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 1lvu_1_F DATA FIRST_RESID 2001 DATA SEQUENCE MQNGYTYEDY QDTAKWLLSH TEQRPQVAVI CGSGLGGLVN KLTQAQTFDY DATA SEQUENCE SEIPNFPEST VPGHAGRLVF GILNGRACVM MQGRFHMYEG YPFWKVTFPV DATA SEQUENCE RVFRLLGVET LVVTNAAGGL NPNFEVGDIM LIRDHINLPG FSGQNPLRGP DATA SEQUENCE NEERFGVRFP AMSDAYDRDM RQKAHSTWKQ MGEQRELQEG TYVMLGGPNF DATA SEQUENCE ETVAECRLLR NLGADAVGMS TVPEVIVARH CGLRVFGFSL ITNKVIMDYE DATA SEQUENCE XXXXXXXXXX XXXXXQAAQK LEQFVSLLMA SIPV 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 0.000 176.338 176.300 0.063 0.000 1.140 2001 M CA 0.000 55.397 55.300 0.162 0.000 0.988 2001 M CB 0.000 32.791 32.600 0.319 0.000 1.302 2002 Q N 2.107 121.886 119.800 -0.034 0.000 2.523 2002 Q HA 0.477 4.817 4.340 0.000 0.000 0.251 2002 Q C -1.148 174.499 176.000 -0.588 0.000 1.033 2002 Q CA -0.130 55.553 55.803 -0.200 0.000 0.746 2002 Q CB 0.743 29.382 28.738 -0.166 0.000 1.189 2002 Q HN 0.789 nan 8.270 nan 0.000 0.508 2003 N N 2.281 120.641 118.700 -0.567 0.000 2.256 2003 N HA -0.094 4.646 4.740 0.000 0.000 0.277 2003 N C 0.761 175.603 175.510 -1.113 0.000 1.362 2003 N CA 1.226 53.721 53.050 -0.925 0.000 0.861 2003 N CB 0.783 39.167 38.487 -0.172 0.000 1.136 2003 N HN 0.827 nan 8.380 nan 0.000 0.492 2004 G N 3.052 110.527 108.800 -2.208 0.000 2.650 2004 G HA2 -0.116 3.844 3.960 0.000 0.000 0.214 2004 G HA3 -0.116 3.844 3.960 0.000 0.000 0.214 2004 G C -0.033 174.395 174.900 -0.786 0.000 1.136 2004 G CA 0.257 44.495 45.100 -1.437 0.000 0.789 2004 G HN 0.578 nan 8.290 nan 0.000 0.536 2005 Y N 1.495 121.538 120.300 -0.427 0.000 2.304 2005 Y HA 0.423 4.973 4.550 0.000 0.000 0.328 2005 Y C 1.143 177.003 175.900 -0.068 0.000 1.123 2005 Y CA -0.994 56.968 58.100 -0.230 0.000 1.218 2005 Y CB 1.088 39.362 38.460 -0.309 0.000 1.207 2005 Y HN -0.013 nan 8.280 nan 0.000 0.495 2006 T N -1.043 113.593 114.554 0.137 0.000 2.927 2006 T HA 0.122 4.472 4.350 0.000 0.000 0.281 2006 T C 0.796 175.706 174.700 0.350 0.000 0.998 2006 T CA -0.540 61.680 62.100 0.199 0.000 1.019 2006 T CB 0.665 69.603 68.868 0.117 0.000 1.061 2006 T HN 0.643 nan 8.240 nan 0.000 0.518 2007 Y N 1.035 121.501 120.300 0.275 0.000 2.151 2007 Y HA -0.137 4.413 4.550 0.000 0.000 0.284 2007 Y C 2.438 178.504 175.900 0.277 0.000 1.166 2007 Y CA 2.113 60.405 58.100 0.320 0.000 1.163 2007 Y CB -0.383 38.120 38.460 0.072 0.000 0.974 2007 Y HN 0.854 nan 8.280 nan 0.000 0.511 2008 E N -0.467 119.845 120.200 0.186 0.000 2.265 2008 E HA -0.199 4.151 4.350 0.000 0.000 0.196 2008 E C 1.645 178.272 176.600 0.046 0.000 0.996 2008 E CA 0.965 57.410 56.400 0.076 0.000 0.832 2008 E CB -0.110 29.652 29.700 0.103 0.000 0.756 2008 E HN 0.590 nan 8.360 nan 0.000 0.491 2009 D N 0.267 120.699 120.400 0.053 0.000 2.097 2009 D HA -0.164 4.476 4.640 0.000 0.000 0.195 2009 D C 1.747 178.064 176.300 0.028 0.000 0.989 2009 D CA 1.182 55.191 54.000 0.015 0.000 0.827 2009 D CB -0.357 40.438 40.800 -0.009 0.000 0.966 2009 D HN 0.275 nan 8.370 nan 0.000 0.456 2010 Y N 1.572 121.916 120.300 0.073 0.000 2.165 2010 Y HA -0.158 4.392 4.550 0.000 0.000 0.286 2010 Y C 2.684 178.521 175.900 -0.106 0.000 1.155 2010 Y CA 1.081 59.140 58.100 -0.069 0.000 1.164 2010 Y CB -0.524 37.885 38.460 -0.085 0.000 0.978 2010 Y HN 0.039 nan 8.280 nan 0.000 0.513 2011 Q N -0.129 119.663 119.800 -0.014 0.000 2.084 2011 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 2011 Q C 1.620 177.650 176.000 0.049 0.000 0.978 2011 Q CA 1.493 57.272 55.803 -0.039 0.000 0.844 2011 Q CB -0.186 28.493 28.738 -0.100 0.000 0.898 2011 Q HN 0.492 nan 8.270 nan 0.000 0.426 2012 D N -0.120 120.320 120.400 0.068 0.000 2.117 2012 D HA -0.113 4.527 4.640 0.000 0.000 0.197 2012 D C 1.867 178.254 176.300 0.144 0.000 0.987 2012 D CA 1.448 55.508 54.000 0.101 0.000 0.829 2012 D CB -0.287 40.561 40.800 0.080 0.000 0.961 2012 D HN 0.174 nan 8.370 nan 0.000 0.460 2013 T N 0.721 115.364 114.554 0.147 0.000 2.737 2013 T HA -0.092 4.258 4.350 0.000 0.000 0.265 2013 T C 2.034 176.856 174.700 0.204 0.000 1.038 2013 T CA 1.514 63.724 62.100 0.183 0.000 1.144 2013 T CB -0.305 68.728 68.868 0.275 0.000 0.866 2013 T HN 0.188 nan 8.240 nan 0.000 0.434 2014 A N 1.623 124.532 122.820 0.149 0.000 1.902 2014 A HA -0.135 4.185 4.320 0.000 0.000 0.217 2014 A C 2.216 179.889 177.584 0.149 0.000 1.181 2014 A CA 2.070 54.195 52.037 0.146 0.000 0.623 2014 A CB -0.566 18.494 19.000 0.100 0.000 0.818 2014 A HN 0.499 nan 8.150 nan 0.000 0.443 2015 K N -1.801 118.683 120.400 0.139 0.000 2.057 2015 K HA -0.220 4.100 4.320 0.000 0.000 0.207 2015 K C 1.840 178.538 176.600 0.163 0.000 1.049 2015 K CA 1.633 57.995 56.287 0.126 0.000 0.931 2015 K CB -0.341 32.227 32.500 0.113 0.000 0.714 2015 K HN 0.630 nan 8.250 nan 0.000 0.440 2016 W N 1.345 122.650 121.300 0.009 0.000 2.355 2016 W HA -0.167 4.493 4.660 0.000 0.000 0.309 2016 W C 1.480 177.954 176.519 -0.075 0.000 1.206 2016 W CA 1.464 58.793 57.345 -0.027 0.000 1.284 2016 W CB -0.157 29.218 29.460 -0.141 0.000 1.145 2016 W HN 0.016 nan 8.180 nan 0.000 0.502 2017 L N -0.004 121.341 121.223 0.203 0.000 2.056 2017 L HA -0.240 4.100 4.340 0.000 0.000 0.207 2017 L C 2.459 179.255 176.870 -0.123 0.000 1.078 2017 L CA 1.152 55.970 54.840 -0.038 0.000 0.749 2017 L CB -1.011 41.141 42.059 0.155 0.000 0.901 2017 L HN 0.041 nan 8.230 nan 0.000 0.433 2018 L N -0.405 120.811 121.223 -0.011 0.000 2.191 2018 L HA -0.170 4.170 4.340 0.000 0.000 0.212 2018 L C 2.559 179.383 176.870 -0.076 0.000 1.103 2018 L CA 1.429 56.251 54.840 -0.030 0.000 0.769 2018 L CB -0.455 41.618 42.059 0.023 0.000 0.908 2018 L HN 0.400 nan 8.230 nan 0.000 0.438 2019 S N -2.999 112.650 115.700 -0.085 0.000 2.548 2019 S HA -0.031 4.439 4.470 0.000 0.000 0.215 2019 S C 1.348 175.764 174.600 -0.307 0.000 0.976 2019 S CA -0.049 58.059 58.200 -0.155 0.000 0.908 2019 S CB -0.191 62.926 63.200 -0.139 0.000 0.781 2019 S HN 0.432 nan 8.310 nan 0.000 0.519 2020 H N 0.793 119.605 119.070 -0.429 0.000 2.622 2020 H HA 0.431 4.987 4.556 0.000 0.000 0.269 2020 H C 0.350 175.612 175.328 -0.111 0.000 0.977 2020 H CA 0.608 56.423 56.048 -0.388 0.000 1.179 2020 H CB 0.828 30.098 29.762 -0.820 0.000 1.458 2020 H HN 0.408 nan 8.280 nan 0.000 0.531 2021 T N -0.162 114.337 114.554 -0.091 0.000 2.916 2021 T HA 0.142 4.492 4.350 0.000 0.000 0.305 2021 T C 0.153 174.766 174.700 -0.145 0.000 1.119 2021 T CA -0.743 61.284 62.100 -0.122 0.000 1.008 2021 T CB 1.418 70.102 68.868 -0.306 0.000 1.129 2021 T HN 0.269 nan 8.240 nan 0.000 0.480 2022 E N 2.730 122.868 120.200 -0.102 0.000 2.474 2022 E HA 0.100 4.450 4.350 0.000 0.000 0.194 2022 E C 0.170 176.744 176.600 -0.043 0.000 1.041 2022 E CA -0.010 56.349 56.400 -0.067 0.000 0.874 2022 E CB 0.101 29.771 29.700 -0.049 0.000 0.914 2022 E HN 0.699 nan 8.360 nan 0.000 0.498 2023 Q N 1.267 121.035 119.800 -0.053 0.000 2.352 2023 Q HA 0.267 4.607 4.340 0.000 0.000 0.260 2023 Q C -0.106 175.937 176.000 0.073 0.000 0.976 2023 Q CA 0.061 55.880 55.803 0.027 0.000 0.881 2023 Q CB 0.877 29.672 28.738 0.095 0.000 1.235 2023 Q HN -0.083 nan 8.270 nan 0.000 0.419 2024 R N 2.946 123.506 120.500 0.100 0.000 2.494 2024 R HA 0.314 4.654 4.340 0.000 0.000 0.284 2024 R C -2.565 173.805 176.300 0.117 0.000 1.525 2024 R CA -1.802 54.366 56.100 0.113 0.000 1.460 2024 R CB 0.829 31.171 30.300 0.068 0.000 1.134 2024 R HN 0.540 nan 8.270 nan 0.000 0.592 2025 P HA 0.153 nan 4.420 nan 0.000 0.275 2025 P C -0.257 177.070 177.300 0.045 0.000 1.227 2025 P CA -0.244 62.906 63.100 0.083 0.000 0.781 2025 P CB 1.254 32.985 31.700 0.052 0.000 0.906 2026 Q N 0.542 120.355 119.800 0.022 0.000 2.319 2026 Q HA 0.222 4.562 4.340 0.000 0.000 0.209 2026 Q C 0.244 176.241 176.000 -0.005 0.000 0.884 2026 Q CA 0.185 55.999 55.803 0.018 0.000 0.938 2026 Q CB 0.383 29.136 28.738 0.025 0.000 1.098 2026 Q HN 0.328 nan 8.270 nan 0.000 0.517 2027 V N -0.210 119.680 119.914 -0.039 0.000 2.709 2027 V HA 0.889 5.009 4.120 0.000 0.000 0.308 2027 V C -1.731 174.251 176.094 -0.186 0.000 1.062 2027 V CA -0.995 61.261 62.300 -0.073 0.000 0.901 2027 V CB 1.684 33.490 31.823 -0.027 0.000 1.003 2027 V HN 0.049 nan 8.190 nan 0.000 0.425 2028 A N 5.570 128.238 122.820 -0.253 0.000 2.350 2028 A HA 0.929 5.249 4.320 0.000 0.000 0.324 2028 A C -1.160 176.238 177.584 -0.310 0.000 1.118 2028 A CA -0.597 51.164 52.037 -0.459 0.000 0.783 2028 A CB 1.965 20.506 19.000 -0.765 0.000 1.236 2028 A HN 1.227 nan 8.150 nan 0.000 0.457 2029 V N 2.856 122.592 119.914 -0.297 0.000 2.638 2029 V HA 0.401 4.521 4.120 0.000 0.000 0.306 2029 V C -0.604 175.414 176.094 -0.127 0.000 1.052 2029 V CA -0.183 62.003 62.300 -0.190 0.000 0.885 2029 V CB 1.667 33.402 31.823 -0.147 0.000 0.999 2029 V HN 0.761 nan 8.190 nan 0.000 0.424 2030 I N 3.613 124.131 120.570 -0.086 0.000 2.328 2030 I HA 0.327 4.497 4.170 0.000 0.000 0.287 2030 I C -0.208 175.886 176.117 -0.039 0.000 1.012 2030 I CA -0.198 61.080 61.300 -0.038 0.000 1.195 2030 I CB 1.192 39.172 38.000 -0.034 0.000 1.350 2030 I HN 0.560 nan 8.210 nan 0.000 0.464 2031 C N 5.879 125.169 119.300 -0.018 0.000 2.482 2031 C HA 0.431 4.891 4.460 0.000 0.000 0.378 2031 C C 1.373 176.372 174.990 0.015 0.000 1.284 2031 C CA -0.603 58.415 59.018 -0.001 0.000 1.826 2031 C CB -0.443 27.301 27.740 0.007 0.000 2.473 2031 C HN 0.924 nan 8.230 nan 0.000 0.562 2032 G N 2.240 111.059 108.800 0.031 0.000 2.611 2032 G HA2 0.340 4.300 3.960 0.000 0.000 0.273 2032 G HA3 0.340 4.300 3.960 0.000 0.000 0.273 2032 G C 0.129 175.081 174.900 0.087 0.000 1.305 2032 G CA -0.237 44.902 45.100 0.064 0.000 1.010 2032 G HN 0.802 nan 