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 1ykj_1_B DATA FIRST_RESID 2001 DATA SEQUENCE MKTQVAIIGA GPSGLLLGQL LHKAGIDNVI LERQTPDYVL GRIRGGVLEQ DATA SEQUENCE GMVDLLREAG VDRRMARXXL VHEGVEIAFA GQRRRIDLKR LSGGKTVTVY DATA SEQUENCE GQTEVTRDLM EAREACGATT VYQAAEVRLH DLQGERPYVT FERDGERLRL DATA SEQUENCE DCDYIAGCDG FHGISRQSIP AERLKVFERV YPFGWLGLLA DTPPVSHELI DATA SEQUENCE YANHPRGFAL CSQRSATRSR YYVQVPLSEK VEDWSDERFW TELKARLPSE DATA SEQUENCE VAEKLVTGPS LEKSIAPLRS FVVEPMQHGR LFLAGDAAHI VPPTGAKGLN DATA SEQUENCE LAASDVSTLY RLLLKAYREG RGELLERYSA ICLRRIWKAE RFSWWMTSVL DATA SEQUENCE HRFPDTDAFS QRIQQTELEY YLGSEAGLAT IAENYVGLPY EEIE 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.343 176.300 0.072 0.000 1.140 2001 M CA 0.000 55.343 55.300 0.072 0.000 0.988 2001 M CB 0.000 32.679 32.600 0.132 0.000 1.302 2002 K N 1.533 121.971 120.400 0.063 0.000 2.502 2002 K HA 0.894 5.214 4.320 0.001 0.000 0.257 2002 K C -1.631 175.005 176.600 0.060 0.000 0.938 2002 K CA -0.172 56.151 56.287 0.060 0.000 0.819 2002 K CB 2.787 35.311 32.500 0.040 0.000 1.333 2002 K HN 0.756 nan 8.250 nan 0.000 0.434 2003 T N 0.605 115.200 114.554 0.068 0.000 2.645 2003 T HA 0.255 4.605 4.350 0.001 0.000 0.300 2003 T C -0.320 174.427 174.700 0.078 0.000 1.210 2003 T CA -0.274 61.865 62.100 0.065 0.000 1.034 2003 T CB 1.373 70.282 68.868 0.069 0.000 1.537 2003 T HN 0.619 nan 8.240 nan 0.000 0.492 2004 Q N -0.432 119.419 119.800 0.085 0.000 2.200 2004 Q HA 0.319 4.660 4.340 0.001 0.000 0.197 2004 Q C -0.166 175.970 176.000 0.227 0.000 0.953 2004 Q CA 0.708 56.597 55.803 0.143 0.000 0.851 2004 Q CB 0.548 29.323 28.738 0.062 0.000 0.938 2004 Q HN 0.374 nan 8.270 nan 0.000 0.488 2005 V N 1.052 121.079 119.914 0.190 0.000 2.443 2005 V HA 0.501 4.622 4.120 0.001 0.000 0.293 2005 V C -0.823 175.350 176.094 0.132 0.000 1.021 2005 V CA -0.845 61.580 62.300 0.209 0.000 0.848 2005 V CB 1.344 33.296 31.823 0.216 0.000 0.998 2005 V HN 0.177 nan 8.190 nan 0.000 0.424 2006 A N 6.570 129.465 122.820 0.125 0.000 2.320 2006 A HA 0.801 5.121 4.320 0.001 0.000 0.287 2006 A C -0.425 177.195 177.584 0.059 0.000 1.181 2006 A CA -0.179 51.903 52.037 0.074 0.000 0.831 2006 A CB 0.090 19.138 19.000 0.080 0.000 1.102 2006 A HN 0.792 nan 8.150 nan 0.000 0.513 2007 I N 3.884 124.463 120.570 0.015 0.000 2.378 2007 I HA 0.258 4.429 4.170 0.001 0.000 0.291 2007 I C -0.674 175.418 176.117 -0.042 0.000 0.992 2007 I CA -0.598 60.704 61.300 0.004 0.000 1.154 2007 I CB 1.596 39.595 38.000 -0.001 0.000 1.315 2007 I HN 0.416 nan 8.210 nan 0.000 0.448 2008 I N 5.516 126.068 120.570 -0.030 0.000 2.297 2008 I HA 0.551 4.721 4.170 0.001 0.000 0.291 2008 I C 0.627 176.713 176.117 -0.051 0.000 1.033 2008 I CA -0.342 60.924 61.300 -0.058 0.000 1.253 2008 I CB 0.058 38.033 38.000 -0.042 0.000 1.396 2008 I HN 0.811 nan 8.210 nan 0.000 0.476 2009 G N 4.680 113.432 108.800 -0.079 0.000 3.363 2009 G HA2 0.199 4.160 3.960 0.001 0.000 0.685 2009 G HA3 0.199 4.160 3.960 0.001 0.000 0.685 2009 G C -0.368 174.496 174.900 -0.060 0.000 1.199 2009 G CA -0.396 44.672 45.100 -0.055 0.000 0.946 2009 G HN 0.936 nan 8.290 nan 0.000 0.558 2010 A N 1.602 124.384 122.820 -0.063 0.000 2.965 2010 A HA 0.789 5.110 4.320 0.001 0.000 0.304 2010 A C 1.289 178.896 177.584 0.038 0.000 1.214 2010 A CA 1.040 53.048 52.037 -0.047 0.000 0.977 2010 A CB -0.176 18.734 19.000 -0.151 0.000 1.127 2010 A HN 2.053 nan 8.150 nan 0.000 0.572 2011 G N -0.149 108.672 108.800 0.035 0.000 2.525 2011 G HA2 0.459 4.420 3.960 0.001 0.000 0.287 2011 G HA3 0.459 4.420 3.960 0.001 0.000 0.287 2011 G C -1.364 173.562 174.900 0.043 0.000 1.350 2011 G CA -1.218 43.913 45.100 0.053 0.000 1.039 2011 G HN 0.103 nan 8.290 nan 0.000 0.513 2012 P HA -0.132 nan 4.420 nan 0.000 0.216 2012 P C 2.255 179.582 177.300 0.045 0.000 1.157 2012 P CA 2.026 65.152 63.100 0.044 0.000 0.880 2012 P CB 0.080 31.808 31.700 0.047 0.000 0.791 2013 S N -0.607 115.121 115.700 0.046 0.000 2.353 2013 S HA -0.137 4.334 4.470 0.001 0.000 0.222 2013 S C 2.231 176.854 174.600 0.039 0.000 1.035 2013 S CA 1.759 59.989 58.200 0.050 0.000 1.025 2013 S CB -1.592 61.638 63.200 0.050 0.000 0.902 2013 S HN 0.305 nan 8.310 nan 0.000 0.440 2014 G N 1.375 110.191 108.800 0.026 0.000 2.402 2014 G HA2 -0.108 3.853 3.960 0.001 0.000 0.216 2014 G HA3 -0.108 3.853 3.960 0.001 0.000 0.216 2014 G C 1.367 176.271 174.900 0.007 0.000 1.162 2014 G CA 0.592 45.699 45.100 0.011 0.000 0.777 2014 G HN 0.423 nan 8.290 nan 0.000 0.539 2015 L N -0.372 120.858 121.223 0.011 0.000 2.046 2015 L HA 0.001 4.341 4.340 0.001 0.000 0.208 2015 L C 2.665 179.542 176.870 0.010 0.000 1.077 2015 L CA 0.486 55.332 54.840 0.010 0.000 0.747 2015 L CB -0.392 41.682 42.059 0.026 0.000 0.896 2015 L HN 0.223 nan 8.230 nan 0.000 0.432 2016 L N -0.336 120.899 121.223 0.020 0.000 2.056 2016 L HA -0.175 4.165 4.340 0.001 0.000 0.207 2016 L C 2.277 179.145 176.870 -0.004 0.000 1.078 2016 L CA 1.485 56.334 54.840 0.013 0.000 0.749 2016 L CB -0.444 41.636 42.059 0.033 0.000 0.901 2016 L HN 0.128 nan 8.230 nan 0.000 0.433 2017 L N -0.177 121.055 121.223 0.015 0.000 2.046 2017 L HA 0.007 4.348 4.340 0.001 0.000 0.208 2017 L C 2.311 179.191 176.870 0.016 0.000 1.077 2017 L CA 2.094 56.948 54.840 0.023 0.000 0.747 2017 L CB -1.480 40.608 42.059 0.048 0.000 0.896 2017 L HN 0.285 nan 8.230 nan 0.000 0.432 2018 G N -1.269 107.539 108.800 0.014 0.000 2.446 2018 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 2018 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 2018 G C 1.413 176.324 174.900 0.019 0.000 1.168 2018 G CA 0.686 45.796 45.100 0.017 0.000 0.771 2018 G HN 0.435 nan 8.290 nan 0.000 0.551 2019 Q N 0.202 119.997 119.800 -0.009 0.000 2.061 2019 Q HA 0.002 4.342 4.340 0.001 0.000 0.204 2019 Q C 2.836 178.815 176.000 -0.035 0.000 0.984 2019 Q CA 0.916 56.713 55.803 -0.009 0.000 0.846 2019 Q CB -0.627 28.098 28.738 -0.023 0.000 0.902 2019 Q HN 0.535 nan 8.270 nan 0.000 0.421 2020 L N -0.060 121.072 121.223 -0.151 0.000 2.046 2020 L HA -0.176 4.165 4.340 0.001 0.000 0.208 2020 L C 2.470 179.195 176.870 -0.241 0.000 1.077 2020 L CA 0.813 55.401 54.840 -0.420 0.000 0.747 2020 L CB -0.561 40.994 42.059 -0.839 0.000 0.896 2020 L HN 0.172 nan 8.230 nan 0.000 0.432 2021 L N -1.033 120.189 121.223 -0.001 0.000 2.046 2021 L HA -0.258 4.082 4.340 0.001 0.000 0.208 2021 L C 2.681 179.625 176.870 0.123 0.000 1.077 2021 L CA 1.291 56.227 54.840 0.161 0.000 0.747 2021 L CB -0.707 41.444 42.059 0.153 0.000 0.896 2021 L HN 0.293 nan 8.230 nan 0.000 0.432 2022 H N 0.571 119.644 119.070 0.006 0.000 2.290 2022 H HA -0.164 4.392 4.556 0.001 0.000 0.298 2022 H C 2.235 177.566 175.328 0.004 0.000 1.087 2022 H CA 1.677 57.725 56.048 0.001 0.000 1.291 2022 H CB 0.173 29.931 29.762 -0.007 0.000 1.369 2022 H HN -0.013 nan 8.280 nan 0.000 0.492 2023 K N 0.191 120.625 120.400 0.055 0.000 2.074 2023 K HA -0.096 4.225 4.320 0.001 0.000 0.209 2023 K C 1.919 178.513 176.600 -0.011 0.000 1.048 2023 K CA 1.196 57.479 56.287 -0.007 0.000 0.926 2023 K CB -0.568 31.928 32.500 -0.007 0.000 0.713 2023 K HN 0.434 nan 8.250 nan 0.000 0.444 2024 A N 0.215 123.075 122.820 0.065 0.000 2.327 2024 A HA 0.313 4.634 4.320 0.001 0.000 0.228 2024 A C 1.186 178.768 177.584 -0.003 0.000 1.275 2024 A CA 0.767 52.863 52.037 0.098 0.000 0.875 2024 A CB -0.472 18.694 19.000 0.277 0.000 0.925 2024 A HN 0.400 nan 8.150 nan 0.000 0.493 2025 G N -0.593 108.154 108.800 -0.088 0.000 2.153 2025 G HA2 -0.243 3.718 3.960 0.001 0.000 0.252 2025 G HA3 -0.243 3.718 3.960 0.001 0.000 0.252 2025 G C 0.065 174.891 174.900 -0.123 0.000 0.994 2025 G CA 0.463 45.483 45.100 -0.134 0.000 0.698 2025 G HN 0.536 nan 8.290 nan 0.000 0.521 2026 I N 1.649 122.170 120.570 -0.082 0.000 2.304 2026 I HA 0.225 4.395 4.170 0.001 0.000 0.291 2026 I C -0.163 175.940 176.117 -0.023 0.000 1.018 2026 I CA -0.844 60.388 61.300 -0.112 0.000 1.260 2026 I CB 0.817 38.774 38.000 -0.071 0.000 1.390 2026 I HN -0.004 nan 8.210 nan 0.000 0.475 2027 D N 6.294 126.672 120.400 -0.037 0.000 2.382 2027 D HA 0.181 4.821 4.640 0.001 0.000 0.245 2027 D C -0.455 175.881 176.300 0.059 0.000 1.120 2027 D CA 0.294 54.312 54.000 0.031 0.000 0.890 2027 D CB 1.062 41.873 40.800 0.017 0.000 1.201 2027 D HN 0.660 nan 8.370 nan 0.000 0.433 2028 N N -1.306 117.438 118.700 0.073 0.000 2.405 2028 N HA 0.531 5.272 4.740 0.001 0.000 0.274 2028 N C -1.806 173.729 175.510 0.040 0.000 1.170 2028 N CA -0.909 52.181 53.050 0.067 0.000 0.848 2028 N CB 1.504 40.035 38.487 0.073 0.000 1.629 2028 N HN 0.072 nan 8.380 nan 0.000 0.481 2029 V N 1.332 121.260 119.914 0.024 0.000 2.656 2029 V HA 0.519 4.639 4.120 0.001 0.000 0.307 2029 V C -0.494 175.568 176.094 -0.054 0.000 1.051 2029 V CA -0.676 61.617 62.300 -0.013 0.000 0.893 2029 V CB 1.576 33.399 31.823 -0.001 0.000 0.999 2029 V HN 0.684 nan 8.190 nan 0.000 0.426 2030 I N 5.095 125.603 120.570 -0.103 0.000 2.412 2030 I HA 0.480 4.650 4.170 0.001 0.000 0.296 2030 I C -0.765 175.204 176.117 -0.245 0.000 0.987 2030 I CA -0.536 60.674 61.300 -0.150 0.000 1.180 2030 I CB 1.650 39.555 38.000 -0.158 0.000 1.340 2030 I HN 0.305 nan 8.210 nan 0.000 0.455 2031 L N 5.460 126.524 121.223 -0.266 0.000 2.313 2031 L HA 0.529 4.870 4.340 0.001 0.000 0.283 2031 L C -0.547 176.144 176.870 -0.297 0.000 1.013 2031 L CA -0.548 54.071 54.840 -0.370 0.000 0.816 2031 L CB 1.659 43.437 42.059 -0.468 0.000 1.236 2031 L HN 0.510 nan 8.230 nan 0.000 0.419 2032 E N 2.530 122.534 120.200 -0.326 0.000 2.224 2032 E HA 0.265 4.616 4.350 0.001 0.000 0.265 2032 E C 0.432 176.969 176.600 -0.105 0.000 0.878 2032 E CA -0.628 55.637 56.400 -0.226 0.000 0.759 2032 E CB 1.719 31.206 29.700 -0.356 0.000 1.164 2032 E HN 0.465 nan 8.360 nan 0.000 0.414 2033 R N 3.026 123.491 120.500 -0.058 0.000 2.081 2033 R HA -0.051 4.289 4.340 0.001 0.000 0.235 2033 R C 0.345 176.636 176.300 -0.014 0.000 1.131 2033 R CA 1.180 57.260 56.100 -0.034 0.000 0.960 2033 R CB 0.185 30.456 30.300 -0.047 0.000 0.856 2033 R HN 0.575 nan 8.270 nan 0.000 0.436 2034 Q N 0.357 120.166 119.800 0.013 0.000 2.173 2034 Q HA 0.153 4.493 4.340 0.001 0.000 0.186 2034 Q C 0.049 176.150 176.000 0.169 0.000 1.018 2034 Q CA 0.051 55.852 55.803 -0.003 0.000 1.064 2034 Q CB 0.879 29.571 28.738 -0.078 0.000 1.130 2034 Q HN 0.252 nan 8.270 nan 0.000 0.553 2035 T N -2.909 111.724 114.554 0.132 0.000 2.902 2035 T HA 0.262 4.612 4.350 0.001 0.000 0.280 2035 T C -1.991 172.701 174.700 -0.012 0.000 0.992 2035 T CA -1.690 60.455 62.100 0.076 0.000 1.015 2035 T CB 0.829 69.722 68.868 0.041 0.000 1.044 2035 T HN 0.133 nan 8.240 nan 0.000 0.520 2036 P HA -0.052 nan 4.420 nan 0.000 0.215 2036 P C 1.011 178.232 177.300 -0.131 0.000 1.153 2036 P CA 0.950 63.758 63.100 -0.486 0.000 0.853 2036 P CB -0.004 31.289 31.700 -0.679 0.000 0.788 2037 D N -2.037 118.310 120.400 -0.088 0.000 2.117 2037 D HA -0.187 4.453 4.640 0.001 0.000 0.197 2037 D C 1.878 178.184 176.300 0.010 0.000 0.987 2037 D CA 1.112 55.093 54.000 -0.033 0.000 0.829 2037 D CB -0.965 39.822 40.800 -0.022 0.000 0.961 2037 D HN 0.177 nan 8.370 nan 0.000 0.460 2038 Y N 1.250 121.532 120.300 -0.029 0.000 2.145 2038 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 2038 Y C 2.258 178.165 175.900 0.013 0.000 1.145 2038 Y CA 1.150 59.250 58.100 -0.000 0.000 1.148 2038 Y CB -0.337 38.133 38.460 0.017 0.000 0.981 2038 Y HN -0.200 nan 8.280 nan 0.000 0.507 2039 V N -0.251 119.800 119.914 0.229 0.000 2.332 2039 V HA -0.300 3.821 4.120 0.001 0.000 0.248 2039 V C 2.230 178.345 176.094 0.035 0.000 1.055 2039 V CA 1.576 63.975 62.300 0.166 0.000 1.038 2039 V CB -0.767 31.172 31.823 0.194 0.000 0.651 2039 V HN 0.338 nan 8.190 nan 0.000 0.450 2040 L N 1.024 122.247 121.223 -0.001 0.000 2.362 2040 L HA 0.044 4.385 4.340 0.001 0.000 0.219 2040 L C 2.361 179.187 176.870 -0.074 0.000 1.134 2040 L CA 1.840 56.659 54.840 -0.035 0.000 0.807 2040 L CB -1.521 40.515 42.059 -0.039 0.000 0.927 2040 L HN 0.357 nan 8.230 nan 0.000 0.447 2041 G N -1.034 107.688 108.800 -0.130 0.000 2.598 2041 G HA2 -0.132 3.828 3.960 0.001 0.000 0.215 2041 G HA3 -0.132 3.828 3.960 0.001 0.000 0.215 2041 G C 0.944 175.751 174.900 -0.154 0.000 1.131 2041 G CA -0.250 44.746 45.100 -0.174 0.000 0.785 2041 G HN 0.261 nan 8.290 nan 0.000 0.539 2042 R N 0.299 120.728 120.500 -0.117 0.000 2.347 2042 R HA 0.261 4.601 4.340 0.001 0.000 0.304 2042 R C 0.726 177.004 176.300 -0.037 0.000 1.072 2042 R CA -0.607 55.455 56.100 -0.065 0.000 0.980 2042 R CB 1.040 31.330 30.300 -0.017 0.000 0.986 2042 R HN 0.026 nan 8.270 nan 0.000 0.448 2043 I N 1.923 122.481 120.570 -0.020 0.000 2.512 2043 I HA -0.025 4.145 4.170 0.001 0.000 0.247 2043 I C 1.470 177.609 176.117 0.036 0.000 1.094 2043 I CA 0.788 62.084 61.300 -0.006 0.000 1.427 2043 I CB -0.618 37.375 38.000 -0.012 0.000 1.149 2043 I HN 0.653 nan 8.210 nan 0.000 0.438 2044 R N 0.085 120.629 120.500 0.075 0.000 3.835 2044 R HA -0.220 4.121 4.340 0.001 0.000 0.455 2044 R C 0.729 177.133 176.300 0.174 0.000 0.241 2044 R CA 1.421 57.590 56.100 0.113 0.000 1.439 2044 R CB -2.270 28.070 30.300 0.066 0.000 0.987 2044 R HN 0.421 nan 8.270 nan 0.000 0.570 2045 G N -1.945 106.938 108.800 0.139 0.000 2.705 2045 G HA2 0.541 4.502 3.960 0.001 0.000 0.299 2045 G HA3 0.541 4.502 3.960 0.001 0.000 0.299 2045 G C 0.317 175.297 174.900 0.133 0.000 1.315 2045 G CA 0.182 45.387 45.100 0.175 0.000 1.045 2045 G HN 0.713 nan 8.290 nan 0.000 0.517 2046 G N -1.619 107.276 108.800 0.158 0.000 4.213 2046 G HA2 0.402 4.363 3.960 0.001 0.000 0.274 2046 G HA3 0.402 4.363 3.960 0.001 0.000 0.274 2046 G C -0.632 174.372 174.900 0.173 0.000 1.033 2046 G CA 0.105 45.288 45.100 0.139 0.000 0.822 2046 G HN 0.618 nan 8.290 nan 0.000 0.432 2047 V N 1.981 122.002 119.914 0.178 0.000 2.448 2047 V HA 0.568 4.688 4.120 0.001 0.000 0.295 2047 V C -0.323 175.858 176.094 0.145 0.000 1.025 2047 V CA -0.588 61.824 62.300 0.187 0.000 0.859 2047 V CB 1.676 33.636 31.823 0.228 0.000 0.988 2047 V HN 0.153 nan 8.190 nan 0.000 0.431 2048 L N 4.182 