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 2i8a_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQQXXXXXX XXXXXXSHAV KIVVEAARRL DATA SEQUENCE L 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.560 176.600 -0.067 0.000 0.988 2003 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 2003 K CB 0.000 32.480 32.500 -0.034 0.000 1.064 2004 S N 1.436 117.086 115.700 -0.084 0.000 2.546 2004 S HA 0.027 4.497 4.470 0.000 0.000 0.290 2004 S C 0.258 174.767 174.600 -0.152 0.000 1.290 2004 S CA 0.238 58.374 58.200 -0.106 0.000 1.069 2004 S CB 0.423 63.546 63.200 -0.128 0.000 0.846 2004 S HN 0.242 nan 8.310 nan 0.000 0.495 2005 D N 2.114 122.434 120.400 -0.133 0.000 2.347 2005 D HA 0.088 4.728 4.640 0.000 0.000 0.213 2005 D C 0.647 176.807 176.300 -0.233 0.000 0.985 2005 D CA 0.683 54.590 54.000 -0.154 0.000 0.879 2005 D CB 0.125 40.871 40.800 -0.091 0.000 0.919 2005 D HN 0.449 nan 8.370 nan 0.000 0.526 2006 V N -3.302 116.467 119.914 -0.241 0.000 3.102 2006 V HA 0.429 4.549 4.120 0.000 0.000 0.312 2006 V C 0.615 176.529 176.094 -0.301 0.000 1.135 2006 V CA -0.929 61.224 62.300 -0.244 0.000 1.022 2006 V CB 1.328 33.112 31.823 -0.066 0.000 1.056 2006 V HN -0.210 nan 8.190 nan 0.000 0.436 2007 F N -0.286 119.640 119.950 -0.041 0.000 2.416 2007 F HA 0.139 4.666 4.527 -0.000 0.000 0.296 2007 F C 2.039 177.664 175.800 -0.291 0.000 1.099 2007 F CA 1.851 59.759 58.000 -0.154 0.000 1.427 2007 F CB -0.059 38.844 39.000 -0.162 0.000 1.079 2007 F HN 0.699 nan 8.300 nan 0.000 0.536 2008 H N -1.732 117.381 119.070 0.071 0.000 2.594 2008 H HA 0.233 4.789 4.556 0.000 0.000 0.274 2008 H C 1.895 177.227 175.328 0.007 0.000 0.982 2008 H CA 0.454 56.523 56.048 0.035 0.000 1.228 2008 H CB 0.039 29.785 29.762 -0.026 0.000 1.447 2008 H HN 0.021 nan 8.280 nan 0.000 0.485 2009 L N -0.402 120.857 121.223 0.060 0.000 2.341 2009 L HA 0.161 4.501 4.340 0.000 0.000 0.214 2009 L C 1.113 178.104 176.870 0.201 0.000 1.115 2009 L CA 0.752 55.650 54.840 0.097 0.000 0.820 2009 L CB -0.069 41.992 42.059 0.002 0.000 0.944 2009 L HN 0.560 nan 8.230 nan 0.000 0.452 2010 G N 1.044 109.863 108.800 0.032 0.000 2.198 2010 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 2010 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 2010 G C -0.149 174.798 174.900 0.078 0.000 1.042 2010 G CA 0.034 45.147 45.100 0.022 0.000 0.791 2010 G HN 0.234 nan 8.290 nan 0.000 0.502 2011 L N -0.009 121.230 121.223 0.026 0.000 2.323 2011 L HA 0.859 5.199 4.340 0.000 0.000 0.265 2011 L C 0.747 177.606 176.870 -0.019 0.000 1.012 2011 L CA -0.594 54.256 54.840 0.016 0.000 0.820 2011 L CB 2.342 44.417 42.059 0.028 0.000 1.334 2011 L HN 0.334 nan 8.230 nan 0.000 0.427 2012 T N -3.472 111.072 114.554 -0.018 0.000 2.950 2012 T HA 0.383 4.733 4.350 0.000 0.000 0.288 2012 T C 0.665 175.353 174.700 -0.020 0.000 1.035 2012 T CA -0.934 61.148 62.100 -0.029 0.000 1.028 2012 T CB 2.009 70.859 68.868 -0.029 0.000 1.109 2012 T HN 0.514 nan 8.240 nan 0.000 0.514 2013 K N 0.712 121.099 120.400 -0.022 0.000 2.074 2013 K HA -0.223 4.097 4.320 0.000 0.000 0.209 2013 K C 2.139 178.729 176.600 -0.016 0.000 1.048 2013 K CA 1.970 58.247 56.287 -0.016 0.000 0.926 2013 K CB -0.470 32.020 32.500 -0.016 0.000 0.713 2013 K HN 0.721 nan 8.250 nan 0.000 0.444 2014 N N 1.566 120.255 118.700 -0.018 0.000 2.094 2014 N HA -0.200 4.540 4.740 0.000 0.000 0.191 2014 N C 1.330 176.830 175.510 -0.017 0.000 1.023 2014 N CA 1.878 54.917 53.050 -0.017 0.000 0.857 2014 N CB -0.096 38.380 38.487 -0.019 0.000 1.013 2014 N HN 0.106 nan 8.380 nan 0.000 0.426 2015 D N -0.349 120.041 120.400 -0.017 0.000 2.190 2015 D HA -0.137 4.503 4.640 0.000 0.000 0.200 2015 D C 1.604 177.896 176.300 -0.013 0.000 0.992 2015 D CA 0.795 54.784 54.000 -0.017 0.000 0.854 2015 D CB -0.153 40.639 40.800 -0.014 0.000 0.936 2015 D HN 0.316 nan 8.370 nan 0.000 0.462 2016 L N 0.447 121.664 121.223 -0.010 0.000 2.376 2016 L HA -0.024 4.316 4.340 0.000 0.000 0.219 2016 L C 0.784 177.647 176.870 -0.012 0.000 1.133 2016 L CA 0.670 55.505 54.840 -0.009 0.000 0.816 2016 L CB -0.478 41.574 42.059 -0.011 0.000 0.933 2016 L HN 0.022 nan 8.230 nan 0.000 0.449 2017 Q N -0.160 119.632 119.800 -0.013 0.000 2.435 2017 Q HA -0.283 4.057 4.340 0.000 0.000 0.312 2017 Q C 1.111 177.102 176.000 -0.014 0.000 1.333 2017 Q CA 0.409 56.204 55.803 -0.013 0.000 0.883 2017 Q CB -2.006 26.725 28.738 -0.011 0.000 1.170 2017 Q HN 0.642 nan 8.270 nan 0.000 0.443 2018 G N -1.869 106.921 108.800 -0.016 0.000 2.143 2018 G HA2 -0.264 3.696 3.960 0.000 0.000 0.248 2018 G HA3 -0.264 3.696 3.960 0.000 0.000 0.248 2018 G C 0.254 175.139 174.900 -0.025 0.000 0.991 2018 G CA 0.270 45.359 45.100 -0.018 0.000 0.689 2018 G HN 1.095 nan 8.290 nan 0.000 0.522 2019 A N -0.522 122.282 122.820 -0.028 0.000 2.477 2019 A HA 