8.290 nan 0.000 0.509 2033 S N -1.063 114.712 115.700 0.125 0.000 2.537 2033 S HA 0.387 4.857 4.470 0.000 0.000 0.286 2033 S C 1.603 176.257 174.600 0.090 0.000 1.299 2033 S CA 1.069 59.340 58.200 0.119 0.000 1.067 2033 S CB -0.121 63.161 63.200 0.138 0.000 0.864 2033 S HN 2.213 nan 8.310 nan 0.000 0.494 2034 G N 3.608 112.455 108.800 0.078 0.000 2.189 2034 G HA2 -0.217 3.743 3.960 0.000 0.000 0.267 2034 G HA3 -0.217 3.743 3.960 0.000 0.000 0.267 2034 G C 0.401 175.335 174.900 0.057 0.000 0.975 2034 G CA 0.663 45.803 45.100 0.066 0.000 0.644 2034 G HN 0.785 nan 8.290 nan 0.000 0.537 2035 L N 0.373 121.630 121.223 0.056 0.000 2.857 2035 L HA 0.367 4.707 4.340 0.000 0.000 0.249 2035 L C 2.417 179.307 176.870 0.033 0.000 1.172 2035 L CA 0.413 55.279 54.840 0.044 0.000 0.980 2035 L CB 0.247 42.334 42.059 0.046 0.000 1.299 2035 L HN 0.193 nan 8.230 nan 0.000 0.535 2036 G N 0.327 109.150 108.800 0.037 0.000 2.471 2036 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 2036 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 2036 G C 1.533 176.443 174.900 0.016 0.000 1.125 2036 G CA 0.685 45.801 45.100 0.027 0.000 0.775 2036 G HN 0.470 nan 8.290 nan 0.000 0.548 2037 G N 0.763 109.575 108.800 0.020 0.000 2.527 2037 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 2037 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 2037 G C 1.600 176.504 174.900 0.007 0.000 1.117 2037 G CA 0.770 45.878 45.100 0.013 0.000 0.759 2037 G HN 0.403 nan 8.290 nan 0.000 0.556 2038 L N 0.716 121.942 121.223 0.006 0.000 2.127 2038 L HA -0.023 4.317 4.340 0.000 0.000 0.211 2038 L C 2.840 179.705 176.870 -0.008 0.000 1.089 2038 L CA 1.184 56.024 54.840 -0.001 0.000 0.757 2038 L CB -0.354 41.702 42.059 -0.005 0.000 0.899 2038 L HN 0.088 nan 8.230 nan 0.000 0.434 2039 V N 0.229 120.137 119.914 -0.009 0.000 2.568 2039 V HA -0.272 3.848 4.120 0.000 0.000 0.253 2039 V C 2.017 178.105 176.094 -0.010 0.000 1.072 2039 V CA 1.692 63.983 62.300 -0.014 0.000 1.084 2039 V CB -0.920 30.894 31.823 -0.016 0.000 0.676 2039 V HN 0.562 nan 8.190 nan 0.000 0.469 2040 N N 0.109 118.805 118.700 -0.007 0.000 2.550 2040 N HA -0.065 4.675 4.740 0.000 0.000 0.186 2040 N C 1.517 177.025 175.510 -0.004 0.000 1.110 2040 N CA 0.696 53.742 53.050 -0.006 0.000 0.912 2040 N CB -0.084 38.400 38.487 -0.004 0.000 0.968 2040 N HN 0.540 nan 8.380 nan 0.000 0.448 2041 K N 0.170 120.568 120.400 -0.004 0.000 2.393 2041 K HA 0.189 4.509 4.320 0.000 0.000 0.193 2041 K C 0.365 176.964 176.600 -0.002 0.000 1.026 2041 K CA -0.015 56.270 56.287 -0.003 0.000 1.064 2041 K CB 0.497 32.996 32.500 -0.001 0.000 0.833 2041 K HN 0.087 nan 8.250 nan 0.000 0.521 2042 L N 1.752 122.973 121.223 -0.004 0.000 2.417 2042 L HA 0.111 4.451 4.340 0.000 0.000 0.268 2042 L C 0.675 177.546 176.870 0.002 0.000 1.158 2042 L CA -0.282 54.558 54.840 -0.000 0.000 0.819 2042 L CB 0.921 42.980 42.059 -0.000 0.000 1.112 2042 L HN 0.097 nan 8.230 nan 0.000 0.458 2043 T N -1.443 113.115 114.554 0.006 0.000 2.932 2043 T HA 0.352 4.702 4.350 0.000 0.000 0.289 2043 T C -0.221 174.485 174.700 0.010 0.000 1.039 2043 T CA -0.785 61.318 62.100 0.005 0.000 1.024 2043 T CB 1.638 70.508 68.868 0.004 0.000 1.090 2043 T HN 0.640 nan 8.240 nan 0.000 0.496 2044 Q N -0.601 119.202 119.800 0.005 0.000 2.451 2044 Q HA -0.174 4.166 4.340 0.000 0.000 0.305 2044 Q C 0.148 176.157 176.000 0.015 0.000 1.345 2044 Q CA 0.414 56.221 55.803 0.006 0.000 0.854 2044 Q CB -2.166 26.578 28.738 0.010 0.000 1.162 2044 Q HN 1.062 nan 8.270 nan 0.000 0.440 2045 A N 1.045 123.871 122.820 0.009 0.000 2.340 2045 A HA 0.471 4.791 4.320 0.000 0.000 0.268 2045 A C 0.055 177.633 177.584 -0.010 0.000 1.100 2045 A CA -0.049 51.999 52.037 0.018 0.000 0.803 2045 A CB 0.999 20.003 19.000 0.007 0.000 1.043 2045 A HN 0.363 nan 8.150 nan 0.000 0.488 2046 Q N 0.949 120.752 119.800 0.004 0.000 2.292 2046 Q HA 0.491 4.831 4.340 0.000 0.000 0.270 2046 Q C -1.249 174.659 176.000 -0.153 0.000 1.024 2046 Q CA -0.378 55.354 55.803 -0.117 0.000 0.768 2046 Q CB 1.671 30.325 28.738 -0.139 0.000 1.250 2046 Q HN 0.727 nan 8.270 nan 0.000 0.447 2047 T N 3.245 117.631 114.554 -0.280 0.000 2.895 2047 T HA 0.633 4.983 4.350 0.000 0.000 0.283 2047 T C -1.103 173.341 174.700 -0.427 0.000 1.014 2047 T CA -0.260 61.711 62.100 -0.215 0.000 1.037 2047 T CB 0.530 69.340 68.868 -0.098 0.000 1.006 2047 T HN 0.349 nan 8.240 nan 0.000 0.468 2048 F N 1.291 121.331 119.950 0.150 0.000 2.539 2048 F HA 0.321 4.848 4.527 0.000 0.000 0.318 2048 F C 0.185 176.023 175.800 0.064 0.000 1.135 2048 F CA -1.254 56.840 58.000 0.157 0.000 0.915 2048 F CB 1.411 40.567 39.000 0.260 0.000 1.176 2048 F HN 0.404 nan 8.300 nan 0.000 0.440 2049 D N 2.391 122.917 120.400 0.210 0.000 2.389 2049 D HA -0.013 4.627 4.640 0.000 0.000 0.247 2049 D C 0.965 177.359 176.300 0.157 0.000 1.128 2049 D CA 0.205 54.259 54.000 0.091 0.000 0.884 2049 D CB 0.782 41.631 40.800 0.083 0.000 1.194 2049 D HN 0.415 nan 8.370 nan 0.000 0.441 2050 Y N 1.331 121.687 120.300 0.093 0.000 2.151 2050 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 2050 Y C 2.666 178.614 175.900 0.079 0.000 1.166 2050 Y CA 1.205 59.366 58.100 0.101 0.000 1.163 2050 Y CB -1.218 37.481 38.460 0.398 0.000 0.974 2050 Y HN 0.400 nan 8.280 nan 0.000 0.511 2051 S N 0.309 116.168 115.700 0.263 0.000 2.420 2051 S HA -0.255 4.215 4.470 0.000 0.000 0.237 2051 S C 1.563 176.189 174.600 0.044 0.000 1.023 2051 S CA 1.548 59.836 58.200 0.147 0.000 0.991 2051 S CB -0.654 62.620 63.200 0.124 0.000 0.792 2051 S HN 0.788 nan 8.310 nan 0.000 0.488 2052 E N 0.768 120.975 120.200 0.011 0.000 2.400 2052 E HA 0.199 4.549 4.350 0.000 0.000 0.195 2052 E C 0.302 176.655 176.600 -0.412 0.000 1.012 2052 E CA -0.208 56.142 56.400 -0.085 0.000 0.875 2052 E CB -0.312 29.427 29.700 0.065 0.000 0.859 2052 E HN 0.565 nan 8.360 nan 0.000 0.498 2053 I N 3.343 123.643 120.570 -0.451 0.000 2.471 2053 I HA 0.150 4.320 4.170 0.000 0.000 0.286 2053 I C -2.155 173.657 176.117 -0.508 0.000 1.079 2053 I CA -2.315 58.497 61.300 -0.813 0.000 1.398 2053 I CB 0.373 37.951 38.000 -0.704 0.000 1.403 2053 I HN -0.173 nan 8.210 nan 0.000 0.530 2054 P HA 0.014 nan 4.420 nan 0.000 0.265 2054 P C -0.062 177.184 177.300 -0.089 0.000 1.193 2054 P CA 0.386 63.283 63.100 -0.338 0.000 0.765 2054 P CB 0.272 31.747 31.700 -0.375 0.000 0.823 2055 N N -0.696 117.947 118.700 -0.094 0.000 2.900 2055 N HA -0.217 4.523 4.740 0.000 0.000 0.240 2055 N C -0.337 174.972 175.510 -0.336 0.000 0.953 2055 N CA 0.944 53.883 53.050 -0.185 0.000 0.950 2055 N CB -1.812 36.520 38.487 -0.257 0.000 1.102 2055 N HN 0.343 nan 8.380 nan 0.000 0.593 2056 F N 1.903 121.703 119.950 -0.250 0.000 2.396 2056 F HA 0.369 4.896 4.527 0.000 0.000 0.343 2056 F C -1.567 174.086 175.800 -0.245 0.000 1.104 2056 F CA -1.788 56.103 58.000 -0.181 0.000 1.161 2056 F CB 0.761 39.746 39.000 -0.025 0.000 1.146 2056 F HN -0.178 nan 8.300 nan 0.000 0.522 2057 P HA 0.081 nan 4.420 nan 0.000 0.270 2057 P C -1.258 175.899 177.300 -0.238 0.000 1.223 2057 P CA -0.102 62.655 63.100 -0.571 0.000 0.785 2057 P CB 0.514 31.375 31.700 -1.398 0.000 0.923 2058 E N 0.329 120.521 120.200 -0.013 0.000 2.195 2058 E HA 0.311 4.661 4.350 0.000 0.000 0.271 2058 E C -0.310 176.560 176.600 0.450 0.000 0.923 2058 E CA -0.717 55.848 56.400 0.276 0.000 0.790 2058 E CB 1.197 31.012 29.700 0.192 0.000 1.155 2058 E HN 0.332 nan 8.360 nan 0.000 0.402 2059 S N 1.055 117.113 115.700 0.598 0.000 2.559 2059 S HA -0.026 4.444 4.470 0.000 0.000 0.282 2059 S C 0.941 175.788 174.600 0.410 0.000 1.336 2059 S CA 0.048 58.590 58.200 0.570 0.000 1.037 2059 S CB 0.745 64.198 63.200 0.423 0.000 0.853 2059 S HN 0.528 nan 8.310 nan 0.000 0.523 2060 T N 1.243 116.038 114.554 0.402 0.000 2.990 2060 T HA 0.045 4.395 4.350 0.000 0.000 0.237 2060 T C 0.940 175.748 174.700 0.181 0.000 1.009 2060 T CA 0.139 62.382 62.100 0.239 0.000 1.195 2060 T CB -0.079 68.909 68.868 0.198 0.000 0.885 2060 T HN 0.491 nan 8.240 nan 0.000 0.424 2061 V N 5.414 125.441 119.914 0.188 0.000 2.539 2061 V HA 0.110 4.230 4.120 0.000 0.000 0.300 2061 V C -2.429 173.775 176.094 0.183 0.000 1.019 2061 V CA -1.616 60.768 62.300 0.140 0.000 1.160 2061 V CB 0.236 32.097 31.823 0.064 0.000 0.901 2061 V HN 0.197 nan 8.190 nan 0.000 0.481 2062 P HA 0.309 nan 4.420 nan 0.000 0.268 2062 P C 0.763 178.207 177.300 0.241 0.000 1.205 2062 P CA 1.210 64.404 63.100 0.158 0.000 0.771 2062 P CB 0.749 32.514 31.700 0.107 0.000 0.858 2063 G N 1.710 110.599 108.800 0.148 0.000 2.162 2063 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 2063 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 2063 G C 0.186 175.002 174.900 -0.140 0.000 0.976 2063 G CA 0.143 45.266 45.100 0.038 0.000 0.655 2063 G HN 0.699 nan 8.290 nan 0.000 0.533 2064 H N -0.223 118.881 119.070 0.057 0.000 2.779 2064 H HA 0.613 5.169 4.556 0.000 0.000 0.230 2064 H C 0.848 176.213 175.328 0.062 0.000 1.365 2064 H CA -0.075 56.005 56.048 0.054 0.000 1.086 2064 H CB 0.320 30.123 29.762 0.068 0.000 2.038 2064 H HN 0.666 nan 8.280 nan 0.000 0.558 2065 A N 1.140 124.026 122.820 0.110 0.000 2.545 2065 A HA 0.421 4.741 4.320 0.000 0.000 0.253 2065 A C 1.310 178.889 177.584 -0.007 0.000 1.074 2065 A CA 0.475 52.573 52.037 0.101 0.000 0.760 2065 A CB -0.235 18.809 19.000 0.073 0.000 1.005 2065 A HN 0.558 nan 8.150 nan 0.000 0.506 2066 G N 2.130 110.902 108.800 -0.047 0.000 2.667 2066 G HA2 0.479 4.439 3.960 0.000 0.000 0.250 2066 G HA3 0.479 4.439 3.960 0.000 0.000 0.250 2066 G C 0.073 174.385 174.900 -0.980 0.000 1.212 2066 G CA -0.543 