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 3o4h_1_D DATA FIRST_RESID 7 DATA SEQUENCE VEFSRIVRDV ERLIAVEKYS LQGVVDGDKL LVVGFSEGSV NAYLYDGGET DATA SEQUENCE VKLNREPINS VLDPHYGVGR VILVRDVSKG AEQHALFKVN TSRPGEEQRL DATA SEQUENCE EAVKPMRILS GVDTGEAVVF TGATEDRVAL YALDGGGLRE LARLPGFGFV DATA SEQUENCE SDIRGDLIAG LGFFGGGRVS LFTSNLSSGG LRVFDSGEGS FSSASISPGM DATA SEQUENCE KVTAGLETAR EARLVTVDPR DGSVEDLELP SKDFSSYRPT AITWLGYLPD DATA SEQUENCE GRLAVVARRE GRSAVFIDGE RVEAPQGNHG RVVLWRGKLV TSHTSLSTPP DATA SEQUENCE RIVSLPSGEP LLEGGLPEDL RRSIAGSRLV WVESFDGSRV PTYVLESGRA DATA SEQUENCE PTPGPTVVLV HGGPFAEDSD SWDTFAASLA AAGFHVVMPN YRGSTGYGEE DATA SEQUENCE WRLKIIGDPC GGELEDVSAA ARWARESGLA SELYIMGYSY GGYMTLCALT DATA SEQUENCE MKPGLFKAGV AGASVVDWEE MYELSDAAFR NFIEQLTGGS REIMRSRSPI DATA SEQUENCE NHVDRIKEPL ALIHPQNASR TPLKPLLRLM GELLARGKTF EAHIIPDAGH DATA SEQUENCE AINTMEDAVK ILLPAVFFLA TQRER 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 175.757 176.094 -0.561 0.000 1.182 7 V CA 0.000 62.020 62.300 -0.467 0.000 1.235 7 V CB 0.000 31.500 31.823 -0.539 0.000 1.184 8 E N 1.190 121.130 120.200 -0.435 0.000 2.026 8 E HA 0.370 4.719 4.350 -0.001 0.000 0.253 8 E C -0.223 176.230 176.600 -0.244 0.000 1.056 8 E CA -0.151 56.091 56.400 -0.264 0.000 0.927 8 E CB 0.544 30.164 29.700 -0.133 0.000 1.172 8 E HN 0.571 nan 8.360 nan 0.000 0.445 9 F N 0.701 120.543 119.950 -0.181 0.000 2.102 9 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 9 F C 2.713 178.492 175.800 -0.035 0.000 1.105 9 F CA 1.478 59.292 58.000 -0.310 0.000 1.239 9 F CB -0.429 38.246 39.000 -0.540 0.000 0.991 9 F HN 0.359 nan 8.300 nan 0.000 0.474 10 S N 0.171 115.974 115.700 0.172 0.000 2.402 10 S HA -0.216 4.253 4.470 -0.001 0.000 0.229 10 S C 2.093 176.764 174.600 0.119 0.000 1.021 10 S CA 1.018 59.306 58.200 0.146 0.000 0.974 10 S CB -0.671 62.587 63.200 0.095 0.000 0.800 10 S HN 0.380 nan 8.310 nan 0.000 0.484 11 R N 1.102 121.650 120.500 0.081 0.000 2.081 11 R HA 0.077 4.417 4.340 -0.001 0.000 0.235 11 R C 2.221 178.576 176.300 0.092 0.000 1.131 11 R CA 1.635 57.772 56.100 0.062 0.000 0.960 11 R CB -0.552 29.762 30.300 0.023 0.000 0.856 11 R HN 0.512 nan 8.270 nan 0.000 0.436 12 I N 0.072 120.723 120.570 0.135 0.000 2.208 12 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 12 I C 2.130 178.360 176.117 0.190 0.000 1.097 12 I CA 1.160 62.577 61.300 0.193 0.000 1.363 12 I CB -0.166 38.040 38.000 0.343 0.000 1.051 12 I HN 0.058 nan 8.210 nan 0.000 0.413 13 V N 0.595 120.653 119.914 0.241 0.000 2.358 13 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 13 V C 2.527 178.676 176.094 0.091 0.000 1.047 13 V CA 1.754 64.153 62.300 0.164 0.000 1.035 13 V CB -0.766 31.180 31.823 0.205 0.000 0.658 13 V HN 0.357 nan 8.190 nan 0.000 0.452 14 R N -0.111 120.442 120.500 0.089 0.000 2.096 14 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 14 R C 2.067 178.398 176.300 0.052 0.000 1.127 14 R CA 1.711 57.847 56.100 0.060 0.000 0.968 14 R CB -0.390 29.942 30.300 0.054 0.000 0.861 14 R HN 0.504 nan 8.270 nan 0.000 0.440 15 D N -0.062 120.375 120.400 0.060 0.000 2.123 15 D HA -0.085 4.555 4.640 -0.001 0.000 0.200 15 D C 1.945 178.273 176.300 0.047 0.000 0.976 15 D CA 0.827 54.861 54.000 0.057 0.000 0.831 15 D CB -0.064 40.773 40.800 0.063 0.000 0.974 15 D HN -0.040 nan 8.370 nan 0.000 0.469 16 V N 1.145 121.079 119.914 0.033 0.000 2.407 16 V HA -0.216 3.903 4.120 -0.001 0.000 0.248 16 V C 2.243 178.334 176.094 -0.005 0.000 1.055 16 V CA 1.554 63.849 62.300 -0.007 0.000 1.049 16 V CB -0.383 31.411 31.823 -0.049 0.000 0.662 16 V HN 0.202 nan 8.190 nan 0.000 0.455 17 E N -0.128 120.077 120.200 0.008 0.000 2.058 17 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 17 E C 2.476 179.086 176.600 0.017 0.000 0.997 17 E CA 1.456 57.861 56.400 0.008 0.000 0.801 17 E CB -0.179 29.531 29.700 0.016 0.000 0.746 17 E HN 0.542 nan 8.360 nan 0.000 0.450 18 R N 0.316 120.834 120.500 0.030 0.000 2.081 18 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 18 R C 2.461 178.794 176.300 0.055 0.000 1.131 18 R CA 0.941 57.063 56.100 0.036 0.000 0.960 18 R CB -0.258 30.068 30.300 0.042 0.000 0.856 18 R HN 0.163 nan 8.270 nan 0.000 0.436 19 L N -0.003 121.270 121.223 0.084 0.000 2.093 19 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 19 L C 1.996 178.947 176.870 0.135 0.000 1.085 19 L CA 0.717 55.656 54.840 0.166 0.000 0.755 19 L CB -0.286 41.875 42.059 0.169 0.000 0.904 19 L HN 0.131 nan 8.230 nan 0.000 0.435 20 I N 0.292 120.892 120.570 0.049 0.000 2.353 20 I HA -0.162 4.007 4.170 -0.001 0.000 0.248 20 I C 2.609 178.738 176.117 0.019 0.000 1.119 20 I CA 1.282 62.593 61.300 0.018 0.000 1.417 20 I CB -1.043 36.941 38.000 -0.026 0.000 1.078 20 I HN 0.094 nan 8.210 nan 0.000 0.421 21 A N -0.225 122.602 122.820 0.013 0.000 2.119 21 A HA 0.024 4.343 4.320 -0.001 0.000 0.216 21 A C 1.406 178.978 177.584 -0.019 0.000 1.152 21 A CA 0.122 52.158 52.037 -0.001 0.000 0.708 21 A CB -0.587 18.413 19.000 -0.000 0.000 0.805 21 A HN 0.122 nan 8.150 nan 0.000 0.460 22 V N 1.367 121.267 119.914 -0.022 0.000 2.617 22 V HA 0.020 4.140 4.120 -0.001 0.000 0.304 22 V C 0.401 176.421 176.094 -0.122 0.000 1.040 22 V CA -0.082 62.173 62.300 -0.074 0.000 1.149 22 V CB 0.413 32.166 31.823 -0.118 0.000 0.914 22 V HN 0.620 nan 8.190 nan 0.000 0.487 23 E N 5.788 125.896 120.200 -0.153 0.000 2.344 23 E HA 0.265 4.615 4.350 -0.001 0.000 0.270 23 E C -0.494 175.835 176.600 -0.453 0.000 1.021 23 E CA -0.233 55.988 56.400 -0.299 0.000 0.887 23 E CB 0.547 30.033 29.700 -0.357 0.000 0.997 23 E HN 0.689 nan 8.360 nan 0.000 0.429 24 K N 3.494 123.631 120.400 -0.439 0.000 2.221 24 K HA 0.335 4.654 4.320 -0.001 0.000 0.258 24 K C -1.355 175.045 176.600 -0.332 0.000 0.944 24 K CA -0.612 55.475 56.287 -0.333 0.000 0.823 24 K CB 1.345 33.737 32.500 -0.179 0.000 1.113 24 K HN 0.388 nan 8.250 nan 0.000 0.431 25 Y N 0.178 120.496 120.300 0.031 0.000 2.468 25 Y HA 0.367 4.917 4.550 -0.001 0.000 0.342 25 Y C 0.300 176.239 175.900 0.064 0.000 1.021 25 Y CA -0.743 57.391 58.100 0.056 0.000 1.079 25 Y CB 2.301 40.716 38.460 -0.075 0.000 1.226 25 Y HN 0.618 nan 8.280 nan 0.000 0.460 26 S N 2.120 117.984 115.700 0.273 0.000 2.542 26 S HA 0.681 5.150 4.470 -0.001 0.000 0.293 26 S C -1.637 172.997 174.600 0.058 0.000 1.089 26 S CA -0.856 57.430 58.200 0.142 0.000 0.961 26 S CB 1.827 65.142 63.200 0.192 0.000 1.062 26 S HN 0.569 nan 8.310 nan 0.000 0.483 27 L N 2.288 123.486 121.223 -0.041 0.000 2.275 27 L HA 0.531 4.870 4.340 -0.001 0.000 0.288 27 L C 0.698 177.492 176.870 -0.127 0.000 1.046 27 L CA 0.193 54.965 54.840 -0.114 0.000 0.805 27 L CB 0.998 42.953 42.059 -0.173 0.000 1.193 27 L HN 0.828 nan 8.230 nan 0.000 0.426 28 Q N 3.823 123.556 119.800 -0.113 0.000 2.391 28 Q HA 0.493 4.832 4.340 -0.001 0.000 0.243 28 Q C 0.547 176.467 176.000 -0.134 0.000 0.874 28 Q CA 0.651 56.395 55.803 -0.098 0.000 0.950 28 Q CB 1.325 30.033 28.738 -0.050 0.000 1.103 28 Q HN 0.902 nan 8.270 nan 0.000 0.544 29 G N -0.420 108.274 108.800 -0.177 0.000 2.333 29 G HA2 0.298 4.258 3.960 -0.001 0.000 0.288 29 G HA3 0.298 4.258 3.960 -0.001 0.000 0.288 29 G C -1.816 172.923 174.900 -0.269 0.000 1.286 29 G CA -0.598 44.346 45.100 -0.260 0.000 0.865 29 G HN -0.103 nan 8.290 nan 0.000 0.506 30 V N 0.630 120.326 119.914 -0.364 0.000 2.540 30 V HA 0.777 4.896 4.120 -0.001 0.000 0.302 30 V C 0.392 176.429 176.094 -0.095 0.000 1.035 30 V CA -0.178 62.011 62.300 -0.186 0.000 0.873 30 V CB 1.031 32.817 31.823 -0.061 0.000 0.992 30 V HN 1.564 nan 8.190 nan 0.000 0.428 31 V N 0.667 120.578 119.914 -0.006 0.000 3.158 31 V HA 0.693 4.812 4.120 -0.001 0.000 0.311 31 V C 0.497 176.632 176.094 0.070 0.000 1.181 31 V CA -0.309 62.011 62.300 0.032 0.000 1.054 31 V CB 1.820 33.649 31.823 0.011 0.000 1.085 31 V HN 0.933 nan 8.190 nan 0.000 0.446 32 D N -0.234 120.207 120.400 0.069 0.000 2.983 32 D HA -0.203 4.437 4.640 -0.001 0.000 0.225 32 D C 0.911 177.260 176.300 0.082 0.000 1.174 32 D CA 2.243 56.283 54.000 0.067 0.000 0.831 32 D CB -1.089 39.743 40.800 0.053 0.000 1.104 32 D HN 2.214 nan 8.370 nan 0.000 0.421 33 G N 0.262 109.124 108.800 0.104 0.000 2.698 33 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.200 33 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.200 33 G C -0.070 174.921 174.900 0.152 0.000 2.083 33 G CA 0.412 45.576 45.100 0.106 0.000 1.629 33 G HN 0.460 nan 8.290 nan 0.000 0.565 34 D N 0.996 121.513 120.400 0.194 0.000 4.082 34 D HA 0.260 4.899 4.640 -0.001 0.000 0.255 34 D C -0.510 176.094 176.300 0.505 0.000 1.427 34 D CA -0.085 54.105 54.000 0.317 0.000 0.804 34 D CB -0.054 40.844 40.800 0.162 0.000 1.364 34 D HN 0.499 nan 8.370 nan 0.000 0.809 35 K N 0.515 121.097 120.400 0.304 0.000 2.259 35 K HA 0.560 4.879 4.320 -0.001 0.000 0.252 35 K C -0.005 176.568 176.600 -0.045 0.000 0.936 35 K CA -0.765 55.625 56.287 0.173 0.000 0.810 35 K CB 2.524 35.076 32.500 0.086 0.000 1.143 35 K HN 0.001 nan 8.250 nan 0.000 0.427 36 L N 3.073 124.121 121.223 -0.291 0.000 2.349 36 L HA 0.252 4.592 4.340 -0.001 0.000 0.275 36 L C -0.315 176.469 176.870 -0.144 0.000 1.115 36 L CA -0.780 53.853 54.840 -0.344 0.000 0.820 36 L CB 0.355 42.097 42.059 -0.528 0.000 1.135 36 L HN 0.339 nan 8.230 nan 0.000 0.445 37 L N 5.389 126.536 121.223 -0.127 0.000 2.264 37 L HA 0.550 4.890 4.340 -0.001 0.000 0.289 37 L C -0.325 176.508 176.870 -0.062 0.000 1.044 37 L CA -0.201 54.600 54.840 -0.065 0.000 0.807 37 L CB 1.403 43.425 42.059 -0.061 0.000 1.192 37 L HN 0.369 nan 8.230 nan 0.000 0.425 38 V N 3.468 123.385 119.914 0.005 0.000 2.876 38 V HA 0.769 4.888 4.120 -0.001 0.000 0.312 38 V C -0.846 175.330 176.094 0.137 0.000 1.085 38 V CA -0.747 61.577 62.300 0.040 0.000 0.945 38 V CB 1.872 33.690 31.823 -0.007 0.000 1.017 38 V HN 0.415 nan 8.190 nan 0.000 0.428 39 V N 2.853 122.836 119.914 0.114 0.000 2.459 39 V HA 0.868 4.988 4.120 -0.001 0.000 0.295 39 V C 0.806 176.923 176.094 0.039 0.000 1.029 39 V CA 0.378 62.680 62.300 0.004 0.000 0.874 39 V CB 1.607 33.342 31.823 -0.146 0.000 0.985 39 V HN 1.319 nan 8.190 nan 0.000 0.438 40 G N 3.225 112.012 108.800 -0.021 0.000 2.461 40 G HA2 0.710 4.669 3.960 -0.001 0.000 0.323 40 G HA3 0.710 4.669 3.960 -0.001 0.000 0.323 40 G C -1.386 173.298 174.900 -0.360 0.000 1.229 40 G CA -0.364 44.652 45.100 -0.141 0.000 0.941 40 G HN 0.435 nan 8.290 nan 0.000 0.477 41 F N 1.299 121.125 119.950 -0.206 0.000 2.427 41 F HA 0.578 5.104 4.527 -0.001 0.000 0.348 41 F C 0.510 176.218 175.800 -0.154 0.000 1.125 41 F CA -0.761 57.160 58.000 -0.132 0.000 0.989 41 F CB 2.698 41.632 39.000 -0.110 0.000 1.165 41 F HN 0.401 nan 8.300 nan 0.000 0.442 42 S N 3.137 118.857 115.700 0.034 0.000 2.756 42 S HA 0.296 4.765 4.470 -0.001 0.000 0.303 42 S C -0.378 174.233 174.600 0.019 0.000 1.135 42 S CA -0.412 57.789 58.200 0.002 0.000 1.066 42 S CB 0.428 63.610 63.200 -0.030 0.000 1.008 42 S HN 0.766 nan 8.310 nan 0.000 0.482 43 E N 2.851 123.065 120.200 0.023 0.000 2.252 43 E HA -0.214 4.135 4.350 -0.001 0.000 0.218 43 E C 0.618 177.233 176.600 0.024 0.000 1.253 43 E CA 0.769 57.178 56.400 0.016 0.000 0.705 43 E CB -1.515 28.187 29.700 0.003 0.000 1.172 43 E HN 1.508 nan 8.360 nan 0.000 0.369 44 G N -0.120 108.711 108.800 0.050 0.000 2.198 44 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.257 44 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.257 44 G C -0.115 174.812 174.900 0.045 0.000 1.042 44 G CA 0.595 45.729 45.100 0.057 0.000 0.791 44 G HN 0.503 nan 8.290 nan 0.000 0.502 45 S N -1.123 114.600 115.700 0.039 0.000 2.677 45 S HA 0.627 5.096 4.470 -0.001 0.000 0.283 45 S C -0.239 174.319 174.600 -0.070 0.000 1.159 45 S CA -0.319 57.873 58.200 -0.014 0.000 1.001 45 S CB 1.734 64.922 63.200 -0.021 0.000 1.032 45 S HN 0.905 nan 8.310 nan 0.000 0.487 46 V N 6.124 125.952 119.914 -0.144 0.000 2.435 46 V HA 0.612 4.731 4.120 -0.001 0.000 0.290 46 V C -0.149 175.767 176.094 -0.295 0.000 1.030 46 V CA -0.847 61.249 62.300 -0.339 0.000 0.881 46 V CB 1.646 33.237 31.823 -0.388 0.000 0.983 46 V HN 0.815 nan 8.190 nan 0.000 0.445 47 N N 2.095 120.591 118.700 -0.340 0.000 2.312 47 N HA 0.791 5.530 4.740 -0.001 0.000 0.296 47 N C -0.732 174.478 175.510 -0.500 0.000 1.193 47 N CA -0.439 52.360 53.050 -0.418 0.000 0.773 47 N CB 2.671 40.875 38.487 -0.471 0.000 1.435 47 N HN 0.760 nan 8.380 nan 0.000 0.484 48 A N 1.143 123.632 122.820 -0.551 0.000 2.330 48 A HA 0.750 5.069 4.320 -0.001 0.000 0.327 48 A C -1.619 175.669 177.584 -0.492 0.000 1.155 48 A CA -0.398 51.414 52.037 -0.373 0.000 0.803 48 A CB 0.531 19.402 19.000 -0.214 0.000 1.208 48 A HN 0.620 nan 8.150 nan 0.000 0.477 49 Y N 0.590 120.866 120.300 -0.039 0.000 2.545 49 Y HA 0.538 5.088 4.550 -0.001 0.000 0.348 49 Y C -0.186 175.701 175.900 -0.022 0.000 1.002 49 Y CA -0.769 57.320 58.100 -0.017 0.000 1.039 49 Y CB 1.909 40.378 38.460 0.015 0.000 1.271 49 Y HN 0.535 nan 8.280 nan 0.000 0.467 50 L N 2.910 124.223 121.223 0.150 0.000 2.292 50 L HA 0.334 4.674 4.340 -0.001 0.000 0.284 50 L C -1.133 175.796 176.870 0.098 0.000 1.065 50 L CA -0.683 54.204 54.840 0.079 0.000 0.806 50 L CB 0.813 42.898 42.059 0.042 0.000 1.175 50 L HN 0.626 nan 8.230 nan 0.000 0.431 51 Y N 3.211 123.450 120.300 -0.101 0.000 2.341 51 Y HA 0.395 4.944 4.550 -0.001 0.000 0.338 51 Y C -0.888 174.937 175.900 -0.124 0.000 0.965 51 Y CA -0.677 57.331 58.100 -0.154 0.000 1.108 51 Y CB 1.531 39.823 38.460 -0.281 0.000 1.180 51 Y HN 0.483 nan 8.280 nan 0.000 0.458 52 D N 4.799 124.764 120.400 -0.725 0.000 2.586 52 D HA 0.320 4.960 4.640 -0.001 0.000 0.254 52 D C -0.272 175.748 176.300 -0.466 0.000 1.248 52 D CA 0.549 54.333 54.000 -0.359 0.000 0.843 52 D CB 0.198 40.966 40.800 -0.053 0.000 1.332 52 D HN 1.044 nan 8.370 nan 0.000 0.523 53 G N 1.501 109.874 108.800 -0.712 0.000 2.587 53 G HA2 0.258 4.217 3.960 -0.001 0.000 0.274 53 G HA3 0.258 4.217 3.960 -0.001 0.000 0.274 53 G C 1.022 175.796 174.900 -0.211 0.000 1.046 53 G CA 0.580 45.559 45.100 -0.202 0.000 1.308 53 G HN 1.403 nan 8.290 nan 0.000 0.529 54 G N -0.373 108.344 108.800 -0.139 0.000 3.757 54 G HA2 0.328 4.287 3.960 -0.001 0.000 0.215 54 G HA3 0.328 4.287 3.960 -0.001 0.000 0.215 54 G C 0.743 175.629 174.900 -0.023 0.000 1.411 54 G CA 1.451 46.549 45.100 -0.003 0.000 0.896 54 G HN 2.394 nan 8.290 nan 0.000 0.581 55 E N 1.321 121.438 120.200 -0.139 0.000 2.266 55 E HA 0.672 5.021 4.350 -0.001 0.000 0.277 55 E C 0.435 176.984 176.600 -0.085 0.000 1.018 55 E CA 0.485 56.837 56.400 -0.080 0.000 0.840 55 E CB 0.733 30.393 29.700 -0.066 0.000 1.082 55 E HN 1.668 nan 8.360 nan 0.000 0.395 56 T N -1.773 112.781 114.554 0.000 0.000 2.895 56 T HA 0.658 5.007 4.350 -0.001 0.000 0.283 56 T C -0.349 174.404 174.700 0.088 0.000 1.014 56 T CA -0.665 61.462 62.100 0.044 0.000 1.037 56 T CB 1.341 70.176 68.868 -0.055 0.000 1.006 56 T HN 0.455 nan 8.240 nan 0.000 0.468 57 V N 2.558 122.557 119.914 0.142 0.000 2.531 57 V HA 0.473 4.592 4.120 -0.001 0.000 0.301 57 V C 0.129 176.334 176.094 0.184 0.000 1.034 57 V CA -1.092 61.288 62.300 0.133 0.000 0.865 57 V CB 1.862 33.719 31.823 0.058 0.000 0.995 57 V HN 1.004 nan 8.190 nan 0.000 0.424 58 K N 3.361 123.843 120.400 0.136 0.000 2.339 58 K HA 0.387 4.707 4.320 -0.001 0.000 0.286 58 K C 0.533 177.070 176.600 -0.105 0.000 1.050 58 K CA -0.284 55.955 56.287 -0.079 0.000 0.956 58 K CB 0.848 33.284 32.500 -0.106 0.000 0.990 58 K HN 0.625 nan 8.250 nan 0.000 0.475 59 L N 2.980 124.106 121.223 -0.162 0.000 2.127 59 L HA -0.067 4.273 4.340 -0.001 0.000 0.203 59 L C 1.138 177.930 176.870 -0.129 0.000 1.080 59 L CA 0.280 55.052 54.840 -0.113 0.000 0.768 59 L CB -0.337 41.662 42.059 -0.100 0.000 0.924 59 L HN 0.731 nan 8.230 nan 0.000 0.444 60 N N -0.224 118.362 118.700 -0.189 0.000 2.463 60 N HA 0.121 4.861 4.740 -0.001 0.000 0.270 60 N C 0.370 175.774 175.510 -0.178 0.000 1.205 60 N CA -0.415 52.520 53.050 -0.191 0.000 0.974 60 N CB 1.528 39.878 38.487 -0.229 0.000 1.197 60 N HN 0.026 nan 8.380 nan 0.000 0.504 61 R N -0.357 120.034 120.500 -0.181 0.000 1.981 61 R HA 0.132 4.472 4.340 -0.001 0.000 0.207 61 R C 0.049 176.255 176.300 -0.157 0.000 1.375 61 R CA 0.154 56.164 56.100 -0.151 0.000 1.068 61 R CB -0.254 29.960 30.300 -0.143 0.000 0.890 61 R HN 0.643 nan 8.270 nan 0.000 0.481 62 E N 1.613 121.706 120.200 -0.179 0.000 2.374 62 E HA 0.195 4.544 4.350 -0.001 0.000 0.260 62 E C -2.238 174.260 176.600 -0.170 0.000 1.101 62 E CA -2.040 54.266 56.400 -0.157 0.000 0.907 62 E CB 0.107 29.715 29.700 -0.154 0.000 1.014 62 E HN 0.072 nan 8.360 nan 0.000 0.427 63 P HA -0.006 nan 4.420 nan 0.000 0.269 63 P C -0.179 177.037 177.300 -0.139 0.000 1.211 63 P CA 0.481 63.499 63.100 -0.136 0.000 0.781 63 P CB 0.326 31.969 31.700 -0.094 0.000 0.877 64 I N -1.498 118.985 120.570 -0.145 0.000 3.237 64 I HA 0.490 4.659 4.170 -0.001 0.000 0.308 64 I C 0.941 177.013 176.117 -0.074 0.000 1.093 64 I CA -0.866 60.365 61.300 -0.116 0.000 1.001 64 I CB 1.772 39.687 38.000 -0.141 0.000 1.245 64 I HN 0.145 nan 8.210 nan 0.000 0.485 65 N N 0.571 119.250 118.700 -0.034 0.000 2.278 65 N HA 0.016 4.755 4.740 -0.001 0.000 0.181 65 N C 0.166 175.654 175.510 -0.037 0.000 1.023 65 N CA 1.335 54.379 53.050 -0.009 0.000 0.862 65 N CB 0.443 38.938 38.487 0.014 0.000 1.003 65 N HN 0.902 nan 8.380 nan 0.000 0.431 66 S N -1.190 114.470 115.700 -0.067 0.000 2.669 66 S HA 0.473 4.942 4.470 -0.001 0.000 0.266 66 S C -0.941 173.622 174.600 -0.061 0.000 1.149 66 S CA -0.600 57.567 58.200 -0.055 0.000 0.842 66 S CB 1.312 64.502 63.200 -0.016 0.000 1.160 66 S HN 0.169 nan 8.310 nan 0.000 0.487 67 V N -0.911 118.980 119.914 -0.037 0.000 2.823 67 V HA 0.739 4.858 4.120 -0.001 0.000 0.312 67 V C -0.449 175.648 176.094 0.006 0.000 1.072 67 V CA -1.192 61.093 62.300 -0.026 0.000 0.937 67 V CB 1.146 32.948 31.823 -0.035 0.000 1.013 67 V HN 0.989 nan 8.190 nan 0.000 0.430 68 L N 1.625 122.857 121.223 0.015 0.000 2.452 68 L HA 0.389 4.728 4.340 -0.001 0.000 0.267 68 L C -0.025 176.884 176.870 0.065 0.000 1.188 68 L CA -0.326 54.545 54.840 0.053 0.000 0.821 68 L CB 0.313 42.408 42.059 0.059 0.000 1.102 68 L HN 0.663 nan 8.230 nan 0.000 0.470 69 D N 2.965 123.424 120.400 0.098 0.000 2.358 69 D HA 0.166 4.805 4.640 -0.001 0.000 0.258 69 D C -2.172 174.197 176.300 0.116 0.000 1.223 69 D CA -0.963 53.095 54.000 0.097 0.000 0.886 69 D CB 0.576 41.456 40.800 0.132 0.000 1.120 69 D HN 0.220 nan 8.370 nan 0.000 0.482 70 P HA 0.184 nan 4.420 nan 0.000 0.288 70 P C -0.372 177.015 177.300 0.146 0.000 1.267 70 P CA -0.475 62.689 63.100 0.108 0.000 0.815 70 P CB 0.843 32.569 31.700 0.044 0.000 0.989 71 H N 0.978 120.092 119.070 0.073 0.000 2.771 71 H HA 0.080 4.636 4.556 -0.001 0.000 0.364 71 H C -0.014 175.380 175.328 0.109 0.000 1.133 71 H CA 0.904 57.025 56.048 0.122 0.000 1.423 71 H CB -0.311 29.532 29.762 0.135 0.000 1.425 71 H HN 0.329 nan 8.280 nan 0.000 0.606 72 Y N 0.900 121.292 120.300 0.153 0.000 2.881 72 Y HA -0.017 4.533 4.550 -0.001 0.000 0.335 72 Y C 1.767 177.746 175.900 0.132 0.000 1.263 72 Y CA 1.684 59.860 58.100 0.127 0.000 1.572 72 Y CB -0.015 38.510 38.460 0.109 0.000 1.237 72 Y HN 0.949 nan 8.280 nan 0.000 0.568 73 G N 1.573 110.496 108.800 0.206 0.000 2.184 73 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.264 73 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.264 73 G C 0.014 174.988 174.900 0.125 0.000 0.975 73 G CA 0.029 45.231 45.100 0.171 0.000 0.642 73 G HN 1.090 nan 8.290 nan 0.000 0.536 74 V N -1.175 118.810 119.914 0.119 0.000 2.740 74 V HA 0.648 4.767 4.120 -0.001 0.000 0.303 74 V C 1.411 177.544 176.094 0.065 0.000 1.054 74 V CA 0.611 62.965 62.300 0.090 0.000 1.106 74 V CB 1.442 33.319 31.823 0.090 0.000 0.957 74 V HN 1.142 nan 8.190 nan 0.000 0.486 75 G N 4.710 113.541 108.800 0.053 0.000 3.440 75 G HA2 0.416 4.375 3.960 -0.001 0.000 0.263 75 G HA3 0.416 4.375 3.960 -0.001 0.000 0.263 75 G C 0.439 175.358 174.900 0.032 0.000 1.236 75 G CA -0.131 44.994 45.100 0.042 0.000 0.927 75 G HN 1.124 nan 8.290 nan 0.000 0.530 76 R N -2.337 118.182 120.500 0.032 0.000 2.733 76 R HA 0.672 5.012 4.340 -0.001 0.000 0.272 76 R C -2.247 174.066 176.300 0.022 0.000 1.029 76 R CA -0.758 55.357 56.100 0.024 0.000 0.888 76 R CB 1.325 31.639 30.300 0.024 0.000 1.251 76 R HN -0.112 nan 8.270 nan 0.000 0.464 77 V N 2.025 121.948 