0.607 4.927 4.320 0.000 0.000 0.246 2019 A C 1.043 178.590 177.584 -0.062 0.000 1.078 2019 A CA 1.135 53.148 52.037 -0.040 0.000 0.770 2019 A CB 0.270 19.248 19.000 -0.035 0.000 1.011 2019 A HN 0.583 nan 8.150 nan 0.000 0.494 2020 Q N 0.889 120.641 119.800 -0.080 0.000 2.140 2020 Q HA 0.323 4.663 4.340 0.000 0.000 0.227 2020 Q C -0.626 175.267 176.000 -0.177 0.000 0.798 2020 Q CA 0.012 55.749 55.803 -0.109 0.000 0.987 2020 Q CB 0.800 29.494 28.738 -0.073 0.000 1.161 2020 Q HN 0.713 nan 8.270 nan 0.000 0.480 2021 L N 0.636 121.757 121.223 -0.171 0.000 2.408 2021 L HA 0.822 5.162 4.340 0.000 0.000 0.268 2021 L C -1.777 174.970 176.870 -0.204 0.000 0.986 2021 L CA -0.672 54.040 54.840 -0.212 0.000 0.820 2021 L CB 1.752 43.736 42.059 -0.125 0.000 1.303 2021 L HN -0.069 nan 8.230 nan 0.000 0.411 2022 A N 5.691 128.341 122.820 -0.283 0.000 2.355 2022 A HA 0.725 5.045 4.320 0.000 0.000 0.317 2022 A C -0.980 176.582 177.584 -0.037 0.000 1.094 2022 A CA -0.548 51.404 52.037 -0.143 0.000 0.764 2022 A CB 1.087 20.002 19.000 -0.142 0.000 1.230 2022 A HN 0.674 nan 8.150 nan 0.000 0.448 2023 I N 2.582 123.160 120.570 0.013 0.000 2.331 2023 I HA 0.369 4.540 4.170 0.000 0.000 0.292 2023 I C -0.195 175.967 176.117 0.076 0.000 0.998 2023 I CA -0.613 60.710 61.300 0.039 0.000 1.267 2023 I CB 1.786 39.796 38.000 0.016 0.000 1.386 2023 I HN 0.462 nan 8.210 nan 0.000 0.476 2024 V N 5.617 125.589 119.914 0.098 0.000 2.276 2024 V HA 0.487 4.608 4.120 0.000 0.000 0.268 2024 V C -2.543 173.598 176.094 0.079 0.000 1.032 2024 V CA -1.893 60.477 62.300 0.116 0.000 0.810 2024 V CB 0.309 32.237 31.823 0.174 0.000 1.060 2024 V HN 0.454 nan 8.190 nan 0.000 0.446 2025 P HA 0.293 nan 4.420 nan 0.000 0.276 2025 P C 0.997 178.322 177.300 0.042 0.000 1.261 2025 P CA 0.357 63.479 63.100 0.036 0.000 0.800 2025 P CB 1.766 33.475 31.700 0.015 0.000 1.066 2026 G N -0.224 108.591 108.800 0.024 0.000 2.411 2026 G HA2 -0.077 3.883 3.960 0.000 0.000 0.213 2026 G HA3 -0.077 3.883 3.960 0.000 0.000 0.213 2026 G C 0.277 175.178 174.900 0.001 0.000 1.166 2026 G CA 0.486 45.596 45.100 0.017 0.000 0.802 2026 G HN 0.512 nan 8.290 nan 0.000 0.533 2027 D N 0.175 120.571 120.400 -0.006 0.000 2.280 2027 D HA 0.311 4.952 4.640 0.000 0.000 0.243 2027 D C -1.516 174.776 176.300 -0.014 0.000 1.129 2027 D CA -2.409 51.578 54.000 -0.020 0.000 0.848 2027 D CB 2.022 42.806 40.800 -0.026 0.000 1.107 2027 D HN -0.096 nan 8.370 nan 0.000 0.471 2028 P HA -0.133 nan 4.420 nan 0.000 0.218 2028 P C 0.617 177.911 177.300 -0.010 0.000 1.146 2028 P CA 1.035 64.140 63.100 0.008 0.000 0.813 2028 P CB 0.296 31.999 31.700 0.006 0.000 0.778 2029 E N -1.121 119.064 120.200 -0.026 0.000 2.511 2029 E HA -0.042 4.308 4.350 0.000 0.000 0.196 2029 E C 1.464 178.022 176.600 -0.070 0.000 1.066 2029 E CA 0.336 56.712 56.400 -0.041 0.000 0.871 2029 E CB 0.017 29.697 29.700 -0.033 0.000 0.863 2029 E HN 0.226 nan 8.360 nan 0.000 0.520 2030 R N -0.175 120.282 120.500 -0.071 0.000 2.282 2030 R HA 0.087 4.427 4.340 0.000 0.000 0.195 2030 R C 2.145 178.363 176.300 -0.137 0.000 0.909 2030 R CA 0.144 56.191 56.100 -0.088 0.000 1.039 2030 R CB -0.276 29.992 30.300 -0.053 0.000 1.015 2030 R HN 0.023 nan 8.270 nan 0.000 0.513 2031 V N 1.649 121.473 119.914 -0.150 0.000 2.233 2031 V HA -0.261 3.859 4.120 0.000 0.000 0.247 2031 V C 2.462 178.263 176.094 -0.488 0.000 1.050 2031 V CA 2.260 64.432 62.300 -0.213 0.000 1.010 2031 V CB -0.440 31.323 31.823 -0.099 0.000 0.637 2031 V HN 0.362 nan 8.190 nan 0.000 0.444 2032 E N 0.071 119.813 120.200 -0.764 0.000 2.118 2032 E HA -0.298 4.052 4.350 0.000 0.000 0.195 2032 E C 2.195 178.416 176.600 -0.633 0.000 0.992 2032 E CA 1.548 57.222 56.400 -1.210 0.000 0.804 2032 E CB -0.035 28.998 29.700 -1.111 0.000 0.741 2032 E HN 0.521 nan 8.360 nan 0.000 0.458 2033 K N 0.306 120.486 120.400 -0.367 0.000 2.063 2033 K HA -0.106 4.214 4.320 0.000 0.000 0.208 2033 K C 2.015 178.508 176.600 -0.178 0.000 1.048 2033 K CA 1.436 57.592 56.287 -0.218 0.000 0.928 2033 K CB -0.096 32.317 32.500 -0.145 0.000 0.713 2033 K HN 0.224 nan 8.250 nan 0.000 0.442 2034 I N 0.127 120.590 120.570 -0.178 0.000 2.202 2034 I HA -0.235 3.935 4.170 0.000 0.000 0.242 2034 I C 2.265 178.313 176.117 -0.115 0.000 1.091 2034 I CA 1.103 62.332 61.300 -0.119 0.000 1.368 2034 I CB -0.352 37.595 38.000 -0.088 0.000 1.058 2034 I HN 0.133 nan 8.210 nan 0.000 0.410 2035 A N 0.782 123.501 122.820 -0.168 0.000 2.019 2035 A HA -0.133 4.188 4.320 0.000 0.000 0.219 2035 A C 2.456 180.004 177.584 -0.061 0.000 1.164 2035 A CA 1.708 53.694 52.037 -0.086 0.000 0.644 2035 A CB -0.707 18.261 19.000 -0.054 0.000 0.805 2035 A HN 0.446 nan 8.150 nan 0.000 0.449 2036 A N -0.407 122.335 122.820 -0.130 0.000 2.121 2036 A HA 0.101 4.421 4.320 0.000 0.000 0.218 2036 A C 1.894 179.453 