44.239 45.100 -0.529 0.000 0.874 2066 G HN 0.889 nan 8.290 nan 0.000 0.561 2067 R N -0.956 118.891 120.500 -1.088 0.000 2.698 2067 R HA 0.428 4.768 4.340 0.000 0.000 0.275 2067 R C -1.678 174.451 176.300 -0.285 0.000 1.001 2067 R CA -0.950 54.798 56.100 -0.586 0.000 0.896 2067 R CB 2.106 32.274 30.300 -0.220 0.000 1.218 2067 R HN 0.366 nan 8.270 nan 0.000 0.462 2068 L N 2.348 123.632 121.223 0.101 0.000 2.287 2068 L HA 0.480 4.820 4.340 0.000 0.000 0.287 2068 L C -1.242 175.757 176.870 0.214 0.000 1.022 2068 L CA -0.496 54.519 54.840 0.291 0.000 0.814 2068 L CB 1.896 44.189 42.059 0.391 0.000 1.217 2068 L HN 0.394 nan 8.230 nan 0.000 0.420 2069 V N 5.567 125.516 119.914 0.059 0.000 2.448 2069 V HA 0.454 4.574 4.120 0.000 0.000 0.295 2069 V C -0.505 175.575 176.094 -0.023 0.000 1.025 2069 V CA -0.514 61.828 62.300 0.070 0.000 0.859 2069 V CB 1.324 33.155 31.823 0.014 0.000 0.988 2069 V HN 0.456 nan 8.190 nan 0.000 0.431 2070 F N 2.803 122.793 119.950 0.067 0.000 2.404 2070 F HA 0.872 5.399 4.527 0.000 0.000 0.339 2070 F C 0.897 176.705 175.800 0.013 0.000 1.105 2070 F CA 0.007 58.041 58.000 0.055 0.000 1.087 2070 F CB 1.898 40.964 39.000 0.109 0.000 1.143 2070 F HN 0.710 nan 8.300 nan 0.000 0.491 2071 G N 2.509 111.395 108.800 0.143 0.000 2.488 2071 G HA2 0.490 4.450 3.960 0.000 0.000 0.301 2071 G HA3 0.490 4.450 3.960 0.000 0.000 0.301 2071 G C -2.111 172.818 174.900 0.048 0.000 1.339 2071 G CA -0.849 44.299 45.100 0.081 0.000 0.803 2071 G HN 0.270 nan 8.290 nan 0.000 0.482 2072 I N 1.546 122.135 120.570 0.031 0.000 2.377 2072 I HA 0.429 4.599 4.170 0.000 0.000 0.293 2072 I C 0.810 176.933 176.117 0.010 0.000 0.987 2072 I CA -0.365 60.947 61.300 0.021 0.000 1.185 2072 I CB 1.275 39.287 38.000 0.020 0.000 1.341 2072 I HN 0.521 nan 8.210 nan 0.000 0.455 2073 L N 4.786 126.013 121.223 0.006 0.000 2.370 2073 L HA 0.191 4.531 4.340 0.000 0.000 0.191 2073 L C 0.663 177.536 176.870 0.006 0.000 1.203 2073 L CA 0.640 55.482 54.840 0.002 0.000 0.825 2073 L CB 0.267 42.324 42.059 -0.003 0.000 1.048 2073 L HN 0.637 nan 8.230 nan 0.000 0.487 2074 N N -0.196 118.510 118.700 0.010 0.000 2.757 2074 N HA 0.253 4.993 4.740 0.000 0.000 0.296 2074 N C 0.150 175.667 175.510 0.012 0.000 1.874 2074 N CA 0.546 53.603 53.050 0.011 0.000 0.885 2074 N CB 0.625 39.120 38.487 0.014 0.000 1.242 2074 N HN 0.494 nan 8.380 nan 0.000 0.488 2075 G N 1.265 110.072 108.800 0.011 0.000 2.179 2075 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 2075 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 2075 G C 0.118 175.027 174.900 0.015 0.000 0.977 2075 G CA 0.367 45.474 45.100 0.012 0.000 0.641 2075 G HN 0.639 nan 8.290 nan 0.000 0.533 2076 R N 0.596 121.105 120.500 0.016 0.000 2.534 2076 R HA 0.746 5.086 4.340 0.000 0.000 0.301 2076 R C 0.292 176.603 176.300 0.017 0.000 0.961 2076 R CA 0.094 56.205 56.100 0.017 0.000 0.871 2076 R CB 1.061 31.372 30.300 0.019 0.000 1.170 2076 R HN 0.874 nan 8.270 nan 0.000 0.446 2077 A N 3.633 126.468 122.820 0.024 0.000 2.491 2077 A HA 0.393 4.713 4.320 0.000 0.000 0.261 2077 A C -0.413 177.180 177.584 0.014 0.000 1.101 2077 A CA -0.132 51.927 52.037 0.036 0.000 0.772 2077 A CB -0.281 18.752 19.000 0.055 0.000 1.043 2077 A HN 0.797 nan 8.150 nan 0.000 0.501 2078 C N 1.008 120.307 119.300 -0.003 0.000 2.848 2078 C HA 0.780 5.240 4.460 0.000 0.000 0.317 2078 C C -0.071 174.828 174.990 -0.153 0.000 1.260 2078 C CA -0.569 58.401 59.018 -0.079 0.000 1.656 2078 C CB 1.728 29.416 27.740 -0.086 0.000 2.174 2078 C HN 0.820 nan 8.230 nan 0.000 0.479 2079 V N 2.954 122.666 119.914 -0.337 0.000 2.525 2079 V HA 0.667 4.787 4.120 0.000 0.000 0.299 2079 V C -0.921 174.867 176.094 -0.511 0.000 1.034 2079 V CA -0.153 61.773 62.300 -0.623 0.000 0.863 2079 V CB 1.416 32.673 31.823 -0.942 0.000 0.999 2079 V HN 0.930 nan 8.190 nan 0.000 0.423 2080 M N 6.570 125.966 119.600 -0.339 0.000 2.535 2080 M HA 0.598 5.078 4.480 0.000 0.000 0.314 2080 M C -0.757 175.519 176.300 -0.039 0.000 1.153 2080 M CA -0.530 54.659 55.300 -0.186 0.000 0.924 2080 M CB 2.558 35.092 32.600 -0.110 0.000 1.710 2080 M HN 0.468 nan 8.290 nan 0.000 0.451 2081 M N 2.190 121.816 119.600 0.043 0.000 2.088 2081 M HA 0.270 4.750 4.480 0.000 0.000 0.346 2081 M C -0.609 175.755 176.300 0.107 0.000 1.111 2081 M CA -0.212 55.207 55.300 0.199 0.000 1.017 2081 M CB 1.301 34.035 32.600 0.223 0.000 1.568 2081 M HN 0.549 nan 8.290 nan 0.000 0.445 2082 Q N 3.319 123.163 119.800 0.073 0.000 2.465 2082 Q HA 0.537 4.877 4.340 0.000 0.000 0.237 2082 Q C -0.459 175.531 176.000 -0.016 0.000 1.051 2082 Q CA -0.209 55.593 55.803 -0.002 0.000 0.874 2082 Q CB 0.899 29.607 28.738 -0.051 0.000 1.207 2082 Q HN 0.951 nan 8.270 nan 0.000 0.508 2083 G N 2.940 111.760 108.800 0.033 0.000 2.770 2083 G HA2 -0.108 3.852 3.960 0.000 0.000 0.686 2083 G HA3 -0.108 3.852 3.960 0.000 0.000 0.686 2083 G C -1.117 173.747 174.900 -0.061 0.000 1.180 2083 G CA -0.441 44.680 45.100 0.036 0.000 0.767 2083 G HN 0.787 nan 8.290 nan 0.000 0.646 2084 R N -0.327 120.037 120.500 -0.227 0.000 2.987 2084 R HA 0.925 5.265 4.340 0.000 0.000 0.248 2084 R C -1.168 174.651 176.300 -0.802 0.000 1.264 2084 R CA -1.173 54.551 56.100 -0.627 0.000 1.026 2084 R CB 1.009 31.050 30.300 -0.431 0.000 1.286 2084 R HN 0.517 nan 8.270 nan 0.000 0.483 2085 F N -0.012 119.666 119.950 -0.454 0.000 2.508 2085 F HA 0.538 5.065 4.527 0.000 0.000 0.325 2085 F C 0.232 175.665 175.800 -0.613 0.000 1.090 2085 F CA -0.632 56.993 58.000 -0.626 0.000 0.945 2085 F CB 1.668 40.020 39.000 -1.079 0.000 1.156 2085 F HN 0.275 nan 8.300 nan 0.000 0.463 2086 H N 2.978 122.020 119.070 -0.048 0.000 2.747 2086 H HA 0.260 4.816 4.556 0.000 0.000 0.371 2086 H C 0.866 176.110 175.328 -0.139 0.000 1.161 2086 H CA -0.673 55.246 56.048 -0.216 0.000 1.167 2086 H CB 2.630 31.867 29.762 -0.874 0.000 1.732 2086 H HN 0.804 nan 8.280 nan 0.000 0.544 2087 M N 2.357 121.971 119.600 0.023 0.000 2.149 2087 M HA -0.210 4.270 4.480 0.000 0.000 0.261 2087 M C 1.506 177.777 176.300 -0.049 0.000 1.064 2087 M CA 1.887 57.126 55.300 -0.102 0.000 1.102 2087 M CB -0.261 32.227 32.600 -0.186 0.000 1.369 2087 M HN 0.667 nan 8.290 nan 0.000 0.408 2088 Y N -0.022 120.345 120.300 0.112 0.000 2.574 2088 Y HA 0.054 4.604 4.550 0.000 0.000 0.294 2088 Y C 1.317 177.240 175.900 0.038 0.000 1.142 2088 Y CA 1.030 59.164 58.100 0.056 0.000 1.314 2088 Y CB -1.324 37.172 38.460 0.060 0.000 0.991 2088 Y HN 0.410 nan 8.280 nan 0.000 0.555 2089 E N 0.175 120.314 120.200 -0.101 0.000 2.478 2089 E HA 0.203 4.553 4.350 0.000 0.000 0.194 2089 E C 1.511 177.970 176.600 -0.235 0.000 1.045 2089 E CA 0.500 56.867 56.400 -0.055 0.000 0.868 2089 E CB -0.006 29.701 29.700 0.011 0.000 0.885 2089 E HN 0.722 nan 8.360 nan 0.000 0.505 2090 G N 0.595 109.265 108.800 -0.217 0.000 2.192 2090 G HA2 -0.226 3.734 3.960 0.000 0.000 0.193 2090 G HA3 -0.226 3.734 3.960 0.000 0.000 0.193 2090 G C -0.361 174.320 174.900 -0.364 0.000 0.999 2090 G CA -0.550 44.380 45.100 -0.283 0.000 0.659 2090 G HN 0.165 nan 8.290 nan 0.000 0.503 2091 Y N 2.487 122.634 120.300 -0.254 0.000 2.359 2091 Y HA 0.472 5.022 4.550 0.000 0.000 0.334 2091 Y C -1.268 174.351 175.900 -0.468 0.000 1.058 2091 Y CA -1.991 55.888 58.100 -0.369 0.000 1.244 2091 Y CB 0.829 39.093 38.460 -0.327 0.000 1.187 2091 Y HN 0.029 nan 8.280 nan 0.000 0.510 2092 P HA 0.027 nan 4.420 nan 0.000 0.274 2092 P C 0.279 177.286 177.300 -0.488 0.000 1.246 2092 P CA -0.170 62.601 63.100 -0.547 0.000 0.795 2092 P CB 0.840 32.145 31.700 -0.659 0.000 1.006 2093 F N -0.111 119.735 119.950 -0.173 0.000 2.269 2093 F HA -0.101 4.426 4.527 0.000 0.000 0.301 2093 F C 2.337 178.114 175.800 -0.039 0.000 1.082 2093 F CA 0.861 58.810 58.000 -0.085 0.000 1.360 2093 F CB -1.275 37.727 39.000 0.005 0.000 1.041 2093 F HN 0.483 nan 8.300 nan 0.000 0.512 2094 W N 0.407 121.824 121.300 0.194 0.000 2.525 2094 W HA -0.052 4.608 4.660 0.000 0.000 0.259 2094 W C 1.400 178.058 176.519 0.232 0.000 1.253 2094 W CA 0.689 58.150 57.345 0.193 0.000 1.262 2094 W CB -1.127 28.431 29.460 0.162 0.000 1.122 2094 W HN 0.108 nan 8.180 nan 0.000 0.607 2095 K N 0.814 121.038 120.400 -0.294 0.000 2.141 2095 K HA -0.014 4.306 4.320 0.000 0.000 0.202 2095 K C 2.221 178.678 176.600 -0.238 0.000 1.045 2095 K CA 0.871 56.987 56.287 -0.284 0.000 0.971 2095 K CB -0.292 31.803 32.500 -0.675 0.000 0.795 2095 K HN -0.104 nan 8.250 nan 0.000 0.459 2096 V N 1.950 121.747 119.914 -0.196 0.000 2.324 2096 V HA -0.261 3.859 4.120 0.000 0.000 0.250 2096 V C 2.311 178.396 176.094 -0.016 0.000 1.060 2096 V CA 2.488 64.739 62.300 -0.081 0.000 1.042 2096 V CB -0.800 31.062 31.823 0.066 0.000 0.650 2096 V HN 0.557 nan 8.190 nan 0.000 0.450 2097 T N -3.343 111.218 114.554 0.012 0.000 3.107 2097 T HA 0.000 4.350 4.350 0.000 0.000 0.249 2097 T C 1.551 176.198 174.700 -0.088 0.000 1.096 2097 T CA 0.215 62.289 62.100 -0.044 0.000 1.012 2097 T CB -0.403 68.448 68.868 -0.028 0.000 0.977 2097 T HN 0.322 nan 8.240 nan 0.000 0.527 2098 F N 3.954 123.779 119.950 -0.209 0.000 2.087 2098 F HA -0.007 4.520 4.527 0.000 0.000 0.299 2098 F C -1.086 174.425 175.800 -0.482 0.000 1.100 2098 F CA 1.054 58.858 58.000 -0.326 0.000 1.226 2098 F CB -1.258 37.388 39.000 -0.590 0.000 0.983 2098 F HN 0.194 nan 8.300 nan 0.000 0.479 2099 P HA -0.169 nan 4.420 nan 0.000 0.218 2099 P C 2.063 178.559 177.300 -1.341 0.000 1.148 2099 P CA 1.870 64.319 63.100 -1.084 0.000 0.822 2099 P CB -0.100 31.128 31.700 -0.786 0.000 0.784 2100 V N -0.128 119.328 119.914 -0.764 0.000 2.343 2100 V HA -0.252 3.868 4.120 0.000 0.000 