119.914 0.014 0.000 2.638 77 V HA 0.446 4.565 4.120 -0.001 0.000 0.306 77 V C -0.540 175.560 176.094 0.010 0.000 1.052 77 V CA -0.974 61.331 62.300 0.008 0.000 0.885 77 V CB 2.059 33.877 31.823 -0.010 0.000 0.999 77 V HN 0.576 nan 8.190 nan 0.000 0.424 78 I N 5.456 126.032 120.570 0.010 0.000 2.307 78 I HA 0.383 4.552 4.170 -0.001 0.000 0.289 78 I C -0.018 176.102 176.117 0.004 0.000 1.021 78 I CA -0.231 61.072 61.300 0.006 0.000 1.224 78 I CB 1.069 39.061 38.000 -0.013 0.000 1.376 78 I HN 0.415 nan 8.210 nan 0.000 0.470 79 L N 6.490 127.735 121.223 0.037 0.000 2.371 79 L HA 0.452 4.792 4.340 -0.001 0.000 0.272 79 L C -0.026 176.886 176.870 0.070 0.000 1.124 79 L CA -0.726 54.135 54.840 0.035 0.000 0.816 79 L CB 1.155 43.229 42.059 0.025 0.000 1.129 79 L HN 0.205 nan 8.230 nan 0.000 0.448 80 V N 3.658 123.579 119.914 0.011 0.000 2.384 80 V HA 0.499 4.619 4.120 -0.001 0.000 0.287 80 V C -0.038 176.079 176.094 0.040 0.000 1.020 80 V CA -0.573 61.721 62.300 -0.010 0.000 0.850 80 V CB 1.459 33.198 31.823 -0.141 0.000 0.987 80 V HN 0.723 nan 8.190 nan 0.000 0.436 81 R N 2.525 123.126 120.500 0.168 0.000 2.575 81 R HA 0.407 4.746 4.340 -0.001 0.000 0.293 81 R C -1.219 175.242 176.300 0.267 0.000 0.983 81 R CA -0.793 55.412 56.100 0.175 0.000 0.887 81 R CB 1.584 31.952 30.300 0.113 0.000 1.184 81 R HN 0.691 nan 8.270 nan 0.000 0.445 82 D N 3.714 124.259 120.400 0.241 0.000 2.533 82 D HA -0.035 4.605 4.640 -0.001 0.000 0.236 82 D C 1.452 177.804 176.300 0.087 0.000 1.137 82 D CA 0.582 54.672 54.000 0.149 0.000 0.867 82 D CB 1.051 41.896 40.800 0.074 0.000 1.170 82 D HN 0.601 nan 8.370 nan 0.000 0.474 83 V N 0.413 120.347 119.914 0.034 0.000 2.759 83 V HA 0.109 4.229 4.120 -0.001 0.000 0.256 83 V C 1.191 177.297 176.094 0.019 0.000 1.080 83 V CA 2.343 64.666 62.300 0.038 0.000 1.101 83 V CB -0.779 31.046 31.823 0.004 0.000 0.698 83 V HN 0.672 nan 8.190 nan 0.000 0.477 84 S N -1.328 114.372 115.700 -0.001 0.000 2.638 84 S HA 0.745 5.215 4.470 -0.001 0.000 0.274 84 S C 0.142 174.741 174.600 -0.002 0.000 1.157 84 S CA -0.124 58.075 58.200 -0.002 0.000 0.826 84 S CB 0.590 63.784 63.200 -0.009 0.000 1.139 84 S HN 1.150 nan 8.310 nan 0.000 0.474 85 K N 0.292 120.692 120.400 -0.001 0.000 2.402 85 K HA 0.511 4.830 4.320 -0.001 0.000 0.279 85 K C 1.500 178.099 176.600 -0.001 0.000 1.082 85 K CA 0.663 56.950 56.287 0.000 0.000 1.080 85 K CB -1.292 31.207 32.500 -0.000 0.000 0.899 85 K HN 2.577 nan 8.250 nan 0.000 0.469 86 G N 1.005 109.807 108.800 0.002 0.000 2.245 86 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.264 86 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.264 86 G C 1.564 176.455 174.900 -0.016 0.000 0.985 86 G CA 1.050 46.150 45.100 0.001 0.000 0.625 86 G HN 2.008 nan 8.290 nan 0.000 0.536 87 A N -0.722 122.079 122.820 -0.032 0.000 2.139 87 A HA 0.332 4.651 4.320 -0.001 0.000 0.221 87 A C 2.235 179.755 177.584 -0.107 0.000 1.159 87 A CA 3.128 55.129 52.037 -0.061 0.000 0.662 87 A CB -0.923 18.040 19.000 -0.062 0.000 0.796 87 A HN 2.556 nan 8.150 nan 0.000 0.463 88 E N -4.753 115.359 120.200 -0.146 0.000 3.870 88 E HA -0.199 4.150 4.350 -0.001 0.000 0.329 88 E C 0.619 176.997 176.600 -0.370 0.000 0.702 88 E CA 2.561 58.848 56.400 -0.188 0.000 1.174 88 E CB -2.668 26.987 29.700 -0.075 0.000 1.619 88 E HN 2.401 nan 8.360 nan 0.000 0.441 89 Q N -0.727 118.824 119.800 -0.416 0.000 2.345 89 Q HA 0.726 5.066 4.340 -0.001 0.000 0.268 89 Q C -0.298 175.408 176.000 -0.490 0.000 1.054 89 Q CA -0.041 55.525 55.803 -0.394 0.000 0.835 89 Q CB 0.915 29.566 28.738 -0.146 0.000 1.339 89 Q HN 0.963 nan 8.270 nan 0.000 0.447 90 H N -0.744 118.334 119.070 0.015 0.000 2.797 90 H HA 0.871 5.427 4.556 -0.001 0.000 0.372 90 H C -0.481 174.832 175.328 -0.025 0.000 1.168 90 H CA -0.246 55.809 56.048 0.012 0.000 1.163 90 H CB 2.381 32.150 29.762 0.011 0.000 1.778 90 H HN 0.950 nan 8.280 nan 0.000 0.551 91 A N 1.731 124.629 122.820 0.130 0.000 2.354 91 A HA 0.684 5.003 4.320 -0.001 0.000 0.321 91 A C -1.119 176.398 177.584 -0.111 0.000 1.125 91 A CA -0.763 51.233 52.037 -0.068 0.000 0.799 91 A CB 0.893 19.803 19.000 -0.150 0.000 1.293 91 A HN 0.570 nan 8.150 nan 0.000 0.452 92 L N 0.935 121.947 121.223 -0.351 0.000 2.307 92 L HA 0.602 4.942 4.340 -0.001 0.000 0.284 92 L C -1.484 175.106 176.870 -0.466 0.000 1.023 92 L CA -0.184 54.483 54.840 -0.288 0.000 0.810 92 L CB 1.257 43.115 42.059 -0.335 0.000 1.231 92 L HN 0.644 nan 8.230 nan 0.000 0.423 93 F N 2.017 121.915 119.950 -0.087 0.000 2.529 93 F HA 0.420 4.947 4.527 -0.001 0.000 0.320 93 F C 0.095 175.858 175.800 -0.061 0.000 1.118 93 F CA -0.784 57.177 58.000 -0.066 0.000 0.915 93 F CB 1.901 40.867 39.000 -0.058 0.000 1.161 93 F HN 0.301 nan 8.300 nan 0.000 0.445 94 K N 3.029 123.493 120.400 0.105 0.000 2.156 94 K HA 0.735 5.055 4.320 -0.001 0.000 0.271 94 K C -1.583 175.053 176.600 0.060 0.000 0.995 94 K CA -0.381 55.940 56.287 0.056 0.000 0.890 94 K CB 1.335 33.847 32.500 0.022 0.000 1.073 94 K HN 0.554 nan 8.250 nan 0.000 0.454 95 V N 3.827 123.762 119.914 0.034 0.000 2.487 95 V HA 0.140 4.259 4.120 -0.001 0.000 0.298 95 V C -0.442 175.659 176.094 0.012 0.000 1.028 95 V CA -1.156 61.154 62.300 0.016 0.000 0.860 95 V CB 1.481 33.299 31.823 -0.008 0.000 0.991 95 V HN 0.801 nan 8.190 nan 0.000 0.427 96 N N 2.689 121.396 118.700 0.012 0.000 2.452 96 N HA 0.068 4.808 4.740 -0.001 0.000 0.266 96 N C 1.525 177.040 175.510 0.009 0.000 1.209 96 N CA 0.653 53.710 53.050 0.012 0.000 0.929 96 N CB 1.464 39.959 38.487 0.013 0.000 1.063 96 N HN 0.892 nan 8.380 nan 0.000 0.472 97 T N -1.208 113.354 114.554 0.013 0.000 2.929 97 T HA -0.186 4.164 4.350 -0.001 0.000 0.271 97 T C 1.726 176.434 174.700 0.013 0.000 1.085 97 T CA 1.421 63.528 62.100 0.013 0.000 1.125 97 T CB -0.250 68.630 68.868 0.021 0.000 0.874 97 T HN 0.434 nan 8.240 nan 0.000 0.494 98 S N 0.898 116.607 115.700 0.014 0.000 2.496 98 S HA 0.252 4.721 4.470 -0.001 0.000 0.224 98 S C 1.400 176.005 174.600 0.008 0.000 0.996 98 S CA 0.164 58.371 58.200 0.013 0.000 0.927 98 S CB -0.429 62.779 63.200 0.014 0.000 0.774 98 S HN 0.846 nan 8.310 nan 0.000 0.524 99 R N 1.890 122.393 120.500 0.005 0.000 2.868 99 R HA 0.629 4.968 4.340 -0.001 0.000 0.289 99 R C -3.269 173.029 176.300 -0.005 0.000 1.443 99 R CA -2.022 54.079 56.100 0.002 0.000 1.651 99 R CB -0.898 29.404 30.300 0.003 0.000 1.242 99 R HN 0.474 nan 8.270 nan 0.000 0.621 100 P HA 0.280 nan 4.420 nan 0.000 0.271 100 P C 0.972 178.256 177.300 -0.027 0.000 1.216 100 P CA 1.560 64.649 63.100 -0.018 0.000 0.776 100 P CB 1.493 33.186 31.700 -0.013 0.000 0.881 101 G N 1.565 110.338 108.800 -0.044 0.000 2.199 101 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.254 101 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.254 101 G C -0.161 174.713 174.900 -0.044 0.000 0.982 101 G CA -0.203 44.865 45.100 -0.053 0.000 0.632 101 G HN 0.597 nan 8.290 nan 0.000 0.529 102 E N 1.293 121.477 120.200 -0.026 0.000 2.055 102 E HA 0.443 4.792 4.350 -0.001 0.000 0.274 102 E C -0.294 176.307 176.600 0.000 0.000 0.949 102 E CA -0.298 56.095 56.400 -0.012 0.000 0.775 102 E CB 0.929 30.627 29.700 -0.003 0.000 1.097 102 E HN 0.544 nan 8.360 nan 0.000 0.404 103 E N 2.541 122.745 120.200 0.007 0.000 2.191 103 E HA 0.158 4.507 4.350 -0.001 0.000 0.278 103 E C -0.591 176.083 176.600 0.123 0.000 0.972 103 E CA -0.570 55.865 56.400 0.057 0.000 0.804 103 E CB 1.752 31.449 29.700 -0.005 0.000 1.110 103 E HN 0.330 nan 8.360 nan 0.000 0.394 104 Q N 3.756 123.646 119.800 0.149 0.000 2.339 104 Q HA 0.205 4.544 4.340 -0.001 0.000 0.268 104 Q C -0.788 175.267 176.000 0.091 0.000 1.027 104 Q CA -0.710 55.157 55.803 0.107 0.000 0.759 104 Q CB 1.174 29.938 28.738 0.044 0.000 1.244 104 Q HN 0.385 nan 8.270 nan 0.000 0.464 105 R N 4.273 124.801 120.500 0.047 0.000 2.522 105 R HA 0.096 4.436 4.340 -0.001 0.000 0.284 105 R C -0.586 175.558 176.300 -0.260 0.000 1.032 105 R CA 0.044 55.941 56.100 -0.337 0.000 1.049 105 R CB 0.368 30.470 30.300 -0.330 0.000 0.956 105 R HN 0.686 nan 8.270 nan 0.000 0.422 106 L N 5.725 126.745 121.223 -0.340 0.000 2.356 106 L HA 0.109 4.449 4.340 -0.001 0.000 0.282 106 L C 1.081 177.827 176.870 -0.207 0.000 1.132 106 L CA 0.099 54.810 54.840 -0.215 0.000 0.923 106 L CB 0.676 42.613 42.059 -0.204 0.000 1.278 106 L HN 0.722 nan 8.230 nan 0.000 0.436 107 E N 2.007 122.120 120.200 -0.145 0.000 2.347 107 E HA -0.129 4.220 4.350 -0.001 0.000 0.196 107 E C 2.044 178.591 176.600 -0.088 0.000 1.008 107 E CA 0.863 57.193 56.400 -0.118 0.000 0.852 107 E CB 0.257 29.909 29.700 -0.079 0.000 0.783 107 E HN 0.837 nan 8.360 nan 0.000 0.505 108 A N 0.779 123.556 122.820 -0.072 0.000 2.067 108 A HA -0.053 4.266 4.320 -0.001 0.000 0.219 108 A C 1.164 178.714 177.584 -0.056 0.000 1.158 108 A CA 0.586 52.596 52.037 -0.045 0.000 0.661 108 A CB 0.198 19.187 19.000 -0.018 0.000 0.801 108 A HN 0.041 nan 8.150 nan 0.000 0.452 109 V N 1.221 121.079 119.914 -0.094 0.000 2.304 109 V HA 0.495 4.614 4.120 -0.001 0.000 0.269 109 V C 0.723 176.742 176.094 -0.124 0.000 1.036 109 V CA -0.294 61.937 62.300 -0.114 0.000 0.840 109 V CB 0.129 31.845 31.823 -0.178 0.000 1.036 109 V HN 0.567 nan 8.190 nan 0.000 0.466 110 K N 6.294 126.638 120.400 -0.093 0.000 2.344 110 K HA 0.342 4.662 4.320 -0.001 0.000 0.260 110 K C -2.396 174.167 176.600 -0.062 0.000 0.988 110 K CA -1.041 55.205 56.287 -0.068 0.000 0.909 110 K CB -0.758 31.717 32.500 -0.042 0.000 0.968 110 K HN 0.585 nan 8.250 nan 0.000 0.505 111 P HA 0.211 nan 4.420 nan 0.000 0.267 111 P C -0.338 176.961 177.300 -0.002 0.000 1.205 111 P CA 0.287 63.371 63.100 -0.027 0.000 0.765 111 P CB 0.270 31.955 31.700 -0.025 0.000 0.828 112 M N 0.093 119.708 119.600 0.025 0.000 2.773 112 M HA 0.477 4.957 4.480 -0.001 0.000 0.270 112 M C -0.888 175.483 176.300 0.118 0.000 1.238 112 M CA -1.246 54.097 55.300 0.072 0.000 0.832 112 M CB 2.318 34.984 32.600 0.109 0.000 1.672 112 M HN -0.079 nan 8.290 nan 0.000 0.480 113 R N 1.896 122.484 120.500 0.147 0.000 2.248 113 R HA 0.391 4.730 4.340 -0.001 0.000 0.337 113 R C -1.035 175.458 176.300 0.322 0.000 1.085 113 R CA -0.424 55.817 56.100 0.234 0.000 0.934 113 R CB 0.275 30.662 30.300 0.145 0.000 1.034 113 R HN 0.633 nan 8.270 nan 0.000 0.465 114 I N 7.208 128.043 120.570 0.442 0.000 2.452 114 I HA -0.043 4.126 4.170 -0.001 0.000 0.287 114 I C 1.151 177.340 176.117 0.120 0.000 1.079 114 I CA 0.221 61.637 61.300 0.193 0.000 1.387 114 I CB 1.101 39.096 38.000 -0.008 0.000 1.404 114 I HN 0.830 nan 8.210 nan 0.000 0.522 115 L N 4.866 126.189 121.223 0.166 0.000 2.316 115 L HA 0.074 4.414 4.340 -0.001 0.000 0.207 115 L C 0.814 177.841 176.870 0.262 0.000 1.070 115 L CA 0.479 55.405 54.840 0.142 0.000 0.820 115 L CB 0.015 42.047 42.059 -0.044 0.000 0.992 115 L HN 0.805 nan 8.230 nan 0.000 0.466 116 S N -1.619 114.237 115.700 0.260 0.000 2.636 116 S HA 0.791 5.260 4.470 -0.001 0.000 0.268 116 S C -0.688 174.085 174.600 0.288 0.000 1.159 116 S CA -0.153 58.227 58.200 0.299 0.000 0.815 116 S CB 1.933 65.375 63.200 0.404 0.000 1.130 116 S HN 0.151 nan 8.310 nan 0.000 0.471 117 G N -0.505 108.450 108.800 0.257 0.000 2.411 117 G HA2 0.532 4.491 3.960 -0.001 0.000 0.295 117 G HA3 0.532 4.491 3.960 -0.001 0.000 0.295 117 G C -2.119 172.912 174.900 0.219 0.000 1.542 117 G CA -0.254 45.011 45.100 0.275 0.000 0.814 117 G HN 1.272 nan 8.290 nan 0.000 0.557 118 V N 0.655 120.707 119.914 0.231 0.000 2.735 118 V HA 0.671 4.790 4.120 -0.001 0.000 0.310 118 V C -1.229 174.985 176.094 0.200 0.000 1.061 118 V CA -0.652 61.779 62.300 0.218 0.000 0.913 118 V CB 2.159 34.128 31.823 0.244 0.000 1.005 118 V HN 0.823 nan 8.190 nan 0.000 0.428 119 D N 1.840 122.351 120.400 0.185 0.000 2.440 119 D HA 0.303 4.942 4.640 -0.001 0.000 0.239 119 D C 1.063 177.414 176.300 0.086 0.000 1.084 119 D CA 0.079 54.154 54.000 0.125 0.000 0.843 119 D CB 2.131 42.988 40.800 0.095 0.000 1.097 119 D HN 0.680 nan 8.370 nan 0.000 0.531 120 T N 0.870 115.387 114.554 -0.061 0.000 3.055 120 T HA 0.213 4.563 4.350 -0.001 0.000 0.265 120 T C 1.523 176.126 174.700 -0.161 0.000 1.111 120 T CA 1.017 62.904 62.100 -0.356 0.000 1.118 120 T CB -0.004 68.673 68.868 -0.318 0.000 0.909 120 T HN 0.665 nan 8.240 nan 0.000 0.501 121 G N 0.947 109.725 108.800 -0.037 0.000 2.254 121 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.225 121 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.225 121 G C 0.883 175.782 174.900 -0.001 0.000 1.003 121 G CA 0.335 45.435 45.100 -0.001 0.000 0.622 121 G HN 0.540 nan 8.290 nan 0.000 0.507 122 E N -0.048 120.142 120.200 -0.016 0.000 2.434 122 E HA 0.530 4.879 4.350 -0.001 0.000 0.207 122 E C 0.845 177.452 176.600 0.012 0.000 0.929 122 E CA 0.844 57.243 56.400 -0.001 0.000 1.001 122 E CB 1.370 31.065 29.700 -0.009 0.000 1.016 122 E HN 1.073 nan 8.360 nan 0.000 0.502 123 A N 1.046 123.874 122.820 0.015 0.000 2.520 123 A HA 0.515 4.834 4.320 -0.001 0.000 0.298 123 A C -0.793 176.838 177.584 0.079 0.000 1.051 123 A CA -0.563 51.504 52.037 0.049 0.000 0.690 123 A CB 1.728 20.756 19.000 0.046 0.000 1.281 123 A HN -0.050 nan 8.150 nan 0.000 0.402 124 V N 2.328 122.321 119.914 0.131 0.000 2.364 124 V HA 0.430 4.550 4.120 -0.001 0.000 0.272 124 V C -0.285 176.008 176.094 0.332 0.000 1.036 124 V CA -0.345 62.074 62.300 0.198 0.000 0.880 124 V CB 1.115 33.034 31.823 0.160 0.000 0.991 124 V HN 0.614 nan 8.190 nan 0.000 0.460 125 V N 7.273 127.371 119.914 0.307 0.000 2.409 125 V HA 0.671 4.790 4.120 -0.001 0.000 0.291 125 V C -0.454 175.857 176.094 0.362 0.000 1.020 125 V CA -0.462 61.997 62.300 0.264 0.000 0.848 125 V CB 1.031 32.955 31.823 0.167 0.000 0.990 125 V HN 0.808 nan 8.190 nan 0.000 0.430 126 F N 1.707 121.767 119.950 0.183 0.000 2.645 126 F HA 0.870 5.396 4.527 -0.001 0.000 0.310 126 F C -0.183 175.760 175.800 0.238 0.000 1.102 126 F CA -0.877 57.238 58.000 0.192 0.000 0.952 126 F CB 1.758 40.849 39.000 0.152 0.000 1.326 126 F HN 0.402 nan 8.300 nan 0.000 0.456 127 T N -0.783 113.978 114.554 0.344 0.000 2.859 127 T HA 0.860 5.210 4.350 -0.001 0.000 0.281 127 T C -0.330 174.599 174.700 0.382 0.000 1.005 127 T CA -0.403 61.833 62.100 0.227 0.000 1.025 127 T CB 1.383 70.325 68.868 0.123 0.000 0.977 127 T HN 1.354 nan 8.240 nan 0.000 0.458 128 G N 0.093 109.126 108.800 0.390 0.000 2.706 128 G HA2 0.689 4.648 3.960 -0.001 0.000 0.297 128 G HA3 0.689 4.648 3.960 -0.001 0.000 0.297 128 G C -1.220 173.876 174.900 0.326 0.000 1.403 128 G CA -0.871 44.478 45.100 0.416 0.000 0.954 128 G HN 1.069 nan 8.290 nan 0.000 0.500 129 A N 1.183 124.166 122.820 0.272 0.000 2.288 129 A HA 0.862 5.181 4.320 -0.001 0.000 0.320 129 A C 0.654 178.356 177.584 0.197 0.000 1.217 129 A CA 0.037 52.223 52.037 0.248 0.000 0.840 129 A CB 0.751 19.955 19.000 0.340 0.000 1.179 129 A HN 1.351 nan 8.150 nan 0.000 0.504 130 T N -0.988 113.664 114.554 0.162 0.000 2.819 130 T HA 0.695 5.044 4.350 -0.001 0.000 0.271 130 T C 1.287 176.039 174.700 0.086 0.000 0.986 130 T CA 0.341 62.512 62.100 0.118 0.000 0.989 130 T CB 0.580 69.520 68.868 0.119 0.000 1.396 130 T HN 0.762 nan 8.240 nan 0.000 0.597 131 E N -0.397 119.839 120.200 0.061 0.000 2.208 131 E HA 0.054 4.403 4.350 -0.001 0.000 0.193 131 E C 1.926 178.545 176.600 0.031 0.000 0.988 131 E CA 1.859 58.284 56.400 0.043 0.000 0.828 131 E CB -1.757 nan 29.700 nan 0.000 0.763 131 E HN 0.889 nan 8.360 nan 0.000 0.478 132 D N -0.848 119.571 120.400 0.032 0.000 2.183 132 D HA 0.427 5.066 4.640 -0.001 0.000 0.205 132 D C 1.409 177.708 176.300 -0.001 0.000 0.962 132 D CA 1.965 55.973 54.000 0.014 0.000 0.849 132 D CB -0.107 40.703 40.800 0.017 0.000 0.978 132 D HN 0.837 nan 8.370 nan 0.000 0.488 133 R N -2.360 118.148 120.500 0.013 0.000 2.741 133 R HA 0.792 5.132 4.340 -0.001 0.000 0.276 133 R C -1.024 175.283 176.300 0.011 0.000 1.028 133 R CA -0.001 56.088 56.100 -0.019 0.000 0.865 133 R CB 0.527 30.801 30.300 -0.044 0.000 1.268 133 R HN 1.262 nan 8.270 nan 0.000 0.475 134 V N -0.162 119.730 119.914 -0.036 0.000 2.435 134 V HA 0.947 5.067 4.120 -0.001 0.000 0.290 134 V C 0.409 176.438 176.094 -0.109 0.000 1.030 134 V CA -0.433 61.867 62.300 -0.001 0.000 0.881 134 V CB 0.985 32.819 31.823 0.018 0.000 0.983 134 V HN 2.081 nan 8.190 nan 0.000 0.445 135 A N 4.088 126.820 122.820 -0.147 0.000 2.515 135 A HA 0.878 5.197 4.320 -0.001 0.000 0.296 135 A C -1.261 176.020 177.584 -0.506 0.000 1.094 135 A CA -0.583 51.200 52.037 -0.423 0.000 0.718 135 A CB 1.788 20.375 19.000 -0.688 0.000 1.307 135 A HN 1.962 nan 8.150 nan 0.000 0.408 136 L N 1.053 121.950 121.223 -0.543 0.000 2.282 136 L HA 0.755 5.095 4.340 -0.001 0.000 0.288 136 L C -1.508 175.001 176.870 -0.601 0.000 1.033 136 L CA -0.090 54.511 54.840 -0.399 0.000 0.807 136 L CB 0.369 42.308 42.059 -0.199 0.000 1.209 136 L HN 0.621 nan 8.230 nan 0.000 0.423 137 Y N 3.381 123.402 120.300 -0.465 0.000 2.562 137 Y HA 0.834 5.383 4.550 -0.001 0.000 0.343 137 Y C 0.005 175.648 175.900 -0.428 0.000 1.025 137 Y CA -0.723 57.039 58.100 -0.564 0.000 1.082 137 Y CB 2.207 40.006 38.460 -1.102 0.000 1.264 137 Y HN 0.725 nan 8.280 nan 0.000 0.478 138 A N 2.148 124.955 122.820 -0.023 0.000 2.381 138 A HA 0.684 5.004 4.320 -0.001 0.000 0.299 138 A C -2.210 175.452 177.584 0.131 0.000 1.049 138 A CA -0.554 51.520 52.037 0.062 0.000 0.715 138 A CB 1.158 20.188 19.000 0.050 0.000 1.222 138 A HN 0.623 nan 8.150 nan 0.000 0.428 139 L N 3.206 124.552 121.223 0.205 0.000 2.298 139 L HA 0.722 5.062 4.340 -0.001 0.000 0.284 139 L C -0.558 176.378 176.870 0.109 0.000 1.013 139 L CA -0.040 54.905 54.840 0.175 0.000 0.824 139 L CB 1.069 43.269 42.059 0.234 0.000 1.221 139 L HN 0.907 nan 8.230 nan 0.000 0.418 140 D N 2.007 122.451 120.400 0.073 0.000 2.846 140 D HA 0.475 5.115 4.640 -0.001 0.000 0.273 140 D C 0.975 177.296 176.300 0.035 0.000 1.145 140 D CA -0.126 53.903 54.000 0.048 0.000 1.091 140 D CB 0.352 41.176 40.800 0.040 0.000 1.364 140 D HN 0.348 nan 8.370 nan 0.000 0.613 141 G N -1.286 107.529 108.800 0.026 0.000 2.432 141 G HA2 0.001 3.961 3.960 -0.001 0.000 0.219 141 G HA3 0.001 3.961 3.960 -0.001 0.000 0.219 141 G C 1.271 176.182 174.900 0.018 0.000 1.135 141 G CA 0.567 45.679 45.100 0.019 0.000 0.767 141 G HN 0.580 nan 8.290 nan 0.000 0.550 142 G N -0.618 108.195 108.800 0.021 0.000 2.920 142 G HA2 0.454 4.413 3.960 -0.001 0.000 0.208 142 G HA3 0.454 4.413 3.960 -0.001 0.000 0.208 142 G C 0.833 175.747 174.900 0.022 0.000 1.159 142 G CA 0.619 45.731 45.100 0.019 0.000 0.784 142 G HN 1.263 nan 8.290 nan 0.000 0.535 143 G N -0.865 107.953 108.800 0.028 0.000 2.342 143 G HA2 0.124 4.084 3.960 -0.001 0.000 0.220 143 G HA3 0.124 4.084 3.960 -0.001 0.000 0.220 143 G C -1.149 173.781 174.900 0.051 0.000 1.243 143 G CA -0.376 44.743 45.100 0.032 0.000 1.083 143 G HN 0.759 nan 8.290 nan 0.000 0.500 144 L N 0.928 122.185 121.223 0.056 0.000 2.292 144 L HA 0.833 5.172 4.340 -0.001 0.000 0.284 144 L C 0.604 177.529 176.870 0.091 0.000 1.065 144 L CA -0.344 54.548 54.840 0.086 0.000 0.806 144 L CB 0.921 43.022 42.059 0.069 0.000 1.175 144 L HN 0.638 nan 8.230 nan 0.000 0.431 145 R N 3.471 124.035 120.500 0.107 0.000 2.599 145 R HA 0.349 4.688 4.340 -0.001 0.000 0.295 145 R C -0.987 175.378 176.300 0.108 0.000 0.963 145 R CA -0.730 55.420 56.100 0.084 0.000 0.883 145 R CB 1.789 32.114 30.300 0.042 0.000 1.171 145 R HN 0.611 nan 8.270 nan 0.000 0.450 146 E N 3.881 124.112 120.200 0.052 0.000 2.105 146 E HA 0.068 4.418 4.350 -0.001 0.000 0.285 146 E C 0.474 176.984 176.600 -0.151 0.000 1.055 146 E CA -0.128 56.194 56.400 -0.130 0.000 0.843 146 E CB 0.709 30.320 29.700 -0.149 0.000 1.067 146 E HN 0.551 nan 8.360 nan 0.000 0.398 147 L N 3.261 124.370 121.223 -0.190 0.000 2.131 147 L HA 0.170 4.509 4.340 -0.001 0.000 0.206 147 L C 0.776 177.558 176.870 -0.148 0.000 1.087 147 L CA 0.662 55.428 54.840 -0.125 0.000 0.767 147 L CB -0.040 41.967 42.059 -0.087 0.000 0.917 147 L HN 0.515 nan 8.230 nan 0.000 0.441 148 A N -1.012 121.672 122.820 -0.227 0.000 2.594 148 A HA 0.686 5.005 4.320 -0.001 0.000 0.296 148 A C -0.554 176.848 177.584 -0.303 0.000 1.056 148 A CA -0.508 51.390 52.037 -0.231 0.000 0.693 148 A CB 0.697 19.573 19.000 -0.207 0.000 1.278 148 A HN 0.022 nan 8.150 nan 0.000 0.408 149 R N 1.105 121.444 120.500 -0.269 0.000 2.390 149 R HA 0.732 5.071 4.340 -0.001 0.000 0.291 