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 1lur_1_B DATA FIRST_RESID 2002 DATA SEQUENCE ASGFIEIANK QGLTATLLPF GATLAKLTFP DKNGKNQDLV LGFDTIDEFE DATA SEQUENCE KDAASIGKTV GRVANRIKNS TLHFDGKQYT XTPNNGPHYL HGGPNGLGYR DATA SEQUENCE KWEVVRHAPE SVSFSVRANE QDDGLPGDAK IDVTYTVNDR NQLIIEHHAT DATA SEQUENCE CDTPGLLALT NHAYWNLDGS DTVAEHFLEX EADEFVEVDD TFCPTGAIRS DATA SEQUENCE VTDTGFDFRS GKQLKESGKD AEELLDLDND LVITKKTPXX XXSTYLRFWS DATA SEQUENCE EKSGIELSIT TSYPVIHLYA SKFLDCKGKK GEHYKANKAL AIEPQFHSAA DATA SEQUENCE PNFDHFPDVS LRPGDHYCQE IVYTFSHVN 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 2002 A HA 0.000 nan 4.320 nan 0.000 0.244 2002 A C 0.000 177.568 177.584 -0.027 0.000 1.274 2002 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 2002 A CB 0.000 18.974 19.000 -0.042 0.000 0.831 2003 S N 1.024 116.697 115.700 -0.045 0.000 2.789 2003 S HA 0.651 5.121 4.470 0.000 0.000 0.286 2003 S C 0.456 174.991 174.600 -0.109 0.000 1.153 2003 S CA -0.012 58.166 58.200 -0.036 0.000 1.084 2003 S CB 1.373 64.588 63.200 0.024 0.000 1.036 2003 S HN 1.581 nan 8.310 nan 0.000 0.484 2004 G N 1.298 110.029 108.800 -0.114 0.000 2.563 2004 G HA2 0.584 4.544 3.960 0.000 0.000 0.283 2004 G HA3 0.584 4.544 3.960 0.000 0.000 0.283 2004 G C -0.405 174.396 174.900 -0.166 0.000 1.309 2004 G CA -0.564 44.414 45.100 -0.203 0.000 1.022 2004 G HN 0.460 nan 8.290 nan 0.000 0.501 2005 F N -0.740 119.191 119.950 -0.031 0.000 2.553 2005 F HA 0.319 4.846 4.527 0.000 0.000 0.356 2005 F C 0.915 176.699 175.800 -0.027 0.000 1.142 2005 F CA 0.384 58.355 58.000 -0.049 0.000 1.322 2005 F CB 0.502 39.472 39.000 -0.051 0.000 1.126 2005 F HN -0.022 nan 8.300 nan 0.000 0.599 2006 I N 2.491 123.180 120.570 0.198 0.000 2.447 2006 I HA 0.251 4.421 4.170 0.000 0.000 0.287 2006 I C -0.626 175.531 176.117 0.067 0.000 1.023 2006 I CA -0.605 60.756 61.300 0.101 0.000 1.083 2006 I CB 1.571 39.626 38.000 0.091 0.000 1.245 2006 I HN 0.528 nan 8.210 nan 0.000 0.434 2007 E N 7.314 127.540 120.200 0.042 0.000 2.179 2007 E HA 0.626 4.976 4.350 0.000 0.000 0.275 2007 E C -0.864 175.749 176.600 0.021 0.000 0.945 2007 E CA -0.716 55.692 56.400 0.013 0.000 0.792 2007 E CB 2.990 32.691 29.700 0.001 0.000 1.125 2007 E HN 0.532 nan 8.360 nan 0.000 0.397 2008 I N -1.598 118.980 120.570 0.013 0.000 2.785 2008 I HA 0.922 5.093 4.170 0.000 0.000 0.302 2008 I C -0.885 175.247 176.117 0.024 0.000 1.069 2008 I CA -0.914 60.404 61.300 0.029 0.000 1.045 2008 I CB 2.284 40.310 38.000 0.045 0.000 1.236 2008 I HN 0.559 nan 8.210 nan 0.000 0.429 2009 A N 2.983 125.824 122.820 0.034 0.000 2.586 2009 A HA 0.633 4.953 4.320 0.000 0.000 0.291 2009 A C -1.451 176.160 177.584 0.045 0.000 1.062 2009 A CA -0.754 51.305 52.037 0.036 0.000 0.666 2009 A CB 1.531 20.545 19.000 0.024 0.000 1.281 2009 A HN 0.973 nan 8.150 nan 0.000 0.421 2010 N N -0.234 118.499 118.700 0.055 0.000 2.776 2010 N HA 0.582 5.322 4.740 0.000 0.000 0.319 2010 N C -0.465 175.074 175.510 0.049 0.000 1.316 2010 N CA -0.523 52.562 53.050 0.058 0.000 0.890 2010 N CB 0.197 38.731 38.487 0.078 0.000 1.165 2010 N HN 0.297 nan 8.380 nan 0.000 0.596 2011 K N -1.018 119.410 120.400 0.047 0.000 2.681 2011 K HA 0.289 4.609 4.320 0.000 0.000 0.211 2011 K C -0.264 176.359 176.600 0.039 0.000 1.075 2011 K CA 0.135 56.444 56.287 0.036 0.000 1.141 2011 K CB 0.201 32.718 32.500 0.028 0.000 0.896 2011 K HN 0.513 nan 8.250 nan 0.000 0.470 2012 Q N -1.072 118.762 119.800 0.057 0.000 2.103 2012 Q HA 0.241 4.581 4.340 0.000 0.000 0.219 2012 Q C 0.372 176.403 176.000 0.052 0.000 0.784 2012 Q CA 0.155 55.995 55.803 0.063 0.000 1.014 2012 Q CB 1.496 30.295 28.738 0.101 0.000 1.183 2012 Q HN 0.354 nan 8.270 nan 0.000 0.469 2013 G N 1.176 110.002 108.800 0.042 0.000 2.184 2013 G HA2 -0.211 3.749 3.960 0.000 0.000 0.206 2013 G HA3 -0.211 3.749 3.960 0.000 0.000 0.206 2013 G C -0.520 174.431 174.900 0.086 0.000 0.995 2013 G CA -0.257 44.847 45.100 0.007 0.000 0.651 2013 G HN 0.210 nan 8.290 nan 0.000 0.511 2014 L N 2.764 124.085 121.223 0.163 0.000 2.272 2014 L HA 0.832 5.172 4.340 0.000 0.000 0.289 2014 L C 0.433 177.338 176.870 0.058 0.000 1.032 2014 L CA 0.359 55.302 54.840 0.173 0.000 0.810 2014 L CB 1.500 43.669 42.059 0.183 0.000 1.205 2014 L HN 0.563 nan 8.230 nan 0.000 0.422 2015 T N 2.481 117.039 114.554 0.007 0.000 2.900 2015 T HA 0.948 5.299 4.350 0.000 0.000 0.295 2015 T C -0.758 173.910 174.700 -0.055 0.000 1.044 2015 T CA -0.318 61.773 62.100 -0.015 0.000 0.995 2015 T CB 1.746 70.602 68.868 -0.020 0.000 1.072 2015 T HN 0.959 nan 8.240 nan 0.000 0.473 2016 A N 1.768 124.557 122.820 -0.052 0.000 2.449 2016 A HA 0.780 5.100 4.320 0.000 0.000 0.302 2016 A C -0.287 177.237 177.584 -0.101 0.000 1.048 2016 A CA -0.891 51.092 52.037 -0.089 0.000 0.708 2016 A CB 1.724 20.684 19.000 -0.066 0.000 1.274 2016 A HN 0.901 nan 8.150 nan 0.000 0.410 2017 T N 3.563 118.028 114.554 -0.149 0.000 2.792 2017 T HA 0.574 4.925 4.350 0.000 0.000 0.280 2017 T C -0.483 174.122 174.700 -0.158 0.000 0.990 2017 T CA -0.414 61.602 62.100 -0.141 0.000 0.960 2017 T CB 0.640 69.366 68.868 -0.237 0.000 0.939 2017 T HN 0.416 nan 8.240 nan 0.000 0.439 2018 L N 3.009 124.189 121.223 -0.071 0.000 2.313 2018 L HA 0.712 5.052 4.340 0.000 0.000 0.268 2018 L C -0.484 176.413 176.870 0.046 0.000 1.010 2018 L CA -1.098 53.688 54.840 -0.090 0.000 0.814 2018 L CB 1.450 43.529 42.059 0.032 0.000 1.304 2018 L HN 0.495 nan 8.230 nan 0.000 0.441 2019 L N 2.603 123.742 121.223 -0.141 0.000 2.410 2019 L HA 0.554 4.894 4.340 0.000 0.000 0.270 2019 L C -2.033 174.593 176.870 -0.407 0.000 0.983 2019 L CA -1.369 53.351 54.840 -0.200 0.000 0.822 2019 L CB 2.285 44.139 42.059 -0.341 0.000 1.285 2019 L HN 0.210 nan 8.230 nan 0.000 0.409 2020 P HA -0.154 nan 4.420 nan 0.000 0.216 2020 P C -0.012 177.152 177.300 -0.227 0.000 1.150 2020 P CA 1.030 63.972 63.100 -0.264 0.000 0.837 2020 P CB -0.022 31.755 31.700 0.128 0.000 0.786 2021 F N 0.714 120.533 119.950 -0.218 0.000 2.519 2021 F HA 0.357 4.884 4.527 0.000 0.000 0.375 2021 F C 1.468 177.153 175.800 -0.193 0.000 1.084 2021 F CA 0.746 58.685 58.000 -0.102 0.000 1.147 2021 F CB -0.758 38.198 39.000 -0.074 0.000 1.088 2021 F HN 0.228 nan 8.300 nan 0.000 0.555 2022 G N 4.149 112.601 108.800 -0.581 0.000 2.155 2022 G HA2 -0.083 3.877 3.960 0.000 0.000 0.257 2022 G HA3 -0.083 3.877 3.960 0.000 0.000 0.257 2022 G C 0.689 175.066 174.900 -0.871 0.000 0.983 2022 G CA 0.319 45.059 45.100 -0.600 0.000 0.676 2022 G HN 2.213 nan 8.290 nan 0.000 0.528 2023 A N -1.532 120.494 122.820 -1.324 0.000 2.511 2023 A HA 0.003 4.323 4.320 0.000 0.000 0.297 2023 A C 0.903 178.078 177.584 -0.682 0.000 1.476 2023 A CA 2.050 53.191 52.037 -1.493 0.000 0.757 2023 A CB -2.052 15.760 19.000 -1.981 0.000 1.072 2023 A HN 1.808 nan 8.150 nan 0.000 0.413 2024 T N 0.412 114.626 114.554 -0.566 0.000 2.869 2024 T HA 0.439 4.789 4.350 0.000 0.000 0.295 2024 T C 0.232 174.718 174.700 -0.356 0.000 0.987 2024 T CA 0.099 62.003 62.100 -0.326 0.000 1.109 2024 T CB 1.146 69.856 68.868 -0.264 0.000 0.932 2024 T HN 1.013 nan 8.240 nan 0.000 0.518 2025 L N 3.863 124.929 121.223 -0.262 0.000 2.302 2025 L HA 0.552 4.892 4.340 0.000 0.000 0.285 2025 L C 1.033 177.776 176.870 -0.212 0.000 1.090 2025 L CA -0.202 54.424 54.840 -0.357 0.000 0.866 2025 L CB -0.404 41.512 42.059 -0.238 0.000 1.244 2025 L HN 0.770 nan 8.230 nan 0.000 0.435 2026 A N 5.023 127.704 122.820 -0.231 0.000 1.975 2026 A HA 0.162 4.482 4.320 0.000 0.000 0.215 2026 A C 0.778 178.325 177.584 -0.061 0.000 1.170 2026 A CA 0.915 52.889 52.037 -0.104 0.000 0.656 2026 A CB 0.014 18.832 19.000 -0.304 0.000 0.821 2026 A HN 0.640 nan 8.150 nan 0.000 0.449 2027 K N -1.897 118.400 120.400 -0.172 0.000 2.536 2027 K HA 0.698 5.019 4.320 0.000 0.000 0.269 2027 K C -1.854 174.639 176.600 -0.178 0.000 0.965 2027 K CA -0.479 55.708 56.287 -0.167 0.000 0.860 2027 K CB 2.287 34.682 32.500 -0.174 0.000 1.423 2027 K HN 0.128 nan 8.250 nan 0.000 0.438 2028 L N 1.768 122.896 121.223 -0.158 0.000 2.676 2028 L HA 0.302 4.643 4.340 0.000 0.000 0.262 2028 L C -1.265 175.536 176.870 -0.114 0.000 0.965 2028 L CA -0.199 54.550 54.840 -0.151 0.000 0.920 2028 L CB 1.829 43.798 42.059 -0.150 0.000 1.260 2028 L HN 0.873 nan 8.230 nan 0.000 0.422 2029 T N 0.829 115.330 114.554 -0.088 0.000 2.859 2029 T HA 0.748 5.098 4.350 0.000 0.000 0.281 2029 T C -0.858 173.874 174.700 0.054 0.000 1.005 2029 T CA -0.500 61.587 62.100 -0.021 0.000 1.025 2029 T CB 1.951 70.806 68.868 -0.022 0.000 0.977 2029 T HN 0.336 nan 8.240 nan 0.000 0.458 2030 F N 2.511 122.392 119.950 -0.115 0.000 2.641 2030 F HA 0.606 5.134 4.527 0.000 0.000 0.308 2030 F C -2.936 172.870 175.800 0.009 0.000 1.105 2030 F CA -2.293 55.653 58.000 -0.090 0.000 0.964 2030 F CB 2.185 41.081 39.000 -0.173 0.000 1.294 2030 F HN 0.427 nan 8.300 nan 0.000 0.442 2031 P HA 0.195 nan 4.420 nan 0.000 0.275 2031 P C -1.249 176.038 177.300 -0.022 0.000 1.227 2031 P CA -0.051 62.907 63.100 -0.237 0.000 0.781 2031 P CB 0.627 32.145 31.700 -0.304 0.000 0.906 2032 D N 1.571 122.002 120.400 0.051 0.000 2.478 2032 D HA 0.071 4.711 4.640 0.000 0.000 0.269 2032 D C 1.126 177.444 176.300 0.030 0.000 1.232 2032 D CA -0.600 53.489 54.000 0.149 0.000 1.059 2032 D CB 0.315 41.170 40.800 0.091 0.000 1.104 2032 D HN 0.337 nan 8.370 nan 0.000 0.566 2033 K N -0.826 119.593 120.400 0.031 0.000 2.360 2033 K HA -0.121 4.199 4.320 0.000 0.000 0.201 2033 K C 0.312 176.828 176.600 -0.141 0.000 1.046 2033 K CA 0.925 57.132 56.287 -0.134 0.000 0.940 2033 K CB -0.337 32.146 32.500 -0.028 0.000 0.748 2033 K HN 0.178 nan 8.250 nan 0.000 0.465 2034 N N 0.184 118.834 118.700 -0.083 0.000 2.236 2034 N HA 0.062 4.802 4.740 0.000 0.000 0.196 2034 N C 0.752 176.212 175.510 -0.083 0.000 1.114 2034 N CA 0.855 53.862 53.050 -0.073 0.000 0.859 2034 N CB 1.284 39.748 38.487 -0.039 0.000 0.982 2034 N HN 0.538 nan 8.380 nan 0.000 0.493 2035 G N 1.154 109.890 108.800 -0.106 0.000 2.175 2035 G HA2 -0.281 3.680 3.960 0.000 0.000 0.244 2035 G HA3 -0.281 3.680 3.960 0.000 0.000 0.244 2035 G C 0.144 175.000 174.900 -0.073 0.000 0.982 2035 G CA -0.020 45.017 45.100 -0.105 0.000 0.641 2035 G HN 0.372 nan 8.290 nan 0.000 0.527 2036 K N 1.082 121.453 120.400 -0.048 0.000 2.276 2036 K HA 0.312 4.632 4.320 0.000 0.000 0.283 2036 K C 0.108 176.694 176.600 -0.024 0.000 1.044 2036 K CA -0.718 55.551 56.287 -0.029 0.000 0.944 2036 K CB 0.158 32.651 32.500 -0.012 0.000 1.012 2036 K HN 0.145 nan 8.250 nan 0.000 0.472 2037 N N 3.447 122.131 118.700 -0.026 0.000 2.483 2037 N HA -0.032 4.708 4.740 0.000 0.000 0.264 2037 N C -0.610 174.906 175.510 0.009 0.000 1.197 2037 N CA 0.246 53.285 53.050 -0.019 0.000 0.927 2037 N CB 1.290 39.763 38.487 -0.024 0.000 1.065 2037 N HN 0.512 nan 8.380 nan 0.000 0.461 2038 Q N 1.307 121.130 119.800 0.037 0.000 2.337 2038 Q HA 0.211 4.551 4.340 0.000 0.000 0.270 2038 Q C -1.529 174.505 176.000 0.055 0.000 1.043 2038 Q CA -0.716 55.121 55.803 0.057 0.000 0.794 2038 Q CB 1.284 30.078 28.738 0.094 0.000 1.281 2038 Q HN 0.365 nan 8.270 nan 0.000 0.446 2039 D N 3.641 124.060 120.400 0.030 0.000 2.312 2039 D HA 0.152 4.792 4.640 0.000 0.000 0.252 2039 D C 0.167 176.488 176.300 0.035 0.000 1.150 2039 D CA 0.042 54.043 54.000 0.002 0.000 0.870 2039 D CB 0.998 41.782 40.800 -0.025 0.000 1.153 2039 D HN 0.765 nan 8.370 nan 0.000 0.457 2040 L N 3.128 124.382 121.223 