0.000 0.515 30 L N -0.577 120.730 121.223 0.139 0.000 2.017 30 L HA -0.254 4.087 4.340 0.001 0.000 0.208 30 L C 2.531 179.393 176.870 -0.013 0.000 1.073 30 L CA 1.720 56.600 54.840 0.067 0.000 0.745 30 L CB -0.467 41.641 42.059 0.081 0.000 0.894 30 L HN 0.128 nan 8.230 nan 0.000 0.432 31 R N -0.414 120.083 120.500 -0.005 0.000 2.073 31 R HA -0.045 4.296 4.340 0.001 0.000 0.229 31 R C 2.312 178.589 176.300 -0.038 0.000 1.120 31 R CA 1.000 57.093 56.100 -0.012 0.000 0.967 31 R CB -0.109 30.200 30.300 0.015 0.000 0.862 31 R HN 0.343 nan 8.270 nan 0.000 0.436 32 R N -0.294 120.167 120.500 -0.064 0.000 2.237 32 R HA 0.063 4.404 4.340 0.001 0.000 0.195 32 R C 1.793 178.002 176.300 -0.153 0.000 0.956 32 R CA 0.552 56.604 56.100 -0.080 0.000 1.029 32 R CB 0.219 30.477 30.300 -0.069 0.000 0.972 32 R HN -0.100 nan 8.270 nan 0.000 0.493 33 K N 0.568 120.797 120.400 -0.285 0.000 2.329 33 K HA 0.198 4.519 4.320 0.001 0.000 0.198 33 K C 1.394 177.790 176.600 -0.339 0.000 1.085 33 K CA 0.630 56.669 56.287 -0.414 0.000 0.961 33 K CB 0.474 32.434 32.500 -0.900 0.000 0.971 33 K HN -0.003 nan 8.250 nan 0.000 0.502 34 L N -0.487 120.561 121.223 -0.292 0.000 2.585 34 L HA 0.314 4.654 4.340 0.001 0.000 0.226 34 L C 0.743 177.553 176.870 -0.100 0.000 1.113 34 L CA 0.378 55.119 54.840 -0.166 0.000 0.876 34 L CB 0.094 42.097 42.059 -0.094 0.000 1.072 34 L HN 0.464 nan 8.230 nan 0.000 0.468 35 G N 1.466 110.211 108.800 -0.092 0.000 2.198 35 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 35 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 35 G C 0.073 174.947 174.900 -0.043 0.000 1.025 35 G CA -0.036 45.026 45.100 -0.063 0.000 0.769 35 G HN 0.279 nan 8.290 nan 0.000 0.507 36 L N -0.053 121.150 121.223 -0.033 0.000 2.360 36 L HA 0.422 4.762 4.340 0.001 0.000 0.265 36 L C 1.489 178.353 176.870 -0.011 0.000 1.066 36 L CA -0.725 54.104 54.840 -0.019 0.000 0.929 36 L CB 0.827 42.882 42.059 -0.008 0.000 1.306 36 L HN 0.149 nan 8.230 nan 0.000 0.434 37 R N 1.015 121.511 120.500 -0.008 0.000 2.335 37 R HA 0.097 4.437 4.340 0.001 0.000 0.223 37 R C 1.857 178.157 176.300 -0.001 0.000 0.940 37 R CA 0.337 56.440 56.100 0.004 0.000 1.086 37 R CB 0.229 30.540 30.300 0.019 0.000 1.073 37 R HN 0.726 nan 8.270 nan 0.000 0.504 38 G N 0.594 109.387 108.800 -0.013 0.000 2.421 38 G HA2 -0.142 3.819 3.960 0.001 0.000 0.217 38 G HA3 -0.142 3.819 3.960 0.001 0.000 0.217 38 G C 0.527 175.385 174.900 -0.070 0.000 1.143 38 G CA 0.358 45.443 45.100 -0.026 0.000 0.784 38 G HN 0.177 nan 8.290 nan 0.000 0.541 39 T N 2.335 116.854 114.554 -0.058 0.000 2.794 39 T HA 0.435 4.785 4.350 0.001 0.000 0.296 39 T C -0.063 174.573 174.700 -0.108 0.000 0.949 39 T CA -0.214 61.844 62.100 -0.070 0.000 1.101 39 T CB 1.493 70.347 68.868 -0.023 0.000 0.905 39 T HN -0.006 nan 8.240 nan 0.000 0.516 40 K N 1.991 122.274 120.400 -0.195 0.000 2.185 40 K HA 0.541 4.861 4.320 0.001 0.000 0.240 40 K C -0.654 175.908 176.600 -0.064 0.000 0.983 40 K CA -1.142 54.986 56.287 -0.265 0.000 0.873 40 K CB 1.825 33.786 32.500 -0.898 0.000 1.118 40 K HN 0.378 nan 8.250 nan 0.000 0.441 41 L N 0.494 121.759 121.223 0.070 0.000 2.272 41 L HA 0.469 4.810 4.340 0.001 0.000 0.289 41 L C 0.669 177.698 176.870 0.265 0.000 1.032 41 L CA 0.530 55.461 54.840 0.152 0.000 0.810 41 L CB 1.182 43.331 42.059 0.149 0.000 1.205 41 L HN 0.833 nan 8.230 nan 0.000 0.422 42 G N 2.148 111.090 108.800 0.236 0.000 2.727 42 G HA2 0.116 4.077 3.960 0.001 0.000 0.207 42 G HA3 0.116 4.077 3.960 0.001 0.000 0.207 42 G C 0.689 175.707 174.900 0.197 0.000 1.060 42 G CA 0.677 45.938 45.100 0.267 0.000 0.814 42 G HN 0.902 nan 8.290 nan 0.000 0.576 43 C N -3.640 115.789 119.300 0.215 0.000 4.914 43 C HA 0.522 4.982 4.460 0.001 0.000 0.505 43 C C 2.018 177.182 174.990 0.290 0.000 1.350 43 C CA 0.633 59.792 59.018 0.235 0.000 2.421 43 C CB 0.159 28.068 27.740 0.281 0.000 3.334 43 C HN 1.506 nan 8.230 nan 0.000 0.512 44 G N 2.685 111.642 108.800 0.261 0.000 2.175 44 G HA2 -0.296 3.665 3.960 0.001 0.000 0.265 44 G HA3 -0.296 3.665 3.960 0.001 0.000 0.265 44 G C 0.226 175.372 174.900 0.411 0.000 0.979 44 G CA 1.246 46.521 45.100 0.291 0.000 0.663 44 G HN 1.150 nan 8.290 nan 0.000 0.533 45 E N -1.593 118.797 120.200 0.317 0.000 2.758 45 E HA 0.458 4.808 4.350 0.001 0.000 0.215 45 E C 1.455 178.148 176.600 0.156 0.000 0.985 45 E CA 0.207 56.740 56.400 0.222 0.000 1.102 45 E CB 0.290 29.959 29.700 -0.051 0.000 1.042 45 E HN 1.432 nan 8.360 nan 0.000 0.480 46 G N 0.714 109.619 108.800 0.176 0.000 2.184 46 G HA2 -0.330 3.630 3.960 0.001 0.000 0.264 46 G HA3 -0.330 3.630 3.960 0.001 0.000 0.264 46 G C 0.855 175.844 174.900 0.149 0.000 0.975 46 G CA 0.103 45.296 45.100 0.155 0.000 0.642 46 G HN 0.593 nan 8.290 nan 0.000 0.536 47 G N -0.847 108.049 108.800 0.159 0.000 3.126 47 G HA2 0.312 4.272 3.960 0.001 0.000 0.224 47 G HA3 0.312 4.272 3.960 0.001 0.000 0.224 47 G C 1.493 176.511 174.900 0.196 0.000 1.142 47 G CA 1.582 46.776 45.100 0.156 0.000 0.759 47 G HN 1.484 nan 8.290 nan 0.000 0.550 48 C N -2.815 116.626 119.300 0.235 0.000 3.270 48 C HA 0.563 5.024 4.460 0.001 0.000 0.369 48 C C 2.162 177.306 174.990 0.257 0.000 1.326 48 C CA 0.692 59.877 59.018 0.278 0.000 1.846 48 C CB -0.033 27.924 27.740 0.361 0.000 2.534 48 C HN 1.040 nan 8.230 nan 0.000 0.649 49 G N 1.148 110.077 108.800 0.214 0.000 2.168 49 G HA2 -0.170 3.790 3.960 0.001 0.000 0.263 49 G HA3 -0.170 3.790 3.960 0.001 0.000 0.263 49 G C 1.220 176.219 174.900 0.166 0.000 0.977 49 G CA 0.822 46.038 45.100 0.193 0.000 0.659 49 G HN 1.533 nan 8.290 nan 0.000 0.533 50 A N -0.313 122.600 122.820 0.156 0.000 2.067 50 A HA 0.142 4.462 4.320 0.001 0.000 0.219 50 A C 2.451 180.045 177.584 0.016 0.000 1.158 50 A CA 2.302 54.384 52.037 0.075 0.000 0.661 50 A CB -0.771 18.276 19.000 0.078 0.000 0.801 50 A HN 1.807 nan 8.150 nan 0.000 0.452 51 C N -1.731 117.604 119.300 0.060 0.000 2.614 51 C HA 0.365 4.825 4.460 0.001 0.000 0.299 51 C C 0.789 175.810 174.990 0.051 0.000 1.293 51 C CA -0.506 58.537 59.018 0.042 0.000 1.713 51 C CB -2.174 25.607 27.740 0.068 0.000 1.890 51 C HN 0.312 nan 8.230 nan 0.000 0.602 52 T N 2.801 117.394 114.554 0.065 0.000 2.902 52 T HA 0.418 4.769 4.350 0.001 0.000 0.301 52 T C 0.308 175.030 174.700 0.037 0.000 1.012 52 T CA 0.830 62.970 62.100 0.067 0.000 1.151 52 T CB 0.709 69.633 68.868 0.094 0.000 0.946 52 T HN 0.961 nan 8.240 nan 0.000 0.542 53 V N 1.142 121.072 119.914 0.027 0.000 3.181 53 V HA 0.765 4.886 4.120 0.001 0.000 0.308 53 V C -0.730 175.355 176.094 -0.015 0.000 1.214 53 V CA -1.464 60.837 62.300 0.001 0.000 1.053 53 V CB 2.355 34.178 31.823 0.000 0.000 1.069 53 V HN 0.855 nan 8.190 nan 0.000 0.441 54 M N 2.027 121.610 119.600 -0.028 0.000 2.404 54 M HA 0.706 5.186 4.480 0.001 0.000 0.338 54 M C -1.829 174.393 176.300 -0.130 0.000 1.150 54 M CA -0.695 54.571 55.300 -0.058 0.000 1.016 54 M CB 1.604 34.228 32.600 0.040 0.000 1.672 54 M HN 0.750 nan 8.290 nan 0.000 0.448 55 L N 2.828 123.837 121.223 -0.358 0.000 2.365 55 L HA 0.622 4.963 4.340 0.001 0.000 0.273 55 L C -0.772 175.874 176.870 -0.374 0.000 1.000 55 L CA -0.618 53.957 54.840 -0.442 0.000 0.819 55 L CB 2.324 43.904 42.059 -0.799 0.000 1.284 55 L HN 0.693 nan 8.230 nan 0.000 0.418 56 S N 2.079 117.778 115.700 -0.002 0.000 2.536 56 S HA 0.724 5.194 4.470 0.001 0.000 0.287 56 S C -1.109 173.702 174.600 0.352 0.000 1.101 56 S CA -0.859 57.472 58.200 0.219 0.000 0.950 56 S CB 2.330 65.837 63.200 0.512 0.000 1.056 56 S HN 0.664 nan 8.310 nan 0.000 0.481 57 K N 0.670 121.220 120.400 0.250 0.000 2.579 57 K HA 0.437 4.758 4.320 0.001 0.000 0.284 57 K C -1.926 174.678 176.600 0.005 0.000 0.990 57 K CA -0.986 55.474 56.287 0.290 0.000 0.880 57 K CB 0.989 33.673 32.500 0.307 0.000 1.488 57 K HN 0.488 nan 8.250 nan 0.000 0.425 58 Y N 2.059 122.323 120.300 -0.059 0.000 2.404 58 Y HA 0.208 4.759 4.550 0.002 0.000 0.344 58 Y C -0.734 175.118 175.900 -0.081 0.000 0.995 58 Y CA -0.404 57.585 58.100 -0.186 0.000 1.201 58 Y CB 0.939 39.323 38.460 -0.126 0.000 1.151 58 Y HN 0.698 nan 8.280 nan 0.000 0.517 59 D N 5.837 125.820 120.400 -0.695 0.000 2.380 59 D HA 0.101 4.742 4.640 0.001 0.000 0.230 59 D C 1.071 176.884 176.300 -0.812 0.000 1.154 59 D CA -0.257 53.421 54.000 -0.538 0.000 0.859 59 D CB 0.874 41.479 40.800 -0.326 0.000 1.045 59 D HN 0.735 nan 8.370 nan 0.000 0.495 60 R N 3.773 123.928 120.500 -0.574 0.000 2.083 60 R HA -0.120 4.221 4.340 0.001 0.000 0.237 60 R C 1.530 177.697 176.300 -0.222 0.000 1.137 60 R CA 1.460 57.348 56.100 -0.354 0.000 0.951 60 R CB -0.827 29.423 30.300 -0.084 0.000 0.851 60 R HN 0.453 nan 8.270 nan 0.000 0.434 61 L N 0.682 121.800 121.223 -0.174 0.000 2.191 61 L HA -0.086 4.255 4.340 0.001 0.000 0.212 61 L C 1.997 178.790 176.870 -0.129 0.000 1.103 61 L CA 1.774 56.543 54.840 -0.118 0.000 0.769 61 L CB -0.414 41.590 42.059 -0.091 0.000 0.908 61 L HN 0.337 nan 8.230 nan 0.000 0.438 62 Q N -1.811 117.876 119.800 -0.188 0.000 2.281 62 Q HA 0.035 4.376 4.340 0.001 0.000 0.215 62 Q C -0.133 175.762 176.000 -0.175 0.000 0.867 62 Q CA 0.039 55.744 55.803 -0.163 0.000 0.940 62 Q CB 0.572 29.211 28.738 -0.165 0.000 1.111 62 Q HN 0.243 nan 8.270 nan 0.000 0.513 63 D N 1.770 122.015 120.400 -0.260 0.000 2.735 63 D HA -0.192 4.449 4.640 0.001 0.000 0.235 63 D C -0.811 175.426 176.300 -0.105 0.000 1.175 63 D CA 1.257 55.166 54.000 -0.152 0.000 0.683 63 D CB -0.671 40.134 40.800 0.009 0.000 1.008 63 D HN 0.249 nan 8.370 nan 0.000 0.416 64 K N 0.518 120.747 120.400 -0.285 0.000 2.597 64 K HA 0.373 4.693 4.320 0.001 0.000 0.282 64 K C -0.960 175.486 176.600 -0.257 0.000 0.975 64 K CA -0.964 55.222 56.287 -0.168 0.000 0.867 64 K CB 0.878 33.288 32.500 -0.151 0.000 1.465 64 K HN -0.039 nan 8.250 nan 0.000 0.417 65 I N 5.060 125.478 120.570 -0.253 0.000 2.371 65 I HA 0.258 4.429 4.170 0.001 0.000 0.290 65 I C 0.456 176.296 176.117 -0.461 0.000 1.028 65 I CA -0.354 60.678 61.300 -0.447 0.000 1.345 65 I CB 0.247 37.900 38.000 -0.578 0.000 1.407 65 I HN 0.511 nan 8.210 nan 0.000 0.501 66 I N 4.386 124.709 120.570 -0.411 0.000 2.530 66 I HA 0.541 4.711 4.170 0.001 0.000 0.297 66 I C -0.755 175.194 176.117 -0.279 0.000 1.011 66 I CA -0.594 60.538 61.300 -0.281 0.000 1.107 66 I CB 2.225 40.181 38.000 -0.072 0.000 1.285 66 I HN 0.379 nan 8.210 nan 0.000 0.436 67 H N 6.026 125.172 119.070 0.127 0.000 2.529 67 H HA 0.646 5.202 4.556 0.001 0.000 0.348 67 H C -1.193 174.251 175.328 0.194 0.000 1.079 67 H CA -0.440 55.661 56.048 0.087 0.000 1.198 67 H CB 1.969 31.729 29.762 -0.003 0.000 1.521 67 H HN 0.745 nan 8.280 nan 0.000 0.514 68 F N -0.594 119.424 119.950 0.114 0.000 2.668 68 F HA 0.521 5.049 4.527 0.001 0.000 0.309 68 F C -0.388 175.446 175.800 0.056 0.000 1.117 68 F CA -1.217 56.813 58.000 0.050 0.000 0.951 68 F CB 1.109 40.122 39.000 0.021 0.000 1.323 68 F HN 0.385 nan 8.300 nan 0.000 0.451 69 S N 1.444 117.238 115.700 0.158 0.000 2.672 69 S HA 0.952 5.423 4.470 0.001 0.000 0.276 69 S C -0.530 174.159 174.600 0.148 0.000 1.207 69 S CA -0.003 58.238 58.200 0.069 0.000 1.002 69 S CB 1.490 64.724 63.200 0.056 0.000 0.998 69 S HN 1.852 nan 8.310 nan 0.000 0.542 70 A N 1.324 124.198 122.820 0.090 0.000 2.605 70 A HA 0.594 4.915 4.320 0.001 0.000 0.294 70 A C -1.286 176.355 177.584 0.095 0.000 1.062 70 A CA -1.032 51.082 52.037 0.128 0.000 0.682 70 A CB 0.882 19.967 19.000 0.142 0.000 1.278 70 A HN 0.766 nan 8.150 nan 0.000 0.410 71 N N 1.488 120.254 118.700 0.111 0.000 2.411 71 N HA 0.338 5.078 4.740 0.001 0.000 0.259 71 N C 1.166 176.729 175.510 0.087 0.000 1.103 71 N CA 0.584 53.697 53.050 0.104 0.000 0.954 71 N CB 1.719 40.280 38.487 0.123 0.000 1.085 71 N HN 0.795 nan 8.380 nan 0.000 0.485 72 A N 1.772 124.633 122.820 0.068 0.000 2.070 72 A HA -0.164 4.157 4.320 0.001 0.000 0.220 72 A C 2.197 179.817 177.584 0.059 0.000 1.159 72 A CA 1.092 53.160 52.037 0.051 0.000 0.656 72 A CB -0.570 18.455 19.000 0.043 0.000 0.800 72 A HN 0.878 nan 8.150 nan 0.000 0.453 73 C N -2.376 116.973 119.300 0.082 0.000 2.456 73 C HA 0.326 4.787 4.460 0.001 0.000 0.279 73 C C 1.887 176.936 174.990 0.099 0.000 1.427 73 C CA 0.564 59.637 59.018 0.092 0.000 1.778 73 C CB -1.377 26.436 27.740 0.121 0.000 1.842 73 C HN 0.444 nan 8.230 nan 0.000 0.531 74 L N 0.508 121.794 121.223 0.104 0.000 2.731 74 L HA 0.368 4.709 4.340 0.001 0.000 0.240 74 L C 1.423 178.351 176.870 0.097 0.000 1.120 74 L CA 0.167 55.077 54.840 0.115 0.000 0.913 74 L CB -0.117 42.025 42.059 0.139 0.000 1.213 74 L HN 0.227 nan 8.230 nan 0.000 0.515 75 A N 1.599 124.460 122.820 0.068 0.000 2.350 75 A HA 0.494 4.814 4.320 0.001 0.000 0.293 75 A C -2.422 175.147 177.584 -0.025 0.000 1.231 75 A CA -1.146 50.915 52.037 0.040 0.000 0.883 75 A CB -0.357 18.659 19.000 0.026 0.000 1.133 75 A HN -0.101 nan 8.150 nan 0.000 0.533 76 P HA 0.137 nan 4.420 nan 0.000 0.276 76 P C 1.168 178.275 177.300 -0.321 0.000 1.235 76 P CA -0.380 62.627 63.100 -0.156 0.000 0.772 76 P CB 0.621 32.248 31.700 -0.123 0.000 0.871 77 I N -0.148 120.171 120.570 -0.418 0.000 2.567 77 I HA -0.205 3.965 4.170 0.001 0.000 0.257 77 I C 1.070 176.772 176.117 -0.692 0.000 1.184 77 I CA 1.406 62.340 61.300 -0.610 0.000 1.451 77 I CB -0.899 36.670 38.000 -0.719 0.000 1.089 77 I HN 0.164 nan 8.210 nan 0.000 0.441 78 C N 1.940 120.749 119.300 -0.818 0.000 2.466 78 C HA -0.032 4.428 4.460 0.001 0.000 0.283 78 C C 2.751 177.365 174.990 -0.627 0.000 1.472 78 C CA 1.422 59.809 59.018 -1.053 0.000 1.765 78 C CB -1.796 24.858 27.740 -1.810 0.000 1.724 78 C HN 0.736 nan 8.230 nan 0.000 0.560 79 T N -2.661 111.677 114.554 -0.359 0.000 3.086 79 T HA 0.202 4.552 4.350 0.001 0.000 0.250 79 T C 0.998 175.730 174.700 0.053 0.000 1.074 79 T CA 0.443 62.551 62.100 0.014 0.000 0.988 79 T CB -0.267 68.677 68.868 0.126 0.000 0.988 79 T HN 0.472 nan 8.240 nan 0.000 0.530 80 L N 0.715 121.875 121.223 -0.105 0.000 2.653 80 L HA 0.355 4.696 4.340 0.001 0.000 0.231 80 L C 0.731 177.681 176.870 0.133 0.000 1.153 80 L CA -0.594 54.204 54.840 -0.070 0.000 0.933 80 L CB -0.800 40.985 42.059 -0.457 0.000 1.175 80 L HN 0.295 nan 8.230 nan 0.000 0.473 81 H N 1.032 120.217 119.070 0.191 0.000 3.125 81 H HA -0.055 4.501 4.556 0.000 0.000 0.310 81 H C 0.483 176.090 175.328 0.464 0.000 0.980 81 H CA 0.794 57.050 56.048 0.345 0.000 1.422 81 H CB -0.166 29.862 29.762 0.443 0.000 1.432 81 H HN 0.208 nan 8.280 nan 0.000 0.577 82 H N 1.069 120.126 119.070 -0.021 0.000 2.862 82 H HA -0.161 4.395 4.556 0.001 0.000 0.290 82 H C -0.718 174.738 175.328 0.213 0.000 1.211 82 H CA 0.194 56.281 56.048 0.064 0.000 1.140 82 H CB -1.360 28.396 29.762 -0.010 0.000 1.341 82 H HN 0.179 nan 8.280 nan 0.000 0.392 83 V N 0.165 120.306 119.914 0.378 0.000 2.667 83 V HA 0.691 4.811 4.120 0.001 0.000 0.308 83 V C 0.214 176.489 176.094 0.302 0.000 1.048 83 V CA -0.198 62.288 62.300 0.311 0.000 0.928 83 V CB 1.942 33.910 31.823 0.241 0.000 1.004 83 V HN 0.375 nan 8.190 nan 0.000 0.444 84 A N 3.860 126.807 122.820 0.213 0.000 2.258 84 A HA 0.756 5.077 4.320 0.001 0.000 0.316 84 A C -0.620 177.053 177.584 0.148 0.000 1.279 84 A CA -0.420 51.708 52.037 0.151 0.000 0.876 84 A CB 0.801 19.760 19.000 -0.069 0.000 1.170 84 A HN 0.628 nan 8.150 nan 0.000 0.520 85 V N 2.325 122.347 119.914 0.181 0.000 2.539 85 V HA 0.564 4.685 4.120 0.001 0.000 0.292 85 V C 0.334 176.474 176.094 0.078 0.000 1.045 85 V CA -0.157 62.211 62.300 0.113 0.000 0.945 85 V CB 1.690 33.607 31.823 0.158 0.000 0.993 85 V HN 0.880 nan 8.190 nan 0.000 0.464 86 T N 2.953 117.525 114.554 0.029 0.000 2.847 86 T HA 0.533 4.884 4.350 0.001 0.000 0.291 86 T C 0.079 174.748 174.700 -0.052 0.000 0.998 86 T CA -0.507 61.584 62.100 -0.014 0.000 0.967 86 T CB 1.440 70.297 68.868 -0.018 0.000 0.954 86 T HN 0.959 nan 8.240 nan 0.000 0.441 87 T N -0.661 113.855 114.554 -0.063 0.000 2.889 87 T HA 0.479 4.830 4.350 0.001 0.000 0.278 87 T C 1.560 176.183 174.700 -0.129 0.000 0.995 87 T CA -0.612 61.447 62.100 -0.069 0.000 0.966 87 T CB 1.029 69.879 68.868 -0.031 0.000 1.237 87 T HN 0.176 nan 8.240 nan 0.000 0.591 88 V N 1.467 121.319 119.914 -0.104 0.000 2.392 88 V HA -0.145 3.976 4.120 0.001 0.000 0.249 88 V C 2.613 178.638 176.094 -0.115 0.000 1.059 88 V CA 2.505 64.732 62.300 -0.121 0.000 1.051 88 V CB -1.046 30.738 31.823 -0.064 0.000 0.658 88 V HN 0.954 nan 8.190 nan 0.000 0.455 89 E N 0.084 120.238 120.200 -0.078 0.000 2.418 89 E HA -0.052 4.298 4.350 0.001 0.000 0.197 89 E C 1.994 178.548 176.600 -0.076 0.000 1.026 89 E CA 1.150 57.514 56.400 -0.061 0.000 0.862 89 E CB -0.614 29.063 29.700 -0.038 0.000 0.799 89 E HN 0.632 nan 8.360 nan 0.000 0.518 90 G N 2.055 110.789 108.800 -0.109 0.000 2.880 90 G HA2 0.059 4.019 3.960 0.001 0.000 0.209 90 G HA3 0.059 4.019 3.960 0.001 0.000 0.209 90 G C 1.603 176.404 174.900 -0.165 0.000 1.157 90 G CA 0.403 45.436 45.100 -0.112 0.000 0.779 90 G HN 0.437 nan 8.290 nan 0.000 0.539 91 I N -3.633 116.789 120.570 -0.247 0.000 4.070 91 I HA 0.589 4.759 4.170 0.001 0.000 0.328 91 I C 0.706 176.779 176.117 -0.074 0.000 1.298 91 I CA 0.166 61.289 61.300 -0.295 0.000 1.173 91 I CB 0.829 38.364 38.000 -0.775 0.000 1.051 91 I HN 0.063 nan 8.210 nan 0.000 0.409 92 G N 0.851 109.621 108.800 -0.051 0.000 2.321 92 G HA2 0.445 4.406 3.960 0.001 0.000 0.298 92 G HA3 0.445 4.406 3.960 0.001 0.000 0.298 92 G C -1.273 173.628 174.900 0.002 0.000 1.385 92 G CA 0.019 45.126 45.100 0.013 0.000 0.856 92 G HN 0.600 nan 8.290 nan 0.000 0.584 93 S N -2.433 113.276 115.700 0.015 0.000 2.615 93 S HA 0.639 5.109 4.470 0.001 0.000 0.268 93 S C 0.936 175.546 174.600 0.017 0.000 1.146 93 S CA 0.892 59.099 58.200 0.011 0.000 0.818 93 S CB 1.035 64.235 63.200 0.001 0.000 1.111 93 S HN 2.178 nan 8.310 nan 0.000 0.465 94 T N -0.824 113.740 114.554 0.017 0.000 3.035 94 T HA 0.097 4.448 4.350 0.001 0.000 0.268 94 T C 1.201 175.908 174.700 0.012 0.000 1.109 94 T CA 0.895 63.007 62.100 0.019 0.000 1.119 94 T CB -0.526 68.356 68.868 0.024 0.000 0.900 94 T HN 0.654 nan 8.240 nan 0.000 0.503 95 K N 1.017 121.420 120.400 0.006 0.000 2.228 95 K HA 0.030 4.351 4.320 0.001 0.000 0.202 95 K C 2.386 178.987 176.600 0.002 0.000 1.051 95 K CA 1.530 57.817 56.287 0.000 0.000 0.960 95 K CB 0.001 32.498 32.500 -0.005 0.000 0.743 95 K HN 0.659 nan 8.250 nan 0.000 0.458 96 T N -1.741 112.817 114.554 0.006 0.000 3.556 96 T HA 0.171 4.522 4.350 0.001 0.000 0.204 96 T C 0.232 174.940 174.700 0.014 0.000 0.896 96 T CA -0.473 61.631 62.100 0.008 0.000 1.380 96 T CB 0.143 69.016 68.868 0.007 0.000 1.584 96 T HN 0.017 nan 8.240 nan 0.000 0.411 97 R N -0.118 120.394 120.500 0.019 0.000 2.561 97 R HA 0.546 4.886 4.340 0.001 0.000 0.266 97 R C -1.753 174.569 176.300 0.036 0.000 1.091 97 R CA -0.715 55.400 56.100 0.025 0.000 0.927 97 R CB 1.383 31.697 30.300 0.023 0.000 1.240 97 R HN 0.416 nan 8.270 nan 0.000 0.449 98 L N 3.841 125.087 121.223 0.038 0.000 2.397 98 L HA 0.260 4.601 4.340 0.001 0.000 0.271 98 L C 0.721 177.641 176.870 0.083 0.000 1.148 98 L CA -0.461 54.413 54.840 0.057 0.000 0.825 98 L CB 0.648 42.732 42.059 0.042 0.000 1.117 98 L HN 0.547 nan 8.230 nan 0.000 0.456 99 H N 4.484 123.570 119.070 0.027 0.000 2.629 99 H HA 0.115 4.671 4.556 0.001 0.000 0.357 99 H C -1.933 173.449 175.328 0.091 0.000 1.121 99 H CA -1.620 54.464 56.048 0.059 0.000 1.406 99 H CB 1.902 31.693 29.762 0.050 0.000 1.456 99 H HN 0.330 nan 8.280 nan 0.000 0.579 100 P HA -0.219 nan 4.420 nan 0.000 0.218 100 P C 1.722 179.235 177.300 0.354 0.000 1.154 100 P CA 1.227 64.363 63.100 0.061 0.000 0.872 100 P CB 0.254 32.002 31.700 0.080 0.000 0.790 101 V N -0.564 119.736 119.914 0.643 0.000 2.287 101 V HA -0.300 3.820 4.120 0.001 0.000 0.248 101 V C 2.442 178.791 176.094 0.425 0.000 1.053 101 V CA 1.957 64.596 62.300 0.565 0.000 1.027 101 V CB -1.248 30.767 31.823 0.320 0.000 0.646 101 V HN 0.216 nan 8.190 nan 0.000 0.447 102 Q N -0.443 119.529 119.800 0.287 0.000 2.079 102 Q HA -0.229 4.111 4.340 0.001 0.000 0.200 102 Q C 2.348 178.386 176.000 0.063 0.000 0.974 102 Q CA 1.700 57.600 55.803 0.161 0.000 0.840 102 Q CB -0.195 28.611 28.738 0.115 0.000 0.898 102 Q HN 0.751 nan 8.270 nan 0.000 0.430 103 E N 1.258 121.467 120.200 0.015 0.000 2.051 103 E HA -0.206 4.145 4.350 0.001 0.000 0.192 103 E C 1.976 178.390 176.600 -0.310 0.000 0.991 103 E CA 0.889 57.218 56.400 -0.117 0.000 0.799 103 E CB 0.144 29.764 29.700 -0.134 0.000 0.748 103 E HN 0.243 nan 8.360 nan 0.000 0.449 104 R N 0.264 120.521 120.500 -0.406 0.000 2.075 104 R HA -0.051 4.290 4.340 0.001 0.000 0.232 104 R C 2.618 178.652 176.300 -0.442 0.000 1.126 104 R CA 1.274 56.941 56.100 -0.721 0.000 0.963 104 R CB -0.418 29.498 30.300 -0.639 0.000 0.858 104 R HN 0.322 nan 8.270 nan 0.000 0.435 105 I N 0.720 121.170 120.570 -0.199 0.000 2.394 105 I HA -0.205 3.965 4.170 0.001 0.000 0.251 105 I C 2.178 178.153 176.117 -0.238 0.000 1.136 105 I CA 0.962 62.077 61.300 -0.309 0.000 1.425 105 I CB -0.032 37.883 38.000 -0.141 0.000 1.079 105 I HN 0.151 nan 8.210 nan 0.000 0.425 106 A N 0.744 123.462 122.820 -0.171 0.000 1.854 106 A HA -0.181 4.139 4.320 0.001 0.000 0.214 106 A C 2.279 179.737 177.584 -0.210 0.000 1.192 106 A CA 1.451 53.409 52.037 -0.131 0.000 0.611 106 A CB -0.467 18.494 19.000 -0.065 0.000 0.832 106 A HN 0.344 nan 8.150 nan 0.000 0.442 107 K N 0.600 120.847 120.400 -0.255 0.000 2.211 107 K HA -0.079 4.242 4.320 0.001 0.000 0.203 107 K C 1.915 178.185 176.600 -0.551 0.000 1.050 107 K CA 1.393 57.520 56.287 -0.266 0.000 0.945 107 K CB -0.133 32.345 32.500 -0.037 0.000 0.732 107 K HN 0.626 nan 8.250 nan 0.000 0.451 108 S N -0.236 115.070 115.700 -0.656 0.000 2.593 108 S HA -0.035 4.436 4.470 0.001 0.000 0.217 108 S C -0.005 174.338 174.600 -0.427 0.000 0.966 108 S CA -0.182 57.473 58.200 -0.910 0.000 0.914 108 S CB -0.285 62.268 63.200 -1.079 0.000 0.776 108 S HN 0.304 nan 8.310 nan 0.000 0.523 109 H N -0.799 118.201 119.070 -0.116 0.000 2.941 109 H HA -0.129 4.428 4.556 0.001 0.000 0.279 109 H C 0.946 176.227 175.328 -0.079 0.000 1.247 109 H CA 0.575 56.595 56.048 -0.048 0.000 1.129 109 H CB -1.910 27.856 29.762 0.006 0.000 1.313 109 H HN 0.605 nan 8.280 nan 0.000 0.384 110 G N -0.196 108.546 108.800 -0.097 0.000 3.088 110 G HA2 0.186 4.147 3.960 0.001 0.000 0.212 110 G HA3 0.186 4.147 3.960 0.001 0.000 0.212 110 G C 0.457 175.309 174.900 -0.080 0.000 1.173 110 G CA 0.765 45.792 45.100 -0.121 0.000 0.779 110 G HN 0.342 nan 8.290 nan 0.000 0.540 111 S N -0.904 114.769 115.700 -0.045 0.000 2.647 111 S HA 0.505 4.975 4.470 0.001 0.000 0.300 111 S C 0.341 174.907 174.600 -0.057 0.000 1.129 111 S CA -0.640 57.534 58.200 -0.043 0.000 1.029 111 S CB 1.806 64.977 63.200 -0.049 0.000 1.007 111 S HN 0.332 nan 8.310 nan 0.000 0.484 112 Q N 1.666 121.439 119.800 -0.044 0.000 2.558 112 Q HA 0.095 4.436 4.340 0.001 0.000 0.186 112 Q C 2.229 178.173 176.000 -0.092 0.000 0.894 112 Q CA 0.849 56.629 55.803 -0.037 0.000 0.830 112 Q CB -0.435 28.330 28.738 0.044 0.000 1.107 112 Q HN 0.964 nan 8.270 nan 0.000 0.620 113 C N -0.481 118.834 119.300 0.024 0.000 2.446 113 C HA 0.341 4.802 4.460 0.001 0.000 0.279 113 C C 1.728 176.827 174.990 0.183 0.000 1.366 113 C CA 0.455 59.524 59.018 0.085 0.000 1.763 113 C CB -0.991 26.810 27.740 0.102 0.000 1.929 113 C HN 0.884 nan 8.230 nan 0.000 0.509 114 G N -0.568 108.310 108.800 0.130 0.000 2.179 114 G HA2 -0.353 3.608 3.960 0.001 0.000 0.260 114 G HA3 -0.353 3.608 3.960 0.001 0.000 0.260 114 G C 0.411 175.426 174.900 0.191 0.000 0.977 114 G CA 0.493 45.696 45.100 0.171 0.000 0.641 114 G HN 0.551 nan 8.290 nan 0.000 0.533 115 F N 1.290 121.197 119.950 -0.073 0.000 2.293 115 F HA 0.016 4.543 4.527 0.001 0.000 0.300 115 F C 2.769 178.518 175.800 -0.086 0.000 1.086 115 F CA 2.137 59.963 58.000 -0.289 0.000 1.375 115 F CB -0.159 38.619 39.000 -0.371 0.000 1.045 115 F HN 0.603 nan 8.300 nan 0.000 0.516 116 C N -2.156 117.207 119.300 0.105 0.000 2.673 116 C HA 0.136 4.597 4.460 0.001 0.000 0.264 116 C C 2.422 177.465 174.990 0.088 0.000 1.304 116 C CA 0.575 59.655 59.018 0.103 0.000 1.727 116 C CB -1.435 26.409 27.740 0.173 0.000 1.932 116 C HN 0.331 nan 8.230 nan 0.000 0.563 117 T N 3.027 117.621 114.554 0.067 0.000 2.684 117 T HA -0.088 4.263 4.350 0.001 0.000 0.267 117 T C -0.379 174.373 174.700 0.087 0.000 1.036 117 T CA 2.454 64.605 62.100 0.086 0.000 1.148 117 T CB -1.363 67.545 68.868 0.068 0.000 0.863 117 T HN 0.442 nan 8.240 nan 0.000 0.436 118 P HA -0.032 nan 4.420 nan 0.000 0.215 118 P C 1.813 179.143 177.300 0.049 0.000 1.157 118 P CA 1.216 64.326 63.100 0.017 0.000 0.868 118 P CB -0.505 31.169 31.700 -0.045 0.000 0.788 119 G N -0.519 108.313 108.800 0.054 0.000 2.422 119 G HA2 -0.230 3.730 3.960 0.001 0.000 0.218 119 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 119 G C 1.518 176.535 174.900 0.194 0.000 1.146 119 G CA 0.547 45.710 45.100 0.105 0.000 0.769 119 G HN 0.238 nan 8.290 nan 0.000 0.547 120 I N 0.075 120.795 120.570 0.249 0.000 2.353 120 I HA -0.084 4.086 4.170 0.001 0.000 0.248 120 I C 2.708 179.068 176.117 0.405 0.000 1.119 120 I CA 0.155 61.687 61.300 0.387 0.000 1.417 120 I CB -0.018 38.189 38.000 0.345 0.000 1.078 120 I HN 0.015 nan 8.210 nan 0.000 0.421 121 V N 0.627 120.711 119.914 0.282 0.000 2.287 121 V HA -0.301 3.820 4.120 0.001 0.000 0.248 121 V C 2.497 178.667 176.094 0.127 0.000 1.053 121 V CA 1.598 64.033 62.300 0.225 0.000 1.027 121 V CB -0.410 31.496 31.823 0.139 0.000 0.646 121 V HN 0.368 nan 8.190 nan 0.000 0.447 122 M N -0.759 118.898 119.600 0.096 0.000 2.229 122 M HA -0.071 4.409 4.480 0.001 0.000 0.264 122 M C 2.356 178.705 176.300 0.082 0.000 1.063 122 M CA 1.346 56.684 55.300 0.064 0.000 1.114 122 M CB -1.428 31.188 32.600 0.027 0.000 1.387 122 M HN 0.314 nan 8.290 nan 0.000 0.420 123 S N 0.498 116.265 115.700 0.111 0.000 2.368 123 S HA -0.110 4.360 4.470 0.001 0.000 0.224 123 S C 1.852 176.372 174.600 -0.134 0.000 1.029 123 S CA 1.232 59.439 58.200 0.012 0.000 0.988 123 S CB -0.192 63.057 63.200 0.082 0.000 0.838 123 S HN 0.385 nan 8.310 nan 0.000 0.462 124 M N 0.569 120.143 119.600 -0.044 0.000 2.099 124 M HA -0.053 4.428 4.480 0.001 0.000 0.262 124 M C 1.751 177.877 176.300 -0.289 0.000 1.067 124 M CA 1.474 56.611 55.300 -0.273 0.000 1.124 124 M CB -0.835 31.464 32.600 -0.501 0.000 1.353 124 M HN 0.388 nan 8.290 nan 0.000 0.410 125 Y N 0.339 120.465 120.300 -0.290 0.000 2.128 125 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 125 Y C 2.071 177.811 175.900 -0.266 0.000 1.154 125 Y CA 2.570 60.480 58.100 -0.316 0.000 1.149 125 Y CB -0.894 37.379 38.460 -0.311 0.000 0.976 125 Y HN 0.304 nan 8.280 nan 0.000 0.505 126 T N 1.229 115.697 114.554 -0.144 0.000 2.720 126 T HA -0.225 4.125 4.350 0.001 0.000 0.268 126 T C 1.802 176.355 174.700 -0.244 0.000 1.037 126 T CA 1.525 63.518 62.100 -0.179 0.000 1.144 126 T CB -0.732 68.102 68.868 -0.055 0.000 0.864 126 T HN 0.347 nan 8.240 nan 0.000 0.444 127 L N 1.110 122.177 121.223 -0.260 0.000 2.012 127 L HA -0.013 4.327 4.340 0.001 0.000 0.210 127 L C 2.136 178.839 176.870 -0.279 0.000 1.073 127 L CA 1.676 56.362 54.840 -0.257 0.000 0.748 127 L CB -0.775 41.101 42.059 -0.304 0.000 0.891 127 L HN 0.260 nan 8.230 nan 0.000 0.431 128 L N -0.865 120.130 121.223 -0.381 0.000 2.191 128 L HA -0.140 4.200 4.340 0.001 0.000 0.212 128 L C 2.559 179.210 176.870 -0.364 0.000 1.103 128 L CA 0.561 55.166 54.840 -0.391 0.000 0.769 128 L CB -0.604 41.152 42.059 -0.505 0.000 0.908 128 L HN 0.245 nan 8.230 nan 0.000 0.438 129 R N -0.131 120.091 120.500 -0.464 0.000 2.189 129 R HA -0.014 4.326 4.340 0.001 0.000 0.218 129 R C 1.613 177.808 176.300 -0.176 0.000 1.074 129 R CA 0.650 56.501 56.100 -0.416 0.000 0.991 129 R CB -0.618 29.304 30.300 -0.631 0.000 0.883 129 R HN 0.483 nan 8.270 nan 0.000 0.457 130 N N 0.126 118.742 118.700 -0.139 0.000 2.432 130 N HA -0.054 4.686 4.740 0.001 0.000 0.174 130 N C -0.103 175.364 175.510 -0.072 0.000 1.037 130 N CA 0.389 53.406 53.050 -0.055 0.000 0.892 130 N CB 0.465 38.924 38.487 -0.047 0.000 1.049 130 N HN 0.033 nan 8.380 nan 0.000 0.442 131 Q N 0.530 120.264 119.800 -0.110 0.000 2.878 131 Q HA 0.257 4.598 4.340 0.001 0.000 0.232 131 Q C -2.421 173.513 176.000 -0.109 0.000 0.893 131 Q CA -1.416 54.334 55.803 -0.089 0.000 0.742 131 Q CB 1.798 30.490 28.738 -0.077 0.000 1.354 131 Q HN -0.075 nan 8.270 nan 0.000 0.466 132 P HA -0.129 nan 4.420 nan 0.000 0.223 132 P C -0.604 176.676 177.300 -0.033 0.000 1.144 132 P CA 1.011 64.060 63.100 -0.085 0.000 0.783 132 P CB 0.477 32.145 31.700 -0.052 0.000 0.771 133 E N 0.636 120.828 120.200 -0.014 0.000 3.651 133 E HA 0.238 4.589 4.350 0.001 0.000 0.220 133 E C -2.353 174.260 176.600 0.021 0.000 1.222 133 E CA -1.917 54.500 56.400 0.029 0.000 1.114 133 E CB 1.056 30.778 29.700 0.036 0.000 1.278 133 E HN 0.359 nan 8.360 nan 0.000 0.412 134 P HA 0.007 nan 4.420 nan 0.000 0.274 134 P C 0.155 177.483 177.300 0.047 0.000 1.246 134 P CA -0.143 62.960 63.100 0.006 0.000 0.795 134 P CB 1.006 32.689 31.700 -0.029 0.000 1.006 135 T N -2.615 111.961 114.554 0.036 0.000 2.902 135 T HA 0.191 4.542 4.350 0.001 0.000 0.280 135 T C 1.513 176.258 174.700 0.076 0.000 0.992 135 T CA -0.725 61.408 62.100 0.054 0.000 1.015 135 T CB 0.139 69.029 68.868 0.037 0.000 1.044 135 T HN 0.087 nan 8.240 nan 0.000 0.520 136 V N 0.794 120.765 119.914 0.095 0.000 2.392 136 V HA -0.150 3.971 4.120 0.001 0.000 0.249 136 V C 2.791 178.952 176.094 0.112 0.000 1.059 136 V CA 2.343 64.718 62.300 0.125 0.000 1.051 136 V CB -1.054 30.843 31.823 0.123 0.000 0.658 136 V HN 1.060 nan 8.190 nan 0.000 0.455 137 E N 0.082 120.328 120.200 0.078 0.000 2.072 137 E HA -0.237 4.114 4.350 0.001 0.000 0.191 137 E C 2.206 178.824 176.600 0.030 0.000 0.985 137 E CA 1.389 57.828 56.400 0.065 0.000 0.801 137 E CB -0.061 29.668 29.700 0.049 0.000 0.750 137 E HN 0.704 nan 8.360 nan 0.000 0.452 138 E N 0.170 120.374 120.200 0.006 0.000 2.153 138 E HA -0.171 4.179 4.350 0.001 0.000 0.194 138 E C 2.124 178.675 176.600 -0.081 0.000 0.988 138 E CA 0.916 57.289 56.400 -0.045 0.000 0.811 138 E CB -0.019 29.652 29.700 -0.049 0.000 0.746 138 E HN 0.400 nan 8.360 nan 0.000 0.466 139 I N 1.048 121.614 120.570 -0.007 0.000 2.202 139 I HA -0.246 3.925 4.170 0.001 0.000 0.242 139 I C 2.688 178.825 176.117 0.032 0.000 1.091 139 I CA 1.113 62.425 61.300 0.020 0.000 1.368 139 I CB -0.211 37.913 38.000 0.206 0.000 1.058 139 I HN 0.126 nan 8.210 nan 0.000 0.410 140 E N 1.125 121.403 120.200 0.129 0.000 2.051 140 E HA -0.276 4.075 4.350 0.001 0.000 0.192 140 E C 1.545 178.155 176.600 0.016 0.000 0.991 140 E CA 1.670 58.174 56.400 0.174 0.000 0.799 140 E CB 0.049 29.862 29.700 0.188 0.000 0.748 140 E HN 0.379 nan 8.360 nan 0.000 0.449 141 D N 0.058 120.426 120.400 -0.053 0.000 2.263 141 D HA -0.110 4.531 4.640 0.001 0.000 0.208 141 D C 1.593 177.753 176.300 -0.233 0.000 0.971 141 D CA 1.001 54.937 54.000 -0.107 0.000 0.867 141 D CB -0.204 40.538 40.800 -0.097 0.000 0.929 141 D HN 0.290 nan 8.370 nan 0.000 0.492 142 A N -0.316 122.234 122.820 -0.450 0.000 2.121 142 A HA -0.092 4.228 4.320 0.001 0.000 0.218 142 A C 1.167 178.275 177.584 -0.795 0.000 1.154 142 A CA 0.622 52.242 52.037 -0.694 0.000 0.679 142 A CB -0.586 17.809 19.000 -1.008 0.000 0.795 142 A HN 0.233 nan 8.150 nan 0.000 0.458 143 F N -0.525 119.272 119.950 -0.256 0.000 2.750 143 F HA 0.188 4.716 4.527 0.001 0.000 0.297 143 F C 1.709 177.427 175.800 -0.137 0.000 1.138 143 F CA -0.301 57.488 58.000 -0.353 0.000 1.346 143 F CB 0.071 38.354 39.000 -1.194 0.000 0.965 143 F HN 0.180 nan 8.300 nan 0.000 0.514 144 Q N 0.541 120.363 119.800 0.038 0.000 2.291 144 Q HA -0.069 4.272 4.340 0.001 0.000 0.206 144 Q C 2.039 178.125 176.000 0.143 0.000 0.976 144 Q CA 1.248 57.109 55.803 0.097 0.000 0.875 144 Q CB -0.120 28.651 28.738 0.056 0.000 0.927 144 Q HN 0.565 nan 8.270 nan 0.000 0.450 145 G N -0.017 108.871 108.800 0.148 0.000 3.575 145 G HA2 0.128 4.088 3.960 0.001 0.000 0.273 145 G HA3 0.128 4.088 3.960 0.001 0.000 0.273 145 G C -0.480 174.563 174.900 0.238 0.000 1.053 145 G CA -0.372 44.832 45.100 0.173 0.000 0.803 145 G HN 0.116 nan 8.290 nan 0.000 0.528 146 N N 0.072 118.974 118.700 0.336 0.000 2.314 146 N HA 0.640 5.380 4.740 0.001 0.000 0.294 146 N C -0.938 174.897 175.510 0.542 0.000 1.029 146 N CA -0.449 52.864 53.050 0.437 0.000 0.845 146 N CB 2.528 41.340 38.487 0.541 0.000 1.321 146 N HN -0.057 nan 8.380 nan 0.000 0.481 147 L N 0.994 122.476 121.223 0.432 0.000 2.334 147 L HA 0.683 5.023 4.340 0.001 0.000 0.276 147 L C -0.752 176.311 176.870 0.323 0.000 1.014 147 L CA -0.974 54.108 54.840 0.404 0.000 0.815 147 L CB 1.736 43.963 42.059 0.281 0.000 1.268 147 L HN 0.537 nan 8.230 nan 0.000 0.428 148 C N 2.445 121.841 119.300 0.161 0.000 2.482 148 C HA 0.515 4.976 4.460 0.001 0.000 0.317 148 C C 0.894 175.742 174.990 -0.237 0.000 1.197 148 C CA -0.511 58.426 59.018 -0.135 0.000 1.432 148 C CB 1.697 29.155 27.740 -0.470 0.000 2.062 148 C HN 0.988 nan 8.230 nan 0.000 0.471 149 R N 2.438 122.919 120.500 -0.032 0.000 2.282 149 R HA 0.265 4.606 4.340 0.001 0.000 0.195 149 R C 1.433 177.720 176.300 -0.022 0.000 0.909 149 R CA 1.484 57.559 56.100 -0.043 0.000 1.039 149 R CB -0.602 29.740 30.300 0.070 0.000 1.015 149 R HN 0.872 nan 8.270 nan 0.000 0.513 150 C N -1.186 118.165 119.300 0.085 0.000 2.568 150 C HA 0.107 4.568 4.460 0.001 0.000 0.284 150 C C 2.509 177.514 174.990 0.024 0.000 1.338 150 C CA 0.901 60.021 59.018 0.170 0.000 1.724 150 C CB -0.442 27.409 27.740 0.186 0.000 2.131 150 C HN 0.646 nan 8.230 nan 0.000 0.513 151 T N -1.400 113.093 114.554 -0.103 0.000 2.904 151 T HA 0.208 4.559 4.350 0.001 0.000 0.267 151 T C 1.657 176.295 174.700 -0.104 0.000 1.059 151 T CA 1.898 63.930 62.100 -0.114 0.000 1.137 151 T CB -0.534 68.238 68.868 -0.159 0.000 0.879 151 T HN 1.154 nan 8.240 nan 0.000 0.467 152 G N 0.177 108.847 108.800 -0.216 0.000 2.157 152 G HA2 -0.317 3.643 3.960 0.001 0.000 0.248 152 G HA3 -0.317 3.643 3.960 0.001 0.000 0.248 152 G C 0.614 175.578 174.900 0.107 0.000 0.979 152 G CA 0.385 45.496 45.100 0.018 0.000 0.650 152 G HN 0.658 nan 8.290 nan 0.000 0.529 153 Y N -2.167 118.071 120.300 -0.102 0.000 3.062 153 Y HA -0.413 4.137 4.550 0.001 0.000 0.481 153 Y C 2.372 178.262 175.900 -0.017 0.000 1.129 153 Y CA 2.731 60.688 58.100 -0.237 0.000 2.748 153 Y CB -1.397 36.805 38.460 -0.431 0.000 0.834 153 Y HN 0.481 nan 8.280 nan 0.000 0.534 154 R N 1.222 121.880 120.500 0.262 0.000 2.133 154 R HA -0.203 4.137 4.340 0.001 0.000 0.245 154 R C -0.921 175.479 176.300 0.166 0.000 1.137 154 R CA 2.683 58.933 56.100 0.250 0.000 0.947 154 R CB -1.379 29.058 30.300 0.229 0.000 0.865 154 R HN 0.417 nan 8.270 nan 0.000 0.437 155 P HA -0.130 nan 4.420 nan 0.000 0.217 155 P C 1.686 178.967 177.300 -0.032 0.000 1.150 155 P CA 1.325 64.469 63.100 0.072 0.000 0.832 155 P CB -0.194 31.540 31.700 0.056 0.000 0.787 156 I N -0.609 119.924 120.570 -0.061 0.000 2.179 156 I HA -0.217 3.954 4.170 0.001 0.000 0.242 156 I C 2.718 178.748 176.117 -0.145 0.000 1.088 156 I CA 1.256 62.418 61.300 -0.231 0.000 1.357 156 I CB -0.672 37.295 38.000 -0.056 0.000 1.051 156 I HN -0.147 nan 8.210 nan 0.000 0.409 157 L N 0.064 121.394 121.223 0.178 0.000 2.027 157 L HA -0.244 4.096 4.340 0.001 0.000 0.206 157 L C 2.708 179.741 176.870 0.272 0.000 1.074 157 L CA 1.452 56.481 54.840 0.316 0.000 0.745 157 L CB -0.589 41.698 42.059 0.381 0.000 0.898 157 L HN 0.326 nan 8.230 nan 0.000 0.433 158 Q N 0.008 119.944 119.800 0.227 0.000 2.124 158 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 158 Q C 2.112 178.294 176.000 0.303 0.000 0.977 158 Q CA 1.736 57.704 55.803 0.276 0.000 0.850 158 Q CB -0.174 28.747 28.738 0.305 0.000 0.901 158 Q HN 0.489 nan 8.270 nan 0.000 0.429 159 G N -0.508 108.351 108.800 0.098 0.000 2.394 159 G HA2 -0.189 3.772 3.960 0.001 0.000 0.215 159 G HA3 -0.189 3.772 3.960 0.001 0.000 0.215 159 G C 0.872 175.854 174.900 0.137 0.000 1.165 159 G CA 0.307 45.368 45.100 -0.065 0.000 0.784 159 G HN 0.334 nan 8.290 nan 0.000 0.535 160 F N 0.668 120.727 119.950 0.182 0.000 2.407 160 F HA 0.221 4.748 4.527 0.001 0.000 0.299 160 F C 2.478 178.479 175.800 0.335 0.000 1.097 160 F CA -0.012 58.187 58.000 0.332 0.000 1.422 160 F CB -0.378 38.888 39.000 0.443 0.000 1.067 160 F HN 0.078 nan 8.300 nan 0.000 0.539 161 R N 0.509 121.272 120.500 0.439 0.000 2.193 161 R HA -0.142 4.199 4.340 0.001 0.000 0.229 161 R C 2.005 178.464 176.300 0.264 0.000 1.110 161 R CA 1.663 57.962 56.100 0.332 0.000 0.988 161 R CB -0.339 30.127 30.300 0.275 0.000 0.871 161 R HN 0.364 nan 8.270 nan 0.000 0.458 162 T N -2.644 112.042 114.554 0.221 0.000 3.051 162 T HA -0.082 4.269 4.350 0.001 0.000 0.269 162 T C 1.415 176.163 174.700 0.080 0.000 1.127 162 T CA 0.802 62.979 62.100 0.128 0.000 1.107 162 T CB -0.287 68.669 68.868 0.147 0.000 0.898 162 T HN 0.223 nan 8.240 nan 0.000 0.517 163 F N 1.889 121.971 119.950 0.220 0.000 2.615 163 F HA 0.472 4.999 4.527 0.001 0.000 0.297 163 F C 1.917 177.782 175.800 0.108 0.000 1.124 163 F CA -0.394 57.695 58.000 0.148 0.000 1.451 163 F CB -0.188 38.882 39.000 0.116 0.000 1.103 163 F HN 0.236 nan 8.300 nan 0.000 0.569 164 A N 1.054 124.045 122.820 0.286 0.000 2.406 164 A HA 0.432 4.752 4.320 0.001 0.000 0.243 164 A C 0.360 178.029 177.584 0.141 0.000 1.082 164 A CA -0.069 52.081 52.037 0.187 0.000 0.786 164 A CB 0.134 19.233 19.000 0.165 0.000 1.029 164 A HN 0.443 nan 8.150 nan 0.000 0.495 193 P HA 0.416 nan 4.420 nan 0.000 0.274 193 P C -0.569 176.543 177.300 -0.314 0.000 1.260 193 P CA -0.400 62.452 63.100 -0.414 0.000 0.793 193 P CB 0.468 31.935 31.700 -0.388 0.000 1.048 194 S N -0.761 114.947 115.700 0.013 0.000 2.593 194 S HA 0.329 4.800 4.470 0.001 0.000 0.297 194 S C 1.222 176.014 174.600 0.319 0.000 1.112 194 S CA -0.936 57.335 58.200 0.118 0.000 1.043 194 S CB 1.065 64.213 63.200 -0.086 0.000 1.054 194 S HN 0.362 nan 8.310 nan 0.000 0.516 195 L N 0.223 121.586 121.223 0.233 0.000 2.217 195 L HA 0.185 4.525 4.340 0.001 0.000 0.211 195 L C 0.204 177.320 176.870 0.409 0.000 1.107 195 L CA 0.936 55.922 54.840 0.243 0.000 0.783 195 L CB -0.461 41.745 42.059 0.245 0.000 0.919 195 L HN 0.808 nan 8.230 nan 0.000 0.442 196 F N -3.103 116.939 119.950 0.153 0.000 2.713 196 F HA 0.479 5.006 4.527 0.001 0.000 0.311 196 F C -0.921 174.856 175.800 -0.038 0.000 1.141 196 F CA -1.685 56.356 58.000 0.069 0.000 0.939 196 F CB 0.993 40.023 39.000 0.050 0.000 1.325 196 F HN -0.330 nan 8.300 nan 0.000 0.453 197 N N 2.143 120.906 118.700 0.104 0.000 2.564 197 N HA 0.512 5.252 4.740 0.001 0.000 0.248 197 N C -2.373 172.912 175.510 -0.375 0.000 0.986 197 N CA -2.665 50.312 53.050 -0.122 0.000 0.921 197 N CB 1.758 40.206 38.487 -0.065 0.000 1.136 197 N HN 0.273 nan 8.380 nan 0.000 0.509 198 P HA -0.140 nan 4.420 nan 0.000 0.217 198 P C 0.478 177.433 177.300 -0.575 0.000 1.148 198 P CA 1.232 63.795 63.100 -0.895 0.000 0.828 198 P CB 0.337 31.840 31.700 -0.329 0.000 0.783 199 E N -0.224 119.805 120.200 -0.284 0.000 2.265 199 E HA -0.207 4.144 4.350 0.001 0.000 0.196 199 E C 1.631 178.190 176.600 -0.067 0.000 0.996 199 E CA 0.990 57.313 56.400 -0.128 0.000 0.832 199 E CB -0.265 29.387 29.700 -0.081 0.000 0.756 199 E HN 0.615 nan 8.360 nan 0.000 0.491 200 E N 0.218 120.368 120.200 -0.084 0.000 2.489 200 E HA 0.007 4.357 4.350 0.001 0.000 0.193 200 E C 0.110 176.846 176.600 0.227 0.000 1.057 200 E CA -0.200 56.236 56.400 0.060 0.000 0.866 200 E CB -0.104 29.644 29.700 0.079 0.000 0.916 200 E HN 0.111 nan 8.360 nan 0.000 0.500 201 F N 1.983 121.945 119.950 0.019 0.000 2.495 201 F HA 0.120 4.648 4.527 0.001 0.000 0.365 201 F C 0.876 176.676 175.800 0.000 0.000 1.090 201 F CA -1.077 56.920 58.000 -0.005 0.000 1.235 201 F CB 0.710 39.685 39.000 -0.043 0.000 1.119 201 F HN 0.057 nan 8.300 nan 0.000 0.562 202 M N 6.362 126.063 119.600 0.169 0.000 2.217 202 M HA 0.216 4.696 4.480 0.001 0.000 0.352 202 M C -2.357 173.999 176.300 0.093 0.000 1.376 202 M CA -1.413 53.944 55.300 0.095 0.000 1.107 202 M CB 0.609 33.235 32.600 0.044 0.000 1.723 202 M HN 0.184 nan 8.290 nan 0.000 0.461 203 P HA 0.067 nan 4.420 nan 0.000 0.269 203 P C -1.187 176.167 177.300 0.090 0.000 1.215 203 P CA -0.472 62.688 63.100 0.100 0.000 0.780 203 P CB 0.440 32.187 31.700 0.079 0.000 0.898 204 L N 2.682 123.990 121.223 0.142 0.000 2.360 204 L HA 0.310 4.650 4.340 0.001 0.000 0.276 204 L C -0.176 176.725 176.870 0.052 0.000 1.121 204 L CA 0.462 55.364 54.840 0.102 0.000 0.845 204 L CB -0.022 42.142 42.059 0.175 0.000 1.143 204 L HN 0.205 nan 8.230 nan 0.000 0.452 205 D N 6.755 127.165 120.400 0.017 0.000 2.408 205 D HA 0.348 4.989 4.640 0.001 0.000 0.261 205 D C -1.878 174.434 176.300 0.020 0.000 1.190 205 D CA -1.876 52.137 54.000 0.021 0.000 0.910 205 D CB 1.550 42.362 40.800 0.019 0.000 1.097 205 D HN 0.350 nan 8.370 nan 0.000 0.522 206 P HA -0.161 nan 4.420 nan 0.000 0.221 206 P C 1.190 178.502 177.300 0.019 0.000 1.145 206 P CA 1.043 64.148 63.100 0.008 0.000 0.795 206 P CB -0.087 31.605 31.700 -0.013 0.000 0.775 207 T N -3.347 111.219 114.554 0.021 0.000 3.007 207 T HA -0.092 4.258 4.350 0.001 0.000 0.270 207 T C 1.639 176.358 174.700 0.031 0.000 1.107 207 T CA 0.817 62.931 62.100 0.024 0.000 1.118 207 T CB -0.698 68.182 68.868 0.020 0.000 0.889 207 T HN 0.237 nan 8.240 nan 0.000 0.506 208 Q N 0.460 120.282 119.800 0.037 0.000 2.246 208 Q HA 0.198 4.538 4.340 0.001 0.000 0.202 208 Q C -0.062 175.980 176.000 0.070 0.000 0.883 208 Q CA -0.162 55.668 55.803 0.045 0.000 0.952 208 Q CB 0.436 29.196 28.738 0.037 0.000 1.078 208 Q HN 0.548 nan 8.270 nan 0.000 0.493 209 E N 1.792 122.039 120.200 0.078 0.000 2.373 209 E HA 0.189 4.540 4.350 0.001 0.000 0.263 209 E C -2.180 174.473 176.600 0.088 0.000 1.073 209 E CA -1.899 54.568 56.400 0.112 0.000 0.894 209 E CB 0.153 29.904 29.700 0.086 0.000 1.008 209 E HN 0.018 nan 8.360 nan 0.000 0.420 210 P HA 0.078 nan 4.420 nan 0.000 0.265 210 P C 0.077 177.422 177.300 0.075 0.000 1.193 210 P CA 0.117 63.258 63.100 0.067 0.000 0.765 210 P CB 0.450 32.184 31.700 0.057 0.000 0.823 211 I N 3.008 123.615 120.570 0.061 0.000 2.823 211 I HA 0.199 4.369 4.170 0.001 0.000 0.290 211 I C 0.035 176.214 176.117 0.103 0.000 1.091 211 I CA -0.768 60.584 61.300 0.085 0.000 1.365 211 I CB 0.375 38.408 38.000 0.054 0.000 1.427 211 I HN 0.156 nan 8.210 nan 0.000 0.583 212 F N 8.180 128.133 119.950 0.006 0.000 2.538 212 F HA 0.324 4.851 4.527 0.000 0.000 0.371 212 F C -1.940 173.794 175.800 -0.110 0.000 1.087 212 F CA -2.044 55.945 58.000 -0.019 0.000 1.250 212 F CB 0.018 39.022 39.000 0.006 0.000 1.110 212 F HN 0.299 nan 8.300 nan 0.000 0.570 213 P HA -0.044 nan 4.420 nan 0.000 0.253 213 P C -2.157 174.820 177.300 -0.538 0.000 1.159 213 P CA -0.404 62.254 63.100 -0.737 0.000 0.779 213 P CB 0.247 31.152 31.700 -1.324 0.000 0.745 214 P HA -0.217 nan 4.420 nan 0.000 0.216 214 P C 1.415 178.609 177.300 -0.176 0.000 1.150 214 P CA 1.287 64.303 63.100 -0.140 0.000 0.843 214 P CB 0.046 31.696 31.700 -0.083 0.000 0.787 215 E N -0.489 119.573 120.200 -0.229 0.000 2.118 215 E HA -0.167 4.184 4.350 0.001 0.000 0.195 215 E C 1.863 178.314 176.600 -0.249 0.000 0.992 215 E CA 0.820 57.121 56.400 -0.166 0.000 0.804 215 E CB -0.488 29.206 29.700 -0.010 0.000 0.741 215 E HN 0.175 nan 8.360 nan 0.000 0.458 216 L N 0.306 121.248 121.223 -0.467 0.000 2.141 216 L HA -0.152 4.189 4.340 0.001 0.000 0.209 216 L C 2.455 179.248 176.870 -0.129 0.000 1.094 216 L CA 0.268 54.877 54.840 -0.385 0.000 0.763 216 L CB -0.203 41.496 42.059 -0.601 0.000 0.908 216 L HN 0.266 nan 8.230 nan 0.000 0.437 217 L N -0.158 121.034 121.223 -0.051 0.000 2.362 217 L HA -0.123 4.217 4.340 0.001 0.000 0.219 217 L C 2.513 179.290 176.870 -0.156 0.000 1.134 217 L CA 1.482 56.288 54.840 -0.056 0.000 0.807 217 L CB -0.446 41.613 42.059 0.001 0.000 0.927 217 L HN 0.100 nan 8.230 nan 0.000 0.447 218 R N -1.270 119.152 120.500 -0.131 0.000 2.066 218 R HA 0.055 4.395 4.340 0.001 0.000 0.224 218 R C 2.095 178.328 176.300 -0.111 0.000 1.122 218 R CA 1.053 57.087 56.100 -0.111 0.000 0.974 218 R CB -0.434 29.818 30.300 -0.081 0.000 0.871 218 R HN 0.280 nan 8.270 nan 0.000 0.435 219 L N 2.167 123.309 121.223 -0.136 0.000 2.349 219 L HA -0.183 4.157 4.340 0.001 0.000 0.220 219 L C 2.388 179.216 176.870 -0.070 0.000 1.130 219 L CA 1.281 56.046 54.840 -0.125 0.000 0.791 219 L CB -0.574 41.270 42.059 -0.358 0.000 0.918 219 L HN 0.281 nan 8.230 nan 0.000 0.444 220 K N -0.604 119.725 120.400 -0.118 0.000 2.211 220 