149 R C -0.602 175.495 176.300 -0.338 0.000 1.070 149 R CA -0.076 55.858 56.100 -0.276 0.000 1.014 149 R CB -0.105 30.068 30.300 -0.212 0.000 1.007 149 R HN 0.802 nan 8.270 nan 0.000 0.466 150 L N 3.769 124.773 121.223 -0.364 0.000 2.325 150 L HA 0.476 4.816 4.340 -0.001 0.000 0.278 150 L C -1.195 175.355 176.870 -0.534 0.000 1.023 150 L CA -2.241 52.274 54.840 -0.542 0.000 0.811 150 L CB 2.555 44.360 42.059 -0.423 0.000 1.249 150 L HN 0.597 nan 8.230 nan 0.000 0.431 151 P HA 0.061 nan 4.420 nan 0.000 0.242 151 P C 0.377 177.525 177.300 -0.252 0.000 1.197 151 P CA 0.476 63.276 63.100 -0.501 0.000 0.765 151 P CB 0.535 31.916 31.700 -0.531 0.000 0.936 152 G N -0.957 107.762 108.800 -0.136 0.000 2.428 152 G HA2 0.329 4.288 3.960 -0.001 0.000 0.305 152 G HA3 0.329 4.288 3.960 -0.001 0.000 0.305 152 G C -1.593 173.403 174.900 0.160 0.000 1.260 152 G CA -0.790 44.318 45.100 0.013 0.000 0.853 152 G HN -0.193 nan 8.290 nan 0.000 0.480 153 F N 1.381 121.478 119.950 0.245 0.000 2.578 153 F HA 0.517 5.044 4.527 -0.001 0.000 0.381 153 F C 1.186 177.064 175.800 0.128 0.000 1.069 153 F CA 0.545 58.606 58.000 0.101 0.000 1.231 153 F CB 0.953 40.002 39.000 0.082 0.000 1.086 153 F HN 0.618 nan 8.300 nan 0.000 0.564 154 G N 2.488 111.314 108.800 0.044 0.000 2.642 154 G HA2 0.725 4.684 3.960 -0.001 0.000 0.293 154 G HA3 0.725 4.684 3.960 -0.001 0.000 0.293 154 G C -2.115 172.554 174.900 -0.384 0.000 1.341 154 G CA -0.706 44.418 45.100 0.040 0.000 0.916 154 G HN 0.287 nan 8.290 nan 0.000 0.474 155 F N 0.186 120.399 119.950 0.438 0.000 2.557 155 F HA 0.404 4.931 4.527 -0.001 0.000 0.316 155 F C 0.183 176.139 175.800 0.259 0.000 1.141 155 F CA -0.940 57.243 58.000 0.307 0.000 0.922 155 F CB 2.359 41.490 39.000 0.219 0.000 1.194 155 F HN 0.264 nan 8.300 nan 0.000 0.443 156 V N 2.665 122.802 119.914 0.372 0.000 2.521 156 V HA 0.096 4.216 4.120 -0.001 0.000 0.286 156 V C 0.471 176.663 176.094 0.163 0.000 1.034 156 V CA 0.481 62.918 62.300 0.228 0.000 1.045 156 V CB 0.997 32.964 31.823 0.240 0.000 0.974 156 V HN 1.001 nan 8.190 nan 0.000 0.480 157 S N 2.187 117.911 115.700 0.040 0.000 2.506 157 S HA 0.151 4.620 4.470 -0.001 0.000 0.230 157 S C 0.258 174.884 174.600 0.043 0.000 1.066 157 S CA 0.229 58.448 58.200 0.031 0.000 0.940 157 S CB 0.186 63.347 63.200 -0.065 0.000 0.818 157 S HN 0.929 nan 8.310 nan 0.000 0.518 158 D N -0.935 119.480 120.400 0.026 0.000 2.685 158 D HA 0.457 5.097 4.640 -0.001 0.000 0.236 158 D C -1.874 174.476 176.300 0.084 0.000 1.233 158 D CA -0.452 53.580 54.000 0.055 0.000 0.760 158 D CB 1.487 42.288 40.800 0.002 0.000 1.410 158 D HN 0.112 nan 8.370 nan 0.000 0.439 159 I N 1.501 122.175 120.570 0.174 0.000 2.533 159 I HA 0.617 4.786 4.170 -0.001 0.000 0.290 159 I C -1.654 174.599 176.117 0.227 0.000 1.056 159 I CA -0.742 60.666 61.300 0.180 0.000 1.057 159 I CB 1.420 39.527 38.000 0.178 0.000 1.240 159 I HN 0.374 nan 8.210 nan 0.000 0.423 160 R N 5.772 126.347 120.500 0.125 0.000 2.502 160 R HA 0.579 4.918 4.340 -0.001 0.000 0.298 160 R C 0.370 176.707 176.300 0.062 0.000 1.018 160 R CA 0.429 56.596 56.100 0.111 0.000 0.899 160 R CB 1.469 31.789 30.300 0.033 0.000 1.181 160 R HN 1.024 nan 8.270 nan 0.000 0.444 161 G N 3.593 112.429 108.800 0.060 0.000 2.622 161 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.307 161 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.307 161 G C 0.289 175.206 174.900 0.028 0.000 1.226 161 G CA 0.694 45.812 45.100 0.030 0.000 0.997 161 G HN 0.675 nan 8.290 nan 0.000 0.551 162 D N 0.080 120.493 120.400 0.023 0.000 2.349 162 D HA 0.246 4.886 4.640 -0.001 0.000 0.215 162 D C 0.996 177.317 176.300 0.035 0.000 1.016 162 D CA 0.093 54.109 54.000 0.026 0.000 0.870 162 D CB 0.066 40.878 40.800 0.020 0.000 0.917 162 D HN 0.293 nan 8.370 nan 0.000 0.524 163 L N 1.234 122.476 121.223 0.032 0.000 2.290 163 L HA 0.345 4.685 4.340 -0.001 0.000 0.284 163 L C -0.556 176.340 176.870 0.043 0.000 1.078 163 L CA -0.183 54.677 54.840 0.033 0.000 0.815 163 L CB 0.600 42.664 42.059 0.009 0.000 1.162 163 L HN -0.162 nan 8.230 nan 0.000 0.435 164 I N 5.183 125.788 120.570 0.058 0.000 2.377 164 I HA 0.649 4.818 4.170 -0.001 0.000 0.293 164 I C 0.013 176.129 176.117 -0.003 0.000 0.987 164 I CA -0.363 60.974 61.300 0.061 0.000 1.185 164 I CB 1.623 39.694 38.000 0.118 0.000 1.341 164 I HN 0.769 nan 8.210 nan 0.000 0.455 165 A N 4.293 127.058 122.820 -0.092 0.000 2.374 165 A HA 0.986 5.306 4.320 -0.001 0.000 0.317 165 A C -0.229 177.086 177.584 -0.448 0.000 1.094 165 A CA -0.429 51.450 52.037 -0.263 0.000 0.765 165 A CB 1.640 20.512 19.000 -0.213 0.000 1.268 165 A HN 0.851 nan 8.150 nan 0.000 0.438 166 G N -0.453 107.807 108.800 -0.901 0.000 2.600 166 G HA2 0.579 4.538 3.960 -0.001 0.000 0.293 166 G HA3 0.579 4.538 3.960 -0.001 0.000 0.293 166 G C -1.823 172.638 174.900 -0.732 0.000 1.408 166 G CA -0.654 43.879 45.100 -0.946 0.000 0.782 166 G HN 0.759 nan 8.290 nan 0.000 0.482 167 L N -0.031 121.092 121.223 -0.166 0.000 2.365 167 L HA 0.791 5.131 4.340 -0.001 0.000 0.273 167 L C 0.349 177.325 176.870 0.176 0.000 1.000 167 L CA -0.809 54.041 54.840 0.016 0.000 0.819 167 L CB 2.486 44.571 42.059 0.044 0.000 1.284 167 L HN 0.807 nan 8.230 nan 0.000 0.418 168 G N 1.024 109.663 108.800 -0.268 0.000 2.617 168 G HA2 0.599 4.558 3.960 -0.001 0.000 0.306 168 G HA3 0.599 4.558 3.960 -0.001 0.000 0.306 168 G C -1.284 173.222 174.900 -0.656 0.000 1.360 168 G CA -0.352 44.177 45.100 -0.951 0.000 0.983 168 G HN 0.314 nan 8.290 nan 0.000 0.496 169 F N 2.411 122.297 119.950 -0.108 0.000 2.605 169 F HA 0.329 4.855 4.527 -0.001 0.000 0.352 169 F C 0.647 176.610 175.800 0.272 0.000 1.236 169 F CA -0.451 57.621 58.000 0.120 0.000 1.267 169 F CB 0.058 39.218 39.000 0.268 0.000 1.632 169 F HN 0.451 nan 8.300 nan 0.000 0.639 170 F N 1.103 121.171 119.950 0.197 0.000 2.668 170 F HA 0.398 4.924 4.527 -0.001 0.000 0.297 170 F C 1.228 177.078 175.800 0.083 0.000 1.124 170 F CA -0.316 57.749 58.000 0.107 0.000 1.353 170 F CB 0.055 39.098 39.000 0.072 0.000 0.992 170 F HN 0.476 nan 8.300 nan 0.000 0.524 171 G N -0.206 108.760 108.800 0.276 0.000 2.619 171 G HA2 0.223 4.182 3.960 -0.001 0.000 0.686 171 G HA3 0.223 4.182 3.960 -0.001 0.000 0.686 171 G C 0.372 175.357 174.900 0.142 0.000 1.256 171 G CA -0.541 44.666 45.100 0.179 0.000 0.826 171 G HN 0.782 nan 8.290 nan 0.000 0.619 172 G N -1.215 107.650 108.800 0.107 0.000 2.175 172 G HA2 0.407 4.367 3.960 -0.001 0.000 0.244 172 G HA3 0.407 4.367 3.960 -0.001 0.000 0.244 172 G C 1.801 176.746 174.900 0.074 0.000 0.982 172 G CA 1.029 46.176 45.100 0.079 0.000 0.641 172 G HN 3.134 nan 8.290 nan 0.000 0.527 173 G N -1.185 107.680 108.800 0.108 0.000 2.199 173 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.254 173 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.254 173 G C 0.401 175.368 174.900 0.110 0.000 0.982 173 G CA 1.399 46.568 45.100 0.115 0.000 0.632 173 G HN 1.165 nan 8.290 nan 0.000 0.529 174 R N -1.199 119.335 120.500 0.055 0.000 2.905 174 R HA 0.676 5.015 4.340 -0.001 0.000 0.260 174 R C -0.914 175.287 176.300 -0.165 0.000 1.086 174 R CA -0.817 55.258 56.100 -0.041 0.000 0.978 174 R CB 1.706 31.976 30.300 -0.051 0.000 1.215 174 R HN 0.099 nan 8.270 nan 0.000 0.480 175 V N 1.702 121.453 119.914 -0.271 0.000 2.350 175 V HA 0.222 4.341 4.120 -0.001 0.000 0.276 175 V C 0.018 176.076 176.094 -0.060 0.000 1.028 175 V CA -0.334 61.730 62.300 -0.393 0.000 0.860 175 V CB 1.309 32.827 31.823 -0.509 0.000 0.990 175 V HN 0.694 nan 8.190 nan 0.000 0.453 176 S N 4.564 120.235 115.700 -0.048 0.000 2.652 176 S HA 0.620 5.089 4.470 -0.001 0.000 0.270 176 S C -0.292 174.378 174.600 0.118 0.000 1.243 176 S CA -0.457 57.852 58.200 0.180 0.000 0.999 176 S CB 1.477 64.773 63.200 0.160 0.000 0.973 176 S HN 0.548 nan 8.310 nan 0.000 0.544 177 L N 2.475 123.745 121.223 0.077 0.000 2.357 177 L HA 0.695 5.034 4.340 -0.001 0.000 0.273 177 L C -0.852 176.166 176.870 0.246 0.000 1.080 177 L CA -0.194 54.541 54.840 -0.176 0.000 0.803 177 L CB 0.364 41.991 42.059 -0.721 0.000 1.174 177 L HN 0.632 nan 8.230 nan 0.000 0.443 178 F N 0.786 120.824 119.950 0.146 0.000 2.613 178 F HA 0.888 5.414 4.527 -0.001 0.000 0.314 178 F C -0.662 175.281 175.800 0.239 0.000 1.075 178 F CA -0.516 57.652 58.000 0.279 0.000 0.945 178 F CB 1.378 40.573 39.000 0.325 0.000 1.310 178 F HN 0.573 nan 8.300 nan 0.000 0.467 179 T N -0.698 114.168 114.554 0.519 0.000 2.907 179 T HA 0.753 5.102 4.350 -0.001 0.000 0.292 179 T C -0.880 174.045 174.700 0.375 0.000 1.043 179 T CA -0.642 61.657 62.100 0.332 0.000 1.003 179 T CB 1.610 70.647 68.868 0.280 0.000 1.084 179 T HN 0.966 nan 8.240 nan 0.000 0.483 180 S N 0.058 115.920 115.700 0.270 0.000 2.811 180 S HA 0.842 5.311 4.470 -0.001 0.000 0.311 180 S C -0.686 173.980 174.600 0.110 0.000 1.152 180 S CA -0.150 58.156 58.200 0.177 0.000 0.864 180 S CB 0.824 64.130 63.200 0.177 0.000 1.226 180 S HN 1.309 nan 8.310 nan 0.000 0.541 181 N N 0.840 119.583 118.700 0.071 0.000 2.354 181 N HA 0.549 5.289 4.740 -0.001 0.000 0.287 181 N C 0.335 175.870 175.510 0.041 0.000 1.016 181 N CA -0.458 52.623 53.050 0.050 0.000 0.871 181 N CB 1.183 39.691 38.487 0.035 0.000 1.299 181 N HN 0.531 nan 8.380 nan 0.000 0.482 182 L N 1.696 122.943 121.223 0.041 0.000 2.042 182 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 182 L C 2.506 179.390 176.870 0.023 0.000 1.076 182 L CA 3.267 58.128 54.840 0.034 0.000 0.749 182 L CB -0.642 41.437 42.059 0.034 0.000 0.893 182 L HN 0.812 nan 8.230 nan 0.000 0.432 183 S N -1.902 113.810 115.700 0.019 0.000 2.371 183 S HA -0.070 4.400 4.470 -0.001 0.000 0.221 183 S C 1.773 176.378 174.600 0.009 0.000 1.036 183 S CA 0.821 59.029 58.200 0.014 0.000 0.965 183 S CB -0.759 62.448 63.200 0.012 0.000 0.845 183 S HN 0.578 nan 8.310 nan 0.000 0.475 184 S N 0.662 116.367 115.700 0.008 0.000 2.524 184 S HA 0.552 5.021 4.470 -0.001 0.000 0.215 184 S C 1.310 175.907 174.600 -0.006 0.000 0.986 184 S CA 0.186 58.387 58.200 0.001 0.000 0.911 184 S CB -0.505 62.696 63.200 0.002 0.000 0.805 184 S HN 1.213 nan 8.310 nan 0.000 0.501 185 G N 1.191 109.990 108.800 -0.002 0.000 2.552 185 G HA2 0.272 4.232 3.960 -0.001 0.000 0.265 185 G HA3 0.272 4.232 3.960 -0.001 0.000 0.265 185 G C 0.443 175.335 174.900 -0.013 0.000 1.234 185 G CA -0.244 44.846 45.100 -0.015 0.000 0.944 185 G HN 2.080 nan 8.290 nan 0.000 0.568 186 G N -2.642 106.135 108.800 -0.038 0.000 2.712 186 G HA2 0.432 4.391 3.960 -0.001 0.000 0.683 186 G HA3 0.432 4.391 3.960 -0.001 0.000 0.683 186 G C -0.861 174.017 174.900 -0.036 0.000 1.320 186 G CA 0.260 45.335 45.100 -0.042 0.000 0.847 186 G HN 2.236 nan 8.290 nan 0.000 0.553 187 L N -0.417 120.776 121.223 -0.050 0.000 2.455 187 L HA 0.927 5.266 4.340 -0.001 0.000 0.264 187 L C -0.503 176.340 176.870 -0.045 0.000 0.968 187 L CA -0.937 53.877 54.840 -0.043 0.000 0.827 187 L CB 2.077 44.042 42.059 -0.156 0.000 1.317 187 L HN 0.958 nan 8.230 nan 0.000 0.407 188 R N 3.486 123.984 120.500 -0.003 0.000 2.502 188 R HA 0.738 5.077 4.340 -0.001 0.000 0.300 188 R C -2.031 174.130 176.300 -0.231 0.000 0.984 188 R CA -0.671 55.327 56.100 -0.171 0.000 0.882 188 R CB 1.562 31.780 30.300 -0.138 0.000 1.180 188 R HN 0.409 nan 8.270 nan 0.000 0.444 189 V N 5.587 125.310 119.914 -0.319 0.000 2.483 189 V HA 0.567 4.687 4.120 -0.001 0.000 0.295 189 V C -0.625 175.245 176.094 -0.374 0.000 1.035 189 V CA -0.549 61.686 62.300 -0.107 0.000 0.896 189 V CB 1.554 33.447 31.823 0.116 0.000 0.986 189 V HN 0.545 nan 8.190 nan 0.000 0.447 190 F N 2.081 122.118 119.950 0.146 0.000 2.434 190 F HA 0.383 4.910 4.527 -0.001 0.000 0.355 190 F C 0.247 176.180 175.800 0.222 0.000 1.115 190 F CA -0.737 57.337 58.000 0.123 0.000 1.010 190 F CB 1.221 40.236 39.000 0.025 0.000 1.234 190 F HN 0.499 nan 8.300 nan 0.000 0.439 191 D N 0.962 121.550 120.400 0.315 0.000 2.399 191 D HA 0.112 4.751 4.640 -0.001 0.000 0.241 191 D C 0.988 177.466 176.300 0.297 0.000 1.133 191 D CA 0.160 54.316 54.000 0.261 0.000 0.890 191 D CB 1.127 42.017 40.800 0.150 0.000 1.201 191 D HN 0.470 nan 8.370 nan 0.000 0.432 192 S N 1.992 117.788 115.700 0.160 0.000 2.575 192 S HA 0.316 4.785 4.470 -0.001 0.000 0.215 192 S C 1.439 175.952 174.600 -0.145 0.000 0.966 192 S CA 0.080 58.188 58.200 -0.154 0.000 0.911 192 S CB -0.393 62.567 63.200 -0.399 0.000 0.780 192 S HN 0.864 nan 8.310 nan 0.000 0.514 193 G N 2.598 111.381 108.800 -0.028 0.000 2.591 193 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.298 193 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.298 193 G C 0.514 175.384 174.900 -0.050 0.000 1.195 193 G CA 0.518 45.603 45.100 -0.026 0.000 0.989 193 G HN 0.443 nan 8.290 nan 0.000 0.551 194 E N 1.182 121.348 120.200 -0.057 0.000 2.274 194 E HA 0.225 4.575 4.350 -0.001 0.000 0.194 194 E C 1.773 178.322 176.600 -0.086 0.000 0.996 194 E CA 0.590 56.956 56.400 -0.057 0.000 0.840 194 E CB -0.145 29.529 29.700 -0.043 0.000 0.772 194 E HN 0.667 nan 8.360 nan 0.000 0.491 195 G N -0.333 108.384 108.800 -0.138 0.000 2.736 195 G HA2 0.404 4.364 3.960 -0.001 0.000 0.229 195 G HA3 0.404 4.364 3.960 -0.001 0.000 0.229 195 G C -0.876 173.885 174.900 -0.231 0.000 1.380 195 G CA -0.397 44.595 45.100 -0.181 0.000 1.040 195 G HN 0.029 nan 8.290 nan 0.000 0.568 196 S N -1.363 114.169 115.700 -0.281 0.000 2.649 196 S HA 0.511 4.981 4.470 -0.001 0.000 0.274 196 S C -1.245 173.200 174.600 -0.257 0.000 1.176 196 S CA -0.687 57.366 58.200 -0.245 0.000 0.988 196 S CB 0.358 63.476 63.200 -0.137 0.000 1.071 196 S HN 0.329 nan 8.310 nan 0.000 0.478 197 F N 2.984 122.876 119.950 -0.096 0.000 2.484 197 F HA 0.239 4.766 4.527 -0.001 0.000 0.360 197 F C 1.850 177.587 175.800 -0.105 0.000 1.101 197 F CA 0.429 58.374 58.000 -0.092 0.000 1.251 197 F CB 1.364 40.309 39.000 -0.092 0.000 1.132 197 F HN 0.736 nan 8.300 nan 0.000 0.570 198 S N -0.188 115.581 115.700 0.115 0.000 2.549 198 S HA 0.286 4.756 4.470 -0.001 0.000 0.225 198 S C -0.039 174.577 174.600 0.026 0.000 1.039 198 S CA 0.353 58.577 58.200 0.041 0.000 0.942 198 S CB 0.073 63.294 63.200 0.035 0.000 0.881 198 S HN 0.603 nan 8.310 nan 0.000 0.503 199 S N -0.131 115.578 115.700 0.016 0.000 2.565 199 S HA 0.806 5.275 4.470 -0.001 0.000 0.274 199 S C -1.096 173.439 174.600 -0.108 0.000 1.144 199 S CA -0.466 57.701 58.200 -0.054 0.000 0.849 199 S CB 1.062 64.216 63.200 -0.077 0.000 1.103 199 S HN 1.334 nan 8.310 nan 0.000 0.455 200 A N 0.611 123.330 122.820 -0.169 0.000 2.547 200 A HA 0.936 5.256 4.320 -0.001 0.000 0.297 200 A C -0.669 176.797 177.584 -0.197 0.000 1.056 200 A CA -0.520 51.401 52.037 -0.194 0.000 0.688 200 A CB 1.685 20.549 19.000 -0.227 0.000 1.282 200 A HN 1.576 nan 8.150 nan 0.000 0.400 201 S N 0.680 116.286 115.700 -0.157 0.000 2.541 201 S HA 0.690 5.159 4.470 -0.001 0.000 0.271 201 S C -1.265 173.365 174.600 0.050 0.000 1.133 201 S CA -0.462 57.700 58.200 -0.064 0.000 0.876 201 S CB 0.764 63.888 63.200 -0.126 0.000 1.105 201 S HN 0.641 nan 8.310 nan 0.000 0.470 202 I N 3.899 124.487 120.570 0.029 0.000 2.325 202 I HA 0.278 4.447 4.170 -0.001 0.000 0.291 202 I C 0.849 176.804 176.117 -0.269 0.000 1.019 202 I CA -0.294 60.962 61.300 -0.073 0.000 1.302 202 I CB 1.625 39.580 38.000 -0.075 0.000 1.401 202 I HN 0.716 nan 8.210 nan 0.000 0.485 203 S N 6.481 121.920 115.700 -0.436 0.000 2.576 203 S HA 0.203 4.672 4.470 -0.001 0.000 0.272 203 S C -1.771 172.487 174.600 -0.571 0.000 1.352 203 S CA -0.921 56.719 58.200 -0.934 0.000 1.021 203 S CB 0.595 63.488 63.200 -0.512 0.000 0.887 203 S HN 0.408 nan 8.310 nan 0.000 0.542 204 P HA 0.022 nan 4.420 nan 0.000 0.218 204 P C 1.330 178.518 177.300 -0.186 0.000 1.148 204 P CA 1.536 64.470 63.100 -0.277 0.000 0.822 204 P CB -0.443 31.128 31.700 -0.215 0.000 0.784 205 G N -1.261 107.425 108.800 -0.190 0.000 3.061 205 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.208 205 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.208 205 G C 0.531 175.363 174.900 -0.114 0.000 1.175 205 G CA -0.077 44.948 45.100 -0.125 0.000 0.812 205 G HN 0.028 nan 8.290 nan 0.000 0.523 206 M N -0.605 118.913 119.600 -0.137 0.000 2.653 206 M HA -0.124 4.355 4.480 -0.001 0.000 0.203 206 M C -0.292 175.944 176.300 -0.106 0.000 0.502 206 M CA 0.937 56.172 55.300 -0.108 0.000 0.601 206 M CB -2.047 30.512 32.600 -0.069 0.000 2.228 206 M HN 0.198 nan 8.290 nan 0.000 0.711 207 K N 0.191 120.514 120.400 -0.129 0.000 2.139 207 K HA 0.747 5.066 4.320 -0.001 0.000 0.243 207 K C 0.219 176.734 176.600 -0.142 0.000 0.983 207 K CA -0.666 55.544 56.287 -0.127 0.000 0.890 207 K CB 1.842 34.278 32.500 -0.106 0.000 1.090 207 K HN 0.048 nan 8.250 nan 0.000 0.445 208 V N 2.142 121.951 119.914 -0.175 0.000 2.333 208 V HA 0.138 4.257 4.120 -0.001 0.000 0.274 208 V C -0.024 175.982 176.094 -0.146 0.000 1.028 208 V CA -0.625 61.564 62.300 -0.185 0.000 0.851 208 V CB 1.017 32.663 31.823 -0.294 0.000 1.000 208 V HN 0.665 nan 8.190 nan 0.000 0.456 209 T N 4.907 119.425 114.554 -0.060 0.000 2.832 209 T HA 0.651 5.000 4.350 -0.001 0.000 0.296 209 T C 0.212 174.844 174.700 -0.113 0.000 0.968 209 T CA -0.001 62.069 62.100 -0.051 0.000 1.107 209 T CB 1.206 70.091 68.868 0.029 0.000 0.916 209 T HN 0.954 nan 8.240 nan 0.000 0.517 210 A N 2.177 124.947 122.820 -0.084 0.000 2.539 210 A HA 0.822 5.141 4.320 -0.001 0.000 0.296 210 A C 0.060 177.671 177.584 0.044 0.000 1.073 210 A CA -0.846 51.165 52.037 -0.044 0.000 0.700 210 A CB 1.544 20.506 19.000 -0.063 0.000 1.296 210 A HN 0.950 nan 8.150 nan 0.000 0.405 211 G N 0.046 108.881 108.800 0.059 0.000 2.325 211 G HA2 0.545 4.504 3.960 -0.001 0.000 0.298 211 G HA3 0.545 4.504 3.960 -0.001 0.000 0.298 211 G C -0.993 173.985 174.900 0.129 0.000 1.134 211 G CA -0.189 44.954 45.100 0.072 0.000 0.876 211 G HN 0.979 nan 8.290 nan 0.000 0.452 212 L N 2.220 123.473 121.223 0.050 0.000 2.318 212 L HA 0.470 4.809 4.340 -0.001 0.000 0.277 212 L C 0.140 176.949 176.870 -0.101 0.000 1.008 212 L CA -0.611 54.158 54.840 -0.119 0.000 0.846 212 L CB 0.949 42.887 42.059 -0.202 0.000 1.220 212 L HN 0.569 nan 8.230 nan 0.000 0.423 213 E N 2.512 122.650 120.200 -0.104 0.000 2.319 213 E HA 0.573 4.923 4.350 -0.001 0.000 0.268 213 E C -0.201 176.339 176.600 -0.100 0.000 1.050 213 E CA -0.220 56.137 56.400 -0.070 0.000 0.878 213 E CB 1.198 30.872 29.700 -0.043 0.000 1.066 213 E HN 0.720 nan 8.360 nan 0.000 0.406 214 T N -2.467 112.044 114.554 -0.072 0.000 2.669 214 T HA 0.506 4.855 4.350 -0.001 0.000 0.283 214 T C 0.828 175.501 174.700 -0.045 0.000 1.019 214 T CA -0.253 61.805 62.100 -0.070 0.000 1.039 214 T CB 1.002 69.831 68.868 -0.065 0.000 1.374 214 T HN 0.332 nan 8.240 nan 0.000 0.523 215 A N 0.002 122.800 122.820 -0.036 0.000 2.070 215 A HA 0.123 4.442 4.320 -0.001 0.000 0.220 215 A C 1.958 179.540 177.584 -0.004 0.000 1.159 215 A CA 1.033 53.060 52.037 -0.016 0.000 0.656 215 A CB -0.609 18.384 19.000 -0.012 0.000 0.800 215 A HN 0.754 nan 8.150 nan 0.000 0.453 216 R N -1.382 119.107 120.500 -0.019 0.000 2.548 216 R HA 0.321 4.660 4.340 -0.001 0.000 0.107 216 R C -0.397 175.880 176.300 -0.039 0.000 1.296 216 R CA -0.653 55.435 56.100 -0.021 0.000 1.097 216 R CB 0.073 30.359 30.300 -0.023 0.000 0.937 216 R HN 0.293 nan 8.270 nan 0.000 0.400 217 E N 0.882 121.051 120.200 -0.052 0.000 2.366 217 E HA 0.330 4.680 4.350 -0.001 0.000 0.266 217 E C -0.919 175.649 176.600 -0.054 0.000 1.051 217 E CA -0.430 55.929 56.400 -0.068 0.000 0.884 217 E CB 1.392 31.039 29.700 -0.088 0.000 1.006 217 E HN 0.377 nan 8.360 nan 0.000 0.417 218 A N 3.584 126.377 122.820 -0.046 0.000 2.354 218 A HA 0.370 4.689 4.320 -0.001 0.000 0.269 218 A C -0.143 177.447 177.584 0.011 0.000 1.109 218 A CA -0.374 51.656 52.037 -0.010 0.000 0.800 218 A CB 0.426 19.445 19.000 0.032 0.000 1.045 218 A HN 0.619 nan 8.150 nan 0.000 0.489 219 R N 1.406 121.923 120.500 0.029 0.000 2.892 219 R HA 0.697 5.036 4.340 -0.001 0.000 0.265 219 R C -1.350 175.015 176.300 0.108 0.000 1.025 219 R CA -0.875 55.272 56.100 0.079 0.000 0.982 219 R CB 1.325 31.649 30.300 0.040 0.000 1.185 219 R HN 0.560 nan 8.270 nan 0.000 0.484 220 L N 2.472 123.778 121.223 0.138 0.000 2.272 220 L HA 0.415 4.755 4.340 -0.001 0.000 0.289 220 L C -0.424 176.465 176.870 0.032 0.000 1.032 220 L CA -0.864 54.003 54.840 0.045 0.000 0.810 220 L CB 1.630 43.656 42.059 -0.056 0.000 1.205 