0.051 0.000 2.607 2040 L HA 0.126 4.466 4.340 0.000 0.000 0.228 2040 L C 0.649 177.546 176.870 0.045 0.000 1.123 2040 L CA -0.148 54.793 54.840 0.169 0.000 0.890 2040 L CB 0.051 42.343 42.059 0.388 0.000 1.103 2040 L HN 0.243 nan 8.230 nan 0.000 0.468 2041 V N -2.583 117.220 119.914 -0.185 0.000 2.864 2041 V HA 0.505 4.625 4.120 0.000 0.000 0.314 2041 V C -0.025 175.911 176.094 -0.264 0.000 1.073 2041 V CA -1.095 60.974 62.300 -0.386 0.000 0.956 2041 V CB 2.184 33.620 31.823 -0.645 0.000 1.023 2041 V HN -0.042 nan 8.190 nan 0.000 0.435 2042 L N 2.635 123.668 121.223 -0.317 0.000 2.475 2042 L HA 0.901 5.242 4.340 0.000 0.000 0.253 2042 L C 1.038 177.743 176.870 -0.275 0.000 1.198 2042 L CA 0.693 55.302 54.840 -0.385 0.000 0.814 2042 L CB 0.792 42.429 42.059 -0.703 0.000 1.134 2042 L HN 1.201 nan 8.230 nan 0.000 0.478 2043 G N -0.416 108.168 108.800 -0.359 0.000 2.360 2043 G HA2 0.365 4.325 3.960 0.000 0.000 0.276 2043 G HA3 0.365 4.325 3.960 0.000 0.000 0.276 2043 G C -1.883 172.356 174.900 -1.101 0.000 1.256 2043 G CA -0.702 44.063 45.100 -0.558 0.000 0.890 2043 G HN 0.300 nan 8.290 nan 0.000 0.486 2044 F N -0.439 119.193 119.950 -0.530 0.000 2.629 2044 F HA 0.521 5.048 4.527 0.000 0.000 0.316 2044 F C 0.681 176.478 175.800 -0.005 0.000 1.081 2044 F CA -0.879 56.887 58.000 -0.390 0.000 0.954 2044 F CB 1.853 40.449 39.000 -0.674 0.000 1.337 2044 F HN 0.357 nan 8.300 nan 0.000 0.474 2045 D N -0.354 120.170 120.400 0.206 0.000 2.194 2045 D HA -0.012 4.628 4.640 0.000 0.000 0.204 2045 D C 0.786 177.297 176.300 0.352 0.000 0.964 2045 D CA 1.339 55.459 54.000 0.200 0.000 0.846 2045 D CB 0.088 40.949 40.800 0.101 0.000 0.962 2045 D HN 0.577 nan 8.370 nan 0.000 0.490 2046 T N -2.092 112.667 114.554 0.342 0.000 2.918 2046 T HA 0.456 4.806 4.350 0.000 0.000 0.286 2046 T C 1.552 176.496 174.700 0.407 0.000 1.026 2046 T CA -0.761 61.535 62.100 0.326 0.000 1.031 2046 T CB 1.816 70.760 68.868 0.127 0.000 1.046 2046 T HN -0.190 nan 8.240 nan 0.000 0.479 2047 I N 0.523 121.190 120.570 0.162 0.000 2.315 2047 I HA -0.079 4.091 4.170 0.000 0.000 0.248 2047 I C 2.362 178.486 176.117 0.011 0.000 1.117 2047 I CA 1.466 62.752 61.300 -0.023 0.000 1.404 2047 I CB -0.328 37.467 38.000 -0.341 0.000 1.071 2047 I HN 0.802 nan 8.210 nan 0.000 0.419 2048 D N 1.097 121.468 120.400 -0.048 0.000 2.144 2048 D HA -0.223 4.417 4.640 0.000 0.000 0.199 2048 D C 2.049 178.254 176.300 -0.159 0.000 0.984 2048 D CA 1.446 55.377 54.000 -0.115 0.000 0.834 2048 D CB 0.075 40.816 40.800 -0.099 0.000 0.955 2048 D HN 0.285 nan 8.370 nan 0.000 0.465 2049 E N -1.271 118.821 120.200 -0.179 0.000 2.110 2049 E HA -0.152 4.199 4.350 0.000 0.000 0.193 2049 E C 1.932 178.050 176.600 -0.802 0.000 0.988 2049 E CA 0.646 56.749 56.400 -0.496 0.000 0.804 2049 E CB -0.163 29.251 29.700 -0.478 0.000 0.745 2049 E HN 0.392 nan 8.360 nan 0.000 0.458 2050 F N 1.379 121.108 119.950 -0.367 0.000 2.146 2050 F HA -0.133 4.394 4.527 0.000 0.000 0.298 2050 F C 2.162 177.929 175.800 -0.055 0.000 1.096 2050 F CA 1.193 59.103 58.000 -0.150 0.000 1.275 2050 F CB -0.012 39.071 39.000 0.139 0.000 1.008 2050 F HN -0.016 nan 8.300 nan 0.000 0.480 2051 E N -0.049 120.151 120.200 -0.001 0.000 2.268 2051 E HA -0.178 4.173 4.350 0.000 0.000 0.195 2051 E C 1.703 178.295 176.600 -0.014 0.000 0.995 2051 E CA 0.902 57.182 56.400 -0.200 0.000 0.836 2051 E CB -0.183 29.147 29.700 -0.617 0.000 0.763 2051 E HN 0.452 nan 8.360 nan 0.000 0.491 2052 K N 0.902 121.235 120.400 -0.111 0.000 2.379 2052 K HA -0.005 4.315 4.320 0.000 0.000 0.194 2052 K C 0.367 176.932 176.600 -0.059 0.000 1.031 2052 K CA -0.051 56.182 56.287 -0.091 0.000 1.037 2052 K CB 0.183 32.585 32.500 -0.162 0.000 0.824 2052 K HN 0.009 nan 8.250 nan 0.000 0.516 2053 D N 0.326 120.653 120.400 -0.122 0.000 2.472 2053 D HA -0.041 4.599 4.640 0.000 0.000 0.237 2053 D C 0.406 176.813 176.300 0.178 0.000 1.141 2053 D CA 0.195 54.172 54.000 -0.037 0.000 0.875 2053 D CB 1.098 41.890 40.800 -0.014 0.000 1.192 2053 D HN 0.162 nan 8.370 nan 0.000 0.450 2054 A N 3.026 125.949 122.820 0.172 0.000 2.358 2054 A HA 0.439 4.759 4.320 0.000 0.000 0.223 2054 A C 1.466 179.176 177.584 0.209 0.000 1.218 2054 A CA 0.461 52.639 52.037 0.234 0.000 0.942 2054 A CB 0.116 19.210 19.000 0.157 0.000 1.005 2054 A HN 0.570 nan 8.150 nan 0.000 0.514 2055 A N -0.497 122.423 122.820 0.167 0.000 2.302 2055 A HA 0.450 4.770 4.320 0.000 0.000 0.219 2055 A C 1.009 178.654 177.584 0.101 0.000 1.243 2055 A CA 0.708 52.842 52.037 0.161 0.000 0.856 2055 A CB -0.844 18.222 19.000 0.111 0.000 0.893 2055 A HN 0.847 nan 8.150 nan 0.000 0.491 2056 S N -0.791 114.910 115.700 0.001 0.000 3.521 2056 S HA -0.172 4.298 4.470 0.000 0.000 0.362 2056 S C 0.245 174.850 174.600 0.009 0.000 1.044 2056 S CA 0.745 58.833 58.200 -0.187 0.000 1.091 2056 S CB -1.918 60.934 63.200 -0.580 0.000 0.908 2056 S HN 0.620 nan 8.310 nan 0.000 0.473 2057 I N 1.306 121.990 120.570 0.190 0.000 2.671 2057 I HA 0.180 4.351 4.170 0.000 0.000 0.285 2057 I C 1.586 177.869 176.117 0.276 0.000 1.148 2057 I CA 1.114 62.575 61.300 0.268 0.000 1.386 2057 I CB -0.244 37.776 38.000 0.033 0.000 1.406 2057 I HN 0.563 nan 8.210 nan 0.000 0.540 2058 G N 4.712 113.667 108.800 0.259 0.000 2.196 2058 G HA2 -0.306 3.654 3.960 0.000 0.000 0.268 2058 G HA3 -0.306 3.654 3.960 0.000 0.000 0.268 2058 G C 0.439 175.385 174.900 0.076 0.000 0.975 2058 G CA -0.022 45.148 45.100 0.117 0.000 0.648 2058 G HN 0.597 nan 8.290 nan 0.000 0.538 2059 K N 0.442 120.878 120.400 0.059 0.000 2.219 2059 K HA 0.421 4.742 4.320 0.000 0.000 0.258 2059 K C 0.234 176.808 176.600 -0.043 0.000 1.008 2059 K CA 0.215 56.461 56.287 -0.069 0.000 0.928 2059 K CB 0.471 32.860 32.500 -0.185 0.000 0.983 2059 K HN 0.071 nan 8.250 nan 0.000 0.484 2060 T N 1.842 116.312 114.554 -0.140 0.000 2.728 2060 T HA 0.205 4.555 4.350 0.000 0.000 0.296 2060 T C -0.307 174.350 174.700 -0.072 0.000 0.940 2060 T CA -0.551 61.491 62.100 -0.097 0.000 1.013 2060 T CB 0.609 69.301 68.868 -0.293 0.000 0.912 2060 T HN 0.136 nan 8.240 nan 0.000 0.484 2061 V N 3.339 123.217 119.914 -0.059 0.000 2.532 2061 V HA 0.902 5.022 4.120 0.000 0.000 0.295 2061 V C 0.721 176.795 176.094 -0.033 0.000 1.041 2061 V CA -0.087 62.159 62.300 -0.090 0.000 0.926 2061 V CB 1.519 33.214 31.823 -0.215 0.000 0.992 2061 V HN 1.090 nan 8.190 nan 0.000 0.457 2062 G N 3.505 112.299 108.800 -0.010 0.000 2.430 2062 G HA2 0.306 4.266 3.960 0.000 0.000 0.300 2062 G HA3 0.306 4.266 3.960 0.000 0.000 0.300 2062 G C -0.135 174.762 174.900 -0.004 0.000 1.330 2062 G CA -0.793 44.302 45.100 -0.008 0.000 0.813 2062 G HN 0.421 nan 8.290 nan 0.000 0.487 2063 R N -1.460 119.029 120.500 -0.018 0.000 2.280 2063 R HA 0.173 4.513 4.340 0.000 0.000 0.207 2063 R C 0.109 176.395 176.300 -0.023 0.000 1.043 2063 R CA 0.687 56.755 56.100 -0.054 0.000 1.006 2063 R CB 0.075 30.323 30.300 -0.087 0.000 0.885 2063 R HN 0.158 nan 8.270 nan 0.000 0.467 2064 V N 0.988 120.918 119.914 0.026 0.000 2.524 2064 V HA 0.347 4.468 4.120 0.000 0.000 0.297 2064 V C -0.208 175.947 176.094 0.103 0.000 1.035 2064 V CA -1.079 61.260 62.300 0.065 0.000 0.867 2064 V CB 1.473 33.336 31.823 0.067 0.000 1.004 2064 V HN 0.152 nan 8.190 nan 0.000 0.426 2065 A N 4.144 127.036 122.820 0.119 0.000 2.445 2065 A HA 0.581 4.902 4.320 0.000 0.000 0.242 2065 A C 0.605 178.288 177.584 0.164 0.000 1.075 2065 A CA 0.992 53.126 52.037 0.163 0.000 0.777 2065 A CB -0.152 18.890 19.000 0.070 0.000 1.013 2065 A HN 1.271 nan 8.150 nan 0.000 0.493 2066 N N -0.881 117.981 118.700 0.270 0.000 1.870 2066 N HA -0.196 4.544 4.740 0.000 0.000 0.135 2066 N C -0.307 175.153 175.510 -0.083 0.000 0.856 2066 N CA 1.869 54.877 53.050 -0.069 0.000 0.877 2066 N CB -0.462 37.934 38.487 -0.152 0.000 0.915 2066 N HN 0.875 nan 8.380 nan 0.000 0.658 2067 R N 0.103 120.567 120.500 -0.060 0.000 2.598 2067 R HA 0.583 4.923 4.340 0.000 0.000 0.279 2067 R C -0.611 175.730 176.300 0.069 0.000 0.984 2067 R CA -0.815 55.285 56.100 -0.000 0.000 0.999 2067 R CB 0.956 31.225 30.300 -0.052 0.000 1.114 2067 R HN 0.324 nan 8.270 nan 0.000 0.493 2068 I N 2.419 123.070 120.570 0.134 0.000 2.328 2068 I HA 0.150 4.320 4.170 0.000 0.000 0.287 2068 I C 0.398 176.610 176.117 0.158 0.000 1.012 2068 I CA -0.774 60.612 61.300 0.144 0.000 1.195 2068 I CB 1.162 39.279 38.000 0.195 0.000 1.350 2068 I HN 0.531 nan 8.210 nan 0.000 0.464 2069 K N 6.472 126.926 120.400 0.090 0.000 2.466 2069 K HA -0.047 4.274 4.320 0.000 0.000 0.278 2069 K C 0.611 177.359 176.600 0.246 0.000 1.048 2069 K CA 0.669 57.047 56.287 0.151 0.000 1.088 2069 K CB -0.097 32.415 32.500 0.020 0.000 0.884 2069 K HN 0.651 nan 8.250 nan 0.000 0.478 2070 N N 2.388 121.368 118.700 0.466 0.000 2.713 2070 N HA -0.238 4.502 4.740 0.000 0.000 0.251 2070 N C -0.966 174.600 175.510 0.095 0.000 1.117 2070 N CA 0.566 53.713 53.050 0.162 0.000 0.770 2070 N CB -0.762 37.780 38.487 0.092 0.000 1.137 2070 N HN 0.727 nan 8.380 nan 0.000 0.566 2071 S N -1.424 114.366 115.700 0.149 0.000 3.587 2071 S HA -0.217 4.253 4.470 0.000 0.000 0.337 2071 S C -0.072 174.516 174.600 -0.021 0.000 1.119 2071 S CA 1.622 59.865 58.200 0.071 0.000 0.976 2071 S CB -0.913 62.308 63.200 0.035 0.000 0.922 2071 S HN 0.690 nan 8.310 nan 0.000 0.503 2072 T N 0.417 114.979 114.554 0.012 0.000 2.889 2072 T HA 0.747 5.097 4.350 0.000 0.000 0.315 2072 T C -1.208 173.501 174.700 0.015 0.000 1.291 2072 T CA -0.320 61.773 62.100 -0.011 0.000 1.028 2072 T CB 1.296 70.155 68.868 -0.015 0.000 1.235 2072 T HN 0.805 nan 8.240 nan 0.000 0.491 2073 L N 0.833 122.064 121.223 0.014 0.000 2.838 2073 L HA 0.743 5.083 4.340 0.000 0.000 0.266 2073 L C -1.894 175.008 176.870 0.053 0.000 1.040 2073 L CA -1.225 53.653 54.840 0.064 0.000 0.906 2073 L CB 1.930 44.020 42.059 0.051 0.000 1.501 2073 L HN 0.716 nan 8.230 nan 0.000 0.407 2074 H N 0.494 119.637 119.070 0.121 0.000 2.489 2074 H HA 0.723 5.279 4.556 0.000 0.000 0.343 2074 H C -1.777 173.689 175.328 0.230 0.000 1.086 2074 H CA -0.037 56.114 56.048 0.171 0.000 1.198 2074 H CB 2.139 31.947 29.762 0.076 0.000 1.490 2074 H HN 0.545 nan 8.280 nan 0.000 0.504 2075 F N 2.851 122.920 119.950 0.199 0.000 2.562 2075 F HA 0.239 4.766 4.527 0.000 0.000 0.319 2075 F C -0.784 175.102 175.800 0.143 0.000 1.154 2075 F CA -1.014 57.043 58.000 0.095 0.000 0.931 2075 F CB 1.051 40.000 39.000 -0.085 0.000 1.198 2075 F HN 0.603 nan 8.300 nan 0.000 0.444 2076 D N 4.710 124.813 120.400 -0.495 0.000 2.803 2076 D HA -0.132 4.508 4.640 0.000 0.000 0.233 2076 D C 1.207 177.468 176.300 -0.064 0.000 1.182 2076 D CA 1.877 55.664 54.000 -0.354 0.000 0.726 2076 D CB -1.000 39.500 40.800 -0.501 0.000 0.987 2076 D HN 1.294 nan 8.370 nan 0.000 0.412 2077 G N -0.196 108.607 108.800 0.004 0.000 2.186 2077 G HA2 -0.396 3.565 3.960 0.000 0.000 0.266 2077 G HA3 -0.396 3.565 3.960 0.000 0.000 0.266 2077 G C 0.374 175.343 174.900 0.115 0.000 0.982 2077 G CA 1.035 46.173 45.100 0.064 0.000 0.670 2077 G HN 0.700 nan 8.290 nan 0.000 0.533 2078 K N -0.036 120.462 120.400 0.162 0.000 2.378 2078 K HA 0.530 4.850 4.320 0.000 0.000 0.252 2078 K C -0.176 176.423 176.600 -0.002 0.000 0.931 2078 K CA -0.802 55.525 56.287 0.066 0.000 0.794 2078 K CB 1.193 33.708 32.500 0.026 0.000 1.181 2078 K HN 0.169 nan 8.250 nan 0.000 0.425 2079 Q N 3.175 122.803 119.800 -0.286 0.000 2.243 2079 Q HA 0.222 4.562 4.340 0.000 0.000 0.252 2079 Q C -1.587 