125.495 121.223 0.150 0.000 2.346 2048 L HA 0.608 4.948 4.340 0.001 0.000 0.274 2048 L C 0.218 177.134 176.870 0.078 0.000 1.007 2048 L CA -0.615 54.295 54.840 0.116 0.000 0.818 2048 L CB 2.287 44.434 42.059 0.147 0.000 1.284 2048 L HN 0.597 nan 8.230 nan 0.000 0.424 2049 E N 0.569 120.792 120.200 0.038 0.000 2.312 2049 E HA 0.060 4.410 4.350 0.001 0.000 0.259 2049 E C -0.050 176.537 176.600 -0.022 0.000 1.122 2049 E CA -0.491 55.907 56.400 -0.003 0.000 0.922 2049 E CB 1.083 30.770 29.700 -0.023 0.000 1.109 2049 E HN 0.401 nan 8.360 nan 0.000 0.442 2050 Q N 0.728 120.489 119.800 -0.066 0.000 2.230 2050 Q HA -0.052 4.289 4.340 0.001 0.000 0.202 2050 Q C 1.791 177.701 176.000 -0.151 0.000 0.963 2050 Q CA 1.726 57.477 55.803 -0.087 0.000 0.866 2050 Q CB -0.528 28.149 28.738 -0.102 0.000 0.931 2050 Q HN 0.790 nan 8.270 nan 0.000 0.452 2051 G N 0.310 108.955 108.800 -0.257 0.000 2.469 2051 G HA2 -0.289 3.672 3.960 0.001 0.000 0.219 2051 G HA3 -0.289 3.672 3.960 0.001 0.000 0.219 2051 G C 1.404 176.184 174.900 -0.200 0.000 1.150 2051 G CA 1.029 45.804 45.100 -0.541 0.000 0.763 2051 G HN 0.323 nan 8.290 nan 0.000 0.561 2052 M N 0.140 119.723 119.600 -0.028 0.000 2.200 2052 M HA -0.004 4.477 4.480 0.001 0.000 0.265 2052 M C 2.736 179.067 176.300 0.052 0.000 1.066 2052 M CA 0.752 56.091 55.300 0.066 0.000 1.127 2052 M CB -0.178 32.479 32.600 0.095 0.000 1.379 2052 M HN 0.163 nan 8.290 nan 0.000 0.420 2053 V N 0.521 120.451 119.914 0.028 0.000 2.343 2053 V HA -0.276 3.844 4.120 0.001 0.000 0.247 2053 V C 1.462 177.567 176.094 0.017 0.000 1.051 2053 V CA 2.034 64.354 62.300 0.033 0.000 1.036 2053 V CB -0.977 30.865 31.823 0.031 0.000 0.654 2053 V HN 0.388 nan 8.190 nan 0.000 0.451 2054 D N -0.125 120.271 120.400 -0.007 0.000 2.117 2054 D HA -0.128 4.512 4.640 0.001 0.000 0.198 2054 D C 1.893 178.206 176.300 0.021 0.000 0.982 2054 D CA 0.720 54.718 54.000 -0.005 0.000 0.828 2054 D CB -0.250 40.529 40.800 -0.035 0.000 0.967 2054 D HN 0.252 nan 8.370 nan 0.000 0.464 2055 L N 0.362 121.610 121.223 0.040 0.000 2.046 2055 L HA -0.105 4.235 4.340 0.001 0.000 0.208 2055 L C 1.762 178.658 176.870 0.043 0.000 1.077 2055 L CA 1.287 56.167 54.840 0.068 0.000 0.747 2055 L CB -0.516 41.619 42.059 0.127 0.000 0.896 2055 L HN 0.073 nan 8.230 nan 0.000 0.432 2056 L N -0.587 120.666 121.223 0.050 0.000 2.017 2056 L HA -0.189 4.151 4.340 0.001 0.000 0.208 2056 L C 2.745 179.635 176.870 0.033 0.000 1.073 2056 L CA 1.642 56.512 54.840 0.050 0.000 0.745 2056 L CB -1.036 41.068 42.059 0.074 0.000 0.894 2056 L HN 0.292 nan 8.230 nan 0.000 0.432 2057 R N -0.622 119.893 120.500 0.026 0.000 2.073 2057 R HA -0.200 4.141 4.340 0.001 0.000 0.234 2057 R C 2.110 178.419 176.300 0.014 0.000 1.134 2057 R CA 1.440 57.551 56.100 0.017 0.000 0.952 2057 R CB -0.307 30.000 30.300 0.011 0.000 0.850 2057 R HN 0.409 nan 8.270 nan 0.000 0.433 2058 E N 0.340 120.548 120.200 0.013 0.000 2.265 2058 E HA -0.151 4.200 4.350 0.001 0.000 0.196 2058 E C 1.180 177.769 176.600 -0.019 0.000 0.996 2058 E CA 1.015 57.418 56.400 0.005 0.000 0.832 2058 E CB 0.086 29.795 29.700 0.014 0.000 0.756 2058 E HN 0.388 nan 8.360 nan 0.000 0.491 2059 A N -0.351 122.459 122.820 -0.017 0.000 2.275 2059 A HA 0.326 4.647 4.320 0.001 0.000 0.212 2059 A C 1.528 179.111 177.584 -0.002 0.000 1.201 2059 A CA 0.672 52.691 52.037 -0.030 0.000 0.843 2059 A CB -0.104 18.881 19.000 -0.025 0.000 0.873 2059 A HN 0.400 nan 8.150 nan 0.000 0.492 2060 G N -1.801 107.005 108.800 0.010 0.000 2.141 2060 G HA2 -0.178 3.783 3.960 0.001 0.000 0.242 2060 G HA3 -0.178 3.783 3.960 0.001 0.000 0.242 2060 G C 0.534 175.447 174.900 0.023 0.000 0.982 2060 G CA 0.596 45.708 45.100 0.020 0.000 0.662 2060 G HN 1.084 nan 8.290 nan 0.000 0.527 2061 V N -0.302 119.629 119.914 0.027 0.000 6.997 2061 V HA 0.610 4.731 4.120 0.001 0.000 0.226 2061 V C 0.997 177.114 176.094 0.038 0.000 1.640 2061 V CA 1.215 63.538 62.300 0.038 0.000 0.738 2061 V CB 0.620 32.475 31.823 0.054 0.000 1.794 2061 V HN 0.310 nan 8.190 nan 0.000 0.334 2062 D N 0.651 121.084 120.400 0.055 0.000 3.350 2062 D HA -0.184 4.457 4.640 0.001 0.000 0.192 2062 D C 0.463 176.767 176.300 0.007 0.000 1.258 2062 D CA 1.424 55.443 54.000 0.033 0.000 0.762 2062 D CB -0.314 40.495 40.800 0.016 0.000 0.888 2062 D HN 0.695 nan 8.370 nan 0.000 0.415 2063 R N 0.648 121.156 120.500 0.014 0.000 2.565 2063 R HA 0.480 4.821 4.340 0.001 0.000 0.347 2063 R C 1.312 177.611 176.300 -0.002 0.000 1.010 2063 R CA 0.727 56.829 56.100 0.004 0.000 1.126 2063 R CB -0.270 30.038 30.300 0.014 0.000 1.331 2063 R HN 0.411 nan 8.270 nan 0.000 0.552 2064 R N -0.121 120.373 120.500 -0.010 0.000 2.664 2064 R HA 0.674 5.015 4.340 0.001 0.000 0.281 2064 R C 1.204 177.441 176.300 -0.105 0.000 1.383 2064 R CA 0.283 56.372 56.100 -0.019 0.000 1.563 2064 R CB -0.647 29.685 30.300 0.054 0.000 1.131 2064 R HN 0.738 nan 8.270 nan 0.000 0.599 2065 M N -0.379 119.163 119.600 -0.097 0.000 2.700 2065 M HA 0.470 4.951 4.480 0.001 0.000 0.249 2065 M C 1.762 177.978 176.300 -0.140 0.000 1.082 2065 M CA 1.979 57.198 55.300 -0.136 0.000 1.077 2065 M CB -0.862 31.680 32.600 -0.096 0.000 1.477 2065 M HN 0.967 nan 8.290 nan 0.000 0.529 2066 A N 0.039 122.799 122.820 -0.099 0.000 2.213 2066 A HA 0.829 5.150 4.320 0.001 0.000 0.220 2066 A C 1.470 179.036 177.584 -0.030 0.000 2.232 2066 A CA 1.097 53.096 52.037 -0.062 0.000 1.017 2066 A CB -0.404 18.580 19.000 -0.026 0.000 1.372 2066 A HN 1.044 nan 8.150 nan 0.000 0.614 2071 V N -1.898 117.977 119.914 -0.065 0.000 3.156 2071 V HA 0.855 4.975 4.120 0.001 0.000 0.311 2071 V C -0.094 175.999 176.094 -0.001 0.000 1.208 2071 V CA -0.987 61.260 62.300 -0.089 0.000 1.063 2071 V CB 1.999 33.825 31.823 0.004 0.000 1.098 2071 V HN 0.854 nan 8.190 nan 0.000 0.452 2072 H N 0.027 119.111 119.070 0.024 0.000 2.469 2072 H HA 0.752 5.308 4.556 0.001 0.000 0.342 2072 H C -0.842 174.521 175.328 0.058 0.000 1.115 2072 H CA -0.550 55.523 56.048 0.041 0.000 1.204 2072 H CB 1.996 31.773 29.762 0.024 0.000 1.492 2072 H HN 0.791 nan 8.280 nan 0.000 0.499 2073 E N 1.034 121.360 120.200 0.211 0.000 2.393 2073 E HA 0.368 4.718 4.350 0.001 0.000 0.273 2073 E C -0.451 176.226 176.600 0.129 0.000 0.918 2073 E CA -1.016 55.477 56.400 0.156 0.000 0.773 2073 E CB 2.617 32.409 29.700 0.154 0.000 1.275 2073 E HN 0.655 nan 8.360 nan 0.000 0.451 2074 G N 0.022 108.882 108.800 0.101 0.000 2.557 2074 G HA2 0.553 4.513 3.960 0.001 0.000 0.302 2074 G HA3 0.553 4.513 3.960 0.001 0.000 0.302 2074 G C -0.882 174.049 174.900 0.052 0.000 1.311 2074 G CA -0.346 44.795 45.100 0.068 0.000 1.030 2074 G HN 0.230 nan 8.290 nan 0.000 0.509 2075 V N -0.296 119.620 119.914 0.004 0.000 2.680 2075 V HA 0.565 4.686 4.120 0.001 0.000 0.309 2075 V C -0.470 175.648 176.094 0.040 0.000 1.052 2075 V CA -0.619 61.676 62.300 -0.009 0.000 0.908 2075 V CB 1.845 33.531 31.823 -0.230 0.000 1.001 2075 V HN 0.822 nan 8.190 nan 0.000 0.431 2076 E N 2.972 123.234 120.200 0.105 0.000 2.293 2076 E HA 0.653 5.003 4.350 0.001 0.000 0.270 2076 E C -1.673 175.033 176.600 0.176 0.000 0.879 2076 E CA -0.631 55.835 56.400 0.110 0.000 0.756 2076 E CB 2.316 32.065 29.700 0.082 0.000 1.208 2076 E HN 0.584 nan 8.360 nan 0.000 0.428 2077 I N 2.598 123.269 120.570 0.169 0.000 2.418 2077 I HA 0.476 4.647 4.170 0.001 0.000 0.287 2077 I C -0.476 175.784 176.117 0.238 0.000 1.008 2077 I CA -0.749 60.678 61.300 0.212 0.000 1.104 2077 I CB 1.800 39.906 38.000 0.177 0.000 1.264 2077 I HN 0.468 nan 8.210 nan 0.000 0.438 2078 A N 7.457 130.395 122.820 0.197 0.000 2.292 2078 A HA 0.891 5.212 4.320 0.001 0.000 0.319 2078 A C -0.866 176.872 177.584 0.258 0.000 1.206 2078 A CA -0.285 51.842 52.037 0.151 0.000 0.835 2078 A CB 0.523 19.556 19.000 0.054 0.000 1.164 2078 A HN 0.674 nan 8.150 nan 0.000 0.505 2079 F N -0.514 119.445 119.950 0.015 0.000 2.678 2079 F HA 0.637 5.165 4.527 0.001 0.000 0.308 2079 F C 0.306 176.100 175.800 -0.009 0.000 1.118 2079 F CA -0.484 57.518 58.000 0.002 0.000 0.959 2079 F CB 1.196 40.197 39.000 0.002 0.000 1.305 2079 F HN 1.576 nan 8.300 nan 0.000 0.443 2080 A N 2.076 124.911 122.820 0.025 0.000 2.154 2080 A HA 0.247 4.567 4.320 0.001 0.000 0.274 2080 A C 1.746 179.202 177.584 -0.213 0.000 1.373 2080 A CA 1.680 53.668 52.037 -0.083 0.000 0.751 2080 A CB -2.107 16.908 19.000 0.026 0.000 1.149 2080 A HN 2.998 nan 8.150 nan 0.000 0.337 2081 G N -1.012 107.697 108.800 -0.151 0.000 2.189 2081 G HA2 -0.284 3.677 3.960 0.001 0.000 0.267 2081 G HA3 -0.284 3.677 3.960 0.001 0.000 0.267 2081 G C 0.189 174.977 174.900 -0.186 0.000 0.975 2081 G CA 1.694 46.710 45.100 -0.139 0.000 0.644 2081 G HN 2.237 nan 8.290 nan 0.000 0.537 2082 Q N -1.180 118.430 119.800 -0.318 0.000 2.495 2082 Q HA 0.837 5.178 4.340 0.001 0.000 0.283 2082 Q C -0.597 175.274 176.000 -0.216 0.000 1.097 2082 Q CA -1.257 54.368 55.803 -0.296 0.000 0.836 2082 Q CB 1.491 29.978 28.738 -0.418 0.000 1.426 2082 Q HN 0.343 nan 8.270 nan 0.000 0.459 2083 R N 0.538 120.969 120.500 -0.115 0.000 2.502 2083 R HA 0.476 4.816 4.340 0.001 0.000 0.298 2083 R C -1.079 175.231 176.300 0.018 0.000 1.018 2083 R CA -0.863 55.226 56.100 -0.018 0.000 0.899 2083 R CB 1.713 32.009 30.300 -0.007 0.000 1.181 2083 R HN 0.431 nan 8.270 nan 0.000 0.444 2084 R N 2.706 123.260 120.500 0.089 0.000 2.343 2084 R HA 0.333 4.674 4.340 0.001 0.000 0.320 2084 R C -0.253 176.103 176.300 0.093 0.000 0.956 2084 R CA -0.824 55.338 56.100 0.104 0.000 0.836 2084 R CB 1.608 32.021 30.300 0.188 0.000 1.151 2084 R HN 0.532 nan 8.270 nan 0.000 0.450 2085 R N 3.097 123.635 120.500 0.063 0.000 2.410 2085 R HA 0.375 4.715 4.340 0.001 0.000 0.288 2085 R C -0.475 175.854 176.300 0.048 0.000 1.051 2085 R CA -0.431 55.702 56.100 0.054 0.000 1.021 2085 R CB 0.653 30.979 30.300 0.042 0.000 1.032 2085 R HN 0.568 nan 8.270 nan 0.000 0.481 2086 I N 4.207 124.799 120.570 0.036 0.000 2.307 2086 I HA 0.093 4.264 4.170 0.001 0.000 0.289 2086 I C -0.514 175.613 176.117 0.016 0.000 1.021 2086 I CA -0.570 60.745 61.300 0.025 0.000 1.224 2086 I CB 1.531 39.537 38.000 0.010 0.000 1.376 2086 I HN 0.507 nan 8.210 nan 0.000 0.470 2087 D N 8.023 128.434 120.400 0.018 0.000 2.482 2087 D HA 0.054 4.694 4.640 0.001 0.000 0.244 2087 D C 1.360 177.667 176.300 0.012 0.000 1.242 2087 D CA 0.220 54.228 54.000 0.015 0.000 1.097 2087 D CB 0.538 41.345 40.800 0.012 0.000 1.109 2087 D HN 0.496 nan 8.370 nan 0.000 0.510 2088 L N 1.003 122.234 121.223 0.014 0.000 2.012 2088 L HA -0.252 4.089 4.340 0.001 0.000 0.210 2088 L C 2.323 179.198 176.870 0.008 0.000 1.073 2088 L CA 1.369 56.220 54.840 0.017 0.000 0.748 2088 L CB -0.225 41.854 42.059 0.032 0.000 0.891 2088 L HN 0.187 nan 8.230 nan 0.000 0.431 2089 K N -0.563 119.839 120.400 0.003 0.000 2.002 2089 K HA -0.180 4.141 4.320 0.001 0.000 0.209 2089 K C 2.379 178.976 176.600 -0.005 0.000 1.048 2089 K CA 1.287 57.571 56.287 -0.006 0.000 0.930 2089 K CB -0.151 32.346 32.500 -0.004 0.000 0.714 2089 K HN 0.098 nan 8.250 nan 0.000 0.438 2090 R N 0.715 121.215 120.500 -0.001 0.000 2.075 2090 R HA -0.055 4.285 4.340 0.001 0.000 0.232 2090 R C 2.157 178.455 176.300 -0.004 0.000 1.126 2090 R CA 1.217 57.316 56.100 -0.002 0.000 0.963 2090 R CB -0.193 30.107 30.300 0.001 0.000 0.858 2090 R HN 0.199 nan 8.270 nan 0.000 0.435 2091 L N 0.145 121.367 121.223 -0.003 0.000 2.313 2091 L HA -0.039 4.301 4.340 0.001 0.000 0.214 2091 L C 1.839 178.703 176.870 -0.009 0.000 1.119 2091 L CA 1.029 55.866 54.840 -0.005 0.000 0.809 2091 L CB 0.005 42.064 42.059 -0.001 0.000 0.933 2091 L HN 0.179 nan 8.230 nan 0.000 0.449 2092 S N -1.141 114.553 115.700 -0.009 0.000 2.568 2092 S HA 0.302 4.773 4.470 0.001 0.000 0.232 2092 S C 1.178 175.766 174.600 -0.019 0.000 0.975 2092 S CA 0.168 58.359 58.200 -0.015 0.000 0.949 2092 S CB 0.599 63.792 63.200 -0.012 0.000 0.829 2092 S HN 0.422 nan 8.310 nan 0.000 0.479 2093 G N 0.433 109.223 108.800 -0.016 0.000 2.182 2093 G HA2 0.174 4.135 3.960 0.001 0.000 0.248 2093 G HA3 0.174 4.135 3.960 0.001 0.000 0.248 2093 G C 0.963 175.851 174.900 -0.019 0.000 1.042 2093 G CA 0.081 45.171 45.100 -0.017 0.000 0.775 2093 G HN 1.890 nan 8.290 nan 0.000 0.501 2094 G N -1.610 107.179 108.800 -0.019 0.000 2.141 2094 G HA2 -0.212 3.748 3.960 0.001 0.000 0.242 2094 G HA3 -0.212 3.748 3.960 0.001 0.000 0.242 2094 G C 0.303 175.180 174.900 -0.037 0.000 0.982 2094 G CA 1.087 46.173 45.100 -0.023 0.000 0.662 2094 G HN 0.999 nan 8.290 nan 0.000 0.527 2095 K N -0.440 119.936 120.400 -0.040 0.000 2.139 2095 K HA 0.803 5.123 4.320 0.001 0.000 0.243 2095 K C 0.059 176.621 176.600 -0.063 0.000 0.983 2095 K CA -0.113 56.138 56.287 -0.059 0.000 0.890 2095 K CB 1.962 34.431 32.500 -0.051 0.000 1.090 2095 K HN 0.133 nan 8.250 nan 0.000 0.445 2096 T N -0.663 113.827 114.554 -0.107 0.000 2.671 2096 T HA 0.489 4.840 4.350 0.001 0.000 0.300 2096 T C -1.601 173.044 174.700 -0.091 0.000 1.238 2096 T CA -0.709 61.330 62.100 -0.102 0.000 1.020 2096 T CB 1.265 70.018 68.868 -0.193 0.000 1.503 2096 T HN 0.404 nan 8.240 nan 0.000 0.497 2097 V N -0.415 119.497 119.914 -0.003 0.000 3.103 2097 V HA 0.955 5.076 4.120 0.001 0.000 0.318 2097 V C -0.467 175.696 176.094 0.114 0.000 1.114 2097 V CA -0.573 61.770 62.300 0.072 0.000 1.020 2097 V CB 1.613 33.566 31.823 0.217 0.000 1.085 2097 V HN 0.917 nan 8.190 nan 0.000 0.446 2098 T N 1.287 115.952 114.554 0.185 0.000 2.856 2098 T HA 0.589 4.939 4.350 0.001 0.000 0.283 2098 T C -0.759 174.079 174.700 0.230 0.000 1.008 2098 T CA -0.330 61.943 62.100 0.289 0.000 0.997 2098 T CB 1.740 70.755 68.868 0.247 0.000 0.992 2098 T HN 0.776 nan 8.240 nan 0.000 0.454 2099 V N 4.321 124.364 119.914 0.215 0.000 2.394 2099 V HA 0.662 4.783 4.120 0.001 0.000 0.282 2099 V C -1.604 174.659 176.094 0.281 0.000 1.031 2099 V CA -0.292 62.136 62.300 0.213 0.000 0.881 2099 V CB 0.962 32.887 31.823 0.169 0.000 0.982 2099 V HN 0.829 nan 8.190 nan 0.000 0.451 2100 Y N 4.366 124.713 120.300 0.079 0.000 2.299 2100 Y HA 0.528 5.078 4.550 0.001 0.000 0.318 2100 Y C 0.284 176.219 