220 L HN 0.530 nan 8.230 nan 0.000 0.422 221 V N 0.420 120.354 119.914 0.034 0.000 2.960 221 V HA 0.649 4.768 4.120 -0.001 0.000 0.315 221 V C -0.166 175.931 176.094 0.004 0.000 1.087 221 V CA -0.523 61.799 62.300 0.038 0.000 0.982 221 V CB 1.958 33.835 31.823 0.090 0.000 1.039 221 V HN 0.627 nan 8.190 nan 0.000 0.437 222 T N 2.459 117.007 114.554 -0.010 0.000 2.756 222 T HA 0.604 4.954 4.350 -0.001 0.000 0.290 222 T C -0.393 174.267 174.700 -0.067 0.000 0.985 222 T CA -0.264 61.810 62.100 -0.043 0.000 0.955 222 T CB 1.159 70.006 68.868 -0.035 0.000 0.930 222 T HN 0.706 nan 8.240 nan 0.000 0.451 223 V N 3.802 123.630 119.914 -0.143 0.000 2.347 223 V HA 0.281 4.401 4.120 -0.001 0.000 0.280 223 V C 0.166 176.104 176.094 -0.261 0.000 1.021 223 V CA -0.941 61.218 62.300 -0.235 0.000 0.847 223 V CB 1.416 32.975 31.823 -0.439 0.000 0.990 223 V HN 0.789 nan 8.190 nan 0.000 0.444 224 D N 8.027 128.321 120.400 -0.178 0.000 2.325 224 D HA 0.224 4.863 4.640 -0.001 0.000 0.251 224 D C -1.319 174.893 176.300 -0.147 0.000 1.196 224 D CA -2.017 51.906 54.000 -0.128 0.000 0.866 224 D CB 2.088 42.857 40.800 -0.052 0.000 1.101 224 D HN 0.262 nan 8.370 nan 0.000 0.476 225 P HA -0.016 nan 4.420 nan 0.000 0.233 225 P C 0.876 178.262 177.300 0.143 0.000 1.167 225 P CA 0.381 63.453 63.100 -0.047 0.000 0.770 225 P CB 0.475 32.146 31.700 -0.049 0.000 0.837 226 R N 0.651 121.193 120.500 0.070 0.000 2.193 226 R HA -0.038 4.302 4.340 -0.001 0.000 0.213 226 R C 1.097 177.458 176.300 0.101 0.000 1.055 226 R CA 1.567 57.714 56.100 0.078 0.000 0.995 226 R CB -0.222 30.100 30.300 0.036 0.000 0.893 226 R HN 0.306 nan 8.270 nan 0.000 0.459 227 D N -2.834 117.641 120.400 0.125 0.000 2.480 227 D HA 0.047 4.687 4.640 -0.001 0.000 0.276 227 D C 0.880 177.290 176.300 0.184 0.000 1.294 227 D CA 0.497 54.572 54.000 0.125 0.000 0.829 227 D CB 0.104 40.946 40.800 0.070 0.000 1.242 227 D HN 0.101 nan 8.370 nan 0.000 0.513 228 G N 1.204 110.180 108.800 0.293 0.000 2.155 228 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.257 228 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.257 228 G C 0.412 175.412 174.900 0.168 0.000 0.983 228 G CA 0.675 45.998 45.100 0.372 0.000 0.676 228 G HN 1.035 nan 8.290 nan 0.000 0.528 229 S N -1.155 114.594 115.700 0.082 0.000 2.562 229 S HA 0.601 5.070 4.470 -0.001 0.000 0.281 229 S C 0.030 174.644 174.600 0.024 0.000 1.333 229 S CA -0.024 58.206 58.200 0.051 0.000 1.052 229 S CB 2.480 65.698 63.200 0.029 0.000 0.884 229 S HN 1.114 nan 8.310 nan 0.000 0.506 230 V N 3.625 123.563 119.914 0.040 0.000 2.577 230 V HA 0.602 4.722 4.120 -0.001 0.000 0.303 230 V C -0.258 175.854 176.094 0.030 0.000 1.042 230 V CA -0.613 61.711 62.300 0.040 0.000 0.872 230 V CB 1.313 33.191 31.823 0.093 0.000 0.998 230 V HN 1.091 nan 8.190 nan 0.000 0.423 231 E N 2.171 122.382 120.200 0.018 0.000 2.367 231 E HA 0.529 4.878 4.350 -0.001 0.000 0.273 231 E C -1.624 174.985 176.600 0.015 0.000 0.903 231 E CA -1.014 55.395 56.400 0.015 0.000 0.764 231 E CB 2.167 31.871 29.700 0.007 0.000 1.252 231 E HN 0.434 nan 8.360 nan 0.000 0.446 232 D N 1.442 121.851 120.400 0.016 0.000 2.455 232 D HA 0.123 4.762 4.640 -0.001 0.000 0.241 232 D C -0.544 175.765 176.300 0.014 0.000 1.138 232 D CA -0.057 53.954 54.000 0.019 0.000 0.877 232 D CB 0.812 41.624 40.800 0.020 0.000 1.187 232 D HN 0.300 nan 8.370 nan 0.000 0.451 233 L N 2.785 124.015 121.223 0.012 0.000 2.275 233 L HA 0.228 4.567 4.340 -0.001 0.000 0.288 233 L C -0.216 176.657 176.870 0.006 0.000 1.046 233 L CA -0.285 54.554 54.840 -0.002 0.000 0.805 233 L CB 0.938 42.982 42.059 -0.025 0.000 1.193 233 L HN 0.115 nan 8.230 nan 0.000 0.426 234 E N 5.705 125.909 120.200 0.007 0.000 2.227 234 E HA 0.397 4.746 4.350 -0.001 0.000 0.282 234 E C -0.889 175.714 176.600 0.004 0.000 1.015 234 E CA -0.271 56.138 56.400 0.014 0.000 0.823 234 E CB 1.684 31.392 29.700 0.014 0.000 1.081 234 E HN 0.604 nan 8.360 nan 0.000 0.396 235 L N 3.831 125.060 121.223 0.009 0.000 2.334 235 L HA 0.314 4.654 4.340 -0.001 0.000 0.272 235 L C -1.404 175.476 176.870 0.017 0.000 1.020 235 L CA -2.055 52.783 54.840 -0.004 0.000 0.812 235 L CB 1.148 43.187 42.059 -0.032 0.000 1.264 235 L HN 0.223 nan 8.230 nan 0.000 0.439 236 P HA -0.117 nan 4.420 nan 0.000 0.216 236 P C 0.323 177.643 177.300 0.033 0.000 1.150 236 P CA 0.937 64.050 63.100 0.022 0.000 0.837 236 P CB 0.241 31.952 31.700 0.019 0.000 0.786 237 S N -0.617 115.111 115.700 0.046 0.000 2.525 237 S HA 0.274 4.744 4.470 -0.001 0.000 0.290 237 S C 0.730 175.378 174.600 0.081 0.000 1.152 237 S CA -0.665 57.574 58.200 0.065 0.000 1.072 237 S CB 0.452 63.702 63.200 0.083 0.000 1.027 237 S HN -0.206 nan 8.310 nan 0.000 0.500 238 K N 2.859 123.305 120.400 0.077 0.000 2.410 238 K HA 0.156 4.476 4.320 -0.001 0.000 0.200 238 K C 0.329 176.983 176.600 0.089 0.000 1.023 238 K CA 0.027 56.357 56.287 0.073 0.000 1.149 238 K CB -0.146 32.382 32.500 0.047 0.000 0.859 238 K HN 0.584 nan 8.250 nan 0.000 0.514 239 D N 0.675 121.162 120.400 0.145 0.000 2.117 239 D HA -0.175 4.464 4.640 -0.001 0.000 0.197 239 D C 1.540 177.939 176.300 0.164 0.000 0.987 239 D CA 0.879 55.011 54.000 0.221 0.000 0.829 239 D CB -0.184 40.822 40.800 0.343 0.000 0.961 239 D HN 0.172 nan 8.370 nan 0.000 0.460 240 F N 2.035 121.869 119.950 -0.194 0.000 2.069 240 F HA -0.251 4.275 4.527 -0.001 0.000 0.298 240 F C 2.508 178.130 175.800 -0.295 0.000 1.113 240 F CA 2.145 59.700 58.000 -0.742 0.000 1.214 240 F CB -0.455 38.073 39.000 -0.787 0.000 0.978 240 F HN -0.015 nan 8.300 nan 0.000 0.474 241 S N -0.385 115.178 115.700 -0.228 0.000 2.383 241 S HA -0.177 4.292 4.470 -0.001 0.000 0.227 241 S C 2.121 176.607 174.600 -0.190 0.000 1.026 241 S CA 1.081 59.132 58.200 -0.249 0.000 0.981 241 S CB -1.319 61.853 63.200 -0.046 0.000 0.818 241 S HN 0.533 nan 8.310 nan 0.000 0.472 242 S N 0.029 115.683 115.700 -0.078 0.000 2.481 242 S HA -0.021 4.448 4.470 -0.001 0.000 0.231 242 S C 1.579 176.180 174.600 0.001 0.000 0.996 242 S CA 0.363 58.546 58.200 -0.028 0.000 0.942 242 S CB -0.951 62.262 63.200 0.022 0.000 0.768 242 S HN 0.580 nan 8.310 nan 0.000 0.520 243 Y N 2.833 123.038 120.300 -0.159 0.000 2.333 243 Y HA 0.070 4.619 4.550 -0.001 0.000 0.290 243 Y C 0.772 176.581 175.900 -0.151 0.000 1.144 243 Y CA 0.928 58.968 58.100 -0.100 0.000 1.228 243 Y CB -0.451 37.972 38.460 -0.062 0.000 0.985 243 Y HN 0.213 nan 8.280 nan 0.000 0.542 244 R N -0.159 120.184 120.500 -0.262 0.000 3.146 244 R HA -0.162 4.177 4.340 -0.001 0.000 0.250 244 R C -2.733 173.367 176.300 -0.333 0.000 0.912 244 R CA 0.279 56.209 56.100 -0.284 0.000 0.633 244 R CB -1.956 28.212 30.300 -0.221 0.000 1.180 244 R HN 0.299 nan 8.270 nan 0.000 0.464 245 P HA 0.001 nan 4.420 nan 0.000 0.271 245 P C 0.742 177.980 177.300 -0.104 0.000 1.218 245 P CA 0.134 63.160 63.100 -0.123 0.000 0.780 245 P CB 0.965 32.704 31.700 0.065 0.000 0.901 246 T N -1.649 112.859 114.554 -0.077 0.000 3.022 246 T HA 0.505 4.854 4.350 -0.001 0.000 0.250 246 T C 0.594 175.279 174.700 -0.024 0.000 1.060 246 T CA -0.023 62.036 62.100 -0.069 0.000 1.013 246 T CB 0.137 68.935 68.868 -0.115 0.000 0.982 246 T HN 0.600 nan 8.240 nan 0.000 0.508 247 A N 0.767 123.603 122.820 0.027 0.000 2.572 247 A HA 0.776 5.095 4.320 -0.001 0.000 0.295 247 A C -1.481 176.180 177.584 0.128 0.000 1.072 247 A CA -0.979 51.092 52.037 0.057 0.000 0.691 247 A CB 1.226 20.249 19.000 0.039 0.000 1.291 247 A HN 0.387 nan 8.150 nan 0.000 0.404 248 I N 1.945 122.588 120.570 0.121 0.000 2.420 248 I HA 0.239 4.408 4.170 -0.001 0.000 0.282 248 I C 0.885 177.079 176.117 0.129 0.000 1.019 248 I CA -0.358 61.035 61.300 0.154 0.000 1.130 248 I CB 1.958 40.038 38.000 0.133 0.000 1.262 248 I HN 0.772 nan 8.210 nan 0.000 0.454 249 T N 4.212 118.870 114.554 0.174 0.000 2.812 249 T HA -0.077 4.273 4.350 -0.001 0.000 0.264 249 T C -0.262 174.593 174.700 0.258 0.000 1.042 249 T CA 1.306 63.517 62.100 0.185 0.000 1.140 249 T CB 0.078 69.070 68.868 0.206 0.000 0.870 249 T HN 0.643 nan 8.240 nan 0.000 0.445 250 W N 0.860 122.183 121.300 0.038 0.000 3.419 250 W HA 0.476 5.135 4.660 -0.001 0.000 0.298 250 W C -2.584 173.930 176.519 -0.008 0.000 1.260 250 W CA -1.438 55.916 57.345 0.014 0.000 1.199 250 W CB 0.878 30.349 29.460 0.019 0.000 1.349 250 W HN 0.097 nan 8.180 nan 0.000 0.557 251 L N 3.108 123.664 121.223 -1.111 0.000 2.469 251 L HA 1.130 5.469 4.340 -0.001 0.000 0.256 251 L C -0.553 175.229 176.870 -1.814 0.000 1.006 251 L CA -0.641 53.446 54.840 -1.255 0.000 0.832 251 L CB 1.843 43.528 42.059 -0.624 0.000 1.421 251 L HN 0.839 nan 8.230 nan 0.000 0.410 252 G N -0.173 107.770 108.800 -1.429 0.000 2.702 252 G HA2 0.494 4.453 3.960 -0.001 0.000 0.296 252 G HA3 0.494 4.453 3.960 -0.001 0.000 0.296 252 G C -2.205 172.426 174.900 -0.449 0.000 1.463 252 G CA -0.658 43.979 45.100 -0.771 0.000 0.890 252 G HN 0.550 nan 8.290 nan 0.000 0.534 253 Y N 0.945 121.167 120.300 -0.130 0.000 2.335 253 Y HA 0.414 4.963 4.550 -0.001 0.000 0.331 253 Y C 1.371 177.267 175.900 -0.007 0.000 1.094 253 Y CA -0.217 57.841 58.100 -0.070 0.000 1.253 253 Y CB 0.913 39.324 38.460 -0.082 0.000 1.203 253 Y HN 0.290 nan 8.280 nan 0.000 0.508 254 L N 5.769 127.040 121.223 0.080 0.000 2.476 254 L HA 0.138 4.478 4.340 -0.001 0.000 0.255 254 L C -1.284 175.504 176.870 -0.138 0.000 1.218 254 L CA -1.715 53.111 54.840 -0.024 0.000 0.819 254 L CB 0.245 42.301 42.059 -0.006 0.000 1.119 254 L HN 0.464 nan 8.230 nan 0.000 0.485 255 P HA -0.141 nan 4.420 nan 0.000 0.220 255 P C 0.494 177.718 177.300 -0.126 0.000 1.148 255 P CA 0.955 63.879 63.100 -0.294 0.000 0.803 255 P CB -0.027 31.414 31.700 -0.431 0.000 0.782 256 D N -1.958 118.386 120.400 -0.093 0.000 2.363 256 D HA 0.082 4.721 4.640 -0.001 0.000 0.226 256 D C 1.442 177.736 176.300 -0.009 0.000 1.020 256 D CA 0.727 54.702 54.000 -0.042 0.000 0.892 256 D CB -0.967 39.814 40.800 -0.031 0.000 0.900 256 D HN 0.219 nan 8.370 nan 0.000 0.531 257 G N -0.086 108.722 108.800 0.014 0.000 2.195 257 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.246 257 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.246 257 G C 0.345 175.344 174.900 0.165 0.000 0.984 257 G CA -0.122 45.020 45.100 0.070 0.000 0.633 257 G HN 0.450 nan 8.290 nan 0.000 0.525 258 R N -0.345 120.210 120.500 0.093 0.000 2.594 258 R HA 0.503 4.842 4.340 -0.001 0.000 0.272 258 R C 0.013 176.313 176.300 -0.000 0.000 1.074 258 R CA -0.466 55.670 56.100 0.060 0.000 1.105 258 R CB 0.839 31.151 30.300 0.019 0.000 1.008 258 R HN 0.258 nan 8.270 nan 0.000 0.472 259 L N 2.075 123.216 121.223 -0.135 0.000 2.264 259 L HA 0.391 4.730 4.340 -0.001 0.000 0.289 259 L C -0.649 176.060 176.870 -0.268 0.000 1.044 259 L CA 0.074 54.639 54.840 -0.457 0.000 0.807 259 L CB 1.198 42.907 42.059 -0.583 0.000 1.192 259 L HN 0.716 nan 8.230 nan 0.000 0.425 260 A N 5.326 128.008 122.820 -0.231 0.000 2.290 260 A HA 0.748 5.067 4.320 -0.001 0.000 0.310 260 A C -0.913 176.604 177.584 -0.111 0.000 1.202 260 A CA -0.464 51.552 52.037 -0.035 0.000 0.837 260 A CB 0.868 19.987 19.000 0.198 0.000 1.139 260 A HN 0.569 nan 8.150 nan 0.000 0.509 261 V N 2.913 122.834 119.914 0.013 0.000 2.709 261 V HA 0.476 4.596 4.120 -0.001 0.000 0.308 261 V C -0.580 175.679 176.094 0.275 0.000 1.062 261 V CA -0.542 61.763 62.300 0.008 0.000 0.901 261 V CB 1.952 33.630 31.823 -0.241 0.000 1.003 261 V HN 0.663 nan 8.190 nan 0.000 0.425 262 V N 3.358 123.467 119.914 0.324 0.000 2.448 262 V HA 0.927 5.047 4.120 -0.001 0.000 0.295 262 V C 0.179 176.482 176.094 0.348 0.000 1.025 262 V CA -0.208 62.301 62.300 0.349 0.000 0.859 262 V CB 1.464 33.498 31.823 0.350 0.000 0.988 262 V HN 1.092 nan 8.190 nan 0.000 0.431 263 A N 5.717 128.783 122.820 0.410 0.000 2.527 263 A HA 0.991 5.311 4.320 -0.001 0.000 0.293 263 A C -0.736 177.116 177.584 0.446 0.000 1.117 263 A CA -0.949 51.341 52.037 0.422 0.000 0.723 263 A CB 1.973 21.302 19.000 0.549 0.000 1.313 263 A HN 0.808 nan 8.150 nan 0.000 0.411 264 R N -0.006 120.732 120.500 0.397 0.000 2.807 264 R HA 0.843 5.183 4.340 -0.001 0.000 0.276 264 R C -0.589 175.839 176.300 0.214 0.000 0.979 264 R CA -0.935 55.362 56.100 0.328 0.000 0.928 264 R CB 2.403 32.792 30.300 0.150 0.000 1.191 264 R HN 0.879 nan 8.270 nan 0.000 0.471 265 R N 0.618 121.186 120.500 0.113 0.000 2.594 265 R HA 0.159 4.498 4.340 -0.001 0.000 0.265 265 R C -1.115 175.157 176.300 -0.047 0.000 1.070 265 R CA -0.517 55.524 56.100 -0.099 0.000 0.909 265 R CB 1.518 31.613 30.300 -0.342 0.000 1.243 265 R HN 0.848 nan 8.270 nan 0.000 0.455 266 E N 1.963 122.065 120.200 -0.164 0.000 2.440 266 E HA -0.261 4.089 4.350 -0.001 0.000 0.246 266 E C 0.503 177.220 176.600 0.194 0.000 1.165 266 E CA 1.061 57.468 56.400 0.011 0.000 0.726 266 E CB -1.310 28.540 29.700 0.251 0.000 1.271 266 E HN 1.155 nan 8.360 nan 0.000 0.397 267 G N -0.336 108.504 108.800 0.066 0.000 2.179 267 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.260 267 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.260 267 G C 0.207 175.122 174.900 0.026 0.000 0.977 267 G CA 0.632 45.788 45.100 0.092 0.000 0.641 267 G HN 0.308 nan 8.290 nan 0.000 0.533 268 R N -0.292 120.278 120.500 0.117 0.000 2.837 268 R HA 0.711 5.050 4.340 -0.001 0.000 0.271 268 R C 0.091 176.511 176.300 0.200 0.000 0.993 268 R CA -0.030 56.143 56.100 0.121 0.000 0.931 268 R CB 1.882 32.298 30.300 0.193 0.000 1.206 268 R HN 0.432 nan 8.270 nan 0.000 0.474 269 S N 0.148 115.967 115.700 0.198 0.000 2.726 269 S HA 0.925 5.395 4.470 -0.001 0.000 0.308 269 S C -0.866 173.932 174.600 0.329 0.000 1.115 269 S CA -0.762 57.620 58.200 0.302 0.000 0.965 269 S CB 2.223 65.578 63.200 0.259 0.000 1.145 269 S HN 0.703 nan 8.310 nan 0.000 0.532 270 A N 0.203 123.115 122.820 0.153 0.000 2.572 270 A HA 0.742 5.062 4.320 -0.001 0.000 0.295 270 A C -1.364 176.012 177.584 -0.347 0.000 1.072 270 A CA -0.755 51.133 52.037 -0.249 0.000 0.691 270 A CB 1.506 20.073 19.000 -0.722 0.000 1.291 270 A HN 0.986 nan 8.150 nan 0.000 0.404 271 V N 1.241 120.766 119.914 -0.647 0.000 2.459 271 V HA 0.685 4.805 4.120 -0.001 0.000 0.295 271 V C -1.255 174.419 176.094 -0.699 0.000 1.029 271 V CA -0.184 61.854 62.300 -0.437 0.000 0.874 271 V CB 0.851 32.470 31.823 -0.339 0.000 0.985 271 V HN 0.665 nan 8.190 nan 0.000 0.438 272 F N 4.703 124.631 119.950 -0.037 0.000 2.556 272 F HA 0.655 5.181 4.527 -0.001 0.000 0.314 272 F C -0.352 175.417 175.800 -0.053 0.000 1.106 272 F CA -0.868 57.112 58.000 -0.034 0.000 0.911 272 F CB 1.925 40.927 39.000 0.004 0.000 1.190 272 F HN 0.141 nan 8.300 nan 0.000 0.448 273 I N 2.796 123.437 120.570 0.118 0.000 2.410 273 I HA 0.230 4.399 4.170 -0.001 0.000 0.286 273 I C -0.374 175.765 176.117 0.038 0.000 1.009 273 I CA -0.740 60.587 61.300 0.046 0.000 1.111 273 I CB 1.133 39.148 38.000 0.026 0.000 1.262 273 I HN 0.611 nan 8.210 nan 0.000 0.443 274 D N 5.643 126.037 120.400 -0.011 0.000 2.701 274 D HA -0.196 4.443 4.640 -0.001 0.000 0.235 274 D C 1.353 177.662 176.300 0.015 0.000 1.155 274 D CA 1.709 55.699 54.000 -0.017 0.000 0.649 274 D CB -0.716 40.086 40.800 0.003 0.000 1.050 274 D HN 1.133 nan 8.370 nan 0.000 0.425 275 G N -0.279 108.539 108.800 0.030 0.000 2.241 275 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.244 275 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.244 275 G C 0.165 175.220 174.900 0.259 0.000 0.998 275 G CA 0.385 45.543 45.100 0.096 0.000 0.621 275 G HN 0.589 nan 8.290 nan 0.000 0.519 276 E N 0.898 121.229 120.200 0.219 0.000 2.229 276 E HA 0.487 4.836 4.350 -0.001 0.000 0.283 276 E C 0.605 177.326 176.600 0.201 0.000 1.030 276 E CA -0.822 55.696 56.400 0.196 0.000 0.836 276 E CB 0.433 30.188 29.700 0.091 0.000 1.068 276 E HN 0.384 nan 8.360 nan 0.000 0.401 277 R N 3.232 123.826 120.500 0.156 0.000 2.491 277 R HA 0.198 4.537 4.340 -0.001 0.000 0.283 277 R C -0.977 175.211 176.300 -0.186 0.000 1.072 277 R CA -0.376 55.595 56.100 -0.214 0.000 1.048 277 R CB 0.747 30.898 30.300 -0.247 0.000 0.983 277 R HN 0.310 nan 8.270 nan 0.000 0.450 278 V N 3.586 123.329 119.914 -0.284 0.000 2.483 278 V HA 0.148 4.267 4.120 -0.001 0.000 0.295 278 V C -0.125 175.837 176.094 -0.220 0.000 1.035 278 V CA -0.803 61.380 62.300 -0.195 0.000 0.896 278 V CB 1.526 33.244 31.823 -0.174 0.000 0.986 278 V HN 0.768 nan 8.190 nan 0.000 0.447 279 E N 2.960 123.072 120.200 -0.147 0.000 2.415 279 E HA 0.468 4.818 4.350 -0.001 0.000 0.263 279 E C -0.212 176.289 176.600 -0.165 0.000 0.995 279 E CA 0.457 56.781 56.400 -0.127 0.000 0.915 279 E CB 0.756 30.410 29.700 -0.078 0.000 0.951 279 E HN 0.955 nan 8.360 nan 0.000 0.449 280 A N 5.027 127.743 122.820 -0.174 0.000 2.572 280 A HA 0.626 4.946 4.320 -0.001 0.000 0.295 280 A C -2.623 174.902 177.584 -0.099 0.000 1.072 280 A CA -1.550 50.354 52.037 -0.220 0.000 0.691 280 A CB 1.145 19.837 19.000 -0.513 0.000 1.291 280 A HN 0.620 nan 8.150 nan 0.000 0.404 281 P HA 0.133 nan 4.420 nan 0.000 0.268 281 P C -0.654 176.685 177.300 0.065 0.000 1.205 281 P CA 0.058 63.058 63.100 -0.165 0.000 0.771 281 P CB 0.347 31.698 31.700 -0.582 0.000 0.858 282 Q N 1.107 120.981 119.800 0.124 0.000 2.263 282 Q HA 0.358 4.698 4.340 -0.001 0.000 0.289 282 Q C 0.886 177.062 176.000 0.294 0.000 1.061 282 Q CA 1.195 57.120 55.803 0.202 0.000 0.927 282 Q CB 0.163 29.000 28.738 0.165 0.000 1.154 282 Q HN 0.855 nan 8.270 nan 0.000 0.378 283 G N 3.099 111.994 108.800 0.159 0.000 2.384 283 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.150 283 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.150 283 G C -1.275 173.486 174.900 -0.231 0.000 1.269 283 G CA -0.807 44.288 45.100 -0.007 0.000 1.094 283 G HN 0.553 nan 8.290 nan 0.000 0.467 284 N N 0.268 118.730 118.700 -0.397 0.000 2.240 284 N HA 0.649 5.389 4.740 -0.001 0.000 0.302 284 N C -1.548 173.637 175.510 -0.542 0.000 1.106 284 N CA -0.359 52.435 53.050 -0.426 0.000 0.778 284 N CB 1.887 40.252 38.487 -0.203 0.000 1.431 284 N HN 0.588 nan 8.380 nan 0.000 0.479 285 H N -1.010 118.093 119.070 0.056 0.000 2.747 285 H HA 0.590 5.146 4.556 -0.001 0.000 0.371 285 H C 0.571 175.898 175.328 -0.002 0.000 1.161 285 H CA -0.778 55.293 56.048 0.038 0.000 1.167 285 H CB 1.823 31.607 29.762 0.038 0.000 1.732 285 H HN 0.612 nan 8.280 nan 0.000 0.544 286 G N -0.065 108.768 108.800 0.056 0.000 2.940 286 G HA2 0.219 4.178 3.960 -0.001 0.000 0.164 286 G HA3 0.219 4.178 3.960 -0.001 0.000 0.164 286 G C -0.410 174.350 174.900 -0.232 0.000 1.326 286 G CA -1.023 44.033 45.100 -0.074 0.000 1.020 286 G HN 0.733 nan 8.290 nan 0.000 0.586 287 R N -1.088 119.080 120.500 -0.553 0.000 2.734 287 R HA 0.322 4.661 4.340 -0.001 0.000 0.266 287 R C -1.187 174.685 176.300 -0.713 0.000 1.044 287 R CA -0.099 55.288 56.100 -1.188 0.000 1.128 287 R CB 0.493 30.008 30.300 -1.308 0.000 1.010 287 R HN 0.127 nan 8.270 nan 0.000 0.461 288 V N 4.250 123.680 119.914 -0.807 0.000 2.495 288 V HA 0.424 4.543 4.120 -0.001 0.000 0.298 288 V C -0.075 175.978 176.094 -0.068 0.000 1.031 288 V CA -0.669 61.497 62.300 -0.224 0.000 0.871 288 V CB 1.452 33.292 31.823 0.029 0.000 0.988 288 V HN 0.740 nan 8.190 nan 0.000 0.432 289 V N 3.060 122.987 119.914 0.021 0.000 3.001 289 V HA 0.781 4.900 4.120 -0.001 0.000 0.314 289 V C -0.992 175.249 176.094 0.244 0.000 1.099 289 V CA -1.119 61.299 62.300 0.196 0.000 0.989 289 V CB 2.091 33.968 31.823 0.090 0.000 1.040 289 V HN 0.641 nan 8.190 nan 0.000 0.434 290 L N 3.371 124.804 121.223 0.349 0.000 2.272 290 L HA 0.728 5.067 4.340 -0.001 0.000 0.289 290 L C -1.220 175.882 176.870 0.387 0.000 1.032 290 L CA -0.134 54.866 54.840 0.267 0.000 0.810 290 L CB 1.132 43.280 42.059 0.149 0.000 1.205 290 L HN 0.962 nan 8.230 nan 0.000 0.422 291 W N 6.889 128.255 121.300 0.111 0.000 2.756 291 W HA 0.498 5.158 4.660 -0.001 0.000 0.333 291 W C -0.066 176.494 176.519 0.069 0.000 1.025 291 W CA -0.890 56.517 57.345 0.104 0.000 1.246 291 W CB 0.769 30.281 29.460 0.087 0.000 1.358 291 W HN 0.640 nan 8.180 nan 0.000 0.444 292 R N 4.584 124.874 120.500 -0.350 0.000 3.333 292 R HA -0.198 4.142 4.340 -0.001 0.000 0.256 292 R C 1.092 177.264 176.300 -0.212 0.000 1.010 292 R CA 1.279 57.134 56.100 -0.407 0.000 0.680 292 R CB -1.854 27.975 30.300 -0.785 0.000 1.102 292 R HN 1.526 nan 8.270 nan 0.000 0.440 293 G N -0.524 108.226 108.800 -0.084 0.000 2.196 293 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.268 