174.187 176.000 -0.377 0.000 0.909 2079 Q CA -0.520 54.988 55.803 -0.491 0.000 0.922 2079 Q CB 0.728 29.110 28.738 -0.594 0.000 1.215 2079 Q HN 0.518 nan 8.270 nan 0.000 0.427 2080 Y N 1.416 121.585 120.300 -0.218 0.000 2.409 2080 Y HA 0.460 5.010 4.550 0.000 0.000 0.343 2080 Y C 0.070 175.871 175.900 -0.165 0.000 0.973 2080 Y CA -0.437 57.573 58.100 -0.150 0.000 1.064 2080 Y CB 2.550 40.940 38.460 -0.117 0.000 1.207 2080 Y HN 0.565 nan 8.280 nan 0.000 0.452 2084 P HA 0.229 nan 4.420 nan 0.000 0.267 2084 P C 0.377 177.763 177.300 0.143 0.000 1.200 2084 P CA -0.100 63.088 63.100 0.148 0.000 0.772 2084 P CB 0.390 32.117 31.700 0.046 0.000 0.855 2085 N N 0.358 119.143 118.700 0.143 0.000 2.143 2085 N HA 0.090 4.830 4.740 0.000 0.000 0.229 2085 N C -0.420 175.119 175.510 0.048 0.000 1.294 2085 N CA -0.505 52.588 53.050 0.072 0.000 0.883 2085 N CB 0.264 38.770 38.487 0.032 0.000 1.148 2085 N HN 0.203 nan 8.380 nan 0.000 0.511 2086 N N 0.291 119.030 118.700 0.064 0.000 2.699 2086 N HA 0.337 5.077 4.740 0.000 0.000 0.271 2086 N C 0.213 175.764 175.510 0.067 0.000 1.216 2086 N CA 0.516 53.607 53.050 0.067 0.000 0.844 2086 N CB 1.287 39.818 38.487 0.073 0.000 1.462 2086 N HN 0.382 nan 8.380 nan 0.000 0.555 2087 G N 3.633 112.445 108.800 0.020 0.000 2.566 2087 G HA2 -0.268 3.693 3.960 0.000 0.000 0.280 2087 G HA3 -0.268 3.693 3.960 0.000 0.000 0.280 2087 G C -1.705 173.106 174.900 -0.149 0.000 1.225 2087 G CA 0.109 45.181 45.100 -0.046 0.000 0.966 2087 G HN 0.499 nan 8.290 nan 0.000 0.560 2088 P HA 0.166 nan 4.420 nan 0.000 0.257 2088 P C 0.140 177.216 177.300 -0.373 0.000 1.281 2088 P CA 0.647 63.524 63.100 -0.372 0.000 0.826 2088 P CB 0.003 31.473 31.700 -0.385 0.000 1.237 2089 H N -0.629 118.487 119.070 0.078 0.000 2.570 2089 H HA 0.270 4.826 4.556 0.000 0.000 0.342 2089 H C -0.764 174.666 175.328 0.170 0.000 1.245 2089 H CA -0.444 55.669 56.048 0.108 0.000 1.318 2089 H CB 0.450 30.267 29.762 0.092 0.000 1.694 2089 H HN -0.094 nan 8.280 nan 0.000 0.592 2090 Y N 1.718 122.111 120.300 0.156 0.000 2.478 2090 Y HA 0.240 4.790 4.550 0.000 0.000 0.329 2090 Y C -0.548 175.390 175.900 0.063 0.000 0.967 2090 Y CA -0.754 57.396 58.100 0.083 0.000 1.255 2090 Y CB 0.156 38.653 38.460 0.063 0.000 1.103 2090 Y HN 0.419 nan 8.280 nan 0.000 0.497 2091 L N 5.586 126.730 121.223 -0.131 0.000 2.312 2091 L HA 0.419 4.759 4.340 0.000 0.000 0.281 2091 L C 0.032 176.771 176.870 -0.218 0.000 1.070 2091 L CA -0.491 54.219 54.840 -0.216 0.000 0.805 2091 L CB 0.532 42.450 42.059 -0.236 0.000 1.174 2091 L HN 0.901 nan 8.230 nan 0.000 0.434 2092 H N 3.762 122.779 119.070 -0.089 0.000 2.655 2092 H HA -0.196 4.360 4.556 0.000 0.000 0.313 2092 H C 1.212 176.468 175.328 -0.119 0.000 1.141 2092 H CA 0.478 56.481 56.048 -0.074 0.000 1.138 2092 H CB -1.239 28.500 29.762 -0.039 0.000 1.446 2092 H HN 1.175 nan 8.280 nan 0.000 0.415 2093 G N -1.433 107.311 108.800 -0.094 0.000 2.162 2093 G HA2 -0.027 3.934 3.960 0.000 0.000 0.260 2093 G HA3 -0.027 3.934 3.960 0.000 0.000 0.260 2093 G C 0.865 175.563 174.900 -0.337 0.000 0.976 2093 G CA 0.698 45.724 45.100 -0.122 0.000 0.655 2093 G HN 1.664 nan 8.290 nan 0.000 0.533 2094 G N -0.838 107.536 108.800 -0.711 0.000 2.728 2094 G HA2 0.176 4.136 3.960 0.000 0.000 0.294 2094 G HA3 0.176 4.136 3.960 0.000 0.000 0.294 2094 G C -0.723 174.121 174.900 -0.094 0.000 1.342 2094 G CA 0.237 44.969 45.100 -0.614 0.000 0.866 2094 G HN 0.811 nan 8.290 nan 0.000 0.534 2095 P HA -0.075 nan 4.420 nan 0.000 0.222 2095 P C 0.822 178.044 177.300 -0.130 0.000 1.147 2095 P CA 1.599 64.590 63.100 -0.181 0.000 0.790 2095 P CB 0.081 31.702 31.700 -0.131 0.000 0.780 2096 N N -0.243 118.483 118.700 0.043 0.000 2.338 2096 N HA 0.122 4.862 4.740 0.000 0.000 0.251 2096 N C 0.640 176.226 175.510 0.127 0.000 1.199 2096 N CA -0.245 52.862 53.050 0.095 0.000 0.879 2096 N CB 0.400 38.924 38.487 0.062 0.000 1.159 2096 N HN -0.030 nan 8.380 nan 0.000 0.514 2097 G N 0.330 109.240 108.800 0.184 0.000 2.683 2097 G HA2 0.120 4.080 3.960 0.000 0.000 0.260 2097 G HA3 0.120 4.080 3.960 0.000 0.000 0.260 2097 G C 1.218 176.156 174.900 0.064 0.000 1.238 2097 G CA -0.484 44.676 45.100 0.100 0.000 0.934 2097 G HN 0.207 nan 8.290 nan 0.000 0.534 2098 L N 0.490 121.720 121.223 0.012 0.000 2.129 2098 L HA -0.101 4.240 4.340 0.000 0.000 0.212 2098 L C 2.989 179.927 176.870 0.114 0.000 1.087 2098 L CA 1.318 56.187 54.840 0.049 0.000 0.757 2098 L CB -0.620 41.517 42.059 0.130 0.000 0.896 2098 L HN 0.685 nan 8.230 nan 0.000 0.434 2099 G N -1.203 107.538 108.800 -0.099 0.000 2.471 2099 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 2099 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 2099 G C 1.036 175.532 174.900 -0.672 0.000 1.125 2099 G CA 0.286 45.162 45.100 -0.374 0.000 0.775 2099 G HN 0.422 nan 8.290 nan 0.000 0.548 2100 Y N 0.317 120.471 120.300 -0.242 0.000 2.524 2100 Y HA 0.369 4.919 4.550 0.000 0.000 0.266 2100 Y C 0.985 176.766 175.900 -0.199 0.000 1.180 2100 Y CA -0.607 57.330 58.100 -0.273 0.000 1.244 2100 Y CB 0.456 38.926 38.460 0.017 0.000 1.125 2100 Y HN -0.107 nan 8.280 nan 0.000 0.524 2101 R N 0.966 121.390 120.500 -0.126 0.000 2.668 2101 R HA 0.353 4.693 4.340 0.000 0.000 0.279 2101 R C -0.460 175.912 176.300 0.120 0.000 0.976 2101 R CA -0.893 55.221 56.100 0.024 0.000 0.978 2101 R CB 1.149 31.392 30.300 -0.095 0.000 1.133 2101 R HN 0.138 nan 8.270 nan 0.000 0.484 2102 K N 2.102 122.650 120.400 0.247 0.000 2.250 2102 K HA 0.148 4.468 4.320 0.000 0.000 0.285 2102 K C -0.546 176.217 176.600 0.271 0.000 1.097 2102 K CA -0.211 56.277 56.287 0.336 0.000 0.913 2102 K CB 0.329 32.993 32.500 0.273 0.000 1.179 2102 K HN 0.264 nan 8.250 nan 0.000 0.462 2103 W N 1.917 123.214 121.300 -0.004 0.000 2.161 2103 W HA 0.106 4.766 4.660 0.000 0.000 0.344 2103 W C 0.810 177.412 176.519 0.139 0.000 1.262 2103 W CA -0.382 56.987 57.345 0.041 0.000 1.270 2103 W CB 0.365 29.820 29.460 -0.009 0.000 1.126 2103 W HN 0.327 nan 8.180 nan 0.000 0.598 2104 E N 0.714 121.158 120.200 0.406 0.000 2.231 2104 E HA 0.287 4.637 4.350 0.000 0.000 0.277 2104 E C -0.812 176.028 176.600 0.399 0.000 0.999 2104 E CA -0.827 55.762 56.400 0.315 0.000 0.827 2104 E CB 1.735 31.552 29.700 0.194 0.000 1.101 2104 E HN 0.066 nan 8.360 nan 0.000 0.393 2105 V N 3.318 123.414 119.914 0.303 0.000 2.432 2105 V HA 0.027 4.147 4.120 0.000 0.000 0.271 2105 V C 1.299 177.482 176.094 0.148 0.000 1.046 2105 V CA -0.128 62.290 62.300 0.196 0.000 0.945 2105 V CB 0.865 32.759 31.823 0.119 0.000 0.992 2105 V HN 0.596 nan 8.190 nan 0.000 0.471 2106 V N 2.215 122.192 119.914 0.106 0.000 3.661 2106 V HA 0.471 4.591 4.120 0.000 0.000 0.271 2106 V C 0.623 176.755 176.094 0.063 0.000 1.315 2106 V CA 0.174 62.533 62.300 0.099 0.000 1.072 2106 V CB -0.207 31.683 31.823 0.111 0.000 0.830 2106 V HN 0.801 nan 8.190 nan 0.000 0.443 2107 R N 1.123 121.645 120.500 0.038 0.000 2.560 2107 R HA 0.463 4.804 4.340 0.000 0.000 0.267 2107 R C -1.786 174.525 176.300 0.017 0.000 1.150 2107 R CA -0.350 55.747 56.100 -0.005 0.000 0.997 2107 R CB 1.328 31.616 30.300 -0.020 0.000 1.250 2107 R HN 0.784 nan 8.270 nan 0.000 0.433 2108 H N 1.338 120.375 119.070 -0.055 0.000 2.877 2108 H HA 0.858 5.414 4.556 0.000 0.000 0.347 2108 H C -1.571 173.742 175.328 -0.024 0.000 1.042 2108 H CA -0.602 55.412 56.048 -0.058 0.000 1.276 2108 H CB 2.121 31.851 29.762 -0.054 0.000 1.681 2108 H HN 0.745 nan 8.280 nan 0.000 0.521 2109 A N 3.473 126.317 122.820 0.039 0.000 2.530 2109 A HA 0.578 4.898 4.320 0.000 0.000 0.288 2109 A C -2.088 175.524 177.584 0.046 0.000 1.172 2109 A CA -2.159 49.885 52.037 0.011 0.000 0.733 2109 A CB 0.778 19.770 19.000 -0.013 0.000 1.320 2109 A HN 0.589 nan 8.150 nan 0.000 0.419 2110 P HA -0.152 nan 4.420 nan 0.000 0.217 2110 P C 0.619 177.943 177.300 0.040 0.000 1.148 2110 P CA 1.828 64.952 63.100 0.039 0.000 0.828 2110 P CB 0.331 32.048 31.700 0.029 0.000 0.783 2111 E N -1.646 118.577 120.200 0.039 0.000 2.693 2111 E HA 0.249 4.599 4.350 0.000 0.000 0.214 2111 E C -0.132 176.503 176.600 0.058 0.000 0.990 2111 E CA -0.162 56.267 56.400 0.048 0.000 1.047 2111 E CB 0.220 29.948 29.700 0.046 0.000 1.039 2111 E HN -0.038 nan 8.360 nan 0.000 0.475 2112 S N -0.324 115.408 115.700 0.053 0.000 2.552 2112 S HA 0.545 5.016 4.470 0.000 0.000 0.272 2112 S C -2.129 172.492 174.600 0.035 0.000 1.150 2112 S CA -0.419 57.817 58.200 0.060 0.000 0.849 2112 S CB 1.854 65.083 63.200 0.049 0.000 1.113 2112 S HN 0.193 nan 8.310 nan 0.000 0.458 2113 V N 2.635 122.561 119.914 0.020 0.000 2.851 2113 V HA 0.843 4.963 4.120 0.000 0.000 0.307 2113 V C -1.116 174.857 176.094 -0.201 0.000 1.129 2113 V CA -0.126 62.104 62.300 -0.117 0.000 0.932 2113 V CB 2.193 33.893 31.823 -0.205 0.000 1.024 2113 V HN 0.937 nan 8.190 nan 0.000 0.426 2114 S N 5.935 121.464 115.700 -0.285 0.000 2.500 2114 S HA 0.831 5.302 4.470 0.000 0.000 0.301 2114 S C -1.131 173.303 174.600 -0.278 0.000 1.092 2114 S CA -0.282 57.815 58.200 -0.172 0.000 1.030 2114 S CB 1.428 64.625 63.200 -0.005 0.000 1.031 2114 S HN 0.574 nan 8.310 nan 0.000 0.483 2115 F N 0.921 121.003 119.950 0.220 0.000 2.579 2115 F HA 0.751 5.278 4.527 0.000 0.000 0.324 2115 F C 0.589 176.673 175.800 0.472 0.000 1.058 2115 F CA -0.681 57.506 58.000 0.312 0.000 0.944 2115 F CB 2.045 41.184 39.000 0.231 0.000 1.245 2115 F HN 0.493 nan 8.300 nan 0.000 0.477 2116 S N 1.030 117.140 115.700 0.684 0.000 2.546 2116 S HA 0.859 5.329 4.470 0.000 0.000 0.274 2116 S C -1.869 172.804 174.600 0.121 0.000 1.121 2116 S CA -0.543 57.895 58.200 0.397 0.000 0.887 2116 S CB 1.777 65.112 63.200 0.225 0.000 1.094 2116 S HN 0.670 nan 8.310 nan 0.000 0.474 2117 V N 3.584 123.342 119.914 -0.260 0.000 3.204 2117 V HA 0.672 4.792 4.120 0.000 0.000 0.298 2117 V C -1.796 174.067 176.094 -0.385 0.000 1.328 2117 V CA -0.686 61.318 62.300 -0.493 0.000 1.035 2117 V CB 2.401 33.488 31.823 -1.227 0.000 1.095 2117 V HN 1.012 nan 8.190 nan 0.000 0.442 2118 R N 2.469 122.799 120.500 -0.284 0.000 2.637 2118 R HA 0.921 5.261 4.340 0.000 0.000 0.291 2118 R C -0.924 175.255 176.300 -0.201 0.000 0.963 2118 R CA -0.163 55.815 56.100 -0.203 0.000 0.901 2118 R CB 2.103 32.331 30.300 -0.119 0.000 1.160 2118 R HN 1.000 nan 8.270 nan 0.000 0.457 2119 A N 2.144 124.860 122.820 -0.173 0.000 2.520 2119 A HA 0.612 4.932 4.320 0.000 0.000 0.298 2119 A C -1.456 176.065 177.584 -0.105 0.000 1.051 2119 A CA -0.881 51.072 52.037 -0.140 0.000 0.690 2119 A CB 1.447 20.350 19.000 -0.162 0.000 1.281 2119 A HN 0.883 nan 8.150 nan 0.000 0.402 2120 N N -0.354 118.301 118.700 -0.075 0.000 2.902 2120 N HA 0.328 5.069 4.740 0.000 0.000 0.268 2120 N C 0.374 175.860 175.510 -0.039 0.000 1.450 2120 N CA -0.271 52.744 53.050 -0.059 0.000 0.819 2120 N CB 0.763 39.224 38.487 -0.042 0.000 1.540 2120 N HN 0.581 nan 8.380 nan 0.000 0.545 2121 E N -0.605 119.579 120.200 -0.026 0.000 2.130 2121 E HA -0.306 4.044 4.350 0.000 0.000 0.196 2121 E C 0.903 177.510 176.600 0.012 0.000 0.998 2121 E CA 1.676 58.077 56.400 0.002 0.000 0.806 2121 E CB 0.008 29.736 29.700 0.047 0.000 0.738 2121 E HN 0.600 nan 8.360 nan 0.000 0.459 2122 Q N 0.532 120.335 119.800 0.005 0.000 2.170 2122 Q HA -0.164 4.176 4.340 0.000 0.000 0.203 2122 Q C 1.739 177.744 176.000 0.007 0.000 0.976 2122 Q CA 1.716 57.522 55.803 0.005 0.000 0.858 2122 Q CB 0.059 28.796 28.738 -0.000 0.000 0.907 2122 Q HN 0.341 nan 8.270 nan 