177.584 -0.040 0.000 1.154 2036 A CA 1.035 53.027 52.037 -0.075 0.000 0.679 2036 A CB -0.474 18.459 19.000 -0.112 0.000 0.795 2036 A HN 0.485 nan 8.150 nan 0.000 0.458 2037 L N -1.196 119.999 121.223 -0.047 0.000 2.551 2037 L HA 0.054 4.394 4.340 0.000 0.000 0.228 2037 L C 0.960 177.819 176.870 -0.018 0.000 1.153 2037 L CA 0.224 55.045 54.840 -0.033 0.000 0.851 2037 L CB -0.432 41.603 42.059 -0.040 0.000 0.959 2037 L HN 0.441 nan 8.230 nan 0.000 0.451 2038 M N -1.556 118.040 119.600 -0.007 0.000 2.849 2038 M HA 0.314 4.794 4.480 0.000 0.000 0.299 2038 M C -0.637 175.675 176.300 0.020 0.000 1.223 2038 M CA -0.875 54.429 55.300 0.006 0.000 0.856 2038 M CB 1.405 34.011 32.600 0.011 0.000 1.680 2038 M HN -0.181 nan 8.290 nan 0.000 0.506 2039 D N 0.899 121.312 120.400 0.021 0.000 2.313 2039 D HA 0.166 4.806 4.640 0.000 0.000 0.247 2039 D C -0.385 175.940 176.300 0.042 0.000 1.094 2039 D CA 0.028 54.043 54.000 0.026 0.000 0.925 2039 D CB 0.800 41.609 40.800 0.016 0.000 1.188 2039 D HN 0.393 nan 8.370 nan 0.000 0.430 2040 K N -0.274 120.154 120.400 0.045 0.000 3.278 2040 K HA -0.126 4.194 4.320 0.000 0.000 0.270 2040 K C -2.426 174.226 176.600 0.087 0.000 0.955 2040 K CA 0.283 56.601 56.287 0.052 0.000 0.723 2040 K CB -1.221 31.298 32.500 0.032 0.000 1.382 2040 K HN 0.348 nan 8.250 nan 0.000 0.461 2041 P HA 0.119 nan 4.420 nan 0.000 0.276 2041 P C -0.446 177.021 177.300 0.278 0.000 1.243 2041 P CA -0.237 63.027 63.100 0.273 0.000 0.768 2041 P CB 1.112 32.999 31.700 0.313 0.000 0.856 2042 V N 0.609 120.608 119.914 0.142 0.000 2.760 2042 V HA 0.497 4.617 4.120 0.000 0.000 0.309 2042 V C -0.112 175.570 176.094 -0.686 0.000 1.077 2042 V CA -1.301 60.855 62.300 -0.239 0.000 0.910 2042 V CB 2.133 33.866 31.823 -0.150 0.000 1.008 2042 V HN 0.360 nan 8.190 nan 0.000 0.424 2043 K N 2.496 122.070 120.400 -1.377 0.000 2.326 2043 K HA 0.472 4.792 4.320 0.000 0.000 0.275 2043 K C -0.077 176.137 176.600 -0.643 0.000 1.018 2043 K CA -0.302 55.042 56.287 -1.571 0.000 0.962 2043 K CB 1.163 32.851 32.500 -1.354 0.000 0.953 2043 K HN 0.857 nan 8.250 nan 0.000 0.475 2044 L N 1.933 122.902 121.223 -0.424 0.000 2.435 2044 L HA 0.336 4.676 4.340 0.000 0.000 0.195 2044 L C 0.375 177.172 176.870 -0.121 0.000 1.072 2044 L CA 0.073 54.801 54.840 -0.186 0.000 0.833 2044 L CB 0.422 42.437 42.059 -0.074 0.000 1.081 2044 L HN 0.725 nan 8.230 nan 0.000 0.485 2045 A N -1.128 121.638 122.820 -0.089 0.000 2.601 2045 A HA 0.655 4.975 4.320 0.000 0.000 0.291 2045 A C -1.232 176.297 177.584 -0.092 0.000 1.075 2045 A CA -0.286 51.707 52.037 -0.072 0.000 0.671 2045 A CB 1.755 20.801 19.000 0.077 0.000 1.277 2045 A HN -0.142 nan 8.150 nan 0.000 0.417 2046 S N 0.568 116.079 115.700 -0.315 0.000 2.750 2046 S HA 0.642 5.112 4.470 0.000 0.000 0.276 2046 S C -1.754 172.540 174.600 -0.509 0.000 1.165 2046 S CA -0.459 57.607 58.200 -0.224 0.000 1.047 2046 S CB 0.310 63.446 63.200 -0.105 0.000 1.056 2046 S HN 0.679 nan 8.310 nan 0.000 0.481 2047 H N 3.576 122.739 119.070 0.155 0.000 2.782 2047 H HA 0.508 5.064 4.556 -0.000 0.000 0.347 2047 H C 0.604 176.025 175.328 0.155 0.000 1.038 2047 H CA -0.591 55.553 56.048 0.160 0.000 1.255 2047 H CB 1.381 31.262 29.762 0.198 0.000 1.623 2047 H HN 0.717 nan 8.280 nan 0.000 0.525 2048 R N 0.664 121.262 120.500 0.164 0.000 3.772 2048 R HA -0.240 4.100 4.340 0.000 0.000 0.480 2048 R C 1.104 177.314 176.300 -0.150 0.000 0.241 2048 R CA 1.962 58.063 56.100 0.001 0.000 1.508 2048 R CB -0.775 29.528 30.300 0.006 0.000 0.956 2048 R HN 0.752 nan 8.270 nan 0.000 0.583 2049 E N 2.056 121.979 120.200 -0.461 0.000 2.489 2049 E HA 0.004 4.354 4.350 0.000 0.000 0.193 2049 E C 0.057 176.412 176.600 -0.410 0.000 1.057 2049 E CA 0.677 56.800 56.400 -0.461 0.000 0.866 2049 E CB 0.046 29.444 29.700 -0.503 0.000 0.916 2049 E HN 0.384 nan 8.360 nan 0.000 0.500 2050 F N 1.790 121.795 119.950 0.091 0.000 2.303 2050 F HA 0.299 4.826 4.527 0.000 0.000 0.368 2050 F C 0.230 176.093 175.800 0.105 0.000 1.105 2050 F CA -0.681 57.382 58.000 0.105 0.000 1.153 2050 F CB 1.275 40.356 39.000 0.135 0.000 1.362 2050 F HN -0.324 nan 8.300 nan 0.000 0.511 2051 T N 2.052 116.745 114.554 0.231 0.000 2.767 2051 T HA 0.449 4.799 4.350 0.000 0.000 0.284 2051 T C -0.230 174.628 174.700 0.264 0.000 0.973 2051 T CA -0.728 61.499 62.100 0.212 0.000 0.996 2051 T CB 1.104 70.082 68.868 0.183 0.000 0.927 2051 T HN 0.539 nan 8.240 nan 0.000 0.456 2052 S N 2.436 118.295 115.700 0.265 0.000 2.521 2052 S HA 0.769 5.239 4.470 0.000 0.000 0.295 2052 S C -1.557 173.227 174.600 0.306 0.000 1.098 2052 S CA -0.983 57.373 58.200 0.261 0.000 0.999 2052 S CB 1.146 64.446 63.200 0.167 0.000 1.034 2052 S HN 0.648 nan 8.310 nan 0.000 0.483 2053 W N 1.210 122.527 121.300 0.028 0.000 2.864 2053 W HA 0.654 5.314 4.660 -0.000 0.000 