293 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.268 293 G C 0.081 174.973 174.900 -0.013 0.000 0.975 293 G CA 1.179 46.255 45.100 -0.039 0.000 0.648 293 G HN 0.439 nan 8.290 nan 0.000 0.538 294 K N -0.430 119.976 120.400 0.010 0.000 2.267 294 K HA 0.673 4.993 4.320 -0.001 0.000 0.246 294 K C 0.189 176.855 176.600 0.110 0.000 0.954 294 K CA -0.980 55.334 56.287 0.045 0.000 0.824 294 K CB 1.903 34.427 32.500 0.041 0.000 1.167 294 K HN 0.108 nan 8.250 nan 0.000 0.431 295 L N 2.031 123.301 121.223 0.077 0.000 2.349 295 L HA 0.349 4.688 4.340 -0.001 0.000 0.275 295 L C -0.377 176.541 176.870 0.080 0.000 1.115 295 L CA -0.716 54.170 54.840 0.076 0.000 0.820 295 L CB 0.944 43.017 42.059 0.024 0.000 1.135 295 L HN 0.221 nan 8.230 nan 0.000 0.445 296 V N 1.818 121.777 119.914 0.076 0.000 2.789 296 V HA 0.659 4.778 4.120 -0.001 0.000 0.311 296 V C -0.162 175.905 176.094 -0.045 0.000 1.073 296 V CA -0.431 61.884 62.300 0.025 0.000 0.921 296 V CB 2.142 33.991 31.823 0.043 0.000 1.009 296 V HN 0.852 nan 8.190 nan 0.000 0.426 297 T N 1.558 116.072 114.554 -0.067 0.000 2.787 297 T HA 0.600 4.949 4.350 -0.001 0.000 0.297 297 T C -0.504 174.168 174.700 -0.046 0.000 1.221 297 T CA 0.023 62.077 62.100 -0.077 0.000 1.006 297 T CB 1.993 70.828 68.868 -0.055 0.000 1.328 297 T HN 1.015 nan 8.240 nan 0.000 0.509 298 S N 1.184 116.869 115.700 -0.025 0.000 2.654 298 S HA 0.618 5.087 4.470 -0.001 0.000 0.283 298 S C -0.747 173.940 174.600 0.144 0.000 1.180 298 S CA -0.574 57.638 58.200 0.020 0.000 1.021 298 S CB 1.029 64.217 63.200 -0.021 0.000 1.018 298 S HN 0.861 nan 8.310 nan 0.000 0.532 299 H N -0.105 118.965 119.070 0.001 0.000 2.865 299 H HA 0.541 5.096 4.556 -0.001 0.000 0.362 299 H C -1.629 173.663 175.328 -0.059 0.000 1.114 299 H CA -0.319 55.726 56.048 -0.005 0.000 1.208 299 H CB 2.199 31.997 29.762 0.061 0.000 1.727 299 H HN 0.799 nan 8.280 nan 0.000 0.534 300 T N 2.241 116.356 114.554 -0.732 0.000 2.900 300 T HA 0.540 4.889 4.350 -0.001 0.000 0.303 300 T C -1.344 172.966 174.700 -0.650 0.000 1.142 300 T CA -0.180 61.572 62.100 -0.579 0.000 1.007 300 T CB 1.337 70.065 68.868 -0.233 0.000 1.156 300 T HN 0.807 nan 8.240 nan 0.000 0.490 301 S N 2.448 117.957 115.700 -0.319 0.000 2.656 301 S HA 0.471 4.940 4.470 -0.001 0.000 0.273 301 S C 0.843 175.491 174.600 0.080 0.000 1.168 301 S CA -0.911 57.219 58.200 -0.117 0.000 0.817 301 S CB 0.599 63.782 63.200 -0.029 0.000 1.146 301 S HN 0.611 nan 8.310 nan 0.000 0.475 302 L N 1.489 122.738 121.223 0.043 0.000 2.261 302 L HA -0.060 4.279 4.340 -0.001 0.000 0.216 302 L C 2.244 179.242 176.870 0.213 0.000 1.114 302 L CA 1.636 56.517 54.840 0.069 0.000 0.777 302 L CB -0.469 41.600 42.059 0.017 0.000 0.910 302 L HN 0.901 nan 8.230 nan 0.000 0.440 303 S N -3.690 112.166 115.700 0.261 0.000 2.540 303 S HA 0.144 4.614 4.470 -0.001 0.000 0.218 303 S C 0.507 175.311 174.600 0.340 0.000 0.977 303 S CA -0.421 57.979 58.200 0.334 0.000 0.918 303 S CB 0.333 63.660 63.200 0.211 0.000 0.806 303 S HN 0.171 nan 8.310 nan 0.000 0.496 304 T N 4.100 118.814 114.554 0.267 0.000 3.050 304 T HA 0.460 4.809 4.350 -0.001 0.000 0.310 304 T C -3.173 171.308 174.700 -0.365 0.000 0.978 304 T CA -1.269 60.779 62.100 -0.087 0.000 1.013 304 T CB 1.947 70.796 68.868 -0.032 0.000 1.000 304 T HN -0.061 nan 8.240 nan 0.000 0.447 305 P HA 0.193 nan 4.420 nan 0.000 0.267 305 P C -2.584 174.428 177.300 -0.481 0.000 1.200 305 P CA -1.260 61.141 63.100 -1.165 0.000 0.772 305 P CB -0.493 30.454 31.700 -1.256 0.000 0.855 306 P HA -0.050 nan 4.420 nan 0.000 0.257 306 P C -0.183 177.080 177.300 -0.061 0.000 1.162 306 P CA 0.948 63.949 63.100 -0.165 0.000 0.762 306 P CB 0.100 31.723 31.700 -0.128 0.000 0.753 307 R N 2.629 123.120 120.500 -0.015 0.000 2.817 307 R HA 0.673 5.012 4.340 -0.001 0.000 0.268 307 R C -1.051 175.243 176.300 -0.010 0.000 1.027 307 R CA -1.099 55.023 56.100 0.036 0.000 0.928 307 R CB 1.048 31.347 30.300 -0.002 0.000 1.228 307 R HN 0.050 nan 8.270 nan 0.000 0.469 308 I N 2.486 122.979 120.570 -0.128 0.000 2.353 308 I HA 0.348 4.517 4.170 -0.001 0.000 0.293 308 I C 0.384 176.403 176.117 -0.164 0.000 0.992 308 I CA -0.794 60.392 61.300 -0.190 0.000 1.268 308 I CB 1.101 38.872 38.000 -0.381 0.000 1.387 308 I HN 0.604 nan 8.210 nan 0.000 0.478 309 V N 2.615 122.472 119.914 -0.096 0.000 2.914 309 V HA 0.703 4.822 4.120 -0.001 0.000 0.314 309 V C -0.126 175.937 176.094 -0.052 0.000 1.084 309 V CA -0.737 61.522 62.300 -0.069 0.000 0.963 309 V CB 1.859 33.655 31.823 -0.045 0.000 1.025 309 V HN 0.739 nan 8.190 nan 0.000 0.432 310 S N 2.820 118.505 115.700 -0.025 0.000 2.562 310 S HA 0.748 5.218 4.470 -0.001 0.000 0.275 310 S C -0.556 174.030 174.600 -0.023 0.000 1.281 310 S CA -0.589 57.619 58.200 0.013 0.000 1.045 310 S CB 0.219 63.447 63.200 0.047 0.000 0.962 310 S HN 0.711 nan 8.310 nan 0.000 0.503 311 L N 5.801 127.010 121.223 -0.023 0.000 2.334 311 L HA 0.519 4.859 4.340 -0.001 0.000 0.273 311 L C -1.532 175.318 176.870 -0.034 0.000 1.013 311 L CA -1.993 52.812 54.840 -0.057 0.000 0.816 311 L CB 2.097 44.102 42.059 -0.091 0.000 1.278 311 L HN 0.562 nan 8.230 nan 0.000 0.431 312 P HA 0.013 nan 4.420 nan 0.000 0.261 312 P C 1.020 178.286 177.300 -0.057 0.000 1.268 312 P CA 0.187 63.249 63.100 -0.064 0.000 0.833 312 P CB 0.486 32.153 31.700 -0.056 0.000 1.231 313 S N -0.404 115.271 115.700 -0.041 0.000 2.423 313 S HA 0.073 4.542 4.470 -0.001 0.000 0.231 313 S C 1.895 176.466 174.600 -0.049 0.000 1.014 313 S CA 1.089 59.268 58.200 -0.035 0.000 0.965 313 S CB -1.580 61.609 63.200 -0.019 0.000 0.785 313 S HN 0.281 nan 8.310 nan 0.000 0.495 314 G N 0.600 109.359 108.800 -0.068 0.000 2.162 314 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.260 314 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.260 314 G C -0.107 174.753 174.900 -0.067 0.000 0.976 314 G CA 0.399 45.442 45.100 -0.095 0.000 0.655 314 G HN 0.770 nan 8.290 nan 0.000 0.533 315 E N 1.997 122.174 120.200 -0.039 0.000 2.376 315 E HA 0.426 4.776 4.350 -0.001 0.000 0.266 315 E C -1.745 174.834 176.600 -0.035 0.000 1.009 315 E CA -1.806 54.579 56.400 -0.025 0.000 0.902 315 E CB 0.643 30.339 29.700 -0.006 0.000 0.972 315 E HN 0.247 nan 8.360 nan 0.000 0.439 316 P HA 0.005 nan 4.420 nan 0.000 0.271 316 P C 0.076 177.317 177.300 -0.098 0.000 1.220 316 P CA 0.288 63.346 63.100 -0.071 0.000 0.768 316 P CB 0.834 32.498 31.700 -0.061 0.000 0.848 317 L N 2.156 123.271 121.223 -0.180 0.000 2.202 317 L HA 0.152 4.491 4.340 -0.001 0.000 0.205 317 L C 0.886 177.487 176.870 -0.449 0.000 1.083 317 L CA 0.891 55.571 54.840 -0.267 0.000 0.790 317 L CB -0.070 41.739 42.059 -0.416 0.000 0.942 317 L HN 0.297 nan 8.230 nan 0.000 0.452 318 L N -0.144 120.770 121.223 -0.515 0.000 2.505 318 L HA 0.472 4.812 4.340 -0.001 0.000 0.266 318 L C -1.177 175.408 176.870 -0.475 0.000 0.954 318 L CA -0.116 54.347 54.840 -0.627 0.000 0.852 318 L CB 1.912 43.349 42.059 -1.037 0.000 1.282 318 L HN -0.002 nan 8.230 nan 0.000 0.403 319 E N 2.533 122.571 120.200 -0.270 0.000 2.354 319 E HA 0.588 4.938 4.350 -0.001 0.000 0.283 319 E C -0.878 175.767 176.600 0.075 0.000 0.938 319 E CA -0.667 55.714 56.400 -0.032 0.000 0.777 319 E CB 1.658 31.316 29.700 -0.069 0.000 1.222 319 E HN 0.850 nan 8.360 nan 0.000 0.423 320 G N 1.484 110.357 108.800 0.122 0.000 2.483 320 G HA2 0.449 4.409 3.960 -0.001 0.000 0.248 320 G HA3 0.449 4.409 3.960 -0.001 0.000 0.248 320 G C 0.218 175.102 174.900 -0.026 0.000 1.248 320 G CA 0.036 45.161 45.100 0.042 0.000 0.838 320 G HN 0.419 nan 8.290 nan 0.000 0.566 321 G N 0.074 108.863 108.800 -0.018 0.000 2.380 321 G HA2 0.483 4.442 3.960 -0.001 0.000 0.262 321 G HA3 0.483 4.442 3.960 -0.001 0.000 0.262 321 G C -0.206 174.677 174.900 -0.028 0.000 1.243 321 G CA -0.434 44.653 45.100 -0.021 0.000 0.865 321 G HN 0.550 nan 8.290 nan 0.000 0.513 322 L N 3.079 124.288 121.223 -0.024 0.000 2.342 322 L HA 0.422 4.761 4.340 -0.001 0.000 0.271 322 L C -1.881 174.995 176.870 0.010 0.000 1.008 322 L CA -1.971 52.867 54.840 -0.003 0.000 0.818 322 L CB 2.351 44.412 42.059 0.002 0.000 1.296 322 L HN 0.369 nan 8.230 nan 0.000 0.427 323 P HA 0.204 nan 4.420 nan 0.000 0.272 323 P C 0.609 177.924 177.300 0.026 0.000 1.230 323 P CA -0.217 62.895 63.100 0.020 0.000 0.788 323 P CB 0.613 32.327 31.700 0.023 0.000 0.949 324 E N 0.932 121.146 120.200 0.023 0.000 2.097 324 E HA -0.285 4.064 4.350 -0.001 0.000 0.196 324 E C 1.622 178.240 176.600 0.031 0.000 1.000 324 E CA 2.056 58.471 56.400 0.025 0.000 0.804 324 E CB -1.189 28.523 29.700 0.021 0.000 0.740 324 E HN 0.627 nan 8.360 nan 0.000 0.454 325 D N -0.182 120.235 120.400 0.029 0.000 2.087 325 D HA -0.122 4.517 4.640 -0.001 0.000 0.192 325 D C 2.061 178.386 176.300 0.041 0.000 0.993 325 D CA 1.513 55.532 54.000 0.031 0.000 0.828 325 D CB -0.357 40.458 40.800 0.025 0.000 0.968 325 D HN 0.347 nan 8.370 nan 0.000 0.448 326 L N 0.880 122.131 121.223 0.047 0.000 2.046 326 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 326 L C 2.251 179.170 176.870 0.081 0.000 1.077 326 L CA 1.494 56.373 54.840 0.064 0.000 0.747 326 L CB -0.681 41.418 42.059 0.067 0.000 0.896 326 L HN -0.120 nan 8.230 nan 0.000 0.432 327 R N 0.447 120.988 120.500 0.069 0.000 2.096 327 R HA -0.168 4.171 4.340 -0.001 0.000 0.240 327 R C 2.502 178.849 176.300 0.078 0.000 1.139 327 R CA 2.187 58.331 56.100 0.073 0.000 0.952 327 R CB -1.074 29.256 30.300 0.049 0.000 0.854 327 R HN 0.494 nan 8.270 nan 0.000 0.436 328 R N 0.308 120.846 120.500 0.063 0.000 2.148 328 R HA -0.046 4.293 4.340 -0.001 0.000 0.227 328 R C 2.278 178.621 176.300 0.071 0.000 1.103 328 R CA 1.793 57.930 56.100 0.062 0.000 0.983 328 R CB -1.471 28.857 30.300 0.046 0.000 0.874 328 R HN 0.656 nan 8.270 nan 0.000 0.451 329 S N -0.125 115.618 115.700 0.072 0.000 2.423 329 S HA 0.082 4.552 4.470 -0.001 0.000 0.231 329 S C 0.935 175.594 174.600 0.097 0.000 1.014 329 S CA 0.687 58.930 58.200 0.072 0.000 0.965 329 S CB -0.237 63.000 63.200 0.062 0.000 0.785 329 S HN 0.505 nan 8.310 nan 0.000 0.495 330 I N 2.142 122.783 120.570 0.118 0.000 2.310 330 I HA 0.471 4.641 4.170 -0.001 0.000 0.287 330 I C 0.080 176.283 176.117 0.143 0.000 1.073 330 I CA -0.388 60.999 61.300 0.144 0.000 1.216 330 I CB 1.081 39.198 38.000 0.195 0.000 1.415 330 I HN 0.274 nan 8.210 nan 0.000 0.480 331 A N 5.556 128.459 122.820 0.139 0.000 3.064 331 A HA 0.742 5.061 4.320 -0.001 0.000 0.339 331 A C 0.482 178.144 177.584 0.129 0.000 1.078 331 A CA -0.237 51.876 52.037 0.126 0.000 0.869 331 A CB -0.035 19.036 19.000 0.119 0.000 1.067 331 A HN 0.915 nan 8.150 nan 0.000 0.480 332 G N 0.613 109.493 108.800 0.134 0.000 3.039 332 G HA2 0.305 4.264 3.960 -0.001 0.000 0.686 332 G HA3 0.305 4.264 3.960 -0.001 0.000 0.686 332 G C -0.297 174.688 174.900 0.141 0.000 1.066 332 G CA -0.255 44.923 45.100 0.129 0.000 0.774 332 G HN 1.966 nan 8.290 nan 0.000 0.591 333 S N 1.569 117.360 115.700 0.152 0.000 2.568 333 S HA 0.962 5.432 4.470 -0.001 0.000 0.302 333 S C -0.060 174.654 174.600 0.188 0.000 1.082 333 S CA -0.168 58.141 58.200 0.182 0.000 1.009 333 S CB 2.464 65.784 63.200 0.199 0.000 1.069 333 S HN 1.698 nan 8.310 nan 0.000 0.500 334 R N 0.387 120.998 120.500 0.184 0.000 2.739 334 R HA 0.694 5.033 4.340 -0.001 0.000 0.271 334 R C -2.065 174.158 176.300 -0.128 0.000 1.010 334 R CA -1.088 55.063 56.100 0.086 0.000 0.897 334 R CB 0.904 31.240 30.300 0.060 0.000 1.236 334 R HN 0.542 nan 8.270 nan 0.000 0.466 335 L N 2.115 123.148 121.223 -0.317 0.000 2.295 335 L HA 0.569 4.909 4.340 -0.001 0.000 0.285 335 L C -0.750 175.837 176.870 -0.472 0.000 1.035 335 L CA -0.492 53.907 54.840 -0.734 0.000 0.806 335 L CB 1.808 43.454 42.059 -0.688 0.000 1.214 335 L HN 0.609 nan 8.230 nan 0.000 0.426 336 V N 1.401 120.941 119.914 -0.624 0.000 2.789 336 V HA 0.610 4.729 4.120 -0.001 0.000 0.311 336 V C -1.361 174.335 176.094 -0.663 0.000 1.073 336 V CA -0.871 61.118 62.300 -0.519 0.000 0.921 336 V CB 1.543 32.976 31.823 -0.649 0.000 1.009 336 V HN 0.814 nan 8.190 nan 0.000 0.426 337 W N 2.795 123.880 121.300 -0.360 0.000 2.311 337 W HA 0.677 5.336 4.660 -0.001 0.000 0.317 337 W C -0.221 176.108 176.519 -0.317 0.000 1.065 337 W CA -0.528 56.626 57.345 -0.320 0.000 1.364 337 W CB 1.643 30.963 29.460 -0.234 0.000 1.233 337 W HN 0.523 nan 8.180 nan 0.000 0.409 338 V N 3.624 123.417 119.914 -0.200 0.000 2.432 338 V HA 0.083 4.203 4.120 -0.001 0.000 0.275 338 V C 0.320 176.420 176.094 0.010 0.000 1.043 338 V CA -0.871 61.321 62.300 -0.180 0.000 0.925 338 V CB 1.143 32.825 31.823 -0.236 0.000 0.985 338 V HN 0.377 nan 8.190 nan 0.000 0.466 339 E N 3.745 123.987 120.200 0.070 0.000 2.366 339 E HA 0.255 4.604 4.350 -0.001 0.000 0.266 339 E C 0.167 176.834 176.600 0.111 0.000 1.015 339 E CA 0.429 56.879 56.400 0.083 0.000 0.906 339 E CB 0.924 30.679 29.700 0.091 0.000 0.979 339 E HN 0.743 nan 8.360 nan 0.000 0.443 340 S N 3.211 118.968 115.700 0.096 0.000 2.667 340 S HA 0.591 5.060 4.470 -0.001 0.000 0.292 340 S C -0.613 174.051 174.600 0.108 0.000 1.108 340 S CA -0.759 57.530 58.200 0.147 0.000 0.992 340 S CB 0.082 63.371 63.200 0.147 0.000 1.269 340 S HN 0.460 nan 8.310 nan 0.000 0.528 341 F N 0.449 120.459 119.950 0.099 0.000 2.375 341 F HA 0.524 5.051 4.527 -0.001 0.000 0.313 341 F C 0.804 176.651 175.800 0.078 0.000 1.176 341 F CA -0.554 57.492 58.000 0.075 0.000 1.142 341 F CB -0.212 38.825 39.000 0.062 0.000 1.275 341 F HN 0.574 nan 8.300 nan 0.000 0.544 342 D N 0.015 120.472 120.400 0.096 0.000 3.041 342 D HA -0.211 4.428 4.640 -0.001 0.000 0.214 342 D C 1.344 177.609 176.300 -0.057 0.000 1.153 342 D CA 2.069 56.071 54.000 0.002 0.000 0.972 342 D CB -1.454 39.340 40.800 -0.010 0.000 1.126 342 D HN 1.460 nan 8.370 nan 0.000 0.400 343 G N -1.341 107.419 108.800 -0.067 0.000 2.176 343 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.232 343 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.232 343 G C 0.345 175.204 174.900 -0.067 0.000 0.986 343 G CA 0.881 45.954 45.100 -0.045 0.000 0.643 343 G HN 1.171 nan 8.290 nan 0.000 0.522 344 S N -0.174 115.462 115.700 -0.106 0.000 2.584 344 S HA 0.710 5.180 4.470 -0.001 0.000 0.270 344 S C 0.266 174.851 174.600 -0.026 0.000 1.346 344 S CA -0.020 58.147 58.200 -0.055 0.000 1.018 344 S CB 1.647 64.849 63.200 0.004 0.000 0.899 344 S HN 0.586 nan 8.310 nan 0.000 0.542 345 R N 0.424 120.902 120.500 -0.036 0.000 2.686 345 R HA 0.581 4.920 4.340 -0.001 0.000 0.283 345 R C -1.690 174.609 176.300 -0.002 0.000 0.978 345 R CA -0.837 55.283 56.100 0.035 0.000 0.897 345 R CB 2.250 32.596 30.300 0.078 0.000 1.192 345 R HN 0.549 nan 8.270 nan 0.000 0.457 346 V N 4.320 124.235 119.914 0.002 0.000 2.347 346 V HA 0.307 4.427 4.120 -0.001 0.000 0.280 346 V C -2.129 173.713 176.094 -0.420 0.000 1.021 346 V CA -2.061 60.181 62.300 -0.096 0.000 0.847 346 V CB 1.482 33.368 31.823 0.104 0.000 0.990 346 V HN 0.630 nan 8.190 nan 0.000 0.444 347 P HA 0.313 nan 4.420 nan 0.000 0.282 347 P C -0.457 176.365 177.300 -0.798 0.000 1.262 347 P CA -0.002 62.260 63.100 -1.398 0.000 0.773 347 P CB 0.809 31.264 31.700 -2.074 0.000 0.879 348 T N 3.631 117.734 114.554 -0.752 0.000 2.937 348 T HA 0.331 4.680 4.350 -0.001 0.000 0.297 348 T C -0.649 173.746 174.700 -0.508 0.000 0.991 348 T CA -0.179 61.647 62.100 -0.456 0.000 0.990 348 T CB 0.366 68.975 68.868 -0.432 0.000 0.991 348 T HN 0.123 nan 8.240 nan 0.000 0.440 349 Y N 1.562 121.763 120.300 -0.166 0.000 2.304 349 Y HA 0.537 5.086 4.550 -0.001 0.000 0.327 349 Y C 0.296 176.175 175.900 -0.036 0.000 1.209 349 Y CA -0.383 57.660 58.100 -0.094 0.000 1.299 349 Y CB 1.046 39.483 38.460 -0.038 0.000 1.249 349 Y HN 0.299 nan 8.280 nan 0.000 0.519 350 V N 4.794 124.790 119.914 0.136 0.000 2.525 350 V HA 0.271 4.391 4.120 -0.001 0.000 0.299 350 V C -1.200 175.005 176.094 0.186 0.000 1.034 350 V CA -0.821 61.575 62.300 0.159 0.000 0.863 350 V CB 1.713 33.630 31.823 0.157 0.000 0.999 350 V HN 0.457 nan 8.190 nan 0.000 0.423 351 L N 4.826 126.161 121.223 0.187 0.000 2.280 351 L HA 0.579 4.918 4.340 -0.001 0.000 0.287 351 L C 0.132 177.129 176.870 0.212 0.000 1.023 351 L CA 0.270 55.215 54.840 0.175 0.000 0.819 351 L CB 1.240 43.381 42.059 0.136 0.000 1.212 351 L HN 0.662 nan 8.230 nan 0.000 0.420 352 E N 2.527 122.845 120.200 0.197 0.000 2.283 352 E HA 0.232 4.582 4.350 -0.001 0.000 0.278 352 E C -0.676 176.113 176.600 0.315 0.000 1.027 352 E CA -0.368 56.188 56.400 0.260 0.000 0.843 352 E CB 1.374 31.142 29.700 0.113 0.000 1.062 352 E HN 0.609 nan 8.360 nan 0.000 0.401 353 S N 1.319 117.305 115.700 0.476 0.000 2.537 353 S HA 0.275 4.744 4.470 -0.001 0.000 0.275 353 S C 1.032 175.734 174.600 0.170 0.000 1.272 353 S CA -0.404 57.914 58.200 0.197 0.000 1.050 353 S CB 1.059 64.257 63.200 -0.003 0.000 0.961 353 S HN 0.649 nan 8.310 nan 0.000 0.496 354 G N 3.462 112.327 108.800 0.109 0.000 2.744 354 G HA2 0.017 3.977 3.960 -0.001 0.000 0.211 354 G HA3 0.017 3.977 3.960 -0.001 0.000 0.211 354 G C 1.040 175.963 174.900 0.038 0.000 1.143 354 G CA -0.095 45.054 45.100 0.082 0.000 0.788 354 G HN 0.735 nan 8.290 nan 0.000 0.534 355 R N -0.212 120.288 120.500 -0.000 0.000 2.468 355 R HA 0.482 4.821 4.340 -0.001 0.000 0.280 355 R C 0.245 176.477 176.300 -0.115 0.000 0.963 355 R CA -0.016 56.054 56.100 -0.049 0.000 1.083 355 R CB 0.832 31.098 30.300 -0.056 0.000 1.200 355 R HN 0.228 nan 8.270 nan 0.000 0.541 356 A N 1.762 124.504 122.820 -0.130 0.000 2.365 356 A HA 0.631 4.951 4.320 -0.001 0.000 0.318 356 A C -2.483 175.082 177.584 -0.032 0.000 1.091 356 A CA -1.721 50.187 52.037 -0.216 0.000 0.763 356 A CB 1.116 19.747 19.000 -0.615 0.000 1.248 356 A HN -0.095 nan 8.150 nan 0.000 0.442 357 P HA 0.444 nan 4.420 nan 0.000 0.277 357 P C -0.545 176.866 177.300 0.184 0.000 1.271 357 P CA -0.072 63.070 63.100 0.069 0.000 0.795 357 P CB 0.744 32.458 31.700 0.022 0.000 1.101 358 T N 1.502 116.132 114.554 0.127 0.000 2.864 358 T HA 0.416 4.766 4.350 -0.001 0.000 0.299 358 T C -2.322 172.399 174.700 0.036 0.000 1.011 358 T CA -0.901 61.258 62.100 0.099 0.000 0.975 358 T CB 0.445 69.330 68.868 0.030 0.000 0.962 358 T HN 0.367 nan 8.240 nan 0.000 0.448 359 P HA 0.606 nan 4.420 nan 0.000 0.275 359 P C -0.062 177.294 177.300 0.094 0.000 1.228 359 P CA -0.239 62.889 63.100 0.045 0.000 0.786 359 P CB 0.970 32.672 31.700 0.003 0.000 0.927 360 G N 1.221 110.125 108.800 0.174 0.000 2.727 360 G HA2 0.572 4.531 3.960 -0.001 0.000 0.289 360 G HA3 0.572 4.531 3.960 -0.001 0.000 0.289 360 G C -3.303 171.675 174.900 0.129 0.000 1.418 360 G CA -1.535 43.630 45.100 0.108 0.000 0.818 360 G HN 0.204 nan 8.290 nan 0.000 0.486 361 P HA 0.324 nan 4.420 nan 0.000 0.267 361 P C -0.501 177.015 177.300 0.360 0.000 1.205 361 P CA 0.387 63.617 63.100 0.217 0.000 0.765 361 P CB 1.063 32.806 31.700 0.071 0.000 0.828 362 T N 2.446 117.296 114.554 0.494 0.000 2.921 362 T HA 0.370 4.720 4.350 -0.001 0.000 0.297 362 T C -0.632 174.355 174.700 0.478 0.000 1.013 362 T CA -0.425 61.950 62.100 0.458 0.000 0.990 362 T CB 1.076 70.156 68.868 0.353 0.000 1.023 362 T HN -0.064 nan 8.240 nan 0.000 0.447 363 V N 3.481 123.616 119.914 0.369 0.000 2.398 363 V HA 0.363 4.482 4.120 -0.001 0.000 0.286 363 V C 0.108 176.321 176.094 0.198 0.000 1.026 363 V CA -0.800 61.639 62.300 0.232 0.000 0.868 363 V CB 1.719 33.558 31.823 0.025 0.000 0.982 363 V HN 0.733 nan 8.190 nan 0.000 0.443 364 V N 6.595 126.611 119.914 0.171 0.000 2.372 364 V HA 0.201 4.320 4.120 -0.001 0.000 0.261 364 V C -0.024 176.092 176.094 0.036 0.000 1.055 364 V CA -0.154 62.234 62.300 0.146 0.000 0.930 364 V CB 0.970 32.921 31.823 0.213 0.000 1.031 364 V HN 0.632 nan 8.190 nan 0.000 0.479 365 L N 7.881 129.146 121.223 0.070 0.000 2.270 365 L HA 0.466 4.806 4.340 -0.001 0.000 0.286 365 L C -0.130 176.776 176.870 0.060 0.000 1.059 365 L CA 0.343 55.204 54.840 0.035 0.000 0.839 365 L CB 1.182 43.275 42.059 0.056 0.000 1.221 365 L HN 0.398 nan 8.230 nan 0.000 0.431 366 V N 5.190 125.118 119.914 0.023 0.000 2.406 366 V HA 0.236 4.355 4.120 -0.001 0.000 0.272 366 V C 0.062 176.227 176.094 0.118 0.000 1.043 366 V CA -0.702 61.639 62.300 0.068 0.000 0.915 366 V CB 0.521 32.335 31.823 -0.014 0.000 0.988 366 V HN 0.918 nan 8.190 nan 0.000 0.466 367 H N 2.836 122.052 119.070 0.244 0.000 2.771 367 H HA 0.580 5.136 4.556 -0.001 0.000 0.364 367 