0.000 0.433 2123 D N 0.375 120.776 120.400 0.001 0.000 2.103 2123 D HA -0.107 4.533 4.640 0.000 0.000 0.199 2123 D C 0.677 176.998 176.300 0.034 0.000 0.978 2123 D CA 1.661 55.666 54.000 0.007 0.000 0.829 2123 D CB -0.022 40.768 40.800 -0.016 0.000 0.981 2123 D HN 0.510 nan 8.370 nan 0.000 0.464 2124 D N -2.479 117.947 120.400 0.044 0.000 2.520 2124 D HA 0.237 4.877 4.640 0.000 0.000 0.223 2124 D C 1.428 177.801 176.300 0.122 0.000 1.186 2124 D CA 0.482 54.550 54.000 0.112 0.000 0.821 2124 D CB 0.473 41.342 40.800 0.115 0.000 1.072 2124 D HN 0.161 nan 8.370 nan 0.000 0.518 2125 G N 0.150 108.977 108.800 0.045 0.000 2.234 2125 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 2125 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 2125 G C 0.012 174.910 174.900 -0.003 0.000 0.987 2125 G CA 0.437 45.540 45.100 0.006 0.000 0.625 2125 G HN 0.301 nan 8.290 nan 0.000 0.532 2126 L N 2.100 123.305 121.223 -0.030 0.000 2.453 2126 L HA 0.423 4.763 4.340 0.000 0.000 0.261 2126 L C -1.266 175.446 176.870 -0.262 0.000 1.179 2126 L CA -1.866 52.882 54.840 -0.154 0.000 0.813 2126 L CB -0.116 41.873 42.059 -0.118 0.000 1.110 2126 L HN 0.027 nan 8.230 nan 0.000 0.466 2127 P HA 0.128 nan 4.420 nan 0.000 0.269 2127 P C 0.373 177.459 177.300 -0.356 0.000 1.215 2127 P CA 0.340 63.071 63.100 -0.616 0.000 0.780 2127 P CB 0.658 31.654 31.700 -1.172 0.000 0.898 2128 G N 2.665 111.368 108.800 -0.162 0.000 2.578 2128 G HA2 -0.203 3.757 3.960 0.000 0.000 0.284 2128 G HA3 -0.203 3.757 3.960 0.000 0.000 0.284 2128 G C -0.668 174.172 174.900 -0.099 0.000 1.283 2128 G CA 0.828 45.870 45.100 -0.097 0.000 0.944 2128 G HN 0.886 nan 8.290 nan 0.000 0.558 2129 D N -1.819 118.524 120.400 -0.095 0.000 2.752 2129 D HA 0.928 5.568 4.640 0.000 0.000 0.313 2129 D C -0.156 176.076 176.300 -0.113 0.000 1.225 2129 D CA 0.366 54.308 54.000 -0.096 0.000 0.976 2129 D CB 1.123 41.883 40.800 -0.068 0.000 1.443 2129 D HN 2.070 nan 8.370 nan 0.000 0.515 2130 A N -0.753 121.994 122.820 -0.122 0.000 2.590 2130 A HA 0.602 4.922 4.320 0.000 0.000 0.294 2130 A C -1.731 175.766 177.584 -0.145 0.000 1.046 2130 A CA -1.008 50.946 52.037 -0.139 0.000 0.684 2130 A CB 1.487 20.384 19.000 -0.172 0.000 1.279 2130 A HN 0.649 nan 8.150 nan 0.000 0.415 2131 K N 1.770 122.089 120.400 -0.134 0.000 2.425 2131 K HA 0.646 4.966 4.320 0.000 0.000 0.259 2131 K C -1.591 174.938 176.600 -0.118 0.000 0.978 2131 K CA -0.452 55.767 56.287 -0.114 0.000 0.883 2131 K CB 0.427 32.891 32.500 -0.059 0.000 1.110 2131 K HN 0.529 nan 8.250 nan 0.000 0.436 2132 I N 3.359 123.838 120.570 -0.152 0.000 2.412 2132 I HA 0.275 4.445 4.170 0.000 0.000 0.296 2132 I C -0.779 175.406 176.117 0.114 0.000 0.987 2132 I CA -0.453 60.800 61.300 -0.079 0.000 1.180 2132 I CB 1.784 39.684 38.000 -0.166 0.000 1.340 2132 I HN 0.605 nan 8.210 nan 0.000 0.455 2133 D N 4.862 125.428 120.400 0.277 0.000 2.757 2133 D HA 0.640 5.281 4.640 0.000 0.000 0.249 2133 D C -1.218 175.338 176.300 0.427 0.000 1.168 2133 D CA -0.593 53.647 54.000 0.401 0.000 0.870 2133 D CB 1.784 42.776 40.800 0.321 0.000 1.411 2133 D HN 0.177 nan 8.370 nan 0.000 0.525 2134 V N 1.682 121.866 119.914 0.450 0.000 2.680 2134 V HA 0.702 4.822 4.120 0.000 0.000 0.309 2134 V C -0.211 176.002 176.094 0.198 0.000 1.052 2134 V CA -0.491 61.984 62.300 0.293 0.000 0.908 2134 V CB 2.103 34.006 31.823 0.134 0.000 1.001 2134 V HN 0.818 nan 8.190 nan 0.000 0.431 2135 T N 3.510 118.107 114.554 0.072 0.000 2.861 2135 T HA 0.650 5.000 4.350 0.000 0.000 0.287 2135 T C -1.366 173.296 174.700 -0.063 0.000 1.003 2135 T CA -0.358 61.767 62.100 0.042 0.000 0.977 2135 T CB 1.160 70.063 68.868 0.058 0.000 0.996 2135 T HN 0.431 nan 8.240 nan 0.000 0.448 2136 Y N 1.222 121.582 120.300 0.100 0.000 2.341 2136 Y HA 0.570 5.120 4.550 0.000 0.000 0.338 2136 Y C 0.568 176.510 175.900 0.071 0.000 0.965 2136 Y CA -0.645 57.519 58.100 0.105 0.000 1.108 2136 Y CB 2.085 40.617 38.460 0.119 0.000 1.180 2136 Y HN 0.548 nan 8.280 nan 0.000 0.458 2137 T N 3.493 118.179 114.554 0.220 0.000 2.916 2137 T HA 0.556 4.906 4.350 0.000 0.000 0.298 2137 T C -0.931 173.858 174.700 0.148 0.000 1.031 2137 T CA -0.807 61.381 62.100 0.147 0.000 0.993 2137 T CB 1.247 70.173 68.868 0.097 0.000 1.045 2137 T HN 0.442 nan 8.240 nan 0.000 0.454 2138 V N 1.362 121.348 119.914 0.121 0.000 2.667 2138 V HA 0.949 5.069 4.120 0.000 0.000 0.308 2138 V C -0.642 175.508 176.094 0.095 0.000 1.048 2138 V CA -1.000 61.372 62.300 0.121 0.000 0.928 2138 V CB 1.621 33.507 31.823 0.105 0.000 1.004 2138 V HN 0.992 nan 8.190 nan 0.000 0.444 2139 N N 0.762 119.520 118.700 0.096 0.000 3.102 2139 N HA 0.379 5.119 4.740 0.000 0.000 0.299 2139 N C 0.135 175.692 175.510 0.079 0.000 1.482 2139 N CA -0.270 52.825 53.050 0.074 0.000 0.785 2139 N CB 0.785 39.307 38.487 0.059 0.000 1.680 2139 N HN 0.725 nan 8.380 nan 0.000 0.594 2140 D N -1.348 119.089 120.400 0.062 0.000 2.350 2140 D HA -0.087 4.553 4.640 0.000 0.000 0.216 2140 D C 0.621 176.963 176.300 0.069 0.000 0.968 2140 D CA 0.861 54.899 54.000 0.063 0.000 0.894 2140 D CB -0.015 40.812 40.800 0.045 0.000 0.909 2140 D HN 0.460 nan 8.370 nan 0.000 0.520 2141 R N -0.174 120.364 120.500 0.063 0.000 2.388 2141 R HA 0.184 4.524 4.340 0.000 0.000 0.247 2141 R C -0.190 176.156 176.300 0.077 0.000 0.931 2141 R CA -0.226 55.906 56.100 0.055 0.000 1.082 2141 R CB -0.222 30.093 30.300 0.025 0.000 1.135 2141 R HN -0.024 nan 8.270 nan 0.000 0.525 2142 N N 2.023 120.796 118.700 0.122 0.000 2.738 2142 N HA -0.185 4.555 4.740 0.000 0.000 0.249 2142 N C -1.116 174.497 175.510 0.171 0.000 1.047 2142 N CA 1.113 54.267 53.050 0.173 0.000 0.707 2142 N CB -0.923 37.694 38.487 0.215 0.000 0.937 2142 N HN 0.484 nan 8.380 nan 0.000 0.545 2143 Q N -0.268 119.626 119.800 0.157 0.000 2.387 2143 Q HA 0.690 5.030 4.340 0.000 0.000 0.273 2143 Q C -0.546 175.599 176.000 0.242 0.000 1.089 2143 Q CA -0.961 54.934 55.803 0.153 0.000 0.824 2143 Q CB 2.381 31.153 28.738 0.058 0.000 1.367 2143 Q HN 0.230 nan 8.270 nan 0.000 0.443 2144 L N 2.192 123.611 121.223 0.326 0.000 2.325 2144 L HA 0.553 4.893 4.340 0.000 0.000 0.281 2144 L C -1.627 175.438 176.870 0.325 0.000 1.004 2144 L CA -0.189 54.860 54.840 0.348 0.000 0.823 2144 L CB 1.148 43.469 42.059 0.437 0.000 1.236 2144 L HN 0.578 nan 8.230 nan 0.000 0.415 2145 I N 6.458 127.168 120.570 0.234 0.000 2.362 2145 I HA 0.404 4.574 4.170 0.000 0.000 0.289 2145 I C -0.542 175.657 176.117 0.136 0.000 0.994 2145 I CA -0.421 60.980 61.300 0.167 0.000 1.158 2145 I CB 1.556 39.608 38.000 0.086 0.000 1.315 2145 I HN 0.516 nan 8.210 nan 0.000 0.451 2146 I N 6.391 127.024 120.570 0.105 0.000 2.339 2146 I HA 0.317 4.487 4.170 0.000 0.000 0.290 2146 I C -0.189 175.849 176.117 -0.131 0.000 0.994 2146 I CA -0.465 60.794 61.300 -0.068 0.000 1.191 2146 I CB 1.359 39.333 38.000 -0.044 0.000 1.343 2146 I HN 0.560 nan 8.210 nan 0.000 0.458 2147 E N 4.993 125.137 120.200 -0.092 0.000 2.183 2147 E HA 0.439 4.789 4.350 0.000 0.000 0.271 2147 E C -1.145 175.563 176.600 0.182 0.000 0.919 2147 E CA -0.684 55.718 56.400 0.003 0.000 0.781 2147 E CB 1.846 31.577 29.700 0.051 0.000 1.140 2147 E HN 0.544 nan 8.360 nan 0.000 0.402 2148 H N 1.487 120.682 119.070 0.208 0.000 2.646 2148 H HA 0.286 4.842 4.556 0.000 0.000 0.328 2148 H C -1.071 174.534 175.328 0.462 0.000 0.998 2148 H CA -0.756 55.496 56.048 0.339 0.000 1.225 2148 H CB 1.094 31.152 29.762 0.493 0.000 1.457 2148 H HN 0.458 nan 8.280 nan 0.000 0.505 2149 H N 2.304 121.618 119.070 0.407 0.000 2.768 2149 H HA 0.765 5.321 4.556 0.000 0.000 0.371 2149 H C -1.654 173.825 175.328 0.251 0.000 1.151 2149 H CA -0.450 55.813 56.048 0.357 0.000 1.165 2149 H CB 1.609 31.522 29.762 0.252 0.000 1.722 2149 H HN 0.789 nan 8.280 nan 0.000 0.543 2150 A N 2.272 124.783 122.820 -0.514 0.000 2.608 2150 A HA 0.622 4.942 4.320 0.000 0.000 0.292 2150 A C -0.950 176.386 177.584 -0.413 0.000 1.066 2150 A CA -0.163 51.642 52.037 -0.387 0.000 0.676 2150 A CB 0.906 19.744 19.000 -0.270 0.000 1.277 2150 A HN 1.011 nan 8.150 nan 0.000 0.413 2151 T N -2.246 112.143 114.554 -0.274 0.000 2.812 2151 T HA 0.847 5.198 4.350 0.000 0.000 0.294 2151 T C -0.089 174.521 174.700 -0.151 0.000 1.159 2151 T CA -0.183 61.776 62.100 -0.236 0.000 1.008 2151 T CB 0.868 69.602 68.868 -0.224 0.000 1.289 2151 T HN 2.528 nan 8.240 nan 0.000 0.514 2152 C N -0.597 118.631 119.300 -0.120 0.000 3.318 2152 C HA 0.781 5.241 4.460 0.000 0.000 0.322 2152 C C -0.162 174.795 174.990 -0.056 0.000 1.398 2152 C CA -0.610 58.358 59.018 -0.084 0.000 1.339 2152 C CB 1.046 28.741 27.740 -0.076 0.000 1.668 2152 C HN 0.913 nan 8.230 nan 0.000 0.462 2153 D N -0.002 120.374 120.400 -0.039 0.000 2.455 2153 D HA 0.182 4.822 4.640 0.000 0.000 0.228 2153 D C 0.156 176.453 176.300 -0.005 0.000 1.070 2153 D CA 1.047 55.035 54.000 -0.020 0.000 0.881 2153 D CB 0.964 41.754 40.800 -0.017 0.000 1.087 2153 D HN 0.756 nan 8.370 nan 0.000 0.498 2154 T N 2.040 116.590 114.554 -0.007 0.000 2.841 2154 T HA 0.410 4.760 4.350 0.000 0.000 0.283 2154 T C -2.721 171.994 174.700 0.026 0.000 1.000 2154 T CA -1.463 60.648 62.100 0.018 0.000 0.977 2154 T CB 2.627 71.504 68.868 0.016 0.000 0.979 2154 T HN -0.245 nan 8.240 nan 0.000 0.446 2155 P HA 0.405 nan 4.420 nan 0.000 0.265 2155 P C 0.118 177.472 177.300 0.089 0.000 1.193 2155 P CA 0.420 63.634 63.100 0.190 0.000 0.765 2155 P CB 0.543 32.428 31.700 0.309 0.000 0.823 2156 G N 1.528 110.247 108.800 -0.135 0.000 2.570 2156 G HA2 0.560 4.520 3.960 0.000 0.000 0.310 2156 G HA3 0.560 4.520 3.960 0.000 0.000 0.310 2156 G C -2.023 172.466 174.900 -0.684 0.000 1.266 2156 G CA -0.697 43.960 45.100 -0.738 0.000 0.825 2156 G HN 0.388 nan 8.290 nan 0.000 0.483 2157 L N -0.113 120.752 121.223 -0.596 0.000 2.346 2157 L HA 0.834 5.175 4.340 0.000 0.000 0.274 2157 L C -1.129 175.622 176.870 -0.199 0.000 1.007 2157 L CA -0.863 53.778 54.840 -0.332 0.000 0.818 2157 L CB 2.113 43.981 42.059 -0.318 0.000 1.284 2157 L HN 0.423 nan 8.230 nan 0.000 0.424 2158 L N 3.118 124.278 121.223 -0.105 0.000 2.516 2158 L HA 0.802 5.142 4.340 0.000 0.000 0.267 2158 L C -1.197 175.710 176.870 0.061 0.000 0.957 2158 L CA -0.038 54.741 54.840 -0.102 0.000 0.860 2158 L CB 1.923 43.850 42.059 -0.221 0.000 1.265 2158 L HN 0.650 nan 8.230 nan 0.000 0.403 2159 A N 6.127 129.013 122.820 0.110 0.000 2.684 2159 A HA 0.687 5.007 4.320 0.000 0.000 0.289 2159 A C -1.335 176.406 177.584 0.260 0.000 1.139 2159 A CA -0.419 51.841 52.037 0.371 0.000 0.793 2159 A CB 0.336 19.510 19.000 0.290 0.000 1.334 2159 A HN 0.591 nan 8.150 nan 0.000 0.408 2160 L N 0.610 122.020 121.223 0.311 0.000 2.440 2160 L HA 0.941 5.281 4.340 0.000 0.000 0.262 2160 L C 0.690 177.602 176.870 0.070 0.000 1.072 2160 L CA -0.730 54.172 54.840 0.102 0.000 0.798 2160 L CB 1.702 43.693 42.059 -0.113 0.000 1.307 2160 L HN 0.625 nan 8.230 nan 0.000 0.475 2161 T N -0.762 113.808 114.554 0.026 0.000 2.733 2161 T HA 0.170 4.520 4.350 0.000 0.000 0.312 2161 T C -1.943 172.856 174.700 0.164 0.000 1.590 2161 T CA -0.727 61.401 62.100 0.048 0.000 1.005 2161 T CB 1.605 70.418 68.868 -0.091 0.000 1.528 2161 T HN 0.703 nan 8.240 nan 0.000 0.496 2162 N N 1.149 119.971 118.700 0.203 0.000 2.392 2162 N HA 0.228 4.968 4.740 0.000 0.000 0.283 2162 N C -0.765 174.848 175.510 0.172 0.000 1.003 2162 N CA -0.247 52.944 53.050 0.236 0.000 0.892 2162 N CB 1.156 39.844 38.487 0.335 0.000 1.193 