0.247 2100 V C 2.427 178.245 176.094 -0.459 0.000 1.051 2100 V CA 1.863 63.879 62.300 -0.473 0.000 1.036 2100 V CB -0.990 30.686 31.823 -0.245 0.000 0.654 2100 V HN 0.080 nan 8.190 nan 0.000 0.451 2101 R N -0.570 119.575 120.500 -0.591 0.000 2.115 2101 R HA -0.072 4.268 4.340 0.000 0.000 0.230 2101 R C 2.223 178.250 176.300 -0.455 0.000 1.111 2101 R CA 1.064 56.733 56.100 -0.718 0.000 0.976 2101 R CB -0.400 29.125 30.300 -1.292 0.000 0.870 2101 R HN 0.407 nan 8.270 nan 0.000 0.445 2102 V N 0.633 120.217 119.914 -0.549 0.000 2.295 2102 V HA -0.241 3.879 4.120 0.000 0.000 0.246 2102 V C 1.938 177.995 176.094 -0.060 0.000 1.049 2102 V CA 1.672 63.773 62.300 -0.333 0.000 1.024 2102 V CB -0.520 31.030 31.823 -0.455 0.000 0.648 2102 V HN 0.133 nan 8.190 nan 0.000 0.447 2103 F N 0.846 120.745 119.950 -0.084 0.000 2.120 2103 F HA -0.190 4.337 4.527 0.000 0.000 0.300 2103 F C 2.561 178.351 175.800 -0.016 0.000 1.095 2103 F CA 1.864 59.845 58.000 -0.032 0.000 1.249 2103 F CB -1.171 37.791 39.000 -0.063 0.000 0.995 2103 F HN 0.122 nan 8.300 nan 0.000 0.480 2104 R N 1.079 121.656 120.500 0.129 0.000 2.091 2104 R HA -0.126 4.214 4.340 0.000 0.000 0.238 2104 R C 1.950 178.322 176.300 0.120 0.000 1.136 2104 R CA 1.482 57.639 56.100 0.095 0.000 0.959 2104 R CB -0.997 29.327 30.300 0.040 0.000 0.856 2104 R HN 0.373 nan 8.270 nan 0.000 0.437 2105 L N 0.113 121.408 121.223 0.120 0.000 2.376 2105 L HA -0.036 4.304 4.340 0.000 0.000 0.219 2105 L C 1.867 178.808 176.870 0.118 0.000 1.133 2105 L CA 0.621 55.530 54.840 0.116 0.000 0.816 2105 L CB -0.263 41.849 42.059 0.089 0.000 0.933 2105 L HN 0.230 nan 8.230 nan 0.000 0.449 2106 L N -0.526 120.790 121.223 0.154 0.000 2.492 2106 L HA 0.099 4.439 4.340 0.000 0.000 0.223 2106 L C 1.443 178.395 176.870 0.137 0.000 1.132 2106 L CA 0.736 55.680 54.840 0.174 0.000 0.850 2106 L CB -0.222 41.996 42.059 0.266 0.000 0.966 2106 L HN 0.485 nan 8.230 nan 0.000 0.454 2107 G N -0.340 108.530 108.800 0.117 0.000 2.168 2107 G HA2 -0.210 3.750 3.960 0.000 0.000 0.197 2107 G HA3 -0.210 3.750 3.960 0.000 0.000 0.197 2107 G C 0.163 175.108 174.900 0.076 0.000 0.997 2107 G CA -0.220 44.932 45.100 0.088 0.000 0.658 2107 G HN 0.024 nan 8.290 nan 0.000 0.513 2108 V N 0.705 120.671 119.914 0.086 0.000 2.740 2108 V HA 0.283 4.403 4.120 0.000 0.000 0.303 2108 V C 1.311 177.431 176.094 0.043 0.000 1.054 2108 V CA 1.300 63.630 62.300 0.049 0.000 1.106 2108 V CB 1.362 33.207 31.823 0.037 0.000 0.957 2108 V HN 0.520 nan 8.190 nan 0.000 0.486 2109 E N 1.422 121.638 120.200 0.027 0.000 2.434 2109 E HA 0.148 4.498 4.350 0.000 0.000 0.207 2109 E C 0.011 176.626 176.600 0.026 0.000 0.929 2109 E CA 0.195 56.612 56.400 0.028 0.000 1.001 2109 E CB 0.877 30.594 29.700 0.028 0.000 1.016 2109 E HN 0.707 nan 8.360 nan 0.000 0.502 2110 T N 1.352 115.918 114.554 0.021 0.000 2.886 2110 T HA 0.466 4.816 4.350 0.000 0.000 0.292 2110 T C -1.418 173.269 174.700 -0.022 0.000 1.012 2110 T CA -0.624 61.496 62.100 0.033 0.000 0.982 2110 T CB 2.075 71.002 68.868 0.099 0.000 1.018 2110 T HN -0.081 nan 8.240 nan 0.000 0.451 2111 L N 3.957 125.150 121.223 -0.050 0.000 2.333 2111 L HA 0.766 5.106 4.340 0.000 0.000 0.280 2111 L C -1.215 175.493 176.870 -0.270 0.000 1.004 2111 L CA -0.562 54.205 54.840 -0.122 0.000 0.820 2111 L CB 1.395 43.411 42.059 -0.071 0.000 1.247 2111 L HN 0.458 nan 8.230 nan 0.000 0.416 2112 V N 5.840 125.538 119.914 -0.360 0.000 2.370 2112 V HA 0.598 4.718 4.120 0.000 0.000 0.283 2112 V C -0.256 175.639 176.094 -0.331 0.000 1.023 2112 V CA -0.576 61.360 62.300 -0.607 0.000 0.857 2112 V CB 1.621 33.072 31.823 -0.621 0.000 0.985 2112 V HN 0.649 nan 8.190 nan 0.000 0.443 2113 V N 2.233 121.971 119.914 -0.294 0.000 2.555 2113 V HA 1.008 5.128 4.120 0.000 0.000 0.302 2113 V C -0.113 175.916 176.094 -0.108 0.000 1.038 2113 V CA -0.263 61.939 62.300 -0.163 0.000 0.887 2113 V CB 1.724 33.466 31.823 -0.135 0.000 0.991 2113 V HN 0.949 nan 8.190 nan 0.000 0.434 2114 T N 1.303 115.824 114.554 -0.054 0.000 2.903 2114 T HA 0.726 5.076 4.350 0.000 0.000 0.299 2114 T C -0.832 173.868 174.700 -0.001 0.000 1.093 2114 T CA -0.551 61.558 62.100 0.015 0.000 1.002 2114 T CB 2.036 70.942 68.868 0.063 0.000 1.127 2114 T HN 1.326 nan 8.240 nan 0.000 0.488 2115 N N -0.137 118.580 118.700 0.028 0.000 2.927 2115 N HA 0.537 5.277 4.740 0.000 0.000 0.248 2115 N C -1.524 174.049 175.510 0.106 0.000 1.443 2115 N CA -1.311 51.776 53.050 0.062 0.000 0.870 2115 N CB 1.758 40.264 38.487 0.032 0.000 1.444 2115 N HN 0.947 nan 8.380 nan 0.000 0.519 2116 A N 0.006 122.907 122.820 0.135 0.000 2.305 2116 A HA 0.853 5.173 4.320 0.000 0.000 0.322 2116 A C -0.484 177.194 177.584 0.157 0.000 1.187 2116 A CA -0.253 51.863 52.037 0.130 0.000 0.825 2116 A CB 0.833 19.908 19.000 0.124 0.000 1.164 2116 A HN 0.962 nan 8.150 nan 0.000 0.498 2117 A N 1.227 124.130 122.820 0.138 0.000 2.569 2117 A HA 0.858 5.178 4.320 0.000 0.000 0.290 2117 A C 0.120 177.733 177.584 0.049 0.000 1.136 2117 A CA -0.162 51.947 52.037 0.121 0.000 0.710 2117 A CB 1.159 20.295 19.000 0.227 0.000 1.303 2117 A HN 1.811 nan 8.150 nan 0.000 0.413 2118 G N -0.295 108.482 108.800 -0.038 0.000 2.338 2118 G HA2 0.522 4.482 3.960 0.000 0.000 0.298 2118 G HA3 0.522 4.482 3.960 0.000 0.000 0.298 2118 G C 0.284 175.194 174.900 0.016 0.000 1.140 2118 G CA 0.189 45.257 45.100 -0.053 0.000 0.860 2118 G HN 1.219 nan 8.290 nan 0.000 0.470 2119 G N 0.789 109.638 108.800 0.081 0.000 2.355 2119 G HA2 0.413 4.373 3.960 0.000 0.000 0.276 2119 G HA3 0.413 4.373 3.960 0.000 0.000 0.276 2119 G C 0.684 175.591 174.900 0.011 0.000 1.198 2119 G CA -0.485 44.713 45.100 0.164 0.000 0.876 2119 G HN 0.538 nan 8.290 nan 0.000 0.478 2120 L N 2.181 123.356 121.223 -0.079 0.000 2.500 2120 L HA 0.179 4.519 4.340 0.000 0.000 0.219 2120 L C 1.381 178.098 176.870 -0.254 0.000 1.057 2120 L CA -0.296 54.455 54.840 -0.148 0.000 0.854 2120 L CB -0.043 41.931 42.059 -0.140 0.000 1.078 2120 L HN 0.448 nan 8.230 nan 0.000 0.480 2121 N N 2.403 120.796 118.700 -0.512 0.000 2.440 2121 N HA -0.017 4.723 4.740 0.000 0.000 0.265 2121 N C -1.644 173.590 175.510 -0.461 0.000 1.239 2121 N CA -0.921 51.700 53.050 -0.715 0.000 0.909 2121 N CB 1.390 38.855 38.487 -1.704 0.000 1.066 2121 N HN -0.004 nan 8.380 nan 0.000 0.474 2122 P HA -0.133 nan 4.420 nan 0.000 0.221 2122 P C 0.269 177.532 177.300 -0.061 0.000 1.145 2122 P CA 1.365 64.392 63.100 -0.123 0.000 0.795 2122 P CB 0.283 31.928 31.700 -0.091 0.000 0.775 2123 N N -1.539 117.116 118.700 -0.074 0.000 2.457 2123 N HA -0.005 4.735 4.740 0.000 0.000 0.180 2123 N C 0.229 175.888 175.510 0.249 0.000 1.050 2123 N CA -0.173 52.919 53.050 0.070 0.000 0.906 2123 N CB -0.193 38.346 38.487 0.087 0.000 0.968 2123 N HN 0.028 nan 8.380 nan 0.000 0.445 2124 F N 2.120 122.067 119.950 -0.006 0.000 2.506 2124 F HA 0.170 4.697 4.527 0.000 0.000 0.351 2124 F C 0.999 176.800 175.800 0.002 0.000 1.136 2124 F CA -0.350 57.648 58.000 -0.005 0.000 1.298 2124 F CB 0.325 39.321 39.000 -0.008 0.000 1.145 2124 F HN -0.106 nan 8.300 nan 0.000 0.593 2125 E N 0.769 121.070 120.200 0.168 0.000 2.312 2125 E HA 0.333 4.683 4.350 0.000 0.000 0.267 2125 E C -0.940 175.698 176.600 0.063 0.000 0.894 2125 E CA -1.042 55.415 56.400 0.096 0.000 0.773 2125 E CB 2.424 32.164 29.700 0.066 0.000 1.241 2125 E HN 0.152 nan 8.360 nan 0.000 0.432 2126 V N 1.556 121.504 119.914 0.058 0.000 2.557 2126 V HA 0.232 4.352 4.120 0.000 0.000 0.301 2126 V C 1.451 177.564 176.094 0.032 0.000 1.026 2126 V CA 2.038 64.367 62.300 0.047 0.000 1.137 2126 V CB 0.111 31.962 31.823 0.047 0.000 0.917 2126 V HN 1.017 nan 8.190 nan 0.000 0.484 2127 G N 3.677 112.490 108.800 0.023 0.000 2.213 2127 G HA2 -0.174 3.786 3.960 0.000 0.000 0.226 2127 G HA3 -0.174 3.786 3.960 0.000 0.000 0.226 2127 G C 0.030 174.929 174.900 -0.002 0.000 0.992 2127 G CA -0.022 45.090 45.100 0.020 0.000 0.632 2127 G HN 0.638 nan 8.290 nan 0.000 0.511 2128 D N 0.309 120.677 120.400 -0.053 0.000 2.378 2128 D HA 0.451 5.091 4.640 0.000 0.000 0.238 2128 D C 0.731 176.922 176.300 -0.182 0.000 1.180 2128 D CA 0.428 54.338 54.000 -0.150 0.000 0.895 2128 D CB 0.804 41.423 40.800 -0.302 0.000 1.192 2128 D HN 0.320 nan 8.370 nan 0.000 0.438 2129 I N 1.759 122.166 120.570 -0.273 0.000 2.406 2129 I HA 0.237 4.407 4.170 0.000 0.000 0.290 2129 I C -0.025 175.907 176.117 -0.309 0.000 0.999 2129 I CA -0.478 60.688 61.300 -0.223 0.000 1.124 2129 I CB 1.631 39.498 38.000 -0.223 0.000 1.289 2129 I HN 0.078 nan 8.210 nan 0.000 0.441 2130 M N 7.615 127.118 119.600 -0.163 0.000 2.114 2130 M HA 0.375 4.855 4.480 0.000 0.000 0.332 2130 M C -1.265 175.062 176.300 0.045 0.000 1.014 2130 M CA -1.041 54.165 55.300 -0.156 0.000 0.956 2130 M CB 1.561 34.050 32.600 -0.185 0.000 1.551 2130 M HN 0.464 nan 8.290 nan 0.000 0.427 2131 L N 6.914 128.161 121.223 0.040 0.000 2.410 2131 L HA 0.343 4.683 4.340 0.000 0.000 0.273 2131 L C -0.971 175.804 176.870 -0.158 0.000 1.152 2131 L CA 0.494 55.314 54.840 -0.034 0.000 0.855 2131 L CB 0.303 42.345 42.059 -0.028 0.000 1.129 2131 L HN 0.643 nan 8.230 nan 0.000 0.463 2132 I N 6.450 126.825 120.570 -0.324 0.000 2.363 2132 I HA 0.187 4.357 4.170 0.000 0.000 0.292 2132 I C 1.224 177.023 176.117 -0.531 0.000 1.075 2132 I CA 0.086 61.127 61.300 -0.431 0.000 1.333 2132 I CB 0.480 38.096 38.000 -0.640 0.000 1.415 2132 I HN 0.774 nan 8.210 nan 0.000 0.502 2133 R N 3.189 123.486 120.500 -0.339 0.000 2.237 2133 R HA 0.114 4.454 4.340 0.000 0.000 0.195 2133 R C -0.132 176.052 176.300 -0.194 0.000 0.956 2133 R CA 0.521 56.505 56.100 -0.194 0.000 1.029 