175.900 0.059 0.000 1.205 2100 Y CA -0.689 57.447 58.100 0.059 0.000 1.106 2100 Y CB 1.232 39.727 38.460 0.058 0.000 1.246 2100 Y HN 0.750 nan 8.280 nan 0.000 0.415 2101 G N 3.835 112.571 108.800 -0.108 0.000 2.414 2101 G HA2 0.064 4.025 3.960 0.001 0.000 0.236 2101 G HA3 0.064 4.025 3.960 0.001 0.000 0.236 2101 G C 0.637 175.407 174.900 -0.218 0.000 1.293 2101 G CA 0.089 45.109 45.100 -0.132 0.000 0.869 2101 G HN 0.889 nan 8.290 nan 0.000 0.556 2102 Q N 0.980 120.729 119.800 -0.084 0.000 2.181 2102 Q HA -0.150 4.190 4.340 0.001 0.000 0.205 2102 Q C 2.373 178.311 176.000 -0.104 0.000 0.980 2102 Q CA 1.974 57.737 55.803 -0.067 0.000 0.862 2102 Q CB -0.120 28.618 28.738 0.000 0.000 0.905 2102 Q HN 0.663 nan 8.270 nan 0.000 0.429 2103 T N 0.585 115.073 114.554 -0.110 0.000 2.746 2103 T HA -0.153 4.198 4.350 0.001 0.000 0.267 2103 T C 1.296 175.906 174.700 -0.151 0.000 1.039 2103 T CA 1.636 63.674 62.100 -0.102 0.000 1.142 2103 T CB -0.139 68.677 68.868 -0.087 0.000 0.866 2103 T HN 0.382 nan 8.240 nan 0.000 0.444 2104 E N 0.658 120.691 120.200 -0.277 0.000 2.072 2104 E HA -0.029 4.322 4.350 0.001 0.000 0.191 2104 E C 2.358 178.747 176.600 -0.350 0.000 0.985 2104 E CA 0.459 56.637 56.400 -0.369 0.000 0.801 2104 E CB -0.612 28.687 29.700 -0.669 0.000 0.750 2104 E HN 0.207 nan 8.360 nan 0.000 0.452 2105 V N 0.957 120.621 119.914 -0.416 0.000 2.287 2105 V HA -0.311 3.809 4.120 0.001 0.000 0.248 2105 V C 2.134 178.206 176.094 -0.036 0.000 1.053 2105 V CA 2.327 64.549 62.300 -0.130 0.000 1.027 2105 V CB -0.874 30.920 31.823 -0.048 0.000 0.646 2105 V HN 0.366 nan 8.190 nan 0.000 0.447 2106 T N -0.479 114.046 114.554 -0.049 0.000 2.777 2106 T HA -0.218 4.133 4.350 0.001 0.000 0.266 2106 T C 2.031 176.733 174.700 0.004 0.000 1.040 2106 T CA 1.672 63.770 62.100 -0.004 0.000 1.141 2106 T CB -0.277 68.591 68.868 0.001 0.000 0.868 2106 T HN 0.400 nan 8.240 nan 0.000 0.444 2107 R N 0.862 121.350 120.500 -0.020 0.000 2.115 2107 R HA -0.122 4.219 4.340 0.001 0.000 0.230 2107 R C 1.685 177.992 176.300 0.012 0.000 1.111 2107 R CA 1.499 57.595 56.100 -0.008 0.000 0.976 2107 R CB -0.197 30.088 30.300 -0.026 0.000 0.870 2107 R HN 0.263 nan 8.270 nan 0.000 0.445 2108 D N 0.717 121.129 120.400 0.021 0.000 2.097 2108 D HA -0.143 4.497 4.640 0.001 0.000 0.197 2108 D C 1.981 178.309 176.300 0.047 0.000 0.984 2108 D CA 1.145 55.179 54.000 0.056 0.000 0.826 2108 D CB -0.190 40.678 40.800 0.114 0.000 0.973 2108 D HN 0.240 nan 8.370 nan 0.000 0.460 2109 L N -0.047 121.203 121.223 0.044 0.000 2.131 2109 L HA -0.102 4.238 4.340 0.001 0.000 0.210 2109 L C 2.526 179.416 176.870 0.033 0.000 1.092 2109 L CA 0.748 55.610 54.840 0.037 0.000 0.759 2109 L CB -0.305 41.776 42.059 0.037 0.000 0.903 2109 L HN 0.014 nan 8.230 nan 0.000 0.435 2110 M N -0.844 118.781 119.600 0.041 0.000 2.229 2110 M HA -0.191 4.289 4.480 0.001 0.000 0.264 2110 M C 2.076 178.397 176.300 0.035 0.000 1.063 2110 M CA 1.650 56.983 55.300 0.054 0.000 1.114 2110 M CB -0.267 32.369 32.600 0.061 0.000 1.387 2110 M HN 0.208 nan 8.290 nan 0.000 0.420 2111 E N 0.290 120.506 120.200 0.026 0.000 2.072 2111 E HA -0.091 4.260 4.350 0.001 0.000 0.190 2111 E C 2.130 178.738 176.600 0.012 0.000 0.982 2111 E CA 1.065 57.476 56.400 0.019 0.000 0.803 2111 E CB -0.117 29.596 29.700 0.021 0.000 0.755 2111 E HN 0.492 nan 8.360 nan 0.000 0.453 2112 A N 1.455 124.283 122.820 0.013 0.000 1.933 2112 A HA -0.196 4.125 4.320 0.001 0.000 0.218 2112 A C 2.084 179.653 177.584 -0.026 0.000 1.175 2112 A CA 1.438 53.476 52.037 0.002 0.000 0.628 2112 A CB -0.366 18.640 19.000 0.010 0.000 0.814 2112 A HN 0.053 nan 8.150 nan 0.000 0.444 2113 R N -0.404 120.081 120.500 -0.026 0.000 2.062 2113 R HA -0.123 4.218 4.340 0.001 0.000 0.229 2113 R C 2.240 178.507 176.300 -0.056 0.000 1.128 2113 R CA 1.550 57.613 56.100 -0.062 0.000 0.960 2113 R CB -0.291 29.990 30.300 -0.031 0.000 0.855 2113 R HN 0.690 nan 8.270 nan 0.000 0.432 2114 E N -0.162 120.031 120.200 -0.012 0.000 2.110 2114 E HA -0.187 4.164 4.350 0.001 0.000 0.193 2114 E C 1.459 178.052 176.600 -0.012 0.000 0.988 2114 E CA 1.191 57.590 56.400 -0.001 0.000 0.804 2114 E CB -0.059 29.650 29.700 0.015 0.000 0.745 2114 E HN 0.479 nan 8.360 nan 0.000 0.458 2115 A N -0.244 122.567 122.820 -0.014 0.000 2.168 2115 A HA -0.078 4.242 4.320 0.001 0.000 0.215 2115 A C 2.023 179.596 177.584 -0.018 0.000 1.152 2115 A CA 0.708 52.740 52.037 -0.008 0.000 0.716 2115 A CB -0.270 18.731 19.000 0.001 0.000 0.794 2115 A HN 0.440 nan 8.150 nan 0.000 0.465 2116 C N -1.838 117.424 119.300 -0.064 0.000 2.926 2116 C HA 0.441 4.902 4.460 0.001 0.000 0.272 2116 C C 2.076 177.012 174.990 -0.089 0.000 1.249 2116 C CA 0.155 59.108 59.018 -0.108 0.000 1.691 2116 C CB -0.843 26.672 27.740 -0.374 0.000 1.983 2116 C HN 0.952 nan 8.230 nan 0.000 0.615 2117 G N 1.204 109.970 108.800 -0.056 0.000 2.175 2117 G HA2 -0.174 3.787 3.960 0.001 0.000 0.265 2117 G HA3 -0.174 3.787 3.960 0.001 0.000 0.265 2117 G C 0.317 175.194 174.900 -0.038 0.000 0.979 2117 G CA 0.509 45.594 45.100 -0.025 0.000 0.663 2117 G HN 0.939 nan 8.290 nan 0.000 0.533 2118 A N -0.288 122.466 122.820 -0.109 0.000 2.492 2118 A HA 0.562 4.883 4.320 0.001 0.000 0.236 2118 A C 0.905 178.465 177.584 -0.039 0.000 1.078 2118 A CA 1.283 53.260 52.037 -0.100 0.000 0.773 2118 A CB 0.221 19.099 19.000 -0.203 0.000 1.023 2118 A HN 0.845 nan 8.150 nan 0.000 0.504 2119 T N 2.146 116.689 114.554 -0.020 0.000 2.761 2119 T HA 0.493 4.843 4.350 0.001 0.000 0.296 2119 T C -0.141 174.532 174.700 -0.046 0.000 0.934 2119 T CA 0.356 62.449 62.100 -0.013 0.000 1.091 2119 T CB 0.374 69.245 68.868 0.004 0.000 0.896 2119 T HN 0.615 nan 8.240 nan 0.000 0.515 2120 T N 2.943 117.470 114.554 -0.046 0.000 2.879 2120 T HA 0.404 4.754 4.350 0.001 0.000 0.290 2120 T C -0.387 174.226 174.700 -0.145 0.000 0.993 2120 T CA -0.563 61.449 62.100 -0.148 0.000 0.975 2120 T CB 1.302 70.071 68.868 -0.164 0.000 0.981 2120 T HN 0.315 nan 8.240 nan 0.000 0.439 2121 V N 4.658 124.429 119.914 -0.238 0.000 2.318 2121 V HA 0.369 4.490 4.120 0.001 0.000 0.271 2121 V C -0.662 175.290 176.094 -0.237 0.000 1.030 2121 V CA -0.810 61.397 62.300 -0.154 0.000 0.844 2121 V CB -0.360 31.358 31.823 -0.174 0.000 1.015 2121 V HN 0.778 nan 8.190 nan 0.000 0.460 2122 Y N 2.229 122.516 120.300 -0.022 0.000 2.295 2122 Y HA 0.269 4.820 4.550 0.001 0.000 0.331 2122 Y C 1.306 177.205 175.900 -0.002 0.000 1.311 2122 Y CA -0.207 57.883 58.100 -0.016 0.000 1.430 2122 Y CB 0.496 38.957 38.460 0.002 0.000 1.339 2122 Y HN 0.619 nan 8.280 nan 0.000 0.552 2123 Q N -0.779 119.123 119.800 0.170 0.000 2.453 2123 Q HA -0.227 4.114 4.340 0.001 0.000 0.294 2123 Q C -0.767 175.281 176.000 0.081 0.000 1.295 2123 Q CA 0.363 56.223 55.803 0.095 0.000 0.853 2123 Q CB -1.412 27.386 28.738 0.098 0.000 1.193 2123 Q HN 0.604 nan 8.270 nan 0.000 0.461 2124 A N 0.236 123.074 122.820 0.031 0.000 2.316 2124 A HA 0.688 5.009 4.320 0.001 0.000 0.311 2124 A C 0.389 178.017 177.584 0.073 0.000 1.339 2124 A CA 0.386 52.456 52.037 0.054 0.000 0.960 2124 A CB 0.524 19.388 19.000 -0.227 0.000 1.152 2124 A HN 0.482 nan 8.150 nan 0.000 0.547 2125 A N 2.140 125.042 122.820 0.137 0.000 2.269 2125 A HA 0.686 5.007 4.320 0.001 0.000 0.319 2125 A C 0.566 178.219 177.584 0.116 0.000 1.110 2125 A CA -0.322 51.768 52.037 0.087 0.000 0.847 2125 A CB 0.056 19.093 19.000 0.062 0.000 1.161 2125 A HN 1.073 nan 8.150 nan 0.000 0.497 2126 E N -0.837 119.403 120.200 0.066 0.000 2.269 2126 E HA -0.136 4.214 4.350 0.001 0.000 0.223 2126 E C -0.342 176.316 176.600 0.097 0.000 1.244 2126 E CA 0.699 57.137 56.400 0.064 0.000 0.713 2126 E CB -1.646 28.091 29.700 0.062 0.000 1.178 2126 E HN 0.498 nan 8.360 nan 0.000 0.370 2127 V N 1.122 121.085 119.914 0.082 0.000 2.673 2127 V HA 0.134 4.255 4.120 0.001 0.000 0.303 2127 V C 0.825 176.942 176.094 0.037 0.000 1.046 2127 V CA 0.580 62.936 62.300 0.093 0.000 1.126 2127 V CB 0.929 32.764 31.823 0.021 0.000 0.934 2127 V HN 0.193 nan 8.190 nan 0.000 0.487 2128 R N 3.777 124.301 120.500 0.040 0.000 2.651 2128 R HA 0.563 4.904 4.340 0.001 0.000 0.278 2128 R C -1.594 174.547 176.300 -0.265 0.000 1.010 2128 R CA -0.931 55.099 56.100 -0.116 0.000 0.896 2128 R CB 1.932 32.172 30.300 -0.100 0.000 1.211 2128 R HN 0.382 nan 8.270 nan 0.000 0.456 2129 L N 3.119 124.103 121.223 -0.399 0.000 2.334 2129 L HA 0.512 4.853 4.340 0.001 0.000 0.275 2129 L C 0.136 176.565 176.870 -0.736 0.000 1.036 2129 L CA -0.280 54.330 54.840 -0.384 0.000 0.807 2129 L CB 0.852 42.792 42.059 -0.198 0.000 1.231 2129 L HN 0.430 nan 8.230 nan 0.000 0.438 2130 H N 1.279 120.119 119.070 -0.382 0.000 2.851 2130 H HA 0.195 4.751 4.556 0.001 0.000 0.372 2130 H C -0.716 174.364 175.328 -0.413 0.000 1.158 2130 H CA -0.663 55.069 56.048 -0.526 0.000 1.159 2130 H CB 1.968 31.003 29.762 -1.212 0.000 1.757 2130 H HN 0.567 nan 8.280 nan 0.000 0.546 2131 D N 1.736 122.076 120.400 -0.101 0.000 2.699 2131 D HA -0.168 4.472 4.640 0.001 0.000 0.239 2131 D C 0.711 176.989 176.300 -0.036 0.000 1.136 2131 D CA 0.315 54.297 54.000 -0.030 0.000 0.668 2131 D CB -1.036 39.787 40.800 0.038 0.000 1.060 2131 D HN 0.564 nan 8.370 nan 0.000 0.429 2132 L N -0.225 120.971 121.223 -0.045 0.000 2.265 2132 L HA -0.174 4.167 4.340 0.001 0.000 0.215 2132 L C 2.335 179.147 176.870 -0.097 0.000 1.117 2132 L CA 0.970 55.776 54.840 -0.056 0.000 0.782 2132 L CB -0.318 41.738 42.059 -0.005 0.000 0.914 2132 L HN 0.274 nan 8.230 nan 0.000 0.441 2133 Q N -0.113 119.639 119.800 -0.080 0.000 2.408 2133 Q HA 0.142 4.483 4.340 0.001 0.000 0.205 2133 Q C 1.170 177.138 176.000 -0.054 0.000 0.919 2133 Q CA 0.452 56.195 55.803 -0.100 0.000 0.932 2133 Q CB 0.262 28.956 28.738 -0.074 0.000 1.058 2133 Q HN 0.439 nan 8.270 nan 0.000 0.517 2134 G N 0.709 109.491 108.800 -0.029 0.000 2.588 2134 G HA2 0.067 4.028 3.960 0.001 0.000 0.278 2134 G HA3 0.067 4.028 3.960 0.001 0.000 0.278 2134 G C 0.560 175.444 174.900 -0.028 0.000 1.307 2134 G CA -0.331 44.762 45.100 -0.012 0.000 1.016 2134 G HN 0.044 nan 8.290 nan 0.000 0.503 2135 E N -0.599 119.588 120.200 -0.023 0.000 2.385 2135 E HA 0.017 4.367 4.350 0.001 0.000 0.194 2135 E C 0.663 177.232 176.600 -0.053 0.000 1.013 2135 E CA 0.344 56.715 56.400 -0.049 0.000 0.866 2135 E CB 0.494 30.173 29.700 -0.035 0.000 0.832 2135 E HN 0.263 nan 8.360 nan 0.000 0.500 2136 R N 2.021 122.519 120.500 -0.002 0.000 2.724 2136 R HA 0.229 4.569 4.340 0.001 0.000 0.284 2136 R C -2.463 173.904 176.300 0.112 0.000 1.481 2136 R CA -1.454 54.666 56.100 0.033 0.000 1.652 2136 R CB 1.035 31.359 30.300 0.041 0.000 1.175 2136 R HN 0.059 nan 8.270 nan 0.000 0.613 2137 P HA 0.050 nan 4.420 nan 0.000 0.274 2137 P C -1.152 176.269 177.300 0.202 0.000 1.237 2137 P CA 0.053 63.203 63.100 0.083 0.000 0.793 2137 P CB 0.639 32.341 31.700 0.004 0.000 0.977 2138 Y N -1.857 118.504 120.300 0.101 0.000 2.638 2138 Y HA 0.669 5.220 4.550 0.001 0.000 0.335 2138 Y C -1.632 174.404 175.900 0.227 0.000 1.155 2138 Y CA -1.455 56.720 58.100 0.125 0.000 1.046 2138 Y CB 0.637 39.142 38.460 0.076 0.000 1.303 2138 Y HN 0.088 nan 8.280 nan 0.000 0.460 2139 V N 1.986 122.129 119.914 0.382 0.000 2.555 2139 V HA 0.693 4.814 4.120 0.001 0.000 0.302 2139 V C -0.315 176.080 176.094 0.502 0.000 1.038 2139 V CA -0.325 62.184 62.300 0.347 0.000 0.887 2139 V CB 1.767 33.727 31.823 0.230 0.000 0.991 2139 V HN 1.003 nan 8.190 nan 0.000 0.434 2140 T N 1.810 116.660 114.554 0.494 0.000 2.888 2140 T HA 0.918 5.269 4.350 0.001 0.000 0.284 2140 T C -0.763 174.179 174.700 0.404 0.000 1.017 2140 T CA -0.551 61.777 62.100 0.380 0.000 1.022 2140 T CB 1.821 70.886 68.868 0.329 0.000 1.013 2140 T HN 0.786 nan 8.240 nan 0.000 0.465 2141 F N -1.385 118.621 119.950 0.094 0.000 2.817 2141 F HA 0.815 5.342 4.527 0.001 0.000 0.317 2141 F C -1.480 174.345 175.800 0.042 0.000 1.168 2141 F CA -1.357 56.677 58.000 0.056 0.000 0.911 2141 F CB 1.270 40.294 39.000 0.039 0.000 1.337 2141 F HN 0.553 nan 8.300 nan 0.000 0.464 2142 E N 0.895 121.196 120.200 0.167 0.000 2.210 2142 E HA 0.509 4.859 4.350 0.001 0.000 0.266 2142 E C -1.401 175.295 176.600 0.160 0.000 0.883 2142 E CA -1.032 55.394 56.400 0.044 0.000 0.761 2142 E CB 2.508 32.233 29.700 0.040 0.000 1.156 2142 E HN 0.561 nan 8.360 nan 0.000 0.412 2143 R N 2.770 123.326 120.500 0.094 0.000 2.451 2143 R HA 0.126 4.467 4.340 0.001 0.000 0.307 2143 R C -1.319 175.021 176.300 0.067 0.000 0.965 2143 R CA -0.553 55.633 56.100 0.142 0.000 0.865 2143 R CB 0.489 30.922 30.300 0.221 0.000 1.174 2143 R HN 0.715 nan 8.270 nan 0.000 0.455 2144 D N 2.914 123.351 120.400 0.061 0.000 2.802 2144 D HA -0.211 4.429 4.640 0.001 0.000 0.229 2144 D C 0.720 177.032 176.300 0.019 0.000 1.203 2144 D CA 1.418 55.441 54.000 0.038 0.000 0.712 2144 D CB -1.270 39.553 40.800 0.038 0.000 0.973 2144 D HN 0.945 nan 8.370 nan 0.000 0.407 2145 G N -0.126 108.683 108.800 0.014 0.000 2.363 2145 G HA2 -0.341 3.620 3.960 0.001 0.000 0.238 2145 G HA3 -0.341 3.620 3.960 0.001 0.000 0.238 2145 G C 0.075 174.965 174.900 -0.017 0.000 1.062 2145 G CA 0.295 45.395 45.100 0.000 0.000 0.629 2145 G HN 0.981 nan 8.290 nan 0.000 0.514 2146 E N 0.772 120.955 120.200 -0.029 0.000 2.266 2146 E HA 0.643 4.994 4.350 0.001 0.000 0.277 2146 E C -0.010 176.522 176.600 -0.115 0.000 1.018 2146 E CA -1.000 55.363 56.400 -0.062 0.000 0.840 2146 E CB 1.484 31.146 29.700 -0.064 0.000 1.082 2146 E HN 0.278 nan 8.360 nan 0.000 0.395 2147 R N 3.403 123.827 120.500 -0.127 0.000 2.234 2147 R HA 0.277 4.618 4.340 0.001 0.000 0.324 2147 R C -1.065 175.065 176.300 -0.284 0.000 1.054 2147 R CA -0.107 55.881 56.100 -0.186 0.000 0.912 2147 R CB 0.153 30.386 30.300 -0.111 0.000 1.030 2147 R HN 0.622 nan 8.270 nan 0.000 0.455 2148 L N 3.789 124.677 121.223 -0.559 0.000 2.332 2148 L HA 0.649 4.989 4.340 0.001 0.000 0.269 2148 L C 0.244 176.767 176.870 -0.579 0.000 1.016 2148 L CA -1.191 53.244 54.840 -0.675 0.000 0.809 2148 L CB 1.813 43.218 42.059 -1.091 0.000 1.280 2148 L HN 0.574 nan 8.230 nan 0.000 0.447 2149 