0.343 2053 W C 0.185 176.709 176.519 0.010 0.000 1.109 2053 W CA -0.837 56.517 57.345 0.015 0.000 1.192 2053 W CB 1.901 31.367 29.460 0.011 0.000 1.426 2053 W HN 0.735 nan 8.180 nan 0.000 0.529 2054 R N 1.575 122.188 120.500 0.189 0.000 2.589 2054 R HA 0.886 5.226 4.340 0.000 0.000 0.293 2054 R C -0.596 175.790 176.300 0.144 0.000 0.963 2054 R CA -0.331 55.840 56.100 0.118 0.000 0.905 2054 R CB 1.518 31.842 30.300 0.040 0.000 1.144 2054 R HN 0.648 nan 8.270 nan 0.000 0.459 2055 A N 2.615 125.496 122.820 0.102 0.000 2.525 2055 A HA 0.556 4.876 4.320 0.000 0.000 0.291 2055 A C -1.494 176.117 177.584 0.044 0.000 1.268 2055 A CA -0.697 51.391 52.037 0.085 0.000 0.712 2055 A CB 1.662 20.717 19.000 0.092 0.000 1.320 2055 A HN 0.702 nan 8.150 nan 0.000 0.456 2056 E N -0.709 119.510 120.200 0.032 0.000 2.272 2056 E HA 0.546 4.896 4.350 0.000 0.000 0.269 2056 E C -2.122 174.483 176.600 0.008 0.000 0.877 2056 E CA -0.677 55.732 56.400 0.015 0.000 0.755 2056 E CB 2.423 32.131 29.700 0.013 0.000 1.192 2056 E HN 0.340 nan 8.360 nan 0.000 0.422 2057 L N 3.628 124.851 121.223 0.000 0.000 2.404 2057 L HA 0.288 4.628 4.340 0.000 0.000 0.272 2057 L C -1.127 175.738 176.870 -0.008 0.000 0.980 2057 L CA -0.221 54.615 54.840 -0.006 0.000 0.836 2057 L CB 1.159 43.211 42.059 -0.011 0.000 1.238 2057 L HN 0.512 nan 8.230 nan 0.000 0.408 2058 D N 4.511 124.907 120.400 -0.008 0.000 2.692 2058 D HA -0.214 4.426 4.640 0.000 0.000 0.233 2058 D C 1.202 177.498 176.300 -0.007 0.000 1.172 2058 D CA 1.425 55.420 54.000 -0.008 0.000 0.636 2058 D CB -1.005 39.789 40.800 -0.010 0.000 1.028 2058 D HN 1.158 nan 8.370 nan 0.000 0.419 2059 G N -1.194 107.603 108.800 -0.005 0.000 2.234 2059 G HA2 -0.392 3.568 3.960 0.000 0.000 0.260 2059 G HA3 -0.392 3.568 3.960 0.000 0.000 0.260 2059 G C 0.386 175.282 174.900 -0.006 0.000 0.987 2059 G CA 0.792 45.890 45.100 -0.004 0.000 0.625 2059 G HN 0.470 nan 8.290 nan 0.000 0.532 2060 K N 1.092 121.487 120.400 -0.008 0.000 2.156 2060 K HA 0.749 5.069 4.320 0.000 0.000 0.271 2060 K C 0.583 177.178 176.600 -0.009 0.000 0.995 2060 K CA 0.398 56.679 56.287 -0.011 0.000 0.890 2060 K CB 1.607 34.098 32.500 -0.016 0.000 1.073 2060 K HN 0.630 nan 8.250 nan 0.000 0.454 2061 A N 2.118 124.932 122.820 -0.010 0.000 2.462 2061 A HA 0.444 4.764 4.320 0.000 0.000 0.243 2061 A C -0.305 177.271 177.584 -0.012 0.000 1.076 2061 A CA -0.356 51.678 52.037 -0.006 0.000 0.773 2061 A CB -0.034 18.962 19.000 -0.006 0.000 1.010 2061 A HN 0.562 nan 8.150 nan 0.000 0.493 2062 V N 0.728 120.641 119.914 -0.002 0.000 2.841 2062 V HA 0.676 4.796 4.120 0.000 0.000 0.310 2062 V C -0.677 175.425 176.094 0.014 0.000 1.090 2062 V CA -1.053 61.242 62.300 -0.009 0.000 0.930 2062 V CB 1.622 33.440 31.823 -0.009 0.000 1.014 2062 V HN 0.646 nan 8.190 nan 0.000 0.425 2063 I N 3.376 123.947 120.570 0.002 0.000 2.437 2063 I HA 0.624 4.794 4.170 0.000 0.000 0.298 2063 I C -0.176 175.974 176.117 0.055 0.000 0.984 2063 I CA -0.760 60.563 61.300 0.038 0.000 1.214 2063 I CB 1.893 39.906 38.000 0.022 0.000 1.365 2063 I HN 0.536 nan 8.210 nan 0.000 0.469 2064 V N 4.935 124.912 119.914 0.106 0.000 2.444 2064 V HA 0.416 4.536 4.120 0.000 0.000 0.294 2064 V C -0.499 175.680 176.094 0.143 0.000 1.022 2064 V CA -0.468 61.892 62.300 0.099 0.000 0.850 2064 V CB 2.013 33.877 31.823 0.067 0.000 0.992 2064 V HN 0.902 nan 8.190 nan 0.000 0.426 2065 C N 5.065 124.446 119.300 0.135 0.000 2.551 2065 C HA 0.712 5.172 4.460 0.000 0.000 0.332 2065 C C 0.548 175.641 174.990 0.171 0.000 1.139 2065 C CA -0.406 58.715 59.018 0.173 0.000 1.328 2065 C CB 1.168 29.014 27.740 0.177 0.000 1.903 2065 C HN 1.029 nan 8.230 nan 0.000 0.459 2066 S N 3.242 119.051 115.700 0.182 0.000 2.592 2066 S HA 0.396 4.866 4.470 0.000 0.000 0.271 2066 S C 0.919 175.662 174.600 0.238 0.000 1.326 2066 S CA 0.361 58.652 58.200 0.152 0.000 1.024 2066 S CB 1.331 64.586 63.200 0.091 0.000 0.921 2066 S HN 1.022 nan 8.310 nan 0.000 0.527 2067 T N -1.784 112.870 114.554 0.167 0.000 2.990 2067 T HA 0.530 4.880 4.350 0.000 0.000 0.249 2067 T C 1.179 175.939 174.700 0.099 0.000 1.039 2067 T CA 0.367 62.598 62.100 0.218 0.000 1.036 2067 T CB -0.856 68.090 68.868 0.129 0.000 0.994 2067 T HN 1.919 nan 8.240 nan 0.000 0.489 2068 G N 1.536 110.324 108.800 -0.020 0.000 2.741 2068 G HA2 -0.113 3.847 3.960 0.000 0.000 0.222 2068 G HA3 -0.113 3.847 3.960 0.000 0.000 0.222 2068 G C -0.636 174.242 174.900 -0.038 0.000 1.364 2068 G CA -0.491 44.554 45.100 -0.091 0.000 0.866 2068 G HN 0.643 nan 8.290 nan 0.000 0.555 2069 I N 2.228 122.768 120.570 -0.051 0.000 2.371 2069 I HA 0.534 4.704 4.170 0.000 0.000 0.290 2069 I C 1.110 177.219 176.117 -0.014 0.000 1.028 2069 I CA 1.087 62.369 61.300 -0.029 0.000 1.345 2069 I CB 0.703 38.677 38.000 -0.043 0.000 1.407 2069 I HN 2.043 nan 