2133 R CB 0.480 30.752 30.300 -0.048 0.000 0.972 2133 R HN 0.698 nan 8.270 nan 0.000 0.493 2134 D N -1.185 119.025 120.400 -0.315 0.000 2.710 2134 D HA 0.136 4.776 4.640 0.000 0.000 0.276 2134 D C -1.625 174.644 176.300 -0.052 0.000 1.267 2134 D CA -0.465 53.467 54.000 -0.114 0.000 0.772 2134 D CB 1.209 42.002 40.800 -0.012 0.000 1.299 2134 D HN 0.287 nan 8.370 nan 0.000 0.421 2135 H N -1.005 118.147 119.070 0.137 0.000 2.977 2135 H HA 0.708 5.264 4.556 0.000 0.000 0.350 2135 H C -0.952 174.428 175.328 0.086 0.000 1.238 2135 H CA -1.014 55.118 56.048 0.140 0.000 1.124 2135 H CB 1.485 31.396 29.762 0.249 0.000 1.866 2135 H HN 0.247 nan 8.280 nan 0.000 0.550 2136 I N 1.688 122.429 120.570 0.286 0.000 2.439 2136 I HA 0.136 4.306 4.170 0.000 0.000 0.285 2136 I C -0.368 175.696 176.117 -0.089 0.000 1.021 2136 I CA -0.406 60.950 61.300 0.093 0.000 1.091 2136 I CB 1.782 39.788 38.000 0.011 0.000 1.242 2136 I HN 0.613 nan 8.210 nan 0.000 0.439 2137 N N 6.862 125.428 118.700 -0.223 0.000 2.767 2137 N HA 0.278 5.018 4.740 0.000 0.000 0.238 2137 N C 0.957 176.096 175.510 -0.618 0.000 1.083 2137 N CA -0.321 52.515 53.050 -0.358 0.000 0.964 2137 N CB 0.730 39.051 38.487 -0.276 0.000 1.252 2137 N HN 0.656 nan 8.380 nan 0.000 0.512 2138 L N 3.369 124.318 121.223 -0.456 0.000 2.046 2138 L HA -0.065 4.275 4.340 0.000 0.000 0.208 2138 L C -0.713 176.059 176.870 -0.163 0.000 1.077 2138 L CA 1.254 55.854 54.840 -0.400 0.000 0.747 2138 L CB -1.327 40.650 42.059 -0.138 0.000 0.896 2138 L HN 0.451 nan 8.230 nan 0.000 0.432 2139 P HA -0.122 nan 4.420 nan 0.000 0.217 2139 P C 1.576 178.945 177.300 0.114 0.000 1.150 2139 P CA 1.579 64.748 63.100 0.114 0.000 0.832 2139 P CB -0.163 31.709 31.700 0.287 0.000 0.787 2140 G N -1.213 107.586 108.800 -0.002 0.000 2.448 2140 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 2140 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 2140 G C 1.137 176.159 174.900 0.204 0.000 1.127 2140 G CA 0.275 45.407 45.100 0.053 0.000 0.766 2140 G HN 0.115 nan 8.290 nan 0.000 0.552 2141 F N 2.161 122.154 119.950 0.072 0.000 2.202 2141 F HA -0.055 4.472 4.527 0.000 0.000 0.301 2141 F C 2.847 178.685 175.800 0.064 0.000 1.082 2141 F CA 0.964 59.002 58.000 0.063 0.000 1.313 2141 F CB -0.620 38.412 39.000 0.054 0.000 1.024 2141 F HN 0.276 nan 8.300 nan 0.000 0.495 2142 S N -1.413 114.445 115.700 0.264 0.000 2.597 2142 S HA 0.460 4.930 4.470 0.000 0.000 0.224 2142 S C 1.587 176.276 174.600 0.149 0.000 0.955 2142 S CA 0.312 58.617 58.200 0.175 0.000 0.933 2142 S CB 0.105 63.393 63.200 0.146 0.000 0.788 2142 S HN 0.551 nan 8.310 nan 0.000 0.488 2143 G N 0.840 109.738 108.800 0.164 0.000 2.194 2143 G HA2 -0.205 3.755 3.960 0.000 0.000 0.236 2143 G HA3 -0.205 3.755 3.960 0.000 0.000 0.236 2143 G C -0.059 174.942 174.900 0.170 0.000 0.987 2143 G CA -0.265 44.923 45.100 0.147 0.000 0.635 2143 G HN 0.480 nan 8.290 nan 0.000 0.520 2144 Q N 0.803 120.727 119.800 0.208 0.000 2.381 2144 Q HA 0.415 4.755 4.340 0.000 0.000 0.243 2144 Q C -0.104 176.139 176.000 0.404 0.000 1.154 2144 Q CA 0.383 56.372 55.803 0.309 0.000 0.899 2144 Q CB 0.410 29.343 28.738 0.326 0.000 1.396 2144 Q HN 0.643 nan 8.270 nan 0.000 0.485 2145 N N 2.479 121.384 118.700 0.341 0.000 2.324 2145 N HA 0.275 5.015 4.740 0.000 0.000 0.285 2145 N C -2.118 173.517 175.510 0.209 0.000 1.076 2145 N CA -1.361 51.796 53.050 0.177 0.000 0.864 2145 N CB 1.934 40.477 38.487 0.093 0.000 1.632 2145 N HN 0.025 nan 8.380 nan 0.000 0.478 2146 P HA -0.085 nan 4.420 nan 0.000 0.225 2146 P C 0.615 177.973 177.300 0.096 0.000 1.148 2146 P CA 0.955 64.160 63.100 0.174 0.000 0.779 2146 P CB 0.365 32.102 31.700 0.061 0.000 0.780 2147 L N -1.337 119.888 121.223 0.003 0.000 2.592 2147 L HA 0.167 4.507 4.340 0.000 0.000 0.227 2147 L C 1.647 178.504 176.870 -0.021 0.000 1.127 2147 L CA -0.349 54.440 54.840 -0.084 0.000 0.884 2147 L CB -0.364 41.582 42.059 -0.187 0.000 1.065 2147 L HN -0.100 nan 8.230 nan 0.000 0.457 2148 R N 1.204 121.736 120.500 0.053 0.000 2.570 2148 R HA 0.349 4.689 4.340 0.000 0.000 0.277 2148 R C 0.257 176.574 176.300 0.029 0.000 1.039 2148 R CA 1.021 57.155 56.100 0.057 0.000 1.065 2148 R CB 0.288 30.651 30.300 0.105 0.000 0.964 2148 R HN 0.224 nan 8.270 nan 0.000 0.428 2149 G N 4.031 112.835 108.800 0.006 0.000 2.408 2149 G HA2 -0.131 3.829 3.960 0.000 0.000 0.682 2149 G HA3 -0.131 3.829 3.960 0.000 0.000 0.682 2149 G C -2.754 172.134 174.900 -0.021 0.000 1.303 2149 G CA -0.821 44.271 45.100 -0.014 0.000 0.966 2149 G HN 0.593 nan 8.290 nan 0.000 0.560 2150 P HA 0.248 nan 4.420 nan 0.000 0.268 2150 P C -0.173 177.118 177.300 -0.014 0.000 1.205 2150 P CA -0.203 62.884 63.100 -0.023 0.000 0.771 2150 P CB 0.668 32.358 31.700 -0.017 0.000 0.858 2151 N N 1.730 120.410 118.700 -0.032 0.000 2.513 2151 N HA 0.040 4.780 4.740 0.000 0.000 0.268 2151 N C -0.284 175.250 175.510 0.040 0.000 1.180 2151 N CA -0.065 52.983 53.050 -0.002 0.000 0.948 2151 N CB 0.357 38.822 38.487 -0.038 0.000 1.083 2151 N HN 0.290 nan 8.380 nan 0.000 0.455 2152 E N 2.391 122.664 120.200 0.122 0.000 2.028 2152 E HA 0.113 4.463 4.350 0.000 0.000 0.266 2152 E C 0.084 176.718 176.600 0.056 0.000 0.962 2152 E CA -0.235 56.220 56.400 0.092 0.000 0.784 2152 E CB 0.232 30.070 29.700 0.230 0.000 1.114 2152 E HN 0.474 nan 8.360 nan 0.000 0.414 2153 E N 3.583 123.754 120.200 -0.048 0.000 2.209 2153 E HA -0.197 4.153 4.350 0.000 0.000 0.196 2153 E C 1.039 177.554 176.600 -0.143 0.000 0.993 2153 E CA 0.771 57.126 56.400 -0.075 0.000 0.819 2153 E CB 0.015 29.661 29.700 -0.091 0.000 0.745 2153 E HN 0.504 nan 8.360 nan 0.000 0.477 2154 R N -0.668 119.658 120.500 -0.289 0.000 2.285 2154 R HA -0.045 4.295 4.340 0.000 0.000 0.213 2154 R C 1.510 177.634 176.300 -0.294 0.000 1.068 2154 R CA 0.642 56.501 56.100 -0.402 0.000 1.004 2154 R CB -0.014 29.775 30.300 -0.852 0.000 0.873 2154 R HN 0.104 nan 8.270 nan 0.000 0.467 2155 F N -1.324 118.590 119.950 -0.060 0.000 2.419 2155 F HA 0.353 4.880 4.527 0.000 0.000 0.283 2155 F C 1.378 176.998 175.800 -0.301 0.000 1.044 2155 F CA 0.609 58.561 58.000 -0.080 0.000 1.376 2155 F CB 0.142 39.160 39.000 0.029 0.000 1.131 2155 F HN -0.015 nan 8.300 nan 0.000 0.585 2156 G N -0.746 107.903 108.800 -0.253 0.000 2.489 2156 G HA2 0.462 4.422 3.960 0.000 0.000 0.305 2156 G HA3 0.462 4.422 3.960 0.000 0.000 0.305 2156 G C -1.499 173.237 174.900 -0.273 0.000 1.311 2156 G CA -0.154 44.578 45.100 -0.614 0.000 0.813 2156 G HN 0.150 nan 8.290 nan 0.000 0.480 2157 V N -1.313 118.499 119.914 -0.170 0.000 3.083 2157 V HA 0.660 4.780 4.120 0.000 0.000 0.306 2157 V C 1.852 178.003 176.094 0.094 0.000 1.077 2157 V CA 0.196 62.498 62.300 0.003 0.000 1.073 2157 V CB 1.426 33.260 31.823 0.020 0.000 1.081 2157 V HN 0.932 nan 8.190 nan 0.000 0.474 2158 R N 1.827 122.285 120.500 -0.068 0.000 2.073 2158 R HA 0.049 4.389 4.340 0.000 0.000 0.234 2158 R C 0.467 176.505 176.300 -0.436 0.000 1.134 2158 R CA 1.653 57.551 56.100 -0.337 0.000 0.952 2158 R CB -0.757 29.150 30.300 -0.655 0.000 0.850 2158 R HN 0.726 nan 8.270 nan 0.000 0.433 2159 F N 3.146 123.149 119.950 0.088 0.000 2.371 2159 F HA 0.420 4.947 4.527 0.000 0.000 0.343 2159 F C -1.914 173.933 175.800 0.079 0.000 1.150 2159 F CA -2.909 55.135 58.000 0.073 0.000 1.220 2159 F CB 0.763 39.793 39.000 0.050 0.000 1.475 2159 F HN 0.016 nan 8.300 nan 0.000 0.521 2160 P HA 0.283 nan 4.420 nan 0.000 0.271 2160 P C -0.354 177.027 177.300 0.134 0.000 1.216 2160 P CA -0.133 63.071 63.100 0.174 0.000 0.771 2160 P CB 1.446 33.275 31.700 0.214 0.000 0.864 2161 A N 3.804 126.679 122.820 0.091 0.000 2.371 2161 A HA 0.418 4.738 4.320 0.000 0.000 0.257 2161 A C 0.914 178.518 177.584 0.035 0.000 1.089 2161 A CA -0.215 51.859 52.037 0.061 0.000 0.794 2161 A CB 0.095 19.119 19.000 0.040 0.000 1.029 2161 A HN 0.537 nan 8.150 nan 0.000 0.488 2162 M N 1.674 121.288 119.600 0.022 0.000 2.300 2162 M HA 0.028 4.508 4.480 0.000 0.000 0.313 2162 M C 1.744 178.013 176.300 -0.051 0.000 0.988 2162 M CA 0.774 56.061 55.300 -0.022 0.000 1.012 2162 M CB -0.583 32.019 32.600 0.004 0.000 1.586 2162 M HN 0.924 nan 8.290 nan 0.000 0.562 2163 S N 0.988 116.679 115.700 -0.015 0.000 2.442 2163 S HA -0.099 4.371 4.470 0.000 0.000 0.236 2163 S C 0.875 175.469 174.600 -0.010 0.000 1.007 2163 S CA 1.420 59.615 58.200 -0.009 0.000 0.965 2163 S CB -0.468 62.737 63.200 0.007 0.000 0.773 2163 S HN 0.522 nan 8.310 nan 0.000 0.504 2164 D N 0.287 120.674 120.400 -0.023 0.000 2.670 2164 D HA 0.508 5.148 4.640 0.000 0.000 0.255 2164 D C 1.199 177.462 176.300 -0.061 0.000 1.286 2164 D CA 0.188 54.177 54.000 -0.019 0.000 0.830 2164 D CB 0.097 40.891 40.800 -0.010 0.000 1.065 2164 D HN 0.314 nan 8.370 nan 0.000 0.486 2165 A N 0.019 122.759 122.820 -0.133 0.000 1.908 2165 A HA -0.136 4.184 4.320 0.000 0.000 0.218 2165 A C 0.330 177.644 177.584 -0.451 0.000 1.181 2165 A CA 0.788 52.631 52.037 -0.322 0.000 0.627 2165 A CB -0.764 17.937 19.000 -0.498 0.000 0.818 2165 A HN 0.329 nan 8.150 nan 0.000 0.445 2166 Y N 0.725 120.997 120.300 -0.046 0.000 2.454 2166 Y HA 0.363 4.913 4.550 0.000 0.000 0.345 2166 Y C 0.061 175.954 175.900 -0.010 0.000 0.970 2166 Y CA -1.494 56.591 58.100 -0.025 0.000 1.204 2166 Y CB 0.007 38.439 38.460 -0.046 0.000 1.122 2166 Y HN 0.273 nan 8.280 nan 0.000 0.514 2167 D N 2.832 123.282 120.400 0.083 0.000 2.793 2167 D HA -0.133 4.507 4.640 0.000 0.000 0.230 2167 D C 1.539 177.862 176.300 0.038 0.000 1.139 2167 D CA 0.579 54.606 54.000 0.046 0.000 0.838 2167 D CB 0.722 41.545 40.800 0.038 0.000 1.149 2167 D HN 0.612 nan 8.370 nan 0.000 