R N 1.269 121.611 120.500 -0.263 0.000 2.686 2149 R HA 0.628 4.968 4.340 0.001 0.000 0.283 2149 R C -1.875 174.515 176.300 0.151 0.000 0.978 2149 R CA -0.755 55.334 56.100 -0.018 0.000 0.897 2149 R CB 2.192 32.446 30.300 -0.077 0.000 1.192 2149 R HN 0.413 nan 8.270 nan 0.000 0.457 2150 L N 3.668 125.070 121.223 0.298 0.000 2.372 2150 L HA 0.444 4.784 4.340 0.001 0.000 0.273 2150 L C -1.460 175.545 176.870 0.224 0.000 0.989 2150 L CA -0.389 54.608 54.840 0.262 0.000 0.841 2150 L CB 1.628 43.870 42.059 0.306 0.000 1.225 2150 L HN 0.566 nan 8.230 nan 0.000 0.414 2151 D N 4.165 124.654 120.400 0.148 0.000 2.264 2151 D HA 0.635 5.276 4.640 0.001 0.000 0.249 2151 D C -0.223 176.147 176.300 0.116 0.000 1.070 2151 D CA 0.153 54.235 54.000 0.137 0.000 0.912 2151 D CB 1.475 42.312 40.800 0.062 0.000 1.193 2151 D HN 0.815 nan 8.370 nan 0.000 0.427 2152 C N -0.581 118.783 119.300 0.107 0.000 3.320 2152 C HA 0.438 4.899 4.460 0.001 0.000 0.335 2152 C C 0.450 175.448 174.990 0.014 0.000 1.430 2152 C CA -0.679 58.387 59.018 0.081 0.000 1.271 2152 C CB 1.345 29.150 27.740 0.108 0.000 1.609 2152 C HN 0.488 nan 8.230 nan 0.000 0.457 2153 D N -0.655 119.724 120.400 -0.036 0.000 2.262 2153 D HA 0.207 4.848 4.640 0.001 0.000 0.212 2153 D C -0.377 175.540 176.300 -0.639 0.000 0.964 2153 D CA 1.647 55.445 54.000 -0.337 0.000 0.875 2153 D CB 0.176 40.770 40.800 -0.344 0.000 0.996 2153 D HN 0.668 nan 8.370 nan 0.000 0.497 2154 Y N -0.668 119.715 120.300 0.137 0.000 2.588 2154 Y HA 0.501 5.052 4.550 0.001 0.000 0.343 2154 Y C -0.403 175.580 175.900 0.139 0.000 1.065 2154 Y CA -0.968 57.227 58.100 0.159 0.000 1.038 2154 Y CB 1.873 40.460 38.460 0.211 0.000 1.297 2154 Y HN -0.347 nan 8.280 nan 0.000 0.467 2155 I N 1.886 122.637 120.570 0.301 0.000 2.465 2155 I HA 0.708 4.878 4.170 0.001 0.000 0.291 2155 I C -0.685 175.552 176.117 0.200 0.000 1.014 2155 I CA -0.992 60.415 61.300 0.179 0.000 1.093 2155 I CB 1.850 39.899 38.000 0.083 0.000 1.267 2155 I HN 0.720 nan 8.210 nan 0.000 0.431 2156 A N 4.454 127.364 122.820 0.149 0.000 2.271 2156 A HA 0.714 5.035 4.320 0.001 0.000 0.317 2156 A C 0.221 177.848 177.584 0.073 0.000 1.245 2156 A CA -0.534 51.580 52.037 0.128 0.000 0.857 2156 A CB 0.774 19.829 19.000 0.091 0.000 1.175 2156 A HN 0.857 nan 8.150 nan 0.000 0.512 2157 G N 0.786 109.626 108.800 0.067 0.000 2.457 2157 G HA2 0.425 4.385 3.960 0.001 0.000 0.316 2157 G HA3 0.425 4.385 3.960 0.001 0.000 0.316 2157 G C -0.031 174.891 174.900 0.037 0.000 1.030 2157 G CA -0.170 44.951 45.100 0.034 0.000 1.073 2157 G HN 0.744 nan 8.290 nan 0.000 0.430 2158 C N 2.923 122.236 119.300 0.021 0.000 2.557 2158 C HA 0.210 4.670 4.460 0.001 0.000 0.281 2158 C C 0.816 175.809 174.990 0.004 0.000 1.490 2158 C CA -0.961 58.069 59.018 0.020 0.000 1.771 2158 C CB -0.630 27.124 27.740 0.023 0.000 2.887 2158 C HN 0.823 nan 8.230 nan 0.000 0.527 2159 D N -0.155 120.243 120.400 -0.005 0.000 2.427 2159 D HA 0.362 5.003 4.640 0.001 0.000 0.224 2159 D C 1.035 177.330 176.300 -0.007 0.000 1.157 2159 D CA 0.447 54.441 54.000 -0.010 0.000 0.828 2159 D CB -0.132 40.654 40.800 -0.023 0.000 0.974 2159 D HN 0.504 nan 8.370 nan 0.000 0.498 2160 G N 0.342 109.139 108.800 -0.005 0.000 2.796 2160 G HA2 -0.339 3.621 3.960 0.001 0.000 0.226 2160 G HA3 -0.339 3.621 3.960 0.001 0.000 0.226 2160 G C 0.221 175.114 174.900 -0.013 0.000 1.381 2160 G CA -0.258 44.846 45.100 0.006 0.000 0.867 2160 G HN 0.120 nan 8.290 nan 0.000 0.552 2161 F N 0.534 120.353 119.950 -0.218 0.000 2.161 2161 F HA 0.002 4.529 4.527 0.001 0.000 0.300 2161 F C 2.185 177.708 175.800 -0.461 0.000 1.089 2161 F CA 2.569 60.324 58.000 -0.408 0.000 1.282 2161 F CB -0.203 38.475 39.000 -0.535 0.000 1.010 2161 F HN 0.512 nan 8.300 nan 0.000 0.485 2162 H N -0.767 118.154 119.070 -0.248 0.000 2.503 2162 H HA 0.341 4.897 4.556 0.001 0.000 0.296 2162 H C 1.073 176.288 175.328 -0.187 0.000 1.097 2162 H CA -0.170 55.690 56.048 -0.314 0.000 1.055 2162 H CB -0.365 29.276 29.762 -0.202 0.000 1.580 2162 H HN 0.213 nan 8.280 nan 0.000 0.546 2163 G N 0.047 108.797 108.800 -0.084 0.000 2.621 2163 G HA2 0.094 4.055 3.960 0.001 0.000 0.271 2163 G HA3 0.094 4.055 3.960 0.001 0.000 0.271 2163 G C 0.734 175.593 174.900 -0.068 0.000 1.236 2163 G CA -0.336 44.731 45.100 -0.054 0.000 0.958 2163 G HN 0.359 nan 8.290 nan 0.000 0.512 2164 I N -0.330 120.206 120.570 -0.056 0.000 3.228 2164 I HA 0.019 4.189 4.170 0.001 0.000 0.279 2164 I C 2.707 178.786 176.117 -0.064 0.000 1.221 2164 I CA 1.409 62.672 61.300 -0.062 0.000 1.458 2164 I CB 0.080 38.047 38.000 -0.056 0.000 1.105 2164 I HN 0.477 nan 8.210 nan 0.000 0.445 2165 S N 0.649 116.318 115.700 -0.052 0.000 2.368 2165 S HA -0.242 4.228 4.470 0.001 0.000 0.224 2165 S C 2.331 176.908 174.600 -0.038 0.000 1.029 2165 S CA 1.237 59.411 58.200 -0.043 0.000 0.988 2165 S CB -0.704 62.483 63.200 -0.022 0.000 0.838 2165 S HN 0.554 nan 8.310 nan 0.000 0.462 2166 R N 0.605 121.085 120.500 -0.033 0.000 2.152 2166 R HA 0.010 4.350 4.340 0.001 0.000 0.232 2166 R C 1.631 177.909 176.300 -0.037 0.000 1.117 2166 R CA 1.217 57.309 56.100 -0.013 0.000 0.981 2166 R CB -0.171 30.133 30.300 0.008 0.000 0.870 2166 R HN 0.375 nan 8.270 nan 0.000 0.451 2167 Q N -0.383 119.381 119.800 -0.060 0.000 2.482 2167 Q HA 0.066 4.407 4.340 0.001 0.000 0.209 2167 Q C 0.815 176.770 176.000 -0.076 0.000 0.961 2167 Q CA 0.595 56.358 55.803 -0.067 0.000 0.945 2167 Q CB 0.881 29.574 28.738 -0.075 0.000 1.012 2167 Q HN 0.209 nan 8.270 nan 0.000 0.515 2168 S N -0.328 115.325 115.700 -0.079 0.000 2.539 2168 S HA 0.283 4.753 4.470 0.001 0.000 0.221 2168 S C 0.683 175.219 174.600 -0.106 0.000 0.987 2168 S CA -0.242 57.902 58.200 -0.093 0.000 0.929 2168 S CB 0.643 63.783 63.200 -0.099 0.000 0.832 2168 S HN 0.224 nan 8.310 nan 0.000 0.492 2169 I N 3.188 123.683 120.570 -0.125 0.000 2.331 2169 I HA 0.284 4.455 4.170 0.001 0.000 0.292 2169 I C -2.591 173.376 176.117 -0.249 0.000 0.998 2169 I CA -2.578 58.578 61.300 -0.241 0.000 1.267 2169 I CB 1.025 38.914 38.000 -0.185 0.000 1.386 2169 I HN -0.166 nan 8.210 nan 0.000 0.476 2170 P HA -0.071 nan 4.420 nan 0.000 0.258 2170 P C 0.574 177.778 177.300 -0.161 0.000 1.172 2170 P CA 0.215 63.188 63.100 -0.212 0.000 0.762 2170 P CB 0.798 32.366 31.700 -0.220 0.000 0.764 2171 A N 4.848 127.608 122.820 -0.101 0.000 1.896 2171 A HA -0.295 4.025 4.320 0.001 0.000 0.220 2171 A C 1.791 179.334 177.584 -0.068 0.000 1.206 2171 A CA 1.797 53.790 52.037 -0.072 0.000 0.647 2171 A CB -1.049 17.919 19.000 -0.053 0.000 0.828 2171 A HN 0.644 nan 8.150 nan 0.000 0.455 2172 E N -1.004 119.157 120.200 -0.064 0.000 2.401 2172 E HA -0.156 4.195 4.350 0.001 0.000 0.199 2172 E C 1.779 178.351 176.600 -0.047 0.000 1.023 2172 E CA 0.407 56.776 56.400 -0.051 0.000 0.859 2172 E CB -0.085 29.592 29.700 -0.039 0.000 0.780 2172 E HN 0.365 nan 8.360 nan 0.000 0.523 2173 R N -0.007 120.453 120.500 -0.067 0.000 2.246 2173 R HA 0.157 4.497 4.340 0.001 0.000 0.199 2173 R C 0.742 177.030 176.300 -0.021 0.000 0.984 2173 R CA 0.329 56.403 56.100 -0.043 0.000 1.015 2173 R CB 0.081 30.323 30.300 -0.098 0.000 0.930 2173 R HN 0.147 nan 8.270 nan 0.000 0.475 2174 L N 0.895 122.095 121.223 -0.038 0.000 2.334 2174 L HA 0.418 4.759 4.340 0.001 0.000 0.276 2174 L C 0.135 176.976 176.870 -0.048 0.000 1.014 2174 L CA -0.667 54.162 54.840 -0.019 0.000 0.815 2174 L CB 1.931 43.981 42.059 -0.014 0.000 1.268 2174 L HN -0.231 nan 8.230 nan 0.000 0.428 2175 K N 2.060 122.431 120.400 -0.047 0.000 2.235 2175 K HA 0.587 4.908 4.320 0.001 0.000 0.266 2175 K C -1.411 175.021 176.600 -0.279 0.000 0.980 2175 K CA -0.536 55.641 56.287 -0.184 0.000 0.849 2175 K CB 1.838 34.243 32.500 -0.159 0.000 1.098 2175 K HN 0.346 nan 8.250 nan 0.000 0.445 2176 V N 5.449 125.117 119.914 -0.410 0.000 2.459 2176 V HA 0.462 4.583 4.120 0.001 0.000 0.295 2176 V C -0.836 174.916 176.094 -0.569 0.000 1.029 2176 V CA -0.716 61.345 62.300 -0.398 0.000 0.874 2176 V CB 0.965 32.649 31.823 -0.231 0.000 0.985 2176 V HN 0.590 nan 8.190 nan 0.000 0.438 2177 F N 2.934 122.741 119.950 -0.238 0.000 2.467 2177 F HA 0.717 5.245 4.527 0.001 0.000 0.336 2177 F C 0.144 175.839 175.800 -0.175 0.000 1.123 2177 F CA -0.411 57.532 58.000 -0.095 0.000 0.964 2177 F CB 1.738 40.809 39.000 0.119 0.000 1.136 2177 F HN 0.552 nan 8.300 nan 0.000 0.447 2178 E N 3.091 123.337 120.200 0.077 0.000 2.354 2178 E HA 0.477 4.827 4.350 0.001 0.000 0.283 2178 E C -1.687 174.936 176.600 0.038 0.000 0.938 2178 E CA -0.944 55.511 56.400 0.091 0.000 0.777 2178 E CB 2.058 31.877 29.700 0.198 0.000 1.222 2178 E HN 0.719 nan 8.360 nan 0.000 0.423 2179 R N 3.461 123.947 120.500 -0.023 0.000 2.532 2179 R HA 0.520 4.861 4.340 0.001 0.000 0.297 2179 R C -1.841 174.252 176.300 -0.344 0.000 0.984 2179 R CA -0.630 55.356 56.100 -0.190 0.000 0.884 2179 R CB 1.880 32.023 30.300 -0.262 0.000 1.182 2179 R HN 0.303 nan 8.270 nan 0.000 0.442 2180 V N 5.614 125.328 119.914 -0.332 0.000 2.347 2180 V HA 0.330 4.451 4.120 0.001 0.000 0.280 2180 V C -0.716 175.100 176.094 -0.463 0.000 1.021 2180 V CA -0.696 61.418 62.300 -0.310 0.000 0.847 2180 V CB 0.900 32.646 31.823 -0.129 0.000 0.990 2180 V HN 0.639 nan 8.190 nan 0.000 0.444 2181 Y N 6.488 126.610 120.300 -0.297 0.000 2.336 2181 Y HA 0.267 4.817 4.550 0.001 0.000 0.331 2181 Y C -1.210 174.257 175.900 -0.722 0.000 1.211 2181 Y CA -1.969 55.766 58.100 -0.608 0.000 1.346 2181 Y CB 0.560 38.427 38.460 -0.987 0.000 1.271 2181 Y HN 0.447 nan 8.280 nan 0.000 0.538 2182 P HA 0.069 nan 4.420 nan 0.000 0.246 2182 P C -1.314 175.840 177.300 -0.243 0.000 1.686 2182 P CA 0.470 63.377 63.100 -0.322 0.000 0.867 2182 P CB -0.731 30.932 31.700 -0.061 0.000 1.733 2183 F N -3.483 116.463 119.950 -0.005 0.000 2.799 2183 F HA 0.715 5.243 4.527 0.001 0.000 0.316 2183 F C -0.567 175.231 175.800 -0.004 0.000 1.155 2183 F CA -1.534 56.462 58.000 -0.006 0.000 0.916 2183 F CB 0.206 39.184 39.000 -0.037 0.000 1.294 2183 F HN -0.048 nan 8.300 nan 0.000 0.447 2184 G N -0.873 108.127 108.800 0.333 0.000 2.816 2184 G HA2 0.548 4.508 3.960 0.001 0.000 0.288 2184 G HA3 0.548 4.508 3.960 0.001 0.000 0.288 2184 G C -2.589 172.563 174.900 0.420 0.000 1.334 2184 G CA -0.851 44.397 45.100 0.246 0.000 0.978 2184 G HN 0.593 nan 8.290 nan 0.000 0.493 2185 W N 0.433 121.787 121.300 0.090 0.000 2.329 2185 W HA 0.514 5.175 4.660 0.001 0.000 0.312 2185 W C -0.525 176.069 176.519 0.125 0.000 1.054 2185 W CA -1.163 56.258 57.345 0.126 0.000 1.245 2185 W CB 1.500 31.006 29.460 0.076 0.000 1.255 2185 W HN 0.290 nan 8.180 nan 0.000 0.436 2186 L N 4.914 126.290 121.223 0.256 0.000 2.261 2186 L HA 0.762 5.103 4.340 0.001 0.000 0.289 2186 L C 0.260 177.263 176.870 0.223 0.000 1.059 2186 L CA -0.006 54.886 54.840 0.087 0.000 0.816 2186 L CB 0.156 42.093 42.059 -0.204 0.000 1.191 2186 L HN 0.395 nan 8.230 nan 0.000 0.431 2187 G N 5.333 114.229 108.800 0.161 0.000 2.420 2187 G HA2 0.613 4.573 3.960 0.001 0.000 0.331 2187 G HA3 0.613 4.573 3.960 0.001 0.000 0.331 2187 G C -1.790 172.860 174.900 -0.416 0.000 1.168 2187 G CA -0.651 44.405 45.100 -0.074 0.000 0.936 2187 G HN 0.762 nan 8.290 nan 0.000 0.479 2188 L N 1.665 122.487 121.223 -0.669 0.000 2.438 2188 L HA 0.649 4.990 4.340 0.001 0.000 0.270 2188 L C -1.497 175.111 176.870 -0.437 0.000 0.972 2188 L CA -1.040 53.375 54.840 -0.709 0.000 0.831 2188 L CB 2.061 43.255 42.059 -1.440 0.000 1.273 2188 L HN 0.482 nan 8.230 nan 0.000 0.405 2189 L N 5.194 126.249 121.223 -0.280 0.000 2.295 2189 L HA 0.897 5.238 4.340 0.001 0.000 0.285 2189 L C -0.569 176.268 176.870 -0.054 0.000 1.035 2189 L CA 0.132 54.882 54.840 -0.151 0.000 0.806 2189 L CB 1.419 43.407 42.059 -0.118 0.000 1.214 2189 L HN 0.690 nan 8.230 nan 0.000 0.426 2190 A N 3.198 126.050 122.820 0.053 0.000 2.435 2190 A HA 0.485 4.806 4.320 0.001 0.000 0.304 2190 A C -0.778 176.871 177.584 0.108 0.000 1.064 2190 A CA -0.574 51.556 52.037 0.154 0.000 0.727 2190 A CB 1.148 20.400 19.000 0.420 0.000 1.284 2190 A HN 0.681 nan 8.150 nan 0.000 0.415 2191 D N 1.673 122.125 120.400 0.086 0.000 3.057 2191 D HA 0.337 4.977 4.640 0.001 0.000 0.246 2191 D C 0.299 176.628 176.300 0.048 0.000 1.238 2191 D CA 0.642 54.673 54.000 0.051 0.000 0.949 2191 D CB -0.099 40.721 40.800 0.032 0.000 1.086 2191 D HN 0.615 nan 8.370 nan 0.000 0.487 2192 T N -1.938 112.656 114.554 0.068 0.000 2.916 2192 T HA 0.619 4.969 4.350 0.001 0.000 0.292 2192 T C -2.885 171.841 174.700 0.042 0.000 1.055 2192 T CA -2.220 59.904 62.100 0.040 0.000 1.009 2192 T CB 2.230 71.116 68.868 0.030 0.000 1.118 2192 T HN -0.148 nan 8.240 nan 0.000 0.497 2193 P HA 0.276 nan 4.420 nan 0.000 0.271 2193 P C -2.578 174.733 177.300 0.018 0.000 1.216 2193 P CA -1.397 61.709 63.100 0.010 0.000 0.771 2193 P CB -0.378 31.320 31.700 -0.004 0.000 0.864 2194 P HA -0.043 nan 4.420 nan 0.000 0.269 2194 P C 1.039 178.320 177.300 -0.032 0.000 1.209 2194 P CA -0.022 63.068 63.100 -0.016 0.000 0.776 2194 P CB 0.787 32.429 31.700 -0.097 0.000 0.876 2195 V N 0.968 120.918 119.914 0.061 0.000 3.141 2195 V HA -0.032 4.089 4.120 0.001 0.000 0.265 2195 V C 0.859 176.902 176.094 -0.085 0.000 1.126 2195 V CA 1.857 64.160 62.300 0.004 0.000 1.141 2195 V CB -0.321 31.546 31.823 0.072 0.000 0.743 2195 V HN 0.772 nan 8.190 nan 0.000 0.492 2196 S N -2.200 113.416 115.700 -0.140 0.000 2.570 2196 S HA 0.429 4.900 4.470 0.001 0.000 0.270 2196 S C 0.029 174.465 174.600 -0.274 0.000 1.149 2196 S CA -0.642 57.443 58.200 -0.192 0.000 0.837 2196 S CB 1.251 64.414 63.200 -0.062 0.000 1.124 2196 S HN 0.401 nan 8.310 nan 0.000 0.465 2197 H N 1.011 120.092 119.070 0.018 0.000 2.551 2197 H HA 0.387 4.944 4.556 0.001 0.000 0.271 2197 H C -0.155 175.191 175.328 0.029 0.000 0.984 2197 H CA 0.135 56.196 56.048 0.022 0.000 1.164 2197 H CB 0.425 30.201 29.762 0.023 0.000 1.437 2197 H HN 0.468 nan 8.280 nan 0.000 0.550 2198 E N 1.039 121.289 120.200 0.083 0.000 2.202 2198 E HA 0.174 4.524 4.350 0.001 0.000 0.272 2198 E C -0.356 176.264 176.600 0.034 0.000 0.951 2198 E CA -1.115 55.328 