8.210 nan 0.000 0.501 2070 G N 3.946 112.746 108.800 -0.000 0.000 2.699 2070 G HA2 -0.099 3.861 3.960 0.000 0.000 0.686 2070 G HA3 -0.099 3.861 3.960 0.000 0.000 0.686 2070 G C 0.562 175.466 174.900 0.007 0.000 1.301 2070 G CA -0.447 44.655 45.100 0.004 0.000 0.816 2070 G HN 0.928 nan 8.290 nan 0.000 0.595 2071 G N 0.218 109.020 108.800 0.004 0.000 2.446 2071 G HA2 0.075 4.035 3.960 0.000 0.000 0.217 2071 G HA3 0.075 4.035 3.960 0.000 0.000 0.217 2071 G C 0.151 175.053 174.900 0.004 0.000 1.168 2071 G CA 2.135 47.236 45.100 0.001 0.000 0.771 2071 G HN 0.699 nan 8.290 nan 0.000 0.551 2072 P HA -0.148 nan 4.420 nan 0.000 0.214 2072 P C 2.516 179.833 177.300 0.028 0.000 1.163 2072 P CA 2.469 65.564 63.100 -0.009 0.000 0.889 2072 P CB -0.260 31.428 31.700 -0.020 0.000 0.790 2073 S N -1.919 113.813 115.700 0.053 0.000 2.382 2073 S HA -0.150 4.320 4.470 0.000 0.000 0.228 2073 S C 1.974 176.692 174.600 0.196 0.000 1.027 2073 S CA 2.007 60.296 58.200 0.149 0.000 0.991 2073 S CB -2.003 61.240 63.200 0.072 0.000 0.823 2073 S HN 0.085 nan 8.310 nan 0.000 0.469 2074 T N 2.877 117.488 114.554 0.096 0.000 2.720 2074 T HA -0.113 4.237 4.350 0.000 0.000 0.268 2074 T C 2.319 177.006 174.700 -0.022 0.000 1.037 2074 T CA 1.880 64.010 62.100 0.049 0.000 1.144 2074 T CB -0.779 68.088 68.868 -0.000 0.000 0.864 2074 T HN 0.817 nan 8.240 nan 0.000 0.444 2075 S N 1.176 116.867 115.700 -0.015 0.000 2.399 2075 S HA -0.025 4.445 4.470 0.000 0.000 0.231 2075 S C 2.061 176.642 174.600 -0.031 0.000 1.022 2075 S CA 0.761 58.950 58.200 -0.018 0.000 0.983 2075 S CB -0.725 62.557 63.200 0.138 0.000 0.803 2075 S HN 0.507 nan 8.310 nan 0.000 0.480 2076 I N 1.969 122.501 120.570 -0.063 0.000 2.233 2076 I HA -0.080 4.090 4.170 0.000 0.000 0.243 2076 I C 3.074 179.032 176.117 -0.264 0.000 1.093 2076 I CA 1.085 62.274 61.300 -0.185 0.000 1.380 2076 I CB -0.612 37.185 38.000 -0.339 0.000 1.067 2076 I HN 0.433 nan 8.210 nan 0.000 0.413 2077 A N 0.370 123.026 122.820 -0.275 0.000 1.898 2077 A HA -0.127 4.193 4.320 0.000 0.000 0.216 2077 A C 2.393 179.906 177.584 -0.118 0.000 1.181 2077 A CA 1.573 53.450 52.037 -0.268 0.000 0.620 2077 A CB -0.870 18.091 19.000 -0.066 0.000 0.819 2077 A HN 0.231 nan 8.150 nan 0.000 0.442 2078 V N 0.216 120.024 119.914 -0.178 0.000 2.307 2078 V HA -0.230 3.890 4.120 0.000 0.000 0.245 2078 V C 2.597 178.581 176.094 -0.184 0.000 1.045 2078 V CA 2.357 64.442 62.300 -0.358 0.000 1.024 2078 V CB -0.783 30.652 31.823 -0.646 0.000 0.651 2078 V HN 0.741 nan 8.190 nan 0.000 0.449 2079 E N 1.077 121.207 120.200 -0.117 0.000 2.058 2079 E HA -0.261 4.089 4.350 0.000 0.000 0.194 2079 E C 2.080 178.699 176.600 0.033 0.000 0.997 2079 E CA 2.131 58.523 56.400 -0.013 0.000 0.801 2079 E CB -0.297 29.429 29.700 0.043 0.000 0.746 2079 E HN 0.688 nan 8.360 nan 0.000 0.450 2080 E N -0.313 119.893 120.200 0.009 0.000 2.158 2080 E HA -0.057 4.294 4.350 0.000 0.000 0.191 2080 E C 2.282 178.913 176.600 0.051 0.000 0.982 2080 E CA 0.742 57.158 56.400 0.026 0.000 0.823 2080 E CB -0.079 29.614 29.700 -0.011 0.000 0.766 2080 E HN 0.302 nan 8.360 nan 0.000 0.468 2081 L N 0.719 121.999 121.223 0.094 0.000 2.083 2081 L HA -0.163 4.177 4.340 0.000 0.000 0.209 2081 L C 2.586 179.575 176.870 0.198 0.000 1.083 2081 L CA 0.940 55.881 54.840 0.169 0.000 0.752 2081 L CB -0.431 41.823 42.059 0.325 0.000 0.899 2081 L HN 0.136 nan 8.230 nan 0.000 0.433 2082 A N -0.491 122.491 122.820 0.270 0.000 1.877 2082 A HA -0.258 4.062 4.320 0.000 0.000 0.216 2082 A C 2.213 179.862 177.584 0.109 0.000 1.186 2082 A CA 1.528 53.699 52.037 0.222 0.000 0.620 2082 A CB -0.508 18.607 19.000 0.191 0.000 0.822 2082 A HN 0.459 nan 8.150 nan 0.000 0.443 2083 Q N -0.709 119.141 119.800 0.084 0.000 2.197 2083 Q HA -0.126 4.214 4.340 0.000 0.000 0.207 2083 Q C 1.702 177.723 176.000 0.034 0.000 0.984 2083 Q CA 1.400 57.235 55.803 0.053 0.000 0.869 2083 Q CB -0.290 28.476 28.738 0.046 0.000 0.906 2083 Q HN 0.691 nan 8.270 nan 0.000 0.426 2084 L N -1.564 119.680 121.223 0.035 0.000 2.591 2084 L HA 0.126 4.466 4.340 0.000 0.000 0.228 2084 L C 1.200 178.074 176.870 0.007 0.000 1.133 2084 L CA 0.522 55.371 54.840 0.015 0.000 0.880 2084 L CB 0.359 42.426 42.059 0.014 0.000 1.033 2084 L HN 0.405 nan 8.230 nan 0.000 0.450 2085 G N -0.514 108.295 108.800 0.015 0.000 2.205 2085 G HA2 -0.170 3.790 3.960 0.000 0.000 0.180 2085 G HA3 -0.170 3.790 3.960 0.000 0.000 0.180 2085 G C 0.177 175.055 174.900 -0.036 0.000 1.004 2085 G CA -0.724 44.373 45.100 -0.004 0.000 0.670 2085 G HN 0.029 nan 8.290 nan 0.000 0.496 2086 I N 1.199 121.734 120.570 -0.058 0.000 2.588 2086 I HA 0.352 4.522 4.170 0.000 0.000 0.283 2086 I C 1.326 177.327 176.117 -0.193 0.000 1.119 2086 I CA 0.170 61.334 61.300 -0.226 0.000 1.419 2086 I CB 1.056 38.790 38.000 -0.442 0.000 