0.526 2168 R N 3.053 123.569 120.500 0.027 0.000 2.096 2168 R HA -0.170 4.170 4.340 0.000 0.000 0.235 2168 R C 0.792 177.097 176.300 0.008 0.000 1.127 2168 R CA 1.488 57.603 56.100 0.024 0.000 0.968 2168 R CB 0.084 30.396 30.300 0.020 0.000 0.861 2168 R HN 0.536 nan 8.270 nan 0.000 0.440 2169 D N 0.307 120.700 120.400 -0.012 0.000 2.097 2169 D HA -0.144 4.496 4.640 0.000 0.000 0.197 2169 D C 1.918 178.179 176.300 -0.065 0.000 0.984 2169 D CA 1.074 55.057 54.000 -0.028 0.000 0.826 2169 D CB -0.114 40.666 40.800 -0.034 0.000 0.973 2169 D HN 0.190 nan 8.370 nan 0.000 0.460 2170 M N 0.347 119.868 119.600 -0.132 0.000 2.267 2170 M HA -0.107 4.373 4.480 0.000 0.000 0.263 2170 M C 2.071 178.271 176.300 -0.167 0.000 1.063 2170 M CA 0.891 56.016 55.300 -0.292 0.000 1.090 2170 M CB -0.844 31.405 32.600 -0.585 0.000 1.392 2170 M HN 0.033 nan 8.290 nan 0.000 0.422 2171 R N 0.314 120.786 120.500 -0.045 0.000 2.073 2171 R HA -0.186 4.154 4.340 0.000 0.000 0.234 2171 R C 2.136 178.528 176.300 0.153 0.000 1.134 2171 R CA 1.752 57.886 56.100 0.058 0.000 0.952 2171 R CB -0.069 30.282 30.300 0.085 0.000 0.850 2171 R HN 0.483 nan 8.270 nan 0.000 0.433 2172 Q N -0.097 119.765 119.800 0.104 0.000 2.084 2172 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 2172 Q C 2.076 178.156 176.000 0.134 0.000 0.978 2172 Q CA 1.315 57.193 55.803 0.125 0.000 0.844 2172 Q CB 0.031 28.804 28.738 0.059 0.000 0.898 2172 Q HN 0.152 nan 8.270 nan 0.000 0.426 2173 K N 0.600 121.035 120.400 0.058 0.000 2.097 2173 K HA -0.086 4.234 4.320 0.000 0.000 0.206 2173 K C 2.055 178.729 176.600 0.122 0.000 1.049 2173 K CA 1.208 57.524 56.287 0.049 0.000 0.933 2173 K CB -0.495 31.976 32.500 -0.048 0.000 0.717 2173 K HN 0.195 nan 8.250 nan 0.000 0.442 2174 A N 1.575 124.468 122.820 0.121 0.000 1.908 2174 A HA -0.209 4.111 4.320 0.000 0.000 0.218 2174 A C 2.053 179.868 177.584 0.386 0.000 1.181 2174 A CA 1.479 53.684 52.037 0.280 0.000 0.627 2174 A CB -0.690 18.483 19.000 0.288 0.000 0.818 2174 A HN 0.324 nan 8.150 nan 0.000 0.445 2175 H N -0.361 118.876 119.070 0.277 0.000 2.389 2175 H HA -0.039 4.517 4.556 0.000 0.000 0.299 2175 H C 2.573 178.046 175.328 0.241 0.000 1.081 2175 H CA 1.594 57.783 56.048 0.234 0.000 1.345 2175 H CB -0.115 29.725 29.762 0.129 0.000 1.393 2175 H HN 0.502 nan 8.280 nan 0.000 0.520 2176 S N -0.065 115.815 115.700 0.299 0.000 2.348 2176 S HA -0.121 4.349 4.470 0.000 0.000 0.221 2176 S C 2.277 177.002 174.600 0.208 0.000 1.033 2176 S CA 1.645 59.969 58.200 0.206 0.000 1.010 2176 S CB -0.337 62.947 63.200 0.139 0.000 0.891 2176 S HN 0.453 nan 8.310 nan 0.000 0.442 2177 T N 1.424 116.132 114.554 0.257 0.000 2.759 2177 T HA -0.143 4.207 4.350 0.000 0.000 0.269 2177 T C 1.333 176.190 174.700 0.262 0.000 1.042 2177 T CA 1.031 63.294 62.100 0.272 0.000 1.140 2177 T CB -0.326 68.761 68.868 0.365 0.000 0.864 2177 T HN 0.573 nan 8.240 nan 0.000 0.455 2178 W N 2.358 123.722 121.300 0.106 0.000 2.338 2178 W HA -0.127 4.533 4.660 0.000 0.000 0.304 2178 W C 1.810 178.266 176.519 -0.105 0.000 1.212 2178 W CA 1.202 58.428 57.345 -0.199 0.000 1.264 2178 W CB -0.197 29.084 29.460 -0.299 0.000 1.142 2178 W HN 0.266 nan 8.180 nan 0.000 0.512 2179 K N 0.081 120.553 120.400 0.120 0.000 2.147 2179 K HA -0.201 4.119 4.320 0.000 0.000 0.205 2179 K C 2.054 178.610 176.600 -0.073 0.000 1.049 2179 K CA 1.522 57.824 56.287 0.024 0.000 0.936 2179 K CB -0.413 32.152 32.500 0.108 0.000 0.722 2179 K HN 0.307 nan 8.250 nan 0.000 0.446 2180 Q N 0.122 119.899 119.800 -0.039 0.000 2.224 2180 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 2180 Q C 1.888 177.812 176.000 -0.127 0.000 0.970 2180 Q CA 1.099 56.871 55.803 -0.051 0.000 0.865 2180 Q CB -0.051 28.686 28.738 -0.001 0.000 0.922 2180 Q HN 0.385 nan 8.270 nan 0.000 0.445 2181 M N -0.525 118.931 119.600 -0.240 0.000 2.492 2181 M HA 0.052 4.532 4.480 0.000 0.000 0.262 2181 M C 0.753 176.831 176.300 -0.369 0.000 1.090 2181 M CA 0.603 55.698 55.300 -0.341 0.000 1.110 2181 M CB 0.130 32.394 32.600 -0.559 0.000 1.407 2181 M HN 0.261 nan 8.290 nan 0.000 0.470 2182 G N 2.784 111.375 108.800 -0.348 0.000 2.354 2182 G HA2 -0.184 3.776 3.960 0.000 0.000 0.278 2182 G HA3 -0.184 3.776 3.960 0.000 0.000 0.278 2182 G C -0.482 174.232 174.900 -0.310 0.000 0.953 2182 G CA -0.087 44.855 45.100 -0.263 0.000 1.346 2182 G HN 0.399 nan 8.290 nan 0.000 0.467 2183 E N 0.188 120.128 120.200 -0.432 0.000 2.250 2183 E HA 0.313 4.663 4.350 0.000 0.000 0.269 2183 E C 1.052 177.591 176.600 -0.101 0.000 1.018 2183 E CA -0.931 55.265 56.400 -0.339 0.000 0.873 2183 E CB 0.908 30.267 29.700 -0.569 0.000 1.134 2183 E HN 0.305 nan 8.360 nan 0.000 0.403 2184 Q N 0.414 120.189 119.800 -0.041 0.000 2.297 2184 Q HA -0.036 4.304 4.340 0.000 0.000 0.204 2184 Q C 0.469 176.511 176.000 0.070 0.000 0.962 2184 Q CA 0.811 56.621 55.803 0.011 0.000 0.879 2184 Q CB 0.195 28.936 28.738 0.004 0.000 0.947 2184 Q HN 0.219 nan 8.270 nan 0.000 0.462 2185 R N 0.774 121.355 120.500 0.134 0.000 2.604 2185 R HA 0.216 4.556 4.340 0.000 0.000 0.287 2185 R C -0.591 175.911 176.300 0.336 0.000 0.970 2185 R CA -0.257 55.952 56.100 0.182 0.000 0.946 2185 R CB 0.954 31.345 30.300 0.152 0.000 1.127 2185 R HN -0.091 nan 8.270 nan 0.000 0.473 2186 E N 2.166 122.479 120.200 0.188 0.000 2.392 2186 E HA 0.085 4.435 4.350 0.000 0.000 0.256 2186 E C -0.489 175.941 176.600 -0.284 0.000 1.145 2186 E CA -0.503 55.979 56.400 0.137 0.000 0.929 2186 E CB 0.722 30.461 29.700 0.064 0.000 0.998 2186 E HN 0.380 nan 8.360 nan 0.000 0.442 2187 L N 2.954 123.727 121.223 -0.750 0.000 2.315 2187 L HA 0.046 4.386 4.340 0.000 0.000 0.283 2187 L C -0.087 176.476 176.870 -0.511 0.000 1.089 2187 L CA -0.458 53.630 54.840 -1.254 0.000 0.833 2187 L CB 0.405 41.667 42.059 -1.327 0.000 1.170 2187 L HN 0.449 nan 8.230 nan 0.000 0.442 2188 Q N 4.416 123.928 119.800 -0.479 0.000 2.382 2188 Q HA 0.300 4.640 4.340 0.000 0.000 0.229 2188 Q C -0.637 175.279 176.000 -0.141 0.000 1.006 2188 Q CA 0.008 55.645 55.803 -0.277 0.000 0.916 2188 Q CB 1.539 29.907 28.738 -0.617 0.000 1.235 2188 Q HN 0.630 nan 8.270 nan 0.000 0.512 2189 E N -1.242 118.982 120.200 0.040 0.000 2.352 2189 E HA 0.614 4.964 4.350 0.000 0.000 0.280 2189 E C -1.148 175.540 176.600 0.147 0.000 0.930 2189 E CA -0.399 56.048 56.400 0.079 0.000 0.765 2189 E CB 1.569 31.352 29.700 0.138 0.000 1.219 2189 E HN 0.704 nan 8.360 nan 0.000 0.434 2190 G N 1.107 109.960 108.800 0.089 0.000 2.323 2190 G HA2 0.202 4.162 3.960 0.000 0.000 0.291 2190 G HA3 0.202 4.162 3.960 0.000 0.000 0.291 2190 G C -1.271 173.647 174.900 0.031 0.000 1.278 2190 G CA -0.560 44.594 45.100 0.090 0.000 0.860 2190 G HN 0.386 nan 8.290 nan 0.000 0.504 2191 T N 0.677 115.257 114.554 0.043 0.000 2.806 2191 T HA 0.496 4.846 4.350 0.000 0.000 0.290 2191 T C -1.026 173.731 174.700 0.094 0.000 0.966 2191 T CA 0.134 62.258 62.100 0.040 0.000 1.060 2191 T CB 1.073 69.960 68.868 0.032 0.000 0.927 2191 T HN 0.529 nan 8.240 nan 0.000 0.485 2192 Y N 3.818 124.104 120.300 -0.023 0.000 2.330 2192 Y HA 0.594 5.144 4.550 0.000 0.000 0.336 2192 Y C -0.534 175.377 175.900 0.018 0.000 1.036 2192 Y CA -0.883 57.216 58.100 -0.002 0.000 1.125 2192 Y CB 0.929 39.375 38.460 -0.023 0.000 1.194 2192 Y HN 0.436 nan 8.280 nan 0.000 0.469 2193 V N 8.848 128.506 119.914 -0.426 0.000 2.459 2193 V HA 0.462 4.582 4.120 0.000 0.000 0.295 2193 V C -0.833 174.954 176.094 -0.512 0.000 1.029 2193 V CA -0.816 61.299 62.300 -0.307 0.000 0.874 2193 V CB 1.410 33.116 31.823 -0.195 0.000 0.985 2193 V HN 0.957 nan 8.190 nan 0.000 0.438 2194 M N 7.391 126.852 119.600 -0.231 0.000 2.404 2194 M HA 0.650 5.130 4.480 0.000 0.000 0.338 2194 M C -1.753 174.506 176.300 -0.070 0.000 1.150 2194 M CA -0.595 54.635 55.300 -0.116 0.000 1.016 2194 M CB 1.535 34.181 32.600 0.076 0.000 1.672 2194 M HN 0.707 nan 8.290 nan 0.000 0.448 2195 L N 2.533 123.745 121.223 -0.018 0.000 2.359 2195 L HA 0.782 5.122 4.340 0.000 0.000 0.256 2195 L C 0.676 177.609 176.870 0.105 0.000 1.026 2195 L CA -0.617 54.236 54.840 0.022 0.000 0.828 2195 L CB 0.153 42.201 42.059 -0.018 0.000 1.406 2195 L HN 0.713 nan 8.230 nan 0.000 0.413 2196 G N -0.558 108.314 108.800 0.119 0.000 2.433 2196 G HA2 0.355 4.315 3.960 0.000 0.000 0.216 2196 G HA3 0.355 4.315 3.960 0.000 0.000 0.216 2196 G C 0.773 175.796 174.900 0.204 0.000 1.186 2196 G CA 0.978 46.177 45.100 0.165 0.000 0.779 2196 G HN 1.509 nan 8.290 nan 0.000 0.543 2197 G N -0.031 108.840 108.800 0.118 0.000 2.681 2197 G HA2 -0.115 3.845 3.960 0.000 0.000 0.220 2197 G HA3 -0.115 3.845 3.960 0.000 0.000 0.220 2197 G C -0.978 173.959 174.900 0.062 0.000 1.353 2197 G CA 0.243 45.384 45.100 0.067 0.000 0.872 2197 G HN 0.460 nan 8.290 nan 0.000 0.557 2198 P HA 0.081 nan 4.420 nan 0.000 0.245 2198 P C 0.653 177.900 177.300 -0.088 0.000 1.206 2198 P CA 0.806 63.737 63.100 -0.281 0.000 0.781 2198 P CB -0.369 31.078 31.700 -0.422 0.000 0.994 2199 N N -0.239 118.461 118.700 0.001 0.000 2.444 2199 N HA 0.078 4.818 4.740 0.000 0.000 0.255 2199 N C -0.373 175.283 175.510 0.243 0.000 1.255 2199 N CA -0.373 52.715 53.050 0.064 0.000 0.933 2199 N CB 0.050 38.559 38.487 0.037 0.000 1.143 2199 N HN -0.257 nan 8.380 nan 0.000 0.453 2200 F N 0.050 119.958 119.950 -0.070 0.000 2.368 2200 F HA 0.316 4.843 4.527 0.000 0.000 0.315 2200 F C 0.843 176.620 175.800 -0.039 0.000 1.145 2200 F CA -1.069 56.897 58.000 -0.056 0.000 1.095 2200 F CB 0.387 39.356 39.000 -0.051 0.000 1.286 2200 F HN 0.498 nan 8.300 nan 0.000 0.530 2201 E N -0.264 119.983 120.200 0.078 0.000 2.383 2201 E HA 0.237 4.587 