K HA -0.148 4.173 4.320 0.001 0.000 0.203 220 K C 0.731 177.285 176.600 -0.077 0.000 1.050 220 K CA 1.411 57.631 56.287 -0.112 0.000 0.945 220 K CB -0.147 32.080 32.500 -0.454 0.000 0.732 220 K HN 0.260 nan 8.250 nan 0.000 0.451 221 D N 1.528 121.876 120.400 -0.088 0.000 2.325 221 D HA 0.053 4.694 4.640 0.001 0.000 0.234 221 D C -0.586 175.706 176.300 -0.014 0.000 1.122 221 D CA 0.219 54.188 54.000 -0.051 0.000 0.850 221 D CB 0.678 41.441 40.800 -0.062 0.000 0.921 221 D HN -0.002 nan 8.370 nan 0.000 0.513 222 V N 2.292 122.208 119.914 0.004 0.000 2.349 222 V HA 0.212 4.332 4.120 0.001 0.000 0.284 222 V C -2.179 173.934 176.094 0.033 0.000 1.014 222 V CA -1.759 60.559 62.300 0.029 0.000 0.826 222 V CB 1.655 33.513 31.823 0.059 0.000 1.009 222 V HN -0.137 nan 8.190 nan 0.000 0.431 223 P HA 0.113 nan 4.420 nan 0.000 0.261 223 P C -2.331 174.975 177.300 0.011 0.000 1.173 223 P CA -0.357 62.752 63.100 0.014 0.000 0.760 223 P CB -0.182 31.530 31.700 0.019 0.000 0.783 224 P HA 0.115 nan 4.420 nan 0.000 0.267 224 P C -0.406 176.926 177.300 0.055 0.000 1.201 224 P CA 0.213 63.275 63.100 -0.064 0.000 0.775 224 P CB 0.530 32.126 31.700 -0.174 0.000 0.854 225 K N 1.275 121.748 120.400 0.121 0.000 2.469 225 K HA 0.211 4.532 4.320 0.001 0.000 0.254 225 K C -0.728 175.991 176.600 0.199 0.000 0.939 225 K CA -0.812 55.555 56.287 0.133 0.000 0.812 225 K CB 1.675 34.228 32.500 0.088 0.000 1.301 225 K HN 0.403 nan 8.250 nan 0.000 0.433 226 Q N 3.686 123.557 119.800 0.119 0.000 2.330 226 Q HA 0.132 4.473 4.340 0.001 0.000 0.279 226 Q C -1.116 174.862 176.000 -0.038 0.000 1.024 226 Q CA 0.215 56.050 55.803 0.054 0.000 0.900 226 Q CB 0.510 29.252 28.738 0.006 0.000 1.221 226 Q HN 0.457 nan 8.270 nan 0.000 0.396 227 L N 3.700 124.826 121.223 -0.162 0.000 2.341 227 L HA 0.654 4.994 4.340 0.001 0.000 0.267 227 L C -0.316 176.242 176.870 -0.520 0.000 1.009 227 L CA -0.917 53.698 54.840 -0.376 0.000 0.819 227 L CB 2.082 43.810 42.059 -0.552 0.000 1.323 227 L HN 0.638 nan 8.230 nan 0.000 0.425 228 R N 1.787 121.935 120.500 -0.587 0.000 2.532 228 R HA 0.602 4.943 4.340 0.001 0.000 0.297 228 R C -1.967 174.056 176.300 -0.461 0.000 0.984 228 R CA -0.388 55.459 56.100 -0.422 0.000 0.884 228 R CB 1.422 31.619 30.300 -0.172 0.000 1.182 228 R HN 0.460 nan 8.270 nan 0.000 0.442 229 F N 2.235 122.224 119.950 0.065 0.000 2.520 229 F HA 0.397 4.925 4.527 0.000 0.000 0.322 229 F C -0.031 175.799 175.800 0.050 0.000 1.103 229 F CA -0.918 57.092 58.000 0.018 0.000 0.926 229 F CB 2.411 41.365 39.000 -0.077 0.000 1.154 229 F HN 0.318 nan 8.300 nan 0.000 0.453 230 E N 1.621 121.954 120.200 0.221 0.000 2.191 230 E HA 0.506 4.856 4.350 0.001 0.000 0.263 230 E C -0.148 176.517 176.600 0.109 0.000 0.881 230 E CA -0.676 55.806 56.400 0.137 0.000 0.757 230 E CB 2.273 32.030 29.700 0.095 0.000 1.147 230 E HN 0.782 nan 8.360 nan 0.000 0.414 231 G N 1.232 110.092 108.800 0.099 0.000 2.795 231 G HA2 0.061 4.021 3.960 0.001 0.000 0.267 231 G HA3 0.061 4.021 3.960 0.001 0.000 0.267 231 G C 0.496 175.437 174.900 0.068 0.000 1.362 231 G CA -0.365 44.779 45.100 0.073 0.000 1.048 231 G HN 0.602 nan 8.290 nan 0.000 0.547 232 E N -0.788 119.452 120.200 0.066 0.000 2.106 232 E HA -0.067 4.283 4.350 0.001 0.000 0.192 232 E C 1.907 178.544 176.600 0.062 0.000 0.984 232 E CA 0.899 57.341 56.400 0.071 0.000 0.806 232 E CB 0.056 29.814 29.700 0.098 0.000 0.750 232 E HN 0.457 nan 8.360 nan 0.000 0.458 233 R N -0.971 119.565 120.500 0.061 0.000 2.544 233 R HA 0.250 4.590 4.340 0.001 0.000 0.303 233 R C -0.528 175.808 176.300 0.059 0.000 0.939 233 R CA -0.143 55.988 56.100 0.052 0.000 1.102 233 R CB 1.960 32.285 30.300 0.042 0.000 1.440 233 R HN -0.098 nan 8.270 nan 0.000 0.532 234 V N 0.881 120.843 119.914 0.081 0.000 2.823 234 V HA 0.410 4.531 4.120 0.001 0.000 0.312 234 V C -0.321 175.849 176.094 0.126 0.000 1.072 234 V CA -0.669 61.695 62.300 0.107 0.000 0.937 234 V CB 2.358 34.270 31.823 0.148 0.000 1.013 234 V HN -0.023 nan 8.190 nan 0.000 0.430 235 T N 3.777 118.400 114.554 0.114 0.000 2.792 235 T HA 0.381 4.732 4.350 0.001 0.000 0.280 235 T C -1.209 173.589 174.700 0.164 0.000 0.990 235 T CA -0.227 61.942 62.100 0.114 0.000 0.960 235 T CB 0.949 69.831 68.868 0.022 0.000 0.939 235 T HN 0.659 nan 8.240 nan 0.000 0.439 236 W N 5.423 126.727 121.300 0.007 0.000 2.532 236 W HA 0.619 5.279 4.660 0.000 0.000 0.321 236 W C -2.134 174.311 176.519 -0.124 0.000 1.037 236 W CA -1.416 55.925 57.345 -0.007 0.000 1.220 236 W CB 0.651 30.184 29.460 0.122 0.000 1.361 236 W HN 0.395 nan 8.180 nan 0.000 0.468 237 I N 4.714 125.177 120.570 -0.178 0.000 2.382 237 I HA 0.085 4.255 4.170 0.001 0.000 0.286 237 I C 0.034 175.988 176.117 -0.273 0.000 1.002 237 I CA -0.536 60.655 61.300 -0.181 0.000 1.135 237 I CB 1.844 39.734 38.000 -0.183 0.000 1.288 237 I HN 0.293 nan 8.210 nan 0.000 0.448 238 Q N 5.213 124.896 119.800 -0.195 0.000 2.406 238 Q HA 0.675 5.016 4.340 0.001 0.000 0.242 238 Q C -0.425 175.414 176.000 -0.268 0.000 1.036 238 Q CA -0.317 55.300 55.803 -0.310 0.000 0.904 238 Q CB 1.018 29.457 28.738 -0.499 0.000 1.244 238 Q HN 0.755 nan 8.270 nan 0.000 0.478 239 A N 2.805 125.501 122.820 -0.206 0.000 2.409 239 A HA 0.363 4.683 4.320 0.001 0.000 0.262 239 A C 0.861 178.487 177.584 0.069 0.000 1.113 239 A CA 0.245 52.241 52.037 -0.069 0.000 0.790 239 A CB 0.405 19.360 19.000 -0.074 0.000 1.046 239 A HN 0.941 nan 8.150 nan 0.000 0.496 240 S N 1.139 116.938 115.700 0.165 0.000 2.492 240 S HA 0.146 4.617 4.470 0.001 0.000 0.218 240 S C 0.810 175.516 174.600 0.177 0.000 1.016 240 S CA 0.809 59.189 58.200 0.300 0.000 0.916 240 S CB -0.347 63.030 63.200 0.295 0.000 0.791 240 S HN 1.321 nan 8.310 nan 0.000 0.513 241 T N -1.307 113.306 114.554 0.100 0.000 2.916 241 T HA 0.635 4.985 4.350 0.001 0.000 0.292 241 T C 0.545 175.266 174.700 0.036 0.000 1.064 241 T CA -0.725 61.413 62.100 0.064 0.000 1.011 241 T CB 1.350 70.245 68.868 0.045 0.000 1.152 241 T HN -0.008 nan 8.240 nan 0.000 0.510 242 L N 1.140 122.377 121.223 0.023 0.000 2.083 242 L HA 0.165 4.506 4.340 0.001 0.000 0.209 242 L C 2.557 179.426 176.870 -0.002 0.000 1.083 242 L CA 1.930 56.773 54.840 0.006 0.000 0.752 242 L CB -0.906 41.152 42.059 -0.001 0.000 0.899 242 L HN 0.913 nan 8.230 nan 0.000 0.433 243 K N -0.434 119.968 120.400 0.002 0.000 2.057 243 K HA -0.210 4.111 4.320 0.001 0.000 0.207 243 K C 1.891 178.489 176.600 -0.003 0.000 1.049 243 K CA 1.868 58.154 56.287 -0.002 0.000 0.931 243 K CB -0.118 32.383 32.500 0.001 0.000 0.714 243 K HN 0.516 nan 8.250 nan 0.000 0.440 244 E N 0.613 120.815 120.200 0.003 0.000 2.077 244 E HA -0.211 4.140 4.350 0.001 0.000 0.193 244 E C 2.038 178.630 176.600 -0.014 0.000 0.989 244 E CA 1.086 57.485 56.400 -0.002 0.000 0.800 244 E CB -0.170 29.535 29.700 0.007 0.000 0.746 244 E HN 0.210 nan 8.360 nan 0.000 0.452 245 L N 1.258 122.470 121.223 -0.018 0.000 2.012 245 L HA -0.185 4.156 4.340 0.001 0.000 0.210 245 L C 2.034 178.885 176.870 -0.032 0.000 1.073 245 L CA 1.667 56.486 54.840 -0.035 0.000 0.748 245 L CB -0.403 41.634 42.059 -0.037 0.000 0.891 245 L HN 0.107 nan 8.230 nan 0.000 0.431 246 L N -0.786 120.422 121.223 -0.025 0.000 2.093 246 L HA -0.165 4.176 4.340 0.001 0.000 0.208 246 L C 2.284 179.140 176.870 -0.023 0.000 1.085 246 L CA 1.160 55.985 54.840 -0.025 0.000 0.755 246 L CB -0.921 41.125 42.059 -0.023 0.000 0.904 246 L HN 0.296 nan 8.230 nan 0.000 0.435 247 D N 0.380 120.769 120.400 -0.019 0.000 2.117 247 D HA -0.130 4.510 4.640 0.001 0.000 0.198 247 D C 2.433 178.724 176.300 -0.014 0.000 0.982 247 D CA 1.139 55.129 54.000 -0.018 0.000 0.828 247 D CB -0.098 40.694 40.800 -0.012 0.000 0.967 247 D HN 0.254 nan 8.370 nan 0.000 0.464 248 L N 0.660 121.882 121.223 -0.002 0.000 2.046 248 L HA -0.159 4.182 4.340 0.001 0.000 0.208 248 L C 2.398 179.286 176.870 0.030 0.000 1.077 248 L CA 1.006 55.865 54.840 0.031 0.000 0.747 248 L CB -0.265 41.797 42.059 0.005 0.000 0.896 248 L HN -0.100 nan 8.230 nan 0.000 0.432 249 K N 0.028 120.424 120.400 -0.008 0.000 2.211 249 K HA -0.047 4.274 4.320 0.001 0.000 0.203 249 K C 2.107 178.690 176.600 -0.027 0.000 1.050 249 K CA 1.287 57.564 56.287 -0.016 0.000 0.945 249 K CB -0.254 32.226 32.500 -0.034 0.000 0.732 249 K HN 0.290 nan 8.250 nan 0.000 0.451 250 A N 1.072 123.869 122.820 -0.038 0.000 1.929 250 A HA -0.138 4.183 4.320 0.001 0.000 0.216 250 A C 2.055 179.585 177.584 -0.090 0.000 1.176 250 A CA 1.045 53.050 52.037 -0.053 0.000 0.628 250 A CB -0.219 18.753 19.000 -0.047 0.000 0.816 250 A HN 0.336 nan 8.150 nan 0.000 0.444 251 Q N -1.217 118.511 119.800 -0.121 0.000 2.187 251 Q HA -0.009 4.332 4.340 0.001 0.000 0.199 251 Q C -0.129 175.566 176.000 -0.508 0.000 0.957 251 Q CA 0.776 56.408 55.803 -0.284 0.000 0.857 251 Q CB 0.168 28.742 28.738 -0.275 0.000 0.929 251 Q HN 0.716 nan 8.270 nan 0.000 0.453 252 H N -1.036 118.013 119.070 -0.035 0.000 2.429 252 H HA 0.192 4.748 4.556 0.001 0.000 0.231 252 H C -2.090 173.212 175.328 -0.045 0.000 1.416 252 H CA -1.774 54.253 56.048 -0.036 0.000 1.443 252 H CB 1.256 30.994 29.762 -0.040 0.000 1.591 252 H HN 0.072 nan 8.280 nan 0.000 0.507 253 P HA -0.169 nan 4.420 nan 0.000 0.221 253 P C 1.727 179.025 177.300 -0.003 0.000 1.145 253 P CA 1.033 64.132 63.100 -0.003 0.000 0.795 253 P CB 0.482 32.170 31.700 -0.019 0.000 0.775 254 E N 0.159 120.375 120.200 0.026 0.000 2.285 254 E HA -0.019 4.331 4.350 0.001 0.000 0.194 254 E C 0.769 177.360 176.600 -0.014 0.000 0.997 254 E CA 0.258 56.668 56.400 0.016 0.000 0.845 254 E CB -1.070 28.660 29.700 0.050 0.000 0.782 254 E HN 0.019 nan 8.360 nan 0.000 0.491 255 A N 2.255 125.070 122.820 -0.008 0.000 2.584 255 A HA 0.026 4.347 4.320 0.001 0.000 0.239 255 A C 0.227 177.727 177.584 -0.141 0.000 1.043 255 A CA 0.138 52.133 52.037 -0.069 0.000 0.756 255 A CB 0.144 19.101 19.000 -0.073 0.000 0.963 255 A HN 0.000 nan 8.150 nan 0.000 0.511 256 K N 2.500 122.775 120.400 -0.209 0.000 2.201 256 K HA 0.381 4.701 4.320 0.001 0.000 0.278 256 K C -0.147 176.285 176.600 -0.280 0.000 1.027 256 K CA -0.086 56.013 56.287 -0.314 0.000 0.909 256 K CB 1.036 33.203 32.500 -0.556 0.000 1.062 256 K HN 0.659 nan 8.250 nan 0.000 0.465 257 L N 2.390 123.467 121.223 -0.244 0.000 2.418 257 L HA 0.380 4.721 4.340 0.001 0.000 0.265 257 L C 0.078 176.804 176.870 -0.239 0.000 1.143 257 L CA -0.774 53.923 54.840 -0.238 0.000 0.809 257 L CB 0.877 42.835 42.059 -0.169 0.000 1.124 257 L HN 0.136 nan 8.230 nan 0.000 0.456 258 V N 2.962 122.712 119.914 -0.274 0.000 2.733 258 V HA 0.316 4.436 4.120 0.001 0.000 0.306 258 V C 0.226 176.246 176.094 -0.124 0.000 1.084 258 V CA -0.350 61.835 62.300 -0.193 0.000 0.905 258 V CB 2.249 33.923 31.823 -0.248 0.000 1.010 258 V HN 0.642 nan 8.190 nan 0.000 0.424 259 V N 3.153 123.051 119.914 -0.028 0.000 3.671 259 V HA 0.291 4.412 4.120 0.001 0.000 0.202 259 V C 2.003 178.140 176.094 0.072 0.000 1.188 259 V CA 1.241 63.549 62.300 0.013 0.000 1.325 259 V CB -0.062 31.758 31.823 -0.005 0.000 1.470 259 V HN 0.845 nan 8.190 nan 0.000 0.520 260 G N -0.438 108.400 108.800 0.064 0.000 2.551 260 G HA2 -0.119 3.842 3.960 0.001 0.000 0.216 260 G HA3 -0.119 3.842 3.960 0.001 0.000 0.216 260 G C 0.776 175.747 174.900 0.117 0.000 1.137 260 G CA 0.900 46.055 45.100 0.091 0.000 0.798 260 G HN 0.644 nan 8.290 nan 0.000 0.536 261 N N -0.473 118.294 118.700 0.111 0.000 2.800 261 N HA -0.225 4.516 4.740 0.001 0.000 0.250 261 N C 1.377 176.969 175.510 0.136 0.000 1.078 261 N CA 1.785 54.915 53.050 0.133 0.000 0.804 261 N CB -1.695 36.896 38.487 0.172 0.000 1.135 261 N HN 0.402 nan 8.380 nan 0.000 0.565 262 T N -4.116 110.513 114.554 0.126 0.000 3.148 262 T HA 0.110 4.460 4.350 0.001 0.000 0.253 262 T C 1.181 175.960 174.700 0.132 0.000 1.134 262 T CA 0.864 63.046 62.100 0.135 0.000 1.051 262 T CB 0.226 69.178 68.868 0.140 0.000 0.959 262 T HN 0.206 nan 8.240 nan 0.000 0.525 263 E N 0.782 121.056 120.200 0.122 0.000 2.280 263 E HA 0.235 4.585 4.350 0.001 0.000 0.197 263 E C 2.254 178.943 176.600 0.148 0.000 0.913 263 E CA 0.035 56.505 56.400 0.117 0.000 0.995 263 E CB -0.043 29.708 29.700 0.086 0.000 0.991 263 E HN 0.294 nan 8.360 nan 0.000 0.484 264 I N 1.737 122.390 120.570 0.138 0.000 2.194 264 I HA -0.182 3.989 4.170 0.001 0.000 0.246 264 I C 2.414 178.670 176.117 0.233 0.000 1.093 264 I CA 1.692 63.113 61.300 0.202 0.000 1.355 264 I CB -1.737 36.352 38.000 0.147 0.000 1.046 264 I HN 0.124 nan 8.210 nan 0.000 0.413 265 G N 1.423 110.340 108.800 0.195 0.000 2.440 265 G HA2 -0.209 3.751 3.960 0.001 0.000 0.218 265 G HA3 -0.209 3.751 3.960 0.001 0.000 0.218 265 G C 1.617 176.650 174.900 0.223 0.000 1.154 265 G CA 0.404 45.617 45.100 0.189 0.000 0.767 265 G HN 0.222 nan 8.290 nan 0.000 0.552 266 I N 1.069 121.795 120.570 0.261 0.000 2.252 266 I HA -0.071 4.100 4.170 0.001 0.000 0.245 266 I C 2.565 178.882 176.117 0.333 0.000 1.102 266 I CA 0.948 62.471 61.300 0.370 0.000 1.385 266 I CB -1.280 36.862 38.000 0.238 0.000 1.064 266 I HN 0.336 nan 8.210 nan 0.000 0.414 267 E N 0.136 120.485 120.200 0.249 0.000 2.077 267 E HA -0.203 4.148 4.350 0.001 0.000 0.193 267 E C 2.315 178.988 176.600 0.123 0.000 0.989 267 E CA 1.184 57.715 56.400 0.219 0.000 0.800 267 E CB -0.061 29.824 29.700 0.309 0.000 0.746 267 E HN 0.326 nan 8.360 nan 0.000 0.452 268 M N 0.585 120.250 119.600 0.109 0.000 2.077 268 M HA -0.131 4.349 4.480 0.001 0.000 0.261 268 M C 2.344 178.607 176.300 -0.063 0.000 1.070 268 M CA 1.372 56.664 55.300 -0.013 0.000 1.125 268 M CB -0.665 31.957 32.600 0.037 0.000 1.339 268 M HN -0.090 nan 8.290 nan 0.000 0.409 269 K N 0.301 120.663 120.400 -0.064 0.000 2.062 269 K HA -0.052 4.268 4.320 0.001 0.000 0.205 269 K C 1.427 177.739 176.600 -0.481 0.000 1.051 269 K CA 1.646 57.747 56.287 -0.311 0.000 0.941 269 K CB -0.172 32.067 32.500 -0.434 0.000 0.719 269 K HN 0.224 nan 8.250 nan 0.000 0.440 270 F N -0.208 119.754 119.950 0.020 0.000 2.694 270 F HA 0.271 4.798 4.527 0.001 0.000 0.292 270 F C 1.154 176.962 175.800 0.012 0.000 1.121 270 F CA -0.094 57.919 58.000 0.022 0.000 1.352 270 F CB 0.459 39.491 39.000 0.054 0.000 1.107 270 F HN -0.217 nan 8.300 nan 0.000 0.597 271 K N 0.699 121.202 120.400 0.172 0.000 2.446 271 K HA 0.073 4.394 4.320 0.001 0.000 0.203 271 K C -0.011 176.606 176.600 0.030 0.000 1.027 271 K CA 0.008 56.364 56.287 0.115 0.000 1.166 271 K CB -0.894 31.690 32.500 0.139 0.000 0.869 271 K HN 0.351 nan 8.250 nan 0.000 0.504 272 N N 1.943 120.612 118.700 -0.051 0.000 2.727 272 N HA -0.186 4.554 4.740 0.001 0.000 0.249 272 N C -0.809 174.642 175.510 -0.099 0.000 1.048 272 N CA 0.247 53.232 53.050 -0.110 0.000 0.714 272 N CB -0.020 38.437 38.487 -0.051 0.000 0.959 272 N HN 0.186 nan 8.380 nan 0.000 0.544 273 Q N 0.485 120.190 119.800 -0.159 0.000 2.215 273 Q HA 0.628 4.968 4.340 0.001 0.000 0.256 273 Q C -0.437 175.266 176.000 -0.495 0.000 0.972 273 Q CA -0.455 55.147 55.803 -0.336 0.000 0.889 273 Q CB 2.148 30.647 28.738 -0.399 0.000 1.281 273 Q HN 0.379 nan 8.270 nan 0.000 0.456 274 L N 1.413 122.227 121.223 -0.680 0.000 2.528 274 L HA 0.471 4.811 4.340 0.001 0.000 0.267 274 L C -1.932 174.609 176.870 -0.548 0.000 0.961 274 L CA -0.126 54.410 54.840 -0.506 0.000 0.866 274 L CB 1.072 43.008 42.059 -0.206 0.000 1.248 274 L HN 0.492 nan 8.230 nan 0.000 0.404 275 F N 7.129 127.094 119.950 0.025 0.000 2.325 275 F HA 0.466 4.994 4.527 0.001 0.000 0.369 275 F C -1.189 174.617 175.800 0.010 0.000 1.095 275 F CA -1.383 56.624 58.000 0.011 0.000 1.082 275 F CB 1.209 40.209 39.000 0.001 0.000 1.289 275 F HN 0.451 nan 8.300 nan 0.000 0.462 276 P HA -0.190 nan 4.420 nan 0.000 0.219 276 P C 0.179 177.512 177.300 0.056 0.000 1.146 276 P CA 1.345 64.491 63.100 0.077 0.000 0.808 276 P CB 0.692 32.423 31.700 0.052 0.000 0.779 277 M N -0.175 119.450 119.600 0.042 0.000 2.263 277 M HA 0.437 4.918 4.480 0.001 0.000 0.295 277 M C -1.501 174.753 176.300 -0.075 0.000 1.028 277 M CA -0.870 54.403 55.300 -0.045 0.000 0.921 277 M CB 1.991 34.498 32.600 -0.155 0.000 1.601 277 M HN -0.314 nan 8.290 nan 0.000 0.440 278 I N 5.344 125.833 120.570 -0.135 0.000 2.569 278 I HA 0.518 4.689 4.170 0.001 0.000 0.296 278 I C -0.998 174.824 176.117 -0.491 0.000 1.028 278 I CA -0.827 60.288 61.300 -0.308 0.000 1.082 278 I CB 2.367 40.145 38.000 -0.370 0.000 1.264 278 I HN 0.666 nan 8.210 nan 0.000 0.429 279 I N 5.115 125.382 120.570 -0.504 0.000 2.418 279 I HA 0.271 4.441 4.170 0.001 0.000 0.287 279 I C -0.706 175.072 176.117 -0.565 0.000 1.008 279 I CA -0.496 60.513 61.300 -0.486 0.000 1.104 279 I CB 1.959 39.792 38.000 -0.279 0.000 1.264 279 I HN 0.519 nan 8.210 nan 0.000 0.438 280 C N 9.174 128.083 119.300 -0.652 0.000 2.239 280 C HA 0.515 4.975 4.460 0.001 0.000 0.325 280 C C -1.486 173.329 174.990 -0.292 0.000 1.231 280 C CA -1.478 57.257 59.018 -0.473 0.000 1.652 280 C CB 0.559 28.071 27.740 -0.380 0.000 2.284 280 C HN 0.616 nan 8.230 nan 0.000 0.499 281 P HA 0.158 nan 4.420 nan 0.000 0.266 281 P C 1.012 178.292 177.300 -0.033 0.000 1.381 281 P CA 0.374 63.412 63.100 -0.104 0.000 0.940 281 P CB 0.216 31.864 31.700 -0.086 0.000 1.435 282 A N -0.090 122.701 122.820 -0.047 0.000 1.997 282 A HA -0.167 4.153 4.320 0.001 0.000 0.221 282 A C 1.760 179.474 177.584 0.218 0.000 1.172 282 A CA 1.313 53.383 52.037 0.054 0.000 0.645 282 A CB -1.623 17.412 19.000 0.058 0.000 0.813 282 A HN 0.202 nan 8.150 nan 0.000 0.454 283 W N -0.124 121.204 121.300 0.047 0.000 2.518 283 W HA 0.210 4.870 4.660 0.001 0.000 0.273 283 W C 0.588 177.121 176.519 0.023 0.000 1.247 283 W CA -0.718 56.656 57.345 0.048 0.000 1.288 283 W CB -0.904 28.597 29.460 0.068 0.000 1.107 283 W HN 0.127 nan 8.180 nan 0.000 0.586 284 I N 4.613 125.321 120.570 0.229 0.000 2.752 284 I HA -0.144 4.027 4.170 0.001 0.000 0.286 284 I C -0.583 175.579 176.117 0.076 0.000 1.180 284 I CA -0.665 60.709 61.300 0.122 0.000 1.404 284 I CB 0.409 38.449 38.000 0.067 0.000 1.389 284 I HN -0.293 nan 8.210 nan 0.000 0.549 285 P HA -0.195 nan 4.420 nan 0.000 0.216 285 P C 1.027 178.328 177.300 0.001 0.000 1.150 285 P CA 1.474 64.587 63.100 0.020 0.000 0.837 285 P CB 0.264 31.970 31.700 0.010 0.000 0.786 286 E N -0.222 119.978 120.200 -0.000 0.000 2.204 286 E HA -0.061 4.290 4.350 0.001 0.000 0.195 286 E C 1.983 178.571 176.600 -0.020 0.000 0.990 286 E CA 0.705 57.096 56.400 -0.017 0.000 0.821 286 E CB -0.795 28.895 29.700 -0.017 0.000 0.750 286 E HN 0.280 nan 8.360 nan 0.000 0.477 287 L N 0.585 121.804 121.223 -0.006 0.000 2.591 287 L HA 0.077 4.417 4.340 0.001 0.000 0.228 287 L C 1.080 177.947 176.870 -0.005 0.000 1.133 287 L CA 0.316 55.150 54.840 -0.009 0.000 0.880 287 L CB 0.081 42.138 42.059 -0.003 0.000 1.033 287 L HN 0.143 nan 8.230 nan 0.000 0.450 288 N N -0.175 118.522 118.700 -0.004 0.000 2.159 288 N HA 0.183 4.923 4.740 0.001 0.000 0.217 288 N C 0.374 175.869 175.510 -0.024 0.000 1.223 288 N CA 0.014 53.059 53.050 -0.007 0.000 0.896 288 N CB 1.187 39.674 38.487 -0.001 0.000 1.064 288 N HN 0.070 nan 8.380 nan 0.000 0.518 289 A N 1.105 123.901 122.820 -0.039 0.000 2.388 289 A HA 0.471 4.791 4.320 0.001 0.000 0.257 289 A C 0.181 177.692 177.584 -0.122 0.000 1.095 289 A CA -0.001 51.994 52.037 -0.070 0.000 0.791 289 A CB 0.653 19.611 19.000 -0.070 0.000 1.029 289 A HN -0.044 nan 8.150 nan 0.000 0.489 290 V N 3.138 122.954 119.914 -0.163 0.000 2.409 290 V HA 0.400 4.521 4.120 0.001 0.000 0.291 290 V C -0.285 175.638 176.094 -0.286 0.000 1.020 290 V CA -0.359 61.744 62.300 -0.328 0.000 0.848 290 V CB 1.215 32.864 31.823 -0.289 0.000 0.990 290 V HN 0.994 nan 8.190 nan 0.000 0.430 291 E N 3.375 123.338 120.200 -0.395 0.000 2.246 291 E HA 0.446 4.796 4.350 0.001 0.000 0.266 291 E C -1.130 175.267 176.600 -0.337 0.000 0.880 291 E CA -0.754 55.501 56.400 -0.242 0.000 0.762 291 E CB 1.903 31.500 29.700 -0.172 0.000 1.180 291 E HN 0.686 nan 8.360 nan 0.000 0.416 292 H N 2.181 121.153 119.070 -0.163 0.000 2.741 292 H HA 0.273 4.830 4.556 0.001 0.000 0.282 292 H C 0.158 175.471 175.328 -0.025 0.000 1.122 292 H CA -0.345 55.646 56.048 -0.095 0.000 1.293 292 H CB 1.114 30.854 29.762 -0.038 0.000 1.415 292 H HN 0.612 nan 8.280 nan 0.000 0.472 293 G N 2.893 111.713 108.800 0.034 0.000 2.552 293 G HA2 0.166 4.126 3.960 0.001 0.000 0.318 293 G HA3 0.166 4.126 3.960 0.001 0.000 0.318 293 G C -1.339 173.669 174.900 0.180 0.000 1.240 293 G CA -1.357 43.779 45.100 0.059 0.000 1.002 293 G HN 0.274 nan 8.290 nan 0.000 0.493 294 P HA -0.044 nan 4.420 nan 0.000 0.220 294 P C 0.767 178.212 177.300 0.241 0.000 1.148 294 P CA 1.037 64.231 63.100 0.157 0.000 0.803 294 P CB 0.504 32.242 31.700 0.063 0.000 0.782 295 E N -0.441 119.852 120.200 0.156 0.000 2.415 295 E HA 0.272 4.622 4.350 0.001 0.000 0.197 295 E C 1.395 177.976 176.600 -0.031 0.000 1.007 295 E CA 0.518 56.987 56.400 0.115 0.000 0.890 295 E CB 0.569 30.273 29.700 0.007 0.000 0.891 295 E HN 0.305 nan 8.360 nan 0.000 0.496 296 G N 0.238 108.872 108.800 -0.276 0.000 2.336 296 G HA2 0.336 4.297 3.960 0.001 0.000 0.286 296 G HA3 0.336 4.297 3.960 0.001 0.000 0.286 296 G C -1.549 173.026 174.900 -0.541 0.000 1.269 296 G CA -0.944 43.658 45.100 -0.829 0.000 0.873 296 G HN -0.014 nan 8.290 nan 0.000 0.494 297 I N 1.345 121.641 120.570 -0.458 0.000 2.378 297 I HA 0.513 4.683 4.170 0.001 0.000 0.291 297 I C 0.280 176.052 176.117 -0.574 0.000 0.992 297 I CA -0.683 60.263 61.300 -0.591 0.000 1.154 297 I CB 1.887 39.420 38.000 -0.779 0.000 1.315 297 I HN 0.405 nan 8.210 nan 0.000 0.448 298 S N 6.056 121.383 115.700 -0.622 0.000 2.508 298 S HA 0.689 5.160 4.470 0.001 0.000 0.284 298 S C -0.953 173.243 174.600 -0.674 0.000 1.192 298 S CA -0.291 57.629 58.200 -0.466 0.000 1.070 298 S CB 0.420 63.443 63.200 -0.295 0.000 1.004 298 S HN 0.325 nan 8.310 nan 0.000 0.493 299 F N 1.855 121.669 119.950 -0.226 0.000 2.529 299 F HA 0.526 5.054 4.527 0.001 0.000 0.320 299 F C 0.996 176.697 175.800 -0.164 0.000 1.118 299 F CA -0.777 57.105 58.000 -0.197 0.000 0.915 299 F CB 1.677 40.554 39.000 -0.205 0.000 1.161 299 F HN 0.721 nan 8.300 nan 0.000 0.445 300 G N 0.774 109.596 108.800 0.036 0.000 2.441 300 G HA2 0.362 4.322 3.960 0.001 0.000 0.243 300 G HA3 0.362 4.322 3.960 0.001 0.000 0.243 300 G C 0.829 175.727 174.900 -0.002 0.000 1.281 300 G CA -0.019 45.077 45.100 -0.007 0.000 0.854 300 G HN 0.990 nan 8.290 nan 0.000 0.560 301 A N 1.962 124.765 122.820 -0.029 0.000 2.139 301 A HA 0.099 4.420 4.320 0.001 0.000 0.221 301 A C 2.471 180.036 177.584 -0.032 0.000 1.159 301 A CA 2.257 54.271 52.037 -0.038 0.000 0.662 301 A CB -0.185 18.791 19.000 -0.041 0.000 0.796 301 A HN 1.277 nan 8.150 nan 0.000 0.463 302 A N -1.620 121.186 122.820 -0.024 0.000 2.195 302 A HA 0.254 4.574 4.320 0.001 0.000 0.210 302 A C 0.966 178.530 177.584 -0.034 0.000 1.165 302 A CA 0.134 52.158 52.037 -0.022 0.000 0.806 302 A CB -0.763 18.234 19.000 -0.005 0.000 0.847 302 A HN 0.463 nan 8.150 nan 0.000 0.482 303 C N 1.545 120.825 119.300 -0.033 0.000 2.538 303 C HA 0.394 4.854 4.460 0.001 0.000 0.408 303 C C 1.403 176.327 174.990 -0.110 0.000 1.421 303 C CA -0.405 58.582 59.018 -0.053 0.000 1.642 303 C CB -1.116 26.625 27.740 0.002 0.000 2.553 303 C HN 0.636 nan 8.230 nan 0.000 0.604 304 A N 4.074 126.810 122.820 -0.140 0.000 2.386 304 A HA 0.388 4.709 4.320 0.001 0.000 0.248 304 A C 1.120 178.572 177.584 -0.220 0.000 1.082 304 A CA -0.387 51.546 52.037 -0.174 0.000 0.789 304 A CB 0.157 19.028 19.000 -0.215 0.000 1.025 304 A HN 0.946 nan 8.150 nan 0.000 0.490 305 L N 1.773 122.847 121.223 -0.249 0.000 2.127 305 L HA -0.213 4.127 4.340 0.001 0.000 0.211 305 L C 2.783 179.479 176.870 -0.289 0.000 1.089 305 L CA 1.806 56.447 54.840 -0.332 0.000 0.757 305 L CB -0.598 41.181 42.059 -0.467 0.000 0.899 305 L HN 0.960 nan 8.230 nan 0.000 0.434 306 S N -1.444 114.120 115.700 -0.228 0.000 2.399 306 S HA -0.145 4.325 4.470 0.001 0.000 0.231 306 S C 2.073 176.568 174.600 -0.175 0.000 1.022 306 S CA 1.316 59.405 58.200 -0.185 0.000 0.983 306 S CB -0.317 62.792 63.200 -0.151 0.000 0.803 306 S HN 0.322 nan 8.310 nan 0.000 0.480 307 S N 1.391 116.982 115.700 -0.182 0.000 2.371 307 S HA 0.030 4.501 4.470 0.001 0.000 0.224 307 S C 1.988 176.506 174.600 -0.137 0.000 1.029 307 S CA 1.062 59.183 58.200 -0.132 0.000 0.978 307 S CB -0.535 62.601 63.200 -0.106 0.000 0.833 307 S HN 0.425 nan 8.310 nan 0.000 0.466 308 V N 1.944 121.678 119.914 -0.298 0.000 2.287 308 V HA -0.210 3.910 4.120 0.001 0.000 0.248 308 V C 2.470 178.357 176.094 -0.345 0.000 1.053 308 V CA 2.008 63.959 62.300 -0.582 0.000 1.027 308 V CB -0.614 30.730 31.823 -0.799 0.000 0.646 308 V HN 0.531 nan 8.190 nan 0.000 0.447 309 E N 0.312 120.351 120.200 -0.268 0.000 2.085 309 E HA -0.302 4.049 4.350 0.001 0.000 0.194 309 E C 2.324 178.848 176.600 -0.128 0.000 0.994 309 E CA 1.778 58.062 56.400 -0.193 0.000 0.801 309 E CB -0.108 29.482 29.700 -0.184 0.000 0.743 309 E HN 0.587 nan 8.360 nan 0.000 0.453 310 K N -0.382 119.955 120.400 -0.106 0.000 2.025 310 K HA -0.113 4.207 4.320 0.001 0.000 0.207 310 K C 2.071 178.652 176.600 -0.033 0.000 1.049 310 K CA 1.836 58.084 56.287 -0.065 0.000 0.933 310 K CB -0.079 32.385 32.500 -0.060 0.000 0.714 310 K HN 0.068 nan 8.250 nan 0.000 0.438 311 T N 1.671 116.225 114.554 -0.000 0.000 2.746 311 T HA -0.122 4.228 4.350 0.001 0.000 0.267 311 T C 1.653 176.353 174.700 -0.001 0.000 1.039 311 T CA 1.038 63.172 62.100 0.056 0.000 1.142 311 T CB -0.118 68.876 68.868 0.210 0.000 0.866 311 T HN 0.060 nan 8.240 nan 0.000 0.444 312 L N 0.596 121.778 121.223 -0.067 0.000 2.093 312 L HA 0.111 4.451 4.340 0.001 0.000 0.208 312 L C 2.256 179.087 176.870 -0.064 0.000 1.085 312 L CA 1.249 55.986 54.840 -0.173 0.000 0.755 312 L CB -0.910 41.020 42.059 -0.214 0.000 0.904 312 L HN 0.269 nan 8.230 nan 0.000 0.435 313 L N -1.043 120.155 121.223 -0.041 0.000 2.046 313 L HA -0.229 4.112 4.340 0.001 0.000 0.208 313 L C 2.411 179.288 176.870 0.012 0.000 1.077 313 L CA 1.254 56.087 54.840 -0.011 0.000 0.747 313 L CB -0.425 41.617 42.059 -0.028 0.000 0.896 313 L HN 0.332 nan 8.230 nan 0.000 0.432 314 E N -0.029 120.176 120.200 0.007 0.000 2.110 314 E HA -0.203 4.148 4.350 0.001 0.000 0.193 314 E C 2.258 178.887 176.600 0.048 0.000 0.988 314 E CA 1.060 57.471 56.400 0.019 0.000 0.804 314 E CB -0.157 29.549 29.700 0.011 0.000 0.745 314 E HN 0.511 nan 8.360 nan 0.000 0.458 315 A N 0.985 123.845 122.820 0.067 0.000 1.898 315 A HA -0.110 4.211 4.320 0.001 0.000 0.216 315 A C 2.483 180.184 177.584 0.195 0.000 1.181 315 A CA 0.929 53.054 52.037 0.147 0.000 0.620 315 A CB -0.529 18.539 19.000 0.113 0.000 0.819 315 A HN 0.113 nan 8.150 nan 0.000 0.442 316 V N -0.228 119.790 119.914 0.172 0.000 2.490 316 V HA -0.208 3.913 4.120 0.001 0.000 0.250 316 V C 2.914 179.068 176.094 0.101 0.000 1.061 316 V CA 1.812 64.212 62.300 0.166 0.000 1.064 316 V CB -0.931 30.974 31.823 0.137 0.000 0.670 316 V HN 0.602 nan 8.190 nan 0.000 0.461 317 A N -0.614 122.249 122.820 0.072 0.000 2.016 317 A HA -0.083 4.237 4.320 0.001 0.000 0.217 317 A C 2.246 179.854 177.584 0.040 0.000 1.162 317 A CA 1.207 53.272 52.037 0.046 0.000 0.662 317 A CB -0.150 18.867 19.000 0.029 0.000 0.812 317 A HN 0.550 nan 8.150 nan 0.000 0.450 318 K N -0.991 119.439 120.400 0.049 0.000 2.276 318 K HA 0.311 4.631 4.320 0.001 0.000 0.198 318 K C -0.009 176.611 176.600 0.034 0.000 1.052 318 K CA 0.029 56.336 56.287 0.033 0.000 0.984 318 K CB 0.083 32.596 32.500 0.022 0.000 0.836 318 K HN 0.341 nan 8.250 nan 0.000 0.490 319 L N 2.261 123.524 121.223 0.066 0.000 2.399 319 L HA 0.301 4.642 4.340 0.001 0.000 0.265 319 L C -2.272 174.613 176.870 0.024 0.000 1.089 319 L CA -2.430 52.435 54.840 0.041 0.000 0.802 319 L CB 0.316 42.427 42.059 0.087 0.000 1.180 319 L HN -0.182 nan 8.230 nan 0.000 0.454 320 P HA 0.027 nan 4.420 nan 0.000 0.267 320 P C 0.489 177.789 177.300 0.000 0.000 1.200 320 P CA -0.022 63.069 63.100 -0.014 0.000 0.772 320 P CB 0.516 32.191 31.700 -0.041 0.000 0.855 321 T N 0.551 115.115 114.554 0.016 0.000 2.803 321 T HA -0.202 4.148 4.350 0.001 0.000 0.269 321 T C 1.592 176.304 174.700 0.019 0.000 1.052 321 T CA 1.418 63.537 62.100 0.032 0.000 1.136 321 T CB -0.349 68.546 68.868 0.044 0.000 0.864 321 T HN 0.436 nan 8.240 nan 0.000 0.467 322 Q N 0.913 120.712 119.800 -0.002 0.000 2.364 322 Q HA 0.049 4.389 4.340 0.001 0.000 0.207 322 Q C 1.720 177.670 176.000 -0.084 0.000 0.970 322 Q CA 1.250 57.036 55.803 -0.028 0.000 0.888 322 Q CB -0.058 28.658 28.738 -0.037 0.000 0.951 322 Q HN 0.432 nan 8.270 nan 0.000 0.469 323 K N -1.420 118.924 120.400 -0.094 0.000 2.354 323 K HA 0.098 4.418 4.320 0.001 0.000 0.194 323 K C 0.867 177.342 176.600 -0.208 0.000 1.038 323 K CA 0.959 57.160 56.287 -0.144 0.000 1.052 323 K CB 0.723 33.104 32.500 -0.199 0.000 0.861 323 K HN 0.207 nan 8.250 nan 0.000 0.535 324 T N -1.686 112.781 114.554 -0.145 0.000 3.214 324 T HA 0.185 4.536 4.350 0.001 0.000 0.264 324 T C 1.018 175.646 174.700 -0.119 0.000 1.012 324 T CA -0.323 61.669 62.100 -0.181 0.000 0.901 324 T CB 0.315 69.255 68.868 0.120 0.000 1.070 324 T HN -0.087 nan 8.240 nan 0.000 0.561 325 E N 1.419 121.546 120.200 -0.121 0.000 2.058 325 E HA -0.088 4.262 4.350 0.001 0.000 0.194 325 E C 2.211 178.760 176.600 -0.084 0.000 0.997 325 E CA 1.103 57.499 56.400 -0.006 0.000 0.801 325 E CB -0.327 29.408 29.700 0.058 0.000 0.746 325 E HN 0.472 nan 8.360 nan 0.000 0.450 326 V N 1.275 120.981 119.914 -0.346 0.000 2.307 326 V HA -0.219 3.901 4.120 0.001 0.000 0.245 326 V C 2.248 178.229 176.094 -0.189 0.000 1.045 326 V CA 1.441 63.369 62.300 -0.620 0.000 1.024 326 V CB -0.671 30.771 31.823 -0.634 0.000 0.651 326 V HN 0.072 nan 8.190 nan 0.000 0.449 327 F N 0.872 120.737 119.950 -0.142 0.000 2.091 327 F HA -0.199 4.328 4.527 0.001 0.000 0.299 327 F C 2.603 178.373 175.800 -0.050 0.000 1.103 327 F CA 1.777 59.736 58.000 -0.068 0.000 1.228 327 F CB -1.214 37.786 39.000 -0.001 0.000 0.984 327 F HN 0.061 nan 8.300 nan 0.000 0.477 328 R N 0.191 120.798 120.500 0.179 0.000 2.091 328 R HA -0.110 4.230 4.340 0.001 0.000 0.238 328 R C 2.558 178.913 176.300 0.091 0.000 1.136 328 R CA 1.453 57.624 56.100 0.119 0.000 0.959 328 R CB -1.141 29.227 30.300 0.114 0.000 0.856 328 R HN 0.354 nan 8.270 nan 0.000 0.437 329 G N -0.901 107.961 108.800 0.103 0.000 2.418 329 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 329 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 329 G C 1.389 176.320 174.900 0.052 0.000 1.158 329 G CA 0.889 46.076 45.100 0.145 0.000 0.771 329 G HN 0.217 nan 8.290 nan 0.000 0.545 330 V N 1.006 120.922 119.914 0.005 0.000 2.295 330 V HA -0.140 3.980 4.120 0.001 0.000 0.246 330 V C 2.922 178.984 176.094 -0.054 0.000 1.049 330 V CA 1.475 63.746 62.300 -0.048 0.000 1.024 330 V CB -0.472 31.331 31.823 -0.033 0.000 0.648 330 V HN 0.339 nan 8.190 nan 0.000 0.447 331 L N -0.046 121.158 121.223 -0.031 0.000 2.046 331 L HA -0.210 4.131 4.340 0.001 0.000 0.208 331 L C 2.672 179.500 176.870 -0.069 0.000 1.077 331 L CA 1.906 56.711 54.840 -0.058 0.000 0.747 331 L CB -0.589 41.454 42.059 -0.026 0.000 0.896 331 L HN 0.404 nan 8.230 nan 0.000 0.432 332 E N -0.061 120.131 120.200 -0.015 0.000 2.085 332 E HA -0.242 4.109 4.350 0.001 0.000 0.194 332 E C 2.196 178.815 176.600 0.031 0.000 0.994 332 E CA 1.433 57.844 56.400 0.019 0.000 0.801 332 E CB -0.012 29.741 29.700 0.089 0.000 0.743 332 E HN 0.323 nan 8.360 nan 0.000 0.453 333 Q N 0.129 119.961 119.800 0.052 0.000 2.046 333 Q HA -0.057 4.284 4.340 0.001 0.000 0.200 333 Q C 2.533 178.598 176.000 0.107 0.000 0.975 333 Q CA 1.184 57.061 55.803 0.124 0.000 0.836 333 Q CB -0.494 28.286 28.738 0.070 0.000 0.896 333 Q HN 0.393 nan 8.270 nan 0.000 0.428 334 L N 0.549 121.768 121.223 -0.006 0.000 2.261 334 L HA -0.178 4.162 4.340 0.001 0.000 0.216 334 L C 2.639 179.445 176.870 -0.107 0.000 1.114 334 L CA 0.952 55.757 54.840 -0.058 0.000 0.777 334 L CB -0.382 41.573 42.059 -0.173 0.000 0.910 334 L HN 0.215 nan 8.230 nan 0.000 0.440 335 R N -0.082 120.250 120.500 -0.280 0.000 2.120 335 R HA -0.177 4.163 4.340 0.001 0.000 0.234 335 R C 0.950 176.839 176.300 -0.685 0.000 1.123 335 R CA 1.595 57.323 56.100 -0.620 0.000 0.975 335 R CB -0.035 29.685 30.300 -0.967 0.000 0.866 335 R HN 0.402 nan 8.270 nan 0.000 0.446 336 W N -0.962 120.374 121.300 0.060 0.000 2.862 336 W HA 0.256 4.917 4.660 0.001 0.000 0.426 336 W C -0.596 175.967 176.519 0.074 0.000 0.950 336 W CA -1.029 56.337 57.345 0.035 0.000 2.150 336 W CB 0.189 29.646 29.460 -0.004 0.000 1.161 336 W HN -0.116 nan 8.180 nan 0.000 0.696 337 F N 1.849 121.841 119.950 0.070 0.000 2.350 337 F HA 0.614 5.142 4.527 0.001 0.000 0.365 337 F C 1.151 176.971 175.800 0.034 0.000 1.122 337 F CA -0.282 57.744 58.000 0.043 0.000 1.139 337 F CB 0.050 39.043 39.000 -0.012 0.000 1.220 337 F HN 0.108 nan 8.300 nan 0.000 0.499 338 A N 3.720 126.630 122.820 0.149 0.000 5.578 338 A HA -0.056 4.265 4.320 0.001 0.000 0.312 338 A C 0.679 178.361 177.584 0.162 0.000 1.861 338 A CA 1.064 53.196 52.037 0.158 0.000 0.719 338 A CB -1.868 17.279 19.000 0.243 0.000 1.323 338 A HN 1.413 nan 8.150 nan 0.000 0.387 339 G N -3.598 105.292 108.800 0.150 0.000 3.022 339 G HA2 0.540 4.501 3.960 0.001 0.000 0.284 339 G HA3 0.540 4.501 3.960 0.001 0.000 0.284 339 G C 0.283 175.227 174.900 0.073 0.000 1.375 339 G CA 0.447 45.608 45.100 0.102 0.000 0.902 339 G HN 0.639 nan 8.290 nan 0.000 0.538 340 K N -0.419 119.999 120.400 0.030 0.000 2.057 340 K HA -0.093 4.228 4.320 0.001 0.000 0.207 340 K C 2.562 179.195 176.600 0.054 0.000 1.049 340 K CA 1.376 57.668 56.287 0.009 0.000 0.931 340 K CB -0.362 32.114 32.500 -0.040 0.000 0.714 340 K HN 0.472 nan 8.250 nan 0.000 0.440 341 Q N 0.409 120.258 119.800 0.081 0.000 2.030 341 Q HA -0.102 4.238 4.340 0.001 0.000 0.204 341 Q C 2.259 178.335 176.000 0.126 0.000 0.986 341 Q CA 1.394 57.267 55.803 0.116 0.000 0.843 341 Q CB -0.519 28.290 28.738 0.119 0.000 0.904 341 Q HN 0.013 nan 8.270 nan 0.000 0.420 342 V N 0.776 120.765 119.914 0.125 0.000 2.358 342 V HA -0.236 3.885 4.120 0.001 0.000 0.246 342 V C 1.964 178.119 176.094 0.101 0.000 1.047 342 V CA 1.728 64.110 62.300 0.137 0.000 1.035 342 V CB -0.409 31.520 31.823 0.176 0.000 0.658 342 V HN 0.309 nan 8.190 nan 0.000 0.452 343 K N -0.033 120.408 120.400 0.068 0.000 2.209 343 K HA -0.103 4.217 4.320 0.001 0.000 0.204 343 K C 2.211 178.766 176.600 -0.075 0.000 1.048 343 K CA 1.454 57.716 56.287 -0.042 0.000 0.940 343 K CB -0.179 32.277 32.500 -0.075 0.000 0.729 343 K HN 0.369 nan 8.250 nan 0.000 0.451 344 S N 0.270 115.958 115.700 -0.019 0.000 2.522 344 S HA -0.056 4.414 4.470 0.001 0.000 0.227 344 S C 1.735 176.261 174.600 -0.124 0.000 0.986 344 S CA 1.004 59.161 58.200 -0.072 0.000 0.929 344 S CB 0.273 63.532 63.200 0.098 0.000 0.769 344 S HN 0.307 nan 8.310 nan 0.000 0.529 345 V N -2.345 117.565 119.914 -0.006 0.000 3.539 345 V HA 0.588 4.708 4.120 0.001 0.000 0.262 345 V C 0.656 176.755 176.094 0.008 0.000 1.381 345 V CA 0.002 62.314 62.300 0.019 0.000 1.060 345 V CB -0.581 31.318 31.823 0.128 0.000 0.842 345 V HN 0.250 nan 8.190 nan 0.000 0.445 346 A N 2.480 125.305 122.820 0.008 0.000 2.488 346 A HA 0.611 4.931 4.320 0.001 0.000 0.249 346 A C 0.670 178.222 177.584 -0.053 0.000 1.083 346 A CA 0.736 52.780 52.037 0.012 0.000 0.768 346 A CB -0.183 18.845 19.000 0.048 0.000 1.017 346 A HN 1.084 nan 8.150 nan 0.000 0.496 347 S N 2.505 118.189 115.700 -0.027 0.000 2.654 347 S HA 0.523 4.993 4.470 0.001 0.000 0.283 347 S C 0.964 175.537 174.600 -0.045 0.000 1.180 347 S CA -0.759 57.410 58.200 -0.051 0.000 1.021 347 S CB 0.942 64.125 63.200 -0.029 0.000 1.018 347 S HN 0.580 nan 8.310 nan 0.000 0.532 348 L N 1.509 122.691 121.223 -0.068 0.000 2.017 348 L HA 0.025 4.365 4.340 0.001 0.000 0.208 348 L C 2.797 179.679 176.870 0.021 0.000 1.073 348 L CA 1.698 56.515 54.840 -0.038 0.000 0.745 348 L CB -1.157 40.845 42.059 -0.096 0.000 0.894 348 L HN 1.025 nan 8.230 nan 0.000 0.432 349 G N -0.744 108.053 108.800 -0.004 0.000 2.442 349 G HA2 -0.227 3.734 3.960 0.001 0.000 0.219 349 G HA3 -0.227 3.734 3.960 0.001 0.000 0.219 349 G C 1.530 176.458 174.900 0.047 0.000 1.141 349 G CA 0.744 45.852 45.100 0.014 0.000 0.763 349 G HN 0.518 nan 8.290 nan 0.000 0.554 350 G N 0.719 109.542 108.800 0.038 0.000 2.418 350 G HA2 -0.285 3.676 3.960 0.001 0.000 0.217 350 G HA3 -0.285 3.676 3.960 0.001 0.000 0.217 350 G C 1.672 176.631 174.900 0.098 0.000 1.158 350 G CA 1.233 46.364 45.100 0.052 0.000 0.771 350 G HN 0.545 nan 8.290 nan 0.000 0.545 351 N N 0.120 118.900 118.700 0.133 0.000 2.171 351 N HA 0.009 4.750 4.740 0.001 0.000 0.184 351 N C 2.201 177.842 175.510 0.219 0.000 1.021 351 N CA 0.860 54.023 53.050 0.189 0.000 0.854 351 N CB -0.165 38.465 38.487 0.239 0.000 0.994 351 N HN 0.376 nan 8.380 nan 0.000 0.426 352 I N 0.334 121.055 120.570 0.252 0.000 2.142 352 I HA -0.216 3.955 4.170 0.001 0.000 0.240 352 I C 1.515 177.848 176.117 0.359 0.000 1.078 352 I CA 0.732 62.243 61.300 0.352 0.000 1.343 352 I CB -0.217 37.952 38.000 0.280 0.000 1.046 352 I HN 0.213 nan 8.210 nan 0.000 0.405 353 I N 0.269 120.970 120.570 0.219 0.000 2.546 353 I HA -0.157 4.013 4.170 0.001 0.000 0.255 353 I C 2.497 178.676 176.117 0.104 0.000 1.163 353 I CA 1.362 62.752 61.300 0.151 0.000 1.457 353 I CB -1.703 36.336 38.000 0.065 0.000 1.092 353 I HN 0.223 nan 8.210 nan 0.000 0.434 354 T N 1.402 116.014 114.554 0.097 0.000 2.833 354 T HA -0.028 4.322 4.350 0.001 0.000 0.269 354 T C 1.316 176.045 174.700 0.049 0.000 1.054 354 T CA 1.147 63.276 62.100 0.048 0.000 1.135 354 T CB -0.296 68.604 68.868 0.054 0.000 0.869 354 T HN 0.540 nan 8.240 nan 0.000 0.466 355 A N 1.662 124.568 122.820 0.142 0.000 2.687 355 A HA -0.141 4.179 4.320 0.001 0.000 0.299 355 A C 0.913 178.480 177.584 -0.028 0.000 1.497 355 A CA 0.685 52.812 52.037 0.151 0.000 0.751 355 A CB -2.139 17.041 19.000 0.300 0.000 1.048 355 A HN 0.551 nan 8.150 nan 0.000 0.464 356 S N -0.316 115.364 115.700 -0.032 0.000 2.580 356 S HA 0.508 4.979 4.470 0.001 0.000 0.274 356 S C -0.512 174.055 174.600 -0.055 0.000 1.329 356 S CA -0.729 57.443 58.200 -0.046 0.000 1.036 356 S CB 0.700 63.892 63.200 -0.014 0.000 0.919 356 S HN 0.270 nan 8.310 nan 0.000 0.515 357 P HA -0.078 nan 4.420 nan 0.000 0.217 357 P C 0.749 178.034 177.300 -0.024 0.000 1.148 357 P CA 1.215 64.320 63.100 0.008 0.000 0.828 357 P CB -0.181 31.575 31.700 0.092 0.000 0.783 358 I N -5.286 115.272 120.570 -0.021 0.000 3.884 358 I HA 0.257 4.427 4.170 0.001 0.000 0.330 358 I C 0.491 176.575 176.117 -0.055 0.000 1.451 358 I CA -0.496 60.785 61.300 -0.032 0.000 1.165 358 I CB -0.234 37.749 38.000 -0.030 0.000 1.097 358 I HN -0.234 nan 8.210 nan 0.000 0.404 359 S N 1.570 117.235 115.700 -0.059 0.000 2.552 359 S HA -0.004 4.467 4.470 0.001 0.000 0.289 359 S C 0.921 175.493 174.600 -0.047 0.000 1.304 359 S CA 0.034 58.207 58.200 -0.044 0.000 1.063 359 S CB 0.395 63.580 63.200 -0.026 0.000 0.848 359 S HN 0.403 nan 8.310 nan 0.000 0.499 360 D N 3.791 124.173 120.400 -0.030 0.000 2.348 360 D HA 0.085 4.725 4.640 0.001 0.000 0.211 360 D C 1.477 177.751 176.300 -0.043 0.000 0.998 360 D CA 0.571 54.563 54.000 -0.013 0.000 0.873 360 D CB 0.229 41.040 40.800 0.019 0.000 0.925 360 D HN 0.516 nan 8.370 nan 0.000 0.524 361 L N 0.311 121.491 121.223 -0.072 0.000 2.316 361 L HA 0.054 4.394 4.340 0.001 0.000 0.207 361 L C 1.964 178.515 176.870 -0.533 0.000 1.070 361 L CA 0.179 54.776 54.840 -0.406 0.000 0.820 361 L CB -0.144 41.663 42.059 -0.419 0.000 0.992 361 L HN -0.170 nan 8.230 nan 0.000 0.466 362 N N 0.635 119.245 118.700 -0.150 0.000 2.149 362 N HA -0.135 4.605 4.740 0.001 0.000 0.188 362 N C -0.885 174.636 175.510 0.019 0.000 1.019 362 N CA 1.422 54.500 53.050 0.047 0.000 0.857 362 N CB -1.217 37.281 38.487 0.017 0.000 0.997 362 N HN 0.230 nan 8.380 nan 0.000 0.426 363 P HA -0.027 nan 4.420 nan 0.000 0.219 363 P C 1.673 178.972 177.300 -0.002 0.000 1.150 363 P CA 0.584 63.663 63.100 -0.035 0.000 0.814 363 P CB 0.208 31.860 31.700 -0.080 0.000 0.787 364 V N -1.370 118.507 119.914 -0.063 0.000 2.379 364 V HA -0.186 3.934 4.120 0.001 0.000 0.245 364 V C 2.104 178.283 176.094 0.142 0.000 1.044 364 V CA 1.647 63.985 62.300 0.063 0.000 1.036 364 V CB -1.266 30.484 31.823 -0.122 0.000 0.664 364 V HN 0.072 nan 8.190 nan 0.000 0.453 365 F N -0.887 119.106 119.950 0.072 0.000 2.186 365 F HA -0.216 4.312 4.527 0.001 0.000 0.299 365 F C 2.485 178.319 175.800 0.056 0.000 1.090 365 F CA 1.632 59.649 58.000 0.028 0.000 1.307 365 F CB -0.198 38.816 39.000 0.022 0.000 1.019 365 F HN 0.121 nan 8.300 nan 0.000 0.489 366 M N 0.443 120.221 119.600 0.296 0.000 2.099 366 M HA -0.143 4.337 4.480 0.001 0.000 0.262 366 M C 2.422 178.836 176.300 0.189 0.000 1.067 366 M CA 1.882 57.326 55.300 0.240 0.000 1.124 366 M CB -0.227 32.535 32.600 0.269 0.000 1.353 366 M HN 0.118 nan 8.290 nan 0.000 0.410 367 A N -0.085 122.846 122.820 0.186 0.000 1.972 367 A HA -0.142 4.179 4.320 0.001 0.000 0.219 367 A C 2.078 179.823 177.584 0.269 0.000 1.169 367 A CA 2.011 54.159 52.037 0.185 0.000 0.635 367 A CB -0.863 18.202 19.000 0.107 0.000 0.810 367 A HN 0.720 nan 8.150 nan 0.000 0.446 368 S N -1.931 113.927 115.700 0.263 0.000 2.575 368 S HA 0.382 4.852 4.470 0.001 0.000 0.215 368 S C 1.312 175.940 174.600 0.047 0.000 0.966 368 S CA 0.895 59.160 58.200 0.108 0.000 0.911 368 S CB -0.370 62.749 63.200 -0.135 0.000 0.780 368 S HN 1.885 nan 8.310 nan 0.000 0.514 369 G N 1.539 110.383 108.800 0.073 0.000 2.249 369 G HA2 -0.256 3.704 3.960 0.001 0.000 0.273 369 G HA3 -0.256 3.704 3.960 0.001 0.000 0.273 369 G C 0.085 174.966 174.900 -0.032 0.000 1.036 369 G CA 0.276 45.390 45.100 0.023 0.000 0.824 369 G HN 0.568 nan 8.290 nan 0.000 0.504 370 T N 0.866 115.404 114.554 -0.027 0.000 2.905 370 T HA 0.210 4.561 4.350 0.001 0.000 0.299 370 T C 0.980 175.566 174.700 -0.190 0.000 1.024 370 T CA 0.562 62.590 62.100 -0.120 0.000 1.151 370 T CB 0.537 69.294 68.868 -0.183 0.000 0.987 370 T HN 0.432 nan 8.240 nan 0.000 0.535 371 K N 3.324 123.612 120.400 -0.187 0.000 2.322 371 K HA 0.323 4.643 4.320 0.001 0.000 0.283 371 K C -0.322 176.136 176.600 -0.237 0.000 1.042 371 K CA -0.218 55.956 56.287 -0.188 0.000 0.958 371 K CB 0.537 32.951 32.500 -0.144 0.000 0.984 371 K HN 0.465 nan 8.250 nan 0.000 0.473 372 L N 2.779 123.852 121.223 -0.250 0.000 2.305 372 L HA 0.279 4.620 4.340 0.001 0.000 0.284 372 L C -0.163 176.604 176.870 -0.171 0.000 1.013 372 L CA -0.710 53.974 54.840 -0.260 0.000 0.819 372 L CB 1.766 43.592 42.059 -0.389 0.000 1.227 372 L HN 0.543 nan 8.230 nan 0.000 0.417 373 T N 4.736 119.208 114.554 -0.137 0.000 2.738 373 T HA 0.550 4.900 4.350 0.001 0.000 0.298 373 T C 0.034 174.689 174.700 -0.074 0.000 0.962 373 T CA -0.125 61.917 62.100 -0.096 0.000 0.972 373 T CB 0.348 69.163 68.868 -0.089 0.000 0.928 373 T HN 0.265 nan 8.240 nan 0.000 0.474 374 I N 4.249 124.786 120.570 -0.055 0.000 2.377 374 I HA 0.628 4.799 4.170 0.001 0.000 0.293 374 I C 0.095 176.193 176.117 -0.031 0.000 0.987 374 I CA -1.063 60.217 61.300 -0.032 0.000 1.185 374 I CB 1.570 39.566 38.000 -0.007 0.000 1.341 374 I HN 0.341 nan 8.210 nan 0.000 0.455 375 V N 2.221 122.117 119.914 -0.030 0.000 3.130 375 V HA 0.955 5.075 4.120 0.001 0.000 0.310 375 V C -0.406 175.671 176.094 -0.028 0.000 1.158 375 V CA -0.482 61.800 62.300 -0.029 0.000 1.029 375 V CB 1.798 33.602 31.823 -0.031 0.000 1.057 375 V HN 0.858 nan 8.190 nan 0.000 0.436 376 S N 1.350 117.034 115.700 -0.027 0.000 2.625 376 S HA 0.599 5.069 4.470 0.001 0.000 0.271 376 S C -0.601 173.984 174.600 -0.026 0.000 1.161 376 S CA -0.969 57.215 58.200 -0.028 0.000 0.820 376 S CB 1.806 64.989 63.200 -0.028 0.000 1.137 376 S HN 1.227 nan 8.310 nan 0.000 0.470 377 R N 0.292 120.776 120.500 -0.026 0.000 2.446 377 R HA 0.403 4.744 4.340 0.001 0.000 0.325 377 R C 1.376 177.663 176.300 -0.022 0.000 0.997 377 R CA 1.615 57.701 56.100 -0.024 0.000 1.010 377 R CB -0.856 29.430 30.300 -0.025 0.000 0.946 377 R HN 1.656 nan 8.270 nan 0.000 0.422 378 G N 2.558 111.346 108.800 -0.021 0.000 2.176 378 G HA2 -0.288 3.672 3.960 0.001 0.000 0.253 378 G HA3 -0.288 3.672 3.960 0.001 0.000 0.253 378 G C -0.051 174.837 174.900 -0.020 0.000 0.979 378 G CA 0.385 45.473 45.100 -0.020 0.000 0.641 378 G HN 0.837 nan 8.290 nan 0.000 0.530 379 T N -2.882 111.659 114.554 -0.022 0.000 2.903 379 T HA 0.765 5.116 4.350 0.001 0.000 0.299 379 T C -0.830 173.856 174.700 -0.024 0.000 1.093 379 T CA -0.324 61.762 62.100 -0.022 0.000 1.002 379 T CB 2.985 71.840 68.868 -0.022 