2162 N HN 0.677 nan 8.380 nan 0.000 0.487 2163 H N 2.438 121.539 119.070 0.050 0.000 2.577 2163 H HA 0.281 4.837 4.556 0.000 0.000 0.306 2163 H C -0.273 175.036 175.328 -0.031 0.000 1.109 2163 H CA -0.188 55.865 56.048 0.008 0.000 1.063 2163 H CB -0.051 29.686 29.762 -0.042 0.000 1.535 2163 H HN 0.584 nan 8.280 nan 0.000 0.532 2164 A N 0.917 123.763 122.820 0.043 0.000 2.425 2164 A HA 0.222 4.542 4.320 0.000 0.000 0.249 2164 A C -0.945 176.440 177.584 -0.332 0.000 1.084 2164 A CA -0.039 51.899 52.037 -0.165 0.000 0.781 2164 A CB -0.004 18.728 19.000 -0.447 0.000 1.019 2164 A HN 0.387 nan 8.150 nan 0.000 0.490 2165 Y N 0.604 120.636 120.300 -0.448 0.000 2.353 2165 Y HA 0.392 4.942 4.550 0.000 0.000 0.340 2165 Y C -0.527 175.093 175.900 -0.467 0.000 0.972 2165 Y CA 0.100 57.973 58.100 -0.378 0.000 1.157 2165 Y CB 1.005 39.271 38.460 -0.325 0.000 1.157 2165 Y HN 0.709 nan 8.280 nan 0.000 0.495 2166 W N 2.888 124.183 121.300 -0.009 0.000 2.417 2166 W HA 0.488 5.148 4.660 0.000 0.000 0.317 2166 W C -0.253 176.330 176.519 0.107 0.000 1.121 2166 W CA -0.669 56.724 57.345 0.080 0.000 1.208 2166 W CB 1.204 30.764 29.460 0.166 0.000 1.253 2166 W HN 0.465 nan 8.180 nan 0.000 0.533 2167 N N 2.736 121.630 118.700 0.324 0.000 2.572 2167 N HA 0.252 4.993 4.740 0.000 0.000 0.287 2167 N C -0.349 175.348 175.510 0.312 0.000 1.136 2167 N CA -0.398 52.753 53.050 0.169 0.000 0.900 2167 N CB 0.987 39.469 38.487 -0.009 0.000 1.484 2167 N HN 0.495 nan 8.380 nan 0.000 0.526 2168 L N 1.581 123.105 121.223 0.502 0.000 2.592 2168 L HA 0.295 4.635 4.340 0.000 0.000 0.227 2168 L C 0.366 177.364 176.870 0.213 0.000 1.127 2168 L CA 0.259 55.304 54.840 0.343 0.000 0.884 2168 L CB -0.235 41.962 42.059 0.229 0.000 1.065 2168 L HN 0.601 nan 8.230 nan 0.000 0.457 2169 D N -2.409 118.124 120.400 0.223 0.000 2.497 2169 D HA 0.136 4.777 4.640 0.000 0.000 0.256 2169 D C 1.240 177.604 176.300 0.107 0.000 1.273 2169 D CA 0.440 54.513 54.000 0.120 0.000 0.812 2169 D CB 0.336 41.162 40.800 0.044 0.000 1.190 2169 D HN 0.049 nan 8.370 nan 0.000 0.524 2170 G N 0.215 109.082 108.800 0.112 0.000 2.179 2170 G HA2 -0.307 3.654 3.960 0.000 0.000 0.260 2170 G HA3 -0.307 3.654 3.960 0.000 0.000 0.260 2170 G C 0.512 175.450 174.900 0.065 0.000 0.977 2170 G CA 0.338 45.482 45.100 0.072 0.000 0.641 2170 G HN 0.460 nan 8.290 nan 0.000 0.533 2171 S N 0.743 116.496 115.700 0.087 0.000 2.569 2171 S HA 0.264 4.734 4.470 0.000 0.000 0.274 2171 S C 1.209 175.828 174.600 0.032 0.000 1.353 2171 S CA 0.114 58.353 58.200 0.065 0.000 1.023 2171 S CB 0.672 63.929 63.200 0.094 0.000 0.876 2171 S HN 0.285 nan 8.310 nan 0.000 0.540 2172 D N 0.588 120.999 120.400 0.018 0.000 2.221 2172 D HA -0.024 4.616 4.640 0.000 0.000 0.204 2172 D C 0.890 177.174 176.300 -0.028 0.000 0.982 2172 D CA 1.272 55.270 54.000 -0.003 0.000 0.857 2172 D CB 0.099 40.893 40.800 -0.010 0.000 0.934 2172 D HN 0.442 nan 8.370 nan 0.000 0.475 2173 T N -1.608 112.932 114.554 -0.024 0.000 2.843 2173 T HA 0.334 4.685 4.350 0.000 0.000 0.302 2173 T C 0.374 175.039 174.700 -0.060 0.000 1.232 2173 T CA -0.698 61.372 62.100 -0.051 0.000 1.009 2173 T CB 1.839 70.682 68.868 -0.042 0.000 1.254 2173 T HN -0.222 nan 8.240 nan 0.000 0.504 2174 V N 1.335 121.176 119.914 -0.122 0.000 3.596 2174 V HA 0.496 4.616 4.120 0.000 0.000 0.289 2174 V C 2.246 178.314 176.094 -0.043 0.000 1.336 2174 V CA 0.866 63.021 62.300 -0.242 0.000 1.137 2174 V CB -0.957 30.681 31.823 -0.308 0.000 0.966 2174 V HN 0.881 nan 8.190 nan 0.000 0.428 2175 A N 1.294 124.101 122.820 -0.022 0.000 2.032 2175 A HA -0.191 4.129 4.320 0.000 0.000 0.221 2175 A C 2.006 179.570 177.584 -0.034 0.000 1.165 2175 A CA 2.096 54.122 52.037 -0.019 0.000 0.645 2175 A CB -0.377 18.608 19.000 -0.025 0.000 0.807 2175 A HN 0.708 nan 8.150 nan 0.000 0.453 2176 E N -1.128 119.075 120.200 0.005 0.000 2.463 2176 E HA 0.068 4.418 4.350 0.000 0.000 0.193 2176 E C -0.418 176.116 176.600 -0.111 0.000 1.041 2176 E CA -0.313 56.050 56.400 -0.062 0.000 0.879 2176 E CB 0.060 29.750 29.700 -0.016 0.000 0.997 2176 E HN 0.694 nan 8.360 nan 0.000 0.478 2177 H N -0.233 118.693 119.070 -0.239 0.000 2.615 2177 H HA 0.209 4.765 4.556 0.000 0.000 0.363 2177 H C -0.479 174.557 175.328 -0.486 0.000 1.148 2177 H CA -0.022 55.811 56.048 -0.358 0.000 1.401 2177 H CB 0.333 29.816 29.762 -0.466 0.000 1.461 2177 H HN -0.096 nan 8.280 nan 0.000 0.588 2178 F N 1.343 120.871 119.950 -0.703 0.000 2.397 2178 F HA 0.357 4.884 4.527 0.000 0.000 0.331 2178 F C -0.391 174.954 175.800 -0.758 0.000 1.090 2178 F CA -0.665 56.766 58.000 -0.948 0.000 1.065 2178 F CB 1.040 38.816 39.000 -2.039 0.000 1.184 2178 F HN 0.240 nan 8.300 nan 0.000 0.499 2179 L N 2.885 123.962 121.223 -0.245 0.000 2.464 2179 L HA 0.530 4.870 4.340 0.000 0.000 0.266 2179 L C -0.966 175.954 176.870 0.083 0.000 0.965 2179 L CA -0.198 54.604 54.840 -0.063 0.000 0.833 2179 L CB 1.841 43.721 42.059 -0.299 0.000 1.296 2179 L HN 0.743 nan 8.230 nan 0.000 0.405 2183 A N 1.142 123.998 122.820 0.059 0.000 2.402 2183 A HA 0.593 4.913 4.320 0.000 0.000 0.291 2183 A C 0.067 177.699 177.584 0.081 0.000 1.051 2183 A CA -0.577 51.486 52.037 0.043 0.000 0.716 2183 A CB 0.894 19.918 19.000 0.041 0.000 1.223 2183 A HN 0.060 nan 8.150 nan 0.000 0.425 2184 D N 1.155 121.592 120.400 0.062 0.000 2.346 2184 D HA 0.090 4.730 4.640 0.000 0.000 0.206 2184 D C 0.214 176.573 176.300 0.098 0.000 1.001 2184 D CA 1.081 55.126 54.000 0.074 0.000 0.871 2184 D CB 0.808 41.636 40.800 0.046 0.000 0.943 2184 D HN 0.794 nan 8.370 nan 0.000 0.518 2185 E N -0.365 119.894 120.200 0.099 0.000 2.433 2185 E HA 0.529 4.879 4.350 0.000 0.000 0.273 2185 E C -0.947 175.768 176.600 0.192 0.000 0.950 2185 E CA -0.996 55.466 56.400 0.103 0.000 0.796 2185 E CB 2.445 32.151 29.700 0.010 0.000 1.330 2185 E HN -0.062 nan 8.360 nan 0.000 0.455 2186 F N -2.097 117.880 119.950 0.046 0.000 2.613 2186 F HA 0.581 5.108 4.527 0.000 0.000 0.310 2186 F C -1.343 174.484 175.800 0.045 0.000 1.085 2186 F CA -1.314 56.708 58.000 0.036 0.000 0.945 2186 F CB 0.734 39.811 39.000 0.129 0.000 1.298 2186 F HN 0.154 nan 8.300 nan 0.000 0.455 2187 V N 2.704 122.710 119.914 0.153 0.000 2.427 2187 V HA 0.130 4.250 4.120 0.000 0.000 0.268 2187 V C 0.356 176.590 176.094 0.233 0.000 1.046 2187 V CA -0.346 62.004 62.300 0.082 0.000 0.970 2187 V CB 0.684 32.528 31.823 0.034 0.000 1.001 2187 V HN 0.895 nan 8.190 nan 0.000 0.476 2188 E N 4.594 124.846 120.200 0.087 0.000 2.398 2188 E HA 0.394 4.745 4.350 0.000 0.000 0.263 2188 E C -0.572 176.157 176.600 0.215 0.000 1.046 2188 E CA -0.378 56.140 56.400 0.196 0.000 0.908 2188 E CB 1.440 31.162 29.700 0.037 0.000 0.963 2188 E HN 0.616 nan 8.360 nan 0.000 0.431 2189 V N 0.943 121.013 119.914 0.259 0.000 3.040 2189 V HA 0.468 4.588 4.120 0.000 0.000 0.312 2189 V C -0.578 175.603 176.094 0.144 0.000 1.115 2189 V CA -0.872 61.553 62.300 0.210 0.000 0.998 2189 V CB 1.736 33.730 31.823 0.285 0.000 1.042 2189 V HN 0.854 nan 8.190 nan 0.000 0.433 2190 D N 1.152 121.599 120.400 0.078 0.000 2.496 2190 D HA 0.252 4.892 4.640 0.000 0.000 0.283 2190 D C 0.528 176.753 176.300 -0.125 0.000 1.214 2190 D CA 0.235 54.244 54.000 0.015 0.000 1.089 2190 D CB 0.094 40.916 40.800 0.037 0.000 1.141 2190 D HN 0.719 nan 8.370 nan 0.000 0.580 2191 D N -2.613 117.692 120.400 -0.157 0.000 2.352 2191 D HA -0.052 4.588 4.640 0.000 0.000 0.232 2191 D C 1.042 177.023 176.300 -0.531 0.000 1.055 2191 D CA 0.619 54.418 54.000 -0.335 0.000 0.891 2191 D CB -0.710 39.992 40.800 -0.164 0.000 0.897 2191 D HN 0.416 nan 8.370 nan 0.000 0.529 2192 T N -4.285 110.058 114.554 -0.352 0.000 3.040 2192 T HA 0.218 4.568 4.350 0.000 0.000 0.266 2192 T C 0.543 175.229 174.700 -0.023 0.000 1.005 2192 T CA -0.674 61.336 62.100 -0.151 0.000 0.906 2192 T CB -0.950 68.023 68.868 0.175 0.000 1.082 2192 T HN 0.101 nan 8.240 nan 0.000 0.531 2193 F N -0.456 119.567 119.950 0.123 0.000 3.043 2193 F HA -0.196 4.331 4.527 0.000 0.000 0.290 2193 F C 0.747 176.580 175.800 0.054 0.000 0.844 2193 F CA -0.155 57.913 58.000 0.112 0.000 1.184 2193 F CB -2.397 36.670 39.000 0.112 0.000 1.246 2193 F HN 0.504 nan 8.300 nan 0.000 0.536 2194 C N 0.952 120.302 119.300 0.083 0.000 2.382 2194 C HA 0.683 5.144 4.460 0.000 0.000 0.327 2194 C C -1.987 173.051 174.990 0.079 0.000 1.250 2194 C CA -2.303 56.681 59.018 -0.057 0.000 1.707 2194 C CB 0.981 28.405 27.740 -0.527 0.000 2.272 2194 C HN 0.023 nan 8.230 nan 0.000 0.506 2195 P HA 0.085 nan 4.420 nan 0.000 0.266 2195 P C 0.630 178.027 177.300 0.163 0.000 1.195 2195 P CA 0.620 63.831 63.100 0.185 0.000 0.768 2195 P CB 0.634 32.506 31.700 0.287 0.000 0.838 2196 T N -0.977 113.604 114.554 0.046 0.000 3.044 2196 T HA 0.274 4.624 4.350 0.000 0.000 0.250 2196 T C 1.321 175.891 174.700 -0.217 0.000 1.081 2196 T CA 0.600 62.733 62.100 0.055 0.000 1.040 2196 T CB -0.436 68.460 68.868 0.048 0.000 0.962 2196 T HN 0.592 nan 8.240 nan 0.000 0.506 2197 G N 1.063 109.446 108.800 -0.696 0.000 2.213 2197 G HA2 0.042 4.002 3.960 0.000 0.000 0.226 2197 G HA3 0.042 4.002 3.960 0.000 0.000 0.226 2197 G C 0.251 175.010 174.900 -0.235 0.000 0.992 2197 G CA -0.202 44.184 45.100 -1.191 0.000 0.632 2197 G HN 1.105 nan 8.290 nan 0.000 0.511 2198 A N 0.780 123.544 122.820 -0.094 0.000 2.304 2198 A HA 0.767 5.087 4.320 0.000 0.000 0.301 2198 A C 0.030 177.621 177.584 0.012 0.000 1.132 2198 A CA -0.287 51.743 52.037 -0.012 0.000 0.819 2198 A CB 0.579 19.553 19.000 -0.043 0.000 1.094 2198 A HN 0.550 nan 8.150 nan 0.000 0.492 2199 I N 1.755 122.321 120.570 -0.006 0.000 2.406 2199 I HA 0.410 4.581 4.170 0.000 0.000 0.290 2199 I C 0.278 176.269 176.117 -0.211 0.000 0.999 2199 I CA -0.125 61.127 61.300 -0.081 0.000 1.124 2199 I CB 1.409 39.423 38.000 0.023 0.000 1.289 2199 I HN 0.763 nan 8.210 nan 0.000 0.441 2200 R N 2.655 122.867 120.500 -0.480 0.000 2.778 2200 R HA 0.476 4.817 4.340 0.000 0.000 0.277 2200 R C -0.220 175.869 176.300 -0.351 0.000 0.977 2200 R CA -0.720 55.076 56.100 -0.507 0.000 0.950 2200 R CB 2.343 32.151 30.300 -0.820 0.000 1.165 2200 R HN 0.613 nan 8.270 nan 0.000 0.474 2201 S N 0.352 115.982 115.700 -0.117 0.000 2.565 2201 S HA 0.058 4.529 4.470 0.000 0.000 0.276 2201 S C 1.347 176.050 174.600 0.172 0.000 1.326 2201 S CA -0.734 57.480 58.200 0.023 0.000 1.045 2201 S CB 1.109 64.322 63.200 0.022 0.000 0.918 2201 S HN 0.501 nan 8.310 nan 0.000 0.505 2202 V N 2.567 122.626 119.914 0.240 0.000 3.041 2202 V HA 0.137 4.257 4.120 0.000 0.000 0.260 2202 V C 0.950 177.126 176.094 0.136 0.000 1.105 2202 V CA 0.722 63.200 62.300 0.296 0.000 1.125 2202 V CB -1.594 30.373 31.823 0.240 0.000 0.730 2202 V HN 0.811 nan 8.190 nan 0.000 0.479 2203 T N 3.035 117.645 114.554 0.093 0.000 2.849 2203 T HA 0.043 4.393 4.350 0.000 0.000 0.289 2203 T C 0.456 175.174 174.700 0.030 0.000 1.010 2203 T CA 1.333 63.461 62.100 0.047 0.000 1.161 2203 T CB -0.289 68.601 68.868 0.037 0.000 0.989 2203 T HN 0.746 nan 8.240 nan 0.000 0.523 2204 D N 0.457 120.859 120.400 0.003 0.000 3.041 2204 D HA -0.140 4.500 4.640 0.000 0.000 0.220 2204 D C 0.555 176.834 176.300 -0.036 0.000 1.157 2204 D CA 1.723 55.714 54.000 -0.015 0.000 0.876 2204 D CB -1.461 39.335 40.800 -0.006 0.000 1.107 2204 D HN 0.803 nan 8.370 nan 0.000 0.422 2205 T N -5.148 109.375 114.554 -0.051 0.000 2.916 2205 T HA 0.610 4.960 4.350 0.000 0.000 0.292 2205 T C 1.472 176.049 174.700 -0.205 0.000 1.064 