56.400 0.072 0.000 0.813 2198 E CB 2.628 32.364 29.700 0.061 0.000 1.151 2198 E HN -0.023 nan 8.360 nan 0.000 0.398 2199 L N 2.671 123.923 121.223 0.049 0.000 2.410 2199 L HA 0.235 4.575 4.340 0.001 0.000 0.273 2199 L C -0.015 176.845 176.870 -0.017 0.000 1.152 2199 L CA 0.377 55.217 54.840 -0.000 0.000 0.855 2199 L CB 0.105 42.215 42.059 0.085 0.000 1.129 2199 L HN 0.395 nan 8.230 nan 0.000 0.463 2200 I N 4.981 125.482 120.570 -0.115 0.000 2.411 2200 I HA 0.215 4.386 4.170 0.001 0.000 0.284 2200 I C -1.009 175.005 176.117 -0.171 0.000 1.012 2200 I CA -0.688 60.574 61.300 -0.063 0.000 1.119 2200 I CB 0.854 38.830 38.000 -0.039 0.000 1.261 2200 I HN 0.405 nan 8.210 nan 0.000 0.448 2201 Y N 4.700 124.983 120.300 -0.028 0.000 2.320 2201 Y HA 0.616 5.166 4.550 0.001 0.000 0.334 2201 Y C 0.512 176.357 175.900 -0.092 0.000 1.055 2201 Y CA -0.519 57.547 58.100 -0.056 0.000 1.143 2201 Y CB 1.678 40.196 38.460 0.097 0.000 1.193 2201 Y HN 0.586 nan 8.280 nan 0.000 0.477 2202 A N 3.829 126.571 122.820 -0.129 0.000 2.335 2202 A HA 0.400 4.721 4.320 0.001 0.000 0.304 2202 A C -1.024 176.543 177.584 -0.029 0.000 1.118 2202 A CA -0.870 51.128 52.037 -0.066 0.000 0.757 2202 A CB 0.723 19.642 19.000 -0.135 0.000 1.188 2202 A HN 0.695 nan 8.150 nan 0.000 0.460 2203 N N 2.385 121.142 118.700 0.095 0.000 2.426 2203 N HA 0.284 5.024 4.740 0.001 0.000 0.275 2203 N C -1.139 174.445 175.510 0.124 0.000 1.019 2203 N CA 0.034 53.141 53.050 0.095 0.000 0.941 2203 N CB 0.658 39.186 38.487 0.069 0.000 1.123 2203 N HN 0.808 nan 8.380 nan 0.000 0.486 2204 H N 3.345 122.409 119.070 -0.010 0.000 2.961 2204 H HA 0.343 4.899 4.556 0.001 0.000 0.371 2204 H C -2.143 173.183 175.328 -0.004 0.000 1.190 2204 H CA -1.381 54.660 56.048 -0.011 0.000 1.138 2204 H CB 2.483 32.214 29.762 -0.053 0.000 1.816 2204 H HN 0.270 nan 8.280 nan 0.000 0.551 2205 P HA -0.119 nan 4.420 nan 0.000 0.217 2205 P C 0.998 178.377 177.300 0.132 0.000 1.151 2205 P CA 1.685 64.742 63.100 -0.072 0.000 0.849 2205 P CB 0.191 31.776 31.700 -0.193 0.000 0.787 2206 R N -1.554 119.181 120.500 0.393 0.000 2.280 2206 R HA 0.272 4.613 4.340 0.001 0.000 0.207 2206 R C 1.003 177.369 176.300 0.110 0.000 1.043 2206 R CA 0.640 56.865 56.100 0.208 0.000 1.006 2206 R CB -0.291 30.090 30.300 0.135 0.000 0.885 2206 R HN 0.243 nan 8.270 nan 0.000 0.467 2207 G N 0.135 108.999 108.800 0.106 0.000 2.357 2207 G HA2 -0.129 3.831 3.960 0.001 0.000 0.643 2207 G HA3 -0.129 3.831 3.960 0.001 0.000 0.643 2207 G C -1.186 173.707 174.900 -0.012 0.000 1.358 2207 G CA -0.993 44.121 45.100 0.023 0.000 0.986 2207 G HN 0.082 nan 8.290 nan 0.000 0.620 2208 F N 1.181 120.971 119.950 -0.267 0.000 2.496 2208 F HA 0.617 5.144 4.527 0.001 0.000 0.344 2208 F C 0.594 176.186 175.800 -0.347 0.000 1.155 2208 F CA 1.073 58.843 58.000 -0.383 0.000 1.302 2208 F CB 0.926 39.475 39.000 -0.752 0.000 1.159 2208 F HN 1.424 nan 8.300 nan 0.000 0.595 2209 A N 5.302 127.292 122.820 -1.382 0.000 2.594 2209 A HA 0.715 5.036 4.320 0.001 0.000 0.295 2209 A C -2.325 174.433 177.584 -1.376 0.000 1.071 2209 A CA -0.689 50.673 52.037 -1.124 0.000 0.685 2209 A CB 1.510 20.165 19.000 -0.576 0.000 1.285 2209 A HN 0.988 nan 8.150 nan 0.000 0.405 2210 L N 0.641 121.345 121.223 -0.866 0.000 2.455 2210 L HA 0.785 5.125 4.340 0.001 0.000 0.264 2210 L C -1.356 175.373 176.870 -0.235 0.000 0.968 2210 L CA -0.346 54.120 54.840 -0.624 0.000 0.827 2210 L CB 1.586 43.281 42.059 -0.607 0.000 1.317 2210 L HN 0.735 nan 8.230 nan 0.000 0.407 2211 C N 3.023 122.202 119.300 -0.203 0.000 2.298 2211 C HA 0.905 5.366 4.460 0.001 0.000 0.323 2211 C C 0.448 175.295 174.990 -0.239 0.000 1.284 2211 C CA -0.315 58.636 59.018 -0.112 0.000 1.577 2211 C CB 0.415 28.185 27.740 0.051 0.000 2.249 2211 C HN 0.917 nan 8.230 nan 0.000 0.497 2212 S N 1.927 117.404 115.700 -0.371 0.000 2.840 2212 S HA 0.836 5.306 4.470 0.001 0.000 0.307 2212 S C -1.681 172.747 174.600 -0.286 0.000 1.180 2212 S CA -0.411 57.654 58.200 -0.225 0.000 0.846 2212 S CB 1.727 64.875 63.200 -0.088 0.000 1.233 2212 S HN 0.889 nan 8.310 nan 0.000 0.548 2213 Q N -0.321 119.398 119.800 -0.135 0.000 2.648 2213 Q HA 0.640 4.981 4.340 0.001 0.000 0.300 2213 Q C -0.592 175.391 176.000 -0.028 0.000 0.954 2213 Q CA -1.018 54.719 55.803 -0.110 0.000 0.757 2213 Q CB 1.083 29.784 28.738 -0.062 0.000 1.482 2213 Q HN 0.428 nan 8.270 nan 0.000 0.437 2214 R N -0.300 120.193 120.500 -0.013 0.000 2.412 2214 R HA 0.338 4.678 4.340 0.001 0.000 0.212 2214 R C 0.090 176.424 176.300 0.057 0.000 0.878 2214 R CA 1.118 57.235 56.100 0.028 0.000 1.022 2214 R CB 1.467 31.768 30.300 0.002 0.000 1.265 2214 R HN 0.886 nan 8.270 nan 0.000 0.620 2215 S N -2.056 113.668 115.700 0.040 0.000 2.683 2215 S HA 0.434 4.905 4.470 0.001 0.000 0.269 2215 S C 0.393 175.019 174.600 0.044 0.000 1.165 2215 S CA -0.115 58.115 58.200 0.051 0.000 0.840 2215 S CB 0.835 64.063 63.200 0.046 0.000 1.169 2215 S HN -0.021 nan 8.310 nan 0.000 0.490 2216 A N 0.673 123.522 122.820 0.050 0.000 2.070 2216 A HA 0.181 4.502 4.320 0.001 0.000 0.220 2216 A C 1.726 179.331 177.584 0.036 0.000 1.159 2216 A CA 2.047 54.118 52.037 0.056 0.000 0.656 2216 A CB -1.153 17.880 19.000 0.055 0.000 0.800 2216 A HN 1.747 nan 8.150 nan 0.000 0.453 2217 T N -4.019 110.551 114.554 0.028 0.000 3.288 2217 T HA 0.458 4.808 4.350 0.001 0.000 0.293 2217 T C 0.025 174.738 174.700 0.022 0.000 1.008 2217 T CA -0.440 61.673 62.100 0.022 0.000 0.929 2217 T CB -0.179 68.699 68.868 0.018 0.000 1.152 2217 T HN 0.330 nan 8.240 nan 0.000 0.517 2218 R N 0.615 121.125 120.500 0.018 0.000 2.538 2218 R HA 0.681 5.021 4.340 0.001 0.000 0.292 2218 R C -1.360 174.929 176.300 -0.017 0.000 1.008 2218 R CA -0.248 55.858 56.100 0.011 0.000 0.896 2218 R CB 1.823 32.127 30.300 0.006 0.000 1.187 2218 R HN 0.198 nan 8.270 nan 0.000 0.440 2219 S N 1.993 117.682 115.700 -0.018 0.000 2.648 2219 S HA 0.648 5.119 4.470 0.001 0.000 0.305 2219 S C -1.304 173.167 174.600 -0.215 0.000 1.094 2219 S CA -0.776 57.340 58.200 -0.140 0.000 0.983 2219 S CB 1.770 64.960 63.200 -0.017 0.000 1.101 2219 S HN 0.538 nan 8.310 nan 0.000 0.514 2220 R N 1.114 121.327 120.500 -0.477 0.000 2.515 2220 R HA 0.548 4.889 4.340 0.001 0.000 0.291 2220 R C -2.413 173.469 176.300 -0.695 0.000 1.046 2220 R CA -0.384 55.443 56.100 -0.456 0.000 0.914 2220 R CB 0.210 30.334 30.300 -0.292 0.000 1.191 2220 R HN 0.667 nan 8.270 nan 0.000 0.435 2221 Y N 3.292 123.350 120.300 -0.403 0.000 2.545 2221 Y HA 0.592 5.143 4.550 0.001 0.000 0.348 2221 Y C -0.878 174.773 175.900 -0.416 0.000 1.002 2221 Y CA -0.641 57.302 58.100 -0.261 0.000 1.039 2221 Y CB 2.129 40.644 38.460 0.092 0.000 1.271 2221 Y HN 0.451 nan 8.280 nan 0.000 0.467 2222 Y N 0.188 120.535 120.300 0.079 0.000 2.562 2222 Y HA 0.677 5.228 4.550 0.001 0.000 0.345 2222 Y C -0.725 175.007 175.900 -0.279 0.000 1.045 2222 Y CA -1.446 56.614 58.100 -0.067 0.000 1.028 2222 Y CB 2.087 40.294 38.460 -0.422 0.000 1.297 2222 Y HN 0.391 nan 8.280 nan 0.000 0.463 2223 V N -0.421 119.449 119.914 -0.073 0.000 2.789 2223 V HA 0.598 4.719 4.120 0.001 0.000 0.311 2223 V C -0.791 175.237 176.094 -0.109 0.000 1.073 2223 V CA -1.176 60.963 62.300 -0.269 0.000 0.921 2223 V CB 1.620 33.193 31.823 -0.417 0.000 1.009 2223 V HN 0.862 nan 8.190 nan 0.000 0.426 2224 Q N 3.087 122.880 119.800 -0.013 0.000 2.394 2224 Q HA 0.706 5.046 4.340 0.001 0.000 0.248 2224 Q C -0.453 175.566 176.000 0.032 0.000 0.992 2224 Q CA -0.429 55.458 55.803 0.141 0.000 0.888 2224 Q CB 1.769 30.583 28.738 0.127 0.000 1.257 2224 Q HN 1.554 nan 8.270 nan 0.000 0.462 2225 V N -1.972 117.998 119.914 0.094 0.000 3.049 2225 V HA 0.658 4.779 4.120 0.001 0.000 0.309 2225 V C -2.733 173.458 176.094 0.162 0.000 1.148 2225 V CA -2.696 59.634 62.300 0.050 0.000 0.990 2225 V CB 1.517 33.257 31.823 -0.139 0.000 1.039 2225 V HN 0.868 nan 8.190 nan 0.000 0.430 2226 P HA 0.185 nan 4.420 nan 0.000 0.272 2226 P C 0.411 177.800 177.300 0.149 0.000 1.230 2226 P CA -0.219 62.989 63.100 0.180 0.000 0.788 2226 P CB 0.867 32.668 31.700 0.169 0.000 0.949 2227 L N 1.403 122.699 121.223 0.122 0.000 2.465 2227 L HA -0.081 4.260 4.340 0.001 0.000 0.224 2227 L C 2.263 179.187 176.870 0.091 0.000 1.145 2227 L CA 1.714 56.609 54.840 0.091 0.000 0.834 2227 L CB -2.111 39.983 42.059 0.059 0.000 0.944 2227 L HN 0.443 nan 8.230 nan 0.000 0.451 2228 S N -2.451 113.311 115.700 0.103 0.000 2.527 2228 S HA 0.049 4.519 4.470 0.001 0.000 0.222 2228 S C 0.763 175.436 174.600 0.122 0.000 0.985 2228 S CA -0.256 58.003 58.200 0.098 0.000 0.921 2228 S CB -0.121 63.134 63.200 0.092 0.000 0.772 2228 S HN 0.320 nan 8.310 nan 0.000 0.529 2229 E N 1.887 122.180 120.200 0.155 0.000 2.392 2229 E HA 0.320 4.670 4.350 0.001 0.000 0.264 2229 E C -0.675 176.032 176.600 0.179 0.000 1.024 2229 E CA 0.316 56.847 56.400 0.219 0.000 0.903 2229 E CB 0.621 30.500 29.700 0.297 0.000 0.963 2229 E HN 0.387 nan 8.360 nan 0.000 0.432 2230 K N 0.818 121.349 120.400 0.218 0.000 2.259 2230 K HA 0.182 4.503 4.320 0.001 0.000 0.252 2230 K C 0.751 177.486 176.600 0.225 0.000 0.936 2230 K CA -0.515 55.873 56.287 0.168 0.000 0.810 2230 K CB 2.188 34.766 32.500 0.129 0.000 1.143 2230 K HN 0.174 nan 8.250 nan 0.000 0.427 2231 V N 2.687 122.688 119.914 0.146 0.000 2.469 2231 V HA -0.213 3.908 4.120 0.001 0.000 0.251 2231 V C 1.523 177.729 176.094 0.188 0.000 1.064 2231 V CA 2.000 64.386 62.300 0.143 0.000 1.066 2231 V CB -0.287 31.574 31.823 0.064 0.000 0.667 2231 V HN 0.833 nan 8.190 nan 0.000 0.461 2232 E N -0.848 119.438 120.200 0.143 0.000 2.347 2232 E HA -0.173 4.177 4.350 0.001 0.000 0.196 2232 E C 1.260 177.934 176.600 0.123 0.000 1.008 2232 E CA 1.006 57.473 56.400 0.112 0.000 0.852 2232 E CB -0.511 29.233 29.700 0.074 0.000 0.783 2232 E HN 0.636 nan 8.360 nan 0.000 0.505 2233 D N -0.212 120.296 120.400 0.180 0.000 2.349 2233 D HA -0.015 4.625 4.640 0.001 0.000 0.224 2233 D C -0.579 175.730 176.300 0.015 0.000 1.029 2233 D CA 0.298 54.352 54.000 0.090 0.000 0.879 2233 D CB -0.094 40.762 40.800 0.094 0.000 0.906 2233 D HN 0.212 nan 8.370 nan 0.000 0.528 2234 W N 2.095 123.410 121.300 0.025 0.000 2.363 2234 W HA 0.218 4.879 4.660 0.001 0.000 0.314 2234 W C 0.450 176.976 176.519 0.011 0.000 0.994 2234 W CA -0.770 56.593 57.345 0.029 0.000 1.449 2234 W CB 0.636 30.128 29.460 0.053 0.000 1.248 2234 W HN -0.269 nan 8.180 nan 0.000 0.409 2235 S N 0.484 116.255 115.700 0.118 0.000 2.589 2235 S HA 0.033 4.504 4.470 0.001 0.000 0.265 2235 S C 1.022 175.691 174.600 0.114 0.000 1.342 2235 S CA -0.041 58.210 58.200 0.085 0.000 1.005 2235 S CB 1.258 64.482 63.200 0.040 0.000 0.909 2235 S HN 0.446 nan 8.310 nan 0.000 0.555 2236 D N 1.251 121.692 120.400 0.068 0.000 2.123 2236 D HA -0.140 4.500 4.640 0.001 0.000 0.196 2236 D C 2.114 178.491 176.300 0.129 0.000 0.992 2236 D CA 1.964 55.972 54.000 0.013 0.000 0.833 2236 D CB -0.413 40.440 40.800 0.088 0.000 0.954 2236 D HN 0.918 nan 8.370 nan 0.000 0.455 2237 E N 0.756 121.078 120.200 0.203 0.000 2.077 2237 E HA -0.213 4.138 4.350 0.001 0.000 0.193 2237 E C 2.188 178.900 176.600 0.186 0.000 0.989 2237 E CA 0.721 57.269 56.400 0.247 0.000 0.800 2237 E CB -0.314 29.471 29.700 0.141 0.000 0.746 2237 E HN 0.166 nan 8.360 nan 0.000 0.452 2238 R N 0.275 120.840 120.500 0.109 0.000 2.096 2238 R HA -0.155 4.185 4.340 0.001 0.000 0.235 2238 R C 2.211 178.623 176.300 0.187 0.000 1.127 2238 R CA 1.365 57.482 56.100 0.028 0.000 0.968 2238 R CB -0.356 29.840 30.300 -0.174 0.000 0.861 2238 R HN 0.285 nan 8.270 nan 0.000 0.440 2239 F N -0.073 119.970 119.950 0.156 0.000 2.102 2239 F HA -0.195 4.333 4.527 0.001 0.000 0.298 2239 F C 1.548 177.321 175.800 -0.046 0.000 1.105 2239 F CA 1.753 59.806 58.000 0.088 0.000 1.239 2239 F CB -0.423 38.425 39.000 -0.254 0.000 0.991 2239 F HN 0.062 nan 8.300 nan 0.000 0.474 2240 W N 0.287 121.707 121.300 0.200 0.000 2.363 2240 W HA -0.188 4.473 4.660 0.001 0.000 0.296 2240 W C 2.535 178.970 176.519 -0.139 0.000 1.212 2240 W CA 1.297 58.640 57.345 -0.004 0.000 1.260 2240 W CB -0.872 28.608 29.460 0.033 0.000 1.131 2240 W HN -0.118 nan 8.180 nan 0.000 0.530 2241 T N -0.156 114.483 114.554 0.142 0.000 2.737 2241 T HA -0.224 4.127 4.350 0.001 0.000 0.265 2241 T C 1.439 176.103 174.700 -0.060 0.000 1.038 2241 T CA 1.692 63.807 62.100 0.024 0.000 1.144 2241 T CB -0.300 68.576 68.868 0.012 0.000 0.866 2241 T HN -0.010 nan 8.240 nan 0.000 0.434 2242 E N 0.986 121.142 120.200 -0.075 0.000 2.077 2242 E HA -0.078 4.273 4.350 0.001 0.000 0.193 2242 E C 1.962 178.403 176.600 -0.264 0.000 0.989 2242 E CA 0.616 56.948 56.400 -0.113 0.000 0.800 2242 E CB -0.563 29.170 29.700 0.054 0.000 0.746 2242 E HN 0.309 nan 8.360 nan 0.000 0.452 2243 L N 1.035 122.014 121.223 -0.407 0.000 1.989 2243 L HA -0.175 4.166 4.340 0.001 0.000 0.211 2243 L C 1.940 178.647 176.870 -0.273 0.000 1.071 2243 L CA 2.054 56.629 54.840 -0.442 0.000 0.749 2243 L CB -0.527 41.221 42.059 -0.519 0.000 0.890 2243 L HN 0.008 nan 8.230 nan 0.000 0.431 2244 K N -0.447 119.845 120.400 -0.180 0.000 2.063 2244 K HA -0.140 4.181 4.320 0.001 0.000 0.208 2244 K C 2.013 178.504 176.600 -0.182 0.000 1.048 2244 K CA 1.428 57.624 56.287 -0.150 0.000 0.928 2244 K CB -0.507 31.933 32.500 -0.100 0.000 0.713 2244 K HN 0.503 nan 8.250 nan 0.000 0.442 2245 A N 1.461 124.165 122.820 -0.193 0.000 2.131 2245 A HA -0.174 4.147 4.320 0.001 0.000 0.220 2245 A C 1.752 179.053 177.584 -0.472 0.000 1.158 2245 A CA 1.329 53.226 52.037 -0.233 0.000 0.665 2245 A CB -0.299 18.596 19.000 -0.175 0.000 0.795 2245 A HN 0.276 nan 8.150 nan 0.000 0.460 2246 R N -1.411 118.800 120.500 -0.481 0.000 2.397 2246 R HA 0.382 4.722 4.340 0.001 0.000 0.241 2246 R C -0.360 175.725 176.300 -0.358 0.000 0.914 2246 R CA -0.193 55.494 56.100 -0.689 0.000 1.071 2246 R CB 0.160 30.178 30.300 -0.470 0.000 1.116 2246 R HN 0.376 nan 8.270 nan 0.000 0.524 2247 L N 1.071 122.153 121.223 -0.236 0.000 2.352 2247 L HA 0.471 4.812 4.340 0.001 0.000 0.269 2247 L C -2.223 174.608 176.870 -0.065 0.000 1.034 2247 L CA -2.558 52.208 54.840 -0.123 0.000 0.806 2247 L CB 0.813 42.802 42.059 -0.118 0.000 1.244 2247 L HN -0.330 nan 8.230 nan 0.000 0.447 2248 P HA -0.005 nan 4.420 nan 0.000 0.265 2248 P C 0.455 177.733 177.300 -0.037 0.000 1.193 2248 P CA 0.028 63.114 63.100 -0.023 0.000 0.765 2248 P CB 0.765 32.449 31.700 -0.027 0.000 0.823 2249 S N 2.073 117.754 115.700 -0.032 0.000 2.400 2249 S HA -0.240 4.230 4.470 0.001 0.000 0.232 2249 S C 1.688 176.264 174.600 -0.040 0.000 1.025 2249 S CA 1.078 59.255 58.200 -0.038 0.000 0.993 2249 S CB -0.709 62.473 63.200 -0.030 0.000 0.808 2249 S HN 0.547 nan 8.310 nan 0.000 0.478 2250 E N 1.161 121.340 120.200 -0.035 0.000 2.085 2250 E HA -0.126 4.225 4.350 0.001 0.000 0.194 2250 E C 2.031 178.609 176.600 -0.037 0.000 0.994 2250 E CA 1.561 57.941 56.400 -0.033 0.000 0.801 2250 E CB -0.203 29.480 29.700 -0.027 0.000 0.743 2250 E HN 0.511 nan 8.360 nan 0.000 0.453 2251 V N 1.228 121.119 119.914 -0.038 0.000 2.323 2251 V HA -0.209 3.911 4.120 0.001 0.000 0.244 2251 V C 2.591 178.652 176.094 -0.055 0.000 1.041 2251 V CA 1.685 63.962 62.300 -0.039 0.000 1.025 2251 V CB -0.892 30.910 31.823 -0.034 0.000 0.656 2251 V HN 0.348 nan 8.190 nan 0.000 0.451 2252 A N 0.894 123.674 122.820 -0.066 0.000 1.908 2252 A HA -0.284 4.037 4.320 0.001 0.000 0.218 2252 A C 2.246 179.778 177.584 -0.087 0.000 1.181 2252 A CA 2.055 54.041 52.037 -0.085 0.000 0.627 2252 A CB -0.580 18.368 19.000 -0.087 0.000 0.818 2252 A HN 0.795 nan 8.150 nan 0.000 0.445 2253 E N 0.799 120.957 120.200 -0.070 0.000 2.204 2253 E HA -0.233 4.118 4.350 0.001 0.000 0.194 2253 E C 1.418 177.972 176.600 -0.077 0.000 0.989 2253 E CA 1.424 57.783 56.400 -0.070 0.000 0.824 2253 E CB -0.322 29.346 29.700 -0.054 0.000 0.756 2253 E HN 0.764 nan 8.360 nan 0.000 0.477 2254 K N 0.861 121.217 120.400 -0.072 0.000 2.417 2254 K HA 0.233 4.554 4.320 0.001 0.000 0.196 2254 K C 0.807 177.351 176.600 -0.093 0.000 1.023 2254 K CA -0.264 55.979 56.287 -0.073 0.000 1.122 2254 K CB 0.264 32.732 32.500 -0.055 0.000 0.850 2254 K HN 0.094 nan 8.250 nan 0.000 0.521 2255 L N 2.812 123.962 121.223 -0.121 0.000 2.410 2255 L HA 0.128 4.468 4.340 0.001 0.000 0.273 2255 L C -0.611 176.117 176.870 -0.237 0.000 1.144 2255 L CA -0.066 54.673 54.840 -0.169 0.000 0.863 2255 L CB 0.967 42.894 42.059 -0.220 0.000 1.140 2255 L HN -0.030 nan 8.230 nan 0.000 0.463 2256 V N 4.795 124.574 119.914 -0.226 0.000 2.432 2256 V HA 0.294 4.414 4.120 0.001 0.000 0.275 2256 V C 0.713 176.515 176.094 -0.488 0.000 1.043 2256 V CA -0.426 61.714 62.300 -0.267 0.000 0.925 2256 V CB 1.584 33.316 31.823 -0.153 0.000 0.985 2256 V HN 0.942 nan 8.190 nan 0.000 0.466 2257 T N 1.956 116.114 114.554 -0.659 0.000 2.937 2257 T HA 0.948 5.298 4.350 0.001 0.000 0.283 2257 T C 0.026 174.397 174.700 -0.549 0.000 1.012 2257 T CA -0.195 61.203 62.100 -1.172 0.000 0.997 2257 T CB 2.095 70.013 68.868 -1.583 0.000 1.136 2257 T HN 1.162 nan 8.240 nan 0.000 0.551 2258 G N 0.008 108.632 108.800 -0.294 0.000 2.451 2258 G HA2 0.577 4.537 3.960 0.001 0.000 0.292 2258 G HA3 0.577 4.537 3.960 0.001 0.000 0.292 2258 G C -3.429 171.652 174.900 0.301 0.000 1.427 2258 G CA -1.159 43.964 45.100 0.038 0.000 0.792 2258 G HN 0.711 nan 8.290 nan 0.000 0.498 2259 P HA 0.287 nan 4.420 nan 0.000 0.268 2259 P C 0.390 177.777 177.300 0.144 0.000 1.205 2259 P CA -0.191 63.010 63.100 0.169 0.000 0.771 2259 P CB 0.902 32.653 31.700 0.086 0.000 0.858 2260 S N 2.072 117.812 115.700 0.066 0.000 2.564 2260 S HA 0.165 4.636 4.470 0.001 0.000 0.278 2260 S C 1.136 175.723 174.600 -0.021 0.000 1.333 2260 S CA -0.529 57.656 58.200 -0.026 0.000 1.048 2260 S CB 0.093 63.194 63.200 -0.164 0.000 0.900 2260 S HN 0.321 nan 8.310 nan 0.000 0.505 2261 L N 0.377 121.583 121.223 -0.028 0.000 2.270 2261 L HA 0.307 4.648 4.340 0.001 0.000 0.210 2261 L C 1.234 178.071 176.870 -0.055 0.000 1.104 2261 L CA 0.717 55.539 54.840 -0.030 0.000 0.804 2261 L CB -0.185 41.858 42.059 -0.026 0.000 0.937 2261 L HN 0.781 nan 8.230 nan 0.000 0.450 2262 E N 0.548 120.696 120.200 -0.088 0.000 2.381 2262 E HA 0.331 4.682 4.350 0.001 0.000 0.286 2262 E C -1.644 174.866 176.600 -0.150 0.000 0.960 2262 E CA -0.448 55.893 56.400 -0.099 0.000 0.793 2262 E CB 2.302 31.950 29.700 -0.087 0.000 1.225 2262 E HN -0.074 nan 8.360 nan 0.000 0.420 2263 K N 1.469 121.789 120.400 -0.133 0.000 2.501 2263 K HA 0.556 4.877 4.320 0.001 0.000 0.252 2263 K C -1.385 175.162 176.600 -0.088 0.000 0.934 2263 K CA -0.614 55.570 56.287 -0.170 0.000 0.797 2263 K CB 1.963 34.358 32.500 -0.175 0.000 1.270 2263 K HN 0.673 nan 8.250 nan 0.000 0.431 2264 S N 1.631 117.294 115.700 -0.061 0.000 2.587 2264 S HA 0.558 5.028 4.470 0.001 0.000 0.269 2264 S C -1.067 173.556 174.600 0.037 0.000 1.154 2264 S CA -0.940 57.261 58.200 0.000 0.000 0.824 2264 S CB 0.909 64.121 63.200 0.021 0.000 1.118 2264 S HN 0.451 nan 8.310 nan 0.000 0.462 2265 I N 1.599 122.199 120.570 0.051 0.000 2.362 2265 I HA 0.632 4.803 4.170 0.001 0.000 0.289 2265 I C 0.146 176.321 176.117 0.095 0.000 0.994 2265 I CA -0.730 60.616 61.300 0.077 0.000 1.158 2265 I CB 1.562 39.587 38.000 0.042 0.000 1.315 2265 I HN 0.919 nan 8.210 nan 0.000 0.451 2266 A N 9.173 132.071 122.820 0.130 0.000 2.276 2266 A HA 0.741 5.061 4.320 0.001 0.000 0.316 2266 A C -2.521 175.070 177.584 0.012 0.000 1.229 2266 A CA -1.579 50.495 52.037 0.062 0.000 0.851 2266 A CB 0.402 19.426 19.000 0.039 0.000 1.165 2266 A HN 0.391 nan 8.150 nan 0.000 0.513 2267 P HA 0.362 nan 4.420 nan 0.000 0.275 2267 P C -0.978 176.245 177.300 -0.129 0.000 1.227 2267 P CA -0.212 62.865 63.100 -0.038 0.000 0.781 2267 P CB 1.008 32.702 31.700 -0.009 0.000 0.906 2268 L N 4.028 125.168 121.223 -0.138 0.000 2.309 2268 L HA 0.607 4.948 4.340 0.001 0.000 0.282 2268 L C 0.917 177.810 176.870 0.038 0.000 1.036 2268 L CA 0.006 54.742 54.840 -0.173 0.000 0.806 2268 L CB 0.956 42.833 42.059 -0.303 0.000 1.220 2268 L HN 0.546 nan 8.230 nan 0.000 0.429 2269 R N 1.028 121.559 120.500 0.051 0.000 2.690 2269 R HA 0.659 5.000 4.340 0.001 0.000 0.269 2269 R C -1.669 174.703 176.300 0.121 0.000 1.037 2269 R CA -0.693 55.447 56.100 0.066 0.000 0.877 2269 R CB 1.339 31.558 30.300 -0.135 0.000 1.255 2269 R HN 0.427 nan 8.270 nan 0.000 0.467 2270 S N 1.245 117.027 115.700 0.137 0.000 2.473 2270 S HA 0.728 5.199 4.470 0.001 0.000 0.307 2270 S C -1.570 173.124 174.600 0.158 0.000 1.094 2270 S CA -0.543 57.752 58.200 0.157 0.000 1.070 2270 S CB 0.852 64.185 63.200 0.221 0.000 1.019 2270 S HN 0.438 nan 8.310 nan 0.000 0.480 2271 F N 2.902 122.824 119.950 -0.048 0.000 2.615 2271 F HA 0.680 5.208 4.527 0.001 0.000 0.312 2271 F C -1.689 174.114 175.800 0.005 0.000 1.119 2271 F CA -0.460 57.541 58.000 -0.000 0.000 0.979 2271 F CB 1.117 40.088 39.000 -0.047 0.000 1.266 2271 F HN 0.360 nan 8.300 nan 0.000 0.444 2272 V N 5.643 125.288 119.914 -0.449 0.000 2.851 2272 V HA 0.672 4.793 4.120 0.001 0.000 0.307 2272 V C -1.049 174.913 176.094 -0.220 0.000 1.129 2272 V CA -0.825 61.301 62.300 -0.290 0.000 0.932 2272 V CB 1.940 33.440 31.823 -0.537 0.000 1.024 2272 V HN 0.777 nan 8.190 nan 0.000 0.426 2273 V N 0.883 120.768 119.914 -0.048 0.000 2.769 2273 V HA 0.822 4.943 4.120 0.001 0.000 0.312 2273 V C -0.710 175.478 176.094 0.157 0.000 1.061 2273 V CA -0.598 61.735 62.300 0.055 0.000 0.931 2273 V CB 2.049 33.915 31.823 0.073 0.000 1.010 2273 V HN 0.934 nan 8.190 nan 0.000 0.433 2274 E N 4.481 124.811 120.200 0.218 0.000 2.263 2274 E HA 0.500 4.851 4.350 0.001 0.000 0.268 2274 E C -2.746 173.942 176.600 0.146 0.000 0.884 2274 E CA -1.715 54.812 56.400 0.211 0.000 0.766 2274 E CB 3.189 33.086 29.700 0.328 0.000 1.196 2274 E HN 0.671 nan 8.360 nan 0.000 0.416 2275 P HA 0.213 nan 4.420 nan 0.000 0.318 2275 P C -0.186 177.193 177.300 0.131 0.000 1.309 2275 P CA -0.345 62.830 63.100 0.125 0.000 0.736 2275 P CB 0.913 32.685 31.700 0.120 0.000 1.440 2276 M N -1.002 118.694 119.600 0.159 0.000 2.876 2276 M HA 0.197 4.678 4.480 0.001 0.000 0.367 2276 M C 0.078 176.527 176.300 0.247 0.000 1.242 2276 M CA 0.083 55.502 55.300 0.199 0.000 0.889 2276 M CB 0.163 32.899 32.600 0.227 0.000 1.353 2276 M HN 0.305 nan 8.290 nan 0.000 0.511 2277 Q N -1.243 118.651 119.800 0.157 0.000 2.687 2277 Q HA 0.527 4.867 4.340 0.001 0.000 0.295 2277 Q C -1.445 174.576 176.000 0.036 0.000 0.920 2277 Q CA -1.105 54.715 55.803 0.027 0.000 0.766 2277 Q CB 1.937 30.693 28.738 0.030 0.000 1.467 2277 Q HN 0.265 nan 8.270 nan 0.000 0.415 2278 H N -0.799 118.142 119.070 -0.215 0.000 3.235 2278 H HA 0.457 5.013 4.556 0.001 0.000 0.324 2278 H C 0.202 175.416 175.328 -0.190 0.000 1.059 2278 H CA 1.095 57.057 56.048 -0.144 0.000 1.497 2278 H CB 1.161 30.866 29.762 -0.096 0.000 1.986 2278 H HN 1.150 nan 8.280 nan 0.000 0.444 2279 G N 3.974 112.460 108.800 -0.524 0.000 2.622 2279 G HA2 -0.372 3.588 3.960 0.001 0.000 0.307 2279 G HA3 -0.372 3.588 3.960 0.001 0.000 0.307 2279 G C 0.775 175.510 174.900 -0.275 0.000 1.226 2279 G CA 0.429 45.309 45.100 -0.366 0.000 0.997 2279 G HN 0.593 nan 8.290 nan 0.000 0.551 2280 R N -0.000 120.400 120.500 -0.166 0.000 2.313 2280 R HA 0.238 4.579 4.340 0.001 0.000 0.199 2280 R C 0.938 177.138 176.300 -0.166 0.000 0.958 2280 R CA 0.275 56.371 56.100 -0.008 0.000 1.047 2280 R CB -0.964 29.361 30.300 0.041 0.000 0.955 2280 R HN 0.471 nan 8.270 nan 0.000 0.481 2281 L N 0.394 121.381 121.223 -0.393 0.000 2.309 2281 L HA 0.471 4.811 4.340 0.001 0.000 0.282 2281 L C -1.104 175.331 176.870 -0.726 0.000 1.036 2281 L CA -0.383 54.254 54.840 -0.338 0.000 0.806 2281 L CB 0.740 42.722 42.059 -0.128 0.000 1.220 2281 L HN -0.181 nan 8.230 nan 0.000 0.429 2282 F N 5.313 125.243 119.950 -0.033 0.000 2.507 2282 F HA 0.510 5.037 4.527 0.001 0.000 0.328 2282 F C -0.387 175.407 175.800 -0.009 0.000 1.136 2282 F CA -0.643 57.295 58.000 -0.105 0.000 0.930 2282 F CB 1.412 40.144 39.000 -0.446 0.000 1.166 2282 F HN 0.253 nan 8.300 nan 0.000 0.436 2283 L N 3.406 124.763 121.223 0.223 0.000 2.375 2283 L HA 0.828 5.169 4.340 0.001 0.000 0.271 2283 L C 0.073 177.110 176.870 0.279 0.000 1.107 2283 L CA -0.675 54.279 54.840 0.190 0.000 0.806 2283 L CB 1.248 43.399 42.059 0.153 0.000 1.146 2283 L HN 0.778 nan 8.230 nan 0.000 0.447 2284 A N 1.429 124.350 122.820 0.170 0.000 2.549 2284 A HA 0.793 5.114 4.320 0.001 0.000 0.297 2284 A C 0.028 177.633 177.584 0.036 0.000 1.061 2284 A CA 0.124 52.274 52.037 0.189 0.000 0.690 2284 A CB 1.456 20.577 19.000 0.202 0.000 1.287 2284 A HN 1.001 nan 8.150 nan 0.000 0.402 2285 G N 1.286 110.085 108.800 -0.003 0.000 2.552 2285 G HA2 -0.232 3.729 3.960 0.001 0.000 0.265 2285 G HA3 -0.232 3.729 3.960 0.001 0.000 0.265 2285 G C 0.335 174.985 174.900 -0.416 0.000 1.234 2285 G CA 0.856 45.889 45.100 -0.112 0.000 0.944 2285 G HN 0.879 nan 8.290 nan 0.000 0.568 2286 D N 0.756 121.042 120.400 -0.189 0.000 2.311 2286 D HA 0.172 4.813 4.640 0.001 0.000 0.212 2286 D C 2.597 178.846 176.300 -0.084 0.000 0.972 2286 D CA 1.925 55.839 54.000 -0.143 0.000 0.887 2286 D CB -0.523 40.252 40.800 -0.042 0.000 0.915 2286 D HN 0.863 nan 8.370 nan 0.000 0.497 2287 A N 0.127 122.898 122.820 -0.082 0.000 2.014 2287 A HA 0.133 4.453 4.320 0.001 0.000 0.218 2287 A C 2.133 179.723 177.584 0.010 0.000 1.163 2287 A CA 1.649 53.668 52.037 -0.031 0.000 0.652 2287 A CB -0.122 18.870 19.000 -0.013 0.000 0.808 2287 A HN 0.235 nan 8.150 nan 0.000 0.449 2288 A N -1.187 121.580 122.820 -0.089 0.000 2.085 2288 A HA 0.466 4.786 4.320 0.001 0.000 0.208 2288 A C 0.665 178.305 177.584 0.092 0.000 1.191 2288 A CA 1.000 53.046 52.037 0.014 0.000 0.799 2288 A CB -0.017 18.998 19.000 0.025 0.000 0.877 2288 A HN 0.832 nan 8.150 nan 0.000 0.473 2289 H N -3.035 116.154 119.070 0.200 0.000 3.014 2289 H HA 0.744 5.300 4.556 0.001 0.000 0.337 2289 H C -1.459 173.925 175.328 0.094 0.000 1.320 2289 H CA -1.377 54.782 56.048 0.186 0.000 1.128 2289 H CB 0.553 30.294 29.762 -0.034 0.000 1.862 2289 H HN -0.063 nan 8.280 nan 0.000 0.536 2290 I N 1.882 122.578 120.570 0.210 0.000 2.686 2290 I HA 0.471 4.642 4.170 0.001 0.000 0.295 2290 I C -0.346 175.787 176.117 0.026 0.000 1.114 2290 I CA -0.933 60.373 61.300 0.010 0.000 1.038 2290 I CB 1.995 39.828 38.000 -0.278 0.000 1.238 2290 I HN 0.751 nan 8.210 nan 0.000 0.420 2291 V N 3.256 123.164 119.914 -0.010 0.000 2.864 2291 V HA 0.740 4.860 4.120 0.001 0.000 0.314 2291 V C -2.671 173.362 176.094 -0.102 0.000 1.073 2291 V CA -2.209 60.082 62.300 -0.015 0.000 0.956 2291 V CB 1.812 33.632 31.823 -0.004 0.000 1.023 2291 V HN 0.544 nan 8.190 nan 0.000 0.435 2292 P HA 0.292 nan 4.420 nan 0.000 0.275 2292 P C -2.231 174.852 177.300 -0.361 0.000 1.227 2292 P CA -1.612 61.287 63.100 -0.335 0.000 0.781 2292 P CB 0.691 32.108 31.700 -0.472 0.000 0.906 2293 P HA -0.109 nan 4.420 nan 0.000 0.236 2293 P C 1.048 178.247 177.300 -0.170 0.000 1.172 2293 P CA 1.003 63.849 63.100 -0.424 0.000 0.759 2293 P CB -0.506 30.839 31.700 -0.592 0.000 0.843 2294 T N -0.299 114.143 114.554 -0.185 0.000 2.737 2294 T HA -0.129 4.221 4.350 0.001 0.000 0.269 2294 T C 2.003 176.833 174.700 0.216 0.000 1.040 2294 T CA 1.941 64.186 62.100 0.242 0.000 1.142 2294 T CB -0.932 67.938 68.868 0.004 0.000 0.861 2294 T HN 0.274 nan 8.240 nan 0.000 0.456 2295 G N 0.064 108.887 108.800 0.039 0.000 3.042 2295 G HA2 0.403 4.363 3.960 0.001 0.000 0.212 2295 G HA3 0.403 4.363 3.960 0.001 0.000 0.212 2295 G C 0.707 175.671 174.900 0.107 0.000 1.166 2295 G CA 0.212 45.358 45.100 0.076 0.000 0.767 2295 G HN 0.796 nan 8.290 nan 0.000 0.546 2296 A N -0.065 122.827 122.820 0.120 0.000 2.610 2296 A HA -0.142 4.178 4.320 0.001 0.000 0.299 2296 A C 1.494 179.087 177.584 0.014 0.000 1.487 2296 A CA 1.376 53.462 52.037 0.081 0.000 0.743 2296 A CB -1.393 17.668 19.000 0.101 0.000 1.070 2296 A HN 0.300 nan 8.150 nan 0.000 0.439 2297 K N -1.208 119.210 120.400 0.030 0.000 2.425 2297 K HA 0.147 4.467 4.320 0.001 0.000 0.201 2297 K C 2.133 178.756 176.600 0.038 0.000 1.128 2297 K CA 0.891 57.196 56.287 0.031 0.000 1.000 2297 K CB -0.175 32.358 32.500 0.056 0.000 