0.000 1.127 379 T HN 0.800 nan 8.240 nan 0.000 0.488 380 R N 1.195 121.680 120.500 -0.025 0.000 2.584 380 R HA 0.650 4.990 4.340 0.001 0.000 0.276 380 R C -1.398 174.884 176.300 -0.030 0.000 1.046 380 R CA -0.774 55.309 56.100 -0.029 0.000 0.906 380 R CB 1.597 31.879 30.300 -0.030 0.000 1.215 380 R HN 1.055 nan 8.270 nan 0.000 0.449 381 R N 1.141 121.620 120.500 -0.034 0.000 2.629 381 R HA 0.438 4.779 4.340 0.001 0.000 0.266 381 R C -1.789 174.482 176.300 -0.047 0.000 1.051 381 R CA -0.881 55.198 56.100 -0.036 0.000 0.895 381 R CB 2.136 32.419 30.300 -0.028 0.000 1.246 381 R HN 0.424 nan 8.270 nan 0.000 0.459 382 T N 2.026 116.549 114.554 -0.053 0.000 2.812 382 T HA 0.498 4.848 4.350 0.001 0.000 0.282 382 T C -0.628 174.028 174.700 -0.074 0.000 0.990 382 T CA -0.629 61.428 62.100 -0.072 0.000 0.960 382 T CB 1.480 70.304 68.868 -0.074 0.000 0.948 382 T HN 0.554 nan 8.240 nan 0.000 0.438 383 V N 1.670 121.525 119.914 -0.098 0.000 2.789 383 V HA 0.847 4.967 4.120 0.001 0.000 0.311 383 V C -2.939 173.069 176.094 -0.143 0.000 1.073 383 V CA -3.026 59.216 62.300 -0.096 0.000 0.921 383 V CB 2.174 33.955 31.823 -0.070 0.000 1.009 383 V HN 0.578 nan 8.190 nan 0.000 0.426 384 P HA 0.252 nan 4.420 nan 0.000 0.280 384 P C -0.375 176.839 177.300 -0.143 0.000 1.244 384 P CA -0.435 62.594 63.100 -0.118 0.000 0.784 384 P CB 1.219 32.881 31.700 -0.063 0.000 0.913 385 M N 3.755 123.244 119.600 -0.185 0.000 2.217 385 M HA 0.092 4.573 4.480 0.001 0.000 0.352 385 M C -0.344 175.958 176.300 0.004 0.000 1.376 385 M CA 0.756 55.940 55.300 -0.193 0.000 1.107 385 M CB -0.081 32.407 32.600 -0.187 0.000 1.723 385 M HN 0.410 nan 8.290 nan 0.000 0.461 386 D N 2.408 122.840 120.400 0.055 0.000 2.732 386 D HA 0.181 4.822 4.640 0.001 0.000 0.292 386 D C 0.862 177.275 176.300 0.188 0.000 1.135 386 D CA -0.376 53.703 54.000 0.132 0.000 1.071 386 D CB 0.131 40.978 40.800 0.079 0.000 1.457 386 D HN 0.690 nan 8.370 nan 0.000 0.547 387 H N -1.355 117.824 119.070 0.182 0.000 2.489 387 H HA -0.127 4.430 4.556 0.001 0.000 0.295 387 H C 1.240 176.694 175.328 0.210 0.000 1.082 387 H CA 2.035 58.209 56.048 0.211 0.000 1.295 387 H CB -1.002 28.847 29.762 0.146 0.000 1.380 387 H HN 0.524 nan 8.280 nan 0.000 0.548 388 T N -2.586 111.728 114.554 -0.401 0.000 3.055 388 T HA -0.102 4.249 4.350 0.001 0.000 0.265 388 T C 1.781 176.441 174.700 -0.067 0.000 1.111 388 T CA 0.194 62.155 62.100 -0.232 0.000 1.118 388 T CB -0.877 67.813 68.868 -0.296 0.000 0.909 388 T HN 0.232 nan 8.240 nan 0.000 0.501 389 F N 1.803 121.630 119.950 -0.205 0.000 2.333 389 F HA 0.257 4.785 4.527 0.001 0.000 0.300 389 F C -0.046 175.426 175.800 -0.546 0.000 1.083 389 F CA -0.267 57.493 58.000 -0.399 0.000 1.395 389 F CB -0.230 38.435 39.000 -0.557 0.000 1.056 389 F HN 0.166 nan 8.300 nan 0.000 0.529 390 F N 1.022 120.970 119.950 -0.003 0.000 2.319 390 F HA 0.335 4.862 4.527 0.001 0.000 0.356 390 F C -1.643 174.139 175.800 -0.031 0.000 1.100 390 F CA -2.235 55.731 58.000 -0.057 0.000 1.220 390 F CB 0.272 39.306 39.000 0.058 0.000 1.506 390 F HN -0.193 nan 8.300 nan 0.000 0.512 391 P HA -0.121 nan 4.420 nan 0.000 0.214 391 P C 0.107 177.452 177.300 0.075 0.000 1.163 391 P CA 1.394 64.508 63.100 0.024 0.000 0.883 391 P CB 0.276 31.951 31.700 -0.041 0.000 0.788 392 S N -4.581 111.170 115.700 0.086 0.000 2.727 392 S HA 0.303 4.774 4.470 0.001 0.000 0.278 392 S C -1.163 173.530 174.600 0.156 0.000 1.186 392 S CA -0.980 57.292 58.200 0.120 0.000 0.836 392 S CB -0.050 63.208 63.200 0.098 0.000 1.186 392 S HN -0.034 nan 8.310 nan 0.000 0.499 393 Y N 3.151 123.478 120.300 0.045 0.000 2.887 393 Y HA 0.102 4.653 4.550 0.001 0.000 0.350 393 Y C 1.395 177.324 175.900 0.049 0.000 1.294 393 Y CA 1.039 59.165 58.100 0.042 0.000 1.622 393 Y CB -0.146 38.333 38.460 0.031 0.000 1.201 393 Y HN 0.777 nan 8.280 nan 0.000 0.546 394 R N 2.048 122.291 120.500 -0.429 0.000 3.953 394 R HA -0.244 4.096 4.340 0.001 0.000 0.340 394 R C -0.711 175.507 176.300 -0.137 0.000 1.195 394 R CA 1.189 57.060 56.100 -0.380 0.000 0.929 394 R CB -1.692 28.235 30.300 -0.621 0.000 1.402 394 R HN 0.688 nan 8.270 nan 0.000 0.540 395 K N 0.403 120.774 120.400 -0.048 0.000 2.318 395 K HA 0.482 4.802 4.320 0.001 0.000 0.249 395 K C 0.478 177.006 176.600 -0.119 0.000 0.942 395 K CA -0.294 55.953 56.287 -0.067 0.000 0.808 395 K CB 2.252 34.719 32.500 -0.055 0.000 1.189 395 K HN 0.145 nan 8.250 nan 0.000 0.428 396 T N -2.123 112.254 114.554 -0.296 0.000 2.910 396 T HA 0.394 4.744 4.350 0.001 0.000 0.287 396 T C 0.620 174.935 174.700 -0.642 0.000 1.050 396 T CA -0.944 60.711 62.100 -0.742 0.000 1.011 396 T CB 0.584 68.894 68.868 -0.929 0.000 1.195 396 T HN 0.410 nan 8.240 nan 0.000 0.540 397 L N 0.595 121.277 121.223 -0.902 0.000 2.672 397 L HA 0.312 4.652 4.340 0.001 0.000 0.236 397 L C 0.063 176.785 176.870 -0.247 0.000 1.186 397 L CA -0.145 54.438 54.840 -0.430 0.000 0.977 397 L CB -0.542 41.340 42.059 -0.294 0.000 1.203 397 L HN 0.378 nan 8.230 nan 0.000 0.448 398 L N 0.008 121.081 121.223 -0.250 0.000 2.371 398 L HA 0.338 4.679 4.340 0.001 0.000 0.272 398 L C 1.049 177.863 176.870 -0.093 0.000 1.124 398 L CA -0.292 54.483 54.840 -0.108 0.000 0.816 398 L CB 0.971 42.985 42.059 -0.075 0.000 1.129 398 L HN 0.078 nan 8.230 nan 0.000 0.448 399 G N 1.786 110.549 108.800 -0.061 0.000 2.539 399 G HA2 0.252 4.212 3.960 0.001 0.000 0.258 399 G HA3 0.252 4.212 3.960 0.001 0.000 0.258 399 G C -1.395 173.474 174.900 -0.052 0.000 1.202 399 G CA -0.863 44.205 45.100 -0.054 0.000 0.851 399 G HN 0.544 nan 8.290 nan 0.000 0.556 400 P HA -0.103 nan 4.420 nan 0.000 0.219 400 P C 0.787 178.063 177.300 -0.041 0.000 1.146 400 P CA 1.267 64.341 63.100 -0.044 0.000 0.808 400 P CB 0.410 32.089 31.700 -0.035 0.000 0.779 401 E N -0.595 119.582 120.200 -0.039 0.000 2.472 401 E HA 0.064 4.415 4.350 0.001 0.000 0.196 401 E C 0.443 177.021 176.600 -0.037 0.000 1.033 401 E CA -0.051 56.327 56.400 -0.037 0.000 0.886 401 E CB 0.161 29.840 29.700 -0.035 0.000 0.944 401 E HN 0.502 nan 8.360 nan 0.000 0.492 402 E N 0.929 121.107 120.200 -0.038 0.000 2.283 402 E HA 0.418 4.769 4.350 0.001 0.000 0.267 402 E C -0.352 176.227 176.600 -0.036 0.000 1.045 402 E CA -0.571 55.809 56.400 -0.034 0.000 0.884 402 E CB 1.382 31.065 29.700 -0.028 0.000 1.106 402 E HN 0.002 nan 8.360 nan 0.000 0.408 403 I N -1.660 118.891 120.570 -0.032 0.000 2.865 403 I HA 0.344 4.514 4.170 0.001 0.000 0.302 403 I C -1.314 174.788 176.117 -0.025 0.000 1.140 403 I CA -1.303 59.977 61.300 -0.033 0.000 1.021 403 I CB 1.060 39.034 38.000 -0.043 0.000 1.233 403 I HN 0.286 nan 8.210 nan 0.000 0.427 404 L N 4.075 125.286 121.223 -0.020 0.000 2.315 404 L HA 0.371 4.712 4.340 0.001 0.000 0.283 404 L C 0.360 177.206 176.870 -0.040 0.000 1.089 404 L CA 0.114 54.939 54.840 -0.024 0.000 0.833 404 L CB 0.934 42.986 42.059 -0.012 0.000 1.170 404 L HN 0.879 nan 8.230 nan 0.000 0.442 405 L N 3.956 125.150 121.223 -0.049 0.000 2.130 405 L HA 0.325 4.665 4.340 0.001 0.000 0.200 405 L C 0.707 177.542 176.870 -0.058 0.000 1.075 405 L CA 1.376 56.187 54.840 -0.049 0.000 0.768 405 L CB 0.004 42.034 42.059 -0.048 0.000 0.933 405 L HN 0.850 nan 8.230 nan 0.000 0.451 406 S N -1.849 113.805 115.700 -0.077 0.000 2.625 406 S HA 0.687 5.158 4.470 0.001 0.000 0.271 406 S C -0.999 173.525 174.600 -0.127 0.000 1.161 406 S CA -0.779 57.368 58.200 -0.088 0.000 0.820 406 S CB 1.764 64.910 63.200 -0.090 0.000 1.137 406 S HN -0.068 nan 8.310 nan 0.000 0.470 407 I N 0.873 121.363 120.570 -0.132 0.000 2.569 407 I HA 0.482 4.653 4.170 0.001 0.000 0.290 407 I C -0.606 175.415 176.117 -0.160 0.000 1.088 407 I CA -0.181 60.994 61.300 -0.209 0.000 1.047 407 I CB 2.088 39.893 38.000 -0.324 0.000 1.237 407 I HN 0.886 nan 8.210 nan 0.000 0.421 408 E N 6.744 126.829 120.200 -0.191 0.000 2.102 408 E HA 0.486 4.837 4.350 0.001 0.000 0.263 408 E C -1.016 175.497 176.600 -0.145 0.000 0.894 408 E CA -0.512 55.790 56.400 -0.164 0.000 0.746 408 E CB 0.885 30.485 29.700 -0.166 0.000 1.129 408 E HN 0.501 nan 8.360 nan 0.000 0.416 409 I N 7.443 127.975 120.570 -0.064 0.000 2.396 409 I HA 0.185 4.356 4.170 0.001 0.000 0.289 409 I C -1.817 174.312 176.117 0.021 0.000 1.056 409 I CA -1.859 59.457 61.300 0.026 0.000 1.365 409 I CB 0.583 38.695 38.000 0.187 0.000 1.407 409 I HN 0.357 nan 8.210 nan 0.000 0.509 410 P HA 0.066 nan 4.420 nan 0.000 0.274 410 P C -1.094 176.004 177.300 -0.336 0.000 1.231 410 P CA -0.049 62.941 63.100 -0.185 0.000 0.790 410 P CB 0.556 32.175 31.700 -0.134 0.000 0.951 411 Y N 0.294 120.450 120.300 -0.241 0.000 2.326 411 Y HA 0.114 4.665 4.550 0.001 0.000 0.333 411 Y C 1.693 177.388 175.900 -0.341 0.000 1.240 411 Y CA -0.175 57.668 58.100 -0.429 0.000 1.365 411 Y CB 0.682 39.007 38.460 -0.224 0.000 1.289 411 Y HN 0.361 nan 8.280 nan 0.000 0.548 412 S N 2.754 118.335 115.700 -0.198 0.000 2.610 412 S HA 0.599 5.069 4.470 0.001 0.000 0.273 412 S C -0.344 174.178 174.600 -0.130 0.000 1.274 412 S CA -1.089 57.009 58.200 -0.170 0.000 1.023 412 S CB 1.460 64.549 63.200 -0.183 0.000 0.962 412 S HN 0.633 nan 8.310 nan 0.000 0.523 413 R N 0.232 120.651 120.500 -0.136 0.000 2.606 413 R HA 0.424 4.765 4.340 0.001 0.000 0.249 413 R C -0.065 176.128 176.300 -0.179 0.000 1.127 413 R CA -0.930 55.093 56.100 -0.128 0.000 1.133 413 R CB 0.415 30.655 30.300 -0.099 0.000 1.243 413 R HN 0.638 nan 8.270 nan 0.000 0.558 414 E N 1.720 121.834 120.200 -0.144 0.000 2.398 414 E HA -0.055 4.295 4.350 0.001 0.000 0.263 414 E C -0.302 176.176 176.600 -0.202 0.000 1.046 414 E CA 0.525 56.833 56.400 -0.154 0.000 0.908 414 E CB 0.281 29.930 29.700 -0.085 0.000 0.963 414 E HN 0.553 nan 8.360 nan 0.000 0.431 415 D N 0.712 120.947 120.400 -0.273 0.000 3.059 415 D HA -0.215 4.425 4.640 0.001 0.000 0.220 415 D C -0.009 176.033 176.300 -0.429 0.000 1.169 415 D CA 1.170 55.034 54.000 -0.226 0.000 0.902 415 D CB -0.754 40.048 40.800 0.005 0.000 1.116 415 D HN 0.537 nan 8.370 nan 0.000 0.417 416 E N -0.337 119.423 120.200 -0.734 0.000 2.191 416 E HA 0.523 4.874 4.350 0.001 0.000 0.263 416 E C -0.947 175.187 176.600 -0.776 0.000 0.881 416 E CA -0.505 55.563 56.400 -0.554 0.000 0.757 416 E CB 1.023 30.563 29.700 -0.267 0.000 1.147 416 E HN -0.097 nan 8.360 nan 0.000 0.414 417 F N 3.406 123.394 119.950 0.063 0.000 2.563 417 F HA 0.583 5.111 4.527 0.001 0.000 0.316 417 F C -0.624 175.331 175.800 0.259 0.000 1.076 417 F CA -0.951 57.113 58.000 0.106 0.000 0.921 417 F CB 1.520 40.523 39.000 0.005 0.000 1.209 417 F HN 0.385 nan 8.300 nan 0.000 0.462 418 F N 0.473 120.585 119.950 0.270 0.000 2.588 418 F HA 0.733 5.261 4.527 0.001 0.000 0.310 418 F C -0.700 175.156 175.800 0.093 0.000 1.082 418 F CA -0.366 57.724 58.000 0.149 0.000 0.929 418 F CB 2.078 41.083 39.000 0.007 0.000 1.254 418 F HN 0.372 nan 8.300 nan 0.000 0.455 419 S N 2.152 117.520 115.700 -0.553 0.000 2.541 419 S HA 0.902 5.372 4.470 0.001 0.000 0.271 419 S C -1.557 172.454 174.600 -0.982 0.000 1.133 419 S CA -0.611 57.233 58.200 -0.594 0.000 0.876 419 S CB 1.855 64.761 63.200 -0.491 0.000 1.105 419 S HN 0.874 nan 8.310 nan 0.000 0.470 420 A N 2.315 124.603 122.820 -0.886 0.000 2.381 420 A HA 0.879 5.199 4.320 0.001 0.000 0.299 420 A C -1.479 175.623 177.584 -0.804 0.000 1.049 420 A CA -0.517 51.114 52.037 -0.678 0.000 0.715 420 A CB 0.628 19.519 19.000 -0.181 0.000 1.222 420 A HN 0.639 nan 8.150 nan 0.000 0.428 421 F N 0.939 120.636 119.950 -0.421 0.000 2.588 421 F HA 0.725 5.253 4.527 0.001 0.000 0.314 421 F C 0.137 175.631 175.800 -0.511 0.000 1.069 421 F CA -0.740 56.897 58.000 -0.606 0.000 0.931 421 F CB 2.638 40.827 39.000 -1.352 0.000 1.260 421 F HN 0.568 nan 8.300 nan 0.000 0.465 422 K N 1.998 122.355 120.400 -0.072 0.000 2.501 422 K HA 0.540 4.860 4.320 0.001 0.000 0.252 422 K C -1.899 174.767 176.600 0.111 0.000 0.934 422 K CA -0.708 55.615 56.287 0.060 0.000 0.797 422 K CB 2.258 34.803 32.500 0.074 0.000 1.270 422 K HN 0.614 nan 8.250 nan 0.000 0.431 423 Q N 2.600 122.535 119.800 0.224 0.000 2.305 423 Q HA 0.707 5.048 4.340 0.001 0.000 0.271 423 Q C -1.927 174.110 176.000 0.062 0.000 1.046 423 Q CA -0.355 55.531 55.803 0.139 0.000 0.798 423 Q CB 2.213 31.076 28.738 0.207 0.000 1.286 423 Q HN 0.772 nan 8.270 nan 0.000 0.435 424 A N 1.760 124.599 122.820 0.031 0.000 3.827 424 A HA 0.726 5.046 4.320 0.001 0.000 0.199 424 A C 0.109 177.741 177.584 0.080 0.000 0.867 424 A CA 0.185 52.247 52.037 0.042 0.000 0.776 424 A CB 0.434 19.428 19.000 -0.010 0.000 1.446 424 A HN 0.645 nan 8.150 nan 0.000 0.768 425 S N -0.895 114.829 115.700 0.039 0.000 2.456 425 S HA 0.215 4.685 4.470 0.001 0.000 0.224 425 S C 0.864 175.449 174.600 -0.025 0.000 1.035 425 S CA 0.458 58.674 58.200 0.026 0.000 0.940 425 S CB 0.033 63.245 63.200 0.020 0.000 0.799 425 S HN 0.560 nan 8.310 nan 0.000 0.508 426 R N 0.516 120.984 120.500 -0.054 0.000 2.725 426 R HA 0.419 4.759 4.340 0.001 0.000 0.277 426 R C 0.546 176.769 176.300 -0.129 0.000 0.987 426 R CA -0.677 55.370 56.100 -0.089 0.000 0.901 426 R CB 1.002 31.250 30.300 -0.086 0.000 1.207 426 R HN -0.035 nan 8.270 nan 0.000 0.463 427 R N 1.069 121.445 120.500 -0.207 0.000 2.070 427 R HA -0.109 4.232 4.340 0.001 0.000 0.233 427 R C -0.176 176.063 176.300 -0.102 0.000 1.137 427 R CA 1.596 57.481 56.100 -0.358 0.000 0.945 427 R CB -0.079 29.874 30.300 -0.577 0.000 0.845 427 R HN 0.566 nan 8.270 nan 0.000 0.430 428 E N 0.795 121.008 120.200 0.022 0.000 2.301 428 E HA 0.022 4.373 4.350 0.001 0.000 0.275 428 E C -0.556 176.097 176.600 0.090 0.000 1.030 428 E CA -0.248 56.237 56.400 0.143 0.000 0.852 428 E CB 0.671 30.450 29.700 0.132 0.000 1.060 428 E HN 0.031 nan 8.360 nan 0.000 0.401 429 D N 1.670 122.141 120.400 0.119 0.000 2.886 429 D HA -0.222 4.418 4.640 0.001 0.000 0.221 429 D C -1.188 175.130 176.300 0.029 0.000 1.227 429 D CA 0.931 54.977 54.000 0.076 0.000 0.746 429 D CB -0.566 40.288 40.800 0.090 0.000 0.935 429 D HN 0.374 nan 8.370 nan 0.000 0.399 430 D N 0.038 120.442 120.400 0.008 0.000 2.531 430 D HA 0.493 5.134 4.640 0.001 0.000 0.244 430 D C -0.106 176.167 176.300 -0.045 0.000 1.090 430 D CA -0.695 53.294 54.000 -0.018 0.000 0.989 430 D CB 1.155 41.941 40.800 -0.023 0.000 1.433 430 D HN 0.162 nan 8.370 nan 0.000 0.492 431 I N 1.375 121.921 120.570 -0.040 0.000 2.428 431 I HA 0.397 4.567 4.170 0.001 0.000 0.289 431 I C 0.655 176.751 176.117 -0.034 0.000 1.019 431 I CA -0.739 60.530 61.300 -0.053 0.000 1.351 431 I CB 1.403 39.382 38.000 -0.036 0.000 1.412 431 I HN 0.394 nan 8.210 nan 0.000 0.513 432 A N 6.706 129.501 122.820 -0.042 0.000 2.498 432 A HA 0.142 4.462 4.320 0.001 0.000 0.239 432 A C 1.050 178.630 177.584 -0.007 0.000 1.068 432 A CA -0.070 51.961 52.037 -0.011 0.000 0.766 432 A CB 0.428 19.427 19.000 -0.001 0.000 1.003 432 A HN 0.734 nan 8.150 nan 0.000 0.497 433 K N 0.624 121.021 120.400 -0.005 0.000 2.128 433 K HA 0.221 4.542 4.320 0.001 0.000 0.202 433 K C -0.137 176.420 176.600 -0.072 0.000 1.050 433 K CA 1.110 57.371 56.287 -0.042 0.000 0.966 433 K CB 0.201 32.666 32.500 -0.060 0.000 0.759 433 K HN 0.536 nan 8.250 nan 0.000 0.454 434 V N 0.247 120.141 119.914 -0.033 0.000 2.851 434 V HA 0.277 4.398 4.120 0.001 0.000 0.307 434 V C -0.697 175.559 176.094 0.269 0.000 1.129 434 V CA -0.877 61.458 62.300 0.057 0.000 0.932 434 V CB 2.086 33.855 31.823 -0.091 0.000 1.024 434 V HN 0.133 nan 8.190 nan 0.000 0.426 435 T N 3.154 117.863 114.554 0.259 0.000 2.903 435 T HA 0.795 5.145 4.350 0.001 0.000 0.299 435 T C -0.909 173.864 174.700 0.121 0.000 1.093 435 T CA -0.088 62.124 62.100 0.187 0.000 1.002 435 T CB 1.371 70.278 68.868 0.064 0.000 1.127 435 T HN 1.393 nan 8.240 nan 0.000 0.488 436 C N 1.098 120.359 119.300 -0.063 0.000 3.288 436 C HA 1.028 5.489 4.460 0.001 0.000 0.318 436 C C 0.012 174.783 174.990 -0.364 0.000 1.356 436 C CA -0.487 58.374 59.018 -0.262 0.000 1.359 436 C CB 0.915 28.385 27.740 -0.450 0.000 1.688 436 C HN 1.198 nan 8.230 nan 0.000 0.467 437 G N 1.294 109.838 108.800 -0.426 0.000 2.643 437 G HA2 0.722 4.682 3.960 0.001 0.000 0.305 437 G HA3 0.722 4.682 3.960 0.001 0.000 0.305 437 G C -1.271 173.188 174.900 -0.735 0.000 1.387 437 G CA -0.637 44.180 45.100 -0.472 0.000 0.982 437 G HN 0.874 nan 8.290 nan 0.000 0.501 438 M N 1.925 120.768 119.600 -1.261 0.000 2.326 438 M HA 0.519 5.000 4.480 0.001 0.000 0.292 438 M C -0.454 175.076 176.300 -1.284 0.000 1.081 438 M CA -0.720 53.835 55.300 -1.242 0.000 0.919 438 M CB 3.390 34.975 32.600 -1.692 0.000 1.634 438 M HN 0.526 nan 8.290 nan 0.000 0.451 439 R N 1.821 122.019 120.500 -0.503 0.000 2.744 439 R HA 0.876 5.217 4.340 0.001 0.000 0.279 439 R C -2.181 174.230 176.300 0.185 0.000 0.977 439 R CA -0.699 55.397 56.100 -0.007 0.000 0.906 439 R CB 2.678 33.107 30.300 0.215 0.000 1.197 439 R HN 0.616 nan 8.270 nan 0.000 0.463 440 V N 5.383 125.415 119.914 0.195 0.000 2.808 440 V HA 0.566 4.686 4.120 0.001 0.000 0.308 440 V C -1.892 174.050 176.094 -0.253 0.000 1.099 440 V CA -0.828 61.431 62.300 -0.070 0.000 0.920 440 V CB 1.951 33.582 31.823 -0.320 0.000 1.014 440 V HN 0.707 nan 8.190 nan 0.000 0.425 441 L N 7.137 128.165 121.223 -0.325 0.000 2.343 441 L HA 0.725 5.066 4.340 0.001 0.000 0.278 441 L C -1.220 175.456 176.870 -0.324 0.000 0.996 441 L CA 0.105 54.791 54.840 -0.256 0.000 0.831 441 L CB 1.345 43.332 42.059 -0.120 0.000 1.232 441 L HN 0.571 nan 8.230 nan 0.000 0.413 442 F N 2.236 122.153 119.950 -0.054 0.000 2.408 442 F HA 0.514 5.042 4.527 0.001 0.000 0.325 442 F C 0.799 176.575 175.800 -0.040 0.000 1.082 442 F CA -0.535 57.445 58.000 -0.034 0.000 1.032 442 F CB 0.769 39.762 39.000 -0.012 0.000 1.259 442 F HN 0.398 nan 8.300 nan 0.000 0.503 443 Q N 1.365 121.273 119.800 0.179 0.000 2.421 443 Q HA 0.149 4.490 4.340 0.001 0.000 0.255 443 Q C -2.294 173.760 176.000 0.089 0.000 1.013 443 Q CA -1.711 54.143 55.803 0.085 0.000 0.895 443 Q CB 0.087 28.856 28.738 0.052 0.000 1.271 443 Q HN 0.174 nan 8.270 nan 0.000 0.460 444 P HA -0.103 nan 4.420 nan 0.000 0.257 444 P C 0.460 177.784 177.300 0.041 0.000 1.162 444 P CA 1.418 64.540 63.100 0.037 0.000 0.762 444 P CB 0.017 31.731 31.700 0.023 0.000 0.753 445 G N 2.344 111.165 108.800 0.034 0.000 2.180 445 G HA2 -0.272 3.688 3.960 0.001 0.000 0.263 445 G HA3 -0.272 3.688 3.960 0.001 0.000 0.263 445 G C 0.416 175.328 174.900 0.019 0.000 0.989 445 G CA 0.617 45.731 45.100 0.023 0.000 0.692 445 G HN 0.776 nan 8.290 nan 0.000 0.526 446 S N -1.690 114.028 115.700 0.030 0.000 2.786 446 S HA 0.803 5.274 4.470 0.001 0.000 0.307 446 S C 0.850 175.383 174.600 -0.113 0.000 1.121 446 S CA -0.424 57.796 58.200 0.033 0.000 0.975 446 S CB 1.599 64.860 63.200 0.102 0.000 1.220 446 S HN 0.160 nan 8.310 nan 0.000 0.550 447 M N 0.396 119.973 119.600 -0.038 0.000 2.484 447 M HA 0.277 4.757 4.480 0.001 0.000 0.307 447 M C 0.270 176.673 176.300 0.171 0.000 1.149 447 M CA -0.000 55.166 55.300 -0.224 0.000 0.972 447 M CB 0.319 32.950 32.600 0.051 0.000 1.400 447 M HN 0.720 nan 8.290 nan 0.000 0.508 448 Q N 1.971 121.818 119.800 0.079 0.000 2.303 448 Q HA 0.323 4.664 4.340 0.001 0.000 0.257 448 Q C -0.740 175.367 176.000 0.178 0.000 0.941 448 Q CA -0.397 55.240 55.803 -0.277 0.000 0.931 448 Q CB 1.385 29.679 28.738 -0.741 0.000 1.215 448 Q HN 0.097 nan 8.270 nan 0.000 0.437 449 V N 5.461 125.471 119.914 0.159 0.000 2.540 449 V HA -0.082 4.039 4.120 0.001 0.000 0.297 449 V C 1.070 177.150 176.094 -0.024 0.000 1.024 449 V CA 0.785 63.103 62.300 0.030 0.000 1.105 449 V CB 0.827 32.724 31.823 0.124 0.000 0.938 449 V HN 0.888 nan 8.190 nan 0.000 0.482 450 K N 3.461 123.822 120.400 -0.066 0.000 2.306 450 K HA 0.249 4.570 4.320 0.001 0.000 0.200 450 K C 0.422 177.003 176.600 -0.031 0.000 1.083 450 K CA 0.332 56.599 56.287 -0.033 0.000 0.959 450 K CB 0.599 33.084 32.500 -0.024 0.000 0.994 450 K HN 0.805 nan 8.250 nan 0.000 0.492 451 E N 0.551 120.714 120.200 -0.061 0.000 2.314 451 E HA 0.353 4.703 4.350 0.001 0.000 0.272 451 E C -1.961 174.629 176.600 -0.017 0.000 0.884 451 E CA -0.803 55.582 56.400 -0.025 0.000 0.753 451 E CB 2.439 32.127 29.700 -0.019 0.000 1.213 451 E HN -0.019 nan 8.360 nan 0.000 0.432 452 L N 1.813 123.063 121.223 0.045 0.000 2.505 452 L HA 0.728 5.069 4.340 0.001 0.000 0.266 452 L C -1.939 174.990 176.870 0.098 0.000 0.954 452 L CA -0.306 54.602 54.840 0.113 0.000 0.852 452 L CB 1.856 44.026 42.059 0.186 0.000 1.282 452 L HN 0.628 nan 8.230 nan 0.000 0.403 453 A N 6.113 128.987 122.820 0.090 0.000 2.385 453 A HA 0.798 5.118 4.320 0.001 0.000 0.290 453 A C -1.661 175.906 177.584 -0.028 0.000 1.094 453 A CA -0.365 51.700 52.037 0.046 0.000 0.729 453 A CB 0.945 19.977 19.000 0.053 0.000 1.194 453 A HN 0.627 nan 8.150 nan 0.000 0.442 454 L N 2.448 123.666 121.223 -0.009 0.000 2.353 454 L HA 0.409 4.750 4.340 0.001 0.000 0.270 454 L C -0.957 175.865 176.870 -0.080 0.000 1.003 454 L CA -0.429 54.352 54.840 -0.097 0.000 0.862 454 L CB 1.271 43.377 42.059 0.078 0.000 1.221 454 L HN 0.669 nan 8.230 nan 0.000 0.430 455 C N 2.409 121.572 119.300 -0.229 0.000 2.351 455 C HA 0.686 5.147 4.460 0.001 0.000 0.326 455 C C -0.286 174.569 174.990 -0.224 0.000 1.272 455 C CA -0.842 58.123 59.018 -0.088 0.000 1.650 455 C CB 0.422 28.155 27.740 -0.012 0.000 2.257 455 C HN 0.505 nan 8.230 nan 0.000 0.505 456 Y N 0.583 120.886 120.300 0.005 0.000 2.524 456 Y HA 0.708 5.258 4.550 0.001 0.000 0.344 456 Y C 0.667 176.558 175.900 -0.015 0.000 1.012 456 Y CA -0.321 57.785 58.100 0.010 0.000 1.068 456 Y CB 1.676 40.150 38.460 0.023 0.000 1.249 456 Y HN 0.828 nan 8.280 nan 0.000 0.468 457 G N -0.820 108.078 108.800 0.163 0.000 2.453 457 G HA2 0.476 4.437 3.960 0.001 0.000 0.323 457 G HA3 0.476 4.437 3.960 0.001 0.000 0.323 457 G C 0.409 175.349 174.900 0.067 0.000 1.198 457 G CA -0.560 44.575 45.100 0.059 0.000 0.959 457 G HN 1.271 nan 8.290 nan 0.000 0.482 458 G N 0.328 109.140 108.800 0.020 0.000 2.159 458 G HA2 -0.225 3.735 3.960 0.001 0.000 0.256 458 G HA3 -0.225 3.735 3.960 0.001 0.000 0.256 458 G C 0.861 175.744 174.900 -0.029 0.000 0.977 458 G CA 0.788 45.886 45.100 -0.005 0.000 0.652 458 G HN 0.555 nan 8.290 nan 0.000 0.531 459 M N -0.387 119.200 119.600 -0.022 0.000 2.347 459 M HA 0.654 5.135 4.480 0.001 0.000 0.302 459 M C 0.758 177.031 176.300 -0.045 0.000 1.051 459 M CA 0.710 55.972 55.300 -0.063 0.000 0.988 459 M CB 0.199 32.730 32.600 -0.116 0.000 1.475 459 M HN 1.184 nan 8.290 nan 0.000 0.530 460 A N 0.570 123.380 122.820 -0.017 0.000 2.467 460 A HA 0.487 4.807 4.320 0.001 0.000 0.301 460 A C -0.913 176.684 177.584 0.021 0.000 1.126 460 A CA -0.424 51.611 52.037 -0.004 0.000 0.632 460 A CB 0.131 19.137 19.000 0.011 0.000 1.331 460 A HN 0.248 nan 8.150 nan 0.000 0.482 461 D N -0.116 120.308 120.400 0.040 0.000 2.344 461 D HA 0.294 4.935 4.640 0.001 0.000 0.242 461 D C 0.375 176.794 176.300 0.200 0.000 1.159 461 D CA 0.321 54.389 54.000 0.114 0.000 0.859 461 D CB -0.496 40.331 40.800 0.045 0.000 0.925 461 D HN 0.765 nan 8.370 nan 0.000 0.510 462 R N -3.717 116.837 120.500 0.091 0.000 2.829 462 R HA 0.374 4.715 4.340 0.001 0.000 0.283 462 R C -1.329 174.942 176.300 -0.047 0.000 1.013 462 R CA -0.947 55.167 56.100 0.024 0.000 0.848 462 R CB -0.346 30.005 30.300 0.085 0.000 1.291 462 R HN -0.200 nan 8.270 nan 0.000 0.496 463 T N 2.367 116.793 114.554 -0.212 0.000 2.888 463 T HA 0.407 4.757 4.350 0.001 0.000 0.301 463 T C 0.444 175.141 174.700 -0.006 0.000 1.001 463 T CA -0.066 61.928 62.100 -0.178 0.000 1.147 463 T CB -0.109 68.504 68.868 -0.426 0.000 0.931 463 T HN 0.424 nan 8.240 nan 0.000 0.541 464 I N -0.728 119.887 120.570 0.074 0.000 3.002 464 I HA 0.846 5.016 4.170 0.001 0.000 0.310 464 I C -0.343 175.870 176.117 0.161 0.000 1.087 464 I CA -1.069 60.309 61.300 0.130 0.000 1.017 464 I CB 2.437 40.496 38.000 0.099 0.000 1.226 464 I HN 0.467 nan 8.210 nan 0.000 0.443 465 S N 1.942 117.732 115.700 0.150 0.000 2.482 465 S HA 0.729 5.199 4.470 0.001 0.000 0.303 465 S C 0.022 174.670 174.600 0.080 0.000 1.091 465 S CA -0.458 57.816 58.200 0.124 0.000 1.057 465 S CB 1.600 64.863 63.200 0.105 0.000 1.031 465 S HN 0.924 nan 8.310 nan 0.000 0.485 466 A N 5.934 128.818 122.820 0.107 0.000 3.074 466 A HA 0.335 4.655 4.320 0.001 0.000 0.251 466 A C 1.303 178.891 177.584 0.007 0.000 1.695 466 A CA -0.278 51.792 52.037 0.055 0.000 1.343 466 A CB -0.976 18.079 19.000 0.092 0.000 1.078 466 A HN 0.938 nan 8.150 nan 0.000 0.644 467 L N -0.287 120.917 121.223 -0.032 0.000 1.990 467 L HA -0.275 4.065 4.340 0.001 0.000 0.213 467 L C 2.542 179.385 176.870 -0.045 0.000 1.072 467 L CA 1.900 56.701 54.840 -0.065 0.000 0.755 467 L CB -0.450 41.511 42.059 -0.164 0.000 0.889 467 L HN 0.528 nan 8.230 nan 0.000 0.432 468 K N -0.685 119.688 120.400 -0.044 0.000 2.074 468 K HA -0.178 4.142 4.320 0.001 0.000 0.209 468 K C 2.068 178.650 176.600 -0.031 0.000 1.048 468 K CA 2.026 58.294 56.287 -0.033 0.000 0.926 468 K CB -0.407 32.074 32.500 -0.031 0.000 0.713 468 K HN 0.342 nan 8.250 nan 0.000 0.444 469 T N 0.494 115.025 114.554 -0.037 0.000 2.737 469 T HA -0.129 4.221 4.350 0.001 0.000 0.265 469 T C 2.171 176.846 174.700 -0.041 0.000 1.038 469 T CA 1.941 64.010 62.100 -0.052 0.000 1.144 469 T CB -0.447 68.375 68.868 -0.078 0.000 0.866 469 T HN 0.514 nan 8.240 nan 0.000 0.434 470 T N 0.809 115.351 114.554 -0.020 0.000 2.821 470 T HA -0.101 4.249 4.350 0.001 0.000 0.267 470 T C 1.960 176.673 174.700 0.021 0.000 1.046 470 T CA 0.696 62.804 62.100 0.013 0.000 1.139 470 T CB -0.333 68.560 68.868 0.042 0.000 0.871 470 T HN 0.118 nan 8.240 nan 0.000 0.454 471 Q N 1.435 121.239 119.800 0.006 0.000 2.181 471 Q HA -0.025 4.316 4.340 0.001 0.000 0.205 471 Q C 2.181 178.190 176.000 0.016 0.000 0.980 471 Q CA 1.298 57.107 55.803 0.010 0.000 0.862 471 Q CB -0.284 28.453 28.738 -0.002 0.000 0.905 471 Q HN 0.658 nan 8.270 nan 0.000 0.429 472 K N 0.161 120.566 120.400 0.009 0.000 2.439 472 K HA -0.067 4.254 4.320 0.001 0.000 0.197 472 K C 1.574 178.191 176.600 0.028 0.000 1.041 472 K CA 0.513 56.808 56.287 0.013 0.000 0.970 472 K CB 0.282 32.782 32.500 -0.001 0.000 0.773 472 K HN 0.107 nan 8.250 nan 0.000 0.479 473 Q N 0.285 120.109 119.800 0.039 0.000 2.319 473 Q HA 0.159 4.499 4.340 0.001 0.000 0.209 473 Q C 0.335 176.384 176.000 0.082 0.000 0.884 473 Q CA 0.117 55.962 55.803 0.070 0.000 0.938 473 Q CB 0.355 29.147 28.738 0.089 0.000 1.098 473 Q HN 0.307 nan 8.270 nan 0.000 0.517 474 L N 2.114 123.372 121.223 0.057 0.000 2.540 474 L HA -0.085 4.255 4.340 0.001 0.000 0.276 474 L C 1.124 178.014 176.870 0.033 0.000 1.212 474 L CA 0.850 55.715 54.840 0.042 0.000 0.893 474 L CB 0.009 42.087 42.059 0.030 0.000 1.138 474 L HN 0.383 nan 8.230 nan 0.000 0.491 475 S N 0.509 116.212 115.700 0.004 0.000 2.857 475 S HA -0.193 4.278 4.470 0.001 0.000 0.268 475 S C 0.185 174.749 174.600 -0.060 0.000 1.297 475 S CA 1.207 59.385 58.200 -0.036 0.000 1.280 475 S CB -1.048 62.158 63.200 0.010 0.000 1.562 475 S HN 0.683 nan 8.310 nan 0.000 0.661 476 K N 0.806 121.217 120.400 0.020 0.000 2.098 476 K HA 0.815 5.135 4.320 0.001 0.000 0.244 476 K C -0.078 176.578 176.600 0.093 0.000 1.014 476 K CA -0.524 55.841 56.287 0.130 0.000 0.917 476 K CB 0.156 32.756 32.500 0.167 0.000 1.072 476 K HN 0.247 nan 8.250 nan 0.000 0.477 477 F N 0.154 120.247 119.950 0.237 0.000 2.432 477 F HA 0.262 4.789 4.527 0.001 0.000 0.329 477 F C 0.265 176.304 175.800 0.398 0.000 1.076 477 F CA -0.640 57.549 58.000 0.316 0.000 1.018 477 F CB 0.818 39.946 39.000 0.213 0.000 1.201 477 F HN 0.339 nan 8.300 nan 0.000 0.489 478 W N 5.845 127.413 121.300 0.447 0.000 2.666 478 W HA 0.112 4.772 4.660 0.001 0.000 0.365 478 W C -0.814 175.923 176.519 0.363 0.000 1.224 478 W CA 0.086 57.679 57.345 0.413 0.000 1.515 478 W CB -0.165 29.484 29.460 0.315 0.000 1.562 478 W HN 0.751 nan 8.180 nan 0.000 0.455 479 N N 0.765 119.655 118.700 0.317 0.000 3.039 479 N HA 0.084 4.825 4.740 0.001 0.000 0.257 479 N C 0.377 176.004 175.510 0.194 0.000 1.497 479 N CA -0.604 52.621 53.050 0.292 0.000 0.861 479 N CB 0.450 39.062 38.487 0.210 0.000 1.479 479 N HN 0.019 nan 8.380 nan 0.000 0.547 480 E N 0.045 120.343 120.200 0.163 0.000 2.130 480 E HA -0.183 4.168 4.350 0.001 0.000 0.196 480 E C 1.214 177.786 176.600 -0.047 0.000 0.998 480 E CA 1.555 57.974 56.400 0.031 0.000 0.806 480 E CB -0.004 29.741 29.700 0.074 0.000 0.738 480 E HN 0.479 nan 8.360 nan 0.000 0.459 481 K N 0.221 120.624 120.400 0.004 0.000 2.097 481 K HA -0.108 4.212 4.320 0.001 0.000 0.206 481 K C 2.284 178.866 176.600 -0.030 0.000 1.049 481 K CA 1.088 57.372 56.287 -0.004 0.000 0.933 481 K CB -0.595 31.923 32.500 0.030 0.000 0.717 481 K HN 0.364 nan 8.250 nan 0.000 0.442 482 L N 0.811 122.016 121.223 -0.030 0.000 2.056 482 L HA -0.161 4.179 4.340 0.001 0.000 0.207 482 L C 2.335 179.124 176.870 -0.134 0.000 1.078 482 L CA 0.954 55.757 54.840 -0.061 0.000 0.749 482 L CB -0.317 41.713 42.059 -0.048 0.000 0.901 482 L HN 0.097 nan 8.230 nan 0.000 0.433 483 L N -0.037 121.019 121.223 -0.277 0.000 2.012 483 L HA -0.276 4.065 4.340 0.001 0.000 0.210 483 L C 2.470 179.293 176.870 -0.079 0.000 1.073 483 L CA 1.939 56.614 54.840 -0.275 0.000 0.748 483 L CB -0.679 40.913 42.059 -0.778 0.000 0.891 483 L HN 0.397 nan 8.230 nan 0.000 0.431 484 Q N -0.770 118.967 119.800 -0.104 0.000 2.079 484 Q HA -0.194 4.146 4.340 0.001 0.000 0.200 484 Q C 1.874 177.834 176.000 -0.067 0.000 0.974 484 Q CA 1.649 57.409 55.803 -0.073 0.000 0.840 484 Q CB -0.283 28.414 28.738 -0.069 0.000 0.898 484 Q HN 0.557 nan 8.270 nan 0.000 0.430 485 D N 0.179 120.537 120.400 -0.070 0.000 2.144 485 D HA -0.110 4.531 4.640 0.001 0.000 0.199 485 D C 2.007 178.241 176.300 -0.110 0.000 0.984 485 D CA 0.860 54.818 54.000 -0.070 0.000 0.834 485 D CB -0.076 40.695 40.800 -0.049 0.000 0.955 485 D HN 0.039 nan 8.370 nan 0.000 0.465 486 V N 0.521 120.330 119.914 -0.175 0.000 2.358 486 V HA -0.237 3.884 4.120 0.001 0.000 0.246 486 V C 2.676 178.613 176.094 -0.261 0.000 1.047 486 V CA 1.148 63.248 62.300 -0.334 0.000 1.035 486 V CB -0.426 30.913 31.823 -0.805 0.000 0.658 486 V HN 0.282 nan 8.190 nan 0.000 0.452 487 C N 0.264 119.486 119.300 -0.130 0.000 2.429 487 C HA -0.094 4.366 4.460 0.001 0.000 0.277 487 C C 3.097 178.060 174.990 -0.045 0.000 1.262 487 C CA 0.876 59.882 59.018 -0.020 0.000 1.733 487 C CB -1.296 26.503 27.740 0.100 0.000 2.010 487 C HN 0.629 nan 8.230 nan 0.000 0.483 488 A N 0.639 123.425 122.820 -0.057 0.000 1.930 488 A HA 0.088 4.408 4.320 0.001 0.000 0.217 488 A C 2.379 179.924 177.584 -0.064 0.000 1.175 488 A CA 2.016 54.020 52.037 -0.054 0.000 0.627 488 A CB -1.159 17.811 19.000 -0.051 0.000 0.815 488 A HN 0.554 nan 8.150 nan 0.000 0.443 489 G N 0.000 108.751 108.800 -0.082 0.000 2.421 489 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 489 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 489 G C 1.549 176.395 174.900 -0.090 0.000 1.171 489 G CA 1.047 46.097 45.100 -0.083 0.000 0.775 489 G HN 0.431 nan 8.290 nan 0.000 0.543 490 L N 0.748 121.905 121.223 -0.110 0.000 2.046 490 L HA -0.072 4.268 4.340 0.001 0.000 0.208 490 L C 3.405 180.207 176.870 -0.113 0.000 1.077 490 L CA 1.014 55.781 54.840 -0.122 0.000 0.747 490 L CB -0.452 41.530 42.059 -0.128 0.000 0.896 490 L HN 0.306 nan 8.230 nan 0.000 0.432 491 A N -0.371 122.399 122.820 -0.084 0.000 1.972 491 A HA -0.253 4.068 4.320 0.001 0.000 0.219 491 A C 2.300 179.844 177.584 -0.067 0.000 1.169 491 A CA 1.996 53.990 52.037 -0.071 0.000 0.635 491 A CB -0.395 18.576 19.000 -0.048 0.000 0.810 491 A HN 0.532 nan 8.150 nan 0.000 0.446 492 E N -0.739 119.424 120.200 -0.063 0.000 2.102 492 E HA -0.122 4.228 4.350 0.001 0.000 0.190 492 E C 2.002 178.568 176.600 -0.056 0.000 0.971 492 E CA 0.833 57.202 56.400 -0.052 0.000 0.821 492 E CB -0.132 29.541 29.700 -0.044 0.000 0.777 492 E HN 0.722 nan 8.360 nan 0.000 0.460 493 E N 0.310 120.470 120.200 -0.066 0.000 2.072 493 E HA -0.059 4.292 4.350 0.001 0.000 0.190 493 E C 0.774 177.327 176.600 -0.078 0.000 0.982 493 E CA 0.472 56.834 56.400 -0.063 0.000 0.803 493 E CB 0.169 29.832 29.700 -0.061 0.000 0.755 493 E HN 0.234 nan 8.360 nan 0.000 0.453 494 L N 2.912 124.066 121.223 -0.114 0.000 2.796 494 L HA 0.208 4.548 4.340 0.001 0.000 0.235 494 L C 0.176 176.973 176.870 -0.122 0.000 1.344 494 L CA -0.679 54.074 54.840 -0.144 0.000 1.245 494 L CB 0.001 41.907 42.059 -0.255 0.000 1.556 494 L HN 0.081 nan 8.230 nan 0.000 0.423 495 S N 0.827 116.476 115.700 -0.085 0.000 2.603 495 S HA 0.664 5.134 4.470 0.001 0.000 0.268 495 S C -0.330 174.230 174.600 -0.066 0.000 1.317 495 S CA -0.557 57.602 58.200 -0.069 0.000 1.012 495 S CB 1.770 64.940 63.200 -0.050 0.000 0.926 495 S HN 0.341 nan 8.310 nan 0.000 0.539 496 L N 1.546 122.734 121.223 -0.057 0.000 2.438 496 L HA 0.388 4.728 4.340 0.001 0.000 0.270 496 L C -0.236 176.610 176.870 -0.039 0.000 0.972 496 L CA -0.653 54.156 54.840 -0.052 0.000 0.831 496 L CB 2.400 44.422 42.059 -0.061 0.000 1.273 496 L HN 0.709 nan 8.230 nan 0.000 0.405 497 S N 2.906 118.585 115.700 -0.035 0.000 2.585 497 S HA 0.147 4.617 4.470 0.001 0.000 0.273 497 S C -1.672 172.914 174.600 -0.024 0.000 1.339 497 S CA -0.878 57.306 58.200 -0.026 0.000 1.028 497 S CB 1.088 64.273 63.200 -0.025 0.000 0.906 497 S HN 0.471 nan 8.310 nan 0.000 0.528 498 P HA -0.121 nan 4.420 nan 0.000 0.220 498 P C 0.617 177.911 177.300 -0.011 0.000 1.144 498 P CA 0.988 64.082 63.100 -0.011 0.000 0.800 498 P CB -0.010 31.687 31.700 -0.005 0.000 0.772 499 D N -1.518 118.874 120.400 -0.014 0.000 2.358 499 D HA 0.127 4.767 4.640 0.001 0.000 0.224 499 D C 0.251 176.534 176.300 -0.028 0.000 1.123 499 D CA -0.394 53.598 54.000 -0.014 0.000 0.833 499 D CB -0.453 40.342 40.800 -0.009 0.000 0.946 499 D HN -0.029 nan 8.370 nan 0.000 0.505 500 A N 1.735 124.534 122.820 -0.035 0.000 2.546 500 A HA 0.308 4.629 4.320 0.001 0.000 0.243 500 A C -2.163 175.383 177.584 -0.063 0.000 1.063 500 A CA -0.778 51.230 52.037 -0.049 0.000 0.757 500 A CB -0.276 18.694 19.000 -0.050 0.000 0.991 500 A HN 0.057 nan 8.150 nan 0.000 0.503 501 P HA 0.282 nan 4.420 nan 0.000 0.264 501 P C 1.121 178.351 177.300 -0.117 0.000 1.193 501 P CA 1.738 64.777 63.100 -0.102 0.000 0.763 501 P CB 0.711 32.350 31.700 -0.101 0.000 0.810 502 G N 1.965 110.664 108.800 -0.167 0.000 2.234 502 G HA2 -0.046 3.914 3.960 0.001 0.000 0.235 502 G HA3 -0.046 3.914 3.960 0.001 0.000 0.235 502 G C 0.721 175.524 174.900 -0.161 0.000 0.997 502 G CA 0.165 45.160 45.100 -0.175 0.000 0.623 502 G HN 0.989 nan 8.290 nan 0.000 0.514 503 G N 0.295 109.027 108.800 -0.112 0.000 2.574 503 G HA2 -0.047 3.914 3.960 0.001 0.000 0.282 503 G HA3 -0.047 3.914 3.960 0.001 0.000 0.282 503 G C 0.829 175.706 174.900 -0.039 0.000 1.257 503 G CA 1.064 46.121 45.100 -0.071 0.000 0.956 503 G HN 1.830 nan 8.290 nan 0.000 0.560 504 M N -1.512 118.087 119.600 -0.002 0.000 2.253 504 M HA -0.224 4.256 4.480 0.001 0.000 0.199 504 M C 1.408 177.744 176.300 0.060 0.000 0.342 504 M CA 0.793 56.136 55.300 0.071 0.000 0.417 504 M CB -1.661 31.027 32.600 0.146 0.000 1.338 504 M HN 0.508 nan 8.290 nan 0.000 0.920 505 I N 0.464 121.046 120.570 0.019 0.000 2.127 505 I HA -0.249 3.921 4.170 0.001 0.000 0.241 505 I C 2.199 178.318 176.117 0.003 0.000 1.075 505 I CA 2.313 63.609 61.300 -0.007 0.000 1.334 505 I CB -0.292 37.701 38.000 -0.012 0.000 1.040 505 I HN 0.360 nan 8.210 nan 0.000 0.405 506 E N -0.128 120.094 120.200 0.037 0.000 2.051 506 E HA -0.238 4.112 4.350 0.001 0.000 0.192 506 E C 2.059 178.712 176.600 0.089 0.000 0.991 506 E CA 1.274 57.702 56.400 0.047 0.000 0.799 506 E CB -0.632 29.102 29.700 0.057 0.000 0.748 506 E HN 0.415 nan 8.360 nan 0.000 0.449 507 F N 1.610 121.526 119.950 -0.055 0.000 2.102 507 F HA -0.126 4.401 4.527 0.001 0.000 0.298 507 F C 1.979 177.712 175.800 -0.111 0.000 1.105 507 F CA 1.555 59.511 58.000 -0.073 0.000 1.239 507 F CB -0.162 38.804 39.000 -0.056 0.000 0.991 507 F HN -0.146 nan 8.300 nan 0.000 0.474 508 R N -0.100 120.258 120.500 -0.237 0.000 2.075 508 R HA -0.103 4.238 4.340 0.001 0.000 0.232 508 R C 2.395 178.508 176.300 -0.312 0.000 1.126 508 R CA 1.494 57.368 56.100 -0.377 0.000 0.963 508 R CB -0.291 29.873 30.300 -0.227 0.000 0.858 508 R HN 0.302 nan 8.270 nan 0.000 0.435 509 R N -0.519 119.865 120.500 -0.194 0.000 2.092 509 R HA -0.051 4.290 4.340 0.001 0.000 0.231 509 R C 2.181 178.375 176.300 -0.177 0.000 1.119 509 R CA 1.608 57.603 56.100 -0.176 0.000 0.970 509 R CB -0.324 29.912 30.300 -0.107 0.000 0.864 509 R HN 0.160 nan 8.270 nan 0.000 0.440 510 T N 1.645 116.113 114.554 -0.144 0.000 2.788 510 T HA -0.055 4.295 4.350 0.001 0.000 0.268 510 T C 1.843 176.389 174.700 -0.258 0.000 1.044 510 T CA 0.927 62.959 62.100 -0.115 0.000 1.139 510 T CB -0.063 68.801 68.868 -0.006 0.000 0.867 510 T HN 0.132 nan 8.240 nan 0.000 0.454 511 L N 1.249 122.205 121.223 -0.446 0.000 2.093 511 L HA -0.100 4.241 4.340 0.001 0.000 0.208 511 L C 3.102 179.582 176.870 -0.650 0.000 1.085 511 L CA 1.575 55.963 54.840 -0.753 0.000 0.755 511 L CB -1.122 40.312 42.059 -1.042 0.000 0.904 511 L HN 0.455 nan 8.230 nan 0.000 0.435 512 T N -1.773 112.552 114.554 -0.380 0.000 2.746 512 T HA -0.180 4.170 4.350 0.001 0.000 0.267 512 T C 1.830 176.547 174.700 0.027 0.000 1.039 512 T CA 1.055 63.048 62.100 -0.178 0.000 1.142 512 T CB -0.442 68.139 68.868 -0.479 0.000 0.866 512 T HN 0.205 nan 8.240 nan 0.000 0.444 513 L N 0.744 121.926 121.223 -0.068 0.000 2.072 513 L HA 0.009 4.349 4.340 0.001 0.000 0.205 513 L C 3.192 179.999 176.870 -0.104 0.000 1.079 513 L CA 1.297 56.147 54.840 0.018 0.000 0.752 513 L CB -0.945 41.141 42.059 0.046 0.000 0.906 513 L HN 0.328 nan 8.230 nan 0.000 0.436 514 S N -0.035 115.477 115.700 -0.315 0.000 2.370 514 S HA -0.136 4.334 4.470 0.001 0.000 0.226 514 S C 1.897 176.440 174.600 -0.095 0.000 1.033 514 S CA 1.359 59.298 58.200 -0.436 0.000 1.011 514 S CB -0.362 62.598 63.200 -0.401 0.000 0.852 514 S HN 0.288 nan 8.310 nan 0.000 0.457 515 F N 0.049 119.949 119.950 -0.083 0.000 2.134 515 F HA -0.132 4.395 4.527 0.001 0.000 0.299 515 F C 2.188 178.096 175.800 0.180 0.000 1.097 515 F CA 0.788 58.778 58.000 -0.016 0.000 1.264 515 F CB -0.266 38.854 39.000 0.200 0.000 1.001 515 F HN 0.214 nan 8.300 nan 0.000 0.479 516 F N 0.347 120.514 119.950 0.361 0.000 2.186 516 F HA -0.252 4.275 4.527 0.001 0.000 0.299 516 F C 2.113 178.149 175.800 0.394 0.000 1.090 516 F CA 1.039 59.279 58.000 0.400 0.000 1.307 516 F CB -0.794 38.399 39.000 0.321 0.000 1.019 516 F HN -0.061 nan 8.300 nan 0.000 0.489 517 F N 1.573 121.458 119.950 -0.108 0.000 2.095 517 F HA -0.172 4.356 4.527 0.001 0.000 0.298 517 F C 2.211 177.907 175.800 -0.173 0.000 1.104 517 F CA 1.976 59.829 58.000 -0.246 0.000 1.232 517 F CB -0.846 37.781 39.000 -0.622 0.000 0.987 517 F HN -0.104 nan 8.300 nan 0.000 0.475 518 K N -0.887 119.367 120.400 -0.243 0.000 2.063 518 K HA -0.214 4.106 4.320 0.001 0.000 0.208 518 K C 2.075 178.683 176.600 0.014 0.000 1.048 518 K CA 1.838 57.946 56.287 -0.299 0.000 0.928 518 K CB -0.694 31.514 32.500 -0.487 0.000 0.713 518 K HN 0.307 nan 8.250 nan 0.000 0.442 519 F N 0.548 120.526 119.950 0.046 0.000 2.134 519 F HA -0.229 4.299 4.527 0.001 0.000 0.299 519 F C 2.150 177.968 175.800 0.030 0.000 1.097 519 F CA 1.124 59.182 58.000 0.097 0.000 1.264 519 F CB -0.647 38.417 39.000 0.106 0.000 1.001 519 F HN 0.063 nan 8.300 nan 0.000 0.479 520 Y N 0.724 120.824 120.300 -0.333 0.000 2.097 520 Y HA -0.244 4.307 4.550 0.001 0.000 0.282 520 Y C 2.112 177.998 175.900 -0.023 0.000 1.152 520 Y CA 2.236 60.212 58.100 -0.207 0.000 1.136 520 Y CB -0.715 37.477 38.460 -0.446 0.000 0.975 520 Y HN 0.118 nan 8.280 nan 0.000 0.498 521 L N -1.013 120.061 121.223 -0.248 0.000 2.056 521 L HA -0.217 4.123 4.340 0.001 0.000 0.207 521 L C 2.332 179.054 176.870 -0.247 0.000 1.078 521 L CA 1.764 56.427 54.840 -0.295 0.000 0.749 521 L CB -0.960 40.891 42.059 -0.347 0.000 0.901 521 L HN 0.201 nan 8.230 nan 0.000 0.433 522 T N -0.524 113.914 114.554 -0.194 0.000 2.746 522 T HA -0.145 4.206 4.350 0.001 0.000 0.267 522 T C 2.002 176.517 174.700 -0.308 0.000 1.039 522 T CA 1.262 63.268 62.100 -0.156 0.000 1.142 522 T CB -0.176 68.693 68.868 0.001 0.000 0.866 522 T HN 0.063 nan 8.240 nan 0.000 0.444 523 V N 1.394 121.038 119.914 -0.450 0.000 2.427 523 V HA -0.079 4.041 4.120 0.001 0.000 0.248 523 V C 2.471 178.179 176.094 -0.644 0.000 1.051 523 V CA 1.266 63.144 62.300 -0.702 0.000 1.048 523 V CB -0.656 30.569 31.823 -0.997 0.000 0.666 523 V HN 0.438 nan 8.190 nan 0.000 0.456 524 L N -0.119 120.845 121.223 -0.432 0.000 2.042 524 L HA -0.243 4.097 4.340 0.001 0.000 0.210 524 L C 2.618 179.305 176.870 -0.306 0.000 1.076 524 L CA 2.051 56.694 54.840 -0.328 0.000 0.749 524 L CB -0.586 41.313 42.059 -0.267 0.000 0.893 524 L HN 0.330 nan 8.230 nan 0.000 0.432 525 K N 0.594 120.829 120.400 -0.275 0.000 2.026 525 K HA -0.213 4.107 4.320 0.001 0.000 0.208 525 K C 2.126 178.569 176.600 -0.262 0.000 1.048 525 K CA 1.519 57.680 56.287 -0.210 0.000 0.929 525 K CB 0.061 32.470 32.500 -0.152 0.000 0.713 525 K HN 0.196 nan 8.250 nan 0.000 0.439 526 K N 0.446 120.604 120.400 -0.402 0.000 2.148 526 K HA -0.087 4.233 4.320 0.001 0.000 0.204 526 K C 2.105 178.382 176.600 -0.537 0.000 1.050 526 K CA 1.081 57.070 56.287 -0.498 0.000 0.942 526 K CB -0.046 31.957 32.500 -0.829 0.000 0.724 526 K HN 0.167 nan 8.250 nan 0.000 0.446 527 L N 0.106 120.955 121.223 -0.624 0.000 2.217 527 L HA -0.058 4.283 4.340 0.001 0.000 0.211 527 L C 2.125 178.854 176.870 -0.236 0.000 1.107 527 L CA 0.755 55.335 54.840 -0.434 0.000 0.783 527 L CB -0.431 41.332 42.059 -0.494 0.000 0.919 527 L HN 0.286 nan 8.230 nan 0.000 0.442 528 G N -0.693 107.978 108.800 -0.215 0.000 2.843 528 G HA2 -0.118 3.843 3.960 0.001 0.000 0.205 528 G HA3 -0.118 3.843 3.960 0.001 0.000 0.205 528 G C 0.849 175.694 174.900 -0.093 0.000 1.160 528 G CA 0.059 45.079 45.100 -0.132 0.000 0.819 528 G HN 0.217 nan 8.290 nan 0.000 0.516 529 K N -0.392 119.955 120.400 -0.089 0.000 6.935 529 K HA -0.294 4.027 4.320 0.001 0.000 0.336 529 K C 1.131 177.709 176.600 -0.037 0.000 0.625 529 K CA 1.850 58.110 56.287 -0.044 0.000 1.145 529 K CB -1.444 31.037 32.500 -0.032 0.000 0.792 529 K HN 0.371 nan 8.250 nan 0.000 0.936 530 D N -0.762 119.620 120.400 -0.031 0.000 3.031 530 D HA -0.224 4.417 4.640 0.001 0.000 0.180 530 D C 0.467 176.760 176.300 -0.011 0.000 1.571 530 D CA 2.547 56.533 54.000 -0.022 0.000 2.057 530 D CB -1.219 39.565 40.800 -0.028 0.000 1.356 530 D HN 0.691 nan 8.370 nan 0.000 0.442 538 L N 2.763 123.962 121.223 -0.039 0.000 2.313 538 L HA 0.246 4.587 4.340 0.001 0.000 0.282 538 L C -0.327 176.528 176.870 -0.026 0.000 1.092 538 L CA 0.237 55.057 54.840 -0.033 0.000 0.831 538 L CB 0.777 42.824 42.059 -0.020 0.000 1.159 538 L HN 0.477 nan 8.230 nan 0.000 0.442 539 D N 6.808 127.163 120.400 -0.076 0.000 2.531 539 D HA -0.044 4.597 4.640 0.001 0.000 0.239 539 D C -1.688 174.638 176.300 0.043 0.000 1.144 539 D CA -0.830 53.126 54.000 -0.074 0.000 0.869 539 D CB 1.603 42.250 40.800 -0.255 0.000 1.160 539 D HN 0.440 nan 8.370 nan 0.000 0.484 540 P HA -0.153 nan 4.420 nan 0.000 0.217 540 P C 1.146 178.499 177.300 0.087 0.000 1.148 540 P CA 1.650 64.779 63.100 0.048 0.000 0.828 540 P CB 0.026 31.736 31.700 0.016 0.000 0.783 541 T N -6.071 108.565 114.554 0.137 0.000 3.148 541 T HA -0.041 4.309 4.350 0.001 0.000 0.253 541 T C 1.112 176.023 174.700 0.353 0.000 1.134 541 T CA 0.658 62.855 62.100 0.162 0.000 1.051 541 T CB -0.754 68.192 68.868 0.130 0.000 0.959 541 T HN 0.027 nan 8.240 nan 0.000 0.525 542 Y N 1.028 121.415 120.300 0.146 0.000 2.462 542 Y HA 0.298 4.848 4.550 0.001 0.000 0.253 542 Y C 2.621 178.612 175.900 0.152 0.000 1.095 542 Y CA -0.652 57.617 58.100 0.282 0.000 1.283 542 Y CB -0.281 38.349 38.460 0.284 0.000 1.138 542 Y HN 0.193 nan 8.280 nan 0.000 0.522 543 T N -0.112 114.577 114.554 0.225 0.000 2.665 543 T HA -0.254 4.096 4.350 0.001 0.000 0.268 543 T C 2.125 176.875 174.700 0.084 0.000 1.035 543 T CA 2.176 64.343 62.100 0.111 0.000 1.151 543 T CB -0.573 68.337 68.868 0.069 0.000 0.862 543 T HN 0.502 nan 8.240 nan 0.000 0.438 544 S N 1.802 117.557 115.700 0.091 0.000 2.465 544 S HA 0.031 4.502 4.470 0.001 0.000 0.241 544 S C 2.227 176.879 174.600 0.087 0.000 1.000 544 S CA 0.821 59.072 58.200 0.086 0.000 0.964 544 S CB -0.513 62.737 63.200 0.083 0.000 0.763 544 S HN 0.544 nan 8.310 nan 0.000 0.512 545 A N 1.787 124.655 122.820 0.079 0.000 2.119 545 A HA 0.050 4.370 4.320 0.001 0.000 0.217 545 A C 2.354 179.888 177.584 -0.083 0.000 1.153 