H C 0.628 176.110 175.328 0.256 0.000 1.133 367 H CA 0.197 56.344 56.048 0.165 0.000 1.423 367 H CB 0.517 30.329 29.762 0.083 0.000 1.425 367 H HN 0.654 nan 8.280 nan 0.000 0.606 368 G N -0.035 108.980 108.800 0.358 0.000 2.494 368 G HA2 0.474 4.433 3.960 -0.001 0.000 0.270 368 G HA3 0.474 4.433 3.960 -0.001 0.000 0.270 368 G C 0.574 175.693 174.900 0.365 0.000 1.423 368 G CA -0.333 44.961 45.100 0.323 0.000 1.055 368 G HN 1.322 nan 8.290 nan 0.000 0.536 369 G N -0.765 108.133 108.800 0.163 0.000 2.591 369 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.226 369 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.226 369 G C -1.163 173.592 174.900 -0.243 0.000 1.598 369 G CA 0.616 45.707 45.100 -0.014 0.000 1.349 369 G HN 0.771 nan 8.290 nan 0.000 0.493 370 P HA 0.197 nan 4.420 nan 0.000 0.236 370 P C 0.504 177.755 177.300 -0.082 0.000 1.177 370 P CA 0.448 63.361 63.100 -0.311 0.000 0.773 370 P CB -0.228 31.014 31.700 -0.764 0.000 0.878 371 F N 1.195 121.157 119.950 0.019 0.000 2.661 371 F HA 0.460 4.986 4.527 -0.001 0.000 0.356 371 F C 1.150 176.927 175.800 -0.038 0.000 1.244 371 F CA -0.748 57.255 58.000 0.007 0.000 1.290 371 F CB -0.150 38.861 39.000 0.019 0.000 1.677 371 F HN 0.001 nan 8.300 nan 0.000 0.649 372 A N 1.534 124.371 122.820 0.028 0.000 2.588 372 A HA 0.698 5.018 4.320 -0.001 0.000 0.290 372 A C -1.382 175.920 177.584 -0.469 0.000 1.136 372 A CA -0.778 51.159 52.037 -0.167 0.000 0.681 372 A CB 1.954 20.855 19.000 -0.164 0.000 1.282 372 A HN 0.414 nan 8.150 nan 0.000 0.421 373 E N 0.505 120.462 120.200 -0.405 0.000 2.256 373 E HA 0.412 4.761 4.350 -0.001 0.000 0.268 373 E C -1.637 174.808 176.600 -0.258 0.000 0.877 373 E CA -0.614 55.611 56.400 -0.291 0.000 0.757 373 E CB 1.456 31.111 29.700 -0.074 0.000 1.183 373 E HN 0.515 nan 8.360 nan 0.000 0.418 374 D N 2.805 123.127 120.400 -0.129 0.000 2.380 374 D HA 0.161 4.801 4.640 -0.001 0.000 0.230 374 D C -0.354 175.947 176.300 0.002 0.000 1.154 374 D CA 0.194 54.195 54.000 0.001 0.000 0.859 374 D CB 1.236 42.129 40.800 0.154 0.000 1.045 374 D HN 0.410 nan 8.370 nan 0.000 0.495 375 S N 1.159 116.754 115.700 -0.175 0.000 2.766 375 S HA 0.322 4.791 4.470 -0.001 0.000 0.307 375 S C -0.032 174.133 174.600 -0.725 0.000 1.121 375 S CA -0.951 57.016 58.200 -0.389 0.000 0.980 375 S CB 1.904 64.975 63.200 -0.215 0.000 1.159 375 S HN 0.135 nan 8.310 nan 0.000 0.546 376 D N 1.017 120.885 120.400 -0.886 0.000 2.608 376 D HA 0.436 5.075 4.640 -0.001 0.000 0.224 376 D C -0.888 175.239 176.300 -0.288 0.000 1.123 376 D CA 0.143 53.765 54.000 -0.630 0.000 1.030 376 D CB -0.799 39.736 40.800 -0.443 0.000 1.093 376 D HN 0.440 nan 8.370 nan 0.000 0.497 377 S N 1.935 117.501 115.700 -0.223 0.000 2.546 377 S HA 0.226 4.695 4.470 -0.001 0.000 0.274 377 S C -0.798 173.788 174.600 -0.023 0.000 1.121 377 S CA -0.979 57.151 58.200 -0.116 0.000 0.887 377 S CB 1.325 64.453 63.200 -0.120 0.000 1.094 377 S HN 0.402 nan 8.310 nan 0.000 0.474 378 W N 3.549 124.758 121.300 -0.152 0.000 2.443 378 W HA 0.092 4.752 4.660 -0.001 0.000 0.335 378 W C -0.981 175.499 176.519 -0.066 0.000 1.382 378 W CA 0.885 58.168 57.345 -0.104 0.000 1.305 378 W CB 0.173 29.564 29.460 -0.115 0.000 1.283 378 W HN 0.670 nan 8.180 nan 0.000 0.567 379 D N 4.545 124.545 120.400 -0.667 0.000 2.549 379 D HA 0.178 4.817 4.640 -0.001 0.000 0.251 379 D C 0.963 176.801 176.300 -0.770 0.000 1.153 379 D CA -0.366 53.332 54.000 -0.504 0.000 0.861 379 D CB 1.731 42.401 40.800 -0.218 0.000 1.207 379 D HN 0.262 nan 8.370 nan 0.000 0.543 380 T N 2.649 116.853 114.554 -0.583 0.000 2.699 380 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 380 T C 1.520 175.987 174.700 -0.389 0.000 1.036 380 T CA 1.313 63.129 62.100 -0.473 0.000 1.147 380 T CB -0.332 68.347 68.868 -0.316 0.000 0.862 380 T HN 0.431 nan 8.240 nan 0.000 0.446 381 F N 1.629 121.434 119.950 -0.242 0.000 2.075 381 F HA 0.002 4.529 4.527 -0.001 0.000 0.297 381 F C 2.755 178.469 175.800 -0.143 0.000 1.113 381 F CA 0.999 58.908 58.000 -0.151 0.000 1.218 381 F CB -1.007 37.938 39.000 -0.091 0.000 0.984 381 F HN 0.112 nan 8.300 nan 0.000 0.472 382 A N 0.087 122.925 122.820 0.030 0.000 1.908 382 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 382 A C 2.380 179.910 177.584 -0.090 0.000 1.181 382 A CA 1.949 53.972 52.037 -0.023 0.000 0.627 382 A CB -1.384 17.589 19.000 -0.046 0.000 0.818 382 A HN 0.342 nan 8.150 nan 0.000 0.445 383 A N -0.699 121.954 122.820 -0.279 0.000 1.902 383 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 383 A C 2.449 179.982 177.584 -0.085 0.000 1.181 383 A CA 2.085 53.959 52.037 -0.272 0.000 0.623 383 A CB -0.812 17.788 19.000 -0.667 0.000 0.818 383 A HN 0.460 nan 8.150 nan 0.000 0.443 384 S N -0.124 115.519 115.700 -0.094 0.000 2.368 384 S HA -0.065 4.405 4.470 -0.001 0.000 0.224 384 S C 1.836 176.466 174.600 0.051 0.000 1.029 384 S CA 1.354 59.536 58.200 -0.030 0.000 0.988 384 S CB -0.456 62.688 63.200 -0.094 0.000 0.838 384 S HN 0.509 nan 8.310 nan 0.000 0.462 385 L N 1.212 122.474 121.223 0.065 0.000 2.012 385 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 385 L C 2.822 179.832 176.870 0.234 0.000 1.073 385 L CA 1.320 56.251 54.840 0.152 0.000 0.748 385 L CB -0.744 41.366 42.059 0.086 0.000 0.891 385 L HN 0.326 nan 8.230 nan 0.000 0.431 386 A N 0.004 122.910 122.820 0.143 0.000 1.902 386 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 386 A C 2.507 180.146 177.584 0.092 0.000 1.181 386 A CA 1.732 53.844 52.037 0.126 0.000 0.623 386 A CB -0.728 18.340 19.000 0.113 0.000 0.818 386 A HN 0.411 nan 8.150 nan 0.000 0.443 387 A N -0.523 122.349 122.820 0.086 0.000 2.019 387 A HA 0.243 4.562 4.320 -0.001 0.000 0.219 387 A C 2.183 179.804 177.584 0.061 0.000 1.164 387 A CA 1.730 53.809 52.037 0.071 0.000 0.644 387 A CB -0.628 18.416 19.000 0.073 0.000 0.805 387 A HN 1.089 nan 8.150 nan 0.000 0.449 388 A N -1.860 121.024 122.820 0.107 0.000 2.275 388 A HA 0.445 4.764 4.320 -0.001 0.000 0.212 388 A C 1.504 179.053 177.584 -0.059 0.000 1.201 388 A CA 1.022 53.124 52.037 0.109 0.000 0.843 388 A CB -0.726 18.433 19.000 0.265 0.000 0.873 388 A HN 1.841 nan 8.150 nan 0.000 0.492 389 G N -1.583 107.152 108.800 -0.109 0.000 2.141 389 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.195 389 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.195 389 G C -0.313 174.242 174.900 -0.575 0.000 1.012 389 G CA -0.137 44.763 45.100 -0.333 0.000 0.696 389 G HN 0.329 nan 8.290 nan 0.000 0.508 390 F N 1.310 121.203 119.950 -0.096 0.000 2.507 390 F HA 0.576 5.103 4.527 -0.001 0.000 0.325 390 F C 0.798 176.569 175.800 -0.049 0.000 1.116 390 F CA -1.209 56.744 58.000 -0.079 0.000 0.930 390 F CB 1.226 40.231 39.000 0.009 0.000 1.146 390 F HN 0.056 nan 8.300 nan 0.000 0.447 391 H N 1.795 121.024 119.070 0.264 0.000 2.690 391 H HA 0.453 5.008 4.556 -0.001 0.000 0.365 391 H C -0.443 175.030 175.328 0.242 0.000 1.142 391 H CA -0.158 56.017 56.048 0.213 0.000 1.417 391 H CB 1.357 31.227 29.762 0.179 0.000 1.446 391 H HN 0.280 nan 8.280 nan 0.000 0.599 392 V N 2.974 123.088 119.914 0.333 0.000 2.588 392 V HA 0.243 4.363 4.120 -0.001 0.000 0.304 392 V C -0.077 176.159 176.094 0.236 0.000 1.042 392 V CA -0.784 61.664 62.300 0.247 0.000 0.877 392 V CB 2.098 34.026 31.823 0.174 0.000 0.996 392 V HN 0.428 nan 8.190 nan 0.000 0.425 393 V N 5.848 125.898 119.914 0.227 0.000 2.487 393 V HA 0.535 4.655 4.120 -0.001 0.000 0.298 393 V C -0.265 175.930 176.094 0.169 0.000 1.028 393 V CA -0.378 62.051 62.300 0.215 0.000 0.860 393 V CB 1.757 33.752 31.823 0.286 0.000 0.991 393 V HN 0.907 nan 8.190 nan 0.000 0.427 394 M N 7.958 127.644 119.600 0.143 0.000 1.998 394 M HA 0.366 4.845 4.480 -0.001 0.000 0.289 394 M C -2.850 173.531 176.300 0.135 0.000 0.886 394 M CA -1.397 53.995 55.300 0.154 0.000 0.853 394 M CB 2.133 34.833 32.600 0.167 0.000 1.462 394 M HN 0.345 nan 8.290 nan 0.000 0.375 395 P HA 0.166 nan 4.420 nan 0.000 0.292 395 P C -1.009 176.382 177.300 0.150 0.000 1.287 395 P CA -0.353 62.809 63.100 0.103 0.000 0.800 395 P CB 0.791 32.584 31.700 0.156 0.000 0.945 396 N N 3.365 122.101 118.700 0.059 0.000 3.124 396 N HA 0.050 4.790 4.740 -0.001 0.000 0.284 396 N C 0.197 175.851 175.510 0.240 0.000 1.209 396 N CA -0.104 53.003 53.050 0.095 0.000 1.149 396 N CB -0.463 38.011 38.487 -0.022 0.000 1.434 396 N HN 0.462 nan 8.380 nan 0.000 0.529 397 Y N 0.149 120.605 120.300 0.261 0.000 2.652 397 Y HA 0.014 4.563 4.550 -0.001 0.000 0.344 397 Y C 1.166 177.081 175.900 0.024 0.000 1.254 397 Y CA -1.281 56.929 58.100 0.183 0.000 1.480 397 Y CB 0.286 38.787 38.460 0.068 0.000 1.345 397 Y HN 0.261 nan 8.280 nan 0.000 0.617 398 R N 1.418 121.760 120.500 -0.263 0.000 2.583 398 R HA 0.345 4.684 4.340 -0.001 0.000 0.274 398 R C 0.833 176.942 176.300 -0.317 0.000 0.998 398 R CA 0.596 56.014 56.100 -1.137 0.000 1.081 398 R CB -0.315 29.230 30.300 -1.258 0.000 0.940 398 R HN 1.391 nan 8.270 nan 0.000 0.413 399 G N 1.716 110.338 108.800 -0.297 0.000 2.284 399 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.216 399 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.216 399 G C -0.073 174.927 174.900 0.166 0.000 1.009 399 G CA 0.083 45.231 45.100 0.081 0.000 0.625 399 G HN 0.683 nan 8.290 nan 0.000 0.501 400 S N 1.811 117.528 115.700 0.028 0.000 2.573 400 S HA 0.491 4.960 4.470 -0.001 0.000 0.277 400 S C 0.974 175.730 174.600 0.260 0.000 1.346 400 S CA 0.646 58.927 58.200 0.135 0.000 1.034 400 S CB 1.035 64.359 63.200 0.207 0.000 0.879 400 S HN 1.209 nan 8.310 nan 0.000 0.528 401 T N -1.001 113.662 114.554 0.181 0.000 2.824 401 T HA 0.637 4.987 4.350 -0.001 0.000 0.277 401 T C 1.227 176.040 174.700 0.189 0.000 0.975 401 T CA -0.107 62.092 62.100 0.165 0.000 0.966 401 T CB 0.936 69.851 68.868 0.078 0.000 1.054 401 T HN 1.218 nan 8.240 nan 0.000 0.533 402 G N -0.280 108.562 108.800 0.069 0.000 2.194 402 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.236 402 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.236 402 G C 0.111 174.715 174.900 -0.494 0.000 0.987 402 G CA 0.170 45.169 45.100 -0.168 0.000 0.635 402 G HN 0.784 nan 8.290 nan 0.000 0.520 403 Y N 0.862 121.218 120.300 0.094 0.000 2.721 403 Y HA 0.499 5.049 4.550 -0.001 0.000 0.251 403 Y C 1.223 177.183 175.900 0.100 0.000 1.136 403 Y CA 0.200 58.335 58.100 0.059 0.000 1.142 403 Y CB 1.026 39.447 38.460 -0.065 0.000 1.212 403 Y HN 1.228 nan 8.280 nan 0.000 0.565 404 G N 0.561 109.447 108.800 0.142 0.000 2.690 404 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.686 404 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.686 404 G C 0.193 175.186 174.900 0.155 0.000 1.277 404 G CA -0.171 45.002 45.100 0.121 0.000 0.799 404 G HN 0.212 nan 8.290 nan 0.000 0.613 405 E N -0.079 120.172 120.200 0.085 0.000 2.110 405 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 405 E C 2.207 178.862 176.600 0.090 0.000 0.988 405 E CA 2.118 58.553 56.400 0.058 0.000 0.804 405 E CB -0.133 29.574 29.700 0.010 0.000 0.745 405 E HN 0.695 nan 8.360 nan 0.000 0.458 406 E N -0.362 119.908 120.200 0.118 0.000 2.070 406 E HA -0.234 4.115 4.350 -0.001 0.000 0.197 406 E C 1.895 178.621 176.600 0.209 0.000 1.004 406 E CA 1.382 57.863 56.400 0.135 0.000 0.805 406 E CB -0.510 29.269 29.700 0.133 0.000 0.744 406 E HN 0.565 nan 8.360 nan 0.000 0.451 407 W N 1.713 123.055 121.300 0.070 0.000 2.381 407 W HA -0.173 4.487 4.660 -0.001 0.000 0.301 407 W C 2.355 178.941 176.519 0.112 0.000 1.205 407 W CA 1.415 58.818 57.345 0.096 0.000 1.285 407 W CB -0.208 29.331 29.460 0.132 0.000 1.133 407 W HN 0.098 nan 8.180 nan 0.000 0.521 408 R N 0.565 121.162 120.500 0.161 0.000 2.083 408 R HA -0.198 4.141 4.340 -0.001 0.000 0.237 408 R C 2.393 178.707 176.300 0.023 0.000 1.137 408 R CA 1.828 57.970 56.100 0.069 0.000 0.951 408 R CB -0.793 29.532 30.300 0.043 0.000 0.851 408 R HN 0.249 nan 8.270 nan 0.000 0.434 409 L N 0.511 121.736 121.223 0.002 0.000 2.376 409 L HA -0.084 4.256 4.340 -0.001 0.000 0.219 409 L C 2.155 179.023 176.870 -0.003 0.000 1.133 409 L CA 0.950 55.785 54.840 -0.007 0.000 0.816 409 L CB -0.136 41.916 42.059 -0.011 0.000 0.933 409 L HN 0.154 nan 8.230 nan 0.000 0.449 410 K N 0.160 120.534 120.400 -0.044 0.000 2.209 410 K HA -0.166 4.154 4.320 -0.001 0.000 0.204 410 K C 2.009 178.582 176.600 -0.046 0.000 1.048 410 K CA 1.128 57.376 56.287 -0.066 0.000 0.940 410 K CB -0.066 32.331 32.500 -0.171 0.000 0.729 410 K HN 0.298 nan 8.250 nan 0.000 0.451 411 I N 1.151 121.705 120.570 -0.026 0.000 2.676 411 I HA -0.114 4.056 4.170 -0.001 0.000 0.259 411 I C 0.041 176.165 176.117 0.011 0.000 1.194 411 I CA 0.289 61.599 61.300 0.018 0.000 1.473 411 I CB 0.319 38.355 38.000 0.060 0.000 1.096 411 I HN -0.015 nan 8.210 nan 0.000 0.443 412 I N 2.201 122.781 120.570 0.017 0.000 2.587 412 I HA 0.068 4.238 4.170 -0.001 0.000 0.284 412 I C 1.464 177.554 176.117 -0.046 0.000 1.134 412 I CA 1.112 62.399 61.300 -0.023 0.000 1.410 412 I CB -0.464 37.531 38.000 -0.007 0.000 1.392 412 I HN 0.481 nan 8.210 nan 0.000 0.545 413 G N 5.620 114.367 108.800 -0.089 0.000 2.194 413 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.236 413 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.236 413 G C 0.286 175.156 174.900 -0.051 0.000 0.987 413 G CA 0.230 45.286 45.100 -0.073 0.000 0.635 413 G HN 0.566 nan 8.290 nan 0.000 0.520 414 D N 0.841 121.220 120.400 -0.035 0.000 2.992 414 D HA 0.337 4.977 4.640 -0.001 0.000 0.372 414 D C -2.225 174.109 176.300 0.057 0.000 1.374 414 D CA -1.097 52.909 54.000 0.011 0.000 0.769 414 D CB 1.134 41.951 40.800 0.028 0.000 1.215 414 D HN 0.302 nan 8.370 nan 0.000 0.473 415 P HA 0.070 nan 4.420 nan 0.000 0.271 415 P C 0.325 177.797 177.300 0.287 0.000 1.218 415 P CA -0.098 63.146 63.100 0.240 0.000 0.780 415 P CB 1.274 33.065 31.700 0.151 0.000 0.901 416 C N 2.218 121.706 119.300 0.313 0.000 4.056 416 C HA -0.083 4.376 4.460 -0.001 0.000 0.302 416 C C 1.165 176.183 174.990 0.047 0.000 1.356 416 C CA 1.022 60.103 59.018 0.105 0.000 2.074 416 C CB -2.247 25.551 27.740 0.096 0.000 1.328 416 C HN 0.880 nan 8.230 nan 0.000 0.684 417 G N -0.042 108.788 108.800 0.050 0.000 3.420 417 G HA2 0.525 4.485 3.960 -0.001 0.000 0.183 417 G HA3 0.525 4.485 3.960 -0.001 0.000 0.183 417 G C 1.116 176.022 174.900 0.011 0.000 1.315 417 G CA 0.686 45.791 45.100 0.010 0.000 0.958 417 G HN 1.096 nan 8.290 nan 0.000 0.745 418 G N 0.870 109.715 108.800 0.074 0.000 2.469 418 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 418 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 418 G C 1.543 176.569 174.900 0.210 0.000 1.150 418 G CA 1.949 47.183 45.100 0.224 0.000 0.763 418 G HN 0.609 nan 8.290 nan 0.000 0.561 419 E N 0.809 121.083 120.200 0.123 0.000 2.106 419 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 419 E C 2.440 179.069 176.600 0.047 0.000 0.984 419 E CA 1.053 57.519 56.400 0.110 0.000 0.806 419 E CB -0.753 29.012 29.700 0.108 0.000 0.750 419 E HN 0.366 nan 8.360 nan 0.000 0.458 420 L N 1.609 122.839 121.223 0.011 0.000 2.083 420 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 420 L C 2.241 179.136 176.870 0.043 0.000 1.083 420 L CA 1.794 56.622 54.840 -0.021 0.000 0.752 420 L CB -0.404 41.618 42.059 -0.062 0.000 0.899 420 L HN -0.058 nan 8.230 nan 0.000 0.433 421 E N 0.030 120.272 120.200 0.069 0.000 2.077 421 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 421 E C 1.881 178.618 176.600 0.227 0.000 0.989 421 E CA 1.411 57.881 56.400 0.117 0.000 0.800 421 E CB -0.399 29.336 29.700 0.059 0.000 0.746 421 E HN 0.596 nan 8.360 nan 0.000 0.452 422 D N 0.383 120.944 120.400 0.269 0.000 2.117 422 D HA -0.110 4.529 4.640 -0.001 0.000 0.197 422 D C 2.168 178.601 176.300 0.223 0.000 0.987 422 D CA 0.701 54.866 54.000 0.275 0.000 0.829 422 D CB -0.287 40.709 40.800 0.327 0.000 0.961 422 D HN 0.017 nan 8.370 nan 0.000 0.460 423 V N 1.011 121.037 119.914 0.186 0.000 2.343 423 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 423 V C 2.485 178.708 176.094 0.214 0.000 1.051 423 V CA 1.743 64.153 62.300 0.184 0.000 1.036 423 V CB -0.516 31.371 31.823 0.106 0.000 0.654 423 V HN 0.144 nan 8.190 nan 0.000 0.451 424 S N 0.240 116.037 115.700 0.162 0.000 2.382 424 S HA -0.150 4.319 4.470 -0.001 0.000 0.228 424 S C 2.223 176.883 174.600 0.100 0.000 1.027 424 S CA 1.309 59.567 58.200 0.096 0.000 0.991 424 S CB -0.492 62.732 63.200 0.040 0.000 0.823 424 S HN 0.655 nan 8.310 nan 0.000 0.469 425 A N 1.736 124.646 122.820 0.149 0.000 1.908 425 A HA 0.062 4.381 4.320 -0.001 0.000 0.218 425 A C 2.372 180.079 177.584 0.205 0.000 1.181 425 A CA 1.738 53.877 52.037 0.171 0.000 0.627 425 A CB -1.105 18.012 19.000 0.195 0.000 0.818 425 A HN 0.525 nan 8.150 nan 0.000 0.445 426 A N -0.297 122.645 122.820 0.203 0.000 1.933 426 A HA 0.179 4.498 4.320 -0.001 0.000 0.218 426 A C 2.469 180.250 177.584 0.329 0.000 1.175 426 A CA 2.020 54.203 52.037 0.243 0.000 0.628 426 A CB -0.888 18.223 19.000 0.184 0.000 0.814 426 A HN 1.012 nan 8.150 nan 0.000 0.444 427 A N -0.147 122.817 122.820 0.241 0.000 1.873 427 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 427 A C 2.251 179.886 177.584 0.085 0.000 1.186 427 A CA 1.358 53.493 52.037 0.164 0.000 0.616 427 A CB -0.448 18.526 19.000 -0.044 0.000 0.823 427 A HN 0.529 nan 8.150 nan 0.000 0.442 428 R N -2.015 118.526 120.500 0.068 0.000 2.081 428 R HA -0.208 4.131 4.340 -0.001 0.000 0.235 428 R C 2.064 178.424 176.300 0.100 0.000 1.131 428 R CA 1.637 57.765 56.100 0.046 0.000 0.960 428 R CB -0.476 29.848 30.300 0.040 0.000 0.856 428 R HN 0.796 nan 8.270 nan 0.000 0.436 429 W N 1.661 122.974 121.300 0.022 0.000 2.335 429 W HA -0.241 4.418 4.660 -0.001 0.000 0.311 429 W C 2.252 178.786 176.519 0.025 0.000 1.213 429 W CA 1.956 59.317 57.345 0.026 0.000 1.274 429 W CB -0.320 29.160 29.460 0.035 0.000 1.148 429 W HN 0.106 nan 8.180 nan 0.000 0.498 430 A N 0.741 123.619 122.820 0.097 0.000 1.917 430 A HA -0.256 4.064 4.320 -0.001 0.000 0.219 430 A C 2.121 179.524 177.584 -0.302 0.000 1.182 430 A CA 2.124 54.040 52.037 -0.201 0.000 0.633 430 A CB -1.031 18.066 19.000 0.162 0.000 0.819 430 A HN 0.481 nan 8.150 nan 0.000 0.448 431 R N -0.365 120.037 120.500 -0.162 0.000 2.062 431 R HA -0.120 4.220 4.340 -0.001 0.000 0.231 431 R C 2.116 178.297 176.300 -0.200 0.000 1.136 431 R CA 1.641 57.653 56.100 -0.146 0.000 0.948 431 R CB -0.272 29.972 30.300 -0.092 0.000 0.845 431 R HN 0.688 nan 8.270 nan 0.000 0.430 432 E N 0.072 120.144 120.200 -0.215 0.000 2.106 432 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 432 E C 1.813 178.250 176.600 -0.272 0.000 0.984 432 E CA 1.532 57.818 56.400 -0.191 0.000 0.806 432 E CB 0.026 29.658 29.700 -0.115 0.000 0.750 432 E HN 0.432 nan 8.360 nan 0.000 0.458 433 S N -0.623 114.765 115.700 -0.520 0.000 2.515 433 S HA 0.073 4.542 4.470 -0.001 0.000 0.231 433 S C 1.667 176.058 174.600 -0.347 0.000 0.987 433 S CA 0.494 58.381 58.200 -0.522 0.000 0.936 433 S CB 0.311 62.895 63.200 -1.026 0.000 0.766 433 S HN 0.411 nan 8.310 nan 0.000 0.528 434 G N 0.538 109.156 108.800 -0.303 0.000 2.176 434 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.232 434 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.232 434 G C 0.422 175.215 174.900 -0.179 0.000 0.986 434 G CA 0.268 45.256 45.100 -0.186 0.000 0.643 434 G HN 0.510 nan 8.290 nan 0.000 0.522 435 L N 0.923 121.981 121.223 -0.276 0.000 2.044 435 L HA 0.681 5.021 4.340 -0.001 0.000 0.205 435 L C 1.754 178.603 176.870 -0.036 0.000 1.075 435 L CA 2.593 57.310 54.840 -0.205 0.000 0.747 435 L CB -0.285 41.608 42.059 -0.276 0.000 0.903 435 L HN 0.897 nan 8.230 nan 0.000 0.435 436 A N -1.693 121.101 122.820 -0.043 0.000 2.288 436 A HA 0.518 4.838 4.320 -0.001 0.000 0.320 436 A C 0.950 178.543 177.584 0.014 0.000 1.217 436 A CA 0.133 52.199 52.037 0.048 0.000 0.840 436 A CB 0.793 19.828 19.000 0.059 0.000 1.179 436 A HN 0.399 nan 8.150 nan 0.000 0.504 437 S N 1.331 117.057 115.700 0.043 0.000 2.456 437 S HA 0.135 4.605 4.470 -0.001 0.000 0.224 437 S C 0.427 175.024 174.600 -0.005 0.000 1.035 437 S CA 0.635 58.843 58.200 0.012 0.000 0.940 437 S CB -0.236 62.977 63.200 0.021 0.000 0.799 437 S HN 0.868 nan 8.310 nan 0.000 0.508 438 E N 0.016 120.220 120.200 0.006 0.000 2.390 438 E HA 0.654 5.004 4.350 -0.001 0.000 0.277 438 E C -1.793 174.745 176.600 -0.104 