0.961 2297 K HN 0.665 nan 8.250 nan 0.000 0.555 2298 G N 2.382 111.203 108.800 0.036 0.000 2.586 2298 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 2298 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 2298 G C 1.404 176.353 174.900 0.081 0.000 1.216 2298 G CA 0.952 46.085 45.100 0.055 0.000 0.786 2298 G HN 0.217 nan 8.290 nan 0.000 0.583 2299 L N 1.301 122.565 121.223 0.069 0.000 2.093 2299 L HA 0.037 4.378 4.340 0.001 0.000 0.208 2299 L C 2.392 179.317 176.870 0.092 0.000 1.085 2299 L CA 1.680 56.567 54.840 0.079 0.000 0.755 2299 L CB -0.810 41.292 42.059 0.072 0.000 0.904 2299 L HN 0.195 nan 8.230 nan 0.000 0.435 2300 N N -0.418 118.332 118.700 0.084 0.000 2.166 2300 N HA -0.196 4.545 4.740 0.001 0.000 0.186 2300 N C 1.951 177.523 175.510 0.104 0.000 1.019 2300 N CA 1.561 54.669 53.050 0.097 0.000 0.856 2300 N CB -0.245 38.284 38.487 0.070 0.000 0.993 2300 N HN 0.393 nan 8.380 nan 0.000 0.426 2301 L N 1.021 122.290 121.223 0.078 0.000 2.093 2301 L HA -0.097 4.244 4.340 0.001 0.000 0.208 2301 L C 2.522 179.464 176.870 0.120 0.000 1.085 2301 L CA 0.766 55.636 54.840 0.050 0.000 0.755 2301 L CB -0.446 41.605 42.059 -0.014 0.000 0.904 2301 L HN 0.113 nan 8.230 nan 0.000 0.435 2302 A N 0.060 122.980 122.820 0.166 0.000 1.908 2302 A HA -0.260 4.061 4.320 0.001 0.000 0.218 2302 A C 2.503 180.159 177.584 0.119 0.000 1.181 2302 A CA 1.912 54.041 52.037 0.152 0.000 0.627 2302 A CB -0.725 18.340 19.000 0.109 0.000 0.818 2302 A HN 0.449 nan 8.150 nan 0.000 0.445 2303 A N 0.228 123.117 122.820 0.115 0.000 1.908 2303 A HA -0.134 4.187 4.320 0.001 0.000 0.218 2303 A C 2.537 180.173 177.584 0.086 0.000 1.181 2303 A CA 2.593 54.705 52.037 0.125 0.000 0.627 2303 A CB -1.000 18.104 19.000 0.174 0.000 0.818 2303 A HN 1.089 nan 8.150 nan 0.000 0.445 2304 S N -0.371 115.340 115.700 0.018 0.000 2.428 2304 S HA -0.126 4.345 4.470 0.001 0.000 0.230 2304 S C 1.374 175.912 174.600 -0.104 0.000 1.014 2304 S CA 1.219 59.296 58.200 -0.205 0.000 0.957 2304 S CB -0.392 62.608 63.200 -0.333 0.000 0.784 2304 S HN 0.477 nan 8.310 nan 0.000 0.499 2305 D N 1.821 122.231 120.400 0.018 0.000 2.097 2305 D HA -0.028 4.613 4.640 0.001 0.000 0.195 2305 D C 2.126 178.543 176.300 0.195 0.000 0.989 2305 D CA 1.056 55.122 54.000 0.111 0.000 0.827 2305 D CB -0.649 40.280 40.800 0.215 0.000 0.966 2305 D HN 0.300 nan 8.370 nan 0.000 0.456 2306 V N 0.467 120.467 119.914 0.144 0.000 2.407 2306 V HA -0.215 3.905 4.120 0.001 0.000 0.248 2306 V C 2.584 178.766 176.094 0.147 0.000 1.055 2306 V CA 1.594 63.974 62.300 0.135 0.000 1.049 2306 V CB -0.389 31.494 31.823 0.100 0.000 0.662 2306 V HN 0.154 nan 8.190 nan 0.000 0.455 2307 S N -0.614 115.151 115.700 0.108 0.000 2.348 2307 S HA -0.211 4.259 4.470 0.001 0.000 0.221 2307 S C 2.126 176.801 174.600 0.126 0.000 1.033 2307 S CA 2.247 60.525 58.200 0.129 0.000 1.010 2307 S CB -0.316 62.874 63.200 -0.018 0.000 0.891 2307 S HN 0.729 nan 8.310 nan 0.000 0.442 2308 T N 2.476 117.063 114.554 0.056 0.000 2.708 2308 T HA -0.058 4.293 4.350 0.001 0.000 0.266 2308 T C 1.716 176.474 174.700 0.098 0.000 1.037 2308 T CA 1.212 63.348 62.100 0.059 0.000 1.146 2308 T CB -0.453 68.438 68.868 0.039 0.000 0.865 2308 T HN 0.192 nan 8.240 nan 0.000 0.435 2309 L N 0.725 122.047 121.223 0.164 0.000 2.017 2309 L HA -0.057 4.283 4.340 0.001 0.000 0.208 2309 L C 2.195 178.988 176.870 -0.128 0.000 1.073 2309 L CA 1.716 56.488 54.840 -0.113 0.000 0.745 2309 L CB -1.124 40.827 42.059 -0.180 0.000 0.894 2309 L HN 0.355 nan 8.230 nan 0.000 0.432 2310 Y N 0.619 120.871 120.300 -0.080 0.000 2.081 2310 Y HA -0.304 4.247 4.550 0.001 0.000 0.280 2310 Y C 2.658 178.527 175.900 -0.051 0.000 1.163 2310 Y CA 2.201 60.270 58.100 -0.052 0.000 1.135 2310 Y CB -0.486 37.970 38.460 -0.006 0.000 0.970 2310 Y HN 0.161 nan 8.280 nan 0.000 0.498 2311 R N -0.015 120.209 120.500 -0.460 0.000 2.092 2311 R HA -0.090 4.251 4.340 0.001 0.000 0.231 2311 R C 2.375 178.485 176.300 -0.315 0.000 1.119 2311 R CA 1.763 57.572 56.100 -0.485 0.000 0.970 2311 R CB -0.427 29.747 30.300 -0.210 0.000 0.864 2311 R HN 0.399 nan 8.270 nan 0.000 0.440 2312 L N 0.256 121.334 121.223 -0.242 0.000 2.156 2312 L HA -0.112 4.229 4.340 0.001 0.000 0.208 2312 L C 2.176 178.858 176.870 -0.314 0.000 1.095 2312 L CA 0.817 55.514 54.840 -0.237 0.000 0.770 2312 L CB -0.300 41.634 42.059 -0.209 0.000 0.914 2312 L HN 0.197 nan 8.230 nan 0.000 0.439 2313 L N -0.610 120.398 121.223 -0.359 0.000 2.005 2313 L HA -0.231 4.109 4.340 0.001 0.000 0.207 2313 L C 2.543 179.348 176.870 -0.108 0.000 1.072 2313 L CA 1.089 55.729 54.840 -0.333 0.000 0.744 2313 L CB -0.437 41.490 42.059 -0.220 0.000 0.895 2313 L HN 0.235 nan 8.230 nan 0.000 0.433 2314 L N -0.119 121.024 121.223 -0.133 0.000 2.051 2314 L HA -0.291 4.050 4.340 0.001 0.000 0.214 2314 L C 2.778 179.621 176.870 -0.045 0.000 1.076 2314 L CA 1.592 56.383 54.840 -0.082 0.000 0.758 2314 L CB -0.330 41.542 42.059 -0.312 0.000 0.890 2314 L HN 0.319 nan 8.230 nan 0.000 0.433 2315 K N -0.325 120.006 120.400 -0.116 0.000 2.057 2315 K HA -0.078 4.243 4.320 0.001 0.000 0.206 2315 K C 2.049 178.612 176.600 -0.062 0.000 1.050 2315 K CA 1.348 57.586 56.287 -0.081 0.000 0.935 2315 K CB -0.569 31.872 32.500 -0.099 0.000 0.715 2315 K HN 0.378 nan 8.250 nan 0.000 0.439 2316 A N 0.346 123.094 122.820 -0.121 0.000 1.877 2316 A HA -0.174 4.146 4.320 0.001 0.000 0.216 2316 A C 2.087 179.619 177.584 -0.087 0.000 1.186 2316 A CA 1.285 53.231 52.037 -0.151 0.000 0.620 2316 A CB -0.714 18.105 19.000 -0.302 0.000 0.822 2316 A HN 0.209 nan 8.150 nan 0.000 0.443 2317 Y N -0.708 119.584 120.300 -0.013 0.000 2.060 2317 Y HA -0.176 4.374 4.550 0.001 0.000 0.276 2317 Y C 2.629 178.530 175.900 0.003 0.000 1.127 2317 Y CA 2.020 60.132 58.100 0.020 0.000 1.104 2317 Y CB -0.726 37.746 38.460 0.020 0.000 0.983 2317 Y HN 0.193 nan 8.280 nan 0.000 0.483 2318 R N 0.348 120.947 120.500 0.165 0.000 2.140 2318 R HA -0.224 4.117 4.340 0.001 0.000 0.250 2318 R C 1.579 177.909 176.300 0.050 0.000 1.150 2318 R CA 2.205 58.352 56.100 0.078 0.000 0.966 2318 R CB -0.286 30.036 30.300 0.037 0.000 0.869 2318 R HN 0.494 nan 8.270 nan 0.000 0.445 2319 E N -1.479 118.741 120.200 0.032 0.000 2.474 2319 E HA 0.153 4.504 4.350 0.001 0.000 0.195 2319 E C 0.355 176.966 176.600 0.020 0.000 1.039 2319 E CA 0.297 56.707 56.400 0.017 0.000 0.881 2319 E CB 0.830 30.529 29.700 -0.002 0.000 0.970 2319 E HN 0.466 nan 8.360 nan 0.000 0.486 2320 G N 2.769 111.590 108.800 0.036 0.000 2.366 2320 G HA2 -0.332 3.629 3.960 0.001 0.000 0.299 2320 G HA3 -0.332 3.629 3.960 0.001 0.000 0.299 2320 G C -0.169 174.736 174.900 0.009 0.000 1.020 2320 G CA 0.375 45.495 45.100 0.033 0.000 1.026 2320 G HN 0.170 nan 8.290 nan 0.000 0.512 2321 R N -0.707 119.786 120.500 -0.011 0.000 2.631 2321 R HA 0.388 4.728 4.340 0.001 0.000 0.289 2321 R C 1.401 177.683 176.300 -0.030 0.000 1.303 2321 R CA -0.303 55.789 56.100 -0.013 0.000 0.989 2321 R CB 1.121 31.414 30.300 -0.011 0.000 1.208 2321 R HN 0.259 nan 8.270 nan 0.000 0.461 2322 G N 2.461 111.260 108.800 -0.002 0.000 2.421 2322 G HA2 -0.276 3.684 3.960 0.001 0.000 0.216 2322 G HA3 -0.276 3.684 3.960 0.001 0.000 0.216 2322 G C 1.304 176.209 174.900 0.008 0.000 1.171 2322 G CA 0.612 45.725 45.100 0.020 0.000 0.775 2322 G HN 0.643 nan 8.290 nan 0.000 0.543 2323 E N 1.607 121.819 120.200 0.020 0.000 2.339 2323 E HA -0.208 4.142 4.350 0.001 0.000 0.201 2323 E C 2.257 178.863 176.600 0.010 0.000 1.015 2323 E CA 0.848 57.261 56.400 0.023 0.000 0.841 2323 E CB -0.931 28.780 29.700 0.018 0.000 0.754 2323 E HN 0.532 nan 8.360 nan 0.000 0.508 2324 L N 0.129 121.340 121.223 -0.019 0.000 2.083 2324 L HA -0.112 4.228 4.340 0.001 0.000 0.209 2324 L C 2.699 179.551 176.870 -0.030 0.000 1.083 2324 L CA 0.932 55.754 54.840 -0.031 0.000 0.752 2324 L CB -0.650 41.373 42.059 -0.061 0.000 0.899 2324 L HN 0.063 nan 8.230 nan 0.000 0.433 2325 L N -0.095 121.094 121.223 -0.057 0.000 2.447 2325 L HA -0.188 4.153 4.340 0.001 0.000 0.225 2325 L C 2.310 179.262 176.870 0.136 0.000 1.148 2325 L CA 0.889 55.694 54.840 -0.057 0.000 0.808 2325 L CB -0.548 41.434 42.059 -0.129 0.000 0.928 2325 L HN 0.349 nan 8.230 nan 0.000 0.448 2326 E N -0.142 120.125 120.200 0.110 0.000 2.268 2326 E HA -0.172 4.178 4.350 0.001 0.000 0.195 2326 E C 1.972 178.653 176.600 0.134 0.000 0.995 2326 E CA 0.482 56.961 56.400 0.132 0.000 0.836 2326 E CB 0.003 29.750 29.700 0.078 0.000 0.763 2326 E HN 0.420 nan 8.360 nan 0.000 0.491 2327 R N -0.308 120.255 120.500 0.106 0.000 2.310 2327 R HA -0.031 4.309 4.340 0.001 0.000 0.202 2327 R C 1.656 178.022 176.300 0.109 0.000 0.933 2327 R CA -0.026 56.123 56.100 0.082 0.000 1.054 2327 R CB 0.016 30.339 30.300 0.037 0.000 0.985 2327 R HN 0.213 nan 8.270 nan 0.000 0.489 2328 Y N 0.967 121.288 120.300 0.036 0.000 2.040 2328 Y HA -0.355 4.196 4.550 0.001 0.000 0.275 2328 Y C 2.196 178.133 175.900 0.062 0.000 1.171 2328 Y CA 2.157 60.278 58.100 0.036 0.000 1.123 2328 Y CB -0.506 38.009 38.460 0.091 0.000 0.963 2328 Y HN -0.068 nan 8.280 nan 0.000 0.493 2329 S N 0.446 116.172 115.700 0.043 0.000 2.359 2329 S HA -0.304 4.167 4.470 0.001 0.000 0.223 2329 S C 2.275 176.820 174.600 -0.092 0.000 1.039 2329 S CA 1.527 59.685 58.200 -0.071 0.000 1.042 2329 S CB -1.111 62.146 63.200 0.095 0.000 0.915 2329 S HN 0.696 nan 8.310 nan 0.000 0.439 2330 A N 1.147 123.954 122.820 -0.021 0.000 1.908 2330 A HA -0.096 4.225 4.320 0.001 0.000 0.218 2330 A C 2.100 179.652 177.584 -0.055 0.000 1.181 2330 A CA 1.431 53.458 52.037 -0.017 0.000 0.627 2330 A CB -0.751 18.253 19.000 0.006 0.000 0.818 2330 A HN 0.499 nan 8.150 nan 0.000 0.445 2331 I N -0.721 119.798 120.570 -0.086 0.000 2.142 2331 I HA -0.320 3.850 4.170 0.001 0.000 0.240 2331 I C 2.582 178.607 176.117 -0.154 0.000 1.078 2331 I CA 1.306 62.545 61.300 -0.102 0.000 1.343 2331 I CB -0.562 37.382 38.000 -0.095 0.000 1.046 2331 I HN 0.384 nan 8.210 nan 0.000 0.405 2332 C N 0.731 119.871 119.300 -0.267 0.000 2.413 2332 C HA -0.156 4.305 4.460 0.001 0.000 0.276 2332 C C 2.752 177.616 174.990 -0.210 0.000 1.236 2332 C CA 0.591 59.435 59.018 -0.290 0.000 1.735 2332 C CB -1.084 26.372 27.740 -0.472 0.000 2.031 2332 C HN 0.455 nan 8.230 nan 0.000 0.474 2333 L N 0.216 121.343 121.223 -0.160 0.000 2.129 2333 L HA -0.207 4.133 4.340 0.001 0.000 0.212 2333 L C 2.886 179.755 176.870 -0.002 0.000 1.087 2333 L CA 1.486 56.270 54.840 -0.093 0.000 0.757 2333 L CB -0.610 41.466 42.059 0.028 0.000 0.896 2333 L HN 0.387 nan 8.230 nan 0.000 0.434 2334 R N -0.491 120.006 120.500 -0.005 0.000 2.081 2334 R HA -0.177 4.163 4.340 0.001 0.000 0.235 2334 R C 2.421 178.720 176.300 -0.001 0.000 1.131 2334 R CA 1.406 57.522 56.100 0.026 0.000 0.960 2334 R CB -0.224 30.073 30.300 -0.004 0.000 0.856 2334 R HN 0.281 nan 8.270 nan 0.000 0.436 2335 R N 0.729 121.189 120.500 -0.068 0.000 2.075 2335 R HA -0.013 4.328 4.340 0.001 0.000 0.226 2335 R C 2.168 178.389 176.300 -0.132 0.000 1.114 2335 R CA 0.908 56.959 56.100 -0.082 0.000 0.972 2335 R CB -0.129 30.105 30.300 -0.109 0.000 0.869 2335 R HN 0.094 nan 8.270 nan 0.000 0.437 2336 I N -0.545 119.878 120.570 -0.245 0.000 2.118 2336 I HA -0.333 3.838 4.170 0.001 0.000 0.241 2336 I C 1.803 177.701 176.117 -0.365 0.000 1.070 2336 I CA 1.751 62.790 61.300 -0.435 0.000 1.327 2336 I CB -0.346 37.268 38.000 -0.644 0.000 1.034 2336 I HN 0.318 nan 8.210 nan 0.000 0.405 2337 W N 1.230 122.443 121.300 -0.145 0.000 2.374 2337 W HA -0.177 4.484 4.660 0.001 0.000 0.288 2337 W C 2.595 179.080 176.519 -0.056 0.000 1.218 2337 W CA 0.917 58.189 57.345 -0.121 0.000 1.245 2337 W CB -0.158 29.211 29.460 -0.152 0.000 1.126 2337 W HN -0.005 nan 8.180 nan 0.000 0.545 2338 K N -0.223 120.269 120.400 0.153 0.000 2.057 2338 K HA -0.094 4.227 4.320 0.001 0.000 0.206 2338 K C 2.259 178.943 176.600 0.139 0.000 1.050 2338 K CA 1.385 57.748 56.287 0.127 0.000 0.935 2338 K CB -0.554 31.983 32.500 0.061 0.000 0.715 2338 K HN 0.089 nan 8.250 nan 0.000 0.439 2339 A N 1.573 124.433 122.820 0.067 0.000 1.930 2339 A HA -0.154 4.166 4.320 0.001 0.000 0.217 2339 A C 1.922 179.587 177.584 0.135 0.000 1.175 2339 A CA 1.249 53.342 52.037 0.093 0.000 0.627 2339 A CB -0.201 18.795 19.000 -0.008 0.000 0.815 2339 A HN 0.148 nan 8.150 nan 0.000 0.443 2340 E N -0.228 120.012 120.200 0.066 0.000 2.051 2340 E HA -0.201 4.149 4.350 0.001 0.000 0.192 2340 E C 2.210 178.996 176.600 0.311 0.000 0.991 2340 E CA 1.121 57.588 56.400 0.111 0.000 0.799 2340 E CB -0.377 29.306 29.700 -0.028 0.000 0.748 2340 E HN 0.663 nan 8.360 nan 0.000 0.449 2341 R N -0.054 120.655 120.500 0.349 0.000 2.073 2341 R HA -0.161 4.180 4.340 0.001 0.000 0.234 2341 R C 2.352 178.989 176.300 0.561 0.000 1.134 2341 R CA 1.315 57.691 56.100 0.460 0.000 0.952 2341 R CB -0.439 30.061 30.300 0.333 0.000 0.850 2341 R HN 0.123 nan 8.270 nan 0.000 0.433 2342 F N 1.346 121.452 119.950 0.260 0.000 2.134 2342 F HA -0.120 4.407 4.527 0.001 0.000 0.299 2342 F C 2.248 178.191 175.800 0.239 0.000 1.097 2342 F CA 1.812 59.947 58.000 0.225 0.000 1.264 2342 F CB -0.331 38.736 39.000 0.112 0.000 1.001 2342 F HN -0.018 nan 8.300 nan 0.000 0.479 2343 S N -0.492 115.300 115.700 0.153 0.000 2.383 2343 S HA -0.232 4.238 4.470 0.001 0.000 0.227 2343 S C 1.591 176.169 174.600 -0.036 0.000 1.026 2343 S CA 1.182 59.365 58.200 -0.029 0.000 0.981 2343 S CB -0.976 62.248 63.200 0.040 0.000 0.818 2343 S HN 0.739 nan 8.310 nan 0.000 0.472 2344 W N 1.173 122.494 121.300 0.035 0.000 2.381 2344 W HA -0.100 4.560 4.660 0.001 0.000 0.301 2344 W C 1.912 178.457 176.519 0.043 0.000 1.205 2344 W CA 0.842 58.238 57.345 0.086 0.000 1.285 2344 W CB -0.671 28.901 29.460 0.187 0.000 1.133 2344 W HN 0.368 nan 8.180 nan 0.000 0.521 2345 W N 1.072 121.993 121.300 -0.631 0.000 2.354 2345 W HA -0.260 4.400 4.660 0.001 0.000 0.315 2345 W C 2.380 178.454 176.519 -0.742 0.000 1.206 2345 W CA 2.882 59.660 57.345 -0.944 0.000 1.290 2345 W CB -0.763 28.435 29.460 -0.436 0.000 1.152 2345 W HN -0.212 nan 8.180 nan 0.000 0.489 