545 A CA 1.507 53.530 52.037 -0.024 0.000 0.692 545 A CB -1.066 17.823 19.000 -0.185 0.000 0.799 545 A HN 0.768 nan 8.150 nan 0.000 0.458 546 T N -2.509 112.028 114.554 -0.028 0.000 3.060 546 T HA 0.402 4.753 4.350 0.001 0.000 0.249 546 T C 0.438 175.177 174.700 0.064 0.000 1.079 546 T CA -0.266 61.834 62.100 -0.001 0.000 1.013 546 T CB -0.458 68.401 68.868 -0.015 0.000 0.975 546 T HN 0.201 nan 8.240 nan 0.000 0.518 547 L N 2.000 123.264 121.223 0.068 0.000 2.349 547 L HA 0.457 4.797 4.340 0.001 0.000 0.275 547 L C 0.291 177.245 176.870 0.139 0.000 1.115 547 L CA -0.866 54.031 54.840 0.095 0.000 0.820 547 L CB 0.898 43.004 42.059 0.078 0.000 1.135 547 L HN 0.139 nan 8.230 nan 0.000 0.445 548 L N 2.006 123.334 121.223 0.175 0.000 2.421 548 L HA 0.285 4.625 4.340 0.001 0.000 0.263 548 L C 0.087 177.118 176.870 0.268 0.000 1.122 548 L CA -0.548 54.448 54.840 0.260 0.000 0.804 548 L CB 0.707 42.928 42.059 0.270 0.000 1.150 548 L HN 0.377 nan 8.230 nan 0.000 0.457 549 F N 2.249 122.348 119.950 0.248 0.000 2.623 549 F HA -0.070 4.457 4.527 0.001 0.000 0.386 549 F C 0.354 176.299 175.800 0.240 0.000 1.068 549 F CA 0.641 58.794 58.000 0.255 0.000 1.265 549 F CB 0.201 39.430 39.000 0.381 0.000 1.026 549 F HN 0.376 nan 8.300 nan 0.000 0.568 550 Q N 6.126 125.631 119.800 -0.492 0.000 2.310 550 Q HA 0.258 4.598 4.340 0.001 0.000 0.270 550 Q C -0.831 174.958 176.000 -0.352 0.000 1.025 550 Q CA -0.869 54.801 55.803 -0.221 0.000 0.772 550 Q CB 2.091 30.775 28.738 -0.090 0.000 1.253 550 Q HN 0.665 nan 8.270 nan 0.000 0.450 551 K N 1.719 122.118 120.400 -0.001 0.000 2.295 551 K HA 0.159 4.480 4.320 0.001 0.000 0.270 551 K C -0.266 176.404 176.600 0.117 0.000 1.011 551 K CA -0.209 56.157 56.287 0.131 0.000 0.953 551 K CB 0.487 33.124 32.500 0.228 0.000 0.956 551 K HN 0.410 nan 8.250 nan 0.000 0.477 552 H N 2.333 121.420 119.070 0.029 0.000 2.529 552 H HA 0.278 4.835 4.556 0.001 0.000 0.348 552 H C -2.328 173.038 175.328 0.063 0.000 1.152 552 H CA -2.046 54.017 56.048 0.025 0.000 1.202 552 H CB 1.098 30.861 29.762 0.003 0.000 1.562 552 H HN 0.392 nan 8.280 nan 0.000 0.515 553 P HA 0.089 nan 4.420 nan 0.000 0.268 553 P C -2.701 174.594 177.300 -0.008 0.000 1.204 553 P CA -1.064 61.963 63.100 -0.121 0.000 0.768 553 P CB 0.383 31.969 31.700 -0.190 0.000 0.842 554 P HA 0.354 nan 4.420 nan 0.000 0.277 554 P C -1.173 176.195 177.300 0.113 0.000 1.240 554 P CA -0.463 62.714 63.100 0.129 0.000 0.798 554 P CB 1.061 32.861 31.700 0.165 0.000 0.979 555 A N 2.332 125.232 122.820 0.134 0.000 2.497 555 A HA 0.498 4.818 4.320 0.001 0.000 0.280 555 A C -0.965 176.700 177.584 0.136 0.000 1.065 555 A CA -0.671 51.434 52.037 0.114 0.000 0.781 555 A CB 0.627 19.683 19.000 0.093 0.000 1.289 555 A HN 0.531 nan 8.150 nan 0.000 0.415 556 N N 2.169 120.943 118.700 0.124 0.000 2.269 556 N HA 0.693 5.433 4.740 0.001 0.000 0.304 556 N C -1.218 174.330 175.510 0.063 0.000 1.072 556 N CA -0.424 52.697 53.050 0.118 0.000 0.802 556 N CB 2.187 40.754 38.487 0.133 0.000 1.348 556 N HN 0.436 nan 8.380 nan 0.000 0.484 557 I N 1.583 122.175 120.570 0.037 0.000 2.607 557 I HA 0.243 4.414 4.170 0.001 0.000 0.290 557 I C -0.870 175.246 176.117 -0.002 0.000 1.129 557 I CA -0.565 60.744 61.300 0.015 0.000 1.042 557 I CB 2.008 40.017 38.000 0.014 0.000 1.242 557 I HN 0.351 nan 8.210 nan 0.000 0.421 558 Q N 5.714 125.526 119.800 0.021 0.000 2.310 558 Q HA 0.704 5.044 4.340 0.001 0.000 0.270 558 Q C -1.162 174.915 176.000 0.128 0.000 1.025 558 Q CA -0.238 55.599 55.803 0.056 0.000 0.772 558 Q CB 3.007 31.787 28.738 0.070 0.000 1.253 558 Q HN 0.468 nan 8.270 nan 0.000 0.450 559 L N 4.490 125.781 121.223 0.115 0.000 2.341 559 L HA 0.758 5.099 4.340 0.001 0.000 0.278 559 L C -0.772 176.213 176.870 0.192 0.000 1.005 559 L CA -0.902 53.982 54.840 0.073 0.000 0.818 559 L CB 0.561 42.621 42.059 0.001 0.000 1.259 559 L HN 0.676 nan 8.230 nan 0.000 0.418 560 F N 0.001 119.929 119.950 -0.037 0.000 2.745 560 F HA 0.527 5.055 4.527 0.001 0.000 0.316 560 F C -0.803 174.981 175.800 -0.027 0.000 1.155 560 F CA -1.109 56.872 58.000 -0.032 0.000 0.937 560 F CB 1.619 40.597 39.000 -0.037 0.000 1.361 560 F HN 0.343 nan 8.300 nan 0.000 0.472 561 Q N 1.448 121.317 119.800 0.116 0.000 2.243 561 Q HA 0.291 4.631 4.340 0.001 0.000 0.252 561 Q C -0.732 175.282 176.000 0.022 0.000 0.909 561 Q CA -0.668 55.134 55.803 -0.002 0.000 0.922 561 Q CB 1.576 30.338 28.738 0.039 0.000 1.215 561 Q HN 0.682 nan 8.270 nan 0.000 0.427 562 E N 1.831 121.985 120.200 -0.076 0.000 2.374 562 E HA 0.204 4.554 4.350 0.001 0.000 0.260 562 E C -0.916 175.692 176.600 0.013 0.000 1.101 562 E CA -0.515 55.866 56.400 -0.032 0.000 0.907 562 E CB 0.977 30.629 29.700 -0.079 0.000 1.014 562 E HN 0.392 nan 8.360 nan 0.000 0.427 563 V N 0.965 120.896 119.914 0.028 0.000 3.133 563 V HA 0.489 4.610 4.120 0.001 0.000 0.305 563 V C -2.051 174.042 176.094 -0.002 0.000 1.084 563 V CA -1.822 60.486 62.300 0.014 0.000 1.089 563 V CB 0.185 32.015 31.823 0.012 0.000 1.073 563 V HN 0.708 nan 8.190 nan 0.000 0.477 564 P HA 0.032 nan 4.420 nan 0.000 0.263 564 P C 0.896 178.191 177.300 -0.008 0.000 1.175 564 P CA 0.623 63.717 63.100 -0.009 0.000 0.761 564 P CB 0.101 31.794 31.700 -0.011 0.000 0.794 565 N N 2.389 121.084 118.700 -0.009 0.000 2.091 565 N HA -0.182 4.559 4.740 0.001 0.000 0.193 565 N C 1.589 177.096 175.510 -0.004 0.000 1.021 565 N CA 1.371 54.416 53.050 -0.007 0.000 0.862 565 N CB -0.310 38.172 38.487 -0.008 0.000 1.018 565 N HN 0.564 nan 8.380 nan 0.000 0.429 566 G N 0.013 108.811 108.800 -0.004 0.000 2.985 566 G HA2 -0.081 3.880 3.960 0.001 0.000 0.209 566 G HA3 -0.081 3.880 3.960 0.001 0.000 0.209 566 G C 0.347 175.246 174.900 -0.003 0.000 1.165 566 G CA -0.349 44.751 45.100 -0.001 0.000 0.776 566 G HN 0.412 nan 8.290 nan 0.000 0.541 567 Q N 1.383 121.179 119.800 -0.007 0.000 2.274 567 Q HA 0.257 4.598 4.340 0.001 0.000 0.280 567 Q C 0.569 176.564 176.000 -0.009 0.000 1.047 567 Q CA -0.298 55.497 55.803 -0.013 0.000 0.907 567 Q CB 0.419 29.145 28.738 -0.021 0.000 1.171 567 Q HN 0.189 nan 8.270 nan 0.000 0.381 568 S N 2.897 118.592 115.700 -0.009 0.000 2.563 568 S HA -0.056 4.415 4.470 0.001 0.000 0.284 568 S C 0.951 175.548 174.600 -0.007 0.000 1.331 568 S CA 0.057 58.254 58.200 -0.005 0.000 1.047 568 S CB 0.795 63.993 63.200 -0.004 0.000 0.859 568 S HN 0.835 nan 8.310 nan 0.000 0.514 569 K N 2.258 122.657 120.400 -0.001 0.000 2.211 569 K HA -0.047 4.273 4.320 0.001 0.000 0.203 569 K C 1.597 178.196 176.600 -0.003 0.000 1.050 569 K CA 1.391 57.679 56.287 0.002 0.000 0.945 569 K CB -0.086 32.418 32.500 0.007 0.000 0.732 569 K HN 0.748 nan 8.250 nan 0.000 0.451 570 E N 0.471 120.666 120.200 -0.009 0.000 2.358 570 E HA -0.106 4.244 4.350 0.001 0.000 0.195 570 E C -0.146 176.438 176.600 -0.028 0.000 1.010 570 E CA 0.167 56.557 56.400 -0.018 0.000 0.856 570 E CB 0.166 29.853 29.700 -0.023 0.000 0.795 570 E HN 0.193 nan 8.360 nan 0.000 0.504 571 D N 0.716 121.098 120.400 -0.030 0.000 2.393 571 D HA -0.018 4.623 4.640 0.001 0.000 0.232 571 D C 0.747 177.020 176.300 -0.045 0.000 1.192 571 D CA 0.057 54.027 54.000 -0.050 0.000 0.882 571 D CB 0.980 41.742 40.800 -0.063 0.000 1.038 571 D HN -0.016 nan 8.370 nan 0.000 0.499 572 T N 0.086 114.616 114.554 -0.040 0.000 3.107 572 T HA 0.076 4.427 4.350 0.001 0.000 0.249 572 T C 0.921 175.598 174.700 -0.038 0.000 1.096 572 T CA -0.290 61.795 62.100 -0.025 0.000 1.012 572 T CB -0.098 68.764 68.868 -0.009 0.000 0.977 572 T HN 0.080 nan 8.240 nan 0.000 0.527 573 V N 2.335 122.203 119.914 -0.075 0.000 2.493 573 V HA 0.452 4.572 4.120 0.001 0.000 0.292 573 V C 1.673 177.725 176.094 -0.070 0.000 1.016 573 V CA 1.176 63.420 62.300 -0.093 0.000 1.097 573 V CB -0.292 31.399 31.823 -0.221 0.000 0.947 573 V HN 0.856 nan 8.190 nan 0.000 0.479 574 G N 4.735 113.513 108.800 -0.037 0.000 2.176 574 G HA2 -0.195 3.765 3.960 0.001 0.000 0.232 574 G HA3 -0.195 3.765 3.960 0.001 0.000 0.232 574 G C 0.256 175.165 174.900 0.016 0.000 0.986 574 G CA -0.128 44.966 45.100 -0.010 0.000 0.643 574 G HN 0.601 nan 8.290 nan 0.000 0.522 575 R N 0.847 121.349 120.500 0.003 0.000 2.536 575 R HA 0.471 4.812 4.340 0.001 0.000 0.279 575 R C -2.230 174.058 176.300 -0.020 0.000 1.001 575 R CA -1.679 54.437 56.100 0.027 0.000 1.027 575 R CB 1.455 31.775 30.300 0.033 0.000 1.096 575 R HN 0.026 nan 8.270 nan 0.000 0.502 576 P HA 0.006 nan 4.420 nan 0.000 0.228 576 P C -0.542 176.784 177.300 0.043 0.000 1.748 576 P CA -0.137 62.904 63.100 -0.098 0.000 0.909 576 P CB -0.121 31.507 31.700 -0.121 0.000 1.882 577 L N 3.511 124.756 121.223 0.036 0.000 2.477 577 L HA 0.235 4.576 4.340 0.001 0.000 0.272 577 L C -2.061 174.898 176.870 0.149 0.000 1.157 577 L CA -1.735 53.159 54.840 0.091 0.000 0.889 577 L CB -0.312 41.773 42.059 0.043 0.000 1.158 577 L HN 0.040 nan 8.230 nan 0.000 0.473 578 P HA -0.039 nan 4.420 nan 0.000 0.272 578 P C -0.602 176.828 177.300 0.216 0.000 1.223 578 P CA -0.181 63.118 63.100 0.331 0.000 0.784 578 P CB 0.287 32.103 31.700 0.194 0.000 0.923 579 H N 2.225 121.374 119.070 0.131 0.000 3.192 579 H HA -0.067 4.490 4.556 0.001 0.000 0.295 579 H C 1.006 176.373 175.328 0.065 0.000 0.943 579 H CA 0.186 56.279 56.048 0.076 0.000 1.416 579 H CB 0.416 30.220 29.762 0.069 0.000 1.434 579 H HN 0.170 nan 8.280 nan 0.000 0.565 580 L N 5.145 126.442 121.223 0.124 0.000 2.189 580 L HA -0.169 4.172 4.340 0.001 0.000 0.214 580 L C 2.393 179.394 176.870 0.218 0.000 1.097 580 L CA 2.142 57.066 54.840 0.139 0.000 0.764 580 L CB -0.840 41.246 42.059 0.046 0.000 0.900 580 L HN 0.773 nan 8.230 nan 0.000 0.436 581 A N -1.920 121.147 122.820 0.412 0.000 2.348 581 A HA 0.420 4.741 4.320 0.001 0.000 0.224 581 A C 2.339 179.981 177.584 0.095 0.000 1.227 581 A CA 0.645 52.815 52.037 0.222 0.000 0.885 581 A CB -0.367 18.756 19.000 0.204 0.000 0.933 581 A HN 0.258 nan 8.150 nan 0.000 0.506 582 A N 0.613 123.492 122.820 0.099 0.000 1.903 582 A HA -0.005 4.316 4.320 0.001 0.000 0.219 582 A C 2.451 180.047 177.584 0.019 0.000 1.191 582 A CA 2.277 54.316 52.037 0.004 0.000 0.638 582 A CB -0.976 18.049 19.000 0.042 0.000 0.823 582 A HN 1.109 nan 8.150 nan 0.000 0.451 583 A N -0.818 122.027 122.820 0.041 0.000 1.902 583 A HA -0.122 4.198 4.320 0.001 0.000 0.217 583 A C 2.256 179.862 177.584 0.037 0.000 1.181 583 A CA 1.876 53.933 52.037 0.033 0.000 0.623 583 A CB -0.527 18.496 19.000 0.039 0.000 0.818 583 A HN 0.551 nan 8.150 nan 0.000 0.443 584 M N -1.085 118.541 119.600 0.044 0.000 2.319 584 M HA -0.153 4.328 4.480 0.001 0.000 0.265 584 M C 2.234 178.562 176.300 0.046 0.000 1.068 584 M CA 1.198 56.522 55.300 0.040 0.000 1.118 584 M CB -0.250 32.375 32.600 0.041 0.000 1.395 584 M HN 0.493 nan 8.290 nan 0.000 0.435 585 Q N -0.067 119.762 119.800 0.047 0.000 2.187 585 Q HA 0.011 4.351 4.340 0.001 0.000 0.199 585 Q C 2.172 178.212 176.000 0.066 0.000 0.957 585 Q CA 1.289 57.140 55.803 0.081 0.000 0.857 585 Q CB -0.076 28.700 28.738 0.063 0.000 0.929 585 Q HN 0.557 nan 8.270 nan 0.000 0.453 586 A N 0.731 123.579 122.820 0.046 0.000 2.067 586 A HA -0.086 4.235 4.320 0.001 0.000 0.217 586 A C 2.043 179.652 177.584 0.042 0.000 1.156 586 A CA 1.334 53.402 52.037 0.052 0.000 0.683 586 A CB -0.149 18.881 19.000 0.050 0.000 0.808 586 A HN 0.357 nan 8.150 nan 0.000 0.455 587 S N -2.283 113.438 115.700 0.034 0.000 2.556 587 S HA 0.392 4.863 4.470 0.001 0.000 0.216 587 S C 1.373 175.980 174.600 0.011 0.000 0.970 587 S CA 1.011 59.221 58.200 0.017 0.000 0.912 587 S CB -0.148 63.063 63.200 0.018 0.000 0.790 587 S HN 1.806 nan 8.310 nan 0.000 0.504 588 G N 1.351 110.168 108.800 0.029 0.000 2.155 588 G HA2 -0.290 3.671 3.960 0.001 0.000 0.257 588 G HA3 -0.290 3.671 3.960 0.001 0.000 0.257 588 G C 0.455 175.378 174.900 0.038 0.000 0.983 588 G CA 0.555 45.674 45.100 0.031 0.000 0.676 588 G HN 0.605 nan 8.290 nan 0.000 0.528 589 E N -0.023 120.197 120.200 0.034 0.000 2.385 589 E HA 0.405 4.756 4.350 0.001 0.000 0.194 589 E C 1.730 178.341 176.600 0.018 0.000 1.013 589 E CA 0.312 56.725 56.400 0.021 0.000 0.866 589 E CB 0.219 29.928 29.700 0.014 0.000 0.832 589 E HN 0.766 nan 8.360 nan 0.000 0.500 590 A N 1.685 124.521 122.820 0.027 0.000 2.524 590 A HA 0.168 4.489 4.320 0.001 0.000 0.250 590 A C 0.171 177.695 177.584 -0.100 0.000 1.078 590 A CA -0.110 51.895 52.037 -0.053 0.000 0.761 590 A CB 0.275 19.238 19.000 -0.062 0.000 1.012 590 A HN -0.001 nan 8.150 nan 0.000 0.500 591 V N 4.335 124.147 119.914 -0.171 0.000 2.406 591 V HA 0.288 4.409 4.120 0.001 0.000 0.272 591 V C -0.450 175.485 176.094 -0.265 0.000 1.043 591 V CA 0.002 62.230 62.300 -0.119 0.000 0.915 591 V CB -0.060 31.719 31.823 -0.073 0.000 0.988 591 V HN 0.751 nan 8.190 nan 0.000 0.466 592 Y N 1.740 122.095 120.300 0.093 0.000 2.534 592 Y HA 0.333 4.884 4.550 0.001 0.000 0.329 592 Y C 1.526 177.466 175.900 0.066 0.000 1.154 592 Y CA -0.324 57.841 58.100 0.109 0.000 1.192 592 Y CB 0.851 39.458 38.460 0.245 0.000 1.275 592 Y HN 0.650 nan 8.280 nan 0.000 0.491 593 C N 0.828 120.241 119.300 0.188 0.000 2.336 593 C HA -0.307 4.153 4.460 0.001 0.000 0.272 593 C C 2.537 177.582 174.990 0.091 0.000 1.160 593 C CA 2.598 61.683 59.018 0.112 0.000 1.783 593 C CB -0.810 26.988 27.740 0.096 0.000 2.050 593 C HN 1.103 nan 8.230 nan 0.000 0.443 594 D N -0.386 120.094 120.400 0.133 0.000 2.310 594 D HA -0.080 4.560 4.640 0.001 0.000 0.212 594 D C 1.542 177.901 176.300 0.097 0.000 0.965 594 D CA 1.022 55.093 54.000 0.117 0.000 0.879 594 D CB -0.335 40.555 40.800 0.150 0.000 0.921 594 D HN 0.561 nan 8.370 nan 0.000 0.510 595 D N -0.259 120.213 120.400 0.120 0.000 2.312 595 D HA -0.025 4.615 4.640 0.001 0.000 0.211 595 D C 0.619 176.913 176.300 -0.010 0.000 0.964 595 D CA 0.195 54.242 54.000 0.079 0.000 0.877 595 D CB 0.062 40.941 40.800 0.131 0.000 0.924 595 D HN 0.368 nan 8.370 nan 0.000 0.515 596 I N 2.540 123.075 120.570 -0.058 0.000 2.668 596 I HA 0.000 4.171 4.170 0.001 0.000 0.285 596 I C -1.966 174.048 176.117 -0.171 0.000 1.168 596 I CA -1.458 59.737 61.300 -0.174 0.000 1.424 596 I CB 0.297 38.108 38.000 -0.314 0.000 1.377 596 I HN -0.298 nan 8.210 nan 0.000 0.560 597 P HA 0.026 nan 4.420 nan 0.000 0.267 597 P C -0.966 176.184 177.300 -0.251 0.000 1.200 597 P CA -0.201 62.786 63.100 -0.188 0.000 0.772 597 P CB 0.381 31.958 31.700 -0.205 0.000 0.855 598 R N 2.174 122.579 120.500 -0.159 0.000 2.459 598 R HA 0.375 4.716 4.340 0.001 0.000 0.281 598 R C -0.532 175.674 176.300 -0.157 0.000 1.050 598 R CA -0.607 55.407 56.100 -0.143 0.000 1.055 598 R CB 0.210 30.488 30.300 -0.036 0.000 1.045 598 R HN 0.334 nan 8.270 nan 0.000 0.495 599 Y N 1.152 121.421 120.300 -0.053 0.000 2.357 599 Y HA -0.086 4.464 4.550 0.001 0.000 0.340 599 Y C 1.749 177.641 175.900 -0.014 0.000 1.260 599 Y CA 0.375 58.454 58.100 -0.035 0.000 1.425 599 Y CB 0.963 39.402 38.460 -0.035 0.000 1.326 599 Y HN 0.796 nan 8.280 nan 0.000 0.580 600 E N 0.140 120.444 120.200 0.174 0.000 2.160 600 E HA -0.254 4.096 4.350 0.001 0.000 0.195 600 E C 0.634 177.303 176.600 0.115 0.000 0.991 600 E CA 1.584 58.049 56.400 0.108 0.000 0.810 600 E CB -0.288 29.460 29.700 0.079 0.000 0.742 600 E HN 0.677 nan 8.360 nan 0.000 0.466 601 N N 1.067 119.838 118.700 0.118 0.000 2.251 601 N HA -0.004 4.737 4.740 0.001 0.000 0.217 601 N C -0.586 175.044 175.510 0.200 0.000 1.124 601 N CA -0.119 53.013 53.050 0.135 0.000 0.843 601 N CB 0.268 38.740 38.487 -0.025 0.000 1.024 601 N HN 0.254 nan 8.380 nan 0.000 0.501 602 E N 1.013 121.291 120.200 0.130 0.000 2.259 602 E HA 0.256 4.606 4.350 0.001 0.000 0.281 602 E C -0.509 176.033 176.600 -0.097 0.000 1.037 602 E CA -0.416 56.001 56.400 0.028 0.000 0.854 602 E CB 0.702 30.389 29.700 -0.021 0.000 1.051 602 E HN 0.242 nan 8.360 nan 0.000 0.409 603 L N 3.551 124.693 121.223 -0.134 0.000 2.365 603 L HA 0.514 4.854 4.340 0.001 0.000 0.267 603 L C -0.522 176.128 176.870 -0.368 0.000 1.033 603 L CA -1.015 53.748 54.840 -0.127 0.000 0.802 603 L CB 0.714 42.734 42.059 -0.065 0.000 1.267 603 L HN 0.516 nan 8.230 nan 0.000 0.457 604 F N 0.828 120.798 119.950 0.033 0.000 2.522 604 F HA 0.598 5.126 4.527 0.001 0.000 0.324 604 F C -0.166 175.658 175.800 0.041 0.000 1.077 604 F CA -0.559 57.467 58.000 0.043 0.000 0.944 604 F CB 1.759 40.785 39.000 0.043 0.000 1.175 604 F HN 0.163 nan 8.300 nan 0.000 0.468 605 L N 3.093 124.441 121.223 0.208 0.000 2.346 605 L HA 0.768 5.109 4.340 0.001 0.000 0.276 605 L C -1.032 175.940 176.870 0.170 0.000 1.006 605 L CA -0.819 54.113 54.840 0.154 0.000 0.817 605 L CB 1.483 43.612 42.059 0.116 0.000 1.272 605 L HN 0.688 nan 8.230 nan 0.000 0.421 606 R N 4.515 125.109 120.500 0.156 0.000 2.476 606 R HA 0.555 4.895 4.340 0.001 0.000 0.305 606 R C -1.624 174.768 176.300 0.154 0.000 0.965 606 R CA -0.419 55.773 56.100 0.154 0.000 0.867 606 R CB 1.208 31.601 30.300 0.154 0.000 1.176 606 R HN 0.697 nan 8.270 nan 0.000 0.447 607 L N 3.909 125.223 121.223 0.153 0.000 2.426 607 L HA 0.314 4.654 4.340 0.001 0.000 0.271 607 L C -0.289 176.674 176.870 0.156 0.000 1.169 607 L CA -0.596 54.338 54.840 0.157 0.000 0.836 607 L CB 1.146 43.305 42.059 0.166 0.000 1.112 607 L HN 0.339 nan 8.230 nan 0.000 0.465 608 V N 1.944 121.948 119.914 0.150 0.000 2.328 608 V HA 0.354 4.474 4.120 0.001 0.000 0.278 608 V C 0.332 176.514 176.094 0.147 0.000 1.021 608 V CA -0.481 61.915 62.300 0.161 0.000 0.838 608 V CB 1.372 33.328 31.823 0.221 0.000 0.999 608 V HN 0.915 nan 8.190 nan 0.000 0.447 609 T N 1.186 115.834 114.554 0.157 0.000 2.932 609 T HA 0.550 4.901 4.350 0.001 0.000 0.289 609 T C 0.098 174.914 174.700 0.192 0.000 1.039 609 T CA -0.627 61.576 62.100 0.172 0.000 1.024 609 T CB 1.782 70.755 68.868 0.175 0.000 1.090 609 T HN 0.538 nan 8.240 nan 0.000 0.496 610 S N 0.608 116.439 115.700 0.218 0.000 2.549 610 S HA 0.241 4.712 4.470 0.001 0.000 0.286 610 S C 1.338 176.026 174.600 0.148 0.000 1.314 610 S CA 0.108 58.462 58.200 0.257 0.000 1.062 610 S CB -0.037 63.324 63.200 0.268 0.000 0.865 610 S HN 1.002 nan 8.310 nan 0.000 0.498 611 T N 2.543 117.128 114.554 0.052 0.000 3.069 611 T HA 0.363 4.713 4.350 0.001 0.000 0.252 611 T C 0.342 174.929 174.700 -0.188 0.000 1.053 611 T CA -0.447 61.628 62.100 -0.041 0.000 0.964 611 T CB 0.043 68.907 68.868 -0.007 0.000 1.005 611 T HN 0.415 nan 8.240 nan 0.000 0.532 612 R N 0.406 120.719 120.500 -0.311 0.000 2.711 612 R HA 0.785 5.125 4.340 0.001 0.000 0.284 612 R C 0.997 177.264 176.300 -0.055 0.000 0.968 612 R CA -0.317 55.616 56.100 -0.278 0.000 0.924 612 R CB 1.270 31.242 30.300 -0.546 0.000 1.162 612 R HN 0.145 nan 8.270 nan 0.000 0.465 613 A N 1.031 123.850 122.820 -0.002 0.000 1.929 613 A HA -0.070 4.250 4.320 0.001 0.000 0.216 613 A C 0.391 178.063 177.584 0.146 0.000 1.176 613 A CA 1.261 53.334 52.037 0.061 0.000 0.628 613 A CB -0.080 18.946 19.000 0.043 0.000 0.816 613 A HN 0.730 nan 8.150 nan 0.000 0.444 614 H N -2.034 117.045 119.070 0.016 0.000 3.179 614 H HA 0.526 5.083 4.556 0.001 0.000 0.331 614 H C -1.146 174.213 175.328 0.052 0.000 1.013 614 H CA -0.230 55.847 56.048 0.048 0.000 1.430 614 H CB 0.991 30.770 29.762 0.029 0.000 1.895 614 H HN 0.489 nan 8.280 nan 0.000 0.468 615 A N 4.289 127.215 122.820 0.177 0.000 2.586 615 A HA 0.373 4.693 4.320 0.001 0.000 0.291 615 A C -1.563 176.114 177.584 0.155 0.000 1.062 615 A CA -1.007 51.082 52.037 0.086 0.000 0.666 615 A CB 1.655 20.740 19.000 0.141 0.000 1.281 615 A HN 0.563 nan 8.150 nan 0.000 0.421 616 K N 0.633 121.094 120.400 0.102 0.000 2.174 616 K HA 0.546 4.867 4.320 0.001 0.000 0.275 616 K C -0.862 175.790 176.600 0.087 0.000 1.015 616 K CA -0.175 56.163 56.287 0.085 0.000 0.933 616 K CB 1.211 33.733 32.500 0.037 0.000 1.025 616 K HN 0.521 nan 8.250 nan 0.000 0.463 617 I N 4.285 124.873 120.570 0.030 0.000 2.291 617 I HA 0.023 4.194 4.170 0.001 0.000 0.292 617 I C 1.290 177.364 176.117 -0.071 0.000 1.064 617 I CA -0.175 61.077 61.300 -0.080 0.000 1.269 617 I CB 0.589 38.539 38.000 -0.083 0.000 1.418 617 I HN 0.458 nan 8.210 nan 0.000 0.485 618 K N 2.921 123.267 120.400 -0.090 0.000 2.116 618 K HA 0.097 4.418 4.320 0.001 0.000 0.203 618 K C 0.718 177.274 176.600 -0.072 0.000 1.052 618 K CA 0.629 56.881 56.287 -0.058 0.000 0.952 618 K CB 0.269 32.744 32.500 -0.042 0.000 0.729 618 K HN 0.595 nan 8.250 nan 0.000 0.446 619 S N -0.542 115.088 115.700 -0.117 0.000 2.578 619 S HA 0.512 4.983 4.470 0.001 0.000 0.272 619 S C -1.838 172.669 174.600 -0.155 0.000 1.145 619 S CA -0.852 57.284 58.200 -0.107 0.000 0.835 619 S CB 1.020 64.169 63.200 -0.084 0.000 1.104 619 S HN 0.072 nan 8.310 nan 0.000 0.458 620 I N 2.842 123.333 120.570 -0.132 0.000 2.478 620 I HA 0.387 4.557 4.170 0.001 0.000 0.287 620 I C -1.488 174.517 176.117 -0.187 0.000 1.042 620 I CA -0.574 60.614 61.300 -0.185 0.000 1.067 620 I CB 2.020 39.922 38.000 -0.162 0.000 1.233 620 I HN 0.577 nan 8.210 nan 0.000 0.431 621 D N 5.771 126.041 120.400 -0.216 0.000 2.344 621 D HA 0.341 4.982 4.640 0.001 0.000 0.239 621 D C 0.329 176.474 176.300 -0.259 0.000 1.064 621 D CA -0.443 53.442 54.000 -0.192 0.000 0.829 621 D CB 2.124 42.836 40.800 -0.147 0.000 1.129 621 D HN 0.330 nan 8.370 nan 0.000 0.506 622 V N 1.290 121.052 119.914 -0.253 0.000 3.319 622 V HA 0.186 4.307 4.120 0.001 0.000 0.317 622 V C 1.518 177.452 176.094 -0.267 0.000 1.411 622 V CA 0.067 62.188 62.300 -0.298 0.000 1.112 622 V CB -0.020 31.639 31.823 -0.273 0.000 1.031 622 V HN 0.358 nan 8.190 nan 0.000 0.448 623 S N 1.329 116.909 115.700 -0.199 0.000 2.374 623 S HA -0.195 4.275 4.470 0.001 0.000 0.227 623 S C 1.926 176.404 174.600 -0.203 0.000 1.037 623 S CA 2.221 60.316 58.200 -0.174 0.000 1.024 623 S CB -0.238 62.888 63.200 -0.124 0.000 0.861 623 S HN 0.725 nan 8.310 nan 0.000 0.456 624 E N 1.262 121.344 120.200 -0.197 0.000 2.072 624 E HA 0.040 4.390 4.350 0.001 0.000 0.190 624 E C 2.443 178.896 176.600 -0.245 0.000 0.982 624 E CA 1.013 57.304 56.400 -0.183 0.000 0.803 624 E CB -0.633 28.980 29.700 -0.145 0.000 0.755 624 E HN 0.468 nan 8.360 nan 0.000 0.453 625 A N 1.441 124.074 122.820 -0.312 0.000 1.908 625 A HA -0.256 4.065 4.320 0.001 0.000 0.218 625 A C 2.096 179.183 177.584 -0.829 0.000 1.181 625 A CA 1.700 53.490 52.037 -0.411 0.000 0.627 625 A CB -0.656 18.137 19.000 -0.345 0.000 0.818 625 A HN 0.249 nan 8.150 nan 0.000 0.445 626 Q N -0.599 118.627 119.800 -0.958 0.000 2.297 626 Q HA -0.159 4.182 4.340 0.001 0.000 0.208 626 Q C 1.680 177.417 176.000 -0.439 0.000 0.981 626 Q CA 1.485 56.695 55.803 -0.988 0.000 0.876 626 Q CB -0.139 28.304 28.738 -0.492 0.000 0.921 626 Q HN 0.671 nan 8.270 nan 0.000 0.446 627 K N -0.150 120.066 120.400 -0.308 0.000 2.365 627 K HA 0.068 4.388 4.320 0.001 0.000 0.197 627 K C 0.202 176.727 176.600 -0.124 0.000 1.042 627 K CA 0.006 56.195 56.287 -0.163 0.000 0.987 627 K CB 0.530 32.954 32.500 -0.127 0.000 0.779 627 K HN -0.047 nan 8.250 nan 0.000 0.484 628 V N 3.952 123.783 119.914 -0.138 0.000 2.585 628 V HA 0.021 4.142 4.120 0.001 0.000 0.296 628 V C -2.204 173.826 176.094 -0.107 0.000 1.035 628 V CA -1.412 60.834 62.300 -0.090 0.000 1.084 628 V CB 0.343 32.156 31.823 -0.018 0.000 0.953 628 V HN 0.059 nan 8.190 nan 0.000 0.483 629 P HA 0.231 nan 4.420 nan 0.000 0.265 629 P C 0.936 177.994 177.300 -0.402 0.000 1.193 629 P CA 1.274 64.187 63.100 -0.311 0.000 0.765 629 P CB 0.613 32.084 31.700 -0.382 0.000 0.823 630 G N 2.088 110.836 108.800 -0.086 0.000 2.205 630 G HA2 -0.303 3.658 3.960 0.001 0.000 0.261 630 G HA3 -0.303 3.658 3.960 0.001 0.000 0.261 630 G C 0.153 175.129 174.900 0.126 0.000 0.980 630 G CA -0.358 44.785 45.100 0.072 0.000 0.632 630 G HN 0.556 nan 8.290 nan 0.000 0.533 631 F N 1.076 121.017 119.950 -0.015 0.000 2.608 631 F HA 0.396 4.924 4.527 0.001 0.000 0.380 631 F C 1.325 177.140 175.800 0.024 0.000 1.083 631 F CA 1.014 59.026 58.000 0.020 0.000 1.266 631 F CB 1.011 40.012 39.000 0.002 0.000 1.076 631 F HN -0.073 nan 8.300 nan 0.000 0.574 632 V N 4.413 123.912 119.914 -0.691 0.000 2.911 632 V HA 0.110 4.231 4.120 0.001 0.000 0.237 632 V C 0.265 175.949 176.094 -0.683 0.000 1.156 632 V CA 1.049 63.059 62.300 -0.482 0.000 1.180 632 V CB 0.383 32.020 31.823 -0.310 0.000 0.932 632 V HN 1.055 nan 8.190 nan 0.000 0.483 633 C N -1.929 116.725 119.300 -1.075 0.000 3.197 633 C HA 0.627 5.087 4.460 0.001 0.000 0.343 633 C C -1.497 173.331 174.990 -0.269 0.000 1.291 633 C CA -1.344 57.337 59.018 -0.563 0.000 1.191 633 C CB 0.710 28.331 27.740 -0.198 0.000 1.444 633 C HN 0.279 nan 8.230 nan 0.000 0.468 634 F N 1.889 121.848 119.950 0.015 0.000 2.458 634 F HA 0.859 5.387 4.527 0.001 0.000 0.336 634 F C -0.905 174.892 175.800 -0.005 0.000 1.114 634 F CA -1.356 56.686 58.000 0.071 0.000 0.987 634 F CB 0.928 40.033 39.000 0.174 0.000 1.130 634 F HN 0.738 nan 8.300 nan 0.000 0.458 635 L N 5.643 126.340 121.223 -0.877 0.000 2.334 635 L HA 0.745 5.085 4.340 0.001 0.000 0.276 635 L C -0.302 175.852 176.870 -1.194 0.000 1.014 635 L CA -0.543 53.877 54.840 -0.698 0.000 0.815 635 L CB 1.978 43.894 42.059 -0.238 0.000 1.268 635 L HN 0.821 nan 8.230 nan 0.000 0.428 636 S N 0.594 115.909 115.700 -0.641 0.000 2.776 636 S HA 0.609 5.080 4.470 0.001 0.000 0.292 636 S C 0.638 175.300 174.600 0.102 0.000 1.187 636 S CA -0.130 57.765 58.200 -0.508 0.000 0.834 636 S CB 1.248 64.249 63.200 -0.332 0.000 1.199 636 S HN 0.624 nan 8.310 nan 0.000 0.514 637 A N 0.856 123.786 122.820 0.184 0.000 1.927 637 A HA -0.182 4.138 4.320 0.001 0.000 0.220 637 A C 1.370 179.024 177.584 0.118 0.000 1.185 637 A CA 2.558 54.722 52.037 0.212 0.000 0.639 637 A CB -1.741 17.343 19.000 0.140 0.000 0.820 637 A HN 0.894 nan 8.150 nan 0.000 0.451 638 D N 0.044 120.489 120.400 0.076 0.000 2.310 638 D HA -0.078 4.562 4.640 0.001 0.000 0.212 638 D C 1.044 177.381 176.300 0.061 0.000 0.965 638 D CA 1.121 55.155 54.000 0.057 0.000 0.879 638 D CB -0.131 40.697 40.800 0.047 0.000 0.921 638 D HN 0.468 nan 8.370 nan 0.000 0.510 639 D N 0.203 120.649 120.400 0.077 0.000 2.323 639 D HA 0.019 4.659 4.640 0.001 0.000 0.209 639 D C 0.676 177.037 176.300 0.102 0.000 0.973 639 D CA 0.152 54.208 54.000 0.093 0.000 0.874 639 D CB 0.375 41.229 40.800 0.090 0.000 0.930 639 D HN 0.294 nan 8.370 nan 0.000 0.521 640 I N 3.681 124.288 120.570 0.062 0.000 2.587 640 I HA -0.048 4.123 4.170 0.001 0.000 0.284 640 I C -0.797 175.291 176.117 -0.049 0.000 1.134 640 I CA -0.895 60.391 61.300 -0.023 0.000 1.410 640 I CB 1.023 38.990 38.000 -0.055 0.000 1.392 640 I HN -0.128 nan 8.210 nan 0.000 0.545 641 P HA -0.010 nan 4.420 nan 0.000 0.221 641 P C 0.942 178.164 177.300 -0.129 0.000 1.155 641 P CA 0.818 63.837 63.100 -0.135 0.000 0.812 641 P CB 0.510 32.009 31.700 -0.334 0.000 0.801 642 G N -0.094 108.607 108.800 -0.165 0.000 2.756 642 G HA2 0.206 4.166 3.960 0.001 0.000 0.203 642 G HA3 0.206 4.166 3.960 0.001 0.000 0.203 642 G C -0.247 174.595 174.900 -0.097 0.000 2.015 642 G CA 0.227 45.251 45.100 -0.126 0.000 0.835 642 G HN 0.370 nan 8.290 nan 0.000 0.648 643 S N -0.704 114.931 115.700 -0.109 0.000 2.513 643 S HA 0.383 4.853 4.470 0.001 0.000 0.299 643 S C 0.022 174.557 174.600 -0.110 0.000 1.087 643 S CA -0.606 57.537 58.200 -0.095 0.000 1.012 643 S CB 1.766 64.907 63.200 -0.098 0.000 1.044 643 S HN 0.329 nan 8.310 nan 0.000 0.485 644 N N 2.443 121.094 118.700 -0.081 0.000 2.268 644 N HA 0.113 4.854 4.740 0.001 0.000 0.204 644 N C -0.204 175.259 175.510 -0.078 0.000 1.124 644 N CA -0.046 52.957 53.050 -0.079 0.000 0.838 644 N CB 0.286 38.758 38.487 -0.024 0.000 0.994 644 N HN 0.760 nan 8.380 nan 0.000 0.489 645 E N -0.022 120.119 120.200 -0.098 0.000 2.134 645 E HA 0.279 4.629 4.350 0.001 0.000 0.278 645 E C -0.827 175.655 176.600 -0.196 0.000 0.959 645 E CA -0.276 56.061 56.400 -0.105 0.000 0.783 645 E CB 0.930 30.582 29.700 -0.080 0.000 1.095 645 E HN 0.086 nan 8.360 nan 0.000 0.399 646 T N 2.188 116.607 114.554 -0.225 0.000 2.618 646 T HA 0.765 5.115 4.350 0.001 0.000 0.286 646 T C -0.621 173.862 174.700 -0.360 0.000 1.027 646 T CA 0.387 62.227 62.100 -0.434 0.000 1.063 646 T CB 1.148 69.769 68.868 -0.411 0.000 1.440 646 T HN 0.925 nan 8.240 nan 0.000 0.505 647 G N 0.146 108.651 108.800 -0.492 0.000 2.690 647 G HA2 -0.090 3.870 3.960 0.001 0.000 0.686 647 G HA3 -0.090 3.870 3.960 0.001 0.000 0.686 647 G C 0.571 175.490 174.900 0.031 0.000 1.277 647 G CA -0.193 44.880 45.100 -0.046 0.000 0.799 647 G HN 0.867 nan 8.290 nan 0.000 0.613 648 L N -0.361 121.005 121.223 0.240 0.000 2.127 648 L HA -0.004 4.336 4.340 0.001 0.000 0.211 648 L C 1.890 178.507 176.870 -0.422 0.000 1.089 648 L CA 1.565 56.411 54.840 0.011 0.000 0.757 648 L CB -0.247 41.775 42.059 -0.063 0.000 0.899 648 L HN 0.463 nan 8.230 nan 0.000 0.434 649 F N -0.730 119.247 119.950 0.045 0.000 2.855 649 F HA 0.215 4.743 4.527 0.001 0.000 0.317 649 F C 0.587 176.370 175.800 -0.028 0.000 1.169 649 F CA -0.709 57.294 58.000 0.004 0.000 1.299 649 F CB -0.575 38.413 39.000 -0.020 0.000 0.962 649 F HN -0.001 nan 8.300 nan 0.000 0.506 650 N N 0.388 119.093 118.700 0.008 0.000 2.710 650 N HA -0.258 4.483 4.740 0.001 0.000 0.249 650 N C 0.216 175.736 175.510 0.016 0.000 1.059 650 N CA 0.829 53.857 53.050 -0.038 0.000 0.720 650 N CB -0.757 37.711 38.487 -0.032 0.000 0.983 650 N HN 0.291 nan 8.380 nan 0.000 0.544 651 D N -0.019 120.407 120.400 0.044 0.000 2.346 651 D HA 0.081 4.722 4.640 0.001 0.000 0.206 651 D C 0.355 176.676 176.300 0.035 0.000 1.001 651 D CA 0.811 54.843 54.000 0.053 0.000 0.871 651 D CB 0.447 41.282 40.800 0.058 0.000 0.943 651 D HN 0.535 nan 8.370 nan 0.000 0.518 652 E N -1.033 119.173 120.200 0.010 0.000 2.355 652 E HA 0.495 4.846 4.350 0.001 0.000 0.261 652 E C -0.356 176.256 176.600 0.020 0.000 0.943 652 E CA -0.834 55.579 56.400 0.022 0.000 0.806 652 E CB 1.612 31.323 29.700 0.018 0.000 1.286 652 E HN -0.068 nan 8.360 nan 0.000 0.424 653 T N -2.397 112.207 114.554 0.083 0.000 2.925 653 T HA 0.305 4.655 4.350 0.001 0.000 0.285 653 T C 0.757 175.488 174.700 0.051 0.000 1.021 653 T CA -0.811 61.338 62.100 0.081 0.000 1.042 653 T CB 1.356 70.326 68.868 0.171 0.000 1.037 653 T HN 0.163 nan 8.240 nan 0.000 0.481 654 V N 0.329 120.213 119.914 -0.050 0.000 2.407 654 V HA 0.254 4.375 4.120 0.001 0.000 0.245 654 V C 0.183 176.185 176.094 -0.152 0.000 1.041 654 V CA 0.898 63.074 62.300 -0.207 0.000 1.040 654 V CB -0.598 30.981 31.823 -0.406 0.000 0.671 654 V HN 0.847 nan 8.190 nan 0.000 0.455 655 F N -0.729 119.236 119.950 0.025 0.000 2.557 655 F HA 0.677 5.204 4.527 0.001 0.000 0.316 655 F C 0.345 176.138 175.800 -0.011 0.000 1.141 655 F CA -1.062 56.940 58.000 0.003 0.000 0.922 655 F CB 1.308 40.289 39.000 -0.032 0.000 1.194 655 F HN 0.008 nan 8.300 nan 0.000 0.443 656 A N 3.276 126.158 122.820 0.103 0.000 2.587 656 A HA 0.204 4.524 4.320 0.001 0.000 0.235 656 A C -0.378 177.218 177.584 0.020 0.000 1.044 656 A CA 0.358 52.342 52.037 -0.088 0.000 0.754 656 A CB 0.259 18.994 19.000 -0.441 0.000 0.968 656 A HN 0.594 nan 8.150 nan 0.000 0.509 657 K N 1.950 122.378 120.400 0.048 0.000 2.545 657 K HA 0.446 4.766 4.320 0.001 0.000 0.252 657 K C -0.121 176.514 176.600 0.058 0.000 0.948 657 K CA 0.061 56.382 56.287 0.056 0.000 0.827 657 K CB 0.760 33.300 32.500 0.067 0.000 1.128 657 K HN 0.713 nan 8.250 nan 0.000 0.429 658 D N 0.242 120.668 120.400 0.043 0.000 3.031 658 D HA -0.216 4.425 4.640 0.001 0.000 0.180 658 D C -0.189 176.150 176.300 0.065 0.000 1.571 658 D CA 2.104 56.132 54.000 0.046 0.000 2.057 658 D CB -0.670 40.162 40.800 0.054 0.000 1.356 658 D HN 0.584 nan 8.370 nan 0.000 0.442 659 T N -0.386 114.226 114.554 0.096 0.000 2.900 659 T HA 0.587 4.938 4.350 0.001 0.000 0.303 659 T C -1.266 173.548 174.700 0.190 0.000 1.142 659 T CA -0.261 61.932 62.100 0.154 0.000 1.007 659 T CB 1.920 70.906 68.868 0.197 0.000 1.156 659 T HN 0.221 nan 8.240 nan 0.000 0.490 660 V N 1.916 121.992 119.914 0.270 0.000 2.581 660 V HA 0.823 4.943 4.120 0.001 0.000 0.303 660 V C 0.668 177.047 176.094 0.476 0.000 1.041 660 V CA -0.143 62.387 62.300 0.382 0.000 0.907 660 V CB 1.242 33.252 31.823 0.312 0.000 0.994 660 V HN 1.063 nan 8.190 nan 0.000 0.442 661 T N -1.239 113.629 114.554 0.524 0.000 3.145 661 T HA 0.431 4.781 4.350 0.001 0.000 0.281 661 T C 0.180 174.891 174.700 0.019 0.000 1.003 661 T CA 0.324 62.490 62.100 0.110 0.000 0.901 661 T CB -0.716 68.121 68.868 -0.052 0.000 1.112 661 T HN 1.813 nan 8.240 nan 0.000 0.535 662 C N -0.891 118.478 119.300 0.116 0.000 3.249 662 C HA 0.684 5.145 4.460 0.001 0.000 0.358 662 C C -0.614 174.455 174.990 0.132 0.000 1.187 662 C CA -1.201 57.861 59.018 0.073 0.000 1.170 662 C CB 0.742 28.490 27.740 0.014 0.000 1.478 662 C HN 0.154 nan 8.230 nan 0.000 0.508 663 V N 3.221 123.194 119.914 0.099 0.000 2.521 663 V HA 0.545 4.665 4.120 0.001 0.000 0.286 663 V C 1.575 177.749 176.094 0.133 0.000 1.034 663 V CA 2.348 64.709 62.300 0.102 0.000 1.045 663 V CB 0.515 32.384 31.823 0.077 0.000 0.974 663 V HN 2.337 nan 8.190 nan 0.000 0.480 664 G N 3.251 112.148 108.800 0.161 0.000 2.201 664 G HA2 -0.231 3.730 3.960 0.001 0.000 0.212 664 G HA3 -0.231 3.730 3.960 0.001 0.000 0.212 664 G C 0.251 175.287 174.900 0.227 0.000 0.994 664 G CA 0.160 45.362 45.100 0.170 0.000 0.644 664 G HN 0.920 nan 8.290 nan 0.000 0.508 665 H N 0.861 120.006 119.070 0.124 0.000 3.107 665 H HA 0.353 4.909 4.556 0.001 0.000 0.301 665 H C 0.795 176.218 175.328 0.158 0.000 0.981 665 H CA -0.442 55.687 56.048 0.135 0.000 1.443 665 H CB 0.173 30.018 29.762 0.137 0.000 1.479 665 H HN 0.262 nan 8.280 nan 0.000 0.564 666 I N 7.585 128.401 120.570 0.410 0.000 2.505 666 I HA -0.144 4.026 4.170 0.001 0.000 0.287 666 I C 1.003 177.222 176.117 0.170 0.000 1.104 666 I CA 0.336 61.804 61.300 0.281 0.000 1.387 666 I CB 0.552 38.758 38.000 0.343 0.000 1.404 666 I HN 0.712 nan 8.210 nan 0.000 0.528 667 I N 4.912 125.523 120.570 0.069 0.000 2.731 667 I HA 0.206 4.376 4.170 0.001 0.000 0.260 667 I C 1.293 177.277 176.117 -0.222 0.000 1.138 667 I CA 0.410 61.697 61.300 -0.022 0.000 1.461 667 I CB 0.050 38.065 38.000 0.026 0.000 1.128 667 I HN 0.760 nan 8.210 nan 0.000 0.438 668 G N 0.056 108.634 108.800 -0.370 0.000 2.435 668 G HA2 0.721 4.681 3.960 0.001 0.000 0.296 668 G HA3 0.721 4.681 3.960 0.001 0.000 0.296 668 G C -2.051 172.499 174.900 -0.584 0.000 1.240 668 G CA 0.156 44.606 45.100 -1.084 0.000 0.872 668 G HN 0.222 nan 8.290 nan 0.000 0.480 669 A N -1.418 121.077 122.820 -0.543 0.000 2.589 669 A HA 0.746 5.066 4.320 0.001 0.000 0.296 669 A C -1.437 176.162 177.584 0.025 0.000 1.062 669 A CA -0.392 51.592 52.037 -0.089 0.000 0.686 669 A CB 1.664 20.681 19.000 0.028 0.000 1.282 669 A HN 1.533 nan 8.150 nan 0.000 0.404 670 V N 1.350 121.364 119.914 0.166 0.000 2.483 670 V HA 0.581 4.701 4.120 0.001 0.000 0.295 670 V C -0.326 175.806 176.094 0.064 0.000 1.035 670 V CA -0.460 61.950 62.300 0.185 0.000 0.896 670 V CB 1.653 33.653 31.823 0.294 0.000 0.986 670 V HN 0.711 nan 8.190 nan 0.000 0.447 671 V N 3.924 123.794 119.914 -0.074 0.000 2.495 671 V HA 0.920 5.041 4.120 0.001 0.000 0.298 671 V C 0.209 176.227 176.094 -0.126 0.000 1.031 671 V CA -0.150 62.107 62.300 -0.072 0.000 0.871 671 V CB 1.399 33.150 31.823 -0.119 0.000 0.988 671 V HN 1.080 nan 8.190 nan 0.000 0.432 672 A N 2.972 125.812 122.820 0.034 0.000 2.564 672 A HA 0.708 5.028 4.320 0.001 0.000 0.288 672 A C 0.475 178.172 177.584 0.189 0.000 1.164 672 A CA -0.085 52.002 52.037 0.084 0.000 0.712 672 A CB 1.428 20.536 19.000 0.179 0.000 1.303 672 A HN 0.746 nan 8.150 nan 0.000 0.418 673 D N -0.424 120.100 120.400 0.207 0.000 2.277 673 D HA 0.029 4.669 4.640 0.001 0.000 0.208 673 D C 0.732 177.200 176.300 0.281 0.000 0.962 673 D CA 1.733 55.882 54.000 0.248 0.000 0.865 673 D CB -0.255 40.664 40.800 0.199 0.000 0.939 673 D HN 0.723 nan 8.370 nan 0.000 0.510 674 T N -4.894 109.717 114.554 0.096 0.000 2.883 674 T HA 0.484 4.835 4.350 0.001 0.000 0.296 674 T C -2.483 171.959 174.700 -0.430 0.000 1.117 674 T CA -1.745 60.143 62.100 -0.354 0.000 1.006 674 T CB 2.493 71.102 68.868 -0.432 0.000 1.191 674 T HN -0.391 nan 8.240 nan 0.000 0.508 675 P HA 0.024 nan 4.420 nan 0.000 0.217 675 P C 1.103 178.300 177.300 -0.171 0.000 1.151 675 P CA 0.937 63.806 63.100 -0.384 0.000 0.828 675 P CB 0.123 31.569 31.700 -0.424 0.000 0.788 676 E N -1.229 118.831 120.200 -0.233 0.000 2.051 676 E HA -0.196 4.155 4.350 0.001 0.000 0.192 676 E C 1.988 178.590 176.600 0.003 0.000 0.991 676 E CA 1.373 57.688 56.400 -0.141 0.000 0.799 676 E CB -1.140 28.432 29.700 -0.213 0.000 0.748 676 E HN 0.512 nan 8.360 nan 0.000 0.449 677 H N -0.585 118.477 119.070 -0.013 0.000 2.389 677 H HA 0.022 4.579 4.556 0.001 0.000 0.299 677 H C 1.931 177.315 175.328 0.093 0.000 1.081 677 H CA 0.568 56.643 56.048 0.046 0.000 1.345 677 H CB 0.079 29.875 29.762 0.057 0.000 1.393 677 H HN 0.215 nan 8.280 nan 0.000 0.520 678 A N 0.979 123.919 122.820 0.200 0.000 1.898 678 A HA -0.203 4.117 4.320 0.001 0.000 0.216 678 A C 2.167 179.853 177.584 0.169 0.000 1.181 678 A CA 1.641 53.791 52.037 0.188 0.000 0.620 678 A CB -0.347 18.756 19.000 0.172 0.000 0.819 678 A HN 0.483 nan 8.150 nan 0.000 0.442 679 E N -0.302 119.970 120.200 0.119 0.000 2.051 679 E HA -0.207 4.144 4.350 0.001 0.000 0.192 679 E C 2.294 178.969 176.600 0.124 0.000 0.991 679 E CA 1.142 57.601 56.400 0.098 0.000 0.799 679 E CB -0.081 29.638 29.700 0.031 0.000 0.748 679 E HN 0.585 nan 8.360 nan 0.000 0.449 680 R N 0.027 120.600 120.500 0.121 0.000 2.096 680 R HA -0.100 4.240 4.340 0.001 0.000 0.235 680 R C 2.369 178.762 176.300 0.156 0.000 1.127 680 R CA 1.144 57.325 56.100 0.135 0.000 0.968 680 R CB -0.269 30.103 30.300 0.121 0.000 0.861 680 R HN 0.157 nan 8.270 nan 0.000 0.440 681 A N 1.242 124.162 122.820 0.167 0.000 1.873 681 A HA -0.066 4.255 4.320 0.001 0.000 0.215 681 A C 2.387 180.053 177.584 0.137 0.000 1.186 681 A CA 1.531 53.660 52.037 0.154 0.000 0.616 681 A CB -0.722 18.471 19.000 0.323 0.000 0.823 681 A HN 0.376 nan 8.150 nan 0.000 0.442 682 A N -0.844 122.085 122.820 0.183 0.000 1.940 682 A HA -0.224 4.096 4.320 0.001 0.000 0.219 682 A C 2.011 179.668 177.584 0.122 0.000 1.176 682 A CA 2.212 54.346 52.037 0.160 0.000 0.631 682 A CB -0.928 18.180 19.000 0.181 0.000 0.814 682 A HN 0.771 nan 8.150 nan 0.000 0.446 683 H N 0.229 119.329 119.070 0.051 0.000 2.456 683 H HA -0.057 4.500 4.556 0.001 0.000 0.296 683 H C 1.484 176.817 175.328 0.007 0.000 1.079 683 H CA 1.930 57.998 56.048 0.033 0.000 1.322 683 H CB -0.095 29.684 29.762 0.029 0.000 1.388 683 H HN 0.343 nan 8.280 nan 0.000 0.538 684 V N -1.605 118.242 119.914 -0.112 0.000 3.596 684 V HA 0.281 4.401 4.120 0.001 0.000 0.289 684 V C 0.612 176.598 176.094 -0.180 0.000 1.336 684 V CA -0.265 61.921 62.300 -0.191 0.000 1.137 684 V CB -0.308 31.445 31.823 -0.117 0.000 0.966 684 V HN 0.028 nan 8.190 nan 0.000 0.428 685 V N 2.363 122.177 119.914 -0.166 0.000 2.521 685 V HA 0.186 4.307 4.120 0.001 0.000 0.286 685 V C 0.429 176.398 176.094 -0.207 0.000 1.034 685 V CA 0.092 62.251 62.300 -0.236 0.000 1.045 685 V CB 1.016 32.666 31.823 -0.288 0.000 0.974 685 V HN 0.620 nan 8.190 nan 0.000 0.480 686 K N 4.868 125.139 120.400 -0.216 0.000 2.263 686 K HA 0.567 4.888 4.320 0.001 0.000 0.272 686 K C -1.248 175.237 176.600 -0.191 0.000 1.033 686 K CA -0.478 55.709 56.287 -0.167 0.000 0.884 686 K CB 1.378 33.795 32.500 -0.138 0.000 1.107 686 K HN 0.498 nan 8.250 nan 0.000 0.460 687 V N 3.667 123.470 119.914 -0.184 0.000 2.398 687 V HA 0.260 4.380 4.120 0.001 0.000 0.286 687 V C -0.216 175.655 176.094 -0.371 0.000 1.026 687 V CA -0.750 61.343 62.300 -0.345 0.000 0.868 687 V CB 1.746 33.270 31.823 -0.498 0.000 0.982 687 V HN 0.804 nan 8.190 nan 0.000 0.443 688 T N 5.251 119.597 114.554 -0.347 0.000 2.749 688 T HA 0.619 4.969 4.350 0.001 0.000 0.287 688 T C -0.804 173.754 174.700 -0.238 0.000 0.970 688 T CA 0.002 61.991 62.100 -0.184 0.000 0.980 688 T CB 0.259 69.068 68.868 -0.099 0.000 0.924 688 T HN 0.444 nan 8.240 nan 0.000 0.456 689 Y N 1.115 121.410 120.300 -0.008 0.000 2.602 689 Y HA 0.585 5.135 4.550 0.001 0.000 0.330 689 Y C 0.658 176.554 175.900 -0.007 0.000 1.114 689 Y CA -1.391 56.708 58.100 -0.002 0.000 1.182 689 Y CB 1.355 39.820 38.460 0.009 0.000 1.305 689 Y HN 0.511 nan 8.280 nan 0.000 0.502 690 E N 1.423 121.732 120.200 0.182 0.000 2.373 690 E HA 0.195 4.546 4.350 0.001 0.000 0.251 690 E C -1.653 174.977 176.600 0.050 0.000 0.923 690 E CA -0.727 55.721 56.400 0.080 0.000 0.798 690 E CB 0.578 30.302 29.700 0.040 0.000 1.303 690 E HN 0.574 nan 8.360 nan 0.000 0.412 691 D N 3.015 123.430 120.400 0.026 0.000 2.506 691 D HA 0.095 4.735 4.640 0.001 0.000 0.234 691 D C -0.136 176.118 176.300 -0.077 0.000 1.143 691 D CA 0.782 54.770 54.000 -0.022 0.000 0.871 691 D CB 0.702 41.489 40.800 -0.022 0.000 1.190 691 D HN 0.405 nan 8.370 nan 0.000 0.459 692 L N 2.637 123.761 121.223 -0.165 0.000 2.341 692 L HA 0.389 4.729 4.340 0.001 0.000 0.267 692 L C -2.228 174.530 176.870 -0.186 0.000 1.009 692 L CA -2.135 52.531 54.840 -0.291 0.000 0.819 692 L CB 1.984 43.610 42.059 -0.723 0.000 1.323 692 L HN 0.106 nan 8.230 nan 0.000 0.425 693 P HA 0.074 nan 4.420 nan 0.000 0.262 693 P C -1.123 176.271 177.300 0.157 0.000 1.182 693 P CA 0.127 63.237 63.100 0.017 0.000 0.761 693 P CB 0.621 32.329 31.700 0.013 0.000 0.795 694 A N 3.985 126.875 122.820 0.117 0.000 2.340 694 A HA 0.713 5.033 4.320 0.001 0.000 0.331 694 A C -0.544 177.057 177.584 0.029 0.000 1.140 694 A CA -0.734 51.379 52.037 0.128 0.000 0.801 694 A CB 0.801 19.860 19.000 0.098 0.000 1.234 694 A HN 0.479 nan 8.150 nan 0.000 0.469 695 I N 3.556 124.113 120.570 -0.021 0.000 2.390 695 I HA 0.219 4.390 4.170 0.001 0.000 0.283 695 I C -0.036 176.032 176.117 -0.081 0.000 1.016 695 I CA -0.372 60.888 61.300 -0.068 0.000 1.151 695 I CB 1.230 39.162 38.000 -0.114 0.000 1.293 695 I HN 0.578 nan 8.210 nan 0.000 0.458 696 I N 2.784 123.311 120.570 -0.072 0.000 2.900 696 I HA 0.027 4.198 4.170 0.001 0.000 0.251 696 I C 1.591 177.649 176.117 -0.099 0.000 1.102 696 I CA 1.029 62.278 61.300 -0.085 0.000 1.457 696 I CB -0.665 37.294 38.000 -0.068 0.000 1.285 696 I HN 0.513 nan 8.210 nan 0.000 0.459 697 T N -0.933 113.572 114.554 -0.081 0.000 2.847 697 T HA 0.441 4.792 4.350 0.001 0.000 0.279 697 T C 1.433 176.100 174.700 -0.054 0.000 0.984 697 T CA -0.429 61.632 62.100 -0.065 0.000 0.988 697 T CB 1.661 70.495 68.868 -0.056 0.000 1.040 697 T HN 0.065 nan 8.240 nan 0.000 0.528 698 I N 0.550 121.113 120.570 -0.012 0.000 2.226 698 I HA -0.131 4.039 4.170 0.001 0.000 0.245 698 I C 2.547 178.629 176.117 -0.059 0.000 1.100 698 I CA 1.347 62.648 61.300 0.002 0.000 1.374 698 I CB -0.386 37.661 38.000 0.079 0.000 1.057 698 I HN 0.681 nan 8.210 nan 0.000 0.413 699 E N 0.889 121.050 120.200 -0.064 0.000 2.077 699 E HA -0.217 4.133 4.350 0.001 0.000 0.193 699 E C 1.772 178.319 176.600 -0.089 0.000 0.989 699 E CA 1.235 57.584 56.400 -0.084 0.000 0.800 699 E CB -0.350 29.309 29.700 -0.068 0.000 0.746 699 E HN 0.403 nan 8.360 nan 0.000 0.452 700 D N 0.101 120.449 120.400 -0.086 0.000 2.097 700 D HA -0.120 4.520 4.640 0.001 0.000 0.195 700 D C 1.853 178.068 176.300 -0.141 0.000 0.989 700 D CA 1.573 55.517 54.000 -0.095 0.000 0.827 700 D CB -0.382 40.367 40.800 -0.084 0.000 0.966 700 D HN 0.206 nan 8.370 nan 0.000 0.456 701 A N 0.918 123.633 122.820 -0.176 0.000 1.883 701 A HA -0.161 4.159 4.320 0.001 0.000 0.217 701 A C 2.421 179.762 177.584 -0.405 0.000 1.186 701 A CA 1.058 52.909 52.037 -0.311 0.000 0.624 701 A CB -0.799 18.022 19.000 -0.298 0.000 0.822 701 A HN 0.198 nan 8.150 nan 0.000 0.444 702 I N -0.618 119.827 120.570 -0.209 0.000 2.179 702 I HA -0.280 3.891 4.170 0.001 0.000 0.242 702 I C 2.571 178.653 176.117 -0.059 0.000 1.088 702 I CA 1.938 63.212 61.300 -0.043 0.000 1.357 702 I CB -0.283 37.690 38.000 -0.045 0.000 1.051 702 I HN 0.381 nan 8.210 nan 0.000 0.409 703 K N 1.147 121.495 120.400 -0.086 0.000 2.097 703 K HA -0.178 4.143 4.320 0.001 0.000 0.206 703 K C 1.223 177.779 176.600 -0.074 0.000 1.049 703 K CA 1.855 58.105 56.287 -0.062 0.000 0.933 703 K CB -0.021 32.443 32.500 -0.060 0.000 0.717 703 K HN 0.305 nan 8.250 nan 0.000 0.442 704 N N 0.577 119.199 118.700 -0.130 0.000 2.280 704 N HA -0.021 4.719 4.740 0.001 0.000 0.192 704 N C -0.642 174.760 175.510 -0.180 0.000 1.109 704 N CA 0.154 53.125 53.050 -0.132 0.000 0.855 704 N CB 0.405 38.811 38.487 -0.135 0.000 0.974 704 N HN 0.233 nan 8.380 nan 0.000 0.482 705 N N 0.452 119.007 118.700 -0.242 0.000 2.738 705 N HA -0.197 4.544 4.740 0.001 0.000 0.249 705 N C -1.340 173.854 175.510 -0.527 0.000 1.047 705 N CA 0.681 53.570 53.050 -0.269 0.000 0.707 705 N CB -1.329 37.169 38.487 0.018 0.000 0.937 705 N HN 0.249 nan 8.380 nan 0.000 0.545 706 S N 0.438 115.614 115.700 -0.873 0.000 2.488 706 S HA 0.700 5.171 4.470 0.001 0.000 0.310 706 S C -0.245 173.826 174.600 -0.881 0.000 1.093 706 S CA -0.714 57.087 58.200 -0.664 0.000 1.129 706 S CB 0.041 62.975 63.200 -0.444 0.000 0.989 706 S HN 0.281 nan 8.310 nan 0.000 0.479 707 F N 0.514 120.354 119.950 -0.183 0.000 2.640 707 F HA 0.517 5.045 4.527 0.001 0.000 0.324 707 F C -0.532 175.124 175.800 -0.240 0.000 1.077 707 F CA -1.568 56.318 58.000 -0.189 0.000 0.965 707 F CB 1.331 40.301 39.000 -0.049 0.000 1.351 707 F HN 0.384 nan 8.300 nan 0.000 0.487 708 Y N 0.913 121.329 120.300 0.194 0.000 2.353 708 Y HA 0.510 5.061 4.550 0.001 0.000 0.340 708 Y C 0.747 176.675 175.900 0.047 0.000 0.972 708 Y CA -0.234 57.907 58.100 0.069 0.000 1.157 708 Y CB 1.116 39.587 38.460 0.019 0.000 1.157 708 Y HN 0.893 nan 8.280 nan 0.000 0.495 709 G N 2.025 110.921 108.800 0.160 0.000 2.697 709 G HA2 -0.195 3.766 3.960 0.001 0.000 0.240 709 G HA3 -0.195 3.766 3.960 0.001 0.000 0.240 709 G C -0.299 174.632 174.900 0.050 0.000 1.346 709 G CA -0.346 44.791 45.100 0.061 0.000 0.887 709 G HN 0.920 nan 8.290 nan 0.000 0.569 710 S N -0.997 114.707 115.700 0.008 0.000 2.722 710 S HA 0.656 5.126 4.470 0.001 0.000 0.292 710 S C 0.239 174.801 174.600 -0.064 0.000 1.135 710 S CA 0.323 58.505 58.200 -0.028 0.000 1.003 710 S CB 1.922 65.109 63.200 -0.022 0.000 1.067 710 S HN 1.098 nan 8.310 nan 0.000 0.546 711 E N -0.013 120.117 120.200 -0.116 0.000 2.502 711 E HA 0.093 4.444 4.350 0.001 0.000 0.261 711 E C -1.039 175.491 176.600 -0.117 0.000 0.974 711 E CA -0.033 56.276 56.400 -0.151 0.000 0.936 711 E CB 0.267 29.877 29.700 -0.149 0.000 0.926 711 E HN 0.514 nan 8.360 nan 0.000 0.459 712 L N 4.438 125.560 121.223 -0.169 0.000 2.322 712 L HA 0.481 4.821 4.340 0.001 0.000 0.279 712 L C -0.029 176.783 176.870 -0.096 0.000 1.036 712 L CA -0.349 54.363 54.840 -0.214 0.000 0.807 712 L CB 1.315 43.114 42.059 -0.432 0.000 1.226 712 L HN 0.545 nan 8.230 nan 0.000 0.433 713 K N 3.494 123.912 120.400 0.029 0.000 2.557 713 K HA 0.588 4.909 4.320 0.001 0.000 0.261 713 K C -1.871 174.878 176.600 0.250 0.000 0.932 713 K CA -0.545 55.813 56.287 0.118 0.000 0.829 713 K CB 2.030 34.573 32.500 0.072 0.000 1.358 713 K HN 0.491 nan 8.250 nan 0.000 0.430 714 I N 2.720 123.425 120.570 0.226 0.000 2.478 714 I HA 0.330 4.500 4.170 0.001 0.000 0.287 714 I C -1.024 175.209 176.117 0.193 0.000 1.042 714 I CA -0.602 60.838 61.300 0.232 0.000 1.067 714 I CB 2.107 40.260 38.000 0.255 0.000 1.233 714 I HN 0.654 nan 8.210 nan 0.000 0.431 715 E N 6.825 127.118 120.200 0.154 0.000 2.292 715 E HA 0.521 4.872 4.350 0.001 0.000 0.272 715 E C -1.521 175.140 176.600 0.101 0.000 0.881 715 E CA -0.807 55.664 56.400 0.119 0.000 0.754 715 E CB 2.624 32.377 29.700 0.088 0.000 1.201 715 E HN 0.511 nan 8.360 nan 0.000 0.425 716 K N 2.914 123.366 120.400 0.087 0.000 2.498 716 K HA 0.638 4.959 4.320 0.001 0.000 0.254 716 K C -0.307 176.308 176.600 0.025 0.000 0.933 716 K CA 0.157 56.481 56.287 0.062 0.000 0.806 716 K CB 1.695 34.247 32.500 0.086 0.000 1.301 716 K HN 0.751 nan 8.250 nan 0.000 0.432 717 G N 2.121 110.926 108.800 0.008 0.000 2.632 717 G HA2 -0.215 3.745 3.960 0.001 0.000 0.224 717 G HA3 -0.215 3.745 3.960 0.001 0.000 0.224 717 G C -1.309 173.580 174.900 -0.019 0.000 1.341 717 G CA 0.027 45.117 45.100 -0.016 0.000 0.880 717 G HN 0.679 nan 8.290 nan 0.000 0.566 718 D N 0.054 120.430 120.400 -0.039 0.000 2.446 718 D HA 0.514 5.155 4.640 0.001 0.000 0.251 718 D C 1.433 177.696 176.300 -0.061 0.000 1.137 718 D CA -0.651 53.330 54.000 -0.032 0.000 0.890 718 D CB 1.042 41.826 40.800 -0.026 0.000 1.071 718 D HN 0.273 nan 8.370 nan 0.000 0.528 719 L N 3.869 125.065 121.223 -0.044 0.000 1.970 719 L HA -0.121 4.220 4.340 0.001 0.000 0.212 719 L C 2.295 179.179 176.870 0.023 0.000 1.071 719 L CA 1.551 56.349 54.840 -0.070 0.000 0.751 719 L CB -0.489 41.607 42.059 0.062 0.000 0.889 719 L HN 0.385 nan 8.230 nan 0.000 0.432 720 K N 0.149 120.609 120.400 0.100 0.000 2.089 720 K HA -0.277 4.043 4.320 0.001 0.000 0.210 720 K C 2.213 178.862 176.600 0.081 0.000 1.048 720 K CA 2.039 58.402 56.287 0.126 0.000 0.926 720 K CB -0.276 32.266 32.500 0.070 0.000 0.714 720 K HN 0.383 nan 8.250 nan 0.000 0.448 721 K N -0.572 119.837 120.400 0.016 0.000 2.025 721 K HA -0.098 4.222 4.320 0.001 0.000 0.207 721 K C 2.112 178.685 176.600 -0.046 0.000 1.049 721 K CA 1.560 57.840 56.287 -0.011 0.000 0.933 721 K CB -0.514 31.970 32.500 -0.026 0.000 0.714 721 K HN 0.223 nan 8.250 nan 0.000 0.438 722 G N 0.803 109.528 108.800 -0.126 0.000 2.491 722 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 722 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 722 G C 1.348 176.116 174.900 -0.219 0.000 1.180 722 G CA 1.035 45.995 45.100 -0.233 0.000 0.774 722 G HN 0.348 nan 8.290 nan 0.000 0.562 723 F N 0.852 120.772 119.950 -0.050 0.000 2.333 723 F HA -0.029 4.499 4.527 0.001 0.000 0.300 723 F C 3.034 178.797 175.800 -0.062 0.000 1.083 723 F CA 0.994 58.958 58.000 -0.060 0.000 1.395 723 F CB 0.044 39.011 39.000 -0.054 0.000 1.056 723 F HN 0.248 nan 8.300 nan 0.000 0.529 724 S N 0.116 115.878 115.700 0.103 0.000 2.406 724 S HA -0.145 4.326 4.470 0.001 0.000 0.228 724 S C 1.735 176.338 174.600 0.005 0.000 1.020 724 S CA 1.237 59.463 58.200 0.044 0.000 0.965 724 S CB -0.211 63.005 63.200 0.028 0.000 0.798 724 S HN 0.473 nan 8.310 nan 0.000 0.488 725 E N 1.019 121.209 120.200 -0.016 0.000 2.371 725 E HA 0.245 4.595 4.350 0.001 0.000 0.194 725 E C 0.703 177.277 176.600 -0.045 0.000 1.012 725 E CA 0.238 56.618 56.400 -0.033 0.000 0.860 725 E CB -0.013 29.660 29.700 -0.046 0.000 0.811 725 E HN 0.550 nan 8.360 nan 0.000 0.502 726 A N 1.831 124.624 122.820 -0.046 0.000 2.488 726 A HA -0.025 4.295 4.320 0.001 0.000 0.249 726 A C 0.493 178.008 177.584 -0.115 0.000 1.083 726 A CA -0.209 51.779 52.037 -0.082 0.000 0.768 726 A CB 0.318 19.282 19.000 -0.061 0.000 1.017 726 A HN -0.011 nan 8.150 nan 0.000 0.496 727 D N 0.972 121.275 120.400 -0.162 0.000 2.162 727 D HA -0.025 4.615 4.640 0.001 0.000 0.203 727 D C 0.026 176.178 176.300 -0.246 0.000 0.967 727 D CA 1.259 55.164 54.000 -0.160 0.000 0.840 727 D CB 0.145 40.870 40.800 -0.125 0.000 0.972 727 D HN 0.616 nan 8.370 nan 0.000 0.482 728 N N -0.217 118.194 118.700 -0.483 0.000 2.262 728 N HA 0.384 5.125 4.740 0.001 0.000 0.295 728 N C -1.048 174.069 175.510 -0.655 0.000 1.161 728 N CA -0.465 52.212 53.050 -0.622 0.000 0.767 728 N CB 3.204 41.146 38.487 -0.908 0.000 1.499 728 N HN -0.269 nan 8.380 nan 0.000 0.476 729 V N 1.126 120.856 119.914 -0.306 0.000 2.638 729 V HA 0.475 4.596 4.120 0.001 0.000 0.306 729 V C -0.577 175.551 176.094 0.056 0.000 1.052 729 V CA -0.708 61.545 62.300 -0.078 0.000 0.885 729 V CB 2.218 34.005 31.823 -0.060 0.000 0.999 729 V HN 0.372 nan 8.190 nan 0.000 0.424 730 V N 3.983 124.030 119.914 0.221 0.000 2.531 730 V HA 0.768 4.888 4.120 0.001 0.000 0.301 730 V C -0.139 176.025 176.094 0.117 0.000 1.034 730 V CA -0.312 62.118 62.300 0.218 0.000 0.865 730 V CB 2.273 34.321 31.823 0.375 0.000 0.995 730 V HN 1.022 nan 8.190 nan 0.000 0.424 731 S N 2.936 118.616 115.700 -0.034 0.000 2.570 731 S HA 1.028 5.499 4.470 0.001 0.000 0.286 731 S C -0.278 174.069 174.600 -0.422 0.000 1.099 731 S CA -0.096 57.951 58.200 -0.255 0.000 0.913 731 S CB 2.456 65.531 63.200 -0.209 0.000 1.085 731 S HN 1.449 nan 8.310 nan 0.000 0.480 732 G N 0.148 108.399 108.800 -0.916 0.000 2.428 732 G HA2 0.527 4.488 3.960 0.001 0.000 0.304 732 G HA3 0.527 4.488 3.960 0.001 0.000 0.304 732 G C -2.109 172.438 174.900 -0.589 0.000 1.303 732 G CA -0.676 44.038 45.100 -0.643 0.000 0.825 732 G HN 0.921 nan 8.290 nan 0.000 0.484 733 E N -1.198 118.957 120.200 -0.074 0.000 2.343 733 E HA 0.721 5.072 4.350 0.001 0.000 0.270 733 E C -1.949 174.858 176.600 0.346 0.000 0.895 733 E CA -0.769 55.722 56.400 0.151 0.000 0.767 733 E CB 2.542 32.302 29.700 0.101 0.000 1.248 733 E HN 0.527 nan 8.360 nan 0.000 0.440 734 L N 3.516 124.974 121.223 0.392 0.000 2.466 734 L HA 0.539 4.879 4.340 0.001 0.000 0.258 734 L C -2.149 174.981 176.870 0.433 0.000 0.973 734 L CA -0.600 54.473 54.840 0.388 0.000 0.826 734 L CB 1.936 44.184 42.059 0.315 0.000 1.372 734 L HN 0.673 nan 8.230 nan 0.000 0.409 735 Y N 4.509 124.991 120.300 0.303 0.000 2.477 735 Y HA 0.733 5.283 4.550 0.001 0.000 0.347 735 Y C -1.461 174.614 175.900 0.291 0.000 0.981 735 Y CA -0.862 57.406 58.100 0.281 0.000 1.033 735 Y CB 1.765 40.348 38.460 0.204 0.000 1.245 735 Y HN 0.627 nan 8.280 nan 0.000 0.455 736 I N 5.694 125.997 120.570 -0.444 0.000 2.468 736 I HA 0.618 4.789 4.170 0.001 0.000 0.285 736 I C 0.116 175.843 176.117 -0.650 0.000 1.039 736 I CA -0.516 60.559 61.300 -0.375 0.000 1.074 736 I CB 0.927 38.795 38.000 -0.221 0.000 1.228 736 I HN 0.857 nan 8.210 nan 0.000 0.436 737 G N 4.422 113.017 108.800 -0.341 0.000 2.699 737 G HA2 0.403 4.363 3.960 0.001 0.000 0.246 737 G HA3 0.403 4.363 3.960 0.001 0.000 0.246 737 G C 0.439 175.263 174.900 -0.127 0.000 1.219 737 G CA 0.112 45.143 45.100 -0.114 0.000 0.866 737 G HN 0.826 nan 8.290 nan 0.000 0.572 738 G N -1.557 107.239 108.800 -0.007 0.000 2.485 738 G HA2 0.489 4.449 3.960 0.001 0.000 0.260 738 G HA3 0.489 4.449 3.960 0.001 0.000 0.260 738 G C -0.169 174.689 174.900 -0.070 0.000 1.459 738 G CA -0.048 45.039 45.100 -0.022 0.000 1.060 738 G HN 0.775 nan 8.290 nan 0.000 0.546 739 Q N -1.416 118.356 119.800 -0.047 0.000 2.468 739 Q HA 0.162 4.502 4.340 0.001 0.000 0.263 739 Q C -2.321 173.740 176.000 0.102 0.000 0.979 739 Q CA -0.643 55.151 55.803 -0.014 0.000 0.932 739 Q CB 2.136 30.633 28.738 -0.402 0.000 1.462 739 Q HN 0.614 nan 8.270 nan 0.000 0.403 740 D N 1.458 121.909 120.400 0.085 0.000 2.198 740 D HA 0.147 4.788 4.640 0.001 0.000 0.245 740 D C 0.353 176.709 176.300 0.095 0.000 1.079 740 D CA -0.021 53.927 54.000 -0.088 0.000 0.854 740 D CB 0.894 41.387 40.800 -0.512 0.000 1.148 740 D HN 0.723 nan 8.370 nan 0.000 0.456 741 H N 3.302 122.297 119.070 -0.126 0.000 2.353 741 H HA -0.129 4.427 4.556 0.001 0.000 0.298 741 H C 0.614 175.719 175.328 -0.371 0.000 1.103 741 H CA 1.114 56.810 56.048 -0.586 0.000 1.293 741 H CB -0.295 28.997 29.762 -0.783 0.000 1.372 741 H HN 0.527 nan 8.280 nan 0.000 0.501 742 F N 0.351 120.017 119.950 -0.474 0.000 2.943 742 F HA -0.272 4.255 4.527 0.001 0.000 0.258 742 F C -0.779 174.904 175.800 -0.196 0.000 0.995 742 F CA -0.570 57.259 58.000 -0.285 0.000 0.896 742 F CB -1.638 37.364 39.000 0.004 0.000 0.821 742 F HN 0.124 nan 8.300 nan 0.000 0.828 743 Y N -0.070 120.312 120.300 0.136 0.000 2.497 743 Y HA 0.214 4.764 4.550 0.001 0.000 0.334 743 Y C 1.109 177.006 175.900 -0.005 0.000 1.199 743 Y CA -1.403 56.820 58.100 0.205 0.000 1.425 743 Y CB 0.068 38.557 38.460 0.047 0.000 1.291 743 Y HN 0.098 nan 8.280 nan 0.000 0.562 744 L N 0.985 122.359 121.223 0.251 0.000 2.131 744 L HA -0.108 4.233 4.340 0.001 0.000 0.210 744 L C 1.011 177.833 176.870 -0.081 0.000 1.092 744 L CA 1.530 56.491 54.840 0.202 0.000 0.759 744 L CB -0.613 41.678 42.059 0.385 0.000 0.903 744 L HN 0.876 nan 8.230 nan 0.000 0.435 745 E N 0.577 120.446 120.200 -0.551 0.000 2.146 745 E HA 0.179 4.529 4.350 0.001 0.000 0.282 745 E C -0.075 176.249 176.600 -0.461 0.000 0.989 745 E CA -0.326 55.445 56.400 -1.049 0.000 0.799 745 E CB 1.110 29.869 29.700 -1.569 0.000 1.088 745 E HN 0.227 nan 8.360 nan 0.000 0.397 746 T N 1.498 115.893 114.554 -0.265 0.000 2.698 746 T HA 0.117 4.467 4.350 0.001 0.000 0.295 746 T C 0.636 175.134 174.700 -0.336 0.000 1.007 746 T CA -0.568 61.433 62.100 -0.164 0.000 0.980 746 T CB 0.352 69.241 68.868 0.035 0.000 1.036 746 T HN 0.454 nan 8.240 nan 0.000 0.526 747 H N -1.013 117.918 119.070 -0.232 0.000 2.897 747 H HA 0.332 4.888 4.556 0.001 0.000 0.347 747 H C -0.054 175.218 175.328 -0.095 0.000 1.068 747 H CA 0.142 56.070 56.048 -0.200 0.000 1.426 747 H CB 0.527 30.221 29.762 -0.114 0.000 1.410 747 H HN 0.700 nan 8.280 nan 0.000 0.597 748 C N 2.782 122.098 119.300 0.026 0.000 3.006 748 C HA 0.408 4.868 4.460 0.001 0.000 0.359 748 C C -0.720 174.305 174.990 0.059 0.000 1.103 748 C CA -0.195 58.852 59.018 0.047 0.000 1.286 748 C CB 1.299 29.053 27.740 0.024 0.000 1.694 748 C HN 0.887 nan 8.230 nan 0.000 0.511 749 T N 5.475 120.076 114.554 0.079 0.000 2.956 749 T HA 0.598 4.948 4.350 0.001 0.000 0.312 749 T C -1.213 173.547 174.700 0.100 0.000 1.151 749 T CA -0.234 61.917 62.100 0.085 0.000 1.024 749 T CB 1.194 70.103 68.868 0.068 0.000 1.140 749 T HN 0.580 nan 8.240 nan 0.000 0.473 750 I N 2.317 122.974 120.570 0.145 0.000 2.436 750 I HA 0.686 4.856 4.170 0.001 0.000 0.289 750 I C -0.202 176.028 176.117 0.188 0.000 1.010 750 I CA -0.964 60.436 61.300 0.167 0.000 1.098 750 I CB 1.683 39.820 38.000 0.230 0.000 1.266 750 I HN 0.701 nan 8.210 nan 0.000 0.434 751 A N 7.882 130.781 122.820 0.130 0.000 2.304 751 A HA 0.755 5.075 4.320 0.001 0.000 0.314 751 A C -0.748 176.901 177.584 0.108 0.000 1.187 751 A CA -0.459 51.637 52.037 0.098 0.000 0.810 751 A CB 0.763 19.801 19.000 0.062 0.000 1.183 751 A HN 0.517 nan 8.150 nan 0.000 0.487 752 I N 4.878 125.512 120.570 0.107 0.000 2.330 752 I HA 0.313 4.484 4.170 0.001 0.000 0.286 752 I C -2.426 173.704 176.117 0.021 0.000 1.025 752 I CA -2.566 58.782 61.300 0.080 0.000 1.197 752 I CB 1.085 39.174 38.000 0.148 0.000 1.358 752 I HN 0.381 nan 8.210 nan 0.000 0.467 753 P HA 0.252 nan 4.420 nan 0.000 0.286 753 P C 0.042 177.322 177.300 -0.034 0.000 1.269 753 P CA -0.469 62.633 63.100 0.003 0.000 0.787 753 P CB 1.746 33.456 31.700 0.017 0.000 0.920 754 K N 2.336 122.722 120.400 -0.024 0.000 2.186 754 K HA 0.100 4.420 4.320 0.001 0.000 0.202 754 K C 1.546 178.121 176.600 -0.042 0.000 1.052 754 K CA 1.103 57.366 56.287 -0.039 0.000 0.965 754 K CB -0.843 31.642 32.500 -0.024 0.000 0.746 754 K HN 0.829 nan 8.250 nan 0.000 0.457 755 G N 1.476 110.261 108.800 -0.026 0.000 2.175 755 G HA2 -0.234 3.727 3.960 0.001 0.000 0.244 755 G HA3 -0.234 3.727 3.960 0.001 0.000 0.244 755 G C -0.337 174.553 174.900 -0.016 0.000 0.982 755 G CA 0.012 45.094 45.100 -0.029 0.000 0.641 755 G HN 0.351 nan 8.290 nan 0.000 0.527 756 E N 0.470 120.665 120.200 -0.009 0.000 2.199 756 E HA 0.471 4.822 4.350 0.001 0.000 0.265 756 E C 0.173 176.775 176.600 0.004 0.000 0.882 756 E CA -0.862 55.535 56.400 -0.005 0.000 0.759 756 E CB 0.992 30.686 29.700 -0.010 0.000 1.148 756 E HN 0.158 nan 8.360 nan 0.000 0.412 757 E N 1.383 121.588 120.200 0.008 0.000 2.494 757 E HA -0.294 4.057 4.350 0.001 0.000 0.249 757 E C 0.710 177.321 176.600 0.017 0.000 1.184 757 E CA 1.202 57.608 56.400 0.010 0.000 0.727 757 E CB -1.428 28.274 29.700 0.002 0.000 1.281 757 E HN 1.129 nan 8.360 nan 0.000 0.405 758 G N 0.075 108.896 108.800 0.035 0.000 2.168 758 G HA2 -0.380 3.581 3.960 0.001 0.000 0.263 758 G HA3 -0.380 3.581 3.960 0.001 0.000 0.263 758 G C 0.149 175.068 174.900 0.031 0.000 0.977 758 G CA 0.692 45.822 45.100 0.051 0.000 0.659 758 G HN 0.421 nan 8.290 nan 0.000 0.533 759 E N -0.401 119.809 120.200 0.016 0.000 2.413 759 E HA 0.440 4.791 4.350 0.001 0.000 0.263 759 E C 0.375 176.977 176.600 0.005 0.000 1.015 759 E CA 0.473 56.874 56.400 0.002 0.000 0.916 759 E CB 0.482 30.179 29.700 -0.006 0.000 0.947 759 E HN 0.451 nan 8.360 nan 0.000 0.440 760 M N 2.685 122.280 119.600 -0.008 0.000 2.371 760 M HA 0.206 4.686 4.480 0.001 0.000 0.287 760 M C -1.686 174.588 176.300 -0.043 0.000 1.149 760 M CA -0.397 54.897 55.300 -0.011 0.000 0.929 760 M CB 2.052 34.654 32.600 0.005 0.000 1.683 760 M HN 0.419 nan 8.290 nan 0.000 0.470 761 E N 4.186 124.352 120.200 -0.056 0.000 2.165 761 E HA 0.615 4.965 4.350 0.001 0.000 0.266 761 E C -2.059 174.422 176.600 -0.198 0.000 0.889 761 E CA -0.632 55.681 56.400 -0.144 0.000 0.756 761 E CB 1.404 31.027 29.700 -0.128 0.000 1.131 761 E HN 0.586 nan 8.360 nan 0.000 0.411 762 L N 4.210 125.256 121.223 -0.295 0.000 2.362 762 L HA 0.499 4.839 4.340 0.001 0.000 0.271 762 L C -1.009 175.590 176.870 -0.452 0.000 1.002 762 L CA -0.478 54.217 54.840 -0.242 0.000 0.818 762 L CB 1.236 43.240 42.059 -0.093 0.000 1.298 762 L HN 0.507 nan 8.230 nan 0.000 0.420 763 F N 2.235 122.192 119.950 0.012 0.000 2.388 763 F HA 0.711 5.239 4.527 0.001 0.000 0.358 763 F C -0.097 175.702 175.800 -0.002 0.000 1.122 763 F CA -0.815 57.187 58.000 0.003 0.000 1.056 763 F CB 1.575 40.581 39.000 0.009 0.000 1.155 763 F HN 0.032 nan 8.300 nan 0.000 0.461 764 V N 1.470 121.436 119.914 0.087 0.000 2.841 764 V HA 0.358 4.479 4.120 0.001 0.000 0.310 764 V C -0.361 175.737 176.094 0.007 0.000 1.090 764 V CA -1.040 61.284 62.300 0.040 0.000 0.930 764 V CB 2.152 33.973 31.823 -0.004 0.000 1.014 764 V HN 0.650 nan 8.190 nan 0.000 0.425 765 S N 2.573 118.259 115.700 -0.024 0.000 2.955 765 S HA 0.514 4.984 4.470 0.001 0.000 0.294 765 S C -0.186 174.333 174.600 -0.134 0.000 1.198 765 S CA 0.008 58.151 58.200 -0.095 0.000 1.008 765 S CB -0.340 62.763 63.200 -0.162 0.000 1.279 765 S HN 1.000 nan 8.310 nan 0.000 0.508 766 T N 3.068 117.558 114.554 -0.106 0.000 2.889 766 T HA 0.348 4.698 4.350 0.001 0.000 0.315 766 T C 0.124 174.768 174.700 -0.094 0.000 1.291 766 T CA -0.535 61.503 62.100 -0.103 0.000 1.028 766 T CB 1.636 70.464 68.868 -0.066 0.000 1.235 766 T HN 0.515 nan 8.240 nan 0.000 0.491 767 Q N 1.591 121.340 119.800 -0.084 0.000 2.360 767 Q HA 0.271 4.611 4.340 0.001 0.000 0.202 767 Q C 0.177 176.162 176.000 -0.026 0.000 0.915 767 Q CA -0.013 55.758 55.803 -0.054 0.000 0.943 767 Q CB 0.337 29.052 28.738 -0.038 0.000 1.064 767 Q HN 0.320 nan 8.270 nan 0.000 0.511 768 N N 0.066 118.737 118.700 -0.048 0.000 2.790 768 N HA 0.279 5.020 4.740 0.001 0.000 0.256 768 N C -0.321 175.134 175.510 -0.092 0.000 1.409 768 N CA -0.047 52.966 53.050 -0.061 0.000 0.799 768 N CB 1.102 39.539 38.487 -0.084 0.000 1.170 768 N HN 0.115 nan 8.380 nan 0.000 0.507 769 A N 2.838 125.614 122.820 -0.072 0.000 1.969 769 A HA -0.125 4.195 4.320 0.001 0.000 0.218 769 A C 2.114 179.645 177.584 -0.088 0.000 1.169 769 A CA 0.919 52.908 52.037 -0.080 0.000 0.635 769 A CB -0.245 18.713 19.000 -0.070 0.000 0.810 769 A HN 0.663 nan 8.150 nan 0.000 0.445 770 M N -0.907 118.646 119.600 -0.078 0.000 2.086 770 M HA -0.153 4.327 4.480 0.001 0.000 0.261 770 M C 1.760 177.984 176.300 -0.127 0.000 1.067 770 M CA 1.771 57.026 55.300 -0.077 0.000 1.116 770 M CB -0.121 32.449 32.600 -0.050 0.000 1.348 770 M HN 0.127 nan 8.290 nan 0.000 0.407 771 K N -0.300 119.970 120.400 -0.218 0.000 2.155 771 K HA -0.029 4.291 4.320 0.001 0.000 0.203 771 K C 1.896 178.204 176.600 -0.487 0.000 1.052 771 K CA 1.663 57.680 56.287 -0.449 0.000 0.948 771 K CB -0.812 31.293 32.500 -0.658 0.000 0.728 771 K HN 0.421 nan 8.250 nan 0.000 0.448 772 T N 1.755 116.133 114.554 -0.293 0.000 2.708 772 T HA -0.197 4.153 4.350 0.001 0.000 0.266 772 T C 1.923 176.578 174.700 -0.074 0.000 1.037 772 T CA 1.538 63.537 62.100 -0.169 0.000 1.146 772 T CB -0.071 68.731 68.868 -0.110 0.000 0.865 772 T HN 0.368 nan 8.240 nan 0.000 0.435 773 Q N 0.887 120.643 119.800 -0.074 0.000 2.050 773 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 773 Q C 2.500 178.504 176.000 0.005 0.000 0.980 773 Q CA 2.110 57.891 55.803 -0.038 0.000 0.840 773 Q CB -0.203 28.506 28.738 -0.048 0.000 0.898 773 Q HN 0.653 nan 8.270 nan 0.000 0.424 774 S N -0.514 115.202 115.700 0.025 0.000 2.383 774 S HA -0.098 4.372 4.470 0.001 0.000 0.227 774 S C 1.761 176.494 174.600 0.222 0.000 1.026 774 S CA 0.763 59.022 58.200 0.098 0.000 0.981 774 S CB -0.561 62.704 63.200 0.109 0.000 0.818 774 S HN 0.357 nan 8.310 nan 0.000 0.472 775 F N 2.031 121.946 119.950 -0.058 0.000 2.146 775 F HA 0.071 4.598 4.527 0.001 0.000 0.298 775 F C 2.632 178.386 175.800 -0.077 0.000 1.096 775 F CA -0.250 57.711 58.000 -0.065 0.000 1.275 775 F CB -1.151 37.814 39.000 -0.058 0.000 1.008 775 F HN 0.079 nan 8.300 nan 0.000 0.480 776 V N -0.131 119.859 119.914 0.127 0.000 2.307 776 V HA -0.273 3.847 4.120 0.001 0.000 0.245 776 V C 2.616 178.698 176.094 -0.021 0.000 1.045 776 V CA 1.715 64.029 62.300 0.023 0.000 1.024 776 V CB -1.345 30.481 31.823 0.005 0.000 0.651 776 V HN 0.321 nan 8.190 nan 0.000 0.449 777 A N -0.390 122.427 122.820 -0.006 0.000 1.933 777 A HA -0.266 4.054 4.320 0.001 0.000 0.218 777 A C 2.333 179.886 177.584 -0.053 0.000 1.175 777 A CA 2.181 54.199 52.037 -0.032 0.000 0.628 777 A CB -0.467 18.523 19.000 -0.017 0.000 0.814 777 A HN 0.531 nan 8.150 nan 0.000 0.444 778 K N -1.027 119.349 120.400 -0.041 0.000 2.057 778 K HA -0.127 4.194 4.320 0.001 0.000 0.207 778 K C 2.131 178.663 176.600 -0.113 0.000 1.049 778 K CA 1.559 57.799 56.287 -0.078 0.000 0.931 778 K CB -0.224 32.216 32.500 -0.101 0.000 0.714 778 K HN 0.432 nan 8.250 nan 0.000 0.440 779 M N 1.078 120.604 119.600 -0.124 0.000 2.159 779 M HA -0.123 4.357 4.480 0.001 0.000 0.263 779 M C 1.610 177.796 176.300 -0.191 0.000 1.063 779 M CA 1.562 56.767 55.300 -0.159 0.000 1.110 779 M CB -0.301 32.200 32.600 -0.163 0.000 1.374 779 M HN 0.226 nan 8.290 nan 0.000 0.411 780 L N -0.380 120.728 121.223 -0.191 0.000 2.341 780 L HA 0.107 4.447 4.340 0.001 0.000 0.214 780 L C 1.350 178.087 176.870 -0.222 0.000 1.115 780 L CA 0.618 55.292 54.840 -0.276 0.000 0.820 780 L CB -0.638 41.286 42.059 -0.226 0.000 0.944 780 L HN 0.602 nan 8.230 nan 0.000 0.452 781 G N 1.108 109.822 108.800 -0.143 0.000 2.212 781 G HA2 -0.199 3.761 3.960 0.001 0.000 0.255 781 G HA3 -0.199 3.761 3.960 0.001 0.000 0.255 781 G C -0.014 174.839 174.900 -0.078 0.000 1.062 781 G CA 0.225 45.263 45.100 -0.103 0.000 0.815 781 G HN 0.291 nan 8.290 nan 0.000 0.497 782 V N -3.861 116.011 119.914 -0.070 0.000 3.074 782 V HA 0.968 5.089 4.120 0.001 0.000 0.314 782 V C -2.252 173.820 176.094 -0.037 0.000 1.117 782 V CA -2.893 59.379 62.300 -0.047 0.000 1.014 782 V CB 1.908 33.706 31.823 -0.041 0.000 1.057 782 V HN 0.048 nan 8.190 nan 0.000 0.438 783 P HA 0.265 nan 4.420 nan 0.000 0.269 783 P C 0.967 178.253 177.300 -0.024 0.000 1.209 783 P CA -0.122 62.963 63.100 -0.025 0.000 0.776 783 P CB 0.953 32.640 31.700 -0.021 0.000 0.876 784 V N 1.700 121.600 119.914 -0.022 0.000 2.568 784 V HA -0.242 3.878 4.120 0.001 0.000 0.253 784 V C 1.847 177.928 176.094 -0.022 0.000 1.072 784 V CA 2.201 64.489 62.300 -0.020 0.000 1.084 784 V CB -1.353 30.459 31.823 -0.018 0.000 0.676 784 V HN 0.696 nan 8.190 nan 0.000 0.469 785 N N 0.528 119.215 118.700 -0.022 0.000 2.609 785 N HA -0.158 4.582 4.740 0.001 0.000 0.190 785 N C 1.491 176.989 175.510 -0.020 0.000 1.157 785 N CA 0.804 53.842 53.050 -0.021 0.000 0.918 785 N CB -0.349 38.127 38.487 -0.018 0.000 0.978 785 N HN 0.312 nan 8.380 nan 0.000 0.448 786 R N -0.177 120.310 120.500 -0.021 0.000 2.290 786 R HA 0.257 4.598 4.340 0.001 0.000 0.197 786 R C -0.073 176.213 176.300 -0.024 0.000 0.913 786 R CA -0.033 56.055 56.100 -0.019 0.000 1.040 786 R CB 0.381 30.672 30.300 -0.015 0.000 0.992 786 R HN 0.243 nan 8.270 nan 0.000 0.500 787 I N 1.883 122.435 120.570 -0.030 0.000 2.354 787 I HA 0.270 4.440 4.170 0.001 0.000 0.292 787 I C -0.310 175.775 176.117 -0.054 0.000 0.989 787 I CA -1.601 59.675 61.300 -0.039 0.000 1.188 787 I CB 1.374 39.353 38.000 -0.035 0.000 1.342 787 I HN -0.170 nan 8.210 nan 0.000 0.457 788 L N 8.211 129.389 121.223 -0.075 0.000 2.333 788 L HA 0.624 4.964 4.340 0.001 0.000 0.280 788 L C -0.839 175.942 176.870 -0.148 0.000 1.004 788 L CA -0.369 54.410 54.840 -0.101 0.000 0.820 788 L CB 1.712 43.708 42.059 -0.105 0.000 1.247 788 L HN 0.291 nan 8.230 nan 0.000 0.416 789 V N 5.918 125.749 119.914 -0.138 0.000 2.448 789 V HA 0.619 4.740 4.120 0.001 0.000 0.295 789 V C -0.165 175.828 176.094 -0.169 0.000 1.025 789 V CA -0.622 61.582 62.300 -0.160 0.000 0.859 789 V CB 1.686 33.444 31.823 -0.109 0.000 0.988 789 V HN 0.717 nan 8.190 nan 0.000 0.431 790 R N 3.246 123.607 120.500 -0.231 0.000 2.534 790 R HA 0.797 5.138 4.340 0.001 0.000 0.301 790 R C -1.556 174.704 176.300 -0.066 0.000 0.961 790 R CA -0.685 55.318 56.100 -0.163 0.000 0.871 790 R CB 2.467 32.630 30.300 -0.229 0.000 1.170 790 R HN 0.499 nan 8.270 nan 0.000 0.446 791 V N 3.608 123.503 119.914 -0.033 0.000 2.443 791 V HA 0.154 4.275 4.120 0.001 0.000 0.293 791 V C 0.453 176.552 176.094 0.009 0.000 1.021 791 V CA -0.688 61.608 62.300 -0.007 0.000 0.848 791 V CB 1.468 33.269 31.823 -0.038 0.000 0.998 791 V HN 0.706 nan 8.190 nan 0.000 0.424 792 K N 5.147 125.566 120.400 0.031 0.000 2.020 792 K HA 0.228 4.548 4.320 0.001 0.000 0.206 792 K C 0.720 177.322 176.600 0.002 0.000 1.038 792 K CA 1.267 57.561 56.287 0.012 0.000 0.947 792 K CB 0.272 32.772 32.500 0.000 0.000 0.744 792 K HN 0.801 nan 8.250 nan 0.000 0.442 793 R N -1.493 118.988 120.500 -0.033 0.000 2.712 793 R HA 0.436 4.777 4.340 0.001 0.000 0.272 793 R C -1.304 174.988 176.300 -0.013 0.000 1.032 793 R CA -0.836 55.239 56.100 -0.042 0.000 0.874 793 R CB 0.768 31.010 30.300 -0.096 0.000 1.256 793 R HN 0.017 nan 8.270 nan 0.000 0.468 794 M N 0.610 120.209 119.600 -0.001 0.000 2.465 794 M HA 0.408 4.888 4.480 0.001 0.000 0.316 794 M C 0.341 176.681 176.300 0.067 0.000 1.121 794 M CA -0.738 54.550 55.300 -0.020 0.000 0.934 794 M CB 2.517 35.022 32.600 -0.158 0.000 1.692 794 M HN 0.940 nan 8.290 nan 0.000 0.444 795 G N 1.605 110.395 108.800 -0.017 0.000 3.541 795 G HA2 0.517 4.478 3.960 0.001 0.000 0.253 795 G HA3 0.517 4.478 3.960 0.001 0.000 0.253 795 G C 0.278 175.099 174.900 -0.132 0.000 1.017 795 G CA 0.189 45.227 45.100 -0.103 0.000 1.832 795 G HN 1.089 nan 8.290 nan 0.000 0.649 796 G N -1.339 107.382 108.800 -0.132 0.000 2.697 796 G HA2 0.394 4.354 3.960 0.001 0.000 0.686 796 G HA3 0.394 4.354 3.960 0.001 0.000 0.686 796 G C 0.451 175.153 174.900 -0.331 0.000 1.179 796 G CA -0.323 44.630 45.100 -0.245 0.000 0.765 796 G HN 1.192 nan 8.290 nan 0.000 0.649 797 G N -0.612 107.832 108.800 -0.593 0.000 2.641 797 G HA2 0.538 4.499 3.960 0.001 0.000 0.211 797 G HA3 0.538 4.499 3.960 0.001 0.000 0.211 797 G C 0.872 175.708 174.900 -0.107 0.000 1.338 797 G CA 0.864 45.773 45.100 -0.317 0.000 0.572 797 G HN 1.721 nan 8.290 nan 0.000 1.023 798 F N 1.062 121.020 119.950 0.012 0.000 3.093 798 F HA -0.194 4.333 4.527 0.001 0.000 0.283 798 F C 1.986 177.802 175.800 0.026 0.000 0.848 798 F CA 1.062 59.065 58.000 0.004 0.000 1.059 798 F CB -1.459 37.486 39.000 -0.092 0.000 1.191 798 F HN 1.174 nan 8.300 nan 0.000 0.514 799 G N -1.189 107.676 108.800 0.108 0.000 2.254 799 G HA2 -0.211 3.749 3.960 0.001 0.000 0.225 799 G HA3 -0.211 3.749 3.960 0.001 0.000 0.225 799 G C 1.161 176.066 174.900 0.008 0.000 1.003 799 G CA 0.114 45.311 45.100 0.162 0.000 0.622 799 G HN 1.191 nan 8.290 nan 0.000 0.507 800 G N 0.126 108.670 108.800 -0.427 0.000 2.509 800 G HA2 0.133 4.094 3.960 0.001 0.000 0.218 800 G HA3 0.133 4.094 3.960 0.001 0.000 0.218 800 G C 1.214 176.037 174.900 -0.129 0.000 1.124 800 G CA 1.408 46.041 45.100 -0.778 0.000 0.776 800 G HN 0.535 nan 8.290 nan 0.000 0.547 801 K N -0.256 120.064 120.400 -0.134 0.000 2.455 801 K HA 0.186 4.506 4.320 0.001 0.000 0.206 801 K C 1.424 178.009 176.600 -0.024 0.000 1.027 801 K CA -0.118 56.113 56.287 -0.093 0.000 1.113 801 K CB 0.710 33.031 32.500 -0.299 0.000 0.850 801 K HN 0.329 nan 8.250 nan 0.000 0.503 802 E N 0.903 121.121 120.200 0.029 0.000 2.152 802 E HA -0.134 4.217 4.350 0.001 0.000 0.192 802 E C 1.261 177.890 176.600 0.048 0.000 0.983 802 E CA 1.802 58.242 56.400 0.065 0.000 0.818 802 E CB 0.436 30.228 29.700 0.153 0.000 0.758 802 E HN 0.304 nan 8.360 nan 0.000 0.467 803 T N -3.214 111.380 114.554 0.066 0.000 3.336 803 T HA 0.163 4.513 4.350 0.001 0.000 0.273 803 T C 1.518 176.245 174.700 0.045 0.000 0.932 803 T CA -0.565 61.554 62.100 0.030 0.000 0.995 803 T CB -0.235 68.688 68.868 0.092 0.000 1.213 803 T HN -0.098 nan 8.240 nan 0.000 0.502 804 R N 2.861 123.411 120.500 0.083 0.000 2.293 804 R HA 0.094 4.434 4.340 0.001 0.000 0.219 804 R C 2.525 178.783 176.300 -0.070 0.000 1.091 804 R CA 1.217 57.337 56.100 0.033 0.000 1.004 804 R CB -1.274 29.050 30.300 0.040 0.000 0.865 804 R HN 0.773 nan 8.270 nan 0.000 0.469 805 S N -0.049 115.681 115.700 0.049 0.000 2.474 805 S HA -0.128 4.342 4.470 0.001 0.000 0.235 805 S C 1.867 176.475 174.600 0.013 0.000 0.997 805 S CA 1.355 59.613 58.200 0.097 0.000 0.949 805 S CB -0.536 62.756 63.200 0.153 0.000 0.766 805 S HN 0.462 nan 8.310 nan 0.000 0.517 806 T N 0.904 115.463 114.554 0.008 0.000 2.962 806 T HA 0.135 4.486 4.350 0.001 0.000 0.270 806 T C 1.726 176.460 174.700 0.057 0.000 1.088 806 T CA 0.727 62.856 62.100 0.049 0.000 1.127 806 T CB -0.811 68.140 68.868 0.138 0.000 0.883 806 T HN 0.402 nan 8.240 nan 0.000 0.493 807 L N 0.501 121.738 121.223 0.023 0.000 2.042 807 L HA -0.075 4.266 4.340 0.001 0.000 0.210 807 L C 2.843 179.727 176.870 0.023 0.000 1.076 807 L CA 1.057 55.910 54.840 0.022 0.000 0.749 807 L CB -0.652 41.406 42.059 -0.002 0.000 0.893 807 L HN 0.213 nan 8.230 nan 0.000 0.432 808 V N -1.567 118.350 119.914 0.005 0.000 2.379 808 V HA -0.148 3.973 4.120 0.001 0.000 0.243 808 V C 2.494 178.615 176.094 0.044 0.000 1.035 808 V CA 1.510 63.833 62.300 0.040 0.000 1.035 808 V CB 0.189 32.038 31.823 0.044 0.000 0.673 808 V HN 0.310 nan 8.190 nan 0.000 0.457 809 S N 0.444 116.164 115.700 0.034 0.000 2.359 809 S HA -0.206 4.265 4.470 0.001 0.000 0.223 809 S C 2.017 176.628 174.600 0.017 0.000 1.039 809 S CA 1.781 59.999 58.200 0.030 0.000 1.042 809 S CB -0.336 62.876 63.200 0.020 0.000 0.915 809 S HN 0.368 nan 8.310 nan 0.000 0.439 810 V N 1.835 121.753 119.914 0.006 0.000 2.407 810 V HA -0.168 3.953 4.120 0.001 0.000 0.248 810 V C 2.569 178.608 176.094 -0.092 0.000 1.055 810 V CA 1.562 63.838 62.300 -0.040 0.000 1.049 810 V CB -1.221 30.569 31.823 -0.056 0.000 0.662 810 V HN 0.541 nan 8.190 nan 0.000 0.455 811 A N -0.120 122.660 122.820 -0.067 0.000 1.898 811 A HA -0.132 4.188 4.320 0.001 0.000 0.216 811 A C 2.379 180.004 177.584 0.069 0.000 1.181 811 A CA 1.935 53.964 52.037 -0.014 0.000 0.620 811 A CB -0.625 18.462 19.000 0.144 0.000 0.819 811 A HN 0.331 nan 8.150 nan 0.000 0.442 812 V N -0.059 119.894 119.914 0.064 0.000 2.407 812 V HA -0.228 3.892 4.120 0.001 0.000 0.248 812 V C 3.037 179.165 176.094 0.057 0.000 1.055 812 V CA 1.824 64.165 62.300 0.068 0.000 1.049 812 V CB -1.222 30.640 31.823 0.064 0.000 0.662 812 V HN 0.609 nan 8.190 nan 0.000 0.455 813 A N 0.021 122.863 122.820 0.037 0.000 1.902 813 A HA -0.210 4.111 4.320 0.001 0.000 0.217 813 A C 2.173 179.797 177.584 0.066 0.000 1.181 813 A CA 2.131 54.190 52.037 0.037 0.000 0.623 813 A CB -0.583 18.419 19.000 0.005 0.000 0.818 813 A HN 0.468 nan 8.150 nan 0.000 0.443 814 L N -0.203 121.044 121.223 0.040 0.000 2.046 814 L HA -0.071 4.269 4.340 0.001 0.000 0.208 814 L C 2.625 179.593 176.870 0.162 0.000 1.077 814 L CA 2.278 57.171 54.840 0.088 0.000 0.747 814 L CB -0.770 41.303 42.059 0.024 0.000 0.896 814 L HN 0.332 nan 8.230 nan 0.000 0.432 815 A N -0.441 122.449 122.820 0.116 0.000 1.902 815 A HA -0.098 4.222 4.320 0.001 0.000 0.217 815 A C 2.452 180.076 177.584 0.066 0.000 1.181 815 A CA 1.843 53.928 52.037 0.081 0.000 0.623 815 A CB -1.174 17.864 19.000 0.063 0.000 0.818 815 A HN 0.600 nan 8.150 nan 0.000 0.443 816 A N -1.391 121.478 122.820 0.082 0.000 1.898 816 A HA -0.069 4.251 4.320 0.001 0.000 0.216 816 A C 2.141 179.775 177.584 0.083 0.000 1.181 816 A CA 1.632 53.714 52.037 0.075 0.000 0.620 816 A CB -0.823 18.222 19.000 0.074 0.000 0.819 816 A HN 0.787 nan 8.150 nan 0.000 0.442 817 Y N 0.551 120.855 120.300 0.006 0.000 2.114 817 Y HA -0.203 4.348 4.550 0.001 0.000 0.284 817 Y C 2.263 178.167 175.900 0.007 0.000 1.143 817 Y CA 2.478 60.579 58.100 0.002 0.000 1.135 817 Y CB -0.294 38.163 38.460 -0.006 0.000 0.980 817 Y HN 0.190 nan 8.280 nan 0.000 0.499 818 K N -0.136 120.210 120.400 -0.089 0.000 2.057 818 K HA -0.104 4.217 4.320 0.001 0.000 0.206 818 K C 2.239 178.746 176.600 -0.155 0.000 1.050 818 K CA 2.097 58.279 56.287 -0.175 0.000 0.935 818 K CB -0.716 31.796 32.500 0.020 0.000 0.715 818 K HN 0.603 nan 8.250 nan 0.000 0.439 819 T N -4.405 110.103 114.554 -0.078 0.000 3.035 819 T HA 0.157 4.507 4.350 0.001 0.000 0.259 819 T C 1.525 176.269 174.700 0.073 0.000 1.078 819 T CA 0.753 62.825 62.100 -0.046 0.000 1.132 819 T CB 0.018 68.821 68.868 -0.108 0.000 0.900 819 T HN 0.293 nan 8.240 nan 0.000 0.480 820 G N 1.039 109.854 108.800 0.025 0.000 2.179 820 G HA2 -0.214 3.746 3.960 0.001 0.000 0.260 820 G HA3 -0.214 3.746 3.960 0.001 0.000 0.260 820 G C 0.019 174.953 174.900 0.057 0.000 0.977 820 G CA 0.289 45.399 45.100 0.016 0.000 0.641 820 G HN 0.771 nan 8.290 nan 0.000 0.533 821 H N 1.016 120.046 119.070 -0.068 0.000 2.567 821 H HA 0.387 4.944 4.556 0.001 0.000 0.345 821 H C -2.268 173.028 175.328 -0.053 0.000 1.169 821 H CA -1.693 54.316 56.048 -0.064 0.000 1.227 821 H CB 2.217 31.950 29.762 -0.050 0.000 1.607 821 H HN 0.125 nan 8.280 nan 0.000 0.534 822 P HA 0.069 nan 4.420 nan 0.000 0.274 822 P C -0.649 176.677 177.300 0.042 0.000 1.231 822 P CA -0.137 62.995 63.100 0.053 0.000 0.790 822 P CB 1.352 33.102 31.700 0.083 0.000 0.951 823 V N 2.586 122.512 119.914 0.019 0.000 3.049 823 V HA 0.622 4.743 4.120 0.001 0.000 0.309 823 V C 0.153 176.219 176.094 -0.045 0.000 1.148 823 V CA -0.742 61.531 62.300 -0.045 0.000 0.990 823 V CB 2.467 34.288 31.823 -0.004 0.000 1.039 823 V HN 0.749 nan 8.190 nan 0.000 0.430 824 R N 1.325 121.754 120.500 -0.118 0.000 2.799 824 R HA 0.932 5.272 4.340 0.001 0.000 0.270 824 R C -1.565 174.757 176.300 0.037 0.000 1.010 824 R CA -0.644 55.432 56.100 -0.040 0.000 0.916 824 R CB 1.830 32.084 30.300 -0.076 0.000 1.228 824 R HN 0.787 nan 8.270 nan 0.000 0.469 825 C N 2.674 122.030 119.300 0.094 0.000 2.871 825 C HA 0.589 5.050 4.460 0.001 0.000 0.378 825 C C -1.219 173.849 174.990 0.129 0.000 1.052 825 C CA -0.552 58.550 59.018 0.139 0.000 1.250 825 C CB 1.284 29.101 27.740 0.128 0.000 1.689 825 C HN 0.991 nan 8.230 nan 0.000 0.506 826 M N 6.953 126.639 119.600 0.143 0.000 2.253 826 M HA 0.579 5.059 4.480 0.001 0.000 0.314 826 M C -1.287 175.085 176.300 0.120 0.000 1.019 826 M CA -0.572 54.799 55.300 0.118 0.000 0.932 826 M CB 1.209 33.880 32.600 0.119 0.000 1.606 826 M HN 0.720 nan 8.290 nan 0.000 0.430 827 L N 3.851 125.144 121.223 0.117 0.000 2.426 827 L HA 0.222 4.562 4.340 0.001 0.000 0.271 827 L C 0.083 177.023 176.870 0.117 0.000 1.169 827 L CA -0.397 54.517 54.840 0.123 0.000 0.836 827 L CB 0.315 42.460 42.059 0.143 0.000 1.112 827 L HN 0.650 nan 8.230 nan 0.000 0.465 828 D N 0.961 121.432 120.400 0.119 0.000 2.344 828 D HA 0.055 4.695 4.640 0.001 0.000 0.244 828 D C 0.904 177.287 176.300 0.138 0.000 1.134 828 D CA -0.366 53.711 54.000 0.127 0.000 0.930 828 D CB 1.096 41.970 40.800 0.123 0.000 1.175 828 D HN 0.319 nan 8.370 nan 0.000 0.437 829 R N 1.834 122.420 120.500 0.143 0.000 2.103 829 R HA -0.196 4.144 4.340 0.001 0.000 0.242 829 R C 1.513 177.888 176.300 0.125 0.000 1.142 829 R CA 1.891 58.049 56.100 0.098 0.000 0.960 829 R CB -0.511 29.843 30.300 0.090 0.000 0.858 829 R HN 0.536 nan 8.270 nan 0.000 0.439 830 N N 0.389 119.204 118.700 0.191 0.000 2.223 830 N HA -0.175 4.565 4.740 0.001 0.000 0.185 830 N C 1.264 176.862 175.510 0.145 0.000 1.016 830 N CA 1.873 55.029 53.050 0.177 0.000 0.863 830 N CB -0.494 38.145 38.487 0.254 0.000 0.983 830 N HN 0.487 nan 8.380 nan 0.000 0.429 831 E N 0.182 120.470 120.200 0.148 0.000 2.047 831 E HA -0.154 4.197 4.350 0.001 0.000 0.191 831 E C 1.360 178.036 176.600 0.128 0.000 0.987 831 E CA 0.948 57.428 56.400 0.134 0.000 0.799 831 E CB -0.138 29.641 29.700 0.131 0.000 0.752 831 E HN 0.406 nan 8.360 nan 0.000 0.449 832 D N 0.699 121.183 120.400 0.139 0.000 2.092 832 D HA -0.171 4.470 4.640 0.001 0.000 0.193 832 D C 1.996 178.384 176.300 0.147 0.000 0.994 832 D CA 1.205 55.311 54.000 0.176 0.000 0.828 832 D CB 0.047 40.979 40.800 0.221 0.000 0.963 832 D HN 0.148 nan 8.370 nan 0.000 0.450 833 M N -0.152 119.502 119.600 0.090 0.000 2.229 833 M HA -0.151 4.329 4.480 0.001 0.000 0.264 833 M C 2.234 178.567 176.300 0.055 0.000 1.063 833 M CA 0.640 55.963 55.300 0.039 0.000 1.114 833 M CB -0.020 32.572 32.600 -0.013 0.000 1.387 833 M HN 0.072 nan 8.290 nan 0.000 0.420 834 L N 0.415 121.686 121.223 0.080 0.000 2.068 834 L HA -0.011 4.329 4.340 0.001 0.000 0.204 834 L C 1.941 178.877 176.870 0.110 0.000 1.076 834 L CA 1.765 56.660 54.840 0.092 0.000 0.753 834 L CB -0.205 41.914 42.059 0.100 0.000 0.910 834 L HN 0.174 nan 8.230 nan 0.000 0.439 835 I N -0.907 119.728 120.570 0.108 0.000 2.494 835 I HA -0.125 4.045 4.170 0.001 0.000 0.250 835 I C 2.086 178.251 176.117 0.081 0.000 1.112 835 I CA 1.249 62.609 61.300 0.100 0.000 1.438 835 I CB -0.694 37.363 38.000 0.095 0.000 1.111 835 I HN 0.367 nan 8.210 nan 0.000 0.431 836 T N -0.930 113.673 114.554 0.080 0.000 3.160 836 T HA 0.318 4.668 4.350 0.001 0.000 0.257 836 T C 1.060 175.852 174.700 0.154 0.000 1.147 836 T CA 0.338 62.479 62.100 0.068 0.000 1.064 836 T CB -0.623 68.276 68.868 0.052 0.000 0.949 836 T HN 0.579 nan 8.240 nan 0.000 0.526 837 G N -0.718 108.177 108.800 0.159 0.000 2.814 837 G HA2 0.362 4.322 3.960 0.001 0.000 0.677 837 G HA3 0.362 4.322 3.960 0.001 0.000 0.677 837 G C -0.090 174.965 174.900 0.258 0.000 1.429 837 G CA -0.591 44.610 45.100 0.168 0.000 0.868 837 G HN 1.259 nan 8.290 nan 0.000 0.553 838 G N -0.992 107.918 108.800 0.183 0.000 2.846 838 G HA2 0.762 4.722 3.960 0.001 0.000 0.299 838 G HA3 0.762 4.722 3.960 0.001 0.000 0.299 838 G C -0.107 174.882 174.900 0.148 0.000 1.242 838 G CA 0.129 45.311 45.100 0.136 0.000 0.800 838 G HN 0.923 nan 8.290 nan 0.000 0.538 839 R N -0.184 120.412 120.500 0.161 0.000 2.643 839 R HA 0.233 4.574 4.340 0.001 0.000 0.270 839 R C -0.629 175.730 176.300 0.098 0.000 1.061 839 R CA -0.275 55.911 56.100 0.143 0.000 1.107 839 R CB 0.026 30.229 30.300 -0.162 0.000 0.999 839 R HN 0.581 nan 8.270 nan 0.000 0.460 840 H N 4.156 123.295 119.070 0.114 0.000 2.819 840 H HA 0.192 4.748 4.556 0.001 0.000 0.303 840 H C -2.022 173.444 175.328 0.231 0.000 1.058 840 H CA -1.340 54.819 56.048 0.184 0.000 1.471 840 H CB 0.801 30.738 29.762 0.291 0.000 1.480 840 H HN 0.447 nan 8.280 nan 0.000 0.517 841 P HA 0.110 nan 4.420 nan 0.000 0.274 841 P C -0.818 176.645 177.300 0.271 0.000 1.231 841 P CA 0.109 63.277 63.100 0.113 0.000 0.790 841 P CB 0.688 32.442 31.700 0.091 0.000 0.951 842 F N 1.489 121.349 119.950 -0.150 0.000 2.551 842 F HA 0.523 5.051 4.527 0.001 0.000 0.316 842 F C -0.413 175.420 175.800 0.055 0.000 1.089 842 F CA -1.035 56.983 58.000 0.029 0.000 0.915 842 F CB 1.725 40.776 39.000 0.086 0.000 1.186 842 F HN 0.073 nan 8.300 nan 0.000 0.456 843 L N 3.556 124.986 121.223 0.346 0.000 2.362 843 L HA 0.901 5.241 4.340 0.001 0.000 0.275 843 L C -1.198 175.927 176.870 0.426 0.000 0.998 843 L CA -0.340 54.748 54.840 0.414 0.000 0.820 843 L CB 1.453 43.728 42.059 0.361 0.000 1.270 843 L HN 0.602 nan 8.230 nan 0.000 0.415 844 A N 5.108 128.158 122.820 0.385 0.000 2.386 844 A HA 0.887 5.208 4.320 0.001 0.000 0.311 844 A C -0.871 176.904 177.584 0.319 0.000 1.068 844 A CA -0.732 51.498 52.037 0.321 0.000 0.743 844 A CB 1.240 20.394 19.000 0.256 0.000 1.258 844 A HN 0.723 nan 8.150 nan 0.000 0.429 845 R N 1.206 121.861 120.500 0.258 0.000 2.409 845 R HA 0.550 4.890 4.340 0.001 0.000 0.313 845 R C -1.486 174.903 176.300 0.148 0.000 0.953 845 R CA -0.353 55.843 56.100 0.159 0.000 0.849 845 R CB 1.461 31.846 30.300 0.143 0.000 1.171 845 R HN 0.812 nan 8.270 nan 0.000 0.458 846 Y N -0.474 119.855 120.300 0.049 0.000 2.602 846 Y HA 0.695 5.245 4.550 0.001 0.000 0.342 846 Y C -0.929 174.973 175.900 0.004 0.000 1.029 846 Y CA -1.369 56.742 58.100 0.019 0.000 1.080 846 Y CB 1.908 40.397 38.460 0.049 0.000 1.284 846 Y HN 0.283 nan 8.280 nan 0.000 0.485 847 K N 2.173 122.635 120.400 0.104 0.000 2.588 847 K HA 0.601 4.922 4.320 0.001 0.000 0.250 847 K C -2.609 174.095 176.600 0.173 0.000 0.972 847 K CA -0.719 55.594 56.287 0.045 0.000 0.821 847 K CB 2.512 34.961 32.500 -0.084 0.000 1.249 847 K HN 0.825 nan 8.250 nan 0.000 0.442 848 V N 3.000 123.026 119.914 0.187 0.000 2.604 848 V HA 0.832 4.952 4.120 0.001 0.000 0.305 848 V C -0.565 175.735 176.094 0.343 0.000 1.043 848 V CA -0.205 62.160 62.300 0.108 0.000 0.888 848 V CB 1.684 33.369 31.823 -0.231 0.000 0.995 848 V HN 0.844 nan 8.190 nan 0.000 0.429 849 G N 5.770 114.723 108.800 0.255 0.000 2.416 849 G HA2 0.770 4.731 3.960 0.001 0.000 0.324 849 G HA3 0.770 4.731 3.960 0.001 0.000 0.324 849 G C -1.202 173.803 174.900 0.175 0.000 1.194 849 G CA -0.530 44.684 45.100 0.190 0.000 0.922 849 G HN 1.088 nan 8.290 nan 0.000 0.467 850 F N 0.282 120.216 119.950 -0.027 0.000 2.715 850 F HA 0.771 5.298 4.527 0.001 0.000 0.318 850 F C -0.610 175.178 175.800 -0.020 0.000 1.141 850 F CA -1.835 56.139 58.000 -0.043 0.000 0.950 850 F CB 1.341 40.323 39.000 -0.031 0.000 1.374 850 F HN 0.243 nan 8.300 nan 0.000 0.477 851 M N 1.351 121.034 119.600 0.138 0.000 2.471 851 M HA 0.382 4.862 4.480 0.001 0.000 0.309 851 M C 0.923 177.300 176.300 0.128 0.000 1.186 851 M CA -0.660 54.667 55.300 0.045 0.000 1.008 851 M CB 1.343 33.965 32.600 0.037 0.000 1.551 851 M HN 0.769 nan 8.290 nan 0.000 0.477 852 K N 0.351 120.788 120.400 0.061 0.000 2.281 852 K HA -0.119 4.202 4.320 0.001 0.000 0.203 852 K C 1.505 178.173 176.600 0.114 0.000 1.046 852 K CA 1.825 58.166 56.287 0.091 0.000 0.938 852 K CB -0.347 32.180 32.500 0.045 0.000 0.737 852 K HN 0.878 nan 8.250 nan 0.000 0.458 853 T N -3.230 111.381 114.554 0.094 0.000 3.055 853 T HA 0.086 4.436 4.350 0.001 0.000 0.265 853 T C 1.468 176.221 174.700 0.088 0.000 1.111 853 T CA 0.913 63.060 62.100 0.079 0.000 1.118 853 T CB 0.256 69.157 68.868 0.055 0.000 0.909 853 T HN 0.352 nan 8.240 nan 0.000 0.501 854 G N 0.546 109.427 108.800 0.134 0.000 2.218 854 G HA2 -0.208 3.753 3.960 0.001 0.000 0.216 854 G HA3 -0.208 3.753 3.960 0.001 0.000 0.216 854 G C 0.225 175.153 174.900 0.048 0.000 0.994 854 G CA -0.080 45.071 45.100 0.085 0.000 0.637 854 G HN 0.668 nan 8.290 nan 0.000 0.505 855 T N 2.022 116.613 114.554 0.062 0.000 2.888 855 T HA 0.481 4.831 4.350 0.001 0.000 0.301 855 T C 0.553 175.287 174.700 0.056 0.000 1.001 855 T CA 0.306 62.416 62.100 0.018 0.000 1.147 855 T CB 1.169 70.038 68.868 0.002 0.000 0.931 855 T HN 0.262 nan 8.240 nan 0.000 0.541 856 I N 3.787 124.356 120.570 -0.001 0.000 2.428 856 I HA 0.144 4.314 4.170 0.001 0.000 0.289 856 I C 1.027 177.105 176.117 -0.065 0.000 1.019 856 I CA 0.248 61.542 61.300 -0.010 0.000 1.351 856 I CB 1.468 39.420 38.000 -0.080 0.000 1.412 856 I HN 0.448 nan 8.210 nan 0.000 0.513 857 V N 4.347 124.207 119.914 -0.091 0.000 3.562 857 V HA 0.561 4.681 4.120 0.001 0.000 0.270 857 V C 0.344 176.277 176.094 -0.268 0.000 1.418 857 V CA 0.411 62.623 62.300 -0.147 0.000 1.033 857 V CB 0.225 31.977 31.823 -0.118 0.000 0.820 857 V HN 0.803 nan 8.190 nan 0.000 0.441 858 A N 0.732 123.335 122.820 -0.362 0.000 2.574 858 A HA 0.859 5.179 4.320 0.001 0.000 0.297 858 A C -2.022 175.256 177.584 -0.509 0.000 1.062 858 A CA -0.384 51.269 52.037 -0.640 0.000 0.686 858 A CB 2.426 20.577 19.000 -1.414 0.000 1.285 858 A HN 0.274 nan 8.150 nan 0.000 0.403 859 L N 0.778 121.759 121.223 -0.403 0.000 2.588 859 L HA 0.657 4.997 4.340 0.001 0.000 0.263 859 L C -1.285 175.554 176.870 -0.051 0.000 0.935 859 L CA 0.111 54.802 54.840 -0.248 0.000 0.891 859 L CB 1.988 43.791 42.059 -0.425 0.000 1.318 859 L HN 0.780 nan 8.230 nan 0.000 0.409 860 E N 4.413 124.668 120.200 0.092 0.000 2.234 860 E HA 0.743 5.093 4.350 0.001 0.000 0.266 860 E C -1.500 175.153 176.600 0.089 0.000 0.877 860 E CA -0.910 55.564 56.400 0.123 0.000 0.758 860 E CB 2.936 32.752 29.700 0.194 0.000 1.170 860 E HN 0.366 nan 8.360 nan 0.000 0.415 861 V N 2.788 122.749 119.914 0.079 0.000 2.569 861 V HA 0.222 4.342 4.120 0.001 0.000 0.301 861 V C -1.128 174.937 176.094 -0.049 0.000 1.044 861 V CA -0.989 61.325 62.300 0.024 0.000 0.874 861 V CB 2.027 33.851 31.823 0.001 0.000 1.002 861 V HN 0.649 nan 8.190 nan 0.000 0.424 862 D N 2.880 123.240 120.400 -0.068 0.000 2.349 862 D HA 0.469 5.109 4.640 0.001 0.000 0.232 862 D C -0.510 175.671 176.300 -0.200 0.000 1.071 862 D CA -0.231 53.711 54.000 -0.096 0.000 0.832 862 D CB 1.249 42.058 40.800 0.015 0.000 1.086 862 D HN 0.593 nan 8.370 nan 0.000 0.504 863 H N 1.181 120.138 119.070 -0.188 0.000 2.463 863 