1.394 2086 I HN 0.095 nan 8.210 nan 0.000 0.562 2087 R N 2.833 123.187 120.500 -0.243 0.000 2.469 2087 R HA 0.198 4.538 4.340 0.000 0.000 0.250 2087 R C -0.230 176.012 176.300 -0.098 0.000 0.909 2087 R CA 0.216 56.268 56.100 -0.081 0.000 1.050 2087 R CB 0.542 30.823 30.300 -0.032 0.000 1.256 2087 R HN 0.541 nan 8.270 nan 0.000 0.550 2088 T N 1.219 115.587 114.554 -0.310 0.000 2.848 2088 T HA 0.601 4.951 4.350 0.000 0.000 0.285 2088 T C -1.013 173.438 174.700 -0.414 0.000 0.995 2088 T CA -0.293 61.690 62.100 -0.195 0.000 0.970 2088 T CB 1.351 70.152 68.868 -0.111 0.000 0.976 2088 T HN -0.167 nan 8.240 nan 0.000 0.441 2089 F N 2.432 122.377 119.950 -0.007 0.000 2.518 2089 F HA 0.578 5.105 4.527 0.000 0.000 0.323 2089 F C -0.318 175.477 175.800 -0.008 0.000 1.129 2089 F CA -1.067 56.929 58.000 -0.008 0.000 0.920 2089 F CB 1.438 40.429 39.000 -0.015 0.000 1.160 2089 F HN 0.210 nan 8.300 nan 0.000 0.440 2090 L N 4.148 125.452 121.223 0.136 0.000 2.316 2090 L HA 0.519 4.859 4.340 0.000 0.000 0.280 2090 L C -0.118 176.800 176.870 0.079 0.000 1.006 2090 L CA -0.701 54.187 54.840 0.079 0.000 0.836 2090 L CB 1.805 43.881 42.059 0.029 0.000 1.221 2090 L HN 0.600 nan 8.230 nan 0.000 0.418 2091 R N 3.286 123.827 120.500 0.068 0.000 2.308 2091 R HA 0.530 4.870 4.340 0.000 0.000 0.305 2091 R C -0.985 175.335 176.300 0.034 0.000 1.053 2091 R CA -0.466 55.666 56.100 0.052 0.000 0.957 2091 R CB 1.203 31.527 30.300 0.041 0.000 1.022 2091 R HN 0.547 nan 8.270 nan 0.000 0.461 2092 I N 3.535 124.123 120.570 0.030 0.000 2.436 2092 I HA 0.643 4.813 4.170 0.000 0.000 0.289 2092 I C -0.768 175.361 176.117 0.019 0.000 1.010 2092 I CA -0.081 61.231 61.300 0.020 0.000 1.098 2092 I CB 1.968 39.975 38.000 0.012 0.000 1.266 2092 I HN 0.748 nan 8.210 nan 0.000 0.434 2093 G N 3.869 112.681 108.800 0.019 0.000 2.694 2093 G HA2 0.676 4.636 3.960 0.000 0.000 0.290 2093 G HA3 0.676 4.636 3.960 0.000 0.000 0.290 2093 G C -1.271 173.642 174.900 0.022 0.000 1.386 2093 G CA -0.423 44.689 45.100 0.020 0.000 0.872 2093 G HN 0.652 nan 8.290 nan 0.000 0.475 2094 T N -2.391 112.176 114.554 0.022 0.000 2.912 2094 T HA 0.780 5.130 4.350 0.000 0.000 0.288 2094 T C -0.395 174.325 174.700 0.033 0.000 1.030 2094 T CA -0.767 61.348 62.100 0.025 0.000 1.020 2094 T CB 2.158 71.039 68.868 0.021 0.000 1.056 2094 T HN 0.820 nan 8.240 nan 0.000 0.480 2095 T N 0.139 114.713 114.554 0.033 0.000 2.853 2095 T HA 0.669 5.019 4.350 0.000 0.000 0.311 2095 T C 0.426 175.146 174.700 0.033 0.000 1.307 2095 T CA -0.102 62.020 62.100 0.037 0.000 1.019 2095 T CB 1.250 70.137 68.868 0.031 0.000 1.264 2095 T HN 1.088 nan 8.240 nan 0.000 0.497 2096 G N 0.913 109.734 108.800 0.036 0.000 2.553 2096 G HA2 0.712 4.672 3.960 0.000 0.000 0.278 2096 G HA3 0.712 4.672 3.960 0.000 0.000 0.278 2096 G C -0.445 174.463 174.900 0.014 0.000 1.349 2096 G CA -0.036 45.080 45.100 0.027 0.000 1.037 2096 G HN 1.120 nan 8.290 nan 0.000 0.508 2097 A N -1.412 121.410 122.820 0.005 0.000 2.572 2097 A HA 0.588 4.908 4.320 0.000 0.000 0.295 2097 A C 0.132 177.704 177.584 -0.019 0.000 1.072 2097 A CA -0.300 51.723 52.037 -0.024 0.000 0.691 2097 A CB 1.211 20.185 19.000 -0.042 0.000 1.291 2097 A HN 1.277 nan 8.150 nan 0.000 0.404 2098 I N -2.436 118.104 120.570 -0.051 0.000 4.154 2098 I HA 0.309 4.479 4.170 0.000 0.000 0.334 2098 I C -0.407 175.693 176.117 -0.028 0.000 1.371 2098 I CA -0.120 61.161 61.300 -0.032 0.000 1.110 2098 I CB 0.450 38.407 38.000 -0.072 0.000 1.085 2098 I HN 0.319 nan 8.210 nan 0.000 0.398 2099 Q N 2.145 121.917 119.800 -0.046 0.000 2.290 2099 Q HA 0.372 4.712 4.340 0.000 0.000 0.259 2099 Q C -1.992 173.997 176.000 -0.018 0.000 0.941 2099 Q CA -1.967 53.814 55.803 -0.037 0.000 0.912 2099 Q CB 1.860 30.556 28.738 -0.070 0.000 1.244 2099 Q HN 0.029 nan 8.270 nan 0.000 0.441 2100 P HA -0.119 nan 4.420 nan 0.000 0.222 2100 P C 0.647 177.986 177.300 0.065 0.000 1.147 2100 P CA 1.188 64.311 63.100 0.039 0.000 0.790 2100 P CB 0.281 32.015 31.700 0.057 0.000 0.780 2101 H N -1.464 117.574 119.070 -0.053 0.000 2.547 2101 H HA 0.220 4.777 4.556 0.000 0.000 0.266 2101 H C 0.472 175.753 175.328 -0.078 0.000 0.988 2101 H CA 0.074 56.097 56.048 -0.042 0.000 1.147 2101 H CB -0.655 29.092 29.762 -0.025 0.000 1.365 2101 H HN 0.079 nan 8.280 nan 0.000 0.589 2102 I N 1.641 122.155 120.570 -0.095 0.000 2.304 2102 I HA 0.121 4.291 4.170 0.000 0.000 0.291 2102 I C -0.305 175.778 176.117 -0.057 0.000 1.018 2102 I CA -0.548 60.645 61.300 -0.179 0.000 1.260 2102 I CB 0.886 38.706 38.000 -0.300 0.000 1.390 2102 I HN 0.141 nan 8.210 nan 0.000 0.475 2103 N N 5.251 123.952 118.700 0.002 0.000 2.466 2103 N HA 0.326 5.066 4.740 0.000 0.000 0.294 2103 N C -0.488 175.025 175.510 0.005 0.000 1.129 2103 N CA -0.615 52.431 53.050 -0.008 0.000 0.931 2103 N CB 2.226 40.701 