4.350 0.000 0.000 0.264 2201 E C 0.105 176.727 176.600 0.037 0.000 1.050 2201 E CA -0.194 56.219 56.400 0.021 0.000 0.896 2201 E CB 0.209 29.881 29.700 -0.048 0.000 0.982 2201 E HN 0.556 nan 8.360 nan 0.000 0.424 2202 T N -1.793 112.777 114.554 0.027 0.000 2.816 2202 T HA 0.145 4.495 4.350 0.000 0.000 0.282 2202 T C 1.242 175.933 174.700 -0.014 0.000 0.993 2202 T CA -0.806 61.313 62.100 0.033 0.000 0.994 2202 T CB 0.736 69.638 68.868 0.056 0.000 1.025 2202 T HN 0.126 nan 8.240 nan 0.000 0.529 2203 V N 1.427 121.308 119.914 -0.054 0.000 2.343 2203 V HA -0.112 4.008 4.120 0.000 0.000 0.247 2203 V C 3.089 179.102 176.094 -0.135 0.000 1.051 2203 V CA 2.270 64.450 62.300 -0.201 0.000 1.036 2203 V CB -1.621 29.840 31.823 -0.603 0.000 0.654 2203 V HN 1.074 nan 8.190 nan 0.000 0.451 2204 A N -0.407 122.400 122.820 -0.023 0.000 1.933 2204 A HA -0.235 4.085 4.320 0.000 0.000 0.218 2204 A C 2.161 179.744 177.584 -0.002 0.000 1.175 2204 A CA 1.840 53.890 52.037 0.021 0.000 0.628 2204 A CB -0.411 18.641 19.000 0.086 0.000 0.814 2204 A HN 0.642 nan 8.150 nan 0.000 0.444 2205 E N -0.896 119.301 120.200 -0.004 0.000 2.072 2205 E HA -0.151 4.199 4.350 0.000 0.000 0.191 2205 E C 2.045 178.623 176.600 -0.037 0.000 0.985 2205 E CA 1.170 57.563 56.400 -0.012 0.000 0.801 2205 E CB -0.343 29.353 29.700 -0.007 0.000 0.750 2205 E HN 0.676 nan 8.360 nan 0.000 0.452 2206 C N 0.655 119.921 119.300 -0.056 0.000 2.429 2206 C HA -0.078 4.382 4.460 0.000 0.000 0.277 2206 C C 2.577 177.524 174.990 -0.072 0.000 1.262 2206 C CA 0.548 59.521 59.018 -0.075 0.000 1.733 2206 C CB -0.827 26.860 27.740 -0.087 0.000 2.010 2206 C HN 0.385 nan 8.230 nan 0.000 0.483 2207 R N 0.454 120.913 120.500 -0.069 0.000 2.081 2207 R HA -0.121 4.219 4.340 0.000 0.000 0.235 2207 R C 2.257 178.533 176.300 -0.039 0.000 1.131 2207 R CA 1.292 57.357 56.100 -0.058 0.000 0.960 2207 R CB -0.590 29.678 30.300 -0.053 0.000 0.856 2207 R HN 0.574 nan 8.270 nan 0.000 0.436 2208 L N 1.051 122.258 121.223 -0.026 0.000 2.012 2208 L HA -0.203 4.137 4.340 0.000 0.000 0.210 2208 L C 2.043 178.903 176.870 -0.016 0.000 1.073 2208 L CA 1.535 56.368 54.840 -0.011 0.000 0.748 2208 L CB -0.190 41.870 42.059 0.001 0.000 0.891 2208 L HN 0.204 nan 8.230 nan 0.000 0.431 2209 L N -0.311 120.893 121.223 -0.032 0.000 2.046 2209 L HA -0.210 4.130 4.340 0.000 0.000 0.208 2209 L C 2.826 179.666 176.870 -0.050 0.000 1.077 2209 L CA 1.113 55.928 54.840 -0.042 0.000 0.747 2209 L CB -0.569 41.448 42.059 -0.070 0.000 0.896 2209 L HN 0.295 nan 8.230 nan 0.000 0.432 2210 R N 0.877 121.340 120.500 -0.062 0.000 2.081 2210 R HA -0.131 4.209 4.340 0.000 0.000 0.235 2210 R C 1.865 178.134 176.300 -0.051 0.000 1.131 2210 R CA 1.548 57.605 56.100 -0.072 0.000 0.960 2210 R CB -0.547 29.703 30.300 -0.084 0.000 0.856 2210 R HN 0.303 nan 8.270 nan 0.000 0.436 2211 N N 0.047 118.726 118.700 -0.035 0.000 2.512 2211 N HA -0.087 4.653 4.740 0.000 0.000 0.183 2211 N C 0.905 176.410 175.510 -0.008 0.000 1.073 2211 N CA 0.554 53.592 53.050 -0.021 0.000 0.911 2211 N CB -0.029 38.450 38.487 -0.014 0.000 0.964 2211 N HN 0.165 nan 8.380 nan 0.000 0.447 2212 L N -0.310 120.910 121.223 -0.004 0.000 2.478 2212 L HA 0.155 4.495 4.340 0.000 0.000 0.223 2212 L C 1.420 178.299 176.870 0.014 0.000 1.140 2212 L CA 0.697 55.549 54.840 0.019 0.000 0.842 2212 L CB -0.529 41.549 42.059 0.030 0.000 0.953 2212 L HN 0.317 nan 8.230 nan 0.000 0.452 2213 G N -1.846 106.948 108.800 -0.010 0.000 2.159 2213 G HA2 -0.168 3.792 3.960 0.000 0.000 0.227 2213 G HA3 -0.168 3.792 3.960 0.000 0.000 0.227 2213 G C 0.476 175.361 174.900 -0.025 0.000 0.986 2213 G CA -0.006 45.085 45.100 -0.015 0.000 0.651 2213 G HN 0.642 nan 8.290 nan 0.000 0.523 2214 A N -0.074 122.723 122.820 -0.038 0.000 2.388 2214 A HA 0.633 4.953 4.320 0.000 0.000 0.257 2214 A C 0.949 178.482 177.584 -0.085 0.000 1.095 2214 A CA 0.606 52.612 52.037 -0.053 0.000 0.791 2214 A CB 0.461 19.416 19.000 -0.075 0.000 1.029 2214 A HN 0.169 nan 8.150 nan 0.000 0.489 2215 D N 0.205 120.568 120.400 -0.061 0.000 2.422 2215 D HA 0.342 4.982 4.640 0.000 0.000 0.218 2215 D C 0.444 176.739 176.300 -0.008 0.000 1.047 2215 D CA 1.322 55.259 54.000 -0.105 0.000 0.885 2215 D CB 0.673 41.475 40.800 0.004 0.000 1.035 2215 D HN 0.683 nan 8.370 nan 0.000 0.502 2216 A N 0.602 123.442 122.820 0.033 0.000 2.572 2216 A HA 0.572 4.892 4.320 0.000 0.000 0.295 2216 A C -1.457 176.008 177.584 -0.199 0.000 1.072 2216 A CA -0.561 51.499 52.037 0.038 0.000 0.691 2216 A CB 2.404 21.531 19.000 0.212 0.000 1.291 2216 A HN -0.068 nan 8.150 nan 0.000 0.404 2217 V N 0.881 120.648 119.914 -0.246 0.000 2.735 2217 V HA 0.947 5.067 4.120 0.000 0.000 0.310 2217 V C 0.171 176.035 176.094 -0.384 0.000 1.061 2217 V CA 0.707 62.757 62.300 -0.418 0.000 0.913 2217 V CB 1.812 33.462 31.823 -0.289 0.000 1.005 2217 V HN 1.918 nan 8.190 nan 0.000 0.428 2218 G N 4.386 112.897 108.800 -0.480 0.000 2.721 2218 G HA2 0.522 4.482 3.960 0.000 0.000 0.296 2218 G HA3 0.522 4.482 3.960 0.000 0.000 0.296 2218 G C -0.848 174.082 174.900 0.050 0.000 1.383 2218 G CA -0.625 44.432 45.100 -0.071 0.000 0.788 2218 G HN 0.683 nan 8.290 nan 0.000 0.500 2219 M N 1.282 121.032 119.600 0.251 0.000 2.692 2219 M HA 0.344 4.824 4.480 0.000 0.000 0.372 2219 M C 0.423 176.984 176.300 0.435 0.000 1.192 2219 M CA -0.308 55.190 55.300 0.330 0.000 0.928 2219 M CB 0.841 33.691 32.600 0.417 0.000 1.366 2219 M HN 0.605 nan 8.290 nan 0.000 0.517 2220 S N -2.796 113.141 115.700 0.396 0.000 3.287 2220 S HA 0.606 5.076 4.470 0.000 0.000 0.324 2220 S C 0.635 175.301 174.600 0.110 0.000 1.205 2220 S CA 0.252 58.601 58.200 0.247 0.000 1.020 2220 S CB 1.396 64.717 63.200 0.202 0.000 1.398 2220 S HN 0.211 nan 8.310 nan 0.000 0.679 2221 T N 0.290 114.818 114.554 -0.043 0.000 12.001 2221 T HA -0.271 4.079 4.350 0.000 0.000 0.418 2221 T C 1.386 175.993 174.700 -0.155 0.000 1.451 2221 T CA 1.882 63.891 62.100 -0.150 0.000 2.406 2221 T CB -2.156 66.503 68.868 -0.347 0.000 2.860 2221 T HN 0.927 nan 8.240 nan 0.000 0.883 2222 V N 2.630 122.449 119.914 -0.159 0.000 2.332 2222 V HA -0.158 3.962 4.120 0.000 0.000 0.248 2222 V C -0.244 175.653 176.094 -0.328 0.000 1.055 2222 V CA 2.732 64.844 62.300 -0.313 0.000 1.038 2222 V CB -1.449 30.125 31.823 -0.416 0.000 0.651 2222 V HN 0.450 nan 8.190 nan 0.000 0.450 2223 P HA -0.113 nan 4.420 nan 0.000 0.216 2223 P C 1.485 178.645 177.300 -0.234 0.000 1.153 2223 P CA 1.218 64.057 63.100 -0.434 0.000 0.848 2223 P CB 0.026 31.372 31.700 -0.590 0.000 0.787 2224 E N -0.767 119.328 120.200 -0.174 0.000 2.106 2224 E HA -0.105 4.245 4.350 0.000 0.000 0.192 2224 E C 1.986 178.514 176.600 -0.120 0.000 0.984 2224 E CA 0.857 57.178 56.400 -0.131 0.000 0.806 2224 E CB -1.051 28.583 29.700 -0.110 0.000 0.750 2224 E HN 0.002 nan 8.360 nan 0.000 0.458 2225 V N 0.879 120.723 119.914 -0.117 0.000 2.358 2225 V HA -0.235 3.885 4.120 0.000 0.000 0.246 2225 V C 2.122 178.162 176.094 -0.090 0.000 1.047 2225 V CA 1.459 63.692 62.300 -0.110 0.000 1.035 2225 V CB -0.380 31.401 31.823 -0.070 0.000 0.658 2225 V HN 0.275 nan 8.190 nan 0.000 0.452 2226 I N -0.376 120.150 120.570 -0.073 0.000 2.163 2226 I HA -0.229 3.941 4.170 0.000 0.000 0.243 2226 I C 2.372 178.461 176.117 -0.046 0.000 1.085 2226 I CA 1.394 62.666 61.300 -0.047 0.000 1.347 2226 I CB -0.405 37.544 38.000 -0.085 0.000 1.044 2226 I HN 0.146 nan 8.210 nan 0.000 0.408 2227 V N 0.873 120.734 119.914 -0.088 0.000 2.427 2227 V HA -0.253 3.867 4.120 0.000 0.000 0.248 2227 V C 2.669 178.718 176.094 -0.075 0.000 1.051 2227 V CA 1.838 64.082 62.300 -0.094 0.000 1.048 2227 V CB -0.877 30.856 31.823 -0.150 0.000 0.666 2227 V HN 0.484 nan 8.190 nan 0.000 0.456 2228 A N -0.028 122.739 122.820 -0.088 0.000 1.877 2228 A HA -0.196 4.124 4.320 0.000 0.000 0.216 2228 A C 2.351 179.902 177.584 -0.055 0.000 1.186 2228 A CA 1.502 53.492 52.037 -0.078 0.000 0.620 2228 A CB -0.433 18.518 19.000 -0.081 0.000 0.822 2228 A HN 0.387 nan 8.150 nan 0.000 0.443 2229 R N -0.834 119.635 120.500 -0.051 0.000 2.075 2229 R HA -0.109 4.231 4.340 0.000 0.000 0.232 2229 R C 2.152 178.454 176.300 0.004 0.000 1.126 2229 R CA 1.500 57.577 56.100 -0.038 0.000 0.963 2229 R CB -1.228 29.039 30.300 -0.054 0.000 0.858 2229 R HN 0.856 nan 8.270 nan 0.000 0.435 2230 H N 0.627 119.661 119.070 -0.061 0.000 2.387 2230 H HA -0.117 4.439 4.556 0.000 0.000 0.299 2230 H C 1.287 176.601 175.328 -0.024 0.000 1.099 2230 H CA 1.888 57.913 56.048 -0.039 0.000 1.315 2230 H CB 0.198 29.930 29.762 -0.051 0.000 1.380 2230 H HN 0.322 nan 8.280 nan 0.000 0.513 2231 C N -0.389 118.865 119.300 -0.077 0.000 2.559 2231 C HA 0.558 5.018 4.460 0.000 0.000 0.300 2231 C C 1.602 176.566 174.990 -0.044 0.000 1.288 2231 C CA 0.218 59.187 59.018 -0.081 0.000 1.699 2231 C CB -0.801 26.893 27.740 -0.078 0.000 1.819 2231 C HN 0.741 nan 8.230 nan 0.000 0.600 2232 G N 0.941 109.708 108.800 -0.056 0.000 2.137 2232 G HA2 -0.202 3.758 3.960 0.000 0.000 0.237 2232 G HA3 -0.202 3.758 3.960 0.000 0.000 0.237 2232 G C -0.215 174.674 174.900 -0.019 0.000 1.002 2232 G CA 0.236 45.316 45.100 -0.034 0.000 0.702 2232 G HN 0.673 nan 8.290 nan 0.000 0.515 2233 L N 0.083 121.291 121.223 -0.024 0.000 2.350 2233 L HA 0.486 4.826 4.340 0.000 0.000 0.275 2233 L C 1.310 178.169 176.870 -0.019 0.000 1.099 2233 L CA -0.930 53.902 54.840 -0.014 0.000 0.808 2233 L CB 1.030 43.079 42.059 -0.016 0.000 1.149 2233 L HN 0.268 nan 8.230 nan 0.000 0.442 2234 R N 1.798 122.300 120.500 0.004 0.000 2.490 2234 R HA 0.552 4.892 4.340 0.000 0.000 0.280 2234 R C -1.335 174.980 176.300 0.026 