H HA 0.442 4.998 4.556 0.001 0.000 0.332 863 H C -0.744 174.277 175.328 -0.512 0.000 1.127 863 H CA -0.316 55.663 56.048 -0.116 0.000 1.238 863 H CB 0.872 30.678 29.762 0.073 0.000 1.478 863 H HN 0.302 nan 8.280 nan 0.000 0.499 864 Y N 0.351 120.636 120.300 -0.026 0.000 2.386 864 Y HA 0.375 4.926 4.550 0.001 0.000 0.334 864 Y C -0.361 175.310 175.900 -0.382 0.000 1.002 864 Y CA -0.902 57.124 58.100 -0.123 0.000 1.068 864 Y CB 1.951 40.426 38.460 0.026 0.000 1.203 864 Y HN 0.693 nan 8.280 nan 0.000 0.443 865 S N 1.845 117.343 115.700 -0.335 0.000 2.532 865 S HA 0.449 4.919 4.470 0.001 0.000 0.301 865 S C -0.903 173.699 174.600 0.004 0.000 1.083 865 S CA -0.976 56.968 58.200 -0.426 0.000 1.025 865 S CB 1.777 64.582 63.200 -0.658 0.000 1.056 865 S HN 0.635 nan 8.310 nan 0.000 0.494 866 N N 1.380 120.131 118.700 0.085 0.000 2.469 866 N HA 0.353 5.093 4.740 0.001 0.000 0.239 866 N C 0.728 176.310 175.510 0.119 0.000 1.053 866 N CA -0.200 52.904 53.050 0.089 0.000 0.937 866 N CB 1.260 39.773 38.487 0.043 0.000 1.163 866 N HN 0.797 nan 8.380 nan 0.000 0.509 867 A N 2.528 125.470 122.820 0.203 0.000 2.123 867 A HA 0.361 4.682 4.320 0.001 0.000 0.214 867 A C 1.156 178.828 177.584 0.147 0.000 1.152 867 A CA 0.967 53.161 52.037 0.262 0.000 0.728 867 A CB -0.583 18.678 19.000 0.436 0.000 0.814 867 A HN 0.895 nan 8.150 nan 0.000 0.464 868 G N 0.315 109.185 108.800 0.116 0.000 2.587 868 G HA2 -0.201 3.759 3.960 0.001 0.000 0.212 868 G HA3 -0.201 3.759 3.960 0.001 0.000 0.212 868 G C 0.076 175.067 174.900 0.151 0.000 1.327 868 G CA 0.152 45.294 45.100 0.070 0.000 0.898 868 G HN 1.031 nan 8.290 nan 0.000 0.551 869 N N 0.167 118.911 118.700 0.074 0.000 2.421 869 N HA 0.321 5.062 4.740 0.001 0.000 0.201 869 N C 0.527 176.105 175.510 0.113 0.000 1.198 869 N CA 1.195 54.290 53.050 0.075 0.000 0.838 869 N CB -0.040 38.407 38.487 -0.066 0.000 1.011 869 N HN 1.829 nan 8.380 nan 0.000 0.463 870 S N -1.736 114.013 115.700 0.082 0.000 2.587 870 S HA 0.462 4.933 4.470 0.001 0.000 0.269 870 S C 0.361 174.721 174.600 -0.401 0.000 1.154 870 S CA -0.972 57.166 58.200 -0.104 0.000 0.824 870 S CB 1.695 64.881 63.200 -0.024 0.000 1.118 870 S HN 0.010 nan 8.310 nan 0.000 0.462 871 R N 0.764 120.935 120.500 -0.548 0.000 2.057 871 R HA 0.090 4.431 4.340 0.001 0.000 0.229 871 R C 0.942 177.189 176.300 -0.087 0.000 1.136 871 R CA 1.506 57.272 56.100 -0.555 0.000 0.952 871 R CB -0.803 29.149 30.300 -0.580 0.000 0.848 871 R HN 0.901 nan 8.270 nan 0.000 0.430 872 D N -1.002 119.492 120.400 0.157 0.000 3.608 872 D HA -0.291 4.349 4.640 0.001 0.000 0.152 872 D C 0.330 176.854 176.300 0.372 0.000 0.971 872 D CA 2.189 56.358 54.000 0.282 0.000 1.072 872 D CB -0.899 40.021 40.800 0.200 0.000 0.507 872 D HN 0.104 nan 8.370 nan 0.000 0.520 873 L N 0.221 121.623 121.223 0.299 0.000 2.607 873 L HA 0.253 4.594 4.340 0.001 0.000 0.228 873 L C 2.133 179.064 176.870 0.101 0.000 1.123 873 L CA 0.266 55.289 54.840 0.305 0.000 0.890 873 L CB 0.019 42.300 42.059 0.370 0.000 1.103 873 L HN 0.162 nan 8.230 nan 0.000 0.468 874 S N -0.389 115.354 115.700 0.070 0.000 2.387 874 S HA -0.287 4.184 4.470 0.001 0.000 0.230 874 S C 1.874 176.392 174.600 -0.137 0.000 1.035 874 S CA 1.757 59.903 58.200 -0.090 0.000 1.014 874 S CB -0.275 62.978 63.200 0.088 0.000 0.836 874 S HN 0.563 nan 8.310 nan 0.000 0.466 875 H N 1.249 120.239 119.070 -0.134 0.000 2.299 875 H HA 0.025 4.582 4.556 0.001 0.000 0.302 875 H C 2.284 177.562 175.328 -0.083 0.000 1.078 875 H CA 1.890 57.852 56.048 -0.144 0.000 1.323 875 H CB -0.332 29.320 29.762 -0.185 0.000 1.381 875 H HN 0.251 nan 8.280 nan 0.000 0.498 876 S N -0.168 115.614 115.700 0.137 0.000 2.383 876 S HA -0.135 4.335 4.470 0.001 0.000 0.229 876 S C 2.275 176.980 174.600 0.175 0.000 1.030 876 S CA 1.342 59.701 58.200 0.265 0.000 1.002 876 S CB -0.239 63.301 63.200 0.566 0.000 0.829 876 S HN 0.368 nan 8.310 nan 0.000 0.467 877 I N 0.791 121.220 120.570 -0.234 0.000 2.226 877 I HA -0.211 3.960 4.170 0.001 0.000 0.245 877 I C 2.460 178.462 176.117 -0.193 0.000 1.100 877 I CA 1.151 62.134 61.300 -0.528 0.000 1.374 877 I CB -0.230 37.275 38.000 -0.824 0.000 1.057 877 I HN 0.298 nan 8.210 nan 0.000 0.413 878 M N 0.789 120.256 119.600 -0.222 0.000 2.175 878 M HA -0.169 4.312 4.480 0.001 0.000 0.264 878 M C 1.969 178.128 176.300 -0.235 0.000 1.063 878 M CA 1.773 56.960 55.300 -0.188 0.000 1.119 878 M CB -0.453 31.954 32.600 -0.322 0.000 1.377 878 M HN 0.096 nan 8.290 nan 0.000 0.415 879 E N -0.559 119.471 120.200 -0.283 0.000 2.038 879 E HA -0.265 4.086 4.350 0.001 0.000 0.195 879 E C 2.202 178.764 176.600 -0.062 0.000 1.000 879 E CA 1.539 57.777 56.400 -0.270 0.000 0.803 879 E CB -0.292 29.348 29.700 -0.101 0.000 0.750 879 E HN 0.511 nan 8.360 nan 0.000 0.448 880 R N 0.550 121.197 120.500 0.245 0.000 2.096 880 R HA -0.153 4.187 4.340 0.001 0.000 0.235 880 R C 2.194 178.677 176.300 0.305 0.000 1.127 880 R CA 1.261 57.634 56.100 0.456 0.000 0.968 880 R CB -0.181 30.363 30.300 0.406 0.000 0.861 880 R HN 0.147 nan 8.270 nan 0.000 0.440 881 A N 1.170 124.038 122.820 0.080 0.000 1.865 881 A HA -0.163 4.158 4.320 0.001 0.000 0.217 881 A C 2.188 179.772 177.584 0.000 0.000 1.191 881 A CA 1.438 53.465 52.037 -0.018 0.000 0.623 881 A CB -0.697 18.254 19.000 -0.081 0.000 0.826 881 A HN 0.363 nan 8.150 nan 0.000 0.444 882 L N -1.843 119.326 121.223 -0.091 0.000 2.079 882 L HA -0.183 4.157 4.340 0.001 0.000 0.210 882 L C 2.435 179.418 176.870 0.188 0.000 1.081 882 L CA 1.284 56.107 54.840 -0.028 0.000 0.752 882 L CB -0.553 41.470 42.059 -0.059 0.000 0.896 882 L HN 0.448 nan 8.230 nan 0.000 0.433 883 F N -1.008 119.029 119.950 0.144 0.000 2.408 883 F HA -0.186 4.342 4.527 0.001 0.000 0.300 883 F C 1.637 177.452 175.800 0.024 0.000 1.090 883 F CA 0.626 58.584 58.000 -0.069 0.000 1.427 883 F CB -0.070 38.825 39.000 -0.176 0.000 1.070 883 F HN 0.231 nan 8.300 nan 0.000 0.549 884 H N -1.192 118.077 119.070 0.331 0.000 2.785 884 H HA 0.139 4.695 4.556 0.001 0.000 0.268 884 H C 1.684 177.084 175.328 0.121 0.000 1.153 884 H CA -0.056 56.117 56.048 0.210 0.000 1.111 884 H CB -0.182 29.600 29.762 0.033 0.000 1.633 884 H HN 0.235 nan 8.280 nan 0.000 0.576 885 M N -0.128 119.600 119.600 0.214 0.000 2.632 885 M HA -0.030 4.451 4.480 0.001 0.000 0.256 885 M C 0.526 176.885 176.300 0.098 0.000 1.080 885 M CA 1.352 56.754 55.300 0.171 0.000 1.084 885 M CB 0.164 32.908 32.600 0.240 0.000 1.439 885 M HN 0.076 nan 8.290 nan 0.000 0.509 886 D N -0.902 119.490 120.400 -0.013 0.000 2.355 886 D HA 0.010 4.650 4.640 0.001 0.000 0.206 886 D C 0.873 177.200 176.300 0.045 0.000 1.010 886 D CA 0.389 54.393 54.000 0.007 0.000 0.875 886 D CB -0.414 40.344 40.800 -0.070 0.000 0.966 886 D HN 0.496 nan 8.370 nan 0.000 0.512 887 N N 0.049 118.769 118.700 0.033 0.000 1.424 887 N HA -0.287 4.454 4.740 0.001 0.000 0.147 887 N C -0.258 175.203 175.510 -0.082 0.000 0.709 887 N CA 2.614 55.626 53.050 -0.064 0.000 1.052 887 N CB -1.366 36.997 38.487 -0.207 0.000 1.281 887 N HN 0.341 nan 8.380 nan 0.000 0.478 888 C N 0.084 119.078 119.300 -0.510 0.000 2.760 888 C HA 0.459 4.920 4.460 0.001 0.000 0.293 888 C C -0.733 173.869 174.990 -0.647 0.000 1.383 888 C CA -0.501 58.330 59.018 -0.311 0.000 1.771 888 C CB -2.021 25.563 27.740 -0.260 0.000 2.353 888 C HN 0.338 nan 8.230 nan 0.000 0.578 889 Y N 0.570 120.682 120.300 -0.313 0.000 2.393 889 Y HA 0.374 4.924 4.550 0.001 0.000 0.341 889 Y C 0.271 175.557 175.900 -1.023 0.000 0.988 889 Y CA -0.958 56.790 58.100 -0.587 0.000 1.078 889 Y CB 0.935 39.243 38.460 -0.254 0.000 1.203 889 Y HN -0.025 nan 8.280 nan 0.000 0.453 890 K N 4.497 124.348 120.400 -0.914 0.000 2.316 890 K HA 0.452 4.772 4.320 0.001 0.000 0.289 890 K C -1.338 175.095 176.600 -0.280 0.000 1.070 890 K CA -0.027 55.830 56.287 -0.716 0.000 0.928 890 K CB 0.080 32.295 32.500 -0.475 0.000 1.039 890 K HN 0.724 nan 8.250 nan 0.000 0.480 891 I N 7.708 128.175 120.570 -0.172 0.000 2.405 891 I HA 0.206 4.377 4.170 0.001 0.000 0.280 891 I C -1.798 174.269 176.117 -0.083 0.000 1.027 891 I CA -2.521 58.712 61.300 -0.113 0.000 1.161 891 I CB 1.704 39.648 38.000 -0.094 0.000 1.300 891 I HN 0.558 nan 8.210 nan 0.000 0.463 892 P HA -0.136 nan 4.420 nan 0.000 0.216 892 P C -0.257 177.000 177.300 -0.072 0.000 1.157 892 P CA 1.502 64.557 63.100 -0.075 0.000 0.880 892 P CB 0.147 31.794 31.700 -0.087 0.000 0.791 893 N N -0.125 118.506 118.700 -0.115 0.000 2.399 893 N HA 0.463 5.204 4.740 0.001 0.000 0.280 893 N C -0.720 174.706 175.510 -0.141 0.000 1.008 893 N CA -0.338 52.637 53.050 -0.126 0.000 0.894 893 N CB 2.246 40.620 38.487 -0.188 0.000 1.273 893 N HN 0.036 nan 8.380 nan 0.000 0.486 894 I N 0.571 121.104 120.570 -0.061 0.000 2.775 894 I HA 0.401 4.572 4.170 0.001 0.000 0.295 894 I C -1.587 174.556 176.117 0.044 0.000 1.287 894 I CA -0.721 60.561 61.300 -0.030 0.000 1.029 894 I CB 2.552 40.547 38.000 -0.008 0.000 1.282 894 I HN 0.384 nan 8.210 nan 0.000 0.426 895 R N 5.093 125.630 120.500 0.061 0.000 2.502 895 R HA 0.677 5.018 4.340 0.001 0.000 0.298 895 R C -1.427 174.949 176.300 0.126 0.000 1.018 895 R CA -0.557 55.603 56.100 0.100 0.000 0.899 895 R CB 1.913 32.267 30.300 0.090 0.000 1.181 895 R HN 0.822 nan 8.270 nan 0.000 0.444 896 G N 2.061 110.961 108.800 0.167 0.000 2.609 896 G HA2 0.458 4.418 3.960 0.001 0.000 0.308 896 G HA3 0.458 4.418 3.960 0.001 0.000 0.308 896 G C -0.664 174.340 174.900 0.173 0.000 1.369 896 G CA -0.443 44.787 45.100 0.216 0.000 0.958 896 G HN 0.564 nan 8.290 nan 0.000 0.499 897 T N -0.789 113.857 114.554 0.153 0.000 2.924 897 T HA 0.857 5.208 4.350 0.001 0.000 0.291 897 T C 0.052 174.757 174.700 0.009 0.000 1.045 897 T CA -0.642 61.478 62.100 0.034 0.000 1.015 897 T CB 2.401 71.239 68.868 -0.050 0.000 1.103 897 T HN 1.170 nan 8.240 nan 0.000 0.496 898 G N 1.073 109.785 108.800 -0.147 0.000 2.701 898 G HA2 0.642 4.602 3.960 0.001 0.000 0.300 898 G HA3 0.642 4.602 3.960 0.001 0.000 0.300 898 G C -1.394 173.315 174.900 -0.319 0.000 1.410 898 G CA -0.870 44.093 45.100 -0.230 0.000 1.014 898 G HN 0.631 nan 8.290 nan 0.000 0.509 899 R N 1.205 121.479 120.500 -0.376 0.000 2.628 899 R HA 0.405 4.746 4.340 0.001 0.000 0.288 899 R C -0.886 175.369 176.300 -0.074 0.000 0.980 899 R CA -0.839 55.085 56.100 -0.293 0.000 0.891 899 R CB 2.093 32.114 30.300 -0.465 0.000 1.188 899 R HN 0.479 nan 8.270 nan 0.000 0.450 900 L N 2.795 124.057 121.223 0.065 0.000 2.255 900 L HA 0.426 4.766 4.340 0.001 0.000 0.289 900 L C -0.062 177.001 176.870 0.321 0.000 1.046 900 L CA -0.807 54.141 54.840 0.181 0.000 0.816 900 L CB 1.239 43.444 42.059 0.242 0.000 1.197 900 L HN 0.420 nan 8.230 nan 0.000 0.427 901 C N 3.244 122.700 119.300 0.260 0.000 2.576 901 C HA 0.132 4.593 4.460 0.001 0.000 0.401 901 C C 0.868 175.828 174.990 -0.051 0.000 1.314 901 C CA -0.661 58.434 59.018 0.127 0.000 1.855 901 C CB 0.063 27.860 27.740 0.096 0.000 2.537 901 C HN 0.672 nan 8.230 nan 0.000 0.578 902 K N 3.427 123.610 120.400 -0.361 0.000 2.262 902 K HA 0.430 4.750 4.320 0.001 0.000 0.282 902 K C 0.193 176.612 176.600 -0.301 0.000 1.066 902 K CA 0.178 56.096 56.287 -0.615 0.000 0.901 902 K CB 0.488 32.339 32.500 -1.081 0.000 1.089 902 K HN 0.924 nan 8.250 nan 0.000 0.476 903 T N 0.403 114.870 114.554 -0.144 0.000 2.865 903 T HA 0.294 4.644 4.350 0.001 0.000 0.294 903 T C -0.282 174.359 174.700 -0.098 0.000 1.119 903 T CA -1.064 60.962 62.100 -0.123 0.000 1.007 903 T CB 0.964 69.774 68.868 -0.097 0.000 1.225 903 T HN 0.542 nan 8.240 nan 0.000 0.515 904 N N 0.690 119.325 118.700 -0.108 0.000 3.298 904 N HA 0.513 5.254 4.740 0.001 0.000 0.292 904 N C -0.950 174.528 175.510 -0.054 0.000 1.271 904 N CA -0.218 52.775 53.050 -0.095 0.000 1.184 904 N CB -0.244 38.187 38.487 -0.092 0.000 1.452 904 N HN 0.379 nan 8.380 nan 0.000 0.534 905 L N -0.493 120.700 121.223 -0.049 0.000 2.415 905 L HA 0.447 4.787 4.340 0.001 0.000 0.256 905 L C 0.019 176.885 176.870 -0.007 0.000 1.010 905 L CA -1.090 53.729 54.840 -0.034 0.000 0.826 905 L CB 1.898 43.894 42.059 -0.105 0.000 1.405 905 L HN 0.100 nan 8.230 nan 0.000 0.410 906 S N 0.571 116.290 115.700 0.032 0.000 2.558 906 S HA -0.029 4.441 4.470 0.001 0.000 0.291 906 S C 0.232 174.845 174.600 0.022 0.000 1.306 906 S CA -0.052 58.171 58.200 0.038 0.000 1.056 906 S CB 0.740 63.988 63.200 0.080 0.000 0.836 906 S HN 0.555 nan 8.310 nan 0.000 0.504 907 S N 3.019 118.732 115.700 0.022 0.000 2.515 907 S HA 0.060 4.531 4.470 0.001 0.000 0.285 907 S C 0.240 174.849 174.600 0.015 0.000 1.265 907 S CA -0.605 57.611 58.200 0.026 0.000 1.079 907 S CB -0.302 62.922 63.200 0.040 0.000 0.877 907 S HN 0.591 nan 8.310 nan 0.000 0.493 908 N N 2.856 121.502 118.700 -0.089 0.000 2.483 908 N HA 0.365 5.106 4.740 0.001 0.000 0.269 908 N C 0.291 175.787 175.510 -0.023 0.000 1.209 908 N CA -0.075 52.844 53.050 -0.219 0.000 0.969 908 N CB 1.585 39.632 38.487 -0.734 0.000 1.173 908 N HN 0.682 nan 8.380 nan 0.000 0.475 909 T N -1.211 113.446 114.554 0.172 0.000 2.572 909 T HA 0.651 5.002 4.350 0.001 0.000 0.274 909 T C -1.150 173.805 174.700 0.425 0.000 0.949 909 T CA -0.483 61.827 62.100 0.350 0.000 1.126 909 T CB 0.347 69.393 68.868 0.297 0.000 1.478 909 T HN 0.455 nan 8.240 nan 0.000 0.492 910 A N 0.982 124.059 122.820 0.429 0.000 2.425 910 A HA 0.632 4.952 4.320 0.001 0.000 0.249 910 A C -0.813 177.155 177.584 0.641 0.000 1.084 910 A CA -0.147 52.204 52.037 0.522 0.000 0.781 910 A CB -0.603 18.810 19.000 0.690 0.000 1.019 910 A HN 0.716 nan 8.150 nan 0.000 0.490 911 F N 1.811 122.014 119.950 0.421 0.000 2.605 911 F HA 0.409 4.937 4.527 0.001 0.000 0.320 911 F C 0.438 176.402 175.800 0.273 0.000 1.159 911 F CA -1.063 57.154 58.000 0.361 0.000 0.999 911 F CB 1.183 40.247 39.000 0.107 0.000 1.258 911 F HN 0.774 nan 8.300 nan 0.000 0.464 912 R N 3.957 124.925 120.500 0.780 0.000 3.958 912 R HA -0.005 4.335 4.340 0.001 0.000 0.186 912 R C 0.879 177.360 176.300 0.301 0.000 0.520 912 R CA 2.060 58.445 56.100 0.476 0.000 0.917 912 R CB -0.636 29.953 30.300 0.482 0.000 1.014 912 R HN 1.131 nan 8.270 nan 0.000 0.296 913 G N 3.517 112.467 108.800 0.252 0.000 2.617 913 G HA2 -0.276 3.685 3.960 0.001 0.000 0.197 913 G HA3 -0.276 3.685 3.960 0.001 0.000 0.197 913 G C 0.202 175.349 174.900 0.412 0.000 1.017 913 G CA -0.158 45.083 45.100 0.236 0.000 0.713 913 G HN 0.709 nan 8.290 nan 0.000 0.481 914 F N 1.090 121.155 119.950 0.191 0.000 2.943 914 F HA 0.040 4.567 4.527 0.001 0.000 0.258 914 F C 1.842 177.687 175.800 0.076 0.000 0.995 914 F CA 2.657 60.758 58.000 0.167 0.000 0.896 914 F CB -0.948 38.162 39.000 0.183 0.000 0.821 914 F HN 1.987 nan 8.300 nan 0.000 0.828 915 G N -0.469 108.315 108.800 -0.026 0.000 2.299 915 G HA2 -0.302 3.659 3.960 0.001 0.000 0.237 915 G HA3 -0.302 3.659 3.960 0.001 0.000 0.237 915 G C 1.508 176.301 174.900 -0.180 0.000 1.027 915 G CA 0.701 45.699 45.100 -0.170 0.000 0.619 915 G HN 1.498 nan 8.290 nan 0.000 0.513 916 G N 1.794 110.555 108.800 -0.066 0.000 2.459 916 G HA2 0.045 4.006 3.960 0.001 0.000 0.217 916 G HA3 0.045 4.006 3.960 0.001 0.000 0.217 916 G C 0.112 174.946 174.900 -0.110 0.000 1.183 916 G CA 2.002 47.006 45.100 -0.159 0.000 0.776 916 G HN 0.549 nan 8.290 nan 0.000 0.552 917 P HA -0.119 nan 4.420 nan 0.000 0.216 917 P C 1.789 179.132 177.300 0.072 0.000 1.153 917 P CA 1.442 64.614 63.100 0.120 0.000 0.858 917 P CB -0.012 31.754 31.700 0.110 0.000 0.789 918 Q N -0.655 119.045 119.800 -0.167 0.000 2.050 918 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 918 Q C 2.304 178.244 176.000 -0.101 0.000 0.980 918 Q CA 1.990 57.637 55.803 -0.259 0.000 0.840 918 Q CB -1.294 26.838 28.738 -1.010 0.000 0.898 918 Q HN 0.167 nan 8.270 nan 0.000 0.424 919 A N 0.302 123.020 122.820 -0.170 0.000 1.930 919 A HA -0.113 4.207 4.320 0.001 0.000 0.217 919 A C 2.048 179.610 177.584 -0.037 0.000 1.175 919 A CA 1.065 53.108 52.037 0.011 0.000 0.627 919 A CB -0.658 18.344 19.000 0.003 0.000 0.815 919 A HN 0.324 nan 8.150 nan 0.000 0.443 920 L N -1.986 119.094 121.223 -0.237 0.000 2.093 920 L HA -0.129 4.211 4.340 0.001 0.000 0.208 920 L C 2.459 179.063 176.870 -0.443 0.000 1.085 920 L CA 1.415 55.879 54.840 -0.627 0.000 0.755 920 L CB -0.537 40.609 42.059 -1.522 0.000 0.904 920 L HN 0.511 nan 8.230 nan 0.000 0.435 921 F N 1.015 120.865 119.950 -0.166 0.000 2.102 921 F HA -0.196 4.331 4.527 0.001 0.000 0.298 921 F C 2.240 178.048 175.800 0.013 0.000 1.105 921 F CA 1.385 59.482 58.000 0.162 0.000 1.239 921 F CB -0.233 38.856 39.000 0.148 0.000 0.991 921 F HN -0.118 nan 8.300 nan 0.000 0.474 922 I N 0.408 120.896 120.570 -0.137 0.000 2.208 922 I HA -0.323 3.847 4.170 0.001 0.000 0.245 922 I C 2.728 178.601 176.117 -0.407 0.000 1.097 922 I CA 1.251 62.407 61.300 -0.239 0.000 1.363 922 I CB -1.049 36.991 38.000 0.067 0.000 1.051 922 I HN 0.261 nan 8.210 nan 0.000 0.413 923 A N 0.450 123.052 122.820 -0.363 0.000 1.865 923 A HA -0.219 4.102 4.320 0.001 0.000 0.217 923 A C 2.237 179.062 177.584 -1.265 0.000 1.191 923 A CA 1.652 53.218 52.037 -0.785 0.000 0.623 923 A CB -0.511 18.292 19.000 -0.327 0.000 0.826 923 A HN 0.332 nan 8.150 nan 0.000 0.444 924 E N -0.184 119.616 120.200 -0.667 0.000 2.204 924 E HA -0.188 4.162 4.350 0.001 0.000 0.195 924 E C 1.783 177.894 176.600 -0.816 0.000 0.990 924 E CA 1.281 57.262 56.400 -0.697 0.000 0.821 924 E CB -0.513 28.916 29.700 -0.452 0.000 0.750 924 E HN 0.745 nan 8.360 nan 0.000 0.477 925 N N 1.024 119.367 118.700 -0.596 0.000 2.058 925 N HA -0.156 4.584 4.740 0.001 0.000 0.191 925 N C 1.912 177.210 175.510 -0.353 0.000 1.037 925 N CA 1.949 54.788 53.050 -0.352 0.000 0.848 925 N CB -0.362 37.849 38.487 -0.461 0.000 1.021 925 N HN 0.383 nan 8.380 nan 0.000 0.422 926 W N -0.821 120.215 121.300 -0.441 0.000 2.467 926 W HA 0.011 4.672 4.660 0.001 0.000 0.275 926 W C 1.549 177.880 176.519 -0.314 0.000 1.239 926 W CA 0.064 57.181 57.345 -0.379 0.000 1.266 926 W CB -0.686 28.512 29.460 -0.437 0.000 1.112 926 W HN 0.147 nan 8.180 nan 0.000 0.576 927 M N 3.237 122.504 119.600 -0.555 0.000 2.229 927 M HA -0.142 4.338 4.480 0.001 0.000 0.264 927 M C 2.449 178.533 176.300 -0.361 0.000 1.063 927 M CA 2.533 57.521 55.300 -0.520 0.000 1.114 927 M CB -0.756 31.273 32.600 -0.953 0.000 1.387 927 M HN 0.052 nan 8.290 nan 0.000 0.420 928 S N -0.887 114.593 115.700 -0.366 0.000 2.406 928 S HA -0.081 4.389 4.470 0.001 0.000 0.228 928 S C 1.694 176.216 174.600 -0.130 0.000 1.020 928 S CA 1.181 59.237 58.200 -0.240 0.000 0.965 928 S CB -0.708 62.368 63.200 -0.206 0.000 0.798 928 S HN 0.686 nan 8.310 nan 0.000 0.488 929 E N 0.784 120.923 120.200 -0.101 0.000 2.216 929 E HA 0.019 4.370 4.350 0.001 0.000 0.192 929 E C 1.991 178.525 176.600 -0.111 0.000 0.988 929 E CA 0.805 57.180 56.400 -0.042 0.000 0.834 929 E CB -0.193 29.541 29.700 0.055 0.000 0.772 929 E HN 0.389 nan 8.360 nan 0.000 0.479 930 V N 1.485 121.241 119.914 -0.263 0.000 2.358 930 V HA -0.248 3.872 4.120 0.001 0.000 0.246 930 V C 2.324 178.218 176.094 -0.332 0.000 1.047 930 V CA 1.861 63.776 62.300 -0.641 0.000 1.035 930 V CB -0.575 30.796 31.823 -0.753 0.000 0.658 930 V HN 0.301 nan 8.190 nan 0.000 0.452 931 A N -0.237 122.470 122.820 -0.189 0.000 1.873 931 A HA -0.151 4.170 4.320 0.001 0.000 0.215 931 A C 2.402 179.979 177.584 -0.011 0.000 1.186 931 A CA 2.027 54.018 52.037 -0.078 0.000 0.616 931 A CB -0.728 18.237 19.000 -0.058 0.000 0.823 931 A HN 0.305 nan 8.150 nan 0.000 0.442 932 V N -0.163 119.747 119.914 -0.007 0.000 2.287 932 V HA -0.248 3.873 4.120 0.001 0.000 0.248 932 V C 2.772 178.906 176.094 0.068 0.000 1.053 932 V CA 2.551 64.874 62.300 0.037 0.000 1.027 932 V CB -1.242 30.602 31.823 0.037 0.000 0.646 932 V HN 0.618 nan 8.190 nan 0.000 0.447 933 T N -1.306 113.297 114.554 0.082 0.000 2.746 933 T HA -0.227 4.124 4.350 0.001 0.000 0.267 933 T C 1.810 176.619 174.700 0.182 0.000 1.039 933 T CA 1.951 64.150 62.100 0.164 0.000 1.142 933 T CB -0.462 68.588 68.868 0.302 0.000 0.866 933 T HN 0.550 nan 8.240 nan 0.000 0.444 934 C N 0.670 120.072 119.300 0.171 0.000 2.481 934 C HA 0.386 4.846 4.460 0.001 0.000 0.275 934 C C 2.174 177.226 174.990 0.103 0.000 1.419 934 C CA -0.133 58.983 59.018 0.163 0.000 1.773 934 C CB -1.376 26.456 27.740 0.152 0.000 1.862 934 C HN 0.827 nan 8.230 nan 0.000 0.530 935 G N 0.686 109.537 108.800 0.084 0.000 2.198 935 G HA2 -0.242 3.718 3.960 0.001 0.000 0.260 935 G HA3 -0.242 3.718 3.960 0.001 0.000 0.260 935 G C -0.185 174.756 174.900 0.068 0.000 1.025 935 G CA 0.137 45.280 45.100 0.071 0.000 0.769 935 G HN 0.535 nan 8.290 nan 0.000 0.507 936 L N -0.629 120.634 121.223 0.068 0.000 2.322 936 L HA 0.539 4.879 4.340 0.001 0.000 0.269 936 L C -2.010 174.909 176.870 0.081 0.000 1.012 936 L CA -2.658 52.225 54.840 0.073 0.000 0.815 936 L CB 1.794 43.897 42.059 0.072 0.000 1.295 936 L HN -0.170 nan 8.230 nan 0.000 0.438 937 P HA 0.008 nan 4.420 nan 0.000 0.264 937 P C 0.092 177.472 177.300 0.133 0.000 1.193 937 P CA 0.099 63.283 63.100 0.140 0.000 0.763 937 P CB 0.970 32.783 31.700 0.187 0.000 0.810 938 A N 4.902 127.797 122.820 0.125 0.000 1.917 938 A HA -0.234 4.086 4.320 0.001 0.000 0.219 938 A C 1.931 179.599 177.584 0.139 0.000 1.182 938 A CA 1.809 53.898 52.037 0.088 0.000 0.633 938 A CB -0.912 18.133 19.000 0.075 0.000 0.819 938 A HN 0.658 nan 8.150 nan 0.000 0.448 939 E N 0.361 120.690 120.200 0.215 0.000 2.204 939 E HA -0.225 4.126 4.350 0.001 0.000 0.194 939 E C 1.701 178.535 176.600 0.390 0.000 0.989 939 E CA 1.487 58.088 56.400 0.336 0.000 0.824 939 E CB -0.550 29.209 29.700 0.098 0.000 0.756 939 E HN 0.789 nan 8.360 nan 0.000 0.477 940 E N 0.759 121.128 120.200 0.281 0.000 2.046 940 E HA -0.101 4.249 4.350 0.001 0.000 0.190 940 E C 2.200 178.923 176.600 0.205 0.000 0.982 940 E CA 1.216 57.774 56.400 0.263 0.000 0.800 940 E CB 0.244 30.062 29.700 0.197 0.000 0.756 940 E HN 0.160 nan 8.360 nan 0.000 0.449 941 V N 1.230 121.210 119.914 0.110 0.000 2.427 941 V HA -0.229 3.891 4.120 0.001 0.000 0.248 941 V C 2.402 178.449 176.094 -0.079 0.000 1.051 941 V CA 1.797 64.100 62.300 0.004 0.000 1.048 941 V CB -0.508 31.282 31.823 -0.054 0.000 0.666 941 V HN 0.233 nan 8.190 nan 0.000 0.456 942 R N -0.981 119.488 120.500 -0.053 0.000 2.075 942 R HA -0.178 4.163 4.340 0.001 0.000 0.232 942 R C 2.263 178.494 176.300 -0.115 0.000 1.126 942 R CA 1.838 57.844 56.100 -0.157 0.000 0.963 942 R CB -0.453 29.845 30.300 -0.004 0.000 0.858 942 R HN 0.718 nan 8.270 nan 0.000 0.435 943 W N 3.738 124.897 121.300 -0.235 0.000 2.335 943 W HA -0.246 4.414 4.660 0.001 0.000 0.311 943 W C 1.478 177.908 176.519 -0.149 0.000 1.213 943 W CA 1.882 59.050 57.345 -0.295 0.000 1.274 943 W CB -0.021 29.374 29.460 -0.108 0.000 1.148 943 W HN 0.058 nan 8.180 nan 0.000 0.498 944 K N -0.258 120.071 120.400 -0.119 0.000 2.362 944 K HA -0.110 4.210 4.320 0.001 0.000 0.200 944 K C 1.268 177.726 176.600 -0.237 0.000 1.046 944 K CA 1.388 57.558 56.287 -0.195 0.000 0.952 944 K CB -0.588 31.912 32.500 -0.000 0.000 0.753 944 K HN 0.014 nan 8.250 nan 0.000 0.466 945 N N 0.487 119.058 118.700 -0.215 0.000 2.280 945 N HA 0.071 4.812 4.740 0.001 0.000 0.192 945 N C 0.012 175.435 175.510 -0.145 0.000 1.109 945 N CA 0.017 52.957 53.050 -0.183 0.000 0.855 945 N CB 0.255 38.605 38.487 -0.229 0.000 0.974 945 N HN 0.284 nan 8.380 nan 0.000 0.482 946 M N 0.844 120.314 119.600 -0.216 0.000 2.245 946 M HA 0.030 4.510 4.480 0.001 0.000 0.344 946 M C -0.295 175.822 176.300 -0.305 0.000 1.170 946 M CA -0.125 55.032 55.300 -0.237 0.000 1.135 946 M CB 0.551 32.902 32.600 -0.415 0.000 1.574 946 M HN 0.012 nan 8.290 nan 0.000 0.452 947 Y N 3.657 123.769 120.300 -0.313 0.000 2.459 947 Y HA 0.068 4.619 4.550 0.001 0.000 0.349 947 Y C 0.408 175.973 175.900 -0.559 0.000 1.266 947 Y CA 0.312 58.077 58.100 -0.559 0.000 1.483 947 Y CB 0.506 38.342 38.460 -1.041 0.000 1.362 947 Y HN 0.452 nan 8.280 nan 0.000 0.628 948 K N 0.352 120.561 120.400 -0.318 0.000 2.395 948 K HA 0.419 4.740 4.320 0.001 0.000 0.247 948 K C -1.200 175.250 176.600 -0.250 0.000 0.973 948 K CA -1.250 54.908 56.287 -0.214 0.000 0.828 948 K CB 1.632 34.042 32.500 -0.149 0.000 1.272 948 K HN 0.404 nan 8.250 nan 0.000 0.439 949 E N 0.405 120.553 120.200 -0.086 0.000 2.694 949 E HA 0.063 4.414 4.350 0.001 0.000 0.250 949 E C 0.839 177.372 176.600 -0.111 0.000 0.963 949 E CA 2.302 58.665 56.400 -0.063 0.000 0.949 949 E CB -0.340 29.365 29.700 0.008 0.000 0.911 949 E HN 0.830 nan 8.360 nan 0.000 0.500 950 G N 4.012 112.726 108.800 -0.143 0.000 2.213 950 G HA2 -0.240 3.721 3.960 0.001 0.000 0.236 950 G HA3 -0.240 3.721 3.960 0.001 0.000 0.236 950 G C 0.058 174.854 174.900 -0.173 0.000 0.991 950 G CA 0.011 45.035 45.100 -0.128 0.000 0.629 950 G HN 0.627 nan 8.290 nan 0.000 0.517 951 D N 0.437 120.690 120.400 -0.244 0.000 2.362 951 D HA 0.464 5.105 4.640 0.001 0.000 0.238 951 D C 1.037 177.152 176.300 -0.308 0.000 1.212 951 D CA 0.268 54.130 54.000 -0.229 0.000 0.902 951 D CB 0.650 41.346 40.800 -0.173 0.000 1.180 951 D HN 0.319 nan 8.370 nan 0.000 0.445 952 L N 0.731 121.816 121.223 -0.231 0.000 2.325 952 L HA 0.295 4.636 4.340 0.001 0.000 0.278 952 L C 1.172 177.857 176.870 -0.309 0.000 1.023 952 L CA -0.776 53.898 54.840 -0.277 0.000 0.811 952 L CB 1.671 43.629 42.059 -0.169 0.000 1.249 952 L HN 0.441 nan 8.230 nan 0.000 0.431 953 T N -3.201 111.038 114.554 -0.525 0.000 2.732 953 T HA 0.063 4.414 4.350 0.001 0.000 0.287 953 T C 1.381 175.944 174.700 -0.229 0.000 0.993 953 T CA -0.328 61.486 62.100 -0.476 0.000 0.966 953 T CB 0.485 68.697 68.868 -1.092 0.000 1.047 953 T HN 0.730 nan 8.240 nan 0.000 0.527 954 H N 0.183 119.183 119.070 -0.117 0.000 2.489 954 H HA -0.026 4.530 4.556 0.001 0.000 0.293 954 H C 1.203 176.580 175.328 0.081 0.000 1.066 954 H CA 1.048 57.115 56.048 0.031 0.000 1.305 954 H CB -0.882 28.964 29.762 0.140 0.000 1.386 954 H HN 0.767 nan 8.280 nan 0.000 0.551 955 F N 0.403 120.130 119.950 -0.372 0.000 2.660 955 F HA 0.398 4.926 4.527 0.001 0.000 0.297 955 F C 0.007 175.786 175.800 -0.035 0.000 1.132 955 F CA -0.980 56.891 58.000 -0.216 0.000 1.372 955 F CB -0.235 38.495 39.000 -0.451 0.000 1.003 955 F HN -0.152 nan 8.300 nan 0.000 0.524 956 N N 1.325 119.896 118.700 -0.216 0.000 2.747 956 N HA -0.265 4.475 4.740 0.001 0.000 0.249 956 N C -0.276 175.135 175.510 -0.165 0.000 1.107 956 N CA 0.974 53.937 53.050 -0.146 0.000 0.707 956 N CB -1.162 37.322 38.487 -0.005 0.000 1.054 956 N HN 0.760 nan 8.380 nan 0.000 0.555 957 Q N 0.321 119.900 119.800 -0.368 0.000 2.256 957 Q HA 0.336 4.676 4.340 0.001 0.000 0.257 957 Q C 0.036 175.903 176.000 -0.221 0.000 0.936 957 Q CA -0.655 55.046 55.803 -0.171 0.000 0.903 957 Q CB 1.406 30.158 28.738 0.023 0.000 1.263 957 Q HN 0.199 nan 8.270 nan 0.000 0.440 958 R N 3.744 124.179 120.500 -0.109 0.000 2.442 958 R HA 0.161 4.502 4.340 0.001 0.000 0.291 958 R C -0.761 175.466 176.300 -0.122 0.000 1.069 958 R CA -0.069 55.950 56.100 -0.134 0.000 1.022 958 R CB 0.343 30.601 30.300 -0.069 0.000 0.976 958 R HN 0.619 nan 8.270 nan 0.000 0.443 959 L N 5.314 126.385 121.223 -0.253 0.000 2.302 959 L HA 0.235 4.576 4.340 0.001 0.000 0.285 959 L C -0.164 176.670 176.870 -0.059 0.000 1.090 959 L CA 0.031 54.728 54.840 -0.238 0.000 0.866 959 L CB 0.810 42.518 42.059 -0.586 0.000 1.244 959 L HN 0.560 nan 8.230 nan 0.000 0.435 960 E N 2.218 122.462 120.200 0.074 0.000 2.197 960 E HA 0.421 4.771 4.350 0.001 0.000 0.281 960 E C 0.687 177.378 176.600 0.152 0.000 0.995 960 E CA -0.286 56.163 56.400 0.083 0.000 0.808 960 E CB 1.631 31.372 29.700 0.067 0.000 1.093 960 E HN 0.702 nan 8.360 nan 0.000 0.394 961 G N 3.199 112.066 108.800 0.111 0.000 2.225 961 G HA2 -0.303 3.657 3.960 0.001 0.000 0.264 961 G HA3 -0.303 3.657 3.960 0.001 0.000 0.264 961 G C -0.321 174.651 174.900 0.120 0.000 1.060 961 G CA -0.335 44.833 45.100 0.113 0.000 0.833 961 G HN 0.506 nan 8.290 nan 0.000 0.498 962 F N 2.538 122.403 119.950 -0.141 0.000 2.490 962 F HA 0.430 4.957 4.527 0.001 0.000 0.357 962 F C 1.541 177.063 175.800 -0.462 0.000 1.166 962 F CA -0.084 57.646 58.000 -0.450 0.000 1.116 962 F CB 0.511 39.299 39.000 -0.353 0.000 1.171 962 F HN 0.286 nan 8.300 nan 0.000 0.576 963 S N 2.692 117.837 115.700 -0.925 0.000 2.575 963 S HA -0.005 4.465 4.470 0.001 0.000 0.215 963 S C 1.723 175.972 174.600 -0.584 0.000 0.966 963 S CA 0.373 58.258 58.200 -0.526 0.000 0.911 963 S CB -0.436 62.647 63.200 -0.194 0.000 0.780 963 S HN 0.415 nan 8.310 nan 0.000 0.514 964 V N 3.080 122.313 119.914 -1.136 0.000 2.278 964 V HA -0.138 3.983 4.120 0.001 0.000 0.251 964 V C -0.282 175.698 176.094 -0.189 0.000 1.062 964 V CA 2.188 64.097 62.300 -0.651 0.000 1.038 964 V CB -1.836 29.439 31.823 -0.913 0.000 0.646 964 V HN 0.390 nan 8.190 nan 0.000 0.447 965 P HA -0.171 nan 4.420 nan 0.000 0.215 965 P C 1.787 179.223 177.300 0.226 0.000 1.157 965 P CA 1.613 64.840 63.100 0.211 0.000 0.874 965 P CB -0.119 31.701 31.700 0.199 0.000 0.790 966 R N -1.170 119.380 120.500 0.082 0.000 2.073 966 R HA -0.103 4.237 4.340 0.001 0.000 0.234 966 R C 2.353 178.706 176.300 0.088 0.000 1.134 966 R CA 1.701 57.846 56.100 0.076 0.000 0.952 966 R CB -1.308 29.008 30.300 0.026 0.000 0.850 966 R HN 0.252 nan 8.270 nan 0.000 0.433 967 C N -0.331 119.014 119.300 0.075 0.000 2.429 967 C HA -0.140 4.320 4.460 0.001 0.000 0.277 967 C C 2.394 177.471 174.990 0.145 0.000 1.262 967 C CA 0.064 59.137 59.018 0.092 0.000 1.733 967 C CB -1.096 26.699 27.740 0.092 0.000 2.010 967 C HN 0.667 nan 8.230 nan 0.000 0.483 968 W N 2.118 123.421 121.300 0.005 0.000 2.354 968 W HA -0.116 4.545 4.660 0.001 0.000 0.315 968 W C 1.882 178.383 176.519 -0.029 0.000 1.206 968 W CA 1.736 59.091 57.345 0.017 0.000 1.290 968 W CB -0.566 28.968 29.460 0.124 0.000 1.152 968 W HN 0.392 nan 8.180 nan 0.000 0.489 969 D N 0.230 120.745 120.400 0.191 0.000 2.097 969 D HA -0.196 4.445 4.640 0.001 0.000 0.195 969 D C 1.924 178.197 176.300 -0.044 0.000 0.989 969 D CA 1.708 55.722 54.000 0.024 0.000 0.827 969 D CB -0.507 40.328 40.800 0.058 0.000 0.966 969 D HN 0.403 nan 8.370 nan 0.000 0.456 970 E N 0.174 120.370 120.200 -0.007 0.000 2.110 970 E HA -0.149 4.202 4.350 0.001 0.000 0.193 970 E C 2.283 178.846 176.600 -0.062 0.000 0.988 970 E CA 0.531 56.917 56.400 -0.023 0.000 0.804 970 E CB -0.207 29.494 29.700 0.001 0.000 0.745 970 E HN 0.240 nan 8.360 nan 0.000 0.458 971 C N 0.965 120.207 119.300 -0.097 0.000 2.432 971 C HA -0.097 4.364 4.460 0.001 0.000 0.277 971 C C 2.653 177.517 174.990 -0.211 0.000 1.249 971 C CA 0.505 59.437 59.018 -0.143 0.000 1.725 971 C CB -1.055 26.581 27.740 -0.175 0.000 2.028 971 C HN 0.371 nan 8.230 nan 0.000 0.477 972 L N 0.792 121.809 121.223 -0.342 0.000 2.043 972 L HA -0.214 4.127 4.340 0.001 0.000 0.212 972 L C 2.731 179.514 176.870 -0.145 0.000 1.075 972 L CA 2.242 56.864 54.840 -0.363 0.000 0.752 972 L CB -0.730 41.052 42.059 -0.462 0.000 0.891 972 L HN 0.450 nan 8.230 nan 0.000 0.432 973 K N 0.062 120.408 120.400 -0.090 0.000 1.984 973 K HA -0.174 4.146 4.320 0.001 0.000 0.209 973 K C 2.354 178.940 176.600 -0.023 0.000 1.046 973 K CA 1.748 58.019 56.287 -0.026 0.000 0.934 973 K CB -0.071 32.419 32.500 -0.018 0.000 0.717 973 K HN 0.333 nan 8.250 nan 0.000 0.438 974 S N 0.142 115.822 115.700 -0.034 0.000 2.419 974 S HA -0.128 4.343 4.470 0.001 0.000 0.233 974 S C 1.943 176.531 174.600 -0.019 0.000 1.016 974 S CA 1.449 59.635 58.200 -0.022 0.000 0.974 974 S CB -0.351 62.836 63.200 -0.023 0.000 0.786 974 S HN 0.427 nan 8.310 nan 0.000 0.492 975 S N 0.497 116.177 115.700 -0.033 0.000 2.558 975 S HA 0.136 4.606 4.470 0.001 0.000 0.217 975 S C 0.648 175.241 174.600 -0.010 0.000 0.975 975 S CA 0.143 58.330 58.200 -0.021 0.000 0.912 975 S CB -0.739 62.442 63.200 -0.032 0.000 0.776 975 S HN 0.559 nan 8.310 nan 0.000 0.526 976 Q N -0.495 119.302 119.800 -0.006 0.000 2.453 976 Q HA -0.291 4.049 4.340 0.001 0.000 0.294 976 Q C 0.273 176.267 176.000 -0.009 0.000 1.295 976 Q CA 0.694 56.504 55.803 0.011 0.000 0.853 976 Q CB -2.336 26.406 28.738 0.007 0.000 1.193 976 Q HN 0.793 nan 8.270 nan 0.000 0.461 977 Y N -0.254 119.925 120.300 -0.201 0.000 2.030 977 Y HA -0.395 4.156 4.550 0.001 0.000 0.272 977 Y C 1.653 177.392 175.900 -0.268 0.000 1.185 977 Y CA 2.727 60.638 58.100 -0.316 0.000 1.120 977 Y CB -0.491 37.627 38.460 -0.569 0.000 0.955 977 Y HN 0.407 nan 8.280 nan 0.000 0.495 978 Y N -0.616 119.678 120.300 -0.009 0.000 2.145 978 Y HA -0.247 4.303 4.550 0.001 0.000 0.286 978 Y C 2.706 178.533 175.900 -0.122 0.000 1.145 978 Y CA 1.112 59.159 58.100 -0.088 0.000 1.148 978 Y CB -0.959 37.517 38.460 0.028 0.000 0.981 978 Y HN 0.255 nan 8.280 nan 0.000 0.507 979 A N 0.460 123.324 122.820 0.073 0.000 1.902 979 A HA -0.196 4.125 4.320 0.001 0.000 0.217 979 A C 2.172 179.732 177.584 -0.039 0.000 1.181 979 A CA 1.659 53.709 52.037 0.022 0.000 0.623 979 A CB -0.527 18.489 19.000 0.027 0.000 0.818 979 A HN 0.407 nan 8.150 nan 0.000 0.443 980 R N -0.806 119.638 120.500 -0.095 0.000 2.193 980 R HA -0.025 4.315 4.340 0.001 0.000 0.213 980 R C 2.129 178.327 176.300 -0.170 0.000 1.055 980 R CA 1.139 57.167 56.100 -0.119 0.000 0.995 980 R CB -0.169 30.057 30.300 -0.124 0.000 0.893 980 R HN 0.577 nan 8.270 nan 0.000 0.459 981 K N 0.435 120.677 120.400 -0.264 0.000 2.209 981 K HA -0.064 4.257 4.320 0.001 0.000 0.204 981 K C 1.646 178.181 176.600 -0.109 0.000 1.048 981 K CA 1.314 57.439 56.287 -0.270 0.000 0.940 981 K CB 0.190 32.461 32.500 -0.381 0.000 0.729 981 K HN -0.009 nan 8.250 nan 0.000 0.451 982 S N 0.788 116.449 115.700 -0.064 0.000 2.395 982 S HA -0.103 4.367 4.470 0.001 0.000 0.225 982 S C 1.638 176.235 174.600 -0.004 0.000 1.027 982 S CA 0.747 58.936 58.200 -0.018 0.000 0.965 982 S CB -0.110 63.088 63.200 -0.002 0.000 0.812 982 S HN 0.387 nan 8.310 nan 0.000 0.482 983 E N 1.734 121.926 120.200 -0.013 0.000 2.077 983 E HA -0.125 4.226 4.350 0.001 0.000 0.193 983 E C 2.029 178.652 176.600 0.038 0.000 0.989 983 E CA 1.063 57.471 56.400 0.012 0.000 0.800 983 E CB -0.251 29.444 29.700 -0.009 0.000 0.746 983 E HN 0.302 nan 8.360 nan 0.000 0.452 984 V N 2.230 122.140 119.914 -0.006 0.000 2.295 984 V HA -0.254 3.866 4.120 0.001 0.000 0.246 984 V C 2.151 178.294 176.094 0.081 0.000 1.049 984 V CA 2.233 64.542 62.300 0.015 0.000 1.024 984 V CB -0.564 31.233 31.823 -0.043 0.000 0.648 984 V HN 0.230 nan 8.190 nan 0.000 0.447 985 D N -0.242 120.183 120.400 0.042 0.000 2.123 985 D HA -0.205 4.436 4.640 0.001 0.000 0.196 985 D C 2.152 178.487 176.300 0.059 0.000 0.992 985 D CA 1.535 55.563 54.000 0.045 0.000 0.833 985 D CB -0.179 40.634 40.800 0.022 0.000 0.954 985 D HN 0.439 nan 8.370 nan 0.000 0.455 986 K N -0.045 120.393 120.400 0.063 0.000 2.026 986 K HA -0.164 4.157 4.320 0.001 0.000 0.208 986 K C 2.191 178.836 176.600 0.075 0.000 1.048 986 K CA 0.755 57.075 56.287 0.055 0.000 0.929 986 K CB -0.323 32.209 32.500 0.054 0.000 0.713 986 K HN 0.031 nan 8.250 nan 0.000 0.439 987 F N 2.288 122.229 119.950 -0.015 0.000 2.126 987 F HA -0.230 4.298 4.527 0.001 0.000 0.299 987 F C 1.684 177.477 175.800 -0.011 0.000 1.096 987 F CA 1.668 59.661 58.000 -0.011 0.000 1.255 987 F CB -0.200 38.791 39.000 -0.015 0.000 0.997 987 F HN 0.157 nan 8.300 nan 0.000 0.479 988 N N 0.613 119.409 118.700 0.160 0.000 2.309 988 N HA -0.127 4.613 4.740 0.001 0.000 0.182 988 N C 1.586 177.059 175.510 -0.062 0.000 1.018 988 N CA 1.143 54.226 53.050 0.054 0.000 0.876 988 N CB -0.294 38.247 38.487 0.090 0.000 0.972 988 N HN 0.436 nan 8.380 nan 0.000 0.434 989 K N 0.783 121.150 120.400 -0.055 0.000 2.167 989 K HA 0.024 4.344 4.320 0.001 0.000 0.203 989 K C 1.148 177.686 176.600 -0.102 0.000 1.052 989 K CA 0.744 56.990 56.287 -0.067 0.000 0.956 989 K CB 0.103 32.581 32.500 -0.037 0.000 0.735 989 K HN 0.325 nan 8.250 nan 0.000 0.451 990 E N 0.516 120.626 120.200 -0.150 0.000 2.489 990 E HA 0.051 4.402 4.350 0.001 0.000 0.193 990 E C -0.160 176.291 176.600 -0.248 0.000 1.057 990 E CA 0.106 56.402 56.400 -0.173 0.000 0.866 990 E CB 0.225 29.824 29.700 -0.170 0.000 0.916 990 E HN 0.199 nan 8.360 nan 0.000 0.500 991 N N 0.194 118.697 118.700 -0.327 0.000 2.410 991 N HA 0.082 4.823 4.740 0.001 0.000 0.287 991 N C -0.574 174.806 175.510 -0.217 0.000 1.044 991 N CA -0.234 52.624 53.050 -0.319 0.000 0.881 991 N CB 1.937 40.042 38.487 -0.636 0.000 1.405 991 N HN -0.023 nan 8.380 nan 0.000 0.490 992 C N 1.702 120.873 119.300 -0.215 0.000 2.504 992 C HA 0.200 4.660 4.460 0.001 0.000 0.279 992 C C 0.881 175.477 174.990 -0.656 0.000 1.358 992 C CA -0.055 58.680 59.018 -0.472 0.000 1.747 992 C CB -0.624 26.757 27.740 -0.599 0.000 2.037 992 C HN 0.854 nan 8.230 nan 0.000 0.503 993 W N 1.533 122.849 121.300 0.026 0.000 2.966 993 W HA 0.440 5.100 4.660 0.001 0.000 0.406 993 W C 0.344 176.905 176.519 0.070 0.000 1.027 993 W CA -0.317 57.056 57.345 0.047 0.000 1.930 993 W CB 0.140 29.597 29.460 -0.004 0.000 1.144 993 W HN 0.018 nan 8.180 nan 0.000 0.626 994 K N 1.214 121.730 120.400 0.194 0.000 2.523 994 K HA 0.431 4.752 4.320 0.001 0.000 0.257 994 K C -0.457 176.325 176.600 0.303 0.000 0.932 994 K CA -0.938 55.506 56.287 0.261 0.000 0.812 994 K CB 2.567 35.267 32.500 0.334 0.000 1.326 994 K HN -0.397 nan 8.250 nan 0.000 0.433 995 K N 2.157 122.744 120.400 0.310 0.000 2.508 995 K HA 0.504 4.824 4.320 0.001 0.000 0.260 995 K C -0.732 175.978 176.600 0.183 0.000 0.949 995 K CA -0.823 55.636 56.287 0.286 0.000 0.834 995 K CB 2.472 35.056 32.500 0.140 0.000 1.365 995 K HN 0.544 nan 8.250 nan 0.000 0.437 996 R N -0.208 120.367 120.500 0.125 0.000 2.778 996 R HA 0.732 5.073 4.340 0.001 0.000 0.277 996 R C -0.075 176.223 176.300 -0.004 0.000 0.977 996 R CA -1.034 55.034 56.100 -0.052 0.000 0.950 996 R CB 2.056 32.199 30.300 -0.261 0.000 1.165 996 R HN 0.757 nan 8.270 nan 0.000 0.474 997 G N 1.014 109.801 108.800 -0.022 0.000 2.612 997 G HA2 0.606 4.567 3.960 0.001 0.000 0.298 997 G HA3 0.606 4.567 3.960 0.001 0.000 0.298 997 G C -2.032 172.867 174.900 -0.002 0.000 1.336 997 G CA -0.425 44.677 45.100 0.004 0.000 0.953 997 G HN 0.336 nan 8.290 nan 0.000 0.482 998 L N 0.717 121.950 121.223 0.016 0.000 2.436 998 L HA 0.840 5.180 4.340 0.001 0.000 0.268 998 L C -1.033 175.909 176.870 0.120 0.000 0.974 998 L CA -0.619 54.238 54.840 0.028 0.000 0.826 998 L CB 1.905 43.917 42.059 -0.079 0.000 1.291 998 L HN 0.801 nan 8.230 nan 0.000 0.406 999 C N 5.679 125.078 119.300 0.165 0.000 2.891 999 C HA 0.653 5.114 4.460 0.001 0.000 0.342 999 C C -1.219 173.848 174.990 0.129 0.000 1.126 999 C CA -0.827 58.303 59.018 0.187 0.000 1.322 999 C CB 0.837 28.691 27.740 0.190 0.000 1.763 999 C HN 0.920 nan 8.230 nan 0.000 0.491 1000 I N 7.040 127.626 120.570 0.026 0.000 2.406 1000 I HA 0.692 4.863 4.170 0.001 0.000 0.290 1000 I C -1.245 174.898 176.117 0.044 0.000 0.999 1000 I CA -0.507 60.714 61.300 -0.133 0.000 1.124 1000 I CB 0.832 38.450 38.000 -0.635 0.000 1.289 1000 I HN 0.540 nan 8.210 nan 0.000 0.441 1001 I N 9.146 129.798 120.570 0.137 0.000 2.608 1001 I HA 0.597 4.768 4.170 0.001 0.000 0.295 1001 I C -2.556 173.770 176.117 0.348 0.000 1.049 1001 I CA -2.075 59.385 61.300 0.268 0.000 1.063 1001 I CB 2.010 40.102 38.000 0.153 0.000 1.248 1001 I HN 0.394 nan 8.210 nan 0.000 0.424 1002 P HA 0.555 nan 4.420 nan 0.000 0.293 1002 P C -0.888 176.586 177.300 0.289 0.000 1.305 1002 P CA -0.470 62.828 63.100 0.331 0.000 0.874 1002 P CB 3.175 35.020 31.700 0.242 0.000 1.288 1003 T N -1.481 113.234 114.554 0.268 0.000 2.893 1003 T HA 0.503 4.853 4.350 0.001 0.000 0.337 1003 T C -1.944 172.938 174.700 0.302 0.000 1.587 1003 T CA -0.696 61.586 62.100 0.303 0.000 1.066 1003 T CB 0.972 70.107 68.868 0.446 0.000 1.414 1003 T HN 0.719 nan 8.240 nan 0.000 0.488 1004 K N 2.223 122.800 120.400 0.295 0.000 2.498 1004 K HA 0.757 5.077 4.320 0.001 0.000 0.254 1004 K C -2.072 174.730 176.600 0.337 0.000 0.933 1004 K CA -0.895 55.551 56.287 0.265 0.000 0.806 1004 K CB 1.984 34.685 32.500 0.336 0.000 1.301 1004 K HN 0.411 nan 8.250 nan 0.000 0.432 1005 F N 1.474 121.456 119.950 0.053 0.000 2.536 1005 F HA 0.477 5.004 4.527 0.001 0.000 0.322 1005 F C -0.075 175.603 175.800 -0.203 0.000 1.144 1005 F CA -0.284 57.741 58.000 0.042 0.000 0.924 1005 F CB 2.098 41.046 39.000 -0.087 0.000 1.181 1005 F HN 0.813 nan 8.300 nan 0.000 0.438 1006 G N 6.656 114.993 108.800 -0.772 0.000 2.361 1006 G HA2 0.405 4.366 3.960 0.001 0.000 0.260 1006 G HA3 0.405 4.366 3.960 0.001 0.000 0.260 1006 G C -0.643 173.417 174.900 -1.400 0.000 1.261 1006 G CA -0.425 43.478 45.100 -1.995 0.000 0.897 1006 G HN 0.471 nan 8.290 nan 0.000 0.499 1007 I N 1.605 121.596 120.570 -0.966 0.000 2.315 1007 I HA 0.515 4.685 4.170 0.001 0.000 0.291 1007 I C 0.373 176.305 176.117 -0.308 0.000 1.006 1007 I CA -0.152 60.802 61.300 -0.577 0.000 1.265 1007 I CB 0.136 37.597 38.000 -0.897 0.000 1.387 1007 I HN 0.457 nan 8.210 nan 0.000 0.475 1008 S N 4.645 120.237 115.700 -0.179 0.000 2.899 1008 S HA 0.117 4.588 4.470 0.001 0.000 0.249 1008 S C -0.645 173.896 174.600 -0.099 0.000 0.652 1008 S CA -0.930 57.203 58.200 -0.112 0.000 1.024 1008 S CB -0.059 63.111 63.200 -0.051 0.000 1.275 1008 S HN 0.318 nan 8.310 nan 0.000 0.563 1009 F N 2.279 122.159 119.950 -0.118 0.000 2.602 1009 F HA 0.101 4.628 4.527 0.001 0.000 0.367 1009 F C 2.380 178.101 175.800 -0.132 0.000 1.126 1009 F CA 1.113 59.027 58.000 -0.143 0.000 1.321 1009 F CB 0.663 39.567 39.000 -0.160 0.000 1.094 1009 F HN 0.800 nan 8.300 nan 0.000 0.594 1010 T N -1.178 113.447 114.554 0.118 0.000 3.007 1010 T HA -0.022 4.329 4.350 0.001 0.000 0.270 1010 T C 0.490 175.228 174.700 0.062 0.000 1.107 1010 T CA 0.370 62.534 62.100 0.107 0.000 1.118 1010 T CB -0.487 68.552 68.868 0.284 0.000 0.889 1010 T HN 0.180 nan 8.240 nan 0.000 0.506 1011 V N 3.680 123.593 119.914 -0.001 0.000 2.333 1011 V HA 0.245 4.365 4.120 0.001 0.000 0.274 1011 V C -1.358 174.567 176.094 -0.282 0.000 1.028 1011 V CA -1.785 60.381 62.300 -0.223 0.000 0.851 1011 V CB 1.344 32.893 31.823 -0.456 0.000 1.000 1011 V HN 0.122 nan 8.190 nan 0.000 0.456 1012 P HA -0.220 nan 4.420 nan 0.000 0.217 1012 P C 1.536 178.781 177.300 -0.091 0.000 1.162 1012 P CA 1.638 64.667 63.100 -0.118 0.000 0.901 1012 P CB -0.035 31.636 31.700 -0.049 0.000 0.793 1013 F N -1.747 118.172 119.950 -0.053 0.000 2.641 1013 F HA 0.033 4.561 4.527 0.001 0.000 0.298 1013 F C 1.482 177.198 175.800 -0.139 0.000 1.146 1013 F CA 0.662 58.617 58.000 -0.076 0.000 1.464 1013 F CB -1.785 37.185 39.000 -0.051 0.000 1.101 1013 F HN -0.148 nan 8.300 nan 0.000 0.585 1014 L N 0.512 121.626 121.223 -0.183 0.000 2.492 1014 L HA 0.037 4.377 4.340 0.001 0.000 0.223 1014 L C 0.758 177.416 176.870 -0.354 0.000 1.132 1014 L CA 0.263 54.873 54.840 -0.383 0.000 0.850 1014 L CB -0.627 40.839 42.059 -0.988 0.000 0.966 1014 L HN 0.129 nan 8.230 nan 0.000 0.454 1015 N N 2.455 121.084 118.700 -0.119 0.000 3.303 1015 N HA 0.056 4.796 4.740 0.001 0.000 0.304 1015 N C -0.436 174.980 175.510 -0.157 0.000 1.302 1015 N CA 0.151 53.181 53.050 -0.034 0.000 1.213 1015 N CB 0.276 38.748 38.487 -0.026 0.000 1.481 1015 N HN 0.528 nan 8.380 nan 0.000 0.546 1016 Q N -0.895 118.795 119.800 -0.184 0.000 2.416 1016 Q HA 0.837 5.177 4.340 0.001 0.000 0.281 1016 Q C -1.760 174.026 176.000 -0.356 0.000 1.067 1016 Q CA -1.266 54.343 55.803 -0.324 0.000 0.809 1016 Q CB 2.274 30.938 28.738 -0.124 0.000 1.418 1016 Q HN 0.062 nan 8.270 nan 0.000 0.411 1017 A N 0.587 123.050 122.820 -0.595 0.000 2.547 1017 A HA 0.891 5.212 4.320 0.001 0.000 0.297 1017 A C -0.910 176.554 177.584 -0.199 0.000 1.056 1017 A CA -0.153 51.691 52.037 -0.323 0.000 0.688 1017 A CB 1.926 20.591 19.000 -0.558 0.000 1.282 1017 A HN 0.937 nan 8.150 nan 0.000 0.400 1018 G N -0.411 108.543 108.800 0.255 0.000 2.533 1018 G HA2 0.891 4.852 3.960 0.001 0.000 0.304 1018 G HA3 0.891 4.852 3.960 0.001 0.000 0.304 1018 G C -0.541 174.550 174.900 0.319 0.000 1.263 1018 G CA 0.009 45.330 45.100 0.367 0.000 0.964 1018 G HN 1.898 nan 8.290 nan 0.000 0.479 1019 A N -0.150 122.817 122.820 0.245 0.000 2.515 1019 A HA 0.842 5.162 4.320 0.001 0.000 0.296 1019 A C -1.825 175.814 177.584 0.091 0.000 1.094 1019 A CA -0.649 51.493 52.037 0.176 0.000 0.718 1019 A CB 2.162 21.264 19.000 0.169 0.000 1.307 1019 A HN 1.567 nan 8.150 nan 0.000 0.408 1020 L N 1.252 122.481 121.223 0.010 0.000 2.476 1020 L HA 0.766 5.107 4.340 0.001 0.000 0.269 1020 L C -1.630 175.104 176.870 -0.227 0.000 0.965 1020 L CA -0.094 54.685 54.840 -0.102 0.000 0.845 1020 L CB 1.275 43.264 42.059 -0.117 0.000 1.259 1020 L HN 0.613 nan 8.230 nan 