2205 T CA -0.123 61.902 62.100 -0.125 0.000 1.011 2205 T CB 1.987 70.803 68.868 -0.086 0.000 1.152 2205 T HN -0.117 nan 8.240 nan 0.000 0.510 2206 G N -0.452 108.155 108.800 -0.323 0.000 2.598 2206 G HA2 0.065 4.025 3.960 0.000 0.000 0.215 2206 G HA3 0.065 4.025 3.960 0.000 0.000 0.215 2206 G C 0.776 175.523 174.900 -0.256 0.000 1.131 2206 G CA -0.166 44.761 45.100 -0.288 0.000 0.785 2206 G HN 0.774 nan 8.290 nan 0.000 0.539 2207 F N 0.322 120.019 119.950 -0.421 0.000 2.731 2207 F HA 0.140 4.667 4.527 0.000 0.000 0.304 2207 F C 0.697 176.240 175.800 -0.428 0.000 1.133 2207 F CA -0.758 56.958 58.000 -0.473 0.000 1.380 2207 F CB 0.556 39.224 39.000 -0.553 0.000 1.079 2207 F HN 0.005 nan 8.300 nan 0.000 0.550 2208 D N 0.577 120.810 120.400 -0.277 0.000 2.393 2208 D HA 0.053 4.694 4.640 0.000 0.000 0.232 2208 D C -0.180 175.945 176.300 -0.292 0.000 1.192 2208 D CA -0.106 53.804 54.000 -0.151 0.000 0.882 2208 D CB 0.047 40.800 40.800 -0.078 0.000 1.038 2208 D HN 0.123 nan 8.370 nan 0.000 0.499 2209 F N 2.097 122.081 119.950 0.056 0.000 2.647 2209 F HA 0.288 4.815 4.527 0.000 0.000 0.300 2209 F C 2.050 177.893 175.800 0.072 0.000 1.106 2209 F CA -0.495 57.536 58.000 0.051 0.000 1.313 2209 F CB 0.346 39.357 39.000 0.019 0.000 1.007 2209 F HN 0.178 nan 8.300 nan 0.000 0.536 2210 R N -0.299 120.311 120.500 0.185 0.000 2.193 2210 R HA -0.005 4.335 4.340 0.000 0.000 0.229 2210 R C 0.237 176.628 176.300 0.152 0.000 1.110 2210 R CA 0.755 56.946 56.100 0.150 0.000 0.988 2210 R CB -0.140 30.222 30.300 0.103 0.000 0.871 2210 R HN 0.021 nan 8.270 nan 0.000 0.458 2211 S N 0.180 115.973 115.700 0.156 0.000 2.566 2211 S HA 0.318 4.788 4.470 0.000 0.000 0.324 2211 S C -0.133 174.610 174.600 0.237 0.000 1.081 2211 S CA -0.775 57.524 58.200 0.164 0.000 1.105 2211 S CB 1.863 65.133 63.200 0.116 0.000 0.981 2211 S HN 0.384 nan 8.310 nan 0.000 0.464 2212 G N 3.416 112.409 108.800 0.322 0.000 2.138 2212 G HA2 0.200 4.160 3.960 0.000 0.000 0.244 2212 G HA3 0.200 4.160 3.960 0.000 0.000 0.244 2212 G C -0.173 174.971 174.900 0.407 0.000 1.166 2212 G CA 0.161 45.523 45.100 0.437 0.000 0.902 2212 G HN 0.693 nan 8.290 nan 0.000 0.460 2213 K N 1.523 122.116 120.400 0.322 0.000 2.556 2213 K HA 0.369 4.689 4.320 0.000 0.000 0.274 2213 K C -0.557 175.943 176.600 -0.165 0.000 0.966 2213 K CA -1.021 55.356 56.287 0.150 0.000 0.865 2213 K CB 1.537 34.092 32.500 0.092 0.000 1.444 2213 K HN 0.443 nan 8.250 nan 0.000 0.433 2214 Q N 1.471 120.922 119.800 -0.582 0.000 2.395 2214 Q HA 0.073 4.413 4.340 0.000 0.000 0.271 2214 Q C 0.863 176.767 176.000 -0.161 0.000 1.026 2214 Q CA -0.076 55.342 55.803 -0.641 0.000 0.900 2214 Q CB 0.790 29.115 28.738 -0.688 0.000 1.266 2214 Q HN 0.537 nan 8.270 nan 0.000 0.430 2215 L N 2.365 123.549 121.223 -0.065 0.000 2.127 2215 L HA -0.267 4.073 4.340 0.000 0.000 0.211 2215 L C 2.423 179.330 176.870 0.061 0.000 1.089 2215 L CA 1.515 56.411 54.840 0.093 0.000 0.757 2215 L CB -0.498 41.594 42.059 0.055 0.000 0.899 2215 L HN 0.718 nan 8.230 nan 0.000 0.434 2216 K N 0.206 120.593 120.400 -0.022 0.000 2.281 2216 K HA -0.219 4.101 4.320 0.000 0.000 0.203 2216 K C 1.312 177.900 176.600 -0.019 0.000 1.046 2216 K CA 1.563 57.836 56.287 -0.023 0.000 0.938 2216 K CB -0.298 32.172 32.500 -0.050 0.000 0.737 2216 K HN 0.406 nan 8.250 nan 0.000 0.458 2217 E N 1.247 121.428 120.200 -0.031 0.000 2.511 2217 E HA -0.047 4.303 4.350 0.000 0.000 0.196 2217 E C 1.442 178.006 176.600 -0.060 0.000 1.066 2217 E CA 0.733 57.103 56.400 -0.049 0.000 0.871 2217 E CB 0.228 29.887 29.700 -0.070 0.000 0.863 2217 E HN 0.573 nan 8.360 nan 0.000 0.520 2218 S N -0.499 115.205 115.700 0.007 0.000 2.501 2218 S HA 0.025 4.496 4.470 0.000 0.000 0.220 2218 S C 1.403 176.023 174.600 0.034 0.000 0.997 2218 S CA 0.050 58.269 58.200 0.032 0.000 0.919 2218 S CB 0.377 63.748 63.200 0.286 0.000 0.778 2218 S HN 0.132 nan 8.310 nan 0.000 0.523 2219 G N 1.930 110.743 108.800 0.021 0.000 2.770 2219 G HA2 0.271 4.231 3.960 0.000 0.000 0.307 2219 G HA3 0.271 4.231 3.960 0.000 0.000 0.307 2219 G C 0.699 175.578 174.900 -0.035 0.000 0.863 2219 G CA -0.630 44.473 45.100 0.004 0.000 1.595 2219 G HN 0.109 nan 8.290 nan 0.000 0.496 2220 K N 1.898 122.254 120.400 -0.073 0.000 2.281 2220 K HA -0.123 4.198 4.320 0.000 0.000 0.203 2220 K C 1.993 178.564 176.600 -0.048 0.000 1.046 2220 K CA 1.504 57.744 56.287 -0.078 0.000 0.938 2220 K CB 0.088 32.519 32.500 -0.115 0.000 0.737 2220 K HN 0.758 nan 8.250 nan 0.000 0.458 2221 D N -0.027 120.352 120.400 -0.034 0.000 2.178 2221 D HA -0.050 4.590 4.640 0.000 0.000 0.201 2221 D C 0.243 176.535 176.300 -0.013 0.000 0.980 2221 D CA 0.840 54.830 54.000 -0.016 0.000 0.842 2221 D CB -0.172 40.628 40.800 -0.000 0.000 0.948 2221 D HN 0.162 nan 8.370 nan 0.000 0.472 2222 A N 0.102 122.913 122.820 -0.015 0.000 2.433 2222 A HA -0.080 4.240 4.320 0.000 0.000 0.685 2222 A C 0.341 177.920 177.584 -0.008 0.000 0.139 2222 A CA 0.457 52.486 52.037 -0.014 0.000 0.035 2222 A CB -0.995 17.996 19.000 -0.015 0.000 3.969 2222 A HN 0.407 nan 8.150 nan 0.000 0.547 2223 E N -0.006 120.188 120.200 -0.009 0.000 2.240 2223 E HA -0.197 4.153 4.350 0.000 0.000 0.194 2223 E C -0.088 176.510 176.600 -0.004 0.000 1.385 2223 E CA 1.876 58.273 56.400 -0.006 0.000 0.686 2223 E CB -1.197 28.500 29.700 -0.004 0.000 1.125 2223 E HN 1.188 nan 8.360 nan 0.000 0.359 2224 E N -0.163 120.033 120.200 -0.006 0.000 2.393 2224 E HA 0.228 4.578 4.350 0.000 0.000 0.282 2224 E C -0.535 176.058 176.600 -0.010 0.000 1.096 2224 E CA -0.737 55.660 56.400 -0.004 0.000 0.866 2224 E CB 0.892 30.596 29.700 0.005 0.000 1.232 2224 E HN 0.129 nan 8.360 nan 0.000 0.431 2225 L N 2.820 124.029 121.223 -0.023 0.000 2.529 2225 L HA 0.048 4.388 4.340 0.000 0.000 0.287 2225 L C 0.260 177.117 176.870 -0.022 0.000 1.241 2225 L CA 0.344 55.158 54.840 -0.045 0.000 0.857 2225 L CB -0.093 41.910 42.059 -0.094 0.000 1.113 2225 L HN 0.441 nan 8.230 nan 0.000 0.504 2226 L N 3.455 124.666 121.223 -0.020 0.000 2.319 2226 L HA 0.083 4.423 4.340 0.000 0.000 0.280 2226 L C 0.702 177.587 176.870 0.027 0.000 1.099 2226 L CA -0.238 54.616 54.840 0.023 0.000 0.828 2226 L CB 0.633 42.707 42.059 0.024 0.000 1.150 2226 L HN 0.686 nan 8.230 nan 0.000 0.442 2227 D N 3.054 123.516 120.400 0.103 0.000 2.388 2227 D HA 0.014 4.654 4.640 0.000 0.000 0.221 2227 D C 0.361 176.786 176.300 0.208 0.000 1.133 2227 D CA -0.524 53.570 54.000 0.156 0.000 0.831 2227 D CB 0.254 41.206 40.800 0.253 0.000 0.962 2227 D HN 0.230 nan 8.370 nan 0.000 0.502 2228 L N 1.426 122.741 121.223 0.154 0.000 2.578 2228 L HA 0.210 4.550 4.340 0.000 0.000 0.279 2228 L C -0.428 176.425 176.870 -0.028 0.000 1.227 2228 L CA 0.967 55.805 54.840 -0.002 0.000 0.900 2228 L CB 0.323 42.274 42.059 -0.179 0.000 1.144 2228 L HN -0.004 nan 8.230 nan 0.000 0.496 2229 D N 3.700 124.058 120.400 -0.070 0.000 3.784 2229 D HA 0.218 4.858 4.640 0.000 0.000 0.261 2229 D C -1.318 174.906 176.300 -0.126 0.000 1.391 2229 D CA -0.262 53.726 54.000 -0.019 0.000 0.797 2229 D CB -0.008 40.860 40.800 0.114 0.000 1.391 2229 D HN 0.718 nan 8.370 nan 0.000 0.734 2230 N N 0.187 118.557 118.700 -0.549 0.000 2.405 2230 N HA 0.306 5.046 4.740 0.000 0.000 0.285 2230 N C -1.215 173.934 175.510 -0.600 0.000 1.262 2230 N CA -0.681 52.151 53.050 -0.364 0.000 0.773 2230 N CB 1.715 40.149 38.487 -0.089 0.000 1.490 2230 N HN -0.021 nan 8.380 nan 0.000 0.486 2231 D N 1.268 121.584 120.400 -0.140 0.000 2.308 2231 D HA 0.249 4.889 4.640 0.000 0.000 0.251 2231 D C -0.313 175.920 176.300 -0.112 0.000 1.127 2231 D CA 0.015 53.943 54.000 -0.121 0.000 0.876 2231 D CB 1.138 41.883 40.800 -0.092 0.000 1.176 2231 D HN 0.145 nan 8.370 nan 0.000 0.446 2232 L N 2.877 124.005 121.223 -0.160 0.000 2.280 2232 L HA 0.265 4.605 4.340 0.000 0.000 0.287 2232 L C -0.326 176.470 176.870 -0.124 0.000 1.023 2232 L CA -0.771 54.021 54.840 -0.081 0.000 0.819 2232 L CB 1.495 43.489 42.059 -0.109 0.000 1.212 2232 L HN 0.110 nan 8.230 nan 0.000 0.420 2233 V N 5.572 125.427 119.914 -0.098 0.000 2.479 2233 V HA 0.138 4.258 4.120 0.000 0.000 0.281 2233 V C 0.870 176.886 176.094 -0.131 0.000 1.031 2233 V CA -0.294 61.912 62.300 -0.158 0.000 1.038 2233 V CB 0.766 32.524 31.823 -0.109 0.000 0.981 2233 V HN 0.461 nan 8.190 nan 0.000 0.478 2234 I N 4.320 124.768 120.570 -0.202 0.000 2.556 2234 I HA 0.082 4.252 4.170 0.000 0.000 0.284 2234 I C 0.801 176.783 176.117 -0.226 0.000 1.114 2234 I CA 0.315 61.454 61.300 -0.269 0.000 1.418 2234 I CB 0.601 38.292 38.000 -0.515 0.000 1.394 2234 I HN 0.556 nan 8.210 nan 0.000 0.552 2235 T N 7.273 121.731 114.554 -0.161 0.000 2.739 2235 T HA 0.215 4.565 4.350 0.000 0.000 0.298 2235 T C -0.027 174.603 174.700 -0.116 0.000 0.929 2235 T CA -0.538 61.508 62.100 -0.089 0.000 1.014 2235 T CB -0.092 68.764 68.868 -0.020 0.000 0.914 2235 T HN 0.423 nan 8.240 nan 0.000 0.509 2236 K N 3.560 123.891 120.400 -0.116 0.000 2.235 2236 K HA 0.374 4.694 4.320 0.000 0.000 0.266 2236 K C -0.057 176.544 176.600 0.001 0.000 0.980 2236 K CA -0.824 55.419 56.287 -0.073 0.000 0.849 2236 K CB 1.943 34.367 32.500 -0.126 0.000 1.098 2236 K HN 0.410 nan 8.250 nan 0.000 0.445 2237 K N 0.984 121.411 120.400 0.045 0.000 2.118 2237 K HA 0.154 4.474 4.320 0.000 0.000 0.264 2237 K C 0.878 177.497 176.600 0.032 0.000 1.000 2237 K CA -0.449 55.859 56.287 0.035 0.000 0.929 2237 K CB 1.063 33.587 32.500 0.041 0.000 1.021 2237 K HN 0.439 nan 8.250 nan 0.000 0.463 2238 T N 1.272 115.839 114.554 0.021 0.000 2.737 2238 T HA -0.050 4.300 4.350 0.000 0.000 0.265 2238 T C -0.666 174.043 174.700 0.016 0.000 1.038 2238 T CA 0.695 62.805 62.100 0.016 0.000 1.144 2238 T CB -0.830 68.045 68.868 0.012 0.000 0.866 2238 T HN 0.663 nan 8.240 nan 0.000 0.434 2245 T N 2.322 116.601 114.554 -0.459 0.000 2.867 2245 T HA 0.254 4.604 4.350 0.000 0.000 0.297 2245 T C -0.171 174.338 174.700 -0.317 0.000 0.989 2245 T CA 0.516 62.377 62.100 -0.398 0.000 1.159 2245 T CB -0.324 68.416 68.868 -0.214 0.000 0.928 2245 T HN 0.546 nan 8.240 nan 0.000 0.538 2246 Y N 2.042 122.280 120.300 -0.102 0.000 2.498 2246 Y HA 0.487 5.037 4.550 0.000 0.000 0.259 2246 Y C 0.479 176.329 175.900 -0.083 0.000 1.086 2246 Y CA -0.501 57.547 58.100 -0.086 0.000 1.287 2246 Y CB 0.410 38.807 38.460 -0.104 0.000 1.146 2246 Y HN 0.452 nan 8.280 nan 0.000 0.523 2247 L N 0.106 121.342 121.223 0.021 0.000 2.445 2247 L HA 0.625 4.965 4.340 0.000 0.000 0.262 2247 L C -1.272 175.588 176.870 -0.017 0.000 0.974 2247 L CA -0.716 54.112 54.840 -0.020 0.000 0.822 2247 L CB 2.161 44.156 42.059 -0.106 0.000 1.339 2247 L HN -0.184 nan 8.230 nan 0.000 0.409 2248 R N 3.917 124.475 120.500 0.097 0.000 2.532 2248 R HA 0.504 4.844 4.340 0.000 0.000 0.297 2248 R C -2.009 174.550 176.300 0.431 0.000 0.984 2248 R CA -0.594 55.642 56.100 0.227 0.000 0.884 2248 R CB 2.416 32.890 30.300 0.290 0.000 1.182 2248 R HN 0.493 nan 8.270 nan 0.000 0.442 2249 F N 4.664 124.726 119.950 0.187 0.000 2.518 2249 F HA 0.542 5.069 4.527 0.000 0.000 0.323 2249 F C -1.441 174.554 175.800 0.324 0.000 1.129 2249 F CA -1.094 56.983 58.000 0.128 0.000 0.920 2249 F CB 1.068 40.042 39.000 -0.043 0.000 1.160 2249 F HN 0.621 nan 8.300 nan 0.000 0.440 2250 W N 3.571 124.729 121.300 -0.237 0.000 3.074 2250 W HA 0.716 5.376 4.660 0.000 0.000 0.332 2250 W C -1.932 174.375 176.519 -0.354 0.000 1.253 2250 W CA -1.396 55.795 57.345 -0.257 0.000 1.180 2250 W CB 