38.487 -0.019 0.000 1.193 2103 N HN 0.149 nan 8.380 nan 0.000 0.500 2104 V N 0.973 120.883 119.914 -0.008 0.000 2.644 2104 V HA 0.178 4.298 4.120 0.000 0.000 0.305 2104 V C 1.547 177.628 176.094 -0.022 0.000 1.053 2104 V CA 1.431 63.726 62.300 -0.009 0.000 1.186 2104 V CB 0.004 31.821 31.823 -0.011 0.000 0.895 2104 V HN 1.081 nan 8.190 nan 0.000 0.490 2105 G N 3.584 112.368 108.800 -0.027 0.000 2.232 2105 G HA2 -0.179 3.782 3.960 0.000 0.000 0.226 2105 G HA3 -0.179 3.782 3.960 0.000 0.000 0.226 2105 G C -0.040 174.825 174.900 -0.058 0.000 0.996 2105 G CA 0.017 45.075 45.100 -0.070 0.000 0.626 2105 G HN 0.670 nan 8.290 nan 0.000 0.509 2106 D N 0.028 120.433 120.400 0.008 0.000 2.360 2106 D HA 0.516 5.156 4.640 0.000 0.000 0.242 2106 D C 0.443 176.787 176.300 0.072 0.000 1.184 2106 D CA 0.089 54.124 54.000 0.058 0.000 0.930 2106 D CB 1.644 42.560 40.800 0.193 0.000 1.161 2106 D HN 0.212 nan 8.370 nan 0.000 0.447 2107 V N 1.551 121.511 119.914 0.076 0.000 2.495 2107 V HA 0.358 4.478 4.120 0.000 0.000 0.298 2107 V C -0.174 175.974 176.094 0.090 0.000 1.031 2107 V CA -0.737 61.607 62.300 0.073 0.000 0.871 2107 V CB 1.451 33.313 31.823 0.066 0.000 0.988 2107 V HN 0.266 nan 8.190 nan 0.000 0.432 2108 L N 5.321 126.594 121.223 0.083 0.000 2.313 2108 L HA 0.663 5.003 4.340 0.000 0.000 0.283 2108 L C -0.735 176.163 176.870 0.047 0.000 1.013 2108 L CA -0.798 54.093 54.840 0.084 0.000 0.816 2108 L CB 1.873 43.974 42.059 0.069 0.000 1.236 2108 L HN 0.314 nan 8.230 nan 0.000 0.419 2109 V N 1.788 121.727 119.914 0.040 0.000 2.384 2109 V HA 0.329 4.449 4.120 0.000 0.000 0.287 2109 V C 0.213 176.319 176.094 0.020 0.000 1.020 2109 V CA -0.399 61.913 62.300 0.020 0.000 0.850 2109 V CB 1.797 33.623 31.823 0.005 0.000 0.987 2109 V HN 0.736 nan 8.190 nan 0.000 0.436 2110 T N 3.261 117.822 114.554 0.012 0.000 2.744 2110 T HA 0.221 4.571 4.350 0.000 0.000 0.291 2110 T C 1.285 175.991 174.700 0.009 0.000 0.957 2110 T CA 0.156 62.260 62.100 0.007 0.000 1.002 2110 T CB 1.227 70.094 68.868 -0.001 0.000 0.919 2110 T HN 0.961 nan 8.240 nan 0.000 0.468 2111 T N 0.618 115.179 114.554 0.012 0.000 2.978 2111 T HA 0.498 4.848 4.350 0.000 0.000 0.262 2111 T C 0.716 175.424 174.700 0.014 0.000 1.063 2111 T CA 0.275 62.387 62.100 0.021 0.000 1.140 2111 T CB 0.177 69.062 68.868 0.029 0.000 0.886 2111 T HN 0.757 nan 8.240 nan 0.000 0.470 2112 A N -0.123 122.696 122.820 -0.002 0.000 2.586 2112 A HA 0.672 4.992 4.320 0.000 0.000 0.291 2112 A C -1.109 176.456 177.584 -0.031 0.000 1.062 2112 A CA -0.834 51.197 52.037 -0.011 0.000 0.666 2112 A CB 1.139 20.130 19.000 -0.015 0.000 1.281 2112 A HN 0.185 nan 8.150 nan 0.000 0.421 2113 S N -0.338 115.340 115.700 -0.035 0.000 2.526 2113 S HA 0.591 5.061 4.470 0.000 0.000 0.293 2113 S C -0.449 174.097 174.600 -0.089 0.000 1.092 2113 S CA -0.520 57.641 58.200 -0.065 0.000 0.980 2113 S CB 1.710 64.883 63.200 -0.044 0.000 1.048 2113 S HN 0.928 nan 8.310 nan 0.000 0.483 2114 V N 3.472 123.282 119.914 -0.174 0.000 2.479 2114 V HA 0.169 4.289 4.120 0.000 0.000 0.281 2114 V C 0.630 176.635 176.094 -0.148 0.000 1.031 2114 V CA 0.088 62.243 62.300 -0.242 0.000 1.038 2114 V CB -0.015 31.461 31.823 -0.577 0.000 0.981 2114 V HN 0.695 nan 8.190 nan 0.000 0.478 2115 R N 5.410 125.874 120.500 -0.060 0.000 2.891 2115 R HA 0.313 4.653 4.340 0.000 0.000 0.248 2115 R C 0.024 176.357 176.300 0.054 0.000 1.439 2115 R CA -0.121 55.987 56.100 0.013 0.000 1.288 2115 R CB 0.012 30.345 30.300 0.056 0.000 1.212 2115 R HN 0.666 nan 8.270 nan 0.000 0.605 2116 L N 1.970 123.229 121.223 0.059 0.000 2.912 2116 L HA 0.130 4.470 4.340 0.000 0.000 0.240 2116 L C 0.342 177.301 176.870 0.148 0.000 1.262 2116 L CA -0.250 54.693 54.840 0.172 0.000 1.058 2116 L CB -0.661 41.541 42.059 0.239 0.000 1.383 2116 L HN 0.501 nan 8.230 nan 0.000 0.512 2117 D N -1.298 119.165 120.400 0.105 0.000 2.650 2117 D HA 0.356 4.996 4.640 0.000 0.000 0.255 2117 D C 0.728 177.085 176.300 0.096 0.000 1.135 2117 D CA -0.207 53.842 54.000 0.081 0.000 1.099 2117 D CB 1.721 42.553 40.800 0.053 0.000 1.273 2117 D HN -0.083 nan 8.370 nan 0.000 0.628 2118 G N -1.435 107.408 108.800 0.072 0.000 2.707 2118 G HA2 0.275 4.235 3.960 0.000 0.000 0.198 2118 G HA3 0.275 4.235 3.960 0.000 0.000 0.198 2118 G C 1.245 176.184 174.900 0.066 0.000 1.065 2118 G CA 0.628 45.780 45.100 0.087 0.000 0.763 2118 G HN 0.615 nan 8.290 nan 0.000 0.625 2119 A N 1.828 124.634 122.820 -0.024 0.000 1.972 2119 A HA 0.004 4.325 4.320 0.000 0.000 0.219 2119 A C 2.658 180.355 177.584 0.189 0.000 1.169 2119 A CA 2.449 54.433 52.037 -0.089 0.000 0.635 2119 A CB -0.669 18.311 19.000 -0.034 0.000 0.810 2119 A HN 0.784 nan 8.150 nan 0.000 0.446 2120 S N 0.281 116.098 115.700 0.196 0.000 2.383 2120 S HA -0.131 4.339 4.470 0.000 0.000 0.229 2120 S C 1.725 