0.000 0.403 1021 I N 4.613 125.028 120.570 -0.257 0.000 2.545 1021 I HA 0.471 4.641 4.170 0.001 0.000 0.292 1021 I C -0.966 174.968 176.117 -0.305 0.000 1.040 1021 I CA -0.756 60.398 61.300 -0.243 0.000 1.068 1021 I CB 1.823 39.790 38.000 -0.055 0.000 1.251 1021 I HN 0.547 nan 8.210 nan 0.000 0.424 1022 H N 4.997 124.027 119.070 -0.066 0.000 2.538 1022 H HA 0.517 5.073 4.556 0.001 0.000 0.353 1022 H C -0.953 174.221 175.328 -0.257 0.000 1.109 1022 H CA -0.747 55.166 56.048 -0.225 0.000 1.192 1022 H CB 2.622 32.128 29.762 -0.427 0.000 1.555 1022 H HN 0.161 nan 8.280 nan 0.000 0.518 1023 V N 4.486 124.330 119.914 -0.116 0.000 2.384 1023 V HA 0.207 4.327 4.120 0.001 0.000 0.287 1023 V C -0.394 175.583 176.094 -0.194 0.000 1.020 1023 V CA -0.762 61.517 62.300 -0.036 0.000 0.850 1023 V CB 0.351 32.223 31.823 0.082 0.000 0.987 1023 V HN 0.583 nan 8.190 nan 0.000 0.436 1024 Y N 1.831 122.173 120.300 0.070 0.000 2.334 1024 Y HA 0.207 4.758 4.550 0.001 0.000 0.325 1024 Y C 2.135 177.991 175.900 -0.074 0.000 1.308 1024 Y CA 0.147 58.235 58.100 -0.021 0.000 1.389 1024 Y CB 0.885 39.334 38.460 -0.019 0.000 1.328 1024 Y HN 0.759 nan 8.280 nan 0.000 0.532 1025 T N -3.232 111.319 114.554 -0.006 0.000 3.052 1025 T HA -0.174 4.177 4.350 0.001 0.000 0.270 1025 T C 0.705 175.367 174.700 -0.062 0.000 1.147 1025 T CA 1.341 63.355 62.100 -0.142 0.000 1.089 1025 T CB -0.391 68.269 68.868 -0.347 0.000 0.875 1025 T HN 0.751 nan 8.240 nan 0.000 0.541 1026 D N 0.067 120.477 120.400 0.017 0.000 2.349 1026 D HA 0.239 4.879 4.640 0.001 0.000 0.214 1026 D C 1.653 178.006 176.300 0.089 0.000 1.063 1026 D CA 0.459 54.475 54.000 0.026 0.000 0.847 1026 D CB -0.488 40.325 40.800 0.020 0.000 0.933 1026 D HN 0.530 nan 8.370 nan 0.000 0.513 1027 G N 0.704 109.580 108.800 0.127 0.000 2.217 1027 G HA2 -0.300 3.661 3.960 0.001 0.000 0.246 1027 G HA3 -0.300 3.661 3.960 0.001 0.000 0.246 1027 G C 0.430 175.596 174.900 0.442 0.000 0.990 1027 G CA 0.378 45.654 45.100 0.293 0.000 0.627 1027 G HN 0.826 nan 8.290 nan 0.000 0.522 1028 S N -0.287 115.585 115.700 0.286 0.000 2.562 1028 S HA 0.594 5.065 4.470 0.001 0.000 0.281 1028 S C 0.108 174.905 174.600 0.328 0.000 1.333 1028 S CA 0.047 58.403 58.200 0.260 0.000 1.052 1028 S CB 2.275 65.581 63.200 0.176 0.000 0.884 1028 S HN 1.135 nan 8.310 nan 0.000 0.506 1029 V N 3.593 123.668 119.914 0.268 0.000 2.495 1029 V HA 0.483 4.603 4.120 0.001 0.000 0.298 1029 V C -0.445 175.795 176.094 0.243 0.000 1.031 1029 V CA -0.854 61.590 62.300 0.241 0.000 0.871 1029 V CB 1.296 33.228 31.823 0.183 0.000 0.988 1029 V HN 0.878 nan 8.190 nan 0.000 0.432 1030 L N 6.625 127.997 121.223 0.249 0.000 2.276 1030 L HA 0.649 4.990 4.340 0.001 0.000 0.286 1030 L C -0.436 176.491 176.870 0.095 0.000 1.024 1030 L CA 0.131 55.123 54.840 0.254 0.000 0.826 1030 L CB 1.476 43.793 42.059 0.429 0.000 1.211 1030 L HN 0.454 nan 8.230 nan 0.000 0.422 1031 V N 4.003 123.947 119.914 0.050 0.000 2.472 1031 V HA 0.688 4.809 4.120 0.001 0.000 0.290 1031 V C 0.031 176.095 176.094 -0.050 0.000 1.037 1031 V CA -0.375 61.924 62.300 -0.002 0.000 0.908 1031 V CB 1.634 33.477 31.823 0.033 0.000 0.985 1031 V HN 0.842 nan 8.190 nan 0.000 0.454 1032 S N 3.206 118.870 115.700 -0.060 0.000 2.538 1032 S HA 0.821 5.292 4.470 0.001 0.000 0.288 1032 S C -1.024 173.552 174.600 -0.039 0.000 1.108 1032 S CA -0.579 57.549 58.200 -0.121 0.000 0.971 1032 S CB 1.082 64.217 63.200 -0.108 0.000 1.041 1032 S HN 1.111 nan 8.310 nan 0.000 0.483 1033 H N 0.128 119.136 119.070 -0.103 0.000 2.966 1033 H HA 0.641 5.198 4.556 0.001 0.000 0.330 1033 H C 0.965 176.144 175.328 -0.249 0.000 1.292 1033 H CA -0.445 55.532 56.048 -0.118 0.000 1.127 1033 H CB 0.605 30.297 29.762 -0.117 0.000 1.863 1033 H HN 0.564 nan 8.280 nan 0.000 0.543 1034 G N -0.335 108.358 108.800 -0.178 0.000 2.598 1034 G HA2 0.159 4.119 3.960 0.001 0.000 0.215 1034 G HA3 0.159 4.119 3.960 0.001 0.000 0.215 1034 G C 0.691 175.274 174.900 -0.529 0.000 1.131 1034 G CA 0.220 45.186 45.100 -0.223 0.000 0.785 1034 G HN 0.868 nan 8.290 nan 0.000 0.539 1035 G N -0.203 107.979 108.800 -1.031 0.000 2.507 1035 G HA2 0.466 4.426 3.960 0.001 0.000 0.271 1035 G HA3 0.466 4.426 3.960 0.001 0.000 0.271 1035 G C 0.015 174.801 174.900 -0.190 0.000 1.189 1035 G CA 0.375 45.173 45.100 -0.504 0.000 0.859 1035 G HN 0.387 nan 8.290 nan 0.000 0.542 1036 T N -1.609 112.872 114.554 -0.121 0.000 2.912 1036 T HA 0.579 4.929 4.350 0.001 0.000 0.288 1036 T C -0.546 174.003 174.700 -0.251 0.000 1.030 1036 T CA -0.830 61.183 62.100 -0.145 0.000 1.020 1036 T CB 2.333 71.144 68.868 -0.095 0.000 1.056 1036 T HN 0.454 nan 8.240 nan 0.000 0.480 1037 E N 2.001 122.014 120.200 -0.313 0.000 2.146 1037 E HA 0.439 4.789 4.350 0.001 0.000 0.282 1037 E C 0.360 176.881 176.600 -0.132 0.000 0.989 1037 E CA -0.695 55.523 56.400 -0.303 0.000 0.799 1037 E CB 0.817 30.329 29.700 -0.313 0.000 1.088 1037 E HN 0.778 nan 8.360 nan 0.000 0.397 1038 M N 2.392 121.920 119.600 -0.122 0.000 2.414 1038 M HA 0.493 4.974 4.480 0.001 0.000 0.357 1038 M C 0.790 177.030 176.300 -0.101 0.000 1.059 1038 M CA 0.135 55.354 55.300 -0.134 0.000 0.959 1038 M CB 0.850 33.311 32.600 -0.231 0.000 1.522 1038 M HN 0.586 nan 8.290 nan 0.000 0.551 1039 G N 1.720 110.523 108.800 0.006 0.000 2.211 1039 G HA2 -0.245 3.715 3.960 0.001 0.000 0.201 1039 G HA3 -0.245 3.715 3.960 0.001 0.000 0.201 1039 G C 0.826 175.790 174.900 0.108 0.000 0.997 1039 G CA 0.344 45.487 45.100 0.072 0.000 0.652 1039 G HN 0.600 nan 8.290 nan 0.000 0.500 1040 Q N 1.522 121.338 119.800 0.027 0.000 2.472 1040 Q HA 0.303 4.643 4.340 0.001 0.000 0.208 1040 Q C 1.593 177.597 176.000 0.006 0.000 0.958 1040 Q CA 1.455 57.266 55.803 0.013 0.000 0.932 1040 Q CB -0.388 28.329 28.738 -0.036 0.000 1.007 1040 Q HN 1.946 nan 8.270 nan 0.000 0.508 1041 G N 1.748 110.543 108.800 -0.007 0.000 2.182 1041 G HA2 -0.289 3.671 3.960 0.001 0.000 0.248 1041 G HA3 -0.289 3.671 3.960 0.001 0.000 0.248 1041 G C 0.312 175.099 174.900 -0.188 0.000 1.042 1041 G CA 0.396 45.370 45.100 -0.211 0.000 0.775 1041 G HN 0.404 nan 8.290 nan 0.000 0.501 1042 L N 0.026 121.144 121.223 -0.175 0.000 1.994 1042 L HA 0.054 4.394 4.340 0.001 0.000 0.208 1042 L C 2.571 179.392 176.870 -0.082 0.000 1.071 1042 L CA 2.853 57.608 54.840 -0.143 0.000 0.745 1042 L CB -0.520 41.438 42.059 -0.168 0.000 0.892 1042 L HN 0.393 nan 8.230 nan 0.000 0.431 1043 H N -0.873 118.167 119.070 -0.049 0.000 2.387 1043 H HA -0.099 4.457 4.556 0.001 0.000 0.299 1043 H C 2.165 177.434 175.328 -0.099 0.000 1.099 1043 H CA 1.793 57.826 56.048 -0.025 0.000 1.315 1043 H CB -0.956 28.767 29.762 -0.065 0.000 1.380 1043 H HN 0.375 nan 8.280 nan 0.000 0.513 1044 T N 1.203 115.715 114.554 -0.070 0.000 2.652 1044 T HA -0.128 4.223 4.350 0.001 0.000 0.267 1044 T C 2.041 176.709 174.700 -0.052 0.000 1.039 1044 T CA 1.452 63.488 62.100 -0.106 0.000 1.153 1044 T CB 0.012 68.747 68.868 -0.221 0.000 0.863 1044 T HN 0.371 nan 8.240 nan 0.000 0.428 1045 K N 0.405 120.770 120.400 -0.058 0.000 2.097 1045 K HA -0.001 4.320 4.320 0.001 0.000 0.206 1045 K C 2.361 178.957 176.600 -0.006 0.000 1.049 1045 K CA 1.061 57.329 56.287 -0.031 0.000 0.933 1045 K CB -0.156 32.321 32.500 -0.039 0.000 0.717 1045 K HN 0.238 nan 8.250 nan 0.000 0.442 1046 M N 0.407 119.999 119.600 -0.014 0.000 2.175 1046 M HA -0.109 4.371 4.480 0.001 0.000 0.264 1046 M C 2.246 178.561 176.300 0.024 0.000 1.063 1046 M CA 1.220 56.512 55.300 -0.014 0.000 1.119 1046 M CB -0.633 31.930 32.600 -0.063 0.000 1.377 1046 M HN -0.058 nan 8.290 nan 0.000 0.415 1047 V N 0.201 120.128 119.914 0.021 0.000 2.427 1047 V HA -0.247 3.874 4.120 0.001 0.000 0.248 1047 V C 2.389 178.494 176.094 0.019 0.000 1.051 1047 V CA 1.442 63.752 62.300 0.017 0.000 1.048 1047 V CB -0.616 31.210 31.823 0.004 0.000 0.666 1047 V HN 0.508 nan 8.190 nan 0.000 0.456 1048 Q N -0.694 119.116 119.800 0.017 0.000 2.084 1048 Q HA -0.172 4.168 4.340 0.001 0.000 0.202 1048 Q C 2.367 178.398 176.000 0.052 0.000 0.978 1048 Q CA 1.809 57.623 55.803 0.017 0.000 0.844 1048 Q CB -0.298 28.444 28.738 0.007 0.000 0.898 1048 Q HN 0.521 nan 8.270 nan 0.000 0.426 1049 V N 0.951 120.924 119.914 0.098 0.000 2.261 1049 V HA -0.303 3.818 4.120 0.001 0.000 0.246 1049 V C 2.292 178.499 176.094 0.188 0.000 1.047 1049 V CA 1.948 64.377 62.300 0.215 0.000 1.015 1049 V CB -1.007 30.924 31.823 0.179 0.000 0.642 1049 V HN 0.427 nan 8.190 nan 0.000 0.446 1050 A N -0.616 122.265 122.820 0.102 0.000 1.940 1050 A HA -0.269 4.051 4.320 0.001 0.000 0.219 1050 A C 2.574 180.173 177.584 0.026 0.000 1.176 1050 A CA 2.418 54.494 52.037 0.065 0.000 0.631 1050 A CB -0.847 18.177 19.000 0.039 0.000 0.814 1050 A HN 0.535 nan 8.150 nan 0.000 0.446 1051 S N -0.574 115.130 115.700 0.007 0.000 2.368 1051 S HA -0.215 4.255 4.470 0.001 0.000 0.225 1051 S C 2.115 176.697 174.600 -0.030 0.000 1.030 1051 S CA 1.939 60.114 58.200 -0.041 0.000 0.999 1051 S CB -0.310 62.867 63.200 -0.037 0.000 0.844 1051 S HN 0.626 nan 8.310 nan 0.000 0.459 1052 K N 0.480 120.886 120.400 0.010 0.000 2.001 1052 K HA 0.020 4.340 4.320 0.001 0.000 0.208 1052 K C 2.305 178.947 176.600 0.071 0.000 1.048 1052 K CA 1.146 57.431 56.287 -0.003 0.000 0.932 1052 K CB -0.619 31.822 32.500 -0.098 0.000 0.715 1052 K HN 0.394 nan 8.250 nan 0.000 0.437 1053 A N 1.251 124.173 122.820 0.170 0.000 1.908 1053 A HA -0.138 4.183 4.320 0.001 0.000 0.218 1053 A C 2.055 179.666 177.584 0.045 0.000 1.181 1053 A CA 1.440 53.569 52.037 0.154 0.000 0.627 1053 A CB -0.572 18.492 19.000 0.108 0.000 0.818 1053 A HN 0.356 nan 8.150 nan 0.000 0.445 1054 L N -2.062 119.163 121.223 0.003 0.000 2.418 1054 L HA 0.041 4.381 4.340 0.001 0.000 0.218 1054 L C 0.329 177.163 176.870 -0.060 0.000 1.125 1054 L CA 0.492 55.310 54.840 -0.036 0.000 0.835 1054 L CB -0.165 41.796 42.059 -0.163 0.000 0.953 1054 L HN 0.356 nan 8.230 nan 0.000 0.454 1055 K N 1.230 121.601 120.400 -0.048 0.000 3.162 1055 K HA -0.169 4.151 4.320 0.001 0.000 0.268 1055 K C -0.479 176.061 176.600 -0.100 0.000 1.062 1055 K CA 0.569 56.837 56.287 -0.031 0.000 0.769 1055 K CB -1.765 30.763 32.500 0.046 0.000 1.274 1055 K HN 0.505 nan 8.250 nan 0.000 0.478 1056 I N -4.663 115.784 120.570 -0.205 0.000 2.969 1056 I HA 0.634 4.804 4.170 0.001 0.000 0.307 1056 I C -2.768 173.235 176.117 -0.190 0.000 1.149 1056 I CA -3.282 57.844 61.300 -0.291 0.000 1.008 1056 I CB 2.371 39.967 38.000 -0.673 0.000 1.232 1056 I HN -0.297 nan 8.210 nan 0.000 0.435 1057 P HA 0.190 nan 4.420 nan 0.000 0.269 1057 P C 1.092 178.346 177.300 -0.077 0.000 1.209 1057 P CA -0.262 62.787 63.100 -0.085 0.000 0.776 1057 P CB 0.559 32.223 31.700 -0.060 0.000 0.876 1058 I N 0.238 120.786 120.570 -0.038 0.000 2.567 1058 I HA -0.221 3.950 4.170 0.001 0.000 0.257 1058 I C 1.626 177.749 176.117 0.009 0.000 1.184 1058 I CA 1.785 63.077 61.300 -0.014 0.000 1.451 1058 I CB -1.056 36.947 38.000 0.005 0.000 1.089 1058 I HN 0.247 nan 8.210 nan 0.000 0.441 1059 S N 1.529 117.231 115.700 0.004 0.000 2.465 1059 S HA -0.138 4.333 4.470 0.001 0.000 0.241 1059 S C 1.713 176.326 174.600 0.022 0.000 1.000 1059 S CA 0.958 59.170 58.200 0.020 0.000 0.964 1059 S CB -0.524 62.681 63.200 0.009 0.000 0.763 1059 S HN 0.640 nan 8.310 nan 0.000 0.512 1060 K N 0.206 120.604 120.400 -0.004 0.000 2.374 1060 K HA 0.406 4.727 4.320 0.001 0.000 0.196 1060 K C -0.158 176.472 176.600 0.050 0.000 1.023 1060 K CA 0.051 56.342 56.287 0.008 0.000 1.103 1060 K CB 0.253 32.713 32.500 -0.066 0.000 0.848 1060 K HN 0.442 nan 8.250 nan 0.000 0.528 1061 I N 0.294 120.900 120.570 0.061 0.000 2.603 1061 I HA 0.304 4.474 4.170 0.001 0.000 0.300 1061 I C -1.118 175.114 176.117 0.191 0.000 1.017 1061 I CA -1.267 60.093 61.300 0.099 0.000 1.098 1061 I CB 1.405 39.428 38.000 0.038 0.000 1.279 1061 I HN -0.117 nan 8.210 nan 0.000 0.437 1062 Y N 5.702 126.019 120.300 0.029 0.000 2.513 1062 Y HA 0.619 5.169 4.550 0.001 0.000 0.340 1062 Y C -1.437 174.456 175.900 -0.013 0.000 1.055 1062 Y CA -0.856 57.251 58.100 0.012 0.000 1.020 1062 Y CB 1.737 40.211 38.460 0.023 0.000 1.301 1062 Y HN 0.322 nan 8.280 nan 0.000 0.453 1063 I N 4.497 124.674 120.570 -0.655 0.000 2.439 1063 I HA 0.226 4.396 4.170 0.001 0.000 0.285 1063 I C 0.284 175.900 176.117 -0.834 0.000 1.021 1063 I CA -0.286 60.672 61.300 -0.570 0.000 1.091 1063 I CB 2.086 39.766 38.000 -0.534 0.000 1.242 1063 I HN 0.712 nan 8.210 nan 0.000 0.439 1064 S N 5.245 120.666 115.700 -0.464 0.000 2.387 1064 S HA 0.123 4.593 4.470 0.001 0.000 0.221 1064 S C 0.441 174.912 174.600 -0.215 0.000 1.041 1064 S CA 0.805 58.860 58.200 -0.242 0.000 0.959 1064 S CB 0.302 63.552 63.200 0.084 0.000 0.843 1064 S HN 0.824 nan 8.310 nan 0.000 0.488 1065 E N -1.336 118.729 120.200 -0.227 0.000 2.415 1065 E HA 0.395 4.745 4.350 0.001 0.000 0.271 1065 E C -1.664 174.816 176.600 -0.201 0.000 1.094 1065 E CA -0.995 55.309 56.400 -0.160 0.000 0.881 1065 E CB 0.819 30.489 29.700 -0.049 0.000 1.581 1065 E HN -0.013 nan 8.360 nan 0.000 0.460 1066 T N 1.089 115.567 114.554 -0.127 0.000 2.807 1066 T HA 0.633 4.984 4.350 0.001 0.000 0.279 1066 T C -0.999 173.639 174.700 -0.103 0.000 0.993 1066 T CA -0.571 61.436 62.100 -0.155 0.000 0.970 1066 T CB 1.200 69.985 68.868 -0.139 0.000 0.950 1066 T HN 0.587 nan 8.240 nan 0.000 0.441 1067 S N 0.310 115.952 115.700 -0.097 0.000 2.536 1067 S HA 0.414 4.884 4.470 0.001 0.000 0.271 1067 S C 1.033 175.597 174.600 -0.060 0.000 1.134 1067 S CA -0.709 57.446 58.200 -0.076 0.000 0.897 1067 S CB 1.390 64.555 63.200 -0.059 0.000 1.094 1067 S HN 0.708 nan 8.310 nan 0.000 0.473 1068 T N -0.987 113.531 114.554 -0.060 0.000 3.051 1068 T HA -0.086 4.264 4.350 0.001 0.000 0.269 1068 T C 1.038 175.722 174.700 -0.027 0.000 1.127 1068 T CA 1.232 63.307 62.100 -0.042 0.000 1.107 1068 T CB -0.785 68.053 68.868 -0.049 0.000 0.898 1068 T HN 0.757 nan 8.240 nan 0.000 0.517 1069 N N 1.187 119.872 118.700 -0.026 0.000 2.230 1069 N HA 0.021 4.762 4.740 0.001 0.000 0.202 1069 N C 1.148 176.665 175.510 0.011 0.000 1.119 1069 N CA 0.644 53.689 53.050 -0.009 0.000 0.851 1069 N CB -0.075 38.405 38.487 -0.011 0.000 0.990 1069 N HN 0.625 nan 8.380 nan 0.000 0.497 1070 T N -3.448 111.110 114.554 0.007 0.000 3.058 1070 T HA 0.290 4.641 4.350 0.001 0.000 0.247 1070 T C 0.325 175.037 174.700 0.019 0.000 0.987 1070 T CA 0.058 62.171 62.100 0.022 0.000 1.062 1070 T CB 0.077 68.950 68.868 0.008 0.000 1.048 1070 T HN -0.108 nan 8.240 nan 0.000 0.468 1071 V N 4.617 124.538 119.914 0.011 0.000 2.419 1071 V HA 0.520 4.640 4.120 0.001 0.000 0.287 1071 V C -2.583 173.534 176.094 0.039 0.000 1.017 1071 V CA -1.886 60.440 62.300 0.042 0.000 0.844 1071 V CB 2.010 33.865 31.823 0.053 0.000 1.011 1071 V HN 0.346 nan 8.190 nan 0.000 0.429 1072 P HA 0.369 nan 4.420 nan 0.000 0.280 1072 P C -0.262 177.070 177.300 0.052 0.000 1.272 1072 P CA -0.393 62.725 63.100 0.030 0.000 0.819 1072 P CB 0.683 32.390 31.700 0.013 0.000 1.122 1073 N N -1.752 116.964 118.700 0.026 0.000 2.716 1073 N HA -0.138 4.603 4.740 0.001 0.000 0.250 1073 N C -0.081 175.467 175.510 0.063 0.000 1.033 1073 N CA 1.004 54.070 53.050 0.027 0.000 0.727 1073 N CB -2.167 36.330 38.487 0.017 0.000 0.950 1073 N HN 0.604 nan 8.380 nan 0.000 0.541 1074 S N -1.779 113.962 115.700 0.069 0.000 2.565 1074 S HA 0.506 4.976 4.470 0.001 0.000 0.274 1074 S C 0.643 175.283 174.600 0.067 0.000 1.309 1074 S CA -0.693 57.577 58.200 0.116 0.000 1.043 1074 S CB 1.909 65.189 63.200 0.133 0.000 0.939 1074 S HN 0.187 nan 8.310 nan 0.000 0.504 1075 S N 3.634 119.372 115.700 0.063 0.000 2.603 1075 S HA 0.406 4.877 4.470 0.001 0.000 0.268 1075 S C -2.066 172.570 174.600 0.060 0.000 1.317 1075 S CA -0.914 57.250 58.200 -0.060 0.000 1.012 1075 S CB -0.011 63.008 63.200 -0.303 0.000 0.926 1075 S HN 0.741 nan 8.310 nan 0.000 0.539 1076 P HA 0.068 nan 4.420 nan 0.000 0.269 1076 P C -0.741 176.712 177.300 0.254 0.000 1.215 1076 P CA -0.205 62.967 63.100 0.120 0.000 0.780 1076 P CB 0.059 31.821 31.700 0.104 0.000 0.898 1077 T N 1.575 116.238 114.554 0.181 0.000 2.848 1077 T HA 0.469 4.819 4.350 0.001 0.000 0.283 1077 T C 0.297 175.081 174.700 0.139 0.000 0.919 1077 T CA 0.390 62.606 62.100 0.194 0.000 1.071 1077 T CB -0.640 68.278 68.868 0.083 0.000 0.912 1077 T HN 0.617 nan 8.240 nan 0.000 0.570 1078 A N 2.301 125.216 122.820 0.158 0.000 2.493 1078 A HA 0.859 5.180 4.320 0.001 0.000 0.300 1078 A C 0.571 177.900 177.584 -0.425 0.000 1.152 1078 A CA -0.287 51.727 52.037 -0.038 0.000 0.643 1078 A CB 0.042 19.085 19.000 0.072 0.000 1.316 1078 A HN 1.497 nan 8.150 nan 0.000 0.469 1079 A N -1.031 121.479 122.820 -0.516 0.000 2.816 1079 A HA 0.029 4.349 4.320 0.001 0.000 0.270 1079 A C 1.238 178.603 177.584 -0.366 0.000 1.413 1079 A CA 1.847 53.505 52.037 -0.631 0.000 0.866 1079 A CB -2.521 15.642 19.000 -1.395 0.000 1.032 1079 A HN 2.490 nan 8.150 nan 0.000 0.642 1080 S N -4.424 111.141 115.700 -0.225 0.000 3.143 1080 S HA -0.365 4.105 4.470 0.001 0.000 0.291 1080 S C 1.105 175.629 174.600 -0.128 0.000 1.294 1080 S CA 2.089 60.204 58.200 -0.141 0.000 1.115 1080 S CB -2.416 60.706 63.200 -0.130 0.000 1.318 1080 S HN 2.278 nan 8.310 nan 0.000 0.685 1081 V N -1.980 117.822 119.914 -0.187 0.000 3.647 1081 V HA 0.255 4.375 4.120 0.001 0.000 0.279 1081 V C 1.686 177.736 176.094 -0.073 0.000 1.314 1081 V CA 0.794 63.019 62.300 -0.125 0.000 1.125 1081 V CB 0.167 31.892 31.823 -0.164 0.000 0.907 1081 V HN 0.382 nan 8.190 nan 0.000 0.434 1082 S N 1.849 117.543 115.700 -0.010 0.000 2.365 1082 S HA -0.220 4.250 4.470 0.001 0.000 0.225 1082 S C 2.008 176.660 174.600 0.088 0.000 1.039 1082 S CA 2.404 60.679 58.200 0.124 0.000 1.033 1082 S CB -0.635 62.711 63.200 0.244 0.000 0.887 1082 S HN 0.760 nan 8.310 nan 0.000 0.447 1083 T N 2.163 116.731 114.554 0.023 0.000 2.746 1083 T HA -0.117 4.233 4.350 0.001 0.000 0.267 1083 T C 1.418 176.082 174.700 -0.059 0.000 1.039 1083 T CA 1.586 63.678 62.100 -0.013 0.000 1.142 1083 T CB -0.619 68.239 68.868 -0.017 0.000 0.866 1083 T HN 0.312 nan 8.240 nan 0.000 0.444 1084 D N 1.302 121.667 120.400 -0.059 0.000 2.087 1084 D HA -0.084 4.557 4.640 0.001 0.000 0.192 1084 D C 2.165 178.340 176.300 -0.209 0.000 0.993 1084 D CA 1.253 55.198 54.000 -0.091 0.000 0.828 1084 D CB -0.421 40.386 40.800 0.012 0.000 0.968 1084 D HN 0.561 nan 8.370 nan 0.000 0.448 1085 I N -2.490 117.965 120.570 -0.192 0.000 2.333 1085 I HA -0.146 4.024 4.170 0.001 0.000 0.246 1085 I C 1.865 177.798 176.117 -0.306 0.000 1.106 1085 I CA 1.017 62.183 61.300 -0.224 0.000 1.411 1085 I CB -0.760 37.097 38.000 -0.238 0.000 1.082 1085 I HN -0.026 nan 8.210 nan 0.000 0.420 1086 Y N 2.263 122.512 120.300 -0.085 0.000 2.373 1086 Y HA 0.062 4.613 4.550 0.001 0.000 0.293 1086 Y C 2.808 178.606 175.900 -0.171 0.000 1.129 1086 Y CA 0.836 58.859 58.100 -0.129 0.000 1.226 1086 Y CB -0.473 37.849 38.460 -0.230 0.000 1.000 1086 Y HN 0.240 nan 8.280 nan 0.000 0.549 1087 G N -0.477 108.276 108.800 -0.078 0.000 2.408 1087 G HA2 -0.280 3.680 3.960 0.001 0.000 0.217 1087 G HA3 -0.280 3.680 3.960 0.001 0.000 0.217 1087 G C 1.471 176.285 174.900 -0.144 0.000 1.150 1087 G CA 0.827 45.863 45.100 -0.107 0.000 0.776 1087 G HN 0.256 nan 8.290 nan 0.000 0.542 1088 Q N 0.478 120.107 119.800 -0.285 0.000 2.083 1088 Q HA 0.212 4.552 4.340 0.001 0.000 0.198 1088 Q C 2.733 178.689 176.000 -0.074 0.000 0.969 1088 Q CA 1.620 57.206 55.803 -0.361 0.000 0.838 1088 Q CB -0.528 27.608 28.738 -1.003 0.000 0.900 1088 Q HN 0.362 nan 8.270 nan 0.000 0.436 1089 A N -0.715 122.091 122.820 -0.023 0.000 1.902 1089 A HA -0.134 4.187 4.320 0.001 0.000 0.217 1089 A C 2.241 179.889 177.584 0.108 0.000 1.181 1089 A CA 1.660 53.752 52.037 0.090 0.000 0.623 1089 A CB -0.836 18.241 19.000 0.128 0.000 0.818 1089 A HN 0.257 nan 8.150 nan 0.000 0.443 1090 V N -1.400 118.567 119.914 0.088 0.000 2.358 1090 V HA -0.273 3.848 4.120 0.001 0.000 0.246 1090 V C 2.335 178.477 176.094 0.079 0.000 1.047 1090 V CA 2.070 64.418 62.300 0.080 0.000 1.035 1090 V CB -1.037 30.821 31.823 0.057 0.000 0.658 1090 V HN 0.716 nan 8.190 nan 0.000 0.452 1091 Y N 1.308 121.582 120.300 -0.044 0.000 2.128 1091 Y HA -0.257 4.294 4.550 0.001 0.000 0.284 1091 Y C 2.646 178.540 175.900 -0.010 0.000 1.154 1091 Y CA 2.138 60.206 58.100 -0.053 0.000 1.149 1091 Y CB -0.145 38.214 38.460 -0.169 0.000 0.976 1091 Y HN 0.225 nan 8.280 nan 0.000 0.505 1092 E N 0.444 120.698 120.200 0.091 0.000 2.058 1092 E HA -0.233 4.118 4.350 0.001 0.000 0.194 1092 E C 2.449 179.038 176.600 -0.018 0.000 0.997 1092 E CA 1.248 57.671 56.400 0.039 0.000 0.801 1092 E CB -0.908 28.878 29.700 0.144 0.000 0.746 1092 E HN 0.593 nan 8.360 nan 0.000 0.450 1093 A N 0.745 123.578 122.820 0.022 0.000 1.940 1093 A HA -0.213 4.108 4.320 0.001 0.000 0.219 1093 A C 2.646 180.225 177.584 -0.009 0.000 1.176 1093 A CA 1.593 53.643 52.037 0.021 0.000 0.631 1093 A CB -0.932 18.091 19.000 0.038 0.000 0.814 1093 A HN 0.361 nan 8.150 nan 0.000 0.446 1094 C N -0.897 118.373 119.300 -0.050 0.000 2.440 1094 C HA -0.080 4.380 4.460 0.001 0.000 0.278 1094 C C 2.868 177.808 174.990 -0.082 0.000 1.295 1094 C CA 1.049 60.037 59.018 -0.050 0.000 1.738 1094 C CB -1.011 26.680 27.740 -0.080 0.000 1.987 1094 C HN 0.601 nan 8.230 nan 0.000 0.492 1095 Q N 0.410 120.093 119.800 -0.194 0.000 2.084 1095 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 1095 Q C 2.229 178.200 176.000 -0.049 0.000 0.978 1095 Q CA 1.842 57.547 55.803 -0.164 0.000 0.844 1095 Q CB -1.174 27.427 28.738 -0.229 0.000 0.898 1095 Q HN 0.626 nan 8.270 nan 0.000 0.426 1096 T N 1.839 116.378 114.554 -0.024 0.000 2.788 1096 T HA -0.077 4.273 4.350 0.001 0.000 0.268 1096 T C 1.857 176.574 174.700 0.029 0.000 1.044 1096 T CA 0.724 62.831 62.100 0.011 0.000 1.139 1096 T CB -0.034 68.847 68.868 0.022 0.000 0.867 1096 T HN 0.113 nan 8.240 nan 0.000 0.454 1097 I N 1.085 121.680 120.570 0.042 0.000 2.252 1097 I HA -0.062 4.109 4.170 0.001 0.000 0.245 1097 I C 2.333 178.505 176.117 0.091 0.000 1.102 1097 I CA 1.223 62.570 61.300 0.078 0.000 1.385 1097 I CB -1.241 36.838 38.000 0.132 0.000 1.064 1097 I HN 0.284 nan 8.210 nan 0.000 0.414 1098 L N 0.418 121.694 121.223 0.087 0.000 2.046 1098 L HA -0.237 4.104 4.340 0.001 0.000 0.208 1098 L C 2.588 179.482 176.870 0.040 0.000 1.077 1098 L CA 1.244 56.135 54.840 0.086 0.000 0.747 1098 L CB -0.653 41.442 42.059 0.060 0.000 0.896 1098 L HN 0.180 nan 8.230 nan 0.000 0.432 1099 K N 0.868 121.283 120.400 0.024 0.000 2.063 1099 K HA -0.180 4.140 4.320 0.001 0.000 0.208 1099 K C 2.133 178.748 176.600 0.026 0.000 1.048 1099 K CA 1.587 57.881 56.287 0.013 0.000 0.928 1099 K CB -0.123 32.384 32.500 0.011 0.000 0.713 1099 K HN 0.129 nan 8.250 nan 0.000 0.442 1100 R N -0.169 120.361 120.500 0.051 0.000 2.115 1100 R HA 0.026 4.367 4.340 0.001 0.000 0.230 1100 R C 2.198 178.598 176.300 0.166 0.000 1.111 1100 R CA 1.334 57.488 56.100 0.091 0.000 0.976 1100 R CB -0.257 30.089 30.300 0.078 0.000 0.870 1100 R HN 0.212 nan 8.270 nan 0.000 0.445 1101 L N 0.497 121.789 121.223 0.115 0.000 2.418 1101 L HA -0.031 4.309 4.340 0.001 0.000 0.218 1101 L C 2.196 179.109 176.870 0.072 0.000 1.125 1101 L CA 0.306 55.238 54.840 0.153 0.000 0.835 1101 L CB -0.225 41.849 42.059 0.025 0.000 0.953 1101 L HN 0.105 nan 8.230 nan 0.000 0.454 1102 E N 0.867 121.053 120.200 -0.024 0.000 2.065 1102 E HA -0.227 4.123 4.350 0.001 0.000 0.201 1102 E C -0.237 176.238 176.600 -0.208 0.000 1.016 1102 E CA 1.858 58.180 56.400 -0.130 0.000 0.818 1102 E CB -1.373 28.271 29.700 -0.093 0.000 0.749 1102 E HN 0.344 nan 8.360 nan 0.000 0.453 1103 P HA -0.154 nan 4.420 nan 0.000 0.216 1103 P C 1.202 178.156 177.300 -0.577 0.000 1.150 1103 P CA 1.362 64.171 63.100 -0.485 0.000 0.843 1103 P CB -0.236 31.032 31.700 -0.720 0.000 0.787 1104 F N -0.571 119.290 119.950 -0.147 0.000 2.367 1104 F HA 0.067 4.594 4.527 0.001 0.000 0.298 1104 F C 2.359 177.976 175.800 -0.305 0.000 1.094 1104 F CA 0.788 58.715 58.000 -0.121 0.000 1.409 1104 F CB -0.688 38.296 39.000 -0.026 0.000 1.064 1104 F HN -0.168 nan 8.300 nan 0.000 0.528 1105 K N 1.184 121.282 120.400 -0.503 0.000 2.062 1105 K HA -0.131 4.189 4.320 0.001 0.000 0.205 1105 K C 1.883 178.244 176.600 -0.398 0.000 1.051 1105 K CA 1.207 56.879 56.287 -1.025 0.000 0.941 1105 K CB 0.002 31.846 32.500 -1.093 0.000 0.719 1105 K HN 0.151 nan 8.250 nan 0.000 0.440 1106 K N 0.548 120.788 120.400 -0.266 0.000 2.097 1106 K HA -0.100 4.220 4.320 0.001 0.000 0.205 1106 K C 2.077 178.631 176.600 -0.076 0.000 1.050 1106 K CA 1.349 57.549 56.287 -0.146 0.000 0.938 1106 K CB 0.054 32.467 32.500 -0.145 0.000 0.718 1106 K HN 0.098 nan 8.250 nan 0.000 0.442 1107 K N 0.428 120.781 120.400 -0.077 0.000 2.097 1107 K HA -0.108 4.213 4.320 0.001 0.000 0.205 1107 K C 0.787 177.431 176.600 0.073 0.000 1.050 1107 K CA 0.955 57.236 56.287 -0.010 0.000 0.938 1107 K CB -0.028 32.466 32.500 -0.010 0.000 0.718 1107 K HN -0.015 nan 8.250 nan 0.000 0.442 1108 N N -0.016 118.773 118.700 0.149 0.000 2.791 1108 N HA 0.165 4.906 4.740 0.001 0.000 0.265 1108 N C -2.483 173.269 175.510 0.403 0.000 1.580 1108 N CA -2.017 51.194 53.050 0.269 0.000 0.809 1108 N CB 1.143 39.842 38.487 0.352 0.000 1.178 1108 N HN -0.229 nan 8.380 nan 0.000 0.499 1109 P HA -0.101 nan 4.420 nan 0.000 0.216 1109 P C 0.050 177.562 177.300 0.354 0.000 1.150 1109 P CA 1.279 64.523 63.100 0.239 0.000 0.843 1109 P CB 0.282 32.053 31.700 0.119 0.000 0.787 1110 D N -1.166 119.387 120.400 0.255 0.000 2.325 1110 D HA 0.111 4.752 4.640 0.001 0.000 0.225 1110 D C 1.252 177.633 176.300 0.136 0.000 1.096 1110 D CA 0.307 54.418 54.000 0.185 0.000 0.844 1110 D CB -0.156 40.710 40.800 0.110 0.000 0.925 1110 D HN 0.124 nan 8.370 nan 0.000 0.513 1111 G N 0.558 109.480 108.800 0.204 0.000 2.580 1111 G HA2 0.347 4.307 3.960 0.001 0.000 0.278 1111 G HA3 0.347 4.307 3.960 0.001 0.000 0.278 1111 G C 0.366 174.911 174.900 -0.591 0.000 1.212 1111 G CA -0.322 44.710 45.100 -0.113 0.000 0.939 1111 G HN 0.158 nan 8.290 nan 0.000 0.513 1112 S N -0.905 114.376 115.700 -0.699 0.000 2.730 1112 S HA 0.193 4.664 4.470 0.001 0.000 0.284 1112 S C 1.046 175.011 174.600 -1.059 0.000 1.153 1112 S CA -0.576 57.210 58.200 -0.690 0.000 0.995 1112 S CB 1.203 64.224 63.200 -0.298 0.000 1.058 1112 S HN 0.808 nan 8.310 nan 0.000 0.552 1113 W N 1.285 122.163 121.300 -0.703 0.000 2.338 1113 W HA -0.156 4.504 4.660 0.001 0.000 0.304 1113 W C 1.067 177.471 176.519 -0.191 0.000 1.212 1113 W CA 2.123 59.276 57.345 -0.321 0.000 1.264 1113 W CB -0.503 28.915 29.460 -0.070 0.000 1.142 1113 W HN 0.814 nan 8.180 nan 0.000 0.512 1114 E N 0.888 121.010 120.200 -0.130 0.000 2.077 1114 E HA -0.202 4.149 4.350 0.001 0.000 0.193 1114 E C 1.694 178.157 176.600 -0.227 0.000 0.989 1114 E CA 1.948 58.255 56.400 -0.155 0.000 0.800 1114 E CB -0.736 28.939 29.700 -0.042 0.000 0.746 1114 E HN 0.200 nan 8.360 nan 0.000 0.452 1115 D N -0.465 119.760 120.400 -0.293 0.000 2.097 1115 D HA -0.161 4.480 4.640 0.001 0.000 0.195 1115 D C 1.670 177.902 176.300 -0.114 0.000 0.989 1115 D CA 0.856 54.723 54.000 -0.221 0.000 0.827 1115 D CB -0.273 40.363 40.800 -0.274 0.000 0.966 1115 D HN 0.298 nan 8.370 nan 0.000 0.456 1116 W N 1.154 122.374 121.300 -0.133 0.000 2.388 1116 W HA -0.053 4.607 4.660 0.001 0.000 0.294 1116 W C 2.345 178.647 176.519 -0.360 0.000 1.212 1116 W CA 0.076 57.318 57.345 -0.171 0.000 1.271 1116 W CB -1.308 28.074 29.460 -0.129 0.000 1.126 1116 W HN -0.127 nan 8.180 nan 0.000 0.535 1117 V N 0.678 120.428 119.914 -0.273 0.000 2.295 1117 V HA -0.324 3.797 4.120 0.001 0.000 0.246 1117 V C 2.283 178.246 176.094 -0.218 0.000 1.049 1117 V CA 2.185 64.271 62.300 -0.356 0.000 1.024 1117 V CB -0.903 30.638 31.823 -0.471 0.000 0.648 1117 V HN 0.037 nan 8.190 nan 0.000 0.447 1118 M N 0.843 120.352 119.600 -0.151 0.000 2.175 1118 M HA -0.032 4.448 4.480 0.001 0.000 0.264 1118 M C 2.032 178.290 176.300 -0.070 0.000 1.063 1118 M CA 2.061 57.329 55.300 -0.054 0.000 1.119 1118 M CB -0.793 31.785 32.600 -0.036 0.000 1.377 1118 M HN 0.251 nan 8.290 nan 0.000 0.415 1119 A N -0.284 122.449 122.820 -0.146 0.000 1.902 1119 A HA 0.039 4.360 4.320 0.001 0.000 0.217 1119 A C 2.370 179.578 177.584 -0.627 0.000 1.181 1119 A CA 2.044 53.958 52.037 -0.204 0.000 0.623 1119 A CB -1.404 17.590 19.000 -0.010 0.000 0.818 1119 A HN 0.628 nan 8.150 nan 0.000 0.443 1120 A N -1.352 120.881 122.820 -0.979 0.000 1.877 1120 A HA -0.109 4.211 4.320 0.001 0.000 0.216 1120 A C 2.158 179.488 177.584 -0.423 0.000 1.186 1120 A CA 1.697 53.048 52.037 -1.143 0.000 0.620 1120 A CB -0.897 17.650 19.000 -0.754 0.000 0.822 1120 A HN 0.754 nan 8.150 nan 0.000 0.443 1121 Y N 0.729 120.835 120.300 -0.323 0.000 2.128 1121 Y HA -0.243 4.308 4.550 0.001 0.000 0.284 1121 Y C 2.463 178.288 175.900 -0.126 0.000 1.154 1121 Y CA 2.268 60.263 58.100 -0.175 0.000 1.149 1121 Y CB -0.259 38.122 38.460 -0.132 0.000 0.976 1121 Y HN 0.353 nan 8.280 nan 0.000 0.505 1122 Q N -0.509 119.143 119.800 -0.246 0.000 2.226 1122 Q HA -0.183 4.157 4.340 0.001 0.000 0.204 1122 Q C 1.100 176.983 176.000 -0.194 0.000 0.975 1122 Q CA 1.736 57.399 55.803 -0.234 0.000 0.866 1122 Q CB -0.338 28.361 28.738 -0.065 0.000 0.915 1122 Q HN 0.557 nan 8.270 nan 0.000 0.440 1123 D N -0.144 120.164 120.400 -0.153 0.000 2.340 1123 D HA 0.072 4.712 4.640 0.001 0.000 0.217 1123 D C -0.477 175.791 176.300 -0.054 0.000 1.081 1123 D CA -0.121 53.868 54.000 -0.018 0.000 0.842 1123 D CB 0.171 41.103 40.800 0.221 0.000 0.934 1123 D HN 0.027 nan 8.370 nan 0.000 0.511 1124 R N -0.629 119.765 120.500 -0.178 0.000 3.267 1124 R HA -0.124 4.217 4.340 0.001 0.000 0.254 1124 R C -1.089 175.174 176.300 -0.062 0.000 0.993 1124 R CA 0.065 56.071 56.100 -0.156 0.000 0.670 1124 R CB -2.085 28.145 30.300 -0.117 0.000 1.125 1124 R HN 0.023 nan 8.270 nan 0.000 0.434 1125 V N 1.006 120.886 119.914 -0.056 0.000 2.384 1125 V HA 0.187 4.308 4.120 0.001 0.000 0.287 1125 V C 0.781 176.873 176.094 -0.003 0.000 1.020 1125 V CA -0.402 61.901 62.300 0.005 0.000 0.850 1125 V CB 1.832 33.687 31.823 0.053 0.000 0.987 1125 V HN 0.395 nan 8.190 nan 0.000 0.436 1126 S N 5.064 120.774 115.700 0.016 0.000 2.546 1126 S HA 0.190 4.660 4.470 0.001 0.000 0.290 1126 S C 0.435 175.050 174.600 0.024 0.000 1.290 1126 S CA -0.112 58.103 58.200 0.025 0.000 1.069 1126 S CB 0.029 63.246 63.200 0.028 0.000 0.846 1126 S HN 0.599 nan 8.310 nan 0.000 0.495 1127 L N 4.375 125.611 121.223 0.022 0.000 2.984 1127 L HA 0.330 4.670 4.340 0.001 0.000 0.246 1127 L C 0.476 177.365 176.870 0.032 0.000 1.268 1127 L CA -0.240 54.605 54.840 0.008 0.000 1.054 1127 L CB 0.271 42.316 42.059 -0.025 0.000 1.393 1127 L HN 0.548 nan 8.230 nan 0.000 0.532 1128 S N -0.529 115.210 115.700 0.065 0.000 2.538 1128 S HA 0.733 5.203 4.470 0.001 0.000 0.288 1128 S C -0.635 174.015 174.600 0.084 0.000 1.108 1128 S CA -0.283 58.001 58.200 0.139 0.000 0.971 1128 S CB 2.097 65.431 63.200 0.224 0.000 1.041 1128 S HN 0.122 nan 8.310 nan 0.000 0.483 1129 T N 1.798 116.382 114.554 0.049 0.000 2.840 1129 T HA 0.629 4.979 4.350 0.001 0.000 0.317 1129 T C -0.614 174.096 174.700 0.016 0.000 1.401 1129 T CA -0.219 61.902 62.100 0.035 0.000 1.028 1129 T CB 1.387 70.276 68.868 0.036 0.000 1.317 1129 T HN 0.899 nan 8.240 nan 0.000 0.495 1130 T N 0.057 114.634 114.554 0.037 0.000 2.912 1130 T HA 0.838 5.189 4.350 0.001 0.000 0.280 1130 T C 0.362 175.116 174.700 0.090 0.000 0.989 1130 T CA -0.384 61.751 62.100 0.058 0.000 0.995 1130 T CB 1.386 70.294 68.868 0.066 0.000 1.077 1130 T HN 0.993 nan 8.240 nan 0.000 0.531 1131 G N -0.147 108.738 108.800 0.142 0.000 2.667 1131 G HA2 0.638 4.598 3.960 0.001 0.000 0.298 1131 G HA3 0.638 4.598 3.960 0.001 0.000 0.298 1131 G C -2.139 172.940 174.900 0.299 0.000 1.377 1131 G CA -0.760 44.446 45.100 0.176 0.000 0.964 1131 G HN 0.699 nan 8.290 nan 0.000 0.493 1132 F N 0.994 121.008 119.950 0.106 0.000 2.619 1132 F HA 0.755 5.283 4.527 0.001 0.000 0.308 1132 F C -1.818 174.088 175.800 0.177 0.000 1.097 1132 F CA -1.125 56.946 58.000 0.117 0.000 0.953 1132 F CB 2.420 41.462 39.000 0.070 0.000 1.287 1132 F HN 0.581 nan 8.300 nan 0.000 0.446 1133 Y N 4.234 124.151 120.300 -0.640 0.000 2.544 1133 Y HA 0.654 5.205 4.550 0.001 0.000 0.342 1133 Y C -1.608 173.957 175.900 -0.559 0.000 1.062 1133 Y CA -1.115 56.744 58.100 -0.402 0.000 1.023 1133 Y CB 1.598 39.894 38.460 -0.273 0.000 1.308 1133 Y HN 0.721 nan 8.280 nan 0.000 0.457 1134 R N 3.271 123.103 120.500 -1.114 0.000 2.514 1134 R HA 0.456 4.797 4.340 0.001 0.000 0.296 1134 R C -1.415 174.197 176.300 -1.147 0.000 1.012 1134 R CA -0.500 55.099 56.100 -0.835 0.000 0.897 1134 R CB 1.478 31.590 30.300 -0.314 0.000 1.184 1134 R HN 0.798 nan 8.270 nan 0.000 0.440 1135 T N 7.212 121.265 114.554 -0.835 0.000 2.784 1135 T HA 0.155 4.505 4.350 0.001 0.000 0.291 1135 T C -2.062 172.411 174.700 -0.378 0.000 0.942 1135 T CA -0.622 61.109 62.100 -0.615 0.000 1.161 1135 T CB 0.669 69.299 68.868 -0.396 0.000 0.885 1135 T HN 0.464 nan 8.240 nan 0.000 0.534 1136 P HA 0.136 nan 4.420 nan 0.000 0.274 1136 P C -0.261 177.034 177.300 -0.009 0.000 1.237 1136 P CA -0.513 62.530 63.100 -0.095 0.000 0.793 1136 P CB 0.456 32.151 31.700 -0.009 0.000 0.977 1137 N N -0.193 118.510 118.700 0.004 0.000 2.688 1137 N HA -0.162 4.579 4.740 0.001 0.000 0.258 1137 N C -0.665 174.857 175.510 0.020 0.000 1.016 1137 N CA 0.911 53.977 53.050 0.026 0.000 0.747 1137 N CB -1.508 37.014 38.487 0.057 0.000 0.895 1137 N HN 0.460 nan 8.380 nan 0.000 0.543 1138 L N -0.662 120.552 121.223 -0.015 0.000 2.354 1138 L HA 0.809 5.149 4.340 0.001 0.000 0.269 1138 L C 0.850 177.702 176.870 -0.031 0.000 1.005 1138 L CA -0.754 54.063 54.840 -0.038 0.000 0.819 1138 L CB 2.207 44.224 42.059 -0.070 0.000 1.311 1138 L HN 0.314 nan 8.230 nan 0.000 0.423 1139 G N 1.464 110.242 108.800 -0.036 0.000 2.315 1139 G HA2 -0.004 3.956 3.960 0.001 0.000 0.197 1139 G HA3 -0.004 3.956 3.960 0.001 0.000 0.197 1139 G C -1.740 173.169 174.900 0.015 0.000 2.750 1139 G CA -0.727 44.368 45.100 -0.008 0.000 0.960 1139 G HN 0.410 nan 8.290 nan 0.000 0.557 1140 Y N 1.913 122.150 120.300 -0.105 0.000 2.376 1140 Y HA 0.803 5.353 4.550 0.001 0.000 0.325 1140 Y C 0.173 176.057 175.900 -0.027 0.000 1.199 1140 Y CA -0.531 57.508 58.100 -0.103 0.000 1.206 1140 Y CB 2.302 40.638 38.460 -0.208 0.000 1.229 1140 Y HN 0.608 nan 8.280 nan 0.000 0.480 1141 S N 4.613 119.686 115.700 -1.046 0.000 2.594 1141 S HA 0.356 4.827 4.470 0.001 0.000 0.296 1141 S C -0.256 173.797 174.600 -0.913 0.000 1.124 1141 S CA -0.642 57.181 58.200 -0.629 0.000 1.011 1141 S CB 0.182 63.195 63.200 -0.313 0.000 1.016 1141 S HN 0.682 nan 8.310 nan 0.000 0.485 1142 F N 2.301 122.052 119.950 -0.332 0.000 2.661 1142 F HA 0.153 4.681 4.527 0.001 0.000 0.298 1142 F C 2.284 178.032 175.800 -0.086 0.000 1.137 1142 F CA 0.422 58.369 58.000 -0.089 0.000 1.454 1142 F CB 0.229 39.256 39.000 0.045 0.000 1.103 1142 F HN 0.588 nan 8.300 nan 0.000 0.577 1143 E N -0.463 119.753 120.200 0.026 0.000 2.076 1143 E HA -0.100 4.250 4.350 0.001 0.000 0.190 1143 E C 2.190 178.772 176.600 -0.030 0.000 0.979 1143 E CA 1.886 58.294 56.400 0.013 0.000 0.807 1143 E CB -0.580 29.121 29.700 0.001 0.000 0.761 1143 E HN 0.393 nan 8.360 nan 0.000 0.454 1144 T N -2.413 112.079 114.554 -0.103 0.000 3.054 1144 T HA 0.079 4.430 4.350 0.001 0.000 0.255 1144 T C 0.620 175.257 174.700 -0.105 0.000 1.035 1144 T CA 0.177 62.222 62.100 -0.091 0.000 0.941 1144 T CB -0.292 68.518 68.868 -0.095 0.000 1.026 1144 T HN 0.210 nan 8.240 nan 0.000 0.533 1145 N N 1.315 119.903 118.700 -0.186 0.000 2.725 1145 N HA -0.213 4.527 4.740 0.001 0.000 0.251 1145 N C -0.510 174.992 175.510 -0.014 0.000 1.031 1145 N CA 0.388 53.398 53.050 -0.068 0.000 0.720 1145 N CB -0.959 37.575 38.487 0.078 0.000 0.930 1145 N HN 0.816 nan 8.380 nan 0.000 0.543 1146 S N -0.659 114.918 115.700 -0.204 0.000 2.618 1146 S HA 0.882 5.352 4.470 0.001 0.000 0.277 1146 S C 0.065 174.623 174.600 -0.070 0.000 1.138 1146 S CA -0.008 58.160 58.200 -0.053 0.000 0.844 1146 S CB 2.214 65.377 63.200 -0.062 0.000 1.127 1146 S HN 1.088 nan 8.310 nan 0.000 0.474 1147 G N 1.268 110.095 108.800 0.046 0.000 2.675 1147 G HA2 -0.045 3.916 3.960 0.001 0.000 0.686 1147 G HA3 -0.045 3.916 3.960 0.001 0.000 0.686 1147 G C -1.371 173.618 174.900 0.148 0.000 1.215 1147 G CA -1.082 44.052 45.100 0.057 0.000 0.777 1147 G HN 0.852 nan 8.290 nan 0.000 0.638 1148 N N 0.750 119.488 118.700 0.064 0.000 2.405 1148 N HA 0.426 5.167 4.740 0.001 0.000 0.260 1148 N C 1.292 176.721 175.510 -0.135 0.000 1.152 1148 N CA 0.553 53.614 53.050 0.018 0.000 0.948 1148 N CB 1.527 40.026 38.487 0.021 0.000 1.111 1148 N HN 0.976 nan 8.380 nan 0.000 0.485 1149 A N 3.130 125.718 122.820 -0.385 0.000 1.930 1149 A HA 0.138 4.458 4.320 0.001 0.000 0.215 1149 A C 0.220 177.036 177.584 -1.280 0.000 1.176 1149 A CA 0.930 52.313 52.037 -1.090 0.000 0.632 1149 A CB 0.059 17.686 19.000 -2.288 0.000 0.819 1149 A HN 0.552 nan 8.150 nan 0.000 0.445 1150 F N -4.051 115.666 119.950 -0.387 0.000 2.611 1150 F HA 0.508 5.036 4.527 0.001 0.000 0.324 1150 F C 1.026 176.681 175.800 -0.242 0.000 1.061 1150 F CA -0.698 57.036 58.000 -0.442 0.000 0.954 1150 F CB 1.014 39.522 39.000 -0.820 0.000 1.301 1150 F HN 0.085 nan 8.300 nan 0.000 0.482 1151 H N -0.177 118.809 119.070 -0.139 0.000 2.465 1151 H HA 0.137 4.694 4.556 0.001 0.000 0.289 1151 H C -1.009 174.377 175.328 0.097 0.000 1.022 1151 H CA 1.166 57.203 56.048 -0.018 0.000 1.340 1151 H CB 0.264 30.046 29.762 0.033 0.000 1.437 1151 H HN 0.508 nan 8.280 nan 0.000 0.539 1152 Y N -4.248 115.944 120.300 -0.179 0.000 2.852 1152 Y HA 0.401 4.951 4.550 0.001 0.000 0.350 1152 Y C -2.044 173.594 175.900 -0.436 0.000 1.272 1152 Y CA -2.105 55.889 58.100 -0.176 0.000 1.086 1152 Y CB 0.353 38.757 38.460 -0.093 0.000 1.408 1152 Y HN -0.204 nan 8.280 nan 0.000 0.447 1153 F N 0.244 120.225 119.950 0.052 0.000 2.546 1153 F HA 0.735 5.263 4.527 0.001 0.000 0.320 1153 F C -0.074 175.485 175.800 -0.403 0.000 1.076 1153 F CA -0.923 56.878 58.000 -0.332 0.000 0.928 1153 F CB 2.554 41.241 39.000 -0.522 0.000 1.189 1153 F HN 0.512 nan 8.300 nan 0.000 0.465 1154 T N 2.022 116.434 114.554 -0.237 0.000 2.824 1154 T HA 0.565 4.915 4.350 0.001 0.000 0.280 1154 T C -1.162 173.369 174.700 -0.283 0.000 0.995 1154 T CA -0.419 61.611 62.100 -0.116 0.000 1.009 1154 T CB 0.480 69.376 68.868 0.047 0.000 0.955 1154 T HN 0.302 nan 8.240 nan 0.000 0.452 1155 Y N 0.315 120.701 120.300 0.143 0.000 2.598 1155 Y HA 0.799 5.350 4.550 0.001 0.000 0.340 1155 Y C 0.706 176.653 175.900 0.078 0.000 1.038 1155 Y CA -0.914 57.237 58.100 0.085 0.000 1.100 1155 Y CB 2.358 40.794 38.460 -0.040 0.000 1.281 1155 Y HN 0.905 nan 8.280 nan 0.000 0.488 1156 G N -0.337 108.623 108.800 0.266 0.000 2.489 1156 G HA2 0.544 4.505 3.960 0.001 0.000 0.291 1156 G HA3 0.544 4.505 3.960 0.001 0.000 0.291 1156 G C -2.459 172.563 174.900 0.203 0.000 1.487 1156 G CA -0.697 44.520 45.100 0.193 0.000 0.795 1156 G HN 0.499 nan 8.290 nan 0.000 0.513 1157 V N -0.389 119.626 119.914 0.168 0.000 2.888 1157 V HA 0.900 5.020 4.120 0.001 0.000 0.309 1157 V C -0.092 176.064 176.094 0.103 0.000 1.114 1157 V CA -0.211 62.195 62.300 0.177 0.000 0.940 1157 V CB 1.755 33.693 31.823 0.191 0.000 1.021 1157 V HN 1.841 nan 8.190 nan 0.000 0.426 1158 A N 2.318 125.198 122.820 0.100 0.000 2.455 1158 A HA 0.774 5.095 4.320 0.001 0.000 0.300 1158 A C -1.042 176.564 177.584 0.037 0.000 1.040 1158 A CA -0.450 51.627 52.037 0.068 0.000 0.697 1158 A CB 1.715 20.809 19.000 0.158 0.000 1.265 1158 A HN 1.123 nan 8.150 nan 0.000 0.407 1159 C N 2.066 121.367 119.300 0.002 0.000 2.340 1159 C HA 0.850 5.310 4.460 0.001 0.000 0.323 1159 C C -0.117 174.906 174.990 0.055 0.000 1.260 1159 C CA -0.072 58.951 59.018 0.008 0.000 1.464 1159 C CB 0.058 27.775 27.740 -0.038 0.000 2.156 1159 C HN 0.840 nan 8.230 nan 0.000 0.476 1160 S N 3.808 119.564 115.700 0.093 0.000 2.526 1160 S HA 0.590 5.060 4.470 0.001 0.000 0.293 1160 S C -1.195 173.446 174.600 0.068 0.000 1.092 1160 S CA -0.461 57.797 58.200 0.096 0.000 0.980 1160 S CB 1.701 65.001 63.200 0.167 0.000 1.048 1160 S HN 0.878 nan 8.310 nan 0.000 0.483 1161 E N 1.663 121.884 120.200 0.035 0.000 2.222 1161 E HA 0.681 5.031 4.350 0.001 0.000 0.267 1161 E C -1.170 175.430 176.600 0.000 0.000 0.884 1161 E CA -0.775 55.624 56.400 -0.001 0.000 0.764 1161 E CB 1.523 31.197 29.700 -0.043 0.000 1.169 1161 E HN 0.512 nan 8.360 nan 0.000 0.413 1162 V N 0.324 120.234 119.914 -0.006 0.000 3.167 1162 V HA 0.688 4.808 4.120 0.001 0.000 0.310 1162 V C -1.103 174.972 176.094 -0.033 0.000 1.207 1162 V CA -0.804 61.512 62.300 0.027 0.000 1.059 1162 V CB 1.921 33.812 31.823 0.114 0.000 1.079 1162 V HN 0.811 nan 8.190 nan 0.000 0.446 1163 E N 1.357 121.559 120.200 0.003 0.000 2.260 1163 E HA 0.617 4.968 4.350 0.001 0.000 0.266 1163 E C -1.243 175.412 176.600 0.091 0.000 0.887 1163 E CA -0.859 55.521 56.400 -0.033 0.000 0.777 1163 E CB 2.089 31.706 29.700 -0.137 0.000 1.205 1163 E HN 0.955 nan 8.360 nan 0.000 0.414 1164 I N 0.666 121.300 120.570 0.107 0.000 2.525 1164 I HA 0.542 4.713 4.170 0.001 0.000 0.301 1164 I C -0.396 175.814 176.117 0.155 0.000 0.992 1164 I CA -0.843 60.540 61.300 0.138 0.000 1.162 1164 I CB 1.772 39.820 38.000 0.079 0.000 1.332 1164 I HN 0.357 nan 8.210 nan 0.000 0.458 1165 D N 4.879 125.373 120.400 0.156 0.000 2.396 1165 D HA 0.234 4.874 4.640 0.001 0.000 0.225 1165 D C 0.578 176.972 176.300 0.157 0.000 1.121 1165 D CA -0.409 53.688 54.000 0.162 0.000 0.853 1165 D CB 1.484 42.370 40.800 0.142 0.000 1.043 1165 D HN 0.759 nan 8.370 nan 0.000 0.500 1166 C N 3.430 122.848 119.300 0.197 0.000 2.449 1166 C HA -0.014 4.446 4.460 0.001 0.000 0.283 1166 C C 2.432 177.548 174.990 0.210 0.000 1.453 1166 C CA 0.083 59.224 59.018 0.206 0.000 1.779 1166 C CB -0.909 26.989 27.740 0.263 0.000 1.779 1166 C HN 0.655 nan 8.230 nan 0.000 0.546 1167 L N 0.427 121.753 121.223 0.171 0.000 2.463 1167 L HA 0.037 4.377 4.340 0.001 0.000 0.219 1167 L C 2.496 179.376 176.870 0.018 0.000 1.088 1167 L CA 1.504 56.376 54.840 0.053 0.000 0.849 1167 L CB -0.274 41.755 42.059 -0.049 0.000 1.012 1167 L HN 0.492 nan 8.230 nan 0.000 0.468 1168 T N -5.967 108.636 114.554 0.082 0.000 2.954 1168 T HA 0.306 4.657 4.350 0.001 0.000 0.252 1168 T C 1.425 176.257 174.700 0.220 0.000 0.983 1168 T CA 0.623 62.792 62.100 0.114 0.000 0.941 1168 T CB 1.151 70.098 68.868 0.132 0.000 1.141 1168 T HN 0.254 nan 8.240 nan 0.000 0.500 1169 G N 1.491 110.383 108.800 0.153 0.000 2.213 1169 G HA2 -0.207 3.754 3.960 0.001 0.000 0.236 1169 G HA3 -0.207 3.754 3.960 0.001 0.000 0.236 1169 G C -0.159 174.801 174.900 0.100 0.000 0.991 1169 G CA 0.139 45.296 45.100 0.095 0.000 0.629 1169 G HN 0.851 nan 8.290 nan 0.000 0.517 1170 D N 1.147 121.620 120.400 0.121 0.000 2.360 1170 D HA 0.525 5.165 4.640 0.001 0.000 0.242 1170 D C 0.579 176.990 176.300 0.185 0.000 1.184 1170 D CA 0.546 54.610 54.000 0.106 0.000 0.930 1170 D CB 0.302 41.118 40.800 0.028 0.000 1.161 1170 D HN 0.632 nan 8.370 nan 0.000 0.447 1171 H N -0.933 118.155 119.070 0.030 0.000 3.042 1171 H HA 0.430 4.987 4.556 0.001 0.000 0.346 1171 H C -1.363 174.010 175.328 0.075 0.000 1.294 1171 H CA -0.971 55.104 56.048 0.045 0.000 1.141 1171 H CB 0.562 30.326 29.762 0.002 0.000 1.872 1171 H HN 0.310 nan 8.280 nan 0.000 0.541 1172 K N 1.425 121.798 120.400 -0.044 0.000 2.207 1172 K HA 0.302 4.622 4.320 0.001 0.000 0.255 1172 K C -0.584 175.997 176.600 -0.032 0.000 0.941 1172 K CA -1.038 55.207 56.287 -0.070 0.000 0.825 1172 K CB 1.331 33.840 32.500 0.015 0.000 1.119 1172 K HN 0.449 nan 8.250 nan 0.000 0.430 1173 N N 4.012 122.680 118.700 -0.054 0.000 2.558 1173 N HA 0.119 4.859 4.740 0.001 0.000 0.233 1173 N C 0.808 176.316 175.510 -0.004 0.000 1.038 1173 N CA 0.014 53.075 53.050 0.018 0.000 0.934 1173 N CB 0.736 39.229 38.487 0.010 0.000 1.175 1173 N HN 0.441 nan 8.380 nan 0.000 0.512 1174 L N 0.813 122.026 121.223 -0.017 0.000 2.005 1174 L HA 0.034 4.374 4.340 0.001 0.000 0.207 1174 L C 1.133 177.993 176.870 -0.016 0.000 1.072 1174 L CA 1.098 55.911 54.840 -0.045 0.000 0.744 1174 L CB 0.020 42.015 42.059 -0.107 0.000 0.895 1174 L HN 0.382 nan 8.230 nan 0.000 0.433 1175 R N -1.201 119.291 120.500 -0.014 0.000 2.594 1175 R HA 0.393 4.733 4.340 0.001 0.000 0.265 1175 R C -1.707 174.591 176.300 -0.003 0.000 1.070 1175 R CA -0.358 55.742 56.100 -0.000 0.000 0.909 1175 R CB 2.097 32.402 30.300 0.009 0.000 1.243 1175 R HN -0.208 nan 8.270 nan 0.000 0.455 1176 