0.000 1.077 2234 R CA -0.372 55.739 56.100 0.019 0.000 1.065 2234 R CB 1.067 31.398 30.300 0.052 0.000 1.003 2234 R HN 0.437 nan 8.270 nan 0.000 0.470 2235 V N 5.313 125.237 119.914 0.017 0.000 2.876 2235 V HA 0.628 4.748 4.120 0.000 0.000 0.312 2235 V C -0.955 175.228 176.094 0.147 0.000 1.085 2235 V CA -0.679 61.615 62.300 -0.011 0.000 0.945 2235 V CB 1.698 33.414 31.823 -0.180 0.000 1.017 2235 V HN 0.816 nan 8.190 nan 0.000 0.428 2236 F N 0.953 120.870 119.950 -0.054 0.000 2.703 2236 F HA 0.982 5.509 4.527 0.000 0.000 0.308 2236 F C -0.300 175.401 175.800 -0.165 0.000 1.126 2236 F CA -0.230 57.730 58.000 -0.067 0.000 0.959 2236 F CB 1.630 40.560 39.000 -0.117 0.000 1.297 2236 F HN 0.869 nan 8.300 nan 0.000 0.441 2237 G N 0.923 109.521 108.800 -0.337 0.000 2.559 2237 G HA2 0.666 4.626 3.960 0.000 0.000 0.291 2237 G HA3 0.666 4.626 3.960 0.000 0.000 0.291 2237 G C -2.522 171.850 174.900 -0.879 0.000 1.424 2237 G CA -0.986 43.790 45.100 -0.540 0.000 0.786 2237 G HN 0.691 nan 8.290 nan 0.000 0.485 2238 F N -0.472 119.443 119.950 -0.058 0.000 2.613 2238 F HA 0.748 5.275 4.527 0.000 0.000 0.310 2238 F C 0.256 176.026 175.800 -0.051 0.000 1.085 2238 F CA -0.921 57.058 58.000 -0.035 0.000 0.945 2238 F CB 2.599 41.620 39.000 0.034 0.000 1.298 2238 F HN 0.364 nan 8.300 nan 0.000 0.455 2239 S N 1.960 117.753 115.700 0.155 0.000 2.482 2239 S HA 0.564 5.034 4.470 0.000 0.000 0.303 2239 S C -1.048 173.610 174.600 0.097 0.000 1.091 2239 S CA -0.645 57.624 58.200 0.115 0.000 1.057 2239 S CB 1.417 64.712 63.200 0.159 0.000 1.031 2239 S HN 0.599 nan 8.310 nan 0.000 0.485 2240 L N 4.864 126.141 121.223 0.091 0.000 2.257 2240 L HA 0.469 4.809 4.340 0.000 0.000 0.290 2240 L C -0.952 175.951 176.870 0.054 0.000 1.044 2240 L CA -0.788 54.087 54.840 0.059 0.000 0.810 2240 L CB 0.329 42.429 42.059 0.069 0.000 1.193 2240 L HN 0.540 nan 8.230 nan 0.000 0.425 2241 I N 5.275 125.853 120.570 0.013 0.000 2.389 2241 I HA 0.013 4.183 4.170 0.000 0.000 0.295 2241 I C 1.588 177.736 176.117 0.051 0.000 1.117 2241 I CA 0.194 61.517 61.300 0.037 0.000 1.317 2241 I CB 0.463 38.467 38.000 0.006 0.000 1.431 2241 I HN 0.648 nan 8.210 nan 0.000 0.521 2242 T N 2.379 116.975 114.554 0.070 0.000 3.081 2242 T HA 0.083 4.433 4.350 0.000 0.000 0.255 2242 T C 0.478 175.226 174.700 0.081 0.000 1.113 2242 T CA -0.037 62.107 62.100 0.074 0.000 1.082 2242 T CB -0.247 68.675 68.868 0.089 0.000 0.939 2242 T HN 0.680 nan 8.240 nan 0.000 0.506 2243 N N -0.726 118.024 118.700 0.083 0.000 2.598 2243 N HA 0.381 5.121 4.740 0.000 0.000 0.263 2243 N C -2.002 173.553 175.510 0.074 0.000 1.254 2243 N CA -1.250 51.851 53.050 0.085 0.000 0.863 2243 N CB 1.403 39.963 38.487 0.122 0.000 1.586 2243 N HN -0.057 nan 8.380 nan 0.000 0.491 2244 K N 1.181 121.621 120.400 0.066 0.000 2.234 2244 K HA 0.362 4.683 4.320 0.000 0.000 0.277 2244 K C -0.027 176.591 176.600 0.030 0.000 1.038 2244 K CA -0.974 55.344 56.287 0.052 0.000 0.888 2244 K CB 1.478 34.007 32.500 0.049 0.000 1.091 2244 K HN 0.516 nan 8.250 nan 0.000 0.467 2245 V N 1.204 121.119 119.914 0.002 0.000 2.999 2245 V HA 0.112 4.232 4.120 0.000 0.000 0.307 2245 V C 0.406 176.488 176.094 -0.020 0.000 1.084 2245 V CA -0.563 61.727 62.300 -0.017 0.000 1.155 2245 V CB 0.241 32.027 31.823 -0.062 0.000 0.975 2245 V HN 0.492 nan 8.190 nan 0.000 0.490 2246 I N 5.754 126.314 120.570 -0.016 0.000 2.421 2246 I HA 0.167 4.337 4.170 0.000 0.000 0.291 2246 I C 0.881 176.942 176.117 -0.092 0.000 1.089 2246 I CA 0.144 61.421 61.300 -0.040 0.000 1.354 2246 I CB 0.762 38.748 38.000 -0.024 0.000 1.413 2246 I HN 0.760 nan 8.210 nan 0.000 0.513 2247 M N 3.356 122.894 119.600 -0.102 0.000 2.441 2247 M HA 0.166 4.646 4.480 0.000 0.000 0.244 2247 M C -0.083 176.097 176.300 -0.201 0.000 1.122 2247 M CA 0.538 55.756 55.300 -0.137 0.000 1.041 2247 M CB -0.119 32.422 32.600 -0.098 0.000 1.438 2247 M HN 0.404 nan 8.290 nan 0.000 0.484 2248 D N -1.541 118.737 120.400 -0.202 0.000 2.547 2248 D HA 0.239 4.879 4.640 0.000 0.000 0.231 2248 D C -0.350 175.796 176.300 -0.256 0.000 1.099 2248 D CA -0.467 53.396 54.000 -0.228 0.000 0.901 2248 D CB 1.210 41.962 40.800 -0.080 0.000 1.478 2248 D HN 0.038 nan 8.370 nan 0.000 0.471 2249 Y N -0.015 120.287 120.300 0.004 0.000 2.477 2249 Y HA -0.019 4.531 4.550 0.000 0.000 0.303 2249 Y C 1.467 177.370 175.900 0.005 0.000 1.202 2249 Y CA 0.131 58.234 58.100 0.005 0.000 1.282 2249 Y CB 0.371 38.833 38.460 0.004 0.000 1.071 2249 Y HN 0.218 nan 8.280 nan 0.000 0.510 2267 A N 0.626 123.460 122.820 0.023 0.000 1.902 2267 A HA 0.038 4.358 4.320 0.000 0.000 0.217 2267 A C 2.245 179.853 177.584 0.039 0.000 1.181 2267 A CA 2.730 54.788 52.037 0.034 0.000 0.623 2267 A CB -1.399 17.624 19.000 0.038 0.000 0.818 2267 A HN 0.837 nan 8.150 nan 0.000 0.443 2268 A N -0.439 122.403 122.820 0.037 0.000 1.908 2268 A HA -0.244 4.076 4.320 0.000 0.000 0.218 2268 A C 2.118 179.722 177.584 0.033 0.000 1.181 2268 A CA 1.737 53.797 52.037 0.039 0.000 0.627 2268 A CB -0.635 18.388 19.000 0.038 0.000 0.818 2268 A HN 0.688 nan 8.150 nan 0.000 0.445 2269 Q N -0.639 119.175 119.800 0.023 0.000 2.119 2269 Q HA -0.156 4.184 4.340 0.000 0.000 0.201 2269 Q C 2.158 178.167 176.000 0.015 0.000 0.972 2269 Q CA 1.409 57.221 55.803 0.015 0.000 0.847 2269 Q CB -0.226 28.515 28.738 0.005 0.000 0.903 2269 Q HN 0.711 nan 8.270 nan 0.000 0.433 2270 K N 1.282 121.690 120.400 0.014 0.000 2.057 2270 K HA -0.141 4.179 4.320 0.000 0.000 0.207 2270 K C 2.046 178.684 176.600 0.063 0.000 1.049 2270 K CA 0.854 57.144 56.287 0.004 0.000 0.931 2270 K CB -0.112 32.390 32.500 0.003 0.000 0.714 2270 K HN 0.238 nan 8.250 nan 0.000 0.440 2271 L N 1.150 122.423 121.223 0.083 0.000 2.046 2271 L HA -0.186 4.154 4.340 0.000 0.000 0.208 2271 L C 2.086 179.003 176.870 0.079 0.000 1.077 2271 L CA 1.602 56.507 54.840 0.107 0.000 0.747 2271 L CB -0.266 41.836 42.059 0.070 0.000 0.896 2271 L HN 0.342 nan 8.230 nan 0.000 0.432 2272 E N -0.636 119.594 120.200 0.050 0.000 2.058 2272 E HA -0.328 4.022 4.350 0.000 0.000 0.194 2272 E C 2.018 178.641 176.600 0.038 0.000 0.997 2272 E CA 1.523 57.941 56.400 0.031 0.000 0.801 2272 E CB -0.010 29.702 29.700 0.021 0.000 0.746 2272 E HN 0.407 nan 8.360 nan 0.000 0.450 2273 Q N 0.301 120.130 119.800 0.048 0.000 2.084 2273 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 2273 Q C 1.835 177.904 176.000 0.114 0.000 0.978 2273 Q CA 1.335 57.168 55.803 0.050 0.000 0.844 2273 Q CB -0.396 28.351 28.738 0.014 0.000 0.898 2273 Q HN 0.237 nan 8.270 nan 0.000 0.426 2274 F N -0.190 119.721 119.950 -0.065 0.000 2.095 2274 F HA -0.159 4.368 4.527 0.000 0.000 0.298 2274 F C 1.954 177.714 175.800 -0.067 0.000 1.104 2274 F CA 1.277 59.233 58.000 -0.074 0.000 1.232 2274 F CB -0.761 38.182 39.000 -0.095 0.000 0.987 2274 F HN 0.004 nan 8.300 nan 0.000 0.475 2275 V N -0.814 119.037 119.914 -0.104 0.000 2.343 2275 V HA -0.276 3.844 4.120 0.000 0.000 0.247 2275 V C 2.709 178.783 176.094 -0.033 0.000 1.051 2275 V CA 1.928 64.150 62.300 -0.130 0.000 1.036 2275 V CB -1.055 30.731 31.823 -0.063 0.000 0.654 2275 V HN 0.484 nan 8.190 nan 0.000 0.451 2276 S N -0.324 115.376 115.700 -0.001 0.000 2.356 2276 S HA -0.165 4.305 4.470 0.000 0.000 0.223 2276 S C 1.964 176.575 174.600 0.019 0.000 1.032 2276 S CA 1.738 59.945 58.200 0.012 0.000 1.005 2276 S CB -0.336 62.873 63.200 0.015 0.000 0.867 2276 S HN 0.509 nan 8.310 nan 0.000 0.449 2277 L N 0.646 121.889 121.223 0.033 0.000 2.083 2277 L HA -0.089 4.251 4.340 0.000 0.000 0.209 2277 L C 2.178 179.063 176.870 0.024 0.000 1.083 2277 L CA 0.705 55.571 54.840 0.044 0.000 0.752 2277 L CB -0.494 41.621 42.059 0.095 0.000 0.899 2277 L HN 0.321 nan 8.230 nan 0.000 0.433 2278 L N -0.973 120.240 121.223 -0.016 0.000 2.456 2278 L HA -0.144 4.196 4.340 0.000 0.000 0.224 2278 L C 2.384 179.274 176.870 0.034 0.000 1.148 2278 L CA 1.255 56.079 54.840 -0.026 0.000 0.825 2278 L CB -0.707 41.307 42.059 -0.075 0.000 0.937 2278 L HN 0.256 nan 8.230 nan 0.000 0.450 2279 M N -0.897 118.733 119.600 0.050 0.000 2.149 2279 M HA -0.152 4.328 4.480 0.000 0.000 0.261 2279 M C 2.315 178.636 176.300 0.034 0.000 1.064 2279 M CA 1.688 57.023 55.300 0.058 0.000 1.102 2279 M CB -1.308 31.314 32.600 0.037 0.000 1.369 2279 M HN 0.311 nan 8.290 nan 0.000 0.408 2280 A N -1.211 121.621 122.820 0.020 0.000 2.172 2280 A HA -0.021 4.299 4.320 0.000 0.000 0.216 2280 A C 2.289 179.874 177.584 0.001 0.000 1.154 2280 A CA 1.458 53.502 52.037 0.012 0.000 0.701 2280 A CB -0.450 18.558 19.000 0.014 0.000 0.789 2280 A HN 0.468 nan 8.150 nan 0.000 0.465 2281 S N -0.675 115.016 115.700 -0.016 0.000 2.535 2281 S HA 0.289 4.759 4.470 0.000 0.000 0.214 2281 S C 0.479 175.038 174.600 -0.069 0.000 0.980 2281 S CA -0.358 57.813 58.200 -0.048 0.000 0.907 2281 S CB -0.135 63.017 63.200 -0.080 0.000 0.790 2281 S HN 0.488 nan 8.310 nan 0.000 0.510 2282 I N 4.706 125.257 120.570 -0.032 0.000 2.452 2282 I HA 0.135 4.305 4.170 0.000 0.000 0.287 2282 I C -1.941 174.177 176.117 0.003 0.000 1.079 2282 I CA -2.113 59.184 61.300 -0.005 0.000 1.387 2282 I CB 0.496 38.547 38.000 0.085 0.000 1.404 2282 I HN 0.026 nan 8.210 nan 0.000 0.522 2283 P HA 0.021 nan 4.420 nan 0.000 0.267 2283 P C 0.023 177.330 177.300 0.012 0.000 1.195 2283 P CA 0.181 63.282 63.100 0.001 0.000 0.773 2283 P CB 0.735 32.434 31.700 -0.001 0.000 0.837 2284 V N 0.000 119.920 119.914 0.010 0.000 2.409 2284 V HA 0.000 4.120 4.120 0.000 0.000 0.244 2284 V CA 0.000 62.308 62.300 0.013 0.000 1.235 2284 V CB 0.000 31.833 31.823 0.016 0.000 1.184 2284 V HN 0.000 nan 8.190 nan 0.000 0.556