2346 M N 0.057 119.289 119.600 -0.614 0.000 2.108 2346 M HA -0.209 4.271 4.480 0.001 0.000 0.261 2346 M C 1.812 177.754 176.300 -0.597 0.000 1.066 2346 M CA 2.317 57.192 55.300 -0.708 0.000 1.107 2346 M CB -1.838 30.403 32.600 -0.598 0.000 1.356 2346 M HN 0.005 nan 8.290 nan 0.000 0.406 2347 T N 0.459 114.718 114.554 -0.492 0.000 2.777 2347 T HA -0.089 4.261 4.350 0.001 0.000 0.266 2347 T C 1.963 176.542 174.700 -0.201 0.000 1.040 2347 T CA 1.914 63.814 62.100 -0.333 0.000 1.141 2347 T CB -0.307 68.222 68.868 -0.564 0.000 0.868 2347 T HN 0.591 nan 8.240 nan 0.000 0.444 2348 S N 1.870 117.290 115.700 -0.467 0.000 2.402 2348 S HA -0.083 4.388 4.470 0.001 0.000 0.229 2348 S C 2.243 176.640 174.600 -0.340 0.000 1.021 2348 S CA 1.176 59.190 58.200 -0.310 0.000 0.974 2348 S CB -0.712 62.041 63.200 -0.745 0.000 0.800 2348 S HN 0.466 nan 8.310 nan 0.000 0.484 2349 V N -1.071 118.426 119.914 -0.695 0.000 3.235 2349 V HA 0.350 4.471 4.120 0.001 0.000 0.259 2349 V C 1.921 177.794 176.094 -0.369 0.000 1.133 2349 V CA 0.783 62.710 62.300 -0.621 0.000 1.128 2349 V CB -0.786 30.418 31.823 -1.032 0.000 0.757 2349 V HN 0.488 nan 8.190 nan 0.000 0.469 2350 L N -0.879 120.165 121.223 -0.298 0.000 2.515 2350 L HA 0.397 4.738 4.340 0.001 0.000 0.223 2350 L C 0.805 177.561 176.870 -0.190 0.000 1.079 2350 L CA 0.103 54.830 54.840 -0.187 0.000 0.857 2350 L CB -0.130 41.823 42.059 -0.176 0.000 1.050 2350 L HN 0.381 nan 8.230 nan 0.000 0.476 2351 H N -0.331 118.612 119.070 -0.212 0.000 2.525 2351 H HA 0.442 4.998 4.556 0.001 0.000 0.340 2351 H C -0.237 174.981 175.328 -0.182 0.000 1.168 2351 H CA -0.726 55.092 56.048 -0.383 0.000 1.247 2351 H CB 0.817 29.939 29.762 -1.067 0.000 1.568 2351 H HN -0.234 nan 8.280 nan 0.000 0.536 2352 R N 1.674 122.107 120.500 -0.111 0.000 2.265 2352 R HA 0.273 4.614 4.340 0.001 0.000 0.319 2352 R C -1.031 175.298 176.300 0.048 0.000 1.006 2352 R CA -0.540 55.599 56.100 0.064 0.000 0.880 2352 R CB -0.248 30.083 30.300 0.051 0.000 1.077 2352 R HN 0.404 nan 8.270 nan 0.000 0.454 2353 F N 3.015 123.059 119.950 0.156 0.000 2.432 2353 F HA 0.447 4.975 4.527 0.001 0.000 0.329 2353 F C -1.447 174.466 175.800 0.189 0.000 1.076 2353 F CA -2.515 55.642 58.000 0.262 0.000 1.018 2353 F CB 0.673 39.823 39.000 0.249 0.000 1.201 2353 F HN 0.309 nan 8.300 nan 0.000 0.489 2354 P HA 0.080 nan 4.420 nan 0.000 0.268 2354 P C -0.863 176.563 177.300 0.209 0.000 1.205 2354 P CA 0.066 63.309 63.100 0.238 0.000 0.771 2354 P CB 0.323 32.144 31.700 0.202 0.000 0.858 2355 D N -0.150 120.343 120.400 0.154 0.000 2.735 2355 D HA -0.129 4.511 4.640 0.001 0.000 0.235 2355 D C -0.592 175.784 176.300 0.126 0.000 1.175 2355 D CA 1.118 55.192 54.000 0.124 0.000 0.683 2355 D CB -1.672 39.191 40.800 0.106 0.000 1.008 2355 D HN 0.279 nan 8.370 nan 0.000 0.416 2356 T N 1.120 115.754 114.554 0.134 0.000 2.837 2356 T HA 0.365 4.715 4.350 0.001 0.000 0.285 2356 T C 0.511 175.271 174.700 0.101 0.000 0.984 2356 T CA -0.898 61.274 62.100 0.120 0.000 1.049 2356 T CB 1.853 70.802 68.868 0.135 0.000 0.947 2356 T HN 0.222 nan 8.240 nan 0.000 0.472 2357 D N 1.702 122.163 120.400 0.101 0.000 2.466 2357 D HA 0.459 5.100 4.640 0.001 0.000 0.262 2357 D C 1.454 177.820 176.300 0.110 0.000 1.177 2357 D CA -0.739 53.322 54.000 0.102 0.000 1.035 2357 D CB 0.343 41.206 40.800 0.104 0.000 1.105 2357 D HN 0.402 nan 8.370 nan 0.000 0.551 2358 A N -0.014 122.873 122.820 0.110 0.000 1.917 2358 A HA -0.187 4.133 4.320 0.001 0.000 0.219 2358 A C 2.047 179.709 177.584 0.130 0.000 1.182 2358 A CA 1.626 53.725 52.037 0.105 0.000 0.633 2358 A CB -1.272 17.790 19.000 0.102 0.000 0.819 2358 A HN 0.612 nan 8.150 nan 0.000 0.448 2359 F N 0.860 120.825 119.950 0.025 0.000 2.102 2359 F HA -0.167 4.361 4.527 0.001 0.000 0.298 2359 F C 2.663 178.476 175.800 0.021 0.000 1.105 2359 F CA 1.954 59.968 58.000 0.022 0.000 1.239 2359 F CB -0.224 38.788 39.000 0.020 0.000 0.991 2359 F HN 0.204 nan 8.300 nan 0.000 0.474 2360 S N 0.109 115.869 115.700 0.101 0.000 2.370 2360 S HA -0.247 4.223 4.470 0.001 0.000 0.226 2360 S C 1.881 176.431 174.600 -0.084 0.000 1.033 2360 S CA 1.559 59.751 58.200 -0.014 0.000 1.011 2360 S CB -0.407 62.826 63.200 0.055 0.000 0.852 2360 S HN 0.526 nan 8.310 nan 0.000 0.457 2361 Q N 0.256 120.038 119.800 -0.030 0.000 2.084 2361 Q HA -0.054 4.286 4.340 0.001 0.000 0.202 2361 Q C 2.406 178.363 176.000 -0.072 0.000 0.978 2361 Q CA 0.835 56.623 55.803 -0.026 0.000 0.844 2361 Q CB -0.179 28.567 28.738 0.014 0.000 0.898 2361 Q HN 0.321 nan 8.270 nan 0.000 0.426 2362 R N 0.503 120.934 120.500 -0.115 0.000 2.075 2362 R HA -0.053 4.287 4.340 0.001 0.000 0.232 2362 R C 2.228 178.408 176.300 -0.201 0.000 1.126 2362 R CA 0.778 56.796 56.100 -0.136 0.000 0.963 2362 R CB -0.365 29.847 30.300 -0.147 0.000 0.858 2362 R HN 0.296 nan 8.270 nan 0.000 0.435 2363 I N 1.201 121.562 120.570 -0.349 0.000 2.286 2363 I HA -0.277 3.894 4.170 0.001 0.000 0.248 2363 I C 2.549 178.575 176.117 -0.152 0.000 1.115 2363 I CA 1.252 62.366 61.300 -0.310 0.000 1.392 2363 I CB -1.018 36.734 38.000 -0.413 0.000 1.065 2363 I HN 0.301 nan 8.210 nan 0.000 0.418 2364 Q N 0.886 120.603 119.800 -0.140 0.000 2.084 2364 Q HA -0.266 4.074 4.340 0.001 0.000 0.202 2364 Q C 2.269 178.198 176.000 -0.119 0.000 0.978 2364 Q CA 1.883 57.610 55.803 -0.127 0.000 0.844 2364 Q CB -0.075 28.600 28.738 -0.106 0.000 0.898 2364 Q HN 0.621 nan 8.270 nan 0.000 0.426 2365 Q N -0.422 119.328 119.800 -0.082 0.000 2.050 2365 Q HA -0.141 4.199 4.340 0.001 0.000 0.202 2365 Q C 1.624 177.602 176.000 -0.036 0.000 0.980 2365 Q CA 2.002 57.778 55.803 -0.045 0.000 0.840 2365 Q CB -0.120 28.626 28.738 0.014 0.000 0.898 2365 Q HN 0.326 nan 8.270 nan 0.000 0.424 2366 T N 1.387 115.928 114.554 -0.021 0.000 2.867 2366 T HA -0.098 4.253 4.350 0.001 0.000 0.268 2366 T C 1.511 176.262 174.700 0.084 0.000 1.057 2366 T CA 1.116 63.232 62.100 0.028 0.000 1.136 2366 T CB -0.097 68.766 68.868 -0.008 0.000 0.874 2366 T HN 0.331 nan 8.240 nan 0.000 0.466 2367 E N 1.086 121.326 120.200 0.067 0.000 2.051 2367 E HA -0.057 4.294 4.350 0.001 0.000 0.192 2367 E C 2.292 179.045 176.600 0.254 0.000 0.991 2367 E CA 0.890 57.428 56.400 0.230 0.000 0.799 2367 E CB -0.330 29.436 29.700 0.110 0.000 0.748 2367 E HN 0.472 nan 8.360 nan 0.000 0.449 2368 L N 0.642 121.809 121.223 -0.094 0.000 2.017 2368 L HA -0.188 4.153 4.340 0.001 0.000 0.208 2368 L C 2.436 179.127 176.870 -0.299 0.000 1.073 2368 L CA 1.217 55.820 54.840 -0.395 0.000 0.745 2368 L CB -0.394 41.006 42.059 -1.099 0.000 0.894 2368 L HN 0.099 nan 8.230 nan 0.000 0.432 2369 E N -0.777 119.347 120.200 -0.126 0.000 2.085 2369 E HA -0.286 4.064 4.350 0.001 0.000 0.194 2369 E C 1.995 178.688 176.600 0.155 0.000 0.994 2369 E CA 1.797 58.288 56.400 0.153 0.000 0.801 2369 E CB -0.196 29.629 29.700 0.209 0.000 0.743 2369 E HN 0.463 nan 8.360 nan 0.000 0.453 2370 Y N -0.353 119.976 120.300 0.049 0.000 2.153 2370 Y HA -0.255 4.295 4.550 0.001 0.000 0.289 2370 Y C 1.807 177.672 175.900 -0.058 0.000 1.127 2370 Y CA 1.493 59.580 58.100 -0.022 0.000 1.131 2370 Y CB -0.204 38.206 38.460 -0.083 0.000 0.995 2370 Y HN 0.022 nan 8.280 nan 0.000 0.505 2371 Y N -0.636 119.647 120.300 -0.028 0.000 2.352 2371 Y HA -0.157 4.394 4.550 0.001 0.000 0.292 2371 Y C 1.611 177.467 175.900 -0.073 0.000 1.136 2371 Y CA 0.798 58.847 58.100 -0.084 0.000 1.227 2371 Y CB -0.084 38.504 38.460 0.214 0.000 0.991 2371 Y HN 0.176 nan 8.280 nan 0.000 0.545 2372 L N -1.715 119.566 121.223 0.097 0.000 2.607 2372 L HA 0.244 4.584 4.340 0.001 0.000 0.228 2372 L C 1.882 178.796 176.870 0.072 0.000 1.123 2372 L CA 0.675 55.585 54.840 0.117 0.000 0.890 2372 L CB -0.226 41.966 42.059 0.223 0.000 1.103 2372 L HN 0.132 nan 8.230 nan 0.000 0.468 2373 G N -2.253 106.536 108.800 -0.018 0.000 3.342 2373 G HA2 0.157 4.118 3.960 0.001 0.000 0.252 2373 G HA3 0.157 4.118 3.960 0.001 0.000 0.252 2373 G C 0.200 175.032 174.900 -0.113 0.000 1.011 2373 G CA 0.338 45.425 45.100 -0.021 0.000 0.869 2373 G HN 0.205 nan 8.290 nan 0.000 0.514 2374 S N -0.196 115.347 115.700 -0.262 0.000 2.502 2374 S HA 0.404 4.875 4.470 0.001 0.000 0.304 2374 S C 0.840 175.306 174.600 -0.224 0.000 1.097 2374 S CA -0.412 57.605 58.200 -0.305 0.000 1.045 2374 S CB 1.837 64.641 63.200 -0.659 0.000 1.019 2374 S HN 0.011 nan 8.310 nan 0.000 0.481 2375 E N 3.284 123.406 120.200 -0.129 0.000 2.070 2375 E HA -0.152 4.199 4.350 0.001 0.000 0.197 2375 E C 2.179 178.720 176.600 -0.098 0.000 1.004 2375 E CA 1.710 58.059 56.400 -0.085 0.000 0.805 2375 E CB -0.577 29.093 29.700 -0.050 0.000 0.744 2375 E HN 0.805 nan 8.360 nan 0.000 0.451 2376 A N 0.797 123.547 122.820 -0.117 0.000 1.902 2376 A HA -0.087 4.233 4.320 0.001 0.000 0.217 2376 A C 2.480 179.983 177.584 -0.136 0.000 1.181 2376 A CA 1.964 53.945 52.037 -0.094 0.000 0.623 2376 A CB -0.995 17.974 19.000 -0.053 0.000 0.818 2376 A HN 0.348 nan 8.150 nan 0.000 0.443 2377 G N -0.225 108.385 108.800 -0.317 0.000 2.421 2377 G HA2 -0.162 3.798 3.960 0.001 0.000 0.216 2377 G HA3 -0.162 3.798 3.960 0.001 0.000 0.216 2377 G C 1.560 176.436 174.900 -0.040 0.000 1.171 2377 G CA 1.010 45.885 45.100 -0.374 0.000 0.775 2377 G HN 0.423 nan 8.290 nan 0.000 0.543 2378 L N 0.635 121.816 121.223 -0.070 0.000 2.083 2378 L HA -0.053 4.287 4.340 0.001 0.000 0.209 2378 L C 3.384 180.263 176.870 0.015 0.000 1.083 2378 L CA 0.960 55.805 54.840 0.008 0.000 0.752 2378 L CB -0.293 41.758 42.059 -0.014 0.000 0.899 2378 L HN 0.320 nan 8.230 nan 0.000 0.433 2379 A N -0.027 122.785 122.820 -0.013 0.000 1.930 2379 A HA -0.208 4.113 4.320 0.001 0.000 0.217 2379 A C 2.439 180.014 177.584 -0.013 0.000 1.175 2379 A CA 2.073 54.102 52.037 -0.013 0.000 0.627 2379 A CB -0.907 18.079 19.000 -0.023 0.000 0.815 2379 A HN 0.528 nan 8.150 nan 0.000 0.443 2380 T N -1.334 113.222 114.554 0.002 0.000 2.788 2380 T HA -0.097 4.254 4.350 0.001 0.000 0.268 2380 T C 1.830 176.501 174.700 -0.049 0.000 1.044 2380 T CA 1.491 63.580 62.100 -0.018 0.000 1.139 2380 T CB -0.590 68.298 68.868 0.033 0.000 0.867 2380 T HN 0.348 nan 8.240 nan 0.000 0.454 2381 I N 1.932 122.523 120.570 0.035 0.000 2.163 2381 I HA -0.064 4.107 4.170 0.001 0.000 0.240 2381 I C 3.272 179.426 176.117 0.062 0.000 1.081 2381 I CA 1.241 62.615 61.300 0.123 0.000 1.353 2381 I CB -0.683 37.445 38.000 0.213 0.000 1.054 2381 I HN 0.349 nan 8.210 nan 0.000 0.407 2382 A N 1.237 124.082 122.820 0.040 0.000 1.902 2382 A HA -0.258 4.063 4.320 0.001 0.000 0.217 2382 A C 2.261 179.841 177.584 -0.007 0.000 1.181 2382 A CA 2.042 54.102 52.037 0.038 0.000 0.623 2382 A CB -0.830 18.183 19.000 0.020 0.000 0.818 2382 A HN 0.653 nan 8.150 nan 0.000 0.443 2383 E N -0.473 119.692 120.200 -0.060 0.000 2.106 2383 E HA -0.198 4.153 4.350 0.001 0.000 0.192 2383 E C 1.580 178.070 176.600 -0.184 0.000 0.984 2383 E CA 1.270 57.615 56.400 -0.092 0.000 0.806 2383 E CB -0.434 29.218 29.700 -0.080 0.000 0.750 2383 E HN 0.597 nan 8.360 nan 0.000 0.458 2384 N N -0.214 118.275 118.700 -0.352 0.000 2.216 2384 N HA -0.126 4.614 4.740 0.001 0.000 0.183 2384 N C 1.607 176.710 175.510 -0.678 0.000 1.017 2384 N CA 1.000 53.625 53.050 -0.709 0.000 0.861 2384 N CB -0.225 37.386 38.487 -1.460 0.000 0.986 2384 N HN 0.257 nan 8.380 nan 0.000 0.428 2385 Y N 2.039 122.029 120.300 -0.516 0.000 2.293 2385 Y HA -0.138 4.413 4.550 0.001 0.000 0.291 2385 Y C 2.270 178.144 175.900 -0.044 0.000 1.137 2385 Y CA 0.940 58.962 58.100 -0.131 0.000 1.202 2385 Y CB 0.041 38.551 38.460 0.082 0.000 0.990 2385 Y HN -0.117 nan 8.280 nan 0.000 0.537 2386 V N -2.161 117.791 119.914 0.064 0.000 3.217 2386 V HA 0.362 4.482 4.120 0.001 0.000 0.264 2386 V C 0.859 176.920 176.094 -0.054 0.000 1.135 2386 V CA 0.532 62.849 62.300 0.029 0.000 1.142 2386 V CB -1.123 30.711 31.823 0.017 0.000 0.754 2386 V HN 0.525 nan 8.190 nan 0.000 0.484 2387 G N 0.371 109.109 108.800 -0.103 0.000 3.067 2387 G HA2 0.014 3.974 3.960 0.001 0.000 0.686 2387 G HA3 0.014 3.974 3.960 0.001 0.000 0.686 2387 G C -1.009 173.848 174.900 -0.073 0.000 1.119 2387 G CA -0.486 44.559 45.100 -0.092 0.000 0.790 2387 G HN 0.290 nan 8.290 nan 0.000 0.605 2388 L N 3.643 124.827 121.223 -0.065 0.000 2.476 2388 L HA 0.485 4.826 4.340 0.001 0.000 0.264 2388 L C -0.784 176.096 176.870 0.015 0.000 1.224 2388 L CA -1.532 53.285 54.840 -0.038 0.000 0.821 2388 L CB -0.342 41.694 42.059 -0.038 0.000 1.101 2388 L HN 0.603 nan 8.230 nan 0.000 0.488 2389 P HA -0.114 nan 4.420 nan 0.000 0.264 2389 P C -0.727 176.663 177.300 0.150 0.000 1.183 2389 P CA 0.105 63.240 63.100 0.057 0.000 0.763 2389 P CB -0.043 31.677 31.700 0.033 0.000 0.807 2390 Y N 1.475 121.766 120.300 -0.014 0.000 2.802 2390 Y HA -0.093 4.457 4.550 0.001 0.000 0.351 2390 Y C 1.731 177.627 175.900 -0.007 0.000 1.237 2390 Y CA -0.553 57.543 58.100 -0.007 0.000 1.599 2390 Y CB 0.130 38.593 38.460 0.005 0.000 1.214 2390 Y HN 0.522 nan 8.280 nan 0.000 0.520 2391 E N 3.368 123.594 120.200 0.043 0.000 2.570 2391 E HA -0.224 4.126 4.350 0.001 0.000 0.274 2391 E C 1.140 177.739 176.600 -0.002 0.000 1.073 2391 E CA 0.663 57.062 56.400 -0.001 0.000 1.005 2391 E CB 0.629 30.301 29.700 -0.048 0.000 1.008 2391 E HN 0.791 nan 8.360 nan 0.000 0.460 2392 E N 4.174 124.374 120.200 0.000 0.000 2.130 2392 E HA -0.208 4.143 4.350 0.001 0.000 0.196 2392 E C 0.731 177.325 176.600 -0.011 0.000 0.998 2392 E CA 1.300 57.701 56.400 0.002 0.000 0.806 2392 E CB -0.641 29.059 29.700 -0.001 0.000 0.738 2392 E HN 0.579 nan 8.360 nan 0.000 0.459 2393 I N 0.474 121.025 120.570 -0.032 0.000 9.313 2393 I HA -0.396 3.775 4.170 0.001 0.000 0.127 2393 I C 0.469 176.570 176.117 -0.027 0.000 1.859 2393 I CA 1.212 62.488 61.300 -0.041 0.000 2.056 2393 I CB -0.714 37.258 38.000 -0.046 0.000 3.975 2393 I HN 0.495 nan 8.210 nan 0.000 0.175 2394 E N 0.000 120.182 120.200 -0.029 0.000 2.725 2394 E HA 0.000 4.351 4.350 0.001 0.000 0.291 2394 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 2394 E CB 0.000 29.683 29.700 -0.029 0.000 0.812 2394 E HN 0.000 nan 8.360 nan 0.000 0.440