0.000 0.939 438 E CA -1.074 55.278 56.400 -0.080 0.000 0.769 438 E CB 1.313 30.949 29.700 -0.106 0.000 1.251 438 E HN 0.175 nan 8.360 nan 0.000 0.450 439 L N 1.939 123.021 121.223 -0.236 0.000 2.385 439 L HA 0.554 4.893 4.340 -0.001 0.000 0.273 439 L C -1.437 175.352 176.870 -0.136 0.000 0.990 439 L CA -0.822 53.992 54.840 -0.042 0.000 0.821 439 L CB 1.327 43.425 42.059 0.066 0.000 1.279 439 L HN 0.598 nan 8.230 nan 0.000 0.412 440 Y N 2.828 123.328 120.300 0.335 0.000 2.536 440 Y HA 0.616 5.165 4.550 -0.001 0.000 0.347 440 Y C -0.342 175.452 175.900 -0.178 0.000 1.000 440 Y CA -0.725 57.457 58.100 0.137 0.000 1.051 440 Y CB 2.453 40.925 38.460 0.021 0.000 1.259 440 Y HN 0.362 nan 8.280 nan 0.000 0.468 441 I N 3.436 123.759 120.570 -0.412 0.000 2.530 441 I HA 0.626 4.795 4.170 -0.001 0.000 0.297 441 I C -1.282 174.658 176.117 -0.296 0.000 1.011 441 I CA -0.923 59.984 61.300 -0.654 0.000 1.107 441 I CB 1.412 38.597 38.000 -1.358 0.000 1.285 441 I HN 0.808 nan 8.210 nan 0.000 0.436 442 M N 6.824 126.282 119.600 -0.237 0.000 2.322 442 M HA 0.704 5.184 4.480 -0.001 0.000 0.286 442 M C -1.427 174.745 176.300 -0.213 0.000 1.111 442 M CA -0.213 54.963 55.300 -0.206 0.000 0.941 442 M CB 2.014 34.532 32.600 -0.136 0.000 1.671 442 M HN 0.710 nan 8.290 nan 0.000 0.470 443 G N 2.487 111.102 108.800 -0.308 0.000 2.623 443 G HA2 0.628 4.588 3.960 -0.001 0.000 0.290 443 G HA3 0.628 4.588 3.960 -0.001 0.000 0.290 443 G C -2.652 171.984 174.900 -0.440 0.000 1.437 443 G CA -0.462 44.482 45.100 -0.260 0.000 0.798 443 G HN 0.628 nan 8.290 nan 0.000 0.488 444 Y N 0.226 120.435 120.300 -0.151 0.000 2.524 444 Y HA 0.685 5.235 4.550 -0.001 0.000 0.344 444 Y C 1.070 176.933 175.900 -0.063 0.000 1.012 444 Y CA 0.524 58.542 58.100 -0.137 0.000 1.068 444 Y CB 2.310 40.635 38.460 -0.225 0.000 1.249 444 Y HN 1.380 nan 8.280 nan 0.000 0.468 445 S N 1.094 116.839 115.700 0.075 0.000 3.973 445 S HA -0.425 4.045 4.470 -0.001 0.000 0.627 445 S C 0.962 175.639 174.600 0.128 0.000 2.126 445 S CA 1.419 59.664 58.200 0.074 0.000 4.069 445 S CB -1.524 61.718 63.200 0.070 0.000 0.220 445 S HN 0.869 nan 8.310 nan 0.000 0.739 446 Y N 2.316 122.670 120.300 0.089 0.000 2.315 446 Y HA 0.067 4.617 4.550 -0.001 0.000 0.288 446 Y C 2.467 178.446 175.900 0.132 0.000 1.154 446 Y CA 2.648 60.849 58.100 0.170 0.000 1.229 446 Y CB -1.004 37.574 38.460 0.195 0.000 0.980 446 Y HN 0.649 nan 8.280 nan 0.000 0.540 447 G N -1.113 107.793 108.800 0.177 0.000 2.443 447 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.219 447 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.219 447 G C 1.857 176.692 174.900 -0.108 0.000 1.131 447 G CA 0.727 45.842 45.100 0.025 0.000 0.775 447 G HN 0.555 nan 8.290 nan 0.000 0.547 448 G N -0.265 108.479 108.800 -0.094 0.000 2.408 448 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.215 448 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.215 448 G C 1.569 176.383 174.900 -0.143 0.000 1.156 448 G CA 0.879 45.886 45.100 -0.155 0.000 0.793 448 G HN 0.395 nan 8.290 nan 0.000 0.535 449 Y N 1.045 121.182 120.300 -0.272 0.000 2.165 449 Y HA -0.142 4.407 4.550 -0.001 0.000 0.286 449 Y C 2.704 178.393 175.900 -0.353 0.000 1.155 449 Y CA 1.694 59.573 58.100 -0.367 0.000 1.164 449 Y CB -0.064 38.073 38.460 -0.539 0.000 0.978 449 Y HN 0.069 nan 8.280 nan 0.000 0.513 450 M N -0.496 118.826 119.600 -0.463 0.000 2.159 450 M HA -0.201 4.279 4.480 -0.001 0.000 0.263 450 M C 2.039 178.125 176.300 -0.357 0.000 1.063 450 M CA 1.972 56.989 55.300 -0.471 0.000 1.110 450 M CB -1.342 31.055 32.600 -0.337 0.000 1.374 450 M HN 0.278 nan 8.290 nan 0.000 0.411 451 T N 1.655 116.032 114.554 -0.296 0.000 2.684 451 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 451 T C 1.988 176.551 174.700 -0.227 0.000 1.036 451 T CA 1.224 63.167 62.100 -0.262 0.000 1.148 451 T CB -0.345 68.375 68.868 -0.247 0.000 0.863 451 T HN 0.328 nan 8.240 nan 0.000 0.436 452 L N 0.250 121.320 121.223 -0.254 0.000 2.083 452 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 452 L C 2.934 179.660 176.870 -0.239 0.000 1.083 452 L CA 0.896 55.603 54.840 -0.222 0.000 0.752 452 L CB -0.756 41.171 42.059 -0.220 0.000 0.899 452 L HN 0.397 nan 8.230 nan 0.000 0.433 453 C N -0.136 118.936 119.300 -0.380 0.000 2.429 453 C HA -0.146 4.314 4.460 -0.001 0.000 0.277 453 C C 3.164 178.036 174.990 -0.197 0.000 1.262 453 C CA 0.790 59.595 59.018 -0.355 0.000 1.733 453 C CB -0.971 26.436 27.740 -0.556 0.000 2.010 453 C HN 0.620 nan 8.230 nan 0.000 0.483 454 A N 0.045 122.779 122.820 -0.144 0.000 1.877 454 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 454 A C 1.926 179.536 177.584 0.043 0.000 1.186 454 A CA 1.520 53.564 52.037 0.013 0.000 0.620 454 A CB -0.552 18.523 19.000 0.125 0.000 0.822 454 A HN 0.474 nan 8.150 nan 0.000 0.443 455 L N 0.225 121.450 121.223 0.003 0.000 2.201 455 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 455 L C 2.847 179.712 176.870 -0.007 0.000 1.105 455 L CA 2.187 57.042 54.840 0.024 0.000 0.775 455 L CB -0.641 41.424 42.059 0.010 0.000 0.913 455 L HN 0.666 nan 8.230 nan 0.000 0.440 456 T N -4.936 109.590 114.554 -0.047 0.000 2.939 456 T HA -0.035 4.314 4.350 -0.001 0.000 0.254 456 T C 1.708 176.355 174.700 -0.088 0.000 1.041 456 T CA 0.544 62.615 62.100 -0.048 0.000 1.142 456 T CB -0.087 68.760 68.868 -0.035 0.000 0.874 456 T HN 0.003 nan 8.240 nan 0.000 0.452 457 M N 0.721 120.248 119.600 -0.123 0.000 2.476 457 M HA 0.300 4.779 4.480 -0.001 0.000 0.262 457 M C 0.503 176.749 176.300 -0.091 0.000 1.111 457 M CA 0.805 56.018 55.300 -0.145 0.000 1.127 457 M CB -0.354 32.142 32.600 -0.175 0.000 1.376 457 M HN 0.148 nan 8.290 nan 0.000 0.465 458 K N 0.962 121.330 120.400 -0.053 0.000 3.163 458 K HA 0.357 4.677 4.320 -0.001 0.000 0.186 458 K C -2.617 173.970 176.600 -0.022 0.000 1.111 458 K CA -1.449 54.812 56.287 -0.042 0.000 0.918 458 K CB 0.674 33.152 32.500 -0.037 0.000 1.059 458 K HN 0.061 nan 8.250 nan 0.000 0.558 459 P HA -0.011 nan 4.420 nan 0.000 0.266 459 P C 0.957 178.244 177.300 -0.021 0.000 1.195 459 P CA 1.008 64.106 63.100 -0.003 0.000 0.768 459 P CB 0.693 32.390 31.700 -0.005 0.000 0.838 460 G N 1.458 110.250 108.800 -0.013 0.000 2.217 460 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.246 460 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.246 460 G C 0.600 175.442 174.900 -0.096 0.000 0.990 460 G CA 0.327 45.403 45.100 -0.040 0.000 0.627 460 G HN 0.561 nan 8.290 nan 0.000 0.522 461 L N 0.051 121.184 121.223 -0.151 0.000 2.023 461 L HA 0.520 4.859 4.340 -0.001 0.000 0.205 461 L C 1.125 177.700 176.870 -0.493 0.000 1.073 461 L CA 1.471 56.093 54.840 -0.364 0.000 0.745 461 L CB -0.314 41.447 42.059 -0.497 0.000 0.900 461 L HN 0.232 nan 8.230 nan 0.000 0.435 462 F N -0.728 119.197 119.950 -0.040 0.000 2.432 462 F HA 0.292 4.818 4.527 -0.001 0.000 0.329 462 F C 1.494 177.250 175.800 -0.074 0.000 1.076 462 F CA -0.512 57.450 58.000 -0.063 0.000 1.018 462 F CB 1.083 40.074 39.000 -0.014 0.000 1.201 462 F HN -0.209 nan 8.300 nan 0.000 0.489 463 K N 1.257 121.674 120.400 0.029 0.000 2.167 463 K HA 0.363 4.683 4.320 -0.001 0.000 0.203 463 K C -0.053 176.635 176.600 0.148 0.000 1.052 463 K CA 0.933 57.204 56.287 -0.026 0.000 0.956 463 K CB 0.220 32.550 32.500 -0.283 0.000 0.735 463 K HN 0.745 nan 8.250 nan 0.000 0.451 464 A N -0.770 122.220 122.820 0.282 0.000 2.601 464 A HA 0.619 4.938 4.320 -0.001 0.000 0.291 464 A C -1.096 176.691 177.584 0.339 0.000 1.075 464 A CA -0.452 51.803 52.037 0.363 0.000 0.671 464 A CB 1.360 20.595 19.000 0.391 0.000 1.277 464 A HN 0.197 nan 8.150 nan 0.000 0.417 465 G N -0.773 108.203 108.800 0.294 0.000 2.667 465 G HA2 0.630 4.589 3.960 -0.001 0.000 0.298 465 G HA3 0.630 4.589 3.960 -0.001 0.000 0.298 465 G C -1.665 173.253 174.900 0.030 0.000 1.377 465 G CA -0.486 44.665 45.100 0.085 0.000 0.964 465 G HN 1.207 nan 8.290 nan 0.000 0.493 466 V N 0.814 120.676 119.914 -0.087 0.000 2.409 466 V HA 0.720 4.839 4.120 -0.001 0.000 0.291 466 V C 0.236 176.163 176.094 -0.278 0.000 1.020 466 V CA -0.676 61.500 62.300 -0.206 0.000 0.848 466 V CB 1.339 33.062 31.823 -0.167 0.000 0.990 466 V HN 1.145 nan 8.190 nan 0.000 0.430 467 A N 3.877 126.537 122.820 -0.268 0.000 2.293 467 A HA 0.821 5.140 4.320 -0.001 0.000 0.312 467 A C 0.248 177.687 177.584 -0.241 0.000 1.309 467 A CA -0.186 51.699 52.037 -0.253 0.000 0.839 467 A CB 0.910 19.801 19.000 -0.181 0.000 1.155 467 A HN 0.993 nan 8.150 nan 0.000 0.501 468 G N 0.923 109.497 108.800 -0.376 0.000 2.379 468 G HA2 0.640 4.599 3.960 -0.001 0.000 0.327 468 G HA3 0.640 4.599 3.960 -0.001 0.000 0.327 468 G C 0.691 175.580 174.900 -0.019 0.000 1.145 468 G CA 0.096 45.071 45.100 -0.207 0.000 0.905 468 G HN 2.282 nan 8.290 nan 0.000 0.466 469 A N 0.934 123.747 122.820 -0.011 0.000 2.665 469 A HA -0.056 4.263 4.320 -0.001 0.000 0.301 469 A C 1.241 178.816 177.584 -0.015 0.000 1.509 469 A CA 1.039 52.957 52.037 -0.199 0.000 0.789 469 A CB -2.127 16.782 19.000 -0.153 0.000 1.024 469 A HN 2.254 nan 8.150 nan 0.000 0.460 470 S N -1.404 114.378 115.700 0.135 0.000 2.632 470 S HA 0.677 5.147 4.470 -0.001 0.000 0.267 470 S C 0.154 174.786 174.600 0.053 0.000 1.276 470 S CA -0.250 57.986 58.200 0.060 0.000 0.998 470 S CB 1.835 65.030 63.200 -0.008 0.000 0.953 470 S HN 1.204 nan 8.310 nan 0.000 0.547 471 V N 2.093 121.958 119.914 -0.081 0.000 2.472 471 V HA 0.325 4.444 4.120 -0.001 0.000 0.290 471 V C 0.590 176.531 176.094 -0.255 0.000 1.037 471 V CA -0.491 61.647 62.300 -0.269 0.000 0.908 471 V CB 1.475 32.871 31.823 -0.713 0.000 0.985 471 V HN 0.896 nan 8.190 nan 0.000 0.454 472 V N 2.053 121.811 119.914 -0.259 0.000 3.455 472 V HA 0.282 4.402 4.120 -0.001 0.000 0.250 472 V C -0.030 175.935 176.094 -0.215 0.000 1.230 472 V CA 0.719 62.901 62.300 -0.197 0.000 1.105 472 V CB 0.639 32.358 31.823 -0.175 0.000 0.850 472 V HN 0.965 nan 8.190 nan 0.000 0.461 473 D N -1.925 118.305 120.400 -0.283 0.000 2.354 473 D HA 0.109 4.749 4.640 -0.001 0.000 0.230 473 D C 0.033 176.242 176.300 -0.151 0.000 1.361 473 D CA -0.525 53.365 54.000 -0.183 0.000 0.992 473 D CB 0.419 41.161 40.800 -0.096 0.000 1.409 473 D HN 0.117 nan 8.370 nan 0.000 0.573 474 W N 2.216 123.517 121.300 0.002 0.000 2.374 474 W HA -0.014 4.645 4.660 -0.001 0.000 0.288 474 W C 2.139 178.676 176.519 0.029 0.000 1.218 474 W CA 0.339 57.673 57.345 -0.017 0.000 1.245 474 W CB 0.282 29.726 29.460 -0.027 0.000 1.126 474 W HN 0.496 nan 8.180 nan 0.000 0.545 475 E N 0.634 120.987 120.200 0.255 0.000 2.028 475 E HA -0.263 4.086 4.350 -0.001 0.000 0.191 475 E C 2.026 178.685 176.600 0.097 0.000 0.988 475 E CA 1.405 57.910 56.400 0.175 0.000 0.799 475 E CB -0.216 29.541 29.700 0.096 0.000 0.755 475 E HN 0.324 nan 8.360 nan 0.000 0.447 476 E N -0.083 120.144 120.200 0.045 0.000 2.070 476 E HA -0.253 4.097 4.350 -0.001 0.000 0.197 476 E C 2.051 178.666 176.600 0.026 0.000 1.004 476 E CA 1.290 57.695 56.400 0.007 0.000 0.805 476 E CB 0.013 29.703 29.700 -0.018 0.000 0.744 476 E HN 0.125 nan 8.360 nan 0.000 0.451 477 M N 0.075 119.698 119.600 0.039 0.000 2.117 477 M HA -0.159 4.320 4.480 -0.001 0.000 0.262 477 M C 2.054 178.379 176.300 0.041 0.000 1.065 477 M CA 1.256 56.557 55.300 0.003 0.000 1.114 477 M CB -1.084 31.495 32.600 -0.036 0.000 1.361 477 M HN 0.301 nan 8.290 nan 0.000 0.408 478 Y N 1.557 121.831 120.300 -0.042 0.000 2.151 478 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 478 Y C 1.957 177.838 175.900 -0.031 0.000 1.166 478 Y CA 1.770 59.843 58.100 -0.044 0.000 1.163 478 Y CB -0.577 37.883 38.460 0.000 0.000 0.974 478 Y HN 0.382 nan 8.280 nan 0.000 0.511 479 E N -0.044 120.169 120.200 0.021 0.000 2.072 479 E HA -0.152 4.197 4.350 -0.001 0.000 0.190 479 E C 2.404 179.004 176.600 0.001 0.000 0.982 479 E CA 1.125 57.471 56.400 -0.090 0.000 0.803 479 E CB -0.357 29.270 29.700 -0.121 0.000 0.755 479 E HN 0.465 nan 8.360 nan 0.000 0.453 480 L N 1.037 122.274 121.223 0.023 0.000 2.201 480 L HA -0.041 4.299 4.340 -0.001 0.000 0.212 480 L C 1.286 178.192 176.870 0.060 0.000 1.105 480 L CA 0.293 55.153 54.840 0.032 0.000 0.775 480 L CB -0.043 42.034 42.059 0.030 0.000 0.913 480 L HN -0.099 nan 8.230 nan 0.000 0.440 481 S N -0.418 115.328 115.700 0.075 0.000 2.646 481 S HA 0.123 4.593 4.470 -0.001 0.000 0.276 481 S C -0.277 174.405 174.600 0.137 0.000 1.222 481 S CA -0.927 57.332 58.200 0.098 0.000 1.014 481 S CB 1.119 64.314 63.200 -0.009 0.000 0.991 481 S HN 0.260 nan 8.310 nan 0.000 0.533 482 D N 0.582 121.085 120.400 0.172 0.000 2.360 482 D HA 0.189 4.829 4.640 -0.001 0.000 0.242 482 D C 1.043 177.444 176.300 0.168 0.000 1.184 482 D CA -0.315 53.777 54.000 0.154 0.000 0.930 482 D CB 0.862 41.748 40.800 0.145 0.000 1.161 482 D HN 0.410 nan 8.370 nan 0.000 0.447 483 A N 1.104 124.006 122.820 0.136 0.000 1.972 483 A HA 0.023 4.342 4.320 -0.001 0.000 0.219 483 A C 2.201 179.872 177.584 0.144 0.000 1.169 483 A CA 2.151 54.265 52.037 0.129 0.000 0.635 483 A CB -0.919 18.141 19.000 0.099 0.000 0.810 483 A HN 0.724 nan 8.150 nan 0.000 0.446 484 A N -0.942 121.972 122.820 0.155 0.000 1.873 484 A HA -0.014 4.305 4.320 -0.001 0.000 0.215 484 A C 2.034 179.772 177.584 0.255 0.000 1.186 484 A CA 1.603 53.739 52.037 0.166 0.000 0.616 484 A CB -0.690 18.387 19.000 0.127 0.000 0.823 484 A HN 0.543 nan 8.150 nan 0.000 0.442 485 F N 0.746 120.771 119.950 0.125 0.000 2.186 485 F HA -0.047 4.480 4.527 -0.001 0.000 0.299 485 F C 2.272 178.181 175.800 0.183 0.000 1.090 485 F CA 1.275 59.378 58.000 0.172 0.000 1.307 485 F CB -0.706 38.385 39.000 0.152 0.000 1.019 485 F HN 0.261 nan 8.300 nan 0.000 0.489 486 R N 0.663 121.293 120.500 0.217 0.000 2.096 486 R HA -0.236 4.104 4.340 -0.001 0.000 0.240 486 R C 2.283 178.535 176.300 -0.080 0.000 1.139 486 R CA 1.828 57.939 56.100 0.018 0.000 0.952 486 R CB -0.759 29.610 30.300 0.116 0.000 0.854 486 R HN 0.402 nan 8.270 nan 0.000 0.436 487 N N -0.057 118.676 118.700 0.055 0.000 2.120 487 N HA -0.223 4.516 4.740 -0.001 0.000 0.188 487 N C 1.847 177.379 175.510 0.038 0.000 1.024 487 N CA 1.422 54.486 53.050 0.024 0.000 0.852 487 N CB -0.220 38.318 38.487 0.084 0.000 1.003 487 N HN 0.244 nan 8.380 nan 0.000 0.424 488 F N 1.839 121.820 119.950 0.052 0.000 2.134 488 F HA -0.040 4.486 4.527 -0.001 0.000 0.299 488 F C 2.158 177.929 175.800 -0.048 0.000 1.097 488 F CA 1.111 59.155 58.000 0.073 0.000 1.264 488 F CB -0.341 38.764 39.000 0.175 0.000 1.001 488 F HN -0.010 nan 8.300 nan 0.000 0.479 489 I N 0.811 121.250 120.570 -0.218 0.000 2.252 489 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 489 I C 2.858 178.621 176.117 -0.590 0.000 1.102 489 I CA 1.537 62.535 61.300 -0.503 0.000 1.385 489 I CB -1.350 36.487 38.000 -0.272 0.000 1.064 489 I HN 0.365 nan 8.210 nan 0.000 0.414 490 E N 0.611 120.491 120.200 -0.534 0.000 2.058 490 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 490 E C 2.078 178.489 176.600 -0.315 0.000 0.997 490 E CA 1.951 58.087 56.400 -0.440 0.000 0.801 490 E CB -1.052 28.430 29.700 -0.364 0.000 0.746 490 E HN 0.526 nan 8.360 nan 0.000 0.450 491 Q N -0.834 118.792 119.800 -0.290 0.000 2.050 491 Q HA -0.036 4.303 4.340 -0.001 0.000 0.202 491 Q C 2.518 178.331 176.000 -0.311 0.000 0.980 491 Q CA 1.318 56.984 55.803 -0.227 0.000 0.840 491 Q CB -0.746 27.914 28.738 -0.129 0.000 0.898 491 Q HN 0.679 nan 8.270 nan 0.000 0.424 492 L N 1.216 122.104 121.223 -0.558 0.000 2.046 492 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 492 L C 2.279 178.879 176.870 -0.450 0.000 1.077 492 L CA 2.494 56.970 54.840 -0.606 0.000 0.747 492 L CB -0.699 40.713 42.059 -1.078 0.000 0.896 492 L HN 0.597 nan 8.230 nan 0.000 0.432 493 T N -3.978 110.300 114.554 -0.461 0.000 3.107 493 T HA 0.317 4.666 4.350 -0.001 0.000 0.249 493 T C 1.356 175.944 174.700 -0.186 0.000 1.096 493 T CA 0.201 62.104 62.100 -0.329 0.000 1.012 493 T CB -0.339 68.324 68.868 -0.341 0.000 0.977 493 T HN 0.581 nan 8.240 nan 0.000 0.527 494 G N 1.215 109.911 108.800 -0.173 0.000 2.203 494 G HA2 0.025 3.984 3.960 -0.001 0.000 0.263 494 G HA3 0.025 3.984 3.960 -0.001 0.000 0.263 494 G C 1.095 175.947 174.900 -0.081 0.000 1.012 494 G CA 0.300 45.337 45.100 -0.105 0.000 0.749 494 G HN 1.759 nan 8.290 nan 0.000 0.512 495 G N -1.577 107.161 108.800 -0.103 0.000 2.168 495 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.257 495 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.257 495 G C 0.481 175.379 174.900 -0.003 0.000 0.997 495 G CA 1.300 46.370 45.100 -0.050 0.000 0.708 495 G HN 2.160 nan 8.290 nan 0.000 0.520 496 S N -0.641 115.049 115.700 -0.017 0.000 2.420 496 S HA 0.527 4.996 4.470 -0.001 0.000 0.313 496 S C 1.690 176.310 174.600 0.034 0.000 1.079 496 S CA -0.281 57.924 58.200 0.009 0.000 1.104 496 S CB 0.692 63.891 63.200 -0.001 0.000 0.969 496 S HN 0.395 nan 8.310 nan 0.000 0.471 497 R N 2.625 123.160 120.500 0.058 0.000 2.127 497 R HA -0.126 4.213 4.340 -0.001 0.000 0.238 497 R C 1.340 177.676 176.300 0.060 0.000 1.134 497 R CA 1.783 57.926 56.100 0.073 0.000 0.975 497 R CB -0.061 30.271 30.300 0.054 0.000 0.865 497 R HN 0.632 nan 8.270 nan 0.000 0.447 498 E N 0.195 120.421 120.200 0.044 0.000 2.110 498 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 498 E C 1.743 178.378 176.600 0.059 0.000 0.988 498 E CA 0.848 57.274 56.400 0.044 0.000 0.804 498 E CB -0.006 29.713 29.700 0.031 0.000 0.745 498 E HN 0.208 nan 8.360 nan 0.000 0.458 499 I N 0.118 120.716 120.570 0.048 0.000 2.333 499 I HA -0.136 4.034 4.170 -0.001 0.000 0.246 499 I C 2.098 178.274 176.117 0.097 0.000 1.106 499 I CA 1.036 62.367 61.300 0.052 0.000 1.411 499 I CB -0.765 37.233 38.000 -0.002 0.000 1.082 499 I HN 0.227 nan 8.210 nan 0.000 0.420 500 M N -0.145 119.509 119.600 0.091 0.000 2.108 500 M HA -0.273 4.207 4.480 -0.001 0.000 0.257 500 M C 2.474 178.929 176.300 0.258 0.000 1.071 500 M CA 1.995 57.414 55.300 0.199 0.000 1.093 500 M CB -0.459 32.257 32.600 0.193 0.000 1.345 500 M HN 0.140 nan 8.290 nan 0.000 0.403 501 R N -0.284 120.310 120.500 0.156 0.000 2.062 501 R HA -0.075 4.264 4.340 -0.001 0.000 0.226 501 R C 2.526 178.902 176.300 0.126 0.000 1.125 501 R CA 1.805 57.971 56.100 0.110 0.000 0.966 501 R CB -0.238 30.095 30.300 0.055 0.000 0.861 501 R HN 0.463 nan 8.270 nan 0.000 0.433 502 S N 0.322 116.113 115.700 0.153 0.000 2.428 502 S HA -0.013 4.456 4.470 -0.001 0.000 0.230 502 S C 1.545 176.340 174.600 0.325 0.000 1.014 502 S CA 0.583 58.915 58.200 0.220 0.000 0.957 502 S CB 0.077 63.370 63.200 0.155 0.000 0.784 502 S HN 0.140 nan 8.310 nan 0.000 0.499 503 R N 1.486 122.166 120.500 0.299 0.000 2.359 503 R HA 0.392 4.731 4.340 -0.001 0.000 0.231 503 R C -0.213 176.367 176.300 0.466 0.000 0.913 503 R CA -0.033 56.288 56.100 0.367 0.000 1.075 503 R CB -0.538 30.000 30.300 0.397 0.000 1.087 503 R HN 0.301 nan 8.270 nan 0.000 0.515 504 S N 2.526 118.431 115.700 0.340 0.000 2.430 504 S HA 0.240 4.709 4.470 -0.001 0.000 0.289 504 S C -1.734 172.947 174.600 0.135 0.000 1.143 504 S CA -1.210 57.097 58.200 0.179 0.000 1.067 504 S CB 1.838 65.085 63.200 0.078 0.000 0.964 504 S HN -0.027 nan 8.310 nan 0.000 0.485 505 P HA 0.014 nan 4.420 nan 0.000 0.223 505 P C 1.278 178.573 177.300 -0.007 0.000 1.151 505 P CA 0.252 63.379 63.100 0.046 0.000 0.787 505 P CB 0.092 31.741 31.700 -0.085 0.000 0.788 506 I N -0.260 120.270 120.570 -0.066 0.000 2.454 506 I HA -0.187 3.983 4.170 -0.001 0.000 0.254 506 I C 1.205 177.252 176.117 -0.117 0.000 1.156 506 I CA 1.419 62.660 61.300 -0.099 0.000 1.433 506 I CB -0.263 37.671 38.000 -0.111 0.000 1.082 506 I HN -0.144 nan 8.210 nan 0.000 0.432 507 N N -0.057 118.539 118.700 -0.173 0.000 2.461 507 N HA -0.016 4.724 4.740 -0.001 0.000 0.188 507 N C 0.243 175.451 175.510 -0.503 0.000 1.134 507 N CA 0.669 53.519 53.050 -0.333 0.000 0.878 507 N CB -0.115 38.125 38.487 -0.411 0.000 0.972 507 N HN 0.530 nan 8.380 nan 0.000 0.456 508 H N -1.067 117.979 119.070 -0.040 0.000 2.777 508 H HA 0.225 4.780 4.556 -0.001 0.000 0.244 508 H C 1.207 176.508 175.328 -0.045 0.000 1.185 508 H CA -0.123 55.902 56.048 -0.037 0.000 0.945 508 H CB 0.342 30.082 29.762 -0.037 0.000 1.994 508 H HN -0.100 nan 8.280 nan 0.000 0.638 509 V N 0.259 120.185 119.914 0.019 0.000 2.626 509 V HA -0.206 3.914 4.120 -0.001 0.000 0.252 509 V C 2.152 178.249 176.094 0.005 0.000 1.067 509 V CA 1.996 