0.989 30.380 29.460 -0.116 0.000 1.445 2250 W HN 0.621 nan 8.180 nan 0.000 0.573 2251 S N 0.400 116.021 115.700 -0.133 0.000 2.561 2251 S HA 0.283 4.753 4.470 0.000 0.000 0.303 2251 S C 0.167 174.783 174.600 0.027 0.000 1.110 2251 S CA -0.442 57.569 58.200 -0.314 0.000 1.034 2251 S CB 1.622 64.474 63.200 -0.580 0.000 1.010 2251 S HN 0.679 nan 8.310 nan 0.000 0.482 2252 E N 2.935 123.193 120.200 0.096 0.000 2.274 2252 E HA -0.087 4.264 4.350 0.000 0.000 0.194 2252 E C 1.659 178.292 176.600 0.055 0.000 0.996 2252 E CA 0.484 56.954 56.400 0.116 0.000 0.840 2252 E CB 0.111 29.892 29.700 0.135 0.000 0.772 2252 E HN 0.704 nan 8.360 nan 0.000 0.491 2253 K N 0.760 121.169 120.400 0.014 0.000 2.025 2253 K HA -0.121 4.199 4.320 0.000 0.000 0.207 2253 K C 2.193 178.807 176.600 0.022 0.000 1.049 2253 K CA 1.737 58.031 56.287 0.012 0.000 0.933 2253 K CB 0.040 32.537 32.500 -0.005 0.000 0.714 2253 K HN 0.081 nan 8.250 nan 0.000 0.438 2254 S N -1.419 114.293 115.700 0.021 0.000 2.503 2254 S HA 0.150 4.620 4.470 0.000 0.000 0.217 2254 S C 1.358 176.024 174.600 0.111 0.000 0.999 2254 S CA 0.457 58.694 58.200 0.062 0.000 0.914 2254 S CB 0.431 63.676 63.200 0.075 0.000 0.782 2254 S HN 0.561 nan 8.310 nan 0.000 0.520 2255 G N 1.238 110.102 108.800 0.106 0.000 2.155 2255 G HA2 -0.239 3.721 3.960 0.000 0.000 0.257 2255 G HA3 -0.239 3.721 3.960 0.000 0.000 0.257 2255 G C -0.024 175.010 174.900 0.223 0.000 0.983 2255 G CA 0.399 45.588 45.100 0.148 0.000 0.676 2255 G HN 0.603 nan 8.290 nan 0.000 0.528 2256 I N 0.496 121.180 120.570 0.190 0.000 2.396 2256 I HA 0.509 4.679 4.170 0.000 0.000 0.292 2256 I C 0.351 176.552 176.117 0.140 0.000 0.999 2256 I CA -0.465 60.944 61.300 0.180 0.000 1.310 2256 I CB 1.651 39.794 38.000 0.238 0.000 1.404 2256 I HN 0.225 nan 8.210 nan 0.000 0.496 2257 E N 6.016 126.266 120.200 0.084 0.000 2.248 2257 E HA 0.505 4.855 4.350 0.000 0.000 0.267 2257 E C -1.810 174.783 176.600 -0.012 0.000 0.877 2257 E CA -0.885 55.561 56.400 0.078 0.000 0.759 2257 E CB 2.295 31.977 29.700 -0.029 0.000 1.182 2257 E HN 0.403 nan 8.360 nan 0.000 0.418 2258 L N 2.835 124.054 121.223 -0.007 0.000 2.333 2258 L HA 0.582 4.922 4.340 0.000 0.000 0.280 2258 L C -1.459 175.288 176.870 -0.205 0.000 1.004 2258 L CA -0.136 54.562 54.840 -0.236 0.000 0.820 2258 L CB 1.840 43.768 42.059 -0.218 0.000 1.247 2258 L HN 0.422 nan 8.230 nan 0.000 0.416 2259 S N 5.634 121.133 115.700 -0.335 0.000 2.513 2259 S HA 0.790 5.261 4.470 0.000 0.000 0.299 2259 S C -0.616 173.770 174.600 -0.357 0.000 1.087 2259 S CA -0.469 57.573 58.200 -0.262 0.000 1.012 2259 S CB 1.439 64.500 63.200 -0.233 0.000 1.044 2259 S HN 0.567 nan 8.310 nan 0.000 0.485 2260 I N 1.502 121.880 120.570 -0.320 0.000 2.582 2260 I HA 0.494 4.664 4.170 0.000 0.000 0.292 2260 I C -0.407 175.521 176.117 -0.315 0.000 1.066 2260 I CA -0.366 60.699 61.300 -0.392 0.000 1.053 2260 I CB 2.538 40.264 38.000 -0.458 0.000 1.241 2260 I HN 0.494 nan 8.210 nan 0.000 0.421 2261 T N 3.072 117.427 114.554 -0.331 0.000 2.893 2261 T HA 0.672 5.022 4.350 0.000 0.000 0.293 2261 T C -0.985 173.628 174.700 -0.146 0.000 1.027 2261 T CA -0.271 61.624 62.100 -0.342 0.000 0.988 2261 T CB 1.754 70.364 68.868 -0.431 0.000 1.043 2261 T HN 0.772 nan 8.240 nan 0.000 0.461 2262 T N 1.192 115.796 114.554 0.083 0.000 2.853 2262 T HA 0.444 4.794 4.350 0.000 0.000 0.311 2262 T C 0.869 175.595 174.700 0.044 0.000 1.307 2262 T CA 0.030 62.144 62.100 0.024 0.000 1.019 2262 T CB 1.522 70.407 68.868 0.029 0.000 1.264 2262 T HN 0.536 nan 8.240 nan 0.000 0.497 2263 S N 1.322 116.954 115.700 -0.113 0.000 2.436 2263 S HA 0.164 4.634 4.470 0.000 0.000 0.228 2263 S C 0.330 174.753 174.600 -0.295 0.000 1.014 2263 S CA 0.290 58.366 58.200 -0.207 0.000 0.950 2263 S CB -0.522 62.484 63.200 -0.323 0.000 0.784 2263 S HN 0.602 nan 8.310 nan 0.000 0.504 2264 Y N 2.275 122.421 120.300 -0.256 0.000 2.550 2264 Y HA 0.139 4.689 4.550 0.000 0.000 0.343 2264 Y C -0.933 174.776 175.900 -0.319 0.000 1.245 2264 Y CA -1.234 56.624 58.100 -0.404 0.000 1.462 2264 Y CB 0.332 38.576 38.460 -0.360 0.000 1.340 2264 Y HN 0.207 nan 8.280 nan 0.000 0.604 2265 P HA -0.061 nan 4.420 nan 0.000 0.224 2265 P C -0.186 176.992 177.300 -0.202 0.000 1.157 2265 P CA 1.178 64.207 63.100 -0.118 0.000 0.799 2265 P CB 0.408 32.141 31.700 0.056 0.000 0.809 2266 V N -3.468 116.311 119.914 -0.225 0.000 3.160 2266 V HA 0.624 4.744 4.120 0.000 0.000 0.310 2266 V C -1.027 174.944 176.094 -0.204 0.000 1.181 2266 V CA -1.470 60.667 62.300 -0.271 0.000 1.047 2266 V CB 2.527 34.103 31.823 -0.410 0.000 1.068 2266 V HN -0.245 nan 8.190 nan 0.000 0.441 2267 I N 1.838 122.293 120.570 -0.191 0.000 2.439 2267 I HA 0.402 4.572 4.170 0.000 0.000 0.283 2267 I C -0.825 175.193 176.117 -0.166 0.000 1.023 2267 I CA -0.403 60.798 61.300 -0.166 0.000 1.100 2267 I CB 1.389 39.288 38.000 -0.169 0.000 1.238 2267 I HN 0.914 nan 8.210 nan 0.000 0.445 2268 H N 7.004 125.945 119.070 -0.214 0.000 2.646 2268 H HA 0.557 5.113 4.556 0.000 0.000 0.325 2268 H C -1.205 174.013 175.328 -0.183 0.000 1.075 2268 H CA 0.198 56.106 56.048 -0.234 0.000 1.421 2268 H CB 0.808 30.388 29.762 -0.303 0.000 1.461 2268 H HN 0.429 nan 8.280 nan 0.000 0.525 2269 L N 7.202 128.089 121.223 -0.560 0.000 2.365 2269 L HA 0.389 4.729 4.340 0.000 0.000 0.273 2269 L C -1.220 175.581 176.870 -0.115 0.000 1.000 2269 L CA -1.006 53.685 54.840 -0.248 0.000 0.819 2269 L CB 1.462 43.280 42.059 -0.402 0.000 1.284 2269 L HN 0.739 nan 8.230 nan 0.000 0.418 2270 Y N 0.077 120.198 120.300 -0.299 0.000 2.330 2270 Y HA 0.619 5.169 4.550 0.000 0.000 0.324 2270 Y C 0.153 175.960 175.900 -0.155 0.000 1.093 2270 Y CA -1.377 56.617 58.100 -0.177 0.000 1.103 2270 Y CB 1.534 39.980 38.460 -0.023 0.000 1.183 2270 Y HN 0.562 nan 8.280 nan 0.000 0.433 2271 A N 2.200 124.996 122.820 -0.041 0.000 2.324 2271 A HA 0.231 4.551 4.320 0.000 0.000 0.240 2271 A C 1.061 178.614 177.584 -0.052 0.000 1.347 2271 A CA 0.431 52.417 52.037 -0.084 0.000 1.036 2271 A CB -1.185 17.778 19.000 -0.062 0.000 0.917 2271 A HN 0.942 nan 8.150 nan 0.000 0.519 2272 S N -0.803 114.892 115.700 -0.010 0.000 3.477 2272 S HA -0.279 4.191 4.470 0.000 0.000 0.357 2272 S C 1.305 175.899 174.600 -0.011 0.000 1.083 2272 S CA 1.370 59.614 58.200 0.073 0.000 1.042 2272 S CB -1.432 61.815 63.200 0.079 0.000 0.911 2272 S HN 0.921 nan 8.310 nan 0.000 0.490 2273 K N 0.545 120.886 120.400 -0.098 0.000 2.113 2273 K HA -0.109 4.211 4.320 0.000 0.000 0.208 2273 K C 0.823 177.110 176.600 -0.522 0.000 1.047 2273 K CA 1.789 57.863 56.287 -0.355 0.000 0.928 2273 K CB -0.136 32.037 32.500 -0.545 0.000 0.716 2273 K HN 0.564 nan 8.250 nan 0.000 0.446 2274 F N 0.796 120.769 119.950 0.039 0.000 2.639 2274 F HA 0.211 4.739 4.527 0.000 0.000 0.300 2274 F C 0.102 175.947 175.800 0.075 0.000 1.109 2274 F CA -0.984 57.051 58.000 0.058 0.000 1.335 2274 F CB 0.346 39.377 39.000 0.052 0.000 1.014 2274 F HN -0.034 nan 8.300 nan 0.000 0.537 2275 L N 1.358 122.672 121.223 0.152 0.000 2.371 2275 L HA 0.415 4.755 4.340 0.000 0.000 0.272 2275 L C -0.467 176.468 176.870 0.107 0.000 1.124 2275 L CA 0.377 55.287 54.840 0.116 0.000 0.816 2275 L CB 0.666 42.744 42.059 0.031 0.000 1.129 2275 L HN 0.026 nan 8.230 nan 0.000 0.448 2276 D N 4.358 124.841 120.400 0.138 0.000 2.296 2276 D HA 0.320 4.960 4.640 0.000 0.000 0.224 2276 D C -1.474 174.934 176.300 0.179 0.000 1.324 2276 D CA -0.115 53.993 54.000 0.179 0.000 0.940 2276 D CB 0.859 41.767 40.800 0.180 0.000 1.492 2276 D HN 0.870 nan 8.370 nan 0.000 0.531 2277 C N 1.602 121.020 119.300 0.196 0.000 3.284 2277 C HA 0.654 5.114 4.460 0.000 0.000 0.348 2277 C C -1.112 173.874 174.990 -0.007 0.000 1.448 2277 C CA -0.948 58.134 59.018 0.107 0.000 1.223 2277 C CB 1.898 29.735 27.740 0.163 0.000 1.588 2277 C HN 0.415 nan 8.230 nan 0.000 0.451 2278 K N 1.197 121.555 120.400 -0.070 0.000 2.264 2278 K HA 0.585 4.905 4.320 0.000 0.000 0.277 2278 K C 0.342 176.774 176.600 -0.281 0.000 1.067 2278 K CA 0.443 56.612 56.287 -0.197 0.000 0.900 2278 K CB 0.956 33.378 32.500 -0.130 0.000 1.124 2278 K HN 1.125 nan 8.250 nan 0.000 0.469 2279 G N 2.807 111.117 108.800 -0.817 0.000 2.702 2279 G HA2 0.274 4.234 3.960 0.000 0.000 0.254 2279 G HA3 0.274 4.234 3.960 0.000 0.000 0.254 2279 G C -0.806 173.820 174.900 -0.457 0.000 1.380 2279 G CA -0.724 43.791 45.100 -0.975 0.000 1.042 2279 G HN 0.556 nan 8.290 nan 0.000 0.557 2280 K N 0.338 120.566 120.400 -0.286 0.000 2.586 2280 K HA -0.017 4.303 4.320 0.000 0.000 0.280 2280 K C 0.208 176.758 176.600 -0.083 0.000 0.972 2280 K CA 0.968 57.193 56.287 -0.104 0.000 1.040 2280 K CB 0.211 32.690 32.500 -0.035 0.000 0.870 2280 K HN 0.566 nan 8.250 nan 0.000 0.497 2281 K N 0.648 121.022 120.400 -0.045 0.000 3.130 2281 K HA -0.275 4.046 4.320 0.000 0.000 0.282 2281 K C 0.685 177.254 176.600 -0.051 0.000 1.145 2281 K CA 0.553 56.820 56.287 -0.033 0.000 0.831 2281 K CB -1.857 30.633 32.500 -0.017 0.000 1.226 2281 K HN 1.139 nan 8.250 nan 0.000 0.478 2282 G N 0.726 109.477 108.800 -0.081 0.000 2.166 2282 G HA2 -0.387 3.573 3.960 0.000 0.000 0.260 2282 G HA3 -0.387 3.573 3.960 0.000 0.000 0.260 2282 G C -0.047 174.780 174.900 -0.121 0.000 0.986 2282 G CA 0.737 45.780 45.100 -0.096 0.000 0.683 2282 G HN 0.598 nan 8.290 nan 0.000 0.527 2283 E N -0.004 120.101 120.200 -0.158 0.000 2.398 2283 E HA 0.237 4.587 4.350 0.000 0.000 0.263 2283 E C 0.088 176.564 176.600 -0.207 0.000 1.046 2283 E CA -0.541 55.785 56.400 -0.125 0.000 0.908 2283 E CB 0.212 29.886 29.700 -0.043 0.000 0.963 2283 E HN 0.517 nan 8.360 nan 0.000 0.431 2284 H N 4.780 123.752 119.070 -0.163 0.000 2.685 2284 H HA 0.141 4.698 4.556 0.000 0.000 0.286 2284 H C -0.944 174.377 175.328 -0.012 0.000 1.102 2284 H CA -0.673 55.292 56.048 -0.137 0.000 1.254 2284 H CB 0.134 29.861 29.762 -0.058 0.000 1.397 2284 H HN 0.511 nan 8.280 nan 0.000 0.473 2285 Y N 5.342 125.688 120.300 0.078 0.000 2.496 2285 Y HA 0.080 4.630 4.550 0.000 0.000 0.334 2285 Y C 0.532 176.348 175.900 -0.139 0.000 1.080 2285 Y CA -0.484 57.571 58.100 -0.076 0.000 1.355 2285 Y CB 0.722 39.114 38.460 -0.113 0.000 1.193 2285 Y HN 0.516 nan 8.280 nan 0.000 0.523 2286 K N 1.854 122.220 120.400 -0.057 0.000 2.296 2286 K HA 0.699 5.019 4.320 0.000 0.000 0.243 2286 K C -0.535 176.021 176.600 -0.074 0.000 1.082 2286 K CA -1.258 54.946 56.287 -0.138 0.000 0.929 2286 K CB 0.824 33.173 32.500 -0.252 0.000 1.353 2286 K HN 0.622 nan 8.250 nan 0.000 0.536 2287 A N 1.142 123.911 122.820 -0.085 0.000 2.548 2287 A HA 0.036 4.357 4.320 0.000 0.000 0.247 2287 A C -0.103 177.426 177.584 -0.092 0.000 1.067 2287 A CA 0.614 52.592 52.037 -0.098 0.000 0.757 2287 A CB -1.092 17.831 19.000 -0.128 0.000 0.996 2287 A HN 0.921 nan 8.150 nan 0.000 0.504 2288 N N -0.210 118.438 118.700 -0.087 0.000 2.829 2288 N HA -0.229 4.512 4.740 0.000 0.000 0.250 2288 N C 0.903 176.362 175.510 -0.085 0.000 1.090 2288 N CA 0.875 53.877 53.050 -0.079 0.000 0.781 2288 N CB -0.647 37.796 38.487 -0.072 0.000 1.124 2288 N HN 0.780 nan 8.380 nan 0.000 0.559 2289 K N 0.990 121.331 120.400 -0.098 0.000 2.148 2289 K HA 0.165 4.485 4.320 0.000 0.000 0.204 2289 K C 0.413 176.915 176.600 -0.165 0.000 1.050 2289 K CA 1.692 57.897 56.287 -0.136 0.000 0.942 2289 K CB 0.299 32.687 32.500 -0.186 0.000 0.724 2289 K HN 0.436 nan 8.250 nan 0.000 0.446 2290 A N -0.701 122.044 122.820 -0.125 0.000 2.588 2290 A HA 0.606 4.926 