T N 2.385 116.932 114.554 -0.011 0.000 2.921 1176 T HA 0.338 4.688 4.350 0.001 0.000 0.297 1176 T C -1.751 172.966 174.700 0.028 0.000 1.013 1176 T CA -0.620 61.463 62.100 -0.028 0.000 0.990 1176 T CB 1.619 70.369 68.868 -0.197 0.000 1.023 1176 T HN 0.557 nan 8.240 nan 0.000 0.447 1177 D N 2.041 122.440 120.400 -0.001 0.000 2.502 1177 D HA 0.621 5.262 4.640 0.001 0.000 0.249 1177 D C -0.604 175.676 176.300 -0.033 0.000 1.092 1177 D CA -0.353 53.647 54.000 -0.001 0.000 0.839 1177 D CB 1.563 42.357 40.800 -0.011 0.000 1.264 1177 D HN 0.355 nan 8.370 nan 0.000 0.511 1178 I N 1.877 122.425 120.570 -0.038 0.000 2.545 1178 I HA 0.450 4.620 4.170 0.001 0.000 0.292 1178 I C -0.904 175.204 176.117 -0.014 0.000 1.040 1178 I CA -1.117 60.161 61.300 -0.036 0.000 1.068 1178 I CB 2.150 40.105 38.000 -0.075 0.000 1.251 1178 I HN 0.038 nan 8.210 nan 0.000 0.424 1179 V N 6.334 126.256 119.914 0.013 0.000 2.376 1179 V HA 0.458 4.579 4.120 0.001 0.000 0.287 1179 V C -0.395 175.733 176.094 0.056 0.000 1.015 1179 V CA -0.412 61.903 62.300 0.026 0.000 0.834 1179 V CB 1.645 33.482 31.823 0.024 0.000 1.001 1179 V HN 0.643 nan 8.190 nan 0.000 0.428 1180 M N 4.031 123.664 119.600 0.054 0.000 2.383 1180 M HA 0.546 5.027 4.480 0.001 0.000 0.325 1180 M C -0.908 175.441 176.300 0.080 0.000 1.092 1180 M CA -0.411 54.934 55.300 0.076 0.000 0.961 1180 M CB 1.816 34.451 32.600 0.059 0.000 1.672 1180 M HN 0.650 nan 8.290 nan 0.000 0.438 1181 D N 3.329 123.797 120.400 0.113 0.000 2.443 1181 D HA 0.359 5.000 4.640 0.001 0.000 0.221 1181 D C -0.150 176.215 176.300 0.109 0.000 1.097 1181 D CA -0.407 53.663 54.000 0.117 0.000 0.865 1181 D CB 0.663 41.567 40.800 0.174 0.000 1.034 1181 D HN 0.401 nan 8.370 nan 0.000 0.511 1182 V N 2.135 122.091 119.914 0.071 0.000 2.982 1182 V HA 0.619 4.739 4.120 0.001 0.000 0.368 1182 V C 1.242 177.355 176.094 0.032 0.000 1.350 1182 V CA 0.138 62.471 62.300 0.055 0.000 1.251 1182 V CB -0.391 31.451 31.823 0.032 0.000 1.284 1182 V HN 0.654 nan 8.190 nan 0.000 0.533 1183 G N 1.606 110.425 108.800 0.032 0.000 2.594 1183 G HA2 -0.278 3.683 3.960 0.001 0.000 0.297 1183 G HA3 -0.278 3.683 3.960 0.001 0.000 0.297 1183 G C 0.165 175.070 174.900 0.009 0.000 1.273 1183 G CA 0.200 45.301 45.100 0.003 0.000 0.974 1183 G HN 0.994 nan 8.290 nan 0.000 0.552 1184 S N 0.556 116.256 115.700 -0.001 0.000 2.681 1184 S HA 0.504 4.974 4.470 0.001 0.000 0.313 1184 S C 0.581 175.188 174.600 0.012 0.000 1.137 1184 S CA 0.643 58.850 58.200 0.011 0.000 1.045 1184 S CB 0.960 64.166 63.200 0.010 0.000 1.208 1184 S HN 1.210 nan 8.310 nan 0.000 0.523 1185 S N 3.177 118.886 115.700 0.014 0.000 2.593 1185 S HA 0.057 4.528 4.470 0.001 0.000 0.300 1185 S C 1.295 175.892 174.600 -0.005 0.000 1.267 1185 S CA -0.378 57.821 58.200 -0.001 0.000 1.065 1185 S CB 0.035 63.225 63.200 -0.016 0.000 0.807 1185 S HN 0.659 nan 8.310 nan 0.000 0.499 1186 L N 3.483 124.702 121.223 -0.007 0.000 2.240 1186 L HA 0.128 4.469 4.340 0.001 0.000 0.211 1186 L C 1.144 177.995 176.870 -0.031 0.000 1.106 1186 L CA 0.497 55.336 54.840 -0.001 0.000 0.793 1186 L CB -0.200 41.870 42.059 0.019 0.000 0.927 1186 L HN 0.640 nan 8.230 nan 0.000 0.446 1187 N N -0.709 117.955 118.700 -0.059 0.000 2.747 1187 N HA 0.109 4.849 4.740 0.001 0.000 0.262 1187 N C -2.259 173.149 175.510 -0.171 0.000 1.261 1187 N CA -1.095 51.894 53.050 -0.102 0.000 0.809 1187 N CB 1.535 39.966 38.487 -0.092 0.000 1.450 1187 N HN -0.250 nan 8.380 nan 0.000 0.560 1188 P HA -0.106 nan 4.420 nan 0.000 0.219 1188 P C 1.056 178.072 177.300 -0.474 0.000 1.146 1188 P CA 0.921 63.793 63.100 -0.380 0.000 0.808 1188 P CB 0.439 31.770 31.700 -0.615 0.000 0.779 1189 A N 0.433 122.948 122.820 -0.508 0.000 1.873 1189 A HA -0.130 4.190 4.320 0.001 0.000 0.215 1189 A C 2.271 179.599 177.584 -0.427 0.000 1.186 1189 A CA 1.379 53.044 52.037 -0.620 0.000 0.616 1189 A CB -1.279 17.119 19.000 -1.004 0.000 0.823 1189 A HN 0.017 nan 8.150 nan 0.000 0.442 1190 I N 0.667 121.063 120.570 -0.289 0.000 2.252 1190 I HA -0.179 3.991 4.170 0.001 0.000 0.245 1190 I C 1.683 177.730 176.117 -0.117 0.000 1.102 1190 I CA 1.505 62.714 61.300 -0.151 0.000 1.385 1190 I CB -1.555 36.386 38.000 -0.097 0.000 1.064 1190 I HN 0.278 nan 8.210 nan 0.000 0.414 1191 D N 0.807 121.128 120.400 -0.131 0.000 2.144 1191 D HA -0.091 4.549 4.640 0.001 0.000 0.200 1191 D C 2.379 178.624 176.300 -0.091 0.000 0.978 1191 D CA 0.990 54.936 54.000 -0.090 0.000 0.833 1191 D CB -0.060 40.693 40.800 -0.078 0.000 0.961 1191 D HN 0.311 nan 8.370 nan 0.000 0.470 1192 I N 0.895 121.379 120.570 -0.142 0.000 2.315 1192 I HA -0.144 4.027 4.170 0.001 0.000 0.248 1192 I C 2.456 178.508 176.117 -0.109 0.000 1.117 1192 I CA 1.111 62.331 61.300 -0.134 0.000 1.404 1192 I CB -0.324 37.570 38.000 -0.176 0.000 1.071 1192 I HN 0.014 nan 8.210 nan 0.000 0.419 1193 G N -0.057 108.682 108.800 -0.102 0.000 2.422 1193 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 1193 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 1193 G C 1.579 176.474 174.900 -0.009 0.000 1.146 1193 G CA 0.313 45.383 45.100 -0.051 0.000 0.769 1193 G HN 0.276 nan 8.290 nan 0.000 0.547 1194 Q N 0.122 119.916 119.800 -0.009 0.000 2.119 1194 Q HA -0.012 4.329 4.340 0.001 0.000 0.201 1194 Q C 2.973 178.999 176.000 0.043 0.000 0.972 1194 Q CA 0.799 56.616 55.803 0.024 0.000 0.847 1194 Q CB -0.545 28.197 28.738 0.006 0.000 0.903 1194 Q HN 0.417 nan 8.270 nan 0.000 0.433 1195 V N 1.406 121.331 119.914 0.018 0.000 2.270 1195 V HA -0.244 3.876 4.120 0.001 0.000 0.245 1195 V C 2.132 178.288 176.094 0.104 0.000 1.043 1195 V CA 1.905 64.233 62.300 0.046 0.000 1.014 1195 V CB -0.471 31.349 31.823 -0.006 0.000 0.645 1195 V HN 0.380 nan 8.190 nan 0.000 0.447 1196 E N 0.257 120.474 120.200 0.029 0.000 2.077 1196 E HA -0.142 4.208 4.350 0.001 0.000 0.193 1196 E C 2.316 179.054 176.600 0.230 0.000 0.989 1196 E CA 1.237 57.694 56.400 0.095 0.000 0.800 1196 E CB -0.512 29.125 29.700 -0.106 0.000 0.746 1196 E HN 0.642 nan 8.360 nan 0.000 0.452 1197 G N 1.298 110.176 108.800 0.129 0.000 2.421 1197 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 1197 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 1197 G C 1.715 176.697 174.900 0.137 0.000 1.171 1197 G CA 0.902 46.071 45.100 0.116 0.000 0.775 1197 G HN 0.345 nan 8.290 nan 0.000 0.543 1198 A N 0.337 123.248 122.820 0.152 0.000 1.902 1198 A HA 0.065 4.385 4.320 0.001 0.000 0.217 1198 A C 2.181 179.853 177.584 0.146 0.000 1.181 1198 A CA 1.577 53.694 52.037 0.132 0.000 0.623 1198 A CB -0.573 18.493 19.000 0.110 0.000 0.818 1198 A HN 0.414 nan 8.150 nan 0.000 0.443 1199 F N 0.697 120.707 119.950 0.100 0.000 2.126 1199 F HA -0.161 4.366 4.527 0.001 0.000 0.299 1199 F C 2.157 178.018 175.800 0.102 0.000 1.096 1199 F CA 1.994 60.071 58.000 0.129 0.000 1.255 1199 F CB -0.180 38.955 39.000 0.225 0.000 0.997 1199 F HN 0.029 nan 8.300 nan 0.000 0.479 1200 V N 0.207 120.231 119.914 0.183 0.000 2.427 1200 V HA -0.276 3.845 4.120 0.001 0.000 0.248 1200 V C 2.273 178.312 176.094 -0.091 0.000 1.051 1200 V CA 2.025 64.353 62.300 0.047 0.000 1.048 1200 V CB -0.697 31.228 31.823 0.171 0.000 0.666 1200 V HN 0.395 nan 8.190 nan 0.000 0.456 1201 Q N -0.106 119.643 119.800 -0.085 0.000 2.167 1201 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 1201 Q C 2.351 178.198 176.000 -0.256 0.000 0.970 1201 Q CA 1.503 57.219 55.803 -0.145 0.000 0.855 1201 Q CB -0.381 28.300 28.738 -0.095 0.000 0.911 1201 Q HN 0.728 nan 8.270 nan 0.000 0.438 1202 G N 0.932 109.576 108.800 -0.260 0.000 2.402 1202 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 1202 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 1202 G C 1.356 176.040 174.900 -0.359 0.000 1.162 1202 G CA 0.389 45.272 45.100 -0.361 0.000 0.777 1202 G HN 0.248 nan 8.290 nan 0.000 0.539 1203 L N 1.756 122.769 121.223 -0.349 0.000 2.042 1203 L HA 0.066 4.406 4.340 0.001 0.000 0.210 1203 L C 2.741 179.501 176.870 -0.183 0.000 1.076 1203 L CA 2.365 57.046 54.840 -0.264 0.000 0.749 1203 L CB -0.968 40.895 42.059 -0.325 0.000 0.893 1203 L HN 0.174 nan 8.230 nan 0.000 0.432 1204 G N -0.684 107.980 108.800 -0.227 0.000 2.404 1204 G HA2 -0.280 3.681 3.960 0.001 0.000 0.215 1204 G HA3 -0.280 3.681 3.960 0.001 0.000 0.215 1204 G C 1.578 176.295 174.900 -0.305 0.000 1.174 1204 G CA 0.854 45.816 45.100 -0.230 0.000 0.780 1204 G HN 0.425 nan 8.290 nan 0.000 0.537 1205 L N -0.088 120.856 121.223 -0.464 0.000 2.013 1205 L HA 0.040 4.381 4.340 0.001 0.000 0.212 1205 L C 2.437 178.959 176.870 -0.580 0.000 1.073 1205 L CA 1.797 56.251 54.840 -0.644 0.000 0.753 1205 L CB -0.601 40.832 42.059 -1.043 0.000 0.890 1205 L HN 0.276 nan 8.230 nan 0.000 0.432 1206 F N -1.352 118.426 119.950 -0.287 0.000 2.710 1206 F HA 0.029 4.556 4.527 0.001 0.000 0.298 1206 F C 1.816 177.580 175.800 -0.061 0.000 1.137 1206 F CA 0.681 58.525 58.000 -0.261 0.000 1.444 1206 F CB -0.266 38.563 39.000 -0.286 0.000 1.111 1206 F HN 0.326 nan 8.300 nan 0.000 0.580 1207 T N -4.979 109.601 114.554 0.044 0.000 3.046 1207 T HA 0.218 4.569 4.350 0.001 0.000 0.270 1207 T C 0.872 175.558 174.700 -0.024 0.000 0.920 1207 T CA 0.081 62.194 62.100 0.022 0.000 0.874 1207 T CB 0.103 68.988 68.868 0.028 0.000 1.214 1207 T HN 0.090 nan 8.240 nan 0.000 0.536 1208 L N 0.466 121.636 121.223 -0.089 0.000 2.746 1208 L HA 0.550 4.891 4.340 0.001 0.000 0.230 1208 L C 0.002 176.739 176.870 -0.221 0.000 1.034 1208 L CA 0.440 55.203 54.840 -0.128 0.000 0.922 1208 L CB 0.506 42.482 42.059 -0.138 0.000 1.496 1208 L HN 0.192 nan 8.230 nan 0.000 0.498 1209 E N 1.361 121.379 120.200 -0.303 0.000 2.290 1209 E HA 0.308 4.659 4.350 0.001 0.000 0.277 1209 E C -0.406 176.068 176.600 -0.210 0.000 1.035 1209 E CA 0.177 56.301 56.400 -0.459 0.000 0.873 1209 E CB 0.754 30.168 29.700 -0.476 0.000 1.029 1209 E HN 0.090 nan 8.360 nan 0.000 0.419 1210 E N 3.654 123.770 120.200 -0.140 0.000 2.321 1210 E HA 0.260 4.611 4.350 0.001 0.000 0.281 1210 E C -1.638 174.935 176.600 -0.046 0.000 0.910 1210 E CA -0.503 55.856 56.400 -0.068 0.000 0.770 1210 E CB 1.061 30.670 29.700 -0.152 0.000 1.225 1210 E HN 0.356 nan 8.360 nan 0.000 0.417 1211 L N 4.059 125.252 121.223 -0.051 0.000 2.307 1211 L HA 0.510 4.851 4.340 0.001 0.000 0.284 1211 L C -0.660 176.049 176.870 -0.269 0.000 1.023 1211 L CA -0.726 54.042 54.840 -0.120 0.000 0.810 1211 L CB 1.277 43.311 42.059 -0.041 0.000 1.231 1211 L HN 0.600 nan 8.230 nan 0.000 0.423 1212 H N 1.924 120.970 119.070 -0.039 0.000 2.469 1212 H HA 0.553 5.109 4.556 0.001 0.000 0.342 1212 H C -1.348 173.898 175.328 -0.136 0.000 1.115 1212 H CA -0.391 55.700 56.048 0.072 0.000 1.204 1212 H CB 1.478 31.345 29.762 0.176 0.000 1.492 1212 H HN 0.312 nan 8.280 nan 0.000 0.499 1213 Y N 0.131 120.549 120.300 0.197 0.000 2.499 1213 Y HA 0.301 4.851 4.550 0.001 0.000 0.347 1213 Y C 0.377 176.236 175.900 -0.069 0.000 0.987 1213 Y CA -1.139 56.940 58.100 -0.036 0.000 1.044 1213 Y CB 1.768 40.222 38.460 -0.010 0.000 1.245 1213 Y HN 0.685 nan 8.280 nan 0.000 0.461 1214 S N 1.252 116.847 115.700 -0.174 0.000 2.608 1214 S HA 0.220 4.690 4.470 0.001 0.000 0.261 1214 S C -2.087 172.558 174.600 0.074 0.000 1.314 1214 S CA -0.915 57.285 58.200 0.000 0.000 0.992 1214 S CB 1.119 64.275 63.200 -0.074 0.000 0.935 1214 S HN 0.474 nan 8.310 nan 0.000 0.564 1215 P HA -0.081 nan 4.420 nan 0.000 0.220 1215 P C 0.968 178.286 177.300 0.029 0.000 1.148 1215 P CA 0.967 64.098 63.100 0.052 0.000 0.803 1215 P CB -0.034 31.694 31.700 0.045 0.000 0.782 1216 E N -1.159 119.057 120.200 0.026 0.000 2.502 1216 E HA 0.116 4.466 4.350 0.001 0.000 0.194 1216 E C 1.236 177.846 176.600 0.015 0.000 1.062 1216 E CA 0.760 57.169 56.400 0.015 0.000 0.867 1216 E CB -0.910 28.796 29.700 0.010 0.000 0.888 1216 E HN 0.223 nan 8.360 nan 0.000 0.510 1217 G N 1.130 109.947 108.800 0.028 0.000 2.130 1217 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 1217 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 1217 G C 0.015 174.979 174.900 0.107 0.000 0.999 1217 G CA 0.357 45.486 45.100 0.048 0.000 0.686 1217 G HN 0.352 nan 8.290 nan 0.000 0.515 1218 S N -0.178 115.553 115.700 0.052 0.000 2.429 1218 S HA 0.622 5.093 4.470 0.001 0.000 0.302 1218 S C 0.370 174.912 174.600 -0.097 0.000 1.115 1218 S CA -0.657 57.548 58.200 0.008 0.000 1.095 1218 S CB 0.852 64.027 63.200 -0.042 0.000 0.987 1218 S HN 1.250 nan 8.310 nan 0.000 0.474 1219 L N 6.900 128.097 121.223 -0.044 0.000 2.513 1219 L HA 0.231 4.571 4.340 0.001 0.000 0.272 1219 L C 1.107 177.852 176.870 -0.208 0.000 1.187 1219 L CA 0.816 55.466 54.840 -0.316 0.000 0.895 1219 L CB 0.206 42.109 42.059 -0.260 0.000 1.147 1219 L HN 0.800 nan 8.230 nan 0.000 0.483 1220 H N 1.897 120.897 119.070 -0.117 0.000 2.399 1220 H HA 0.027 4.584 4.556 0.001 0.000 0.300 1220 H C 0.388 175.712 175.328 -0.007 0.000 1.048 1220 H CA 1.103 57.141 56.048 -0.017 0.000 1.370 1220 H CB 0.166 29.947 29.762 0.030 0.000 1.428 1220 H HN 0.638 nan 8.280 nan 0.000 0.534 1221 T N 2.215 116.830 114.554 0.101 0.000 2.863 1221 T HA 0.219 4.570 4.350 0.001 0.000 0.299 1221 T C 0.571 175.288 174.700 0.030 0.000 0.973 1221 T CA -0.426 61.730 62.100 0.094 0.000 0.994 1221 T CB -0.084 68.875 68.868 0.151 0.000 0.961 1221 T HN 0.271 nan 8.240 nan 0.000 0.552 1222 R N 3.355 123.891 120.500 0.060 0.000 2.700 1222 R HA 0.442 4.783 4.340 0.001 0.000 0.399 1222 R C 0.543 176.902 176.300 0.099 0.000 1.115 1222 R CA -0.655 55.481 56.100 0.061 0.000 1.058 1222 R CB 1.095 31.439 30.300 0.074 0.000 1.389 1222 R HN 0.685 nan 8.270 nan 0.000 0.582 1223 G N 0.416 109.303 108.800 0.144 0.000 2.523 1223 G HA2 0.152 4.113 3.960 0.001 0.000 0.291 1223 G HA3 0.152 4.113 3.960 0.001 0.000 0.291 1223 G C -2.624 172.439 174.900 0.272 0.000 1.450 1223 G CA -0.834 44.383 45.100 0.196 0.000 0.790 1223 G HN -0.268 nan 8.290 nan 0.000 0.496 1224 P HA -0.109 nan 4.420 nan 0.000 0.222 1224 P C 1.860 179.210 177.300 0.082 0.000 1.147 1224 P CA 1.861 65.069 63.100 0.180 0.000 0.790 1224 P CB 0.152 31.987 31.700 0.226 0.000 0.780 1225 S N -0.316 115.425 115.700 0.069 0.000 2.402 1225 S HA -0.102 4.369 4.470 0.001 0.000 0.229 1225 S C 1.830 176.450 174.600 0.032 0.000 1.021 1225 S CA 1.903 60.118 58.200 0.024 0.000 0.974 1225 S CB -1.711 61.478 63.200 -0.017 0.000 0.800 1225 S HN 0.366 nan 8.310 nan 0.000 0.484 1226 T N -3.799 110.799 114.554 0.073 0.000 2.955 1226 T HA 0.266 4.616 4.350 0.001 0.000 0.251 1226 T C -0.003 174.788 174.700 0.151 0.000 1.002 1226 T CA -0.368 61.792 62.100 0.100 0.000 0.970 1226 T CB -0.364 68.571 68.868 0.112 0.000 1.091 1226 T HN 0.346 nan 8.240 nan 0.000 0.495 1227 Y N 3.308 123.614 120.300 0.011 0.000 2.369 1227 Y HA 0.523 5.073 4.550 0.001 0.000 0.337 1227 Y C -0.848 174.989 175.900 -0.105 0.000 0.961 1227 Y CA -1.700 56.385 58.100 -0.024 0.000 1.186 1227 Y CB 0.808 39.280 38.460 0.020 0.000 1.139 1227 Y HN -0.146 nan 8.280 nan 0.000 0.494 1228 K N 8.957 129.091 120.400 -0.443 0.000 2.299 1228 K HA 0.289 4.609 4.320 0.001 0.000 0.268 1228 K C -0.094 176.209 176.600 -0.494 0.000 1.075 1228 K CA -0.313 55.749 56.287 -0.375 0.000 0.936 1228 K CB 0.465 32.839 32.500 -0.210 0.000 1.228 1228 K HN 0.818 nan 8.250 nan 0.000 0.454 1229 I N -0.759 119.528 120.570 -0.472 0.000 2.970 1229 I HA 0.432 4.603 4.170 0.001 0.000 0.310 1229 I C -2.178 173.829 176.117 -0.184 0.000 1.010 1229 I CA -2.698 58.385 61.300 -0.363 0.000 1.228 1229 I CB 0.350 38.145 38.000 -0.341 0.000 1.433 1229 I HN 0.133 nan 8.210 nan 0.000 0.573 1230 P HA 0.116 nan 4.420 nan 0.000 0.266 1230 P C -0.862 176.492 177.300 0.091 0.000 1.195 1230 P CA 0.172 63.277 63.100 0.008 0.000 0.768 1230 P CB 0.673 32.416 31.700 0.071 0.000 0.838 1231 A N 2.291 125.075 122.820 -0.060 0.000 2.282 1231 A HA 0.483 4.804 4.320 0.001 0.000 0.324 1231 A C 0.721 177.872 177.584 -0.722 0.000 1.119 1231 A CA -0.489 51.414 52.037 -0.224 0.000 0.880 1231 A CB -0.039 18.929 19.000 -0.053 0.000 1.294 1231 A HN 0.429 nan 8.150 nan 0.000 0.493 1232 F N 0.626 119.978 119.950 -0.997 0.000 2.115 1232 F HA -0.142 4.385 4.527 0.001 0.000 0.300 1232 F C 2.497 178.115 175.800 -0.305 0.000 1.092 1232 F CA 2.595 60.082 58.000 -0.854 0.000 1.245 1232 F CB -0.315 38.516 39.000 -0.281 0.000 0.995 1232 F HN 0.637 nan 8.300 nan 0.000 0.481 1233 G N -2.012 106.811 108.800 0.038 0.000 2.848 1233 G HA2 -0.065 3.895 3.960 0.001 0.000 0.208 1233 G HA3 -0.065 3.895 3.960 0.001 0.000 0.208 1233 G C 1.497 176.406 174.900 0.015 0.000 1.152 1233 G CA 0.683 45.829 45.100 0.078 0.000 0.789 1233 G HN 0.322 nan 8.290 nan 0.000 0.531 1234 S N 0.043 115.712 115.700 -0.051 0.000 2.501 1234 S HA 0.159 4.629 4.470 0.001 0.000 0.220 1234 S C 1.209 175.797 174.600 -0.021 0.000 0.997 1234 S CA -0.317 57.852 58.200 -0.052 0.000 0.919 1234 S CB -0.099 63.069 63.200 -0.054 0.000 0.778 1234 S HN 0.618 nan 8.310 nan 0.000 0.523 1235 I N 0.816 121.393 120.570 0.012 0.000 2.823 1235 I HA 0.342 4.512 4.170 0.001 0.000 0.290 1235 I C -2.592 173.487 176.117 -0.063 0.000 1.091 1235 I CA -2.440 58.859 61.300 -0.001 0.000 1.365 1235 I CB 0.113 38.177 38.000 0.106 0.000 1.427 1235 I HN -0.161 nan 8.210 nan 0.000 0.583 1236 P HA 0.018 nan 4.420 nan 0.000 0.264 1236 P C 0.406 177.678 177.300 -0.047 0.000 1.193 1236 P CA 0.035 63.026 63.100 -0.181 0.000 0.763 1236 P CB 0.708 32.181 31.700 -0.377 0.000 0.810 1237 T N 1.348 115.928 114.554 0.043 0.000 2.720 1237 T HA -0.174 4.177 4.350 0.001 0.000 0.268 1237 T C 0.721 175.508 174.700 0.146 0.000 1.037 1237 T CA 1.434 63.608 62.100 0.123 0.000 1.144 1237 T CB -0.147 68.815 68.868 0.157 0.000 0.864 1237 T HN 0.518 nan 8.240 nan 0.000 0.444 1238 E N 0.192 120.463 120.200 0.119 0.000 2.092 1238 E HA 0.393 4.743 4.350 0.001 0.000 0.271 1238 E C -1.649 175.059 176.600 0.181 0.000 0.919 1238 E CA -0.420 56.066 56.400 0.144 0.000 0.760 1238 E CB 0.467 30.233 29.700 0.109 0.000 1.106 1238 E HN 0.337 nan 8.360 nan 0.000 0.408 1239 F N 5.227 125.202 119.950 0.042 0.000 2.434 1239 F HA 0.457 4.985 4.527 0.001 0.000 0.355 1239 F C -0.445 175.349 175.800 -0.009 0.000 1.115 1239 F CA -1.007 56.997 58.000 0.005 0.000 1.010 1239 F CB 0.810 39.831 39.000 0.035 0.000 1.234 1239 F HN 0.317 nan 8.300 nan 0.000 0.439 1240 R N 4.930 125.570 120.500 0.232 0.000 2.437 1240 R HA 0.663 5.004 4.340 0.001 0.000 0.310 1240 R C -1.504 174.770 176.300 -0.043 0.000 0.955 1240 R CA -0.937 55.190 56.100 0.044 0.000 0.851 1240 R CB 2.724 33.051 30.300 0.046 0.000 1.161 1240 R HN 0.307 nan 8.270 nan 0.000 0.446 1241 V N 1.834 121.682 119.914 -0.110 0.000 2.638 1241 V HA 0.418 4.538 4.120 0.001 0.000 0.306 1241 V C -0.531 175.536 176.094 -0.044 0.000 1.052 1241 V CA -0.685 61.542 62.300 -0.121 0.000 0.885 1241 V CB 2.140 33.826 31.823 -0.229 0.000 0.999 1241 V HN 0.774 nan 8.190 nan 0.000 0.424 1242 S N 5.016 120.705 115.700 -0.018 0.000 2.521 1242 S HA 0.716 5.186 4.470 0.001 0.000 0.295 1242 S C -0.740 173.878 174.600 0.030 0.000 1.098 1242 S CA -0.616 57.595 58.200 0.018 0.000 0.999 1242 S CB 1.657 64.863 63.200 0.010 0.000 1.034 1242 S HN 0.537 nan 8.310 nan 0.000 0.483 1243 L N 2.948 124.207 121.223 0.060 0.000 2.264 1243 L HA 0.429 4.770 4.340 0.001 0.000 0.289 1243 L C -0.294 176.609 176.870 0.056 0.000 1.044 1243 L CA -0.965 53.910 54.840 0.060 0.000 0.807 1243 L CB 0.896 43.003 42.059 0.080 0.000 1.192 1243 L HN 0.495 nan 8.230 nan 0.000 0.425 1244 L N 4.860 126.112 121.223 0.049 0.000 2.601 1244 L HA -0.004 4.337 4.340 0.001 0.000 0.277 1244 L C 0.486 177.379 176.870 0.038 0.000 1.219 1244 L CA 0.791 55.656 54.840 0.041 0.000 0.915 1244 L CB 0.028 42.115 42.059 0.046 0.000 1.160 1244 L HN 0.500 nan 8.230 nan 0.000 0.494 1245 R N 4.070 124.587 120.500 0.027 0.000 2.560 1245 R HA 0.208 4.548 4.340 0.001 0.000 0.270 1245 R C -0.234 176.076 176.300 0.017 0.000 1.074 1245 R CA -0.613 55.499 56.100 0.021 0.000 1.140 1245 R CB 0.335 30.639 30.300 0.007 0.000 1.073 1245 R HN 0.692 nan 8.270 nan 0.000 0.527 1246 D N 0.744 121.153 120.400 0.014 0.000 2.890 1246 D HA -0.153 4.488 4.640 0.001 0.000 0.226 1246 D C -0.322 175.986 176.300 0.013 0.000 1.207 1246 D CA 0.992 54.998 54.000 0.011 0.000 0.764 1246 D CB -0.848 39.956 40.800 0.007 0.000 0.948 1246 D HN 0.732 nan 8.370 nan 0.000 0.404 1247 C N -1.133 118.175 119.300 0.014 0.000 3.246 1247 C HA 0.339 4.800 4.460 0.001 0.000 0.204 1247 C C -2.195 172.798 174.990 0.006 0.000 1.879 1247 C CA -1.684 57.343 59.018 0.015 0.000 1.318 1247 C CB 0.351 28.107 27.740 0.028 0.000 2.288 1247 C HN 0.165 nan 8.230 nan 0.000 0.530 1248 P HA 0.069 nan 4.420 nan 0.000 0.266 1248 P C -0.558 176.715 177.300 -0.045 0.000 1.195 1248 P CA 0.813 63.902 63.100 -0.019 0.000 0.768 1248 P CB 0.721 32.413 31.700 -0.012 0.000 0.838 1249 N N 2.331 120.978 118.700 -0.089 0.000 2.609 1249 N HA 0.065 4.805 4.740 0.001 0.000 0.234 1249 N C 1.196 176.607 175.510 -0.165 0.000 1.001 1249 N CA -0.636 52.312 53.050 -0.170 0.000 0.926 1249 N CB 0.516 38.812 38.487 -0.317 0.000 1.130 1249 N HN 0.250 nan 8.380 nan 0.000 0.510 1250 K N 1.813 122.143 120.400 -0.117 0.000 2.519 1250 K HA -0.020 4.301 4.320 0.001 0.000 0.196 1250 K C 0.458 176.997 176.600 -0.101 0.000 1.041 1250 K CA 0.733 56.967 56.287 -0.088 0.000 0.954 1250 K CB 0.157 32.626 32.500 -0.052 0.000 0.774 1250 K HN 0.225 nan 8.250 nan 0.000 0.480 1251 K N 0.473 120.766 120.400 -0.178 0.000 2.426 1251 K HA 0.190 4.510 4.320 0.001 0.000 0.193 1251 K C 0.348 176.948 176.600 0.000 0.000 1.028 1251 K CA 0.360 56.564 56.287 -0.138 0.000 1.047 1251 K CB 0.822 33.108 32.500 -0.355 0.000 0.821 1251 K HN 0.327 nan 8.250 nan 0.000 0.513 1252 A N 0.741 123.479 122.820 -0.138 0.000 2.566 1252 A HA 0.454 4.774 4.320 0.001 0.000 0.292 1252 A C -0.801 176.668 177.584 -0.191 0.000 1.112 1252 A CA -0.916 51.053 52.037 -0.113 0.000 0.707 1252 A CB 0.890 19.834 19.000 -0.092 0.000 1.302 1252 A HN 0.123 nan 8.150 nan 0.000 0.409 1253 I N 1.180 121.589 120.570 -0.268 0.000 3.015 1253 I HA -0.049 4.121 4.170 0.001 0.000 0.309 1253 I C 0.230 176.208 176.117 -0.232 0.000 1.229 1253 I CA 1.500 62.558 61.300 -0.403 0.000 1.430 1253 I CB -1.131 36.628 38.000 -0.402 0.000 1.347 1253 I HN 0.643 nan 8.210 nan 0.000 0.544 1254 Y N 5.520 125.711 120.300 -0.182 0.000 3.617 1254 Y HA -0.292 4.258 4.550 0.001 0.000 0.215 1254 Y C 1.417 177.258 175.900 -0.098 0.000 1.178 1254 Y CA 0.454 58.480 58.100 -0.122 0.000 1.517 1254 Y CB -1.777 36.631 38.460 -0.087 0.000 1.457 1254 Y HN 1.084 nan 8.280 nan 0.000 0.615 1255 A N -1.044 121.775 122.820 -0.002 0.000 2.860 1255 A HA -0.246 4.075 4.320 0.001 0.000 0.267 1255 A C 0.922 178.473 177.584 -0.054 0.000 1.421 1255 A CA 1.056 53.068 52.037 -0.042 0.000 0.831 1255 A CB -1.928 17.066 19.000 -0.012 0.000 1.041 1255 A HN 1.208 nan 8.150 nan 0.000 0.623 1256 S N -1.184 114.485 115.700 -0.051 0.000 2.713 1256 S HA 0.822 5.292 4.470 0.001 0.000 0.277 1256 S C -0.116 174.432 174.600 -0.086 0.000 1.168 1256 S CA -0.264 57.912 58.200 -0.040 0.000 0.994 1256 S CB 1.575 64.773 63.200 -0.004 0.000 1.054 1256 S HN 0.556 nan 8.310 nan 0.000 0.555 1257 K N -0.426 119.966 120.400 -0.013 0.000 2.477 1257 K HA 0.639 4.959 4.320 0.001 0.000 0.255 1257 K C -0.800 175.887 176.600 0.145 0.000 0.952 1257 K CA -0.855 55.481 56.287 0.082 0.000 0.826 1257 K CB 2.245 34.804 32.500 0.099 0.000 1.331 1257 K HN 0.845 nan 8.250 nan 0.000 0.437 1258 A N 1.110 124.075 122.820 0.241 0.000 2.498 1258 A HA 0.144 4.464 4.320 0.001 0.000 0.239 1258 A C 0.580 178.187 177.584 0.038 0.000 1.068 1258 A CA 0.027 52.117 52.037 0.088 0.000 0.766 1258 A CB 0.536 19.550 19.000 0.023 0.000 1.003 1258 A HN 0.534 nan 8.150 nan 0.000 0.497 1259 V N 2.604 122.513 119.914 -0.009 0.000 3.426 1259 V HA 0.225 4.345 4.120 0.001 0.000 0.271 1259 V C 1.783 177.842 176.094 -0.058 0.000 1.530 1259 V CA 1.500 63.785 62.300 -0.025 0.000 1.021 1259 V CB -0.364 31.453 31.823 -0.009 0.000 0.824 1259 V HN 1.156 nan 8.190 nan 0.000 0.432 1260 G N 0.687 109.447 108.800 -0.066 0.000 2.631 1260 G HA2 -0.303 3.657 3.960 0.001 0.000 0.219 1260 G HA3 -0.303 3.657 3.960 0.001 0.000 0.219 1260 G C 1.199 176.040 174.900 -0.098 0.000 1.214 1260 G CA 1.724 46.787 45.100 -0.061 0.000 0.785 1260 G HN 0.614 nan 8.290 nan 0.000 0.596 1261 E N 0.524 120.573 120.200 -0.252 0.000 2.166 1261 E HA 0.028 4.378 4.350 0.001 0.000 0.192 1261 E C -0.059 176.184 176.600 -0.595 0.000 0.967 1261 E CA 0.150 56.299 56.400 -0.418 0.000 0.840 1261 E CB -0.123 29.192 29.700 -0.641 0.000 0.795 1261 E HN 0.299 nan 8.360 nan 0.000 0.470 1262 P HA -0.188 nan 4.420 nan 0.000 0.220 1262 P C -1.646 175.606 177.300 -0.079 0.000 1.155 1262 P CA 1.986 64.831 63.100 -0.425 0.000 0.880 1262 P CB -0.806 30.788 31.700 -0.176 0.000 0.790 1263 P HA -0.041 nan 4.420 nan 0.000 0.229 1263 P C 1.582 178.985 177.300 0.171 0.000 1.160 1263 P CA 0.581 63.751 63.100 0.116 0.000 0.777 1263 P CB -0.399 31.370 31.700 0.116 0.000 0.814 1264 L N -1.212 120.068 121.223 0.095 0.000 2.013 1264 L HA -0.207 4.133 4.340 0.001 0.000 0.212 1264 L C 2.202 179.180 176.870 0.179 0.000 1.073 1264 L CA 1.744 56.644 54.840 0.099 0.000 0.753 1264 L CB -0.760 41.320 42.059 0.035 0.000 0.890 1264 L HN -0.097 nan 8.230 nan 0.000 0.432 1265 F N 0.104 120.137 119.950 0.137 0.000 2.250 1265 F HA -0.212 4.315 4.527 0.001 0.000 0.301 1265 F C 1.951 177.907 175.800 0.260 0.000 1.077 1265 F CA 1.329 59.480 58.000 0.251 0.000 1.348 1265 F CB -0.319 38.812 39.000 0.218 0.000 1.040 1265 F HN 0.018 nan 8.300 nan 0.000 0.509 1266 L N -0.179 121.115 121.223 0.118 0.000 2.447 1266 L HA -0.178 4.162 4.340 0.001 0.000 0.225 1266 L C 2.594 179.527 176.870 0.104 0.000 1.148 1266 L CA 0.946 55.867 54.840 0.134 0.000 0.808 1266 L CB -1.478 40.798 42.059 0.361 0.000 0.928 1266 L HN 0.341 nan 8.230 nan 0.000 0.448 1267 G N -0.359 108.363 108.800 -0.129 0.000 2.471 1267 G HA2 -0.173 3.787 3.960 0.001 0.000 0.219 1267 G HA3 -0.173 3.787 3.960 0.001 0.000 0.219 1267 G C 1.709 176.488 174.900 -0.203 0.000 1.125 1267 G CA 0.645 45.444 45.100 -0.501 0.000 0.775 1267 G HN 0.476 nan 8.290 nan 0.000 0.548 1268 A N 1.336 123.909 122.820 -0.413 0.000 2.121 1268 A HA 0.035 4.355 4.320 0.001 0.000 0.218 1268 A C 2.646 180.146 177.584 -0.139 0.000 1.154 1268 A CA 1.989 53.584 52.037 -0.738 0.000 0.679 1268 A CB -0.515 17.690 19.000 -1.325 0.000 0.795 1268 A HN 0.662 nan 8.150 nan 0.000 0.458 1269 S N -0.393 115.294 115.700 -0.021 0.000 2.399 1269 S HA -0.127 4.344 4.470 0.001 0.000 0.231 1269 S C 1.651 176.343 174.600 0.153 0.000 1.022 1269 S CA 1.459 59.748 58.200 0.149 0.000 0.983 1269 S CB -0.773 62.541 63.200 0.190 0.000 0.803 1269 S HN 0.257 nan 8.310 nan 0.000 0.480 1270 V N 0.829 120.801 119.914 0.098 0.000 2.453 1270 V HA -0.007 4.113 4.120 0.001 0.000 0.247 1270 V C 2.032 178.122 176.094 -0.007 0.000 1.048 1270 V CA 1.700 64.042 62.300 0.070 0.000 1.049 1270 V CB -0.977 30.883 31.823 0.062 0.000 0.672 1270 V HN 0.558 nan 8.190 nan 0.000 0.457 1271 F N 0.620 120.443 119.950 -0.211 0.000 2.102 1271 F HA -0.196 4.331 4.527 0.001 0.000 0.298 1271 F C 1.991 177.562 175.800 -0.382 0.000 1.105 1271 F CA 1.877 59.661 58.000 -0.359 0.000 1.239 1271 F CB -0.300 38.339 39.000 -0.601 0.000 0.991 1271 F HN 0.146 nan 8.300 nan 0.000 0.474 1272 F N -0.007 120.034 119.950 0.151 0.000 2.407 1272 F HA 0.027 4.555 4.527 0.001 0.000 0.299 1272 F C 2.403 178.196 175.800 -0.013 0.000 1.097 1272 F CA 0.664 58.706 58.000 0.070 0.000 1.422 1272 F CB -0.831 38.228 39.000 0.098 0.000 1.067 1272 F HN 0.071 nan 8.300 nan 0.000 0.539 1273 A N 0.362 123.247 122.820 0.109 0.000 1.929 1273 A HA -0.077 4.243 4.320 0.001 0.000 0.216 1273 A C 2.174 179.747 177.584 -0.019 0.000 1.176 1273 A CA 1.135 53.211 52.037 0.063 0.000 0.628 1273 A CB -0.849 18.186 19.000 0.059 0.000 0.816 1273 A HN 0.362 nan 8.150 nan 0.000 0.444 1274 I N -0.507 119.984 120.570 -0.131 0.000 2.226 1274 I HA -0.259 3.912 4.170 0.001 0.000 0.245 1274 I C 2.532 178.549 176.117 -0.166 0.000 1.100 1274 I CA 1.807 62.977 61.300 -0.216 0.000 1.374 1274 I CB -0.187 37.562 38.000 -0.419 0.000 1.057 1274 I HN 0.339 nan 8.210 nan 0.000 0.413 1275 K N 0.640 120.914 120.400 -0.210 0.000 2.211 1275 K HA -0.252 4.068 4.320 0.001 0.000 0.203 1275 K C 1.711 178.388 176.600 0.129 0.000 1.050 1275 K CA 1.777 58.042 56.287 -0.036 0.000 0.945 1275 K CB -0.039 32.402 32.500 -0.098 0.000 0.732 1275 K HN 0.199 nan 8.250 nan 0.000 0.451 1276 D N 0.047 120.499 120.400 0.087 0.000 2.097 1276 D HA -0.096 4.545 4.640 0.001 0.000 0.197 1276 D C 1.675 178.029 176.300 0.089 0.000 0.984 1276 D CA 1.438 55.502 54.000 0.106 0.000 0.826 1276 D CB -0.018 40.836 40.800 0.091 0.000 0.973 1276 D HN 0.271 nan 8.370 nan 0.000 0.460 1277 A N 0.214 123.064 122.820 0.050 0.000 1.933 1277 A HA -0.102 4.218 4.320 0.001 0.000 0.218 1277 A C 2.450 180.060 177.584 0.043 0.000 1.175 1277 A CA 1.107 53.170 52.037 0.043 0.000 0.628 1277 A CB -0.799 18.213 19.000 0.021 0.000 0.814 1277 A HN 0.388 nan 8.150 nan 0.000 0.444 1278 I N -1.024 119.570 120.570 0.039 0.000 2.286 1278 I HA -0.246 3.925 4.170 0.001 0.000 0.248 1278 I C 2.691 178.792 176.117 -0.027 0.000 1.115 1278 I CA 1.627 62.920 61.300 -0.011 0.000 1.392 1278 I CB -0.298 37.694 38.000 -0.014 0.000 1.065 1278 I HN 0.397 nan 8.210 nan 0.000 0.418 1279 R N 1.315 121.894 120.500 0.133 0.000 2.096 1279 R HA -0.160 4.180 4.340 0.001 0.000 0.235 1279 R C 2.324 178.662 176.300 0.063 0.000 1.127 1279 R CA 1.490 57.690 56.100 0.166 0.000 0.968 1279 R CB -0.178 30.285 30.300 0.273 0.000 0.861 1279 R HN 0.339 nan 8.270 nan 0.000 0.440 1280 A N 0.544 123.396 122.820 0.053 0.000 1.930 1280 A HA -0.033 4.287 4.320 0.001 0.000 0.217 1280 A C 2.305 179.884 177.584 -0.007 0.000 1.175 1280 A CA 1.452 53.505 52.037 0.027 0.000 0.627 1280 A CB -0.612 18.414 19.000 0.043 0.000 0.815 1280 A HN 0.524 nan 8.150 nan 0.000 0.443 1281 A N -0.114 122.704 122.820 -0.003 0.000 1.898 1281 A HA -0.104 4.216 4.320 0.001 0.000 0.216 1281 A C 2.229 179.806 177.584 -0.012 0.000 1.181 1281 A CA 1.382 53.420 52.037 0.002 0.000 0.620 1281 A CB -0.391 18.622 19.000 0.022 0.000 0.819 1281 A HN 0.535 nan 8.150 nan 0.000 0.442 1282 R N -0.453 120.009 120.500 -0.063 0.000 2.092 1282 R HA -0.001 4.340 4.340 0.001 0.000 0.231 1282 R C 2.385 178.657 176.300 -0.046 0.000 1.119 1282 R CA 1.079 57.132 56.100 -0.077 0.000 0.970 1282 R CB -0.407 29.789 30.300 -0.173 0.000 0.864 1282 R HN 0.487 nan 8.270 nan 0.000 0.440 1283 A N 0.798 123.595 122.820 -0.038 0.000 1.969 1283 A HA -0.224 4.097 4.320 0.001 0.000 0.218 1283 A C 2.086 179.612 177.584 -0.095 0.000 1.169 1283 A CA 1.342 53.355 52.037 -0.039 0.000 0.635 1283 A CB -0.286 18.703 19.000 -0.017 0.000 0.810 1283 A HN 0.232 nan 8.150 nan 0.000 0.445 1284 Q N -0.691 119.021 119.800 -0.147 0.000 2.020 1284 Q HA -0.136 4.204 4.340 0.001 0.000 0.198 1284 Q C 1.341 177.051 176.000 -0.483 0.000 0.974 1284 Q CA 2.333 57.935 55.803 -0.336 0.000 0.829 1284 Q CB -0.242 28.255 28.738 -0.402 0.000 0.894 1284 Q HN 0.793 nan 8.270 nan 0.000 0.433 1285 H N -2.025 116.968 119.070 -0.128 0.000 3.046 1285 H HA 0.326 4.882 4.556 0.001 0.000 0.262 1285 H C 0.834 176.122 175.328 -0.066 0.000 1.044 1285 H CA 0.609 56.594 56.048 -0.104 0.000 1.209 1285 H CB 0.870 30.565 29.762 -0.112 0.000 1.507 1285 H HN 0.138 nan 8.280 nan 0.000 0.507 1286 T N 0.088 114.662 114.554 0.034 0.000 3.244 1286 T HA 0.082 4.433 4.350 0.001 0.000 0.186 1286 T C 0.755 175.453 174.700 -0.004 0.000 0.768 1286 T CA -0.077 62.027 62.100 0.007 0.000 2.211 1286 T CB -0.011 68.842 68.868 -0.025 0.000 2.114 1286 T HN 0.163 nan 8.240 nan 0.000 0.420 1287 N N 1.402 120.099 118.700 -0.006 0.000 2.604 1287 N HA 0.358 5.099 4.740 0.001 0.000 0.297 1287 N C 0.132 175.641 175.510 -0.001 0.000 1.266 1287 N CA -0.531 52.521 53.050 0.003 0.000 0.961 1287 N CB 0.479 38.978 38.487 0.020 0.000 1.166 1287 N HN 0.247 nan 8.380 nan 0.000 0.601 1288 N N -0.188 118.516 118.700 0.007 0.000 2.159 1288 N HA -0.016 4.724 4.740 0.001 0.000 0.217 1288 N C -0.494 175.027 175.510 0.019 0.000 1.223 1288 N CA -0.063 52.990 53.050 0.004 0.000 0.896 1288 N CB 0.157 38.643 38.487 -0.001 0.000 1.064 1288 N HN 0.462 nan 8.380 nan 0.000 0.518 1289 N N 1.461 120.179 118.700 0.031 0.000 2.400 1289 N HA 0.047 4.787 4.740 0.001 0.000 0.267 1289 N C 0.652 176.198 175.510 0.059 0.000 1.208 1289 N CA 0.400 53.477 53.050 0.045 0.000 0.951 1289 N CB 0.452 38.970 38.487 0.053 0.000 1.227 1289 N HN -0.098 nan 8.380 nan 0.000 0.488 1290 T N 2.552 117.138 114.554 0.053 0.000 3.051 1290 T HA -0.010 4.340 4.350 0.001 0.000 0.269 1290 T C 0.900 175.646 174.700 0.077 0.000 1.127 1290 T CA 0.950 63.087 62.100 0.062 0.000 1.107 1290 T CB 0.080 68.978 68.868 0.049 0.000 0.898 1290 T HN 0.426 nan 8.240 nan 0.000 0.517 1291 K N 1.150 121.597 120.400 0.079 0.000 2.373 1291 K HA 0.218 4.538 4.320 0.001 0.000 0.202 1291 K C 0.499 177.159 176.600 0.101 0.000 1.025 1291 K CA -0.107 56.233 56.287 0.087 0.000 1.115 1291 K CB 0.477 33.025 32.500 0.081 0.000 0.858 1291 K HN 0.465 nan 8.250 nan 0.000 0.525 1292 E N 1.597 121.866 120.200 0.115 0.000 2.414 1292 E HA 0.023 4.373 4.350 0.001 0.000 0.263 1292 E C -0.816 175.884 176.600 0.167 0.000 1.000 1292 E CA 0.145 56.630 56.400 0.142 0.000 0.914 1292 E CB 0.485 30.281 29.700 0.161 0.000 0.948 1292 E HN 0.091 nan 8.360 nan 0.000 0.444 1293 L N 7.038 128.346 121.223 0.142 0.000 2.337 1293 L HA 0.323 4.663 4.340 0.001 0.000 0.269 1293 L C -0.393 176.542 176.870 0.109 0.000 1.018 1293 L CA -0.926 53.959 54.840 0.075 0.000 0.876 1293 L CB 0.057 42.159 42.059 0.072 0.000 1.236 1293 L HN 0.421 nan 8.230 nan 0.000 0.436 1294 F N 0.678 120.683 119.950 0.092 0.000 2.399 1294 F HA 0.635 5.162 4.527 0.001 0.000 0.334 1294 F C 0.334 176.202 175.800 0.113 0.000 1.097 1294 F CA -1.106 56.947 58.000 0.088 0.000 1.076 1294 F CB 0.647 39.687 39.000 0.066 0.000 1.162 1294 F HN 0.330 nan 8.300 nan 0.000 0.495 1295 R N 3.108 123.741 120.500 0.221 0.000 2.490 1295 R HA 0.583 4.924 4.340 0.001 0.000 0.280 1295 R C -1.710 174.749 176.300 0.265 0.000 1.077 1295 R CA -0.679 55.527 56.100 0.178 0.000 1.065 1295 R CB 0.919 31.335 30.300 0.194 0.000 1.003 1295 R HN 0.902 nan 8.270 nan 0.000 0.470 1296 L N 4.652 126.017 121.223 0.237 0.000 2.518 1296 L HA 0.352 4.692 4.340 0.001 0.000 0.262 1296 L C -1.490 175.654 176.870 0.456 0.000 0.982 1296 L CA -0.452 54.577 54.840 0.314 0.000 0.873 1296 L CB 1.471 43.676 42.059 0.244 0.000 1.198 1296 L HN 0.687 nan 8.230 nan 0.000 0.427 1297 D N 1.426 122.068 120.400 0.404 0.000 2.377 1297 D HA 0.254 4.895 4.640 0.001 0.000 0.245 1297 D C -0.260 176.320 176.300 0.466 0.000 1.196 1297 D CA 0.023 54.296 54.000 0.454 0.000 0.962 1297 D CB 1.638 42.683 40.800 0.410 0.000 1.127 1297 D HN 0.440 nan 8.370 nan 0.000 0.471 1298 S N 0.220 116.081 115.700 0.270 0.000 2.525 1298 S HA 0.499 4.969 4.470 0.001 0.000 0.290 1298 S C -2.635 172.000 174.600 0.057 0.000 1.152 1298 S CA -1.456 56.758 58.200 0.023 0.000 1.072 1298 S CB 1.241 64.030 63.200 -0.684 0.000 1.027 1298 S HN 0.168 nan 8.310 nan 0.000 0.500 1299 P HA 0.280 nan 4.420 nan 0.000 0.282 1299 P C -1.285 176.109 177.300 0.157 0.000 1.249 1299 P CA -0.570 62.577 63.100 0.078 0.000 0.806 1299 P CB 0.999 32.685 31.700 -0.023 0.000 0.984 1300 A N 2.808 125.760 122.820 0.221 0.000 2.915 1300 A HA 0.361 4.682 4.320 0.001 0.000 0.292 1300 A C 1.012 178.551 177.584 -0.076 0.000 1.632 1300 A CA -0.135 51.910 52.037 0.015 0.000 1.337 1300 A CB -1.371 17.451 19.000 -0.296 0.000 1.111 1300 A HN 0.610 nan 8.150 nan 0.000 0.569 1301 T N -0.553 113.965 114.554 -0.060 0.000 2.788 1301 T HA 0.395 4.746 4.350 0.001 0.000 0.280 1301 T C -1.501 173.100 174.700 -0.165 0.000 0.984 1301 T CA -1.362 60.686 62.100 -0.088 0.000 0.972 1301 T CB 0.602 69.428 68.868 -0.070 0.000 1.039 1301 T HN 0.248 nan 8.240 nan 0.000 0.530 1302 P HA -0.120 nan 4.420 nan 0.000 0.218 1302 P C 1.351 178.235 177.300 -0.694 0.000 1.149 1302 P CA 1.157 64.123 63.100 -0.223 0.000 0.817 1302 P CB 0.097 31.788 31.700 -0.016 0.000 0.785 1303 E N 1.053 120.689 120.200 -0.940 0.000 2.051 1303 E HA -0.198 4.152 4.350 0.001 0.000 0.192 1303 E C 1.910 178.135 176.600 -0.625 0.000 0.991 1303 E CA 1.308 56.883 56.400 -1.375 0.000 0.799 1303 E CB -0.174 29.131 29.700 -0.659 0.000 0.748 1303 E HN 0.143 nan 8.360 nan 0.000 0.449 1304 K N 0.157 120.365 120.400 -0.320 0.000 2.097 1304 K HA -0.078 4.242 4.320 0.001 0.000 0.205 1304 K C 2.297 178.809 176.600 -0.146 0.000 1.050 1304 K CA 1.246 57.442 56.287 -0.151 0.000 0.938 1304 K CB -0.095 32.377 32.500 -0.046 0.000 0.718 1304 K HN 0.271 nan 8.250 nan 0.000 0.442 1305 I N 0.644 121.103 120.570 -0.185 0.000 2.179 1305 I HA -0.261 3.909 4.170 0.001 0.000 0.242 1305 I C 2.599 178.654 176.117 -0.104 0.000 1.088 1305 I CA 1.017 62.233 61.300 -0.140 0.000 1.357 1305 I CB -0.176 37.742 38.000 -0.137 0.000 1.051 1305 I HN 0.061 nan 8.210 nan 0.000 0.409 1306 R N 1.609 122.032 120.500 -0.128 0.000 2.075 1306 R HA -0.128 4.212 4.340 0.001 0.000 0.232 1306 R C 1.948 178.250 176.300 0.003 0.000 1.126 1306 R CA 1.661 57.757 56.100 -0.007 0.000 0.963 1306 R CB -0.501 29.888 30.300 0.148 0.000 0.858 1306 R HN 0.275 nan 8.270 nan 0.000 0.435 1307 N N 0.256 118.926 118.700 -0.049 0.000 2.223 1307 N HA -0.094 4.646 4.740 0.001 0.000 0.185 1307 N C 1.324 176.817 175.510 -0.030 0.000 1.016 1307 N CA 1.528 54.572 53.050 -0.010 0.000 0.863 1307 N CB -0.347 38.127 38.487 -0.022 0.000 0.983 1307 N HN 0.374 nan 8.380 nan 0.000 0.429 1308 A N -0.250 122.530 122.820 -0.066 0.000 2.066 1308 A HA -0.013 4.308 4.320 0.001 0.000 0.218 1308 A C 1.183 178.664 177.584 -0.171 0.000 1.157 1308 A CA 0.365 52.322 52.037 -0.134 0.000 0.670 1308 A CB -0.317 18.591 19.000 -0.154 0.000 0.804 1308 A HN 0.345 nan 8.150 nan 0.000 0.453 1309 C N 1.875 121.124 119.300 -0.084 0.000 3.025 1309 C HA 0.388 4.848 4.460 0.001 0.000 0.547 1309 C C 0.683 175.676 174.990 0.004 0.000 1.058 1309 C CA -1.085 57.909 59.018 -0.039 0.000 1.164 1309 C CB -2.314 25.444 27.740 0.029 0.000 1.405 1309 C HN 0.313 nan 8.230 nan 0.000 0.610 1310 V N 4.203 124.098 119.914 -0.032 0.000 2.617 1310 V HA 0.176 4.297 4.120 0.001 0.000 0.304 1310 V C 0.327 176.437 176.094 0.027 0.000 1.040 1310 V CA 1.017 63.315 62.300 -0.003 0.000 1.149 1310 V CB 0.259 32.068 31.823 -0.024 0.000 0.914 1310 V HN 0.878 nan 8.190 nan 0.000 0.487 1311 D N 2.731 123.147 120.400 0.027 0.000 2.921 1311 D HA 0.255 4.895 4.640 0.001 0.000 0.329 1311 D C 0.577 176.818 176.300 -0.098 0.000 1.293 1311 D CA -0.499 53.499 54.000 -0.003 0.000 0.964 1311 D CB 0.693 41.509 40.800 0.027 0.000 1.435 1311 D HN 0.337 nan 8.370 nan 0.000 0.548 1312 K N -0.476 119.759 120.400 -0.275 0.000 2.283 1312 K HA 0.014 4.335 4.320 0.001 0.000 0.202 1312 K C 1.353 177.675 176.600 -0.463 0.000 1.048 1312 K CA 1.113 57.151 56.287 -0.416 0.000 0.948 1312 K CB -0.516 31.630 32.500 -0.590 0.000 0.742 1312 K HN 0.290 nan 8.250 nan 0.000 0.458 1313 F N 2.465 122.344 119.950 -0.118 0.000 2.179 1313 F HA -0.086 4.442 4.527 0.001 0.000 0.292 1313 F C 2.890 178.644 175.800 -0.078 0.000 1.089 1313 F CA 1.243 59.169 58.000 -0.123 0.000 1.295 1313 F CB -0.739 38.161 39.000 -0.167 0.000 1.041 1313 F HN 0.124 nan 8.300 nan 0.000 0.487 1314 T N -3.024 111.598 114.554 0.114 0.000 2.833 1314 T HA -0.152 4.198 4.350 0.001 0.000 0.269 1314 T C 1.803 176.514 174.700 0.018 0.000 1.054 1314 T CA 1.823 63.960 62.100 0.061 0.000 1.135 1314 T CB -1.028 67.871 68.868 0.052 0.000 0.869 1314 T HN 0.163 nan 8.240 nan 0.000 0.466 1315 T N 2.316 116.862 114.554 -0.013 0.000 2.777 1315 T HA 0.128 4.479 4.350 0.001 0.000 0.266 1315 T C 1.859 176.539 174.700 -0.033 0.000 1.040 1315 T CA 0.591 62.673 62.100 -0.030 0.000 1.141 1315 T CB -0.320 68.515 68.868 -0.054 0.000 0.868 1315 T HN 0.130 nan 8.240 nan 0.000 0.444 1316 L N 0.792 121.990 121.223 -0.043 0.000 2.083 1316 L HA -0.071 4.270 4.340 0.001 0.000 0.209 1316 L C 2.612 179.469 176.870 -0.021 0.000 1.083 1316 L CA 1.471 56.289 54.840 -0.037 0.000 0.752 1316 L CB -1.203 40.833 42.059 -0.037 0.000 0.899 1316 L HN 0.428 nan 8.230 nan 0.000 0.433 1317 C N -2.209 117.086 119.300 -0.008 0.000 2.475 1317 C HA 0.108 4.569 4.460 0.001 0.000 0.279 1317 C C 2.063 177.045 174.990 -0.013 0.000 1.322 1317 C CA 0.080 59.089 59.018 -0.014 0.000 1.734 1317 C CB 0.077 27.810 27.740 -0.010 0.000 2.005 1317 C HN 0.443 nan 8.230 nan 0.000 0.495 1318 V N -0.123 119.787 119.914 -0.006 0.000 0.690 1318 V HA -0.395 3.725 4.120 0.001 0.000 0.092 1318 V C 1.207 177.302 176.094 0.001 0.000 0.784 1318 V CA 2.203 64.501 62.300 -0.004 0.000 3.100 1318 V CB -1.936 29.883 31.823 -0.008 0.000 0.191 1318 V HN 0.542 nan 8.190 nan 0.000 0.092 1319 T N -2.496 112.057 114.554 -0.001 0.000 3.993 1319 T HA 0.231 4.582 4.350 0.001 0.000 0.340 1319 T C 0.061 174.761 174.700 0.000 0.000 0.865 1319 T CA 1.280 63.381 62.100 0.001 0.000 1.246 1319 T CB -0.539 68.335 68.868 0.010 0.000 0.970 1319 T HN 2.508 nan 8.240 nan 0.000 0.524 1320 G N 0.534 109.335 108.800 0.002 0.000 2.737 1320 G HA2 0.681 4.642 3.960 0.001 0.000 0.290 1320 G HA3 0.681 4.642 3.960 0.001 0.000 0.290 1320 G C 0.329 175.231 174.900 0.003 0.000 1.482 1320 G CA 0.201 45.303 45.100 0.003 0.000 1.017 1320 G HN 1.485 nan 8.290 nan 0.000 0.529 1321 A N 2.665 125.487 122.820 0.002 0.000 2.667 1321 A HA -0.099 4.222 4.320 0.001 0.000 0.298 1321 A C -0.850 176.735 177.584 0.002 0.000 1.483 1321 A CA 0.650 52.690 52.037 0.004 0.000 0.738 1321 A CB -1.535 17.470 19.000 0.009 0.000 1.067 1321 A HN 0.671 nan 8.150 nan 0.000 0.451 1322 P HA 0.158 nan 4.420 nan 0.000 0.335 1322 P C 1.560 178.855 177.300 -0.007 0.000 1.379 1322 P CA 0.775 63.871 63.100 -0.007 0.000 0.794 1322 P CB -0.106 31.587 31.700 -0.012 0.000 1.849 1323 G N -1.300 107.493 108.800 -0.012 0.000 2.708 1323 G HA2 -0.215 3.745 3.960 0.001 0.000 0.210 1323 G HA3 -0.215 3.745 3.960 0.001 0.000 0.210 1323 G C 1.447 176.343 174.900 -0.007 0.000 1.141 1323 G CA 0.406 45.499 45.100 -0.012 0.000 0.788 1323 G HN 0.639 nan 8.290 nan 0.000 0.531 1324 N N -0.958 117.738 118.700 -0.006 0.000 2.092 1324 N HA -0.076 4.664 4.740 0.001 0.000 0.189 1324 N C -0.062 175.451 175.510 0.005 0.000 1.040 1324 N CA 0.709 53.757 53.050 -0.003 0.000 0.845 1324 N CB 0.082 38.565 38.487 -0.005 0.000 1.017 1324 N HN 0.154 nan 8.380 nan 0.000 0.426 1325 C N 1.714 121.019 119.300 0.007 0.000 2.291 1325 C HA 0.416 4.877 4.460 0.001 0.000 0.322 1325 C C -0.370 174.632 174.990 0.020 0.000 1.205 1325 C CA -1.035 57.993 59.018 0.017 0.000 1.495 1325 C CB 0.390 28.140 27.740 0.017 0.000 2.127 1325 C HN 0.285 nan 8.230 nan 0.000 0.452 1326 K N 4.944 125.360 120.400 0.026 0.000 2.185 1326 K HA 0.492 4.812 4.320 0.001 0.000 0.269 1326 K C -1.872 174.756 176.600 0.047 0.000 0.987 1326 K CA -0.774 55.528 56.287 0.024 0.000 0.865 1326 K CB 1.008 33.515 32.500 0.012 0.000 1.090 1326 K HN 0.520 nan 8.250 nan 0.000 0.450 1327 P HA -0.092 nan 4.420 nan 0.000 0.268 1327 P C 0.126 177.498 177.300 0.120 0.000 1.208 1327 P CA -0.262 62.891 63.100 0.088 0.000 0.777 1327 P CB 0.499 32.238 31.700 0.065 0.000 0.875 1328 W N 3.152 124.449 121.300 -0.005 0.000 2.355 1328 W HA -0.118 4.542 4.660 0.001 0.000 0.309 1328 W C 0.644 177.161 176.519 -0.004 0.000 1.206 1328 W CA 1.882 59.225 57.345 -0.004 0.000 1.284 1328 W CB -0.216 29.241 29.460 -0.004 0.000 1.145 1328 W HN 0.546 nan 8.180 nan 0.000 0.502 1329 S N -0.325 115.374 115.700 -0.003 0.000 2.632 1329 S HA 0.663 5.134 4.470 0.001 0.000 0.289 1329 S C -1.382 173.184 174.600 -0.056 0.000 1.115 1329 S CA -0.968 57.110 58.200 -0.203 0.000 0.889 1329 S CB 2.273 65.352 63.200 -0.202 0.000 1.116 1329 S HN 0.236 nan 8.310 nan 0.000 0.486 1330 L N 1.008 122.180 121.223 -0.085 0.000 2.505 1330 L HA 0.561 4.902 4.340 0.001 0.000 0.266 1330 L C -0.422 176.423 176.870 -0.040 0.000 0.954 1330 L CA -0.383 54.432 54.840 -0.041 0.000 0.852 1330 L CB 1.997 44.031 42.059 -0.043 0.000 1.282 1330 L HN 0.894 nan 8.230 nan 0.000 0.403 1331 R N 2.316 122.805 120.500 -0.017 0.000 2.638 1331 R HA 0.279 4.620 4.340 0.001 0.000 0.268 1331 R C -0.368 175.918 176.300 -0.023 0.000 1.006 1331 R CA 0.032 56.123 56.100 -0.016 0.000 1.088 1331 R CB 0.536 30.833 30.300 -0.004 0.000 0.950 1331 R HN 0.542 nan 8.270 nan 0.000 0.419 1332 V N 0.000 119.899 119.914 -0.025 0.000 2.409 1332 V HA 0.000 4.120 4.120 0.001 0.000 0.244 1332 V CA 0.000 62.285 62.300 -0.026 0.000 1.235 1332 V CB 0.000 31.805 31.823 -0.031 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556