64.291 62.300 -0.009 0.000 1.081 509 V CB -0.132 31.660 31.823 -0.052 0.000 0.686 509 V HN 0.343 nan 8.190 nan 0.000 0.468 510 D N 0.233 120.640 120.400 0.013 0.000 2.182 510 D HA -0.148 4.491 4.640 -0.001 0.000 0.201 510 D C 2.379 178.692 176.300 0.022 0.000 0.986 510 D CA 0.931 54.940 54.000 0.015 0.000 0.847 510 D CB 0.025 40.834 40.800 0.015 0.000 0.942 510 D HN 0.204 nan 8.370 nan 0.000 0.467 511 R N -0.753 119.765 120.500 0.030 0.000 2.236 511 R HA 0.194 4.534 4.340 -0.001 0.000 0.208 511 R C 0.910 177.220 176.300 0.015 0.000 1.036 511 R CA -0.071 56.042 56.100 0.020 0.000 1.001 511 R CB -0.766 29.543 30.300 0.015 0.000 0.896 511 R HN 0.349 nan 8.270 nan 0.000 0.464 512 I N 1.650 122.231 120.570 0.018 0.000 2.683 512 I HA 0.004 4.173 4.170 -0.001 0.000 0.286 512 I C 1.339 177.477 176.117 0.034 0.000 1.175 512 I CA 0.921 62.235 61.300 0.023 0.000 1.429 512 I CB 0.633 38.645 38.000 0.019 0.000 1.371 512 I HN 0.086 nan 8.210 nan 0.000 0.569 513 K N 4.297 124.722 120.400 0.042 0.000 2.481 513 K HA 0.222 4.542 4.320 -0.001 0.000 0.210 513 K C -0.244 176.394 176.600 0.063 0.000 1.161 513 K CA -0.033 56.281 56.287 0.045 0.000 1.023 513 K CB 0.903 33.421 32.500 0.030 0.000 0.971 513 K HN 0.545 nan 8.250 nan 0.000 0.577 514 E N 1.128 121.377 120.200 0.082 0.000 2.221 514 E HA 0.289 4.638 4.350 -0.001 0.000 0.268 514 E C -2.762 173.929 176.600 0.152 0.000 0.933 514 E CA -2.240 54.229 56.400 0.114 0.000 0.809 514 E CB 1.228 31.005 29.700 0.129 0.000 1.190 514 E HN -0.185 nan 8.360 nan 0.000 0.406 515 P HA 0.039 nan 4.420 nan 0.000 0.266 515 P C -1.258 176.255 177.300 0.355 0.000 1.195 515 P CA -0.111 63.163 63.100 0.290 0.000 0.768 515 P CB 0.369 32.267 31.700 0.330 0.000 0.838 516 L N 2.648 124.024 121.223 0.255 0.000 2.409 516 L HA 0.753 5.093 4.340 -0.001 0.000 0.272 516 L C -1.262 175.507 176.870 -0.169 0.000 0.980 516 L CA -0.797 54.081 54.840 0.063 0.000 0.826 516 L CB 1.663 43.745 42.059 0.039 0.000 1.268 516 L HN 0.389 nan 8.230 nan 0.000 0.407 517 A N 5.990 128.485 122.820 -0.541 0.000 2.303 517 A HA 0.790 5.110 4.320 -0.001 0.000 0.320 517 A C -1.254 176.158 177.584 -0.287 0.000 1.192 517 A CA -0.499 51.159 52.037 -0.632 0.000 0.821 517 A CB 0.685 18.885 19.000 -1.333 0.000 1.188 517 A HN 0.725 nan 8.150 nan 0.000 0.492 518 L N 3.230 124.377 121.223 -0.127 0.000 2.296 518 L HA 0.556 4.895 4.340 -0.001 0.000 0.286 518 L C -0.753 176.132 176.870 0.024 0.000 1.023 518 L CA -0.234 54.565 54.840 -0.068 0.000 0.812 518 L CB 1.469 43.485 42.059 -0.072 0.000 1.223 518 L HN 0.580 nan 8.230 nan 0.000 0.421 519 I N 2.475 123.074 120.570 0.048 0.000 2.418 519 I HA 0.381 4.551 4.170 -0.001 0.000 0.287 519 I C -0.933 175.284 176.117 0.168 0.000 1.008 519 I CA -0.472 60.906 61.300 0.130 0.000 1.104 519 I CB 1.647 39.722 38.000 0.124 0.000 1.264 519 I HN 0.563 nan 8.210 nan 0.000 0.438 520 H N 6.818 125.912 119.070 0.040 0.000 2.894 520 H HA 0.453 5.009 4.556 -0.001 0.000 0.367 520 H C -2.717 172.621 175.328 0.017 0.000 1.144 520 H CA -1.387 54.670 56.048 0.015 0.000 1.180 520 H CB 2.923 32.678 29.762 -0.011 0.000 1.758 520 H HN 0.239 nan 8.280 nan 0.000 0.541 521 P HA -0.010 nan 4.420 nan 0.000 0.271 521 P C 0.106 177.433 177.300 0.044 0.000 1.218 521 P CA -0.090 62.966 63.100 -0.073 0.000 0.780 521 P CB 1.355 32.961 31.700 -0.157 0.000 0.901 522 Q N 2.534 122.363 119.800 0.049 0.000 2.302 522 Q HA -0.049 4.290 4.340 -0.001 0.000 0.202 522 Q C 0.179 176.212 176.000 0.055 0.000 0.936 522 Q CA 1.234 57.077 55.803 0.065 0.000 0.886 522 Q CB 0.140 28.908 28.738 0.049 0.000 0.986 522 Q HN 0.559 nan 8.270 nan 0.000 0.487 523 N N -0.853 117.871 118.700 0.041 0.000 2.595 523 N HA 0.194 4.934 4.740 -0.001 0.000 0.291 523 N C -1.198 174.338 175.510 0.043 0.000 1.706 523 N CA -0.068 53.007 53.050 0.042 0.000 0.867 523 N CB 0.131 38.640 38.487 0.037 0.000 1.414 523 N HN 0.059 nan 8.380 nan 0.000 0.492 524 A N -0.122 122.718 122.820 0.034 0.000 2.328 524 A HA 0.695 5.015 4.320 -0.001 0.000 0.284 524 A C 1.512 179.137 177.584 0.069 0.000 1.160 524 A CA 0.174 52.237 52.037 0.042 0.000 0.818 524 A CB 0.294 19.275 19.000 -0.031 0.000 1.087 524 A HN 0.508 nan 8.150 nan 0.000 0.504 525 S N 1.857 117.611 115.700 0.091 0.000 2.382 525 S HA -0.140 4.330 4.470 -0.001 0.000 0.228 525 S C 1.813 176.487 174.600 0.123 0.000 1.027 525 S CA 1.572 59.829 58.200 0.096 0.000 0.991 525 S CB -0.147 63.108 63.200 0.090 0.000 0.823 525 S HN 0.763 nan 8.310 nan 0.000 0.469 526 R N -0.102 120.480 120.500 0.137 0.000 2.397 526 R HA 0.157 4.496 4.340 -0.001 0.000 0.241 526 R C -0.352 176.069 176.300 0.203 0.000 0.914 526 R CA 0.350 56.571 56.100 0.202 0.000 1.071 526 R CB 0.577 30.964 30.300 0.146 0.000 1.116 526 R HN 0.214 nan 8.270 nan 0.000 0.524 527 T N 3.251 117.870 114.554 0.109 0.000 3.401 527 T HA 0.223 4.572 4.350 -0.001 0.000 0.341 527 T C -2.583 172.191 174.700 0.124 0.000 1.674 527 T CA -1.266 60.881 62.100 0.078 0.000 1.600 527 T CB 1.453 70.264 68.868 -0.095 0.000 0.974 527 T HN -0.009 nan 8.240 nan 0.000 0.672 528 P HA 0.203 nan 4.420 nan 0.000 0.274 528 P C 0.802 178.205 177.300 0.172 0.000 1.231 528 P CA -0.632 62.547 63.100 0.132 0.000 0.790 528 P CB 1.247 33.001 31.700 0.091 0.000 0.951 529 L N 2.575 123.872 121.223 0.124 0.000 2.131 529 L HA -0.014 4.326 4.340 -0.001 0.000 0.206 529 L C 2.531 179.391 176.870 -0.016 0.000 1.087 529 L CA 1.826 56.719 54.840 0.087 0.000 0.767 529 L CB -1.105 41.001 42.059 0.080 0.000 0.917 529 L HN 0.308 nan 8.230 nan 0.000 0.441 530 K N -0.227 120.171 120.400 -0.003 0.000 2.059 530 K HA -0.184 4.136 4.320 -0.001 0.000 0.212 530 K C -0.574 175.989 176.600 -0.062 0.000 1.050 530 K CA 2.243 58.514 56.287 -0.027 0.000 0.927 530 K CB -1.019 31.473 32.500 -0.012 0.000 0.714 530 K HN 0.291 nan 8.250 nan 0.000 0.447 531 P HA -0.137 nan 4.420 nan 0.000 0.218 531 P C 1.129 178.329 177.300 -0.167 0.000 1.149 531 P CA 0.880 63.920 63.100 -0.100 0.000 0.817 531 P CB 0.091 31.741 31.700 -0.083 0.000 0.785 532 L N -1.253 119.825 121.223 -0.241 0.000 2.156 532 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 532 L C 2.133 178.851 176.870 -0.254 0.000 1.095 532 L CA 1.383 56.007 54.840 -0.361 0.000 0.770 532 L CB -0.901 40.740 42.059 -0.696 0.000 0.914 532 L HN -0.142 nan 8.230 nan 0.000 0.439 533 L N -0.832 120.288 121.223 -0.171 0.000 2.083 533 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 533 L C 2.735 179.530 176.870 -0.124 0.000 1.083 533 L CA 1.425 56.194 54.840 -0.120 0.000 0.752 533 L CB -0.538 41.480 42.059 -0.070 0.000 0.899 533 L HN 0.285 nan 8.230 nan 0.000 0.433 534 R N 0.282 120.709 120.500 -0.122 0.000 2.081 534 R HA -0.210 4.130 4.340 -0.001 0.000 0.235 534 R C 2.332 178.543 176.300 -0.149 0.000 1.131 534 R CA 1.378 57.410 56.100 -0.114 0.000 0.960 534 R CB -0.280 29.962 30.300 -0.098 0.000 0.856 534 R HN 0.165 nan 8.270 nan 0.000 0.436 535 L N 0.827 121.936 121.223 -0.191 0.000 2.012 535 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 535 L C 2.074 178.754 176.870 -0.317 0.000 1.073 535 L CA 1.932 56.630 54.840 -0.237 0.000 0.748 535 L CB -0.394 41.506 42.059 -0.266 0.000 0.891 535 L HN 0.298 nan 8.230 nan 0.000 0.431 536 M N -1.150 118.229 119.600 -0.369 0.000 2.213 536 M HA -0.109 4.370 4.480 -0.001 0.000 0.263 536 M C 2.040 178.177 176.300 -0.271 0.000 1.062 536 M CA 1.496 56.481 55.300 -0.525 0.000 1.105 536 M CB -0.834 31.558 32.600 -0.345 0.000 1.385 536 M HN 0.501 nan 8.290 nan 0.000 0.417 537 G N -0.308 108.401 108.800 -0.152 0.000 2.394 537 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.215 537 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.215 537 G C 1.409 176.266 174.900 -0.071 0.000 1.165 537 G CA 0.357 45.414 45.100 -0.070 0.000 0.784 537 G HN 0.287 nan 8.290 nan 0.000 0.535 538 E N 0.516 120.652 120.200 -0.107 0.000 2.118 538 E HA -0.062 4.288 4.350 -0.001 0.000 0.195 538 E C 2.652 179.198 176.600 -0.090 0.000 0.992 538 E CA 0.446 56.789 56.400 -0.094 0.000 0.804 538 E CB -0.317 29.317 29.700 -0.110 0.000 0.741 538 E HN 0.433 nan 8.360 nan 0.000 0.458 539 L N 0.120 121.247 121.223 -0.160 0.000 1.948 539 L HA -0.213 4.127 4.340 -0.001 0.000 0.212 539 L C 2.632 179.532 176.870 0.049 0.000 1.074 539 L CA 1.024 55.793 54.840 -0.119 0.000 0.753 539 L CB -0.672 41.144 42.059 -0.404 0.000 0.888 539 L HN 0.157 nan 8.230 nan 0.000 0.432 540 L N 0.228 121.535 121.223 0.140 0.000 2.081 540 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 540 L C 2.552 179.477 176.870 0.092 0.000 1.080 540 L CA 2.033 56.999 54.840 0.210 0.000 0.754 540 L CB -0.666 41.527 42.059 0.225 0.000 0.893 540 L HN 0.216 nan 8.230 nan 0.000 0.433 541 A N -0.377 122.470 122.820 0.045 0.000 1.902 541 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 541 A C 2.264 179.861 177.584 0.022 0.000 1.181 541 A CA 1.824 53.874 52.037 0.022 0.000 0.623 541 A CB -0.478 18.522 19.000 0.000 0.000 0.818 541 A HN 0.554 nan 8.150 nan 0.000 0.443 542 R N -1.525 118.989 120.500 0.023 0.000 2.426 542 R HA 0.292 4.631 4.340 -0.001 0.000 0.263 542 R C 1.003 177.325 176.300 0.037 0.000 0.961 542 R CA 0.473 56.585 56.100 0.020 0.000 1.086 542 R CB 0.046 30.349 30.300 0.005 0.000 1.186 542 R HN 0.671 nan 8.270 nan 0.000 0.537 543 G N 1.338 110.171 108.800 0.055 0.000 2.159 543 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.256 543 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.256 543 G C -0.137 174.810 174.900 0.079 0.000 0.977 543 G CA -0.147 44.987 45.100 0.058 0.000 0.652 543 G HN 0.104 nan 8.290 nan 0.000 0.531 544 K N 1.120 121.590 120.400 0.117 0.000 2.218 544 K HA 0.440 4.760 4.320 -0.001 0.000 0.276 544 K C 0.405 177.124 176.600 0.199 0.000 1.022 544 K CA -0.256 56.117 56.287 0.143 0.000 0.946 544 K CB 0.844 33.421 32.500 0.129 0.000 1.000 544 K HN 0.105 nan 8.250 nan 0.000 0.468 545 T N 4.261 118.903 114.554 0.148 0.000 2.817 545 T HA 0.282 4.631 4.350 -0.001 0.000 0.295 545 T C -0.110 174.728 174.700 0.229 0.000 0.958 545 T CA 0.128 62.301 62.100 0.123 0.000 1.157 545 T CB -0.575 68.359 68.868 0.111 0.000 0.898 545 T HN 0.449 nan 8.240 nan 0.000 0.536 546 F N 0.784 120.750 119.950 0.028 0.000 2.654 546 F HA 0.747 5.273 4.527 -0.001 0.000 0.308 546 F C -0.838 174.946 175.800 -0.027 0.000 1.108 546 F CA -1.376 56.618 58.000 -0.010 0.000 0.957 546 F CB 1.584 40.554 39.000 -0.050 0.000 1.309 546 F HN 0.418 nan 8.300 nan 0.000 0.446 547 E N 1.978 122.193 120.200 0.025 0.000 2.227 547 E HA 0.822 5.172 4.350 -0.001 0.000 0.268 547 E C -1.657 174.935 176.600 -0.014 0.000 0.907 547 E CA -1.219 55.126 56.400 -0.092 0.000 0.786 547 E CB 2.051 31.722 29.700 -0.048 0.000 1.191 547 E HN 1.106 nan 8.360 nan 0.000 0.411 548 A N 3.901 126.616 122.820 -0.175 0.000 2.486 548 A HA 0.535 4.854 4.320 -0.001 0.000 0.300 548 A C -1.653 175.645 177.584 -0.476 0.000 1.048 548 A CA -0.684 51.274 52.037 -0.132 0.000 0.696 548 A CB 1.319 20.367 19.000 0.079 0.000 1.278 548 A HN 0.714 nan 8.150 nan 0.000 0.405 549 H N 1.961 121.054 119.070 0.038 0.000 2.906 549 H HA 0.415 4.970 4.556 -0.001 0.000 0.324 549 H C -1.336 174.024 175.328 0.053 0.000 0.973 549 H CA -0.195 55.876 56.048 0.037 0.000 1.321 549 H CB 1.393 31.170 29.762 0.026 0.000 1.535 549 H HN 0.526 nan 8.280 nan 0.000 0.518 550 I N 5.128 125.772 120.570 0.124 0.000 2.362 550 I HA 0.290 4.460 4.170 -0.001 0.000 0.289 550 I C -0.179 175.992 176.117 0.090 0.000 0.994 550 I CA -0.419 60.944 61.300 0.106 0.000 1.158 550 I CB 1.230 39.273 38.000 0.072 0.000 1.315 550 I HN 0.325 nan 8.210 nan 0.000 0.451 551 I N 8.527 129.143 120.570 0.078 0.000 2.447 551 I HA 0.388 4.558 4.170 -0.001 0.000 0.287 551 I C -2.374 173.762 176.117 0.033 0.000 1.023 551 I CA -2.008 59.323 61.300 0.051 0.000 1.083 551 I CB 1.855 39.879 38.000 0.040 0.000 1.245 551 I HN 0.286 nan 8.210 nan 0.000 0.434 552 P HA 0.142 nan 4.420 nan 0.000 0.274 552 P C -0.821 176.489 177.300 0.016 0.000 1.231 552 P CA 0.077 63.192 63.100 0.024 0.000 0.790 552 P CB 0.446 32.160 31.700 0.024 0.000 0.951 553 D N 0.255 120.665 120.400 0.018 0.000 2.737 553 D HA -0.179 4.460 4.640 -0.001 0.000 0.238 553 D C 1.047 177.353 176.300 0.010 0.000 1.157 553 D CA 1.200 55.212 54.000 0.021 0.000 0.694 553 D CB -1.486 39.327 40.800 0.022 0.000 1.021 553 D HN 0.492 nan 8.370 nan 0.000 0.420 554 A N 0.135 122.949 122.820 -0.011 0.000 2.066 554 A HA 0.395 4.714 4.320 -0.001 0.000 0.218 554 A C 1.718 179.282 177.584 -0.033 0.000 1.157 554 A CA 1.883 53.898 52.037 -0.036 0.000 0.670 554 A CB -0.104 18.851 19.000 -0.075 0.000 0.804 554 A HN 1.407 nan 8.150 nan 0.000 0.453 555 G N -1.510 107.298 108.800 0.013 0.000 2.645 555 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.239 555 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.239 555 G C 0.093 175.018 174.900 0.042 0.000 1.331 555 G CA 0.194 45.372 45.100 0.130 0.000 0.890 555 G HN 0.725 nan 8.290 nan 0.000 0.572 556 H N -0.134 118.920 119.070 -0.027 0.000 3.367 556 H HA 0.524 5.079 4.556 -0.001 0.000 0.257 556 H C 0.735 176.044 175.328 -0.031 0.000 1.201 556 H CA 0.574 56.601 56.048 -0.035 0.000 1.102 556 H CB 0.797 30.538 29.762 -0.036 0.000 1.656 556 H HN 1.146 nan 8.280 nan 0.000 0.662 557 A N 1.248 124.112 122.820 0.072 0.000 2.549 557 A HA 0.498 4.817 4.320 -0.001 0.000 0.297 557 A C -0.971 176.622 177.584 0.016 0.000 1.061 557 A CA -0.602 51.458 52.037 0.039 0.000 0.690 557 A CB 1.467 20.487 19.000 0.034 0.000 1.287 557 A HN 0.183 nan 8.150 nan 0.000 0.402 558 I N 2.992 123.567 120.570 0.008 0.000 2.291 558 I HA 0.140 4.310 4.170 -0.001 0.000 0.292 558 I C 0.160 176.250 176.117 -0.044 0.000 1.064 558 I CA -0.295 60.975 61.300 -0.049 0.000 1.269 558 I CB 0.598 38.507 38.000 -0.151 0.000 1.418 558 I HN 0.691 nan 8.210 nan 0.000 0.485 559 N N 3.117 121.800 118.700 -0.027 0.000 2.571 559 N HA 0.045 4.784 4.740 -0.001 0.000 0.195 559 N C 0.737 176.238 175.510 -0.016 0.000 1.040 559 N CA 0.562 53.606 53.050 -0.009 0.000 0.890 559 N CB 0.447 38.942 38.487 0.012 0.000 1.233 559 N HN 0.573 nan 8.380 nan 0.000 0.435 560 T N -1.638 112.902 114.554 -0.024 0.000 2.948 560 T HA 0.344 4.694 4.350 -0.001 0.000 0.285 560 T C 1.226 175.901 174.700 -0.042 0.000 1.019 560 T CA -0.570 61.516 62.100 -0.024 0.000 1.013 560 T CB 1.943 70.802 68.868 -0.015 0.000 1.117 560 T HN -0.194 nan 8.240 nan 0.000 0.533 561 M N 0.438 120.016 119.600 -0.036 0.000 2.159 561 M HA 0.042 4.522 4.480 -0.001 0.000 0.263 561 M C 2.175 178.443 176.300 -0.053 0.000 1.063 561 M CA 1.726 56.998 55.300 -0.046 0.000 1.110 561 M CB -1.131 31.452 32.600 -0.029 0.000 1.374 561 M HN 0.932 nan 8.290 nan 0.000 0.411 562 E N -0.243 119.935 120.200 -0.038 0.000 2.070 562 E HA -0.262 4.088 4.350 -0.001 0.000 0.197 562 E C 1.416 177.986 176.600 -0.049 0.000 1.004 562 E CA 1.879 58.257 56.400 -0.036 0.000 0.805 562 E CB -0.126 29.561 29.700 -0.021 0.000 0.744 562 E HN 0.530 nan 8.360 nan 0.000 0.451 563 D N 0.106 120.475 120.400 -0.051 0.000 2.104 563 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 563 D C 1.849 178.089 176.300 -0.100 0.000 0.994 563 D CA 1.432 55.395 54.000 -0.062 0.000 0.830 563 D CB -0.399 40.367 40.800 -0.056 0.000 0.959 563 D HN 0.328 nan 8.370 nan 0.000 0.452 564 A N 0.712 123.455 122.820 -0.128 0.000 1.933 564 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 564 A C 2.552 180.031 177.584 -0.175 0.000 1.175 564 A CA 1.152 53.076 52.037 -0.187 0.000 0.628 564 A CB -0.686 18.199 19.000 -0.190 0.000 0.814 564 A HN 0.151 nan 8.150 nan 0.000 0.444 565 V N -0.002 119.829 119.914 -0.138 0.000 2.427 565 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 565 V C 2.429 178.436 176.094 -0.145 0.000 1.051 565 V CA 2.349 64.560 62.300 -0.150 0.000 1.048 565 V CB -0.652 31.113 31.823 -0.096 0.000 0.666 565 V HN 0.546 nan 8.190 nan 0.000 0.456 566 K N -0.337 120.004 120.400 -0.098 0.000 2.025 566 K HA -0.010 4.309 4.320 -0.001 0.000 0.207 566 K C 1.914 178.475 176.600 -0.066 0.000 1.049 566 K CA 1.565 57.811 56.287 -0.069 0.000 0.933 566 K CB -0.098 32.379 32.500 -0.037 0.000 0.714 566 K HN 0.397 nan 8.250 nan 0.000 0.438 567 I N -0.736 119.798 120.570 -0.060 0.000 3.445 567 I HA -0.073 4.097 4.170 -0.001 0.000 0.288 567 I C 1.736 177.895 176.117 0.070 0.000 1.198 567 I CA 0.113 61.420 61.300 0.012 0.000 1.417 567 I CB 0.258 38.251 38.000 -0.012 0.000 1.205 567 I HN 0.032 nan 8.210 nan 0.000 0.448 568 L N 0.426 121.617 121.223 -0.054 0.000 2.269 568 L HA 0.173 4.512 4.340 -0.001 0.000 0.200 568 L C 2.086 178.870 176.870 -0.143 0.000 1.069 568 L CA 1.487 56.287 54.840 -0.067 0.000 0.804 568 L CB -0.556 41.275 42.059 -0.380 0.000 0.987 568 L HN 0.062 nan 8.230 nan 0.000 0.468 569 L N 0.394 121.448 121.223 -0.281 0.000 2.043 569 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 569 L C -0.224 176.323 176.870 -0.537 0.000 1.075 569 L CA 1.741 56.259 54.840 -0.535 0.000 0.752 569 L CB -1.724 39.909 42.059 -0.709 0.000 0.891 569 L HN 0.270 nan 8.230 nan 0.000 0.432 570 P HA -0.158 nan 4.420 nan 0.000 0.216 570 P C 1.398 178.683 177.300 -0.025 0.000 1.150 570 P CA 1.711 64.635 63.100 -0.295 0.000 0.837 570 P CB -0.018 31.344 31.700 -0.563 0.000 0.786 571 A N -0.484 122.338 122.820 0.005 0.000 1.858 571 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 571 A C 2.333 179.986 177.584 0.115 0.000 1.190 571 A CA 2.004 54.094 52.037 0.089 0.000 0.617 571 A CB -1.715 17.355 19.000 0.118 0.000 0.827 571 A HN 0.030 nan 8.150 nan 0.000 0.443 572 V N -0.683 119.261 119.914 0.050 0.000 2.295 572 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 572 V C 2.389 178.649 176.094 0.277 0.000 1.049 572 V CA 1.849 64.200 62.300 0.084 0.000 1.024 572 V CB -1.067 30.793 31.823 0.062 0.000 0.648 572 V HN 0.508 nan 8.190 nan 0.000 0.447 573 F N -0.137 119.897 119.950 0.140 0.000 2.126 573 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 573 F C 2.288 178.214 175.800 0.209 0.000 1.096 573 F CA 1.208 59.344 58.000 0.227 0.000 1.255 573 F CB -1.371 37.828 39.000 0.333 0.000 0.997 573 F HN 0.248 nan 8.300 nan 0.000 0.479 574 F N 0.627 120.733 119.950 0.259 0.000 2.102 574 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 574 F C 2.069 177.898 175.800 0.048 0.000 1.105 574 F CA 1.544 59.636 58.000 0.153 0.000 1.239 574 F CB -0.592 38.477 39.000 0.116 0.000 0.991 574 F HN -0.134 nan 8.300 nan 0.000 0.474 575 L N 0.033 121.199 121.223 -0.094 0.000 2.093 575 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 575 L C 2.842 179.620 176.870 -0.153 0.000 1.085 575 L CA 1.033 55.618 54.840 -0.425 0.000 0.755 575 L CB -1.278 40.357 42.059 -0.706 0.000 0.904 575 L HN 0.264 nan 8.230 nan 0.000 0.435 576 A N 0.430 123.302 122.820 0.086 0.000 1.908 576 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 576 A C 2.474 180.026 177.584 -0.053 0.000 1.181 576 A CA 2.459 54.560 52.037 0.106 0.000 0.627 576 A CB -1.008 18.029 19.000 0.061 0.000 0.818 576 A HN 0.532 nan 8.150 nan 0.000 0.445 577 T N -3.278 111.232 114.554 -0.073 0.000 2.857 577 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 577 T C 1.841 176.474 174.700 -0.111 0.000 1.048 577 T CA 1.324 63.378 62.100 -0.077 0.000 1.139 577 T CB -0.298 68.585 68.868 0.026 0.000 0.874 577 T HN 0.397 nan 8.240 nan 0.000 0.455 578 Q N 0.893 120.560 119.800 -0.221 0.000 2.167 578 Q HA 0.022 4.361 4.340 -0.001 0.000 0.202 578 Q C 2.463 178.483 176.000 0.034 0.000 0.970 578 Q CA 1.115 56.819 55.803 -0.164 0.000 0.855 578 Q CB -0.393 28.150 28.738 -0.325 0.000 0.911 578 Q HN 0.630 nan 8.270 nan 0.000 0.438 579 R N 0.856 121.381 120.500 0.042 0.000 2.105 579 R HA -0.145 4.195 4.340 -0.001 0.000 0.239 579 R C 2.117 178.440 176.300 0.039 0.000 1.135 579 R CA 1.548 57.722 56.100 0.123 0.000 0.967 579 R CB 0.213 30.546 30.300 0.056 0.000 0.861 579 R HN 0.090 nan 8.270 nan 0.000 0.442 580 E N -0.474 119.717 120.200 -0.014 0.000 2.106 580 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 580 E C 1.451 178.049 176.600 -0.003 0.000 0.984 580 E CA 1.378 57.763 56.400 -0.025 0.000 0.806 580 E CB -0.703 28.968 29.700 -0.048 0.000 0.750 580 E HN 0.639 nan 8.360 nan 0.000 0.458 581 R N 0.000 120.503 120.500 0.006 0.000 2.786 581 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 581 R CA 0.000 56.110 56.100 0.016 0.000 0.921 581 R CB 0.000 30.307 30.300 0.011 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535