4.320 0.000 0.000 0.290 2290 A C -1.953 175.591 177.584 -0.068 0.000 1.136 2290 A CA -0.773 51.212 52.037 -0.086 0.000 0.681 2290 A CB 0.876 19.826 19.000 -0.085 0.000 1.282 2290 A HN 0.125 nan 8.150 nan 0.000 0.421 2291 L N 0.898 122.071 121.223 -0.083 0.000 2.316 2291 L HA 0.762 5.102 4.340 0.000 0.000 0.280 2291 L C 0.264 176.946 176.870 -0.312 0.000 1.006 2291 L CA -0.144 54.548 54.840 -0.246 0.000 0.836 2291 L CB 0.904 42.709 42.059 -0.424 0.000 1.221 2291 L HN 1.097 nan 8.230 nan 0.000 0.418 2292 A N 6.495 128.899 122.820 -0.693 0.000 2.409 2292 A HA 0.606 4.927 4.320 0.000 0.000 0.262 2292 A C -0.284 177.067 177.584 -0.389 0.000 1.113 2292 A CA -0.165 51.281 52.037 -0.985 0.000 0.790 2292 A CB -0.168 17.355 19.000 -2.462 0.000 1.046 2292 A HN 0.713 nan 8.150 nan 0.000 0.496 2293 I N 2.951 123.494 120.570 -0.045 0.000 2.382 2293 I HA 0.244 4.414 4.170 0.000 0.000 0.285 2293 I C -0.268 175.905 176.117 0.094 0.000 1.007 2293 I CA -0.151 61.162 61.300 0.021 0.000 1.142 2293 I CB 1.411 39.394 38.000 -0.029 0.000 1.289 2293 I HN 0.810 nan 8.210 nan 0.000 0.453 2294 E N 6.834 127.067 120.200 0.054 0.000 2.346 2294 E HA 0.426 4.776 4.350 0.000 0.000 0.239 2294 E C -2.818 173.722 176.600 -0.100 0.000 0.943 2294 E CA -2.165 54.233 56.400 -0.004 0.000 0.751 2294 E CB 1.037 30.707 29.700 -0.051 0.000 1.241 2294 E HN 0.210 nan 8.360 nan 0.000 0.423 2295 P HA -0.058 nan 4.420 nan 0.000 0.267 2295 P C -0.791 176.132 177.300 -0.629 0.000 1.209 2295 P CA 0.510 63.470 63.100 -0.232 0.000 0.763 2295 P CB 0.577 32.223 31.700 -0.089 0.000 0.816 2296 Q N 1.456 120.882 119.800 -0.623 0.000 2.869 2296 Q HA 0.457 4.797 4.340 0.000 0.000 0.322 2296 Q C -1.320 174.516 176.000 -0.273 0.000 0.832 2296 Q CA -0.860 54.471 55.803 -0.786 0.000 0.791 2296 Q CB 0.532 29.071 28.738 -0.332 0.000 1.412 2296 Q HN 0.095 nan 8.270 nan 0.000 0.483 2297 F N 0.734 120.725 119.950 0.068 0.000 2.370 2297 F HA 0.349 4.876 4.527 0.000 0.000 0.319 2297 F C 0.396 176.264 175.800 0.113 0.000 1.129 2297 F CA -0.328 57.796 58.000 0.206 0.000 1.109 2297 F CB 0.643 39.802 39.000 0.265 0.000 1.262 2297 F HN 0.511 nan 8.300 nan 0.000 0.534 2298 H N 0.114 119.262 119.070 0.130 0.000 3.115 2298 H HA -0.001 4.556 4.556 0.000 0.000 0.324 2298 H C 0.127 175.500 175.328 0.075 0.000 1.007 2298 H CA -0.132 55.867 56.048 -0.081 0.000 1.385 2298 H CB -0.130 29.318 29.762 -0.524 0.000 1.351 2298 H HN 0.388 nan 8.280 nan 0.000 0.592 2299 S N 1.956 117.751 115.700 0.158 0.000 2.568 2299 S HA 0.285 4.755 4.470 0.000 0.000 0.282 2299 S C 1.033 175.855 174.600 0.370 0.000 1.338 2299 S CA 0.130 58.443 58.200 0.187 0.000 1.045 2299 S CB 0.420 63.690 63.200 0.116 0.000 0.873 2299 S HN 0.913 nan 8.310 nan 0.000 0.516 2300 A N 0.953 123.958 122.820 0.309 0.000 2.847 2300 A HA -0.228 4.092 4.320 0.000 0.000 0.263 2300 A C 1.653 179.518 177.584 0.468 0.000 1.391 2300 A CA 1.195 53.452 52.037 0.367 0.000 0.866 2300 A CB -2.243 17.048 19.000 0.485 0.000 1.057 2300 A HN 1.364 nan 8.150 nan 0.000 0.673 2301 A N -0.417 122.672 122.820 0.448 0.000 1.940 2301 A HA 0.051 4.372 4.320 0.000 0.000 0.219 2301 A C 0.184 177.896 177.584 0.212 0.000 1.176 2301 A CA 2.004 54.294 52.037 0.421 0.000 0.631 2301 A CB -1.242 17.938 19.000 0.300 0.000 0.814 2301 A HN 0.560 nan 8.150 nan 0.000 0.446 2302 P HA -0.089 nan 4.420 nan 0.000 0.223 2302 P C 0.309 177.615 177.300 0.011 0.000 1.144 2302 P CA 1.390 64.535 63.100 0.074 0.000 0.783 2302 P CB -0.200 31.533 31.700 0.054 0.000 0.771 2303 N N -2.503 116.148 118.700 -0.080 0.000 2.254 2303 N HA 0.138 4.878 4.740 0.000 0.000 0.190 2303 N C -0.386 174.726 175.510 -0.663 0.000 1.107 2303 N CA 0.055 52.890 53.050 -0.358 0.000 0.869 2303 N CB 0.174 38.349 38.487 -0.521 0.000 0.983 2303 N HN 0.073 nan 8.380 nan 0.000 0.487 2304 F N 0.521 120.380 119.950 -0.153 0.000 2.496 2304 F HA 0.205 4.732 4.527 0.000 0.000 0.341 2304 F C 0.241 175.913 175.800 -0.213 0.000 1.134 2304 F CA -1.361 56.452 58.000 -0.311 0.000 0.968 2304 F CB 1.399 39.806 39.000 -0.989 0.000 1.205 2304 F HN -0.023 nan 8.300 nan 0.000 0.436 2305 D N -0.328 120.141 120.400 0.116 0.000 2.351 2305 D HA -0.225 4.415 4.640 0.000 0.000 0.216 2305 D C 1.554 177.946 176.300 0.153 0.000 0.968 2305 D CA 1.284 55.351 54.000 0.111 0.000 0.899 2305 D CB -0.461 40.390 40.800 0.085 0.000 0.907 2305 D HN 0.603 nan 8.370 nan 0.000 0.514 2306 H N -1.617 117.482 119.070 0.048 0.000 2.539 2306 H HA 0.148 4.705 4.556 0.000 0.000 0.267 2306 H C -0.112 175.356 175.328 0.232 0.000 0.982 2306 H CA -0.329 55.774 56.048 0.091 0.000 1.146 2306 H CB -0.515 29.284 29.762 0.062 0.000 1.382 2306 H HN 0.037 nan 8.280 nan 0.000 0.577 2307 F N 2.385 122.136 119.950 -0.332 0.000 2.380 2307 F HA 0.437 4.964 4.527 0.000 0.000 0.321 2307 F C -1.753 173.916 175.800 -0.218 0.000 1.103 2307 F CA -3.454 54.309 58.000 -0.395 0.000 1.067 2307 F CB 0.299 39.128 39.000 -0.285 0.000 1.265 2307 F HN -0.071 nan 8.300 nan 0.000 0.517 2308 P HA -0.047 nan 4.420 nan 0.000 0.265 2308 P C -0.617 176.694 177.300 0.019 0.000 1.187 2308 P CA 0.060 63.172 63.100 0.020 0.000 0.766 2308 P CB 0.351 32.142 31.700 0.152 0.000 0.820 2309 D N 2.373 122.770 120.400 -0.006 0.000 2.339 2309 D HA 0.038 4.678 4.640 0.000 0.000 0.256 2309 D C 0.496 176.721 176.300 -0.125 0.000 1.214 2309 D CA -0.158 53.832 54.000 -0.015 0.000 0.877 2309 D CB 0.574 41.379 40.800 0.008 0.000 1.111 2309 D HN 0.106 nan 8.370 nan 0.000 0.478 2310 V N 1.848 121.683 119.914 -0.132 0.000 3.177 2310 V HA 0.236 4.356 4.120 0.000 0.000 0.342 2310 V C 0.592 176.636 176.094 -0.084 0.000 1.379 2310 V CA -0.283 61.859 62.300 -0.264 0.000 1.191 2310 V CB -0.887 30.770 31.823 -0.277 0.000 1.167 2310 V HN 0.445 nan 8.190 nan 0.000 0.471 2311 S N 1.339 117.051 115.700 0.020 0.000 2.585 2311 S HA 0.627 5.098 4.470 0.000 0.000 0.273 2311 S C -0.653 173.992 174.600 0.074 0.000 1.339 2311 S CA -0.400 57.872 58.200 0.120 0.000 1.028 2311 S CB 1.860 65.248 63.200 0.312 0.000 0.906 2311 S HN 0.658 nan 8.310 nan 0.000 0.528 2312 L N 1.824 123.086 121.223 0.064 0.000 2.406 2312 L HA 0.620 4.961 4.340 0.000 0.000 0.272 2312 L C -0.627 176.279 176.870 0.061 0.000 0.980 2312 L CA -0.421 54.452 54.840 0.056 0.000 0.831 2312 L CB 1.594 43.662 42.059 0.014 0.000 1.253 2312 L HN 0.878 nan 8.230 nan 0.000 0.406 2313 R N 4.371 124.909 120.500 0.062 0.000 2.803 2313 R HA 0.636 4.976 4.340 0.000 0.000 0.276 2313 R C -2.554 173.758 176.300 0.020 0.000 0.978 2313 R CA -2.079 54.057 56.100 0.060 0.000 0.939 2313 R CB 1.220 31.564 30.300 0.074 0.000 1.179 2313 R HN 0.412 nan 8.270 nan 0.000 0.472 2314 P HA -0.084 nan 4.420 nan 0.000 0.261 2314 P C 0.562 177.861 177.300 -0.003 0.000 1.173 2314 P CA 1.405 64.502 63.100 -0.006 0.000 0.760 2314 P CB 0.513 32.218 31.700 0.007 0.000 0.783 2315 G N 2.215 110.998 108.800 -0.029 0.000 2.308 2315 G HA2 -0.180 3.780 3.960 0.000 0.000 0.221 2315 G HA3 -0.180 3.780 3.960 0.000 0.000 0.221 2315 G C 0.057 174.966 174.900 0.014 0.000 1.032 2315 G CA -0.269 44.835 45.100 0.006 0.000 0.623 2315 G HN 0.513 nan 8.290 nan 0.000 0.506 2316 D N 0.790 121.188 120.400 -0.004 0.000 2.354 2316 D HA 0.568 5.208 4.640 0.000 0.000 0.247 2316 D C -0.242 176.019 176.300 -0.066 0.000 1.138 2316 D CA 0.232 54.265 54.000 0.056 0.000 0.958 2316 D CB 0.643 41.482 40.800 0.065 0.000 1.144 2316 D HN 0.433 nan 8.370 nan 0.000 0.458 2317 H N -0.366 118.762 119.070 0.096 0.000 2.727 2317 H HA 0.167 4.723 4.556 0.000 0.000 0.330 2317 H C -0.952 174.464 175.328 0.146 0.000 0.986 2317 H CA -0.638 55.486 56.048 0.127 0.000 1.251 2317 H CB 0.751 30.666 29.762 0.256 0.000 1.493 2317 H HN 0.300 nan 8.280 nan 0.000 0.515 2318 Y N 3.050 123.369 120.300 0.030 0.000 2.402 2318 Y HA 0.326 4.877 4.550 0.000 0.000 0.333 2318 Y C -0.533 175.478 175.900 0.186 0.000 1.076 2318 Y CA -0.132 58.019 58.100 0.085 0.000 1.299 2318 Y CB 0.469 38.948 38.460 0.030 0.000 1.197 2318 Y HN 0.673 nan 8.280 nan 0.000 0.517 2319 C N 8.126 127.451 119.300 0.041 0.000 2.620 2319 C HA 0.500 4.960 4.460 0.000 0.000 0.356 2319 C C -1.551 173.362 174.990 -0.127 0.000 1.082 2319 C CA -0.400 58.697 59.018 0.131 0.000 1.293 2319 C CB 0.262 28.102 27.740 0.167 0.000 1.836 2319 C HN 0.876 nan 8.230 nan 0.000 0.453 2320 Q N 3.078 122.822 119.800 -0.095 0.000 2.456 2320 Q HA 0.620 4.960 4.340 0.000 0.000 0.284 2320 Q C -1.166 174.708 176.000 -0.210 0.000 1.061 2320 Q CA -0.369 55.221 55.803 -0.356 0.000 0.799 2320 Q CB 2.666 30.894 28.738 -0.849 0.000 1.445 2320 Q HN 0.939 nan 8.270 nan 0.000 0.411 2321 E N 0.309 120.346 120.200 -0.270 0.000 2.408 2321 E HA 0.791 5.141 4.350 0.000 0.000 0.275 2321 E C -1.163 175.357 176.600 -0.134 0.000 0.935 2321 E CA -0.769 55.534 56.400 -0.163 0.000 0.775 2321 E CB 1.841 31.480 29.700 -0.103 0.000 1.277 2321 E HN 0.436 nan 8.360 nan 0.000 0.455 2322 I N 1.530 122.037 120.570 -0.106 0.000 2.534 2322 I HA 0.367 4.537 4.170 0.000 0.000 0.288 2322 I C -1.189 174.844 176.117 -0.140 0.000 1.077 2322 I CA -1.269 59.944 61.300 -0.145 0.000 1.051 2322 I CB 2.274 40.198 38.000 -0.127 0.000 1.234 2322 I HN 0.362 nan 8.210 nan 0.000 0.425 2323 V N 6.294 126.062 119.914 -0.243 0.000 2.378 2323 V HA 0.380 4.500 4.120 0.000 0.000 0.288 2323 V C -1.071 174.843 176.094 -0.300 0.000 1.016 2323 V CA -0.664 61.544 62.300 -0.153 0.000 0.840 2323 V CB 1.144 32.888 31.823 -0.133 0.000 0.994 2323 V HN 0.403 nan 8.190 nan 0.000 0.431 2324 Y N 2.090 122.270 120.300 -0.200 0.000 2.335 2324 Y HA 0.586 5.136 4.550 0.000 0.000 0.339 2324 Y C 0.814 176.345 175.900 -0.615 0.000 0.987 2324 Y CA -0.616 57.211 58.100 -0.457 0.000 1.140 2324 Y CB 1.738 39.929 38.460 -0.448 0.000 1.173 2324 Y HN 0.520 nan 8.280 nan 0.000 0.486 2325 T N 5.013 119.215 114.554 -0.587 0.000 2.779 2325 T HA 0.531 4.881 4.350 0.000 0.000 0.280 2325 T C -0.866 173.384 174.700 -0.751 0.000 0.987 2325 T CA -0.644 61.160 62.100 -0.494 0.000 0.966 2325 T CB 0.159 68.859 68.868 -0.280 0.000 0.933 2325 T HN 0.210 nan 8.240 nan 0.000 0.442 2326 F N 2.366 122.107 119.950 -0.348 0.000 2.443 2326 F HA 0.678 5.205 4.527 0.000 0.000 0.335 2326 F C 1.022 176.514 175.800 -0.514 0.000 1.104 2326 F CA -0.555 57.067 58.000 -0.629 0.000 1.013 2326 F CB 1.631 39.852 39.000 -1.297 0.000 1.136 2326 F HN 0.678 nan 8.300 nan 0.000 0.470 2327 S N 0.715 116.307 115.700 -0.180 0.000 2.790 2327 S HA 0.643 5.113 4.470 0.000 0.000 0.292 2327 S C -1.611 172.889 174.600 -0.165 0.000 1.197 2327 S CA -1.082 57.093 58.200 -0.041 0.000 0.851 2327 S CB 1.680 64.859 63.200 -0.034 0.000 1.217 2327 S HN 0.605 nan 8.310 nan 0.000 0.526 2328 H N -0.695 118.469 119.070 0.156 0.000 2.569 2328 H HA 0.625 5.181 4.556 0.000 0.000 0.357 2328 H C -0.781 174.535 175.328 -0.020 0.000 1.153 2328 H CA -0.810 55.293 56.048 0.093 0.000 1.193 2328 H CB 1.639 31.447 29.762 0.076 0.000 1.602 2328 H HN 0.510 nan 8.280 nan 0.000 0.523 2329 V N 3.991 123.938 119.914 0.055 0.000 2.509 2329 V HA -0.062 4.059 4.120 0.000 0.000 0.297 2329 V C 0.179 176.228 176.094 -0.074 0.000 1.014 2329 V CA 0.244 62.480 62.300 -0.107 0.000 1.127 2329 V CB -1.106 30.646 31.823 -0.118 0.000 0.925 2329 V HN 0.955 nan 8.190 nan 0.000 0.480 2330 N N 0.000 118.624 118.700 -0.127 0.000 1.763 2330 N HA 0.000 4.740 4.740 0.000 0.000 0.220 2330 N CA 0.000 52.994 53.050 -0.093 0.000 0.885 2330 N CB 0.000 38.437 38.487 -0.083 0.000 1.341 2330 N HN 0.000 nan 8.380 nan 0.000 0.667