176.493 174.600 0.280 0.000 1.030 2120 S CA 1.504 59.859 58.200 0.259 0.000 1.002 2120 S CB -0.775 62.515 63.200 0.151 0.000 0.829 2120 S HN 0.454 nan 8.310 nan 0.000 0.467 2121 L N 0.822 122.182 121.223 0.228 0.000 2.362 2121 L HA -0.018 4.322 4.340 0.000 0.000 0.219 2121 L C 2.361 179.301 176.870 0.117 0.000 1.134 2121 L CA 1.053 55.997 54.840 0.173 0.000 0.807 2121 L CB -0.687 41.466 42.059 0.156 0.000 0.927 2121 L HN 0.501 nan 8.230 nan 0.000 0.447 2122 H N -1.784 117.230 119.070 -0.093 0.000 2.547 2122 H HA 0.009 4.565 4.556 0.000 0.000 0.266 2122 H C 1.265 176.217 175.328 -0.627 0.000 0.988 2122 H CA 0.697 56.533 56.048 -0.353 0.000 1.147 2122 H CB 0.411 29.899 29.762 -0.456 0.000 1.365 2122 H HN 0.364 nan 8.280 nan 0.000 0.589 2123 F N -0.411 119.562 119.950 0.039 0.000 2.667 2123 F HA 0.433 4.960 4.527 0.000 0.000 0.288 2123 F C 0.832 176.547 175.800 -0.141 0.000 1.086 2123 F CA 0.027 57.994 58.000 -0.054 0.000 1.297 2123 F CB 1.068 40.026 39.000 -0.070 0.000 1.059 2123 F HN -0.038 nan 8.300 nan 0.000 0.624 2124 A N 0.338 123.180 122.820 0.037 0.000 2.594 2124 A HA 0.609 4.929 4.320 0.000 0.000 0.296 2124 A C -2.800 174.802 177.584 0.030 0.000 1.061 2124 A CA -1.330 50.656 52.037 -0.085 0.000 0.689 2124 A CB 0.622 19.392 19.000 -0.384 0.000 1.280 2124 A HN -0.178 nan 8.150 nan 0.000 0.406 2125 P HA 0.167 nan 4.420 nan 0.000 0.274 2125 P C 0.823 178.203 177.300 0.133 0.000 1.260 2125 P CA -0.262 62.885 63.100 0.079 0.000 0.793 2125 P CB 0.472 32.214 31.700 0.069 0.000 1.048 2126 M N 0.781 120.447 119.600 0.109 0.000 2.279 2126 M HA -0.157 4.323 4.480 0.000 0.000 0.264 2126 M C 1.825 178.200 176.300 0.125 0.000 1.062 2126 M CA 1.626 56.995 55.300 0.114 0.000 1.099 2126 M CB -1.181 31.471 32.600 0.087 0.000 1.394 2126 M HN 0.386 nan 8.290 nan 0.000 0.426 2127 E N -0.927 119.346 120.200 0.120 0.000 2.265 2127 E HA -0.199 4.151 4.350 0.000 0.000 0.196 2127 E C 0.398 177.070 176.600 0.120 0.000 0.996 2127 E CA 0.453 56.914 56.400 0.101 0.000 0.832 2127 E CB -0.979 28.773 29.700 0.086 0.000 0.756 2127 E HN 0.480 nan 8.360 nan 0.000 0.491 2128 F N 4.190 124.160 119.950 0.033 0.000 2.484 2128 F HA 0.185 4.712 4.527 0.000 0.000 0.360 2128 F C -2.002 173.816 175.800 0.030 0.000 1.101 2128 F CA -2.551 55.469 58.000 0.033 0.000 1.251 2128 F CB 0.680 39.706 39.000 0.042 0.000 1.132 2128 F HN -0.147 nan 8.300 nan 0.000 0.570 2129 P HA 0.164 nan 4.420 nan 0.000 0.281 2129 P C -1.266 176.034 177.300 0.000 0.000 1.252 2129 P CA -0.418 62.578 63.100 -0.173 0.000 0.778 2129 P CB 1.248 32.788 31.700 -0.267 0.000 0.895 2130 A N 4.039 126.900 122.820 0.069 0.000 3.026 2130 A HA 0.257 4.577 4.320 0.000 0.000 0.272 2130 A C 0.263 177.870 177.584 0.038 0.000 1.782 2130 A CA -0.261 51.829 52.037 0.089 0.000 1.451 2130 A CB -0.980 18.055 19.000 0.059 0.000 1.081 2130 A HN 0.470 nan 8.150 nan 0.000 0.611 2131 V N 1.936 121.873 119.914 0.038 0.000 2.532 2131 V HA 0.706 4.826 4.120 0.000 0.000 0.295 2131 V C 0.614 176.735 176.094 0.045 0.000 1.041 2131 V CA -0.239 62.072 62.300 0.018 0.000 0.926 2131 V CB 1.460 33.270 31.823 -0.022 0.000 0.992 2131 V HN 0.924 nan 8.190 nan 0.000 0.457 2132 A N 4.203 127.048 122.820 0.041 0.000 2.351 2132 A HA 0.381 4.701 4.320 0.000 0.000 0.257 2132 A C 0.079 177.707 177.584 0.074 0.000 1.087 2132 A CA -0.226 51.841 52.037 0.050 0.000 0.798 2132 A CB 0.126 19.147 19.000 0.036 0.000 1.033 2132 A HN 1.026 nan 8.150 nan 0.000 0.488 2133 D N 0.317 120.763 120.400 0.078 0.000 2.488 2133 D HA 0.041 4.681 4.640 0.000 0.000 0.238 2133 D C 0.714 177.082 176.300 0.114 0.000 1.138 2133 D CA 0.216 54.277 54.000 0.100 0.000 0.873 2133 D CB 0.116 40.965 40.800 0.082 0.000 1.183 2133 D HN 0.405 nan 8.370 nan 0.000 0.458 2134 F N 4.171 124.130 119.950 0.014 0.000 2.134 2134 F HA -0.119 4.408 4.527 0.000 0.000 0.299 2134 F C 1.982 177.787 175.800 0.009 0.000 1.097 2134 F CA 1.702 59.707 58.000 0.009 0.000 1.264 2134 F CB -0.340 38.663 39.000 0.005 0.000 1.001 2134 F HN 0.473 nan 8.300 nan 0.000 0.479 2135 A N -0.448 122.322 122.820 -0.083 0.000 1.902 2135 A HA -0.197 4.123 4.320 0.000 0.000 0.217 2135 A C 2.361 179.838 177.584 -0.177 0.000 1.181 2135 A CA 1.767 53.699 52.037 -0.174 0.000 0.623 2135 A CB -1.650 17.341 19.000 -0.015 0.000 0.818 2135 A HN 0.567 nan 8.150 nan 0.000 0.443 2136 C N -1.120 118.125 119.300 -0.092 0.000 2.432 2136 C HA -0.075 4.385 4.460 0.000 0.000 0.277 2136 C C 3.042 177.973 174.990 -0.098 0.000 1.249 2136 C CA 1.507 60.485 59.018 -0.067 0.000 1.725 2136 C CB -1.537 26.196 27.740 -0.012 0.000 2.028 2136 C HN 0.644 nan 8.230 nan 0.000 0.477 2137 T N 0.743 115.229 114.554 -0.114 0.000 2.720 2137 T HA -0.179 4.171 4.350 0.000 0.000 0.268 2137 T C 1.769 176.359 174.700 -0.184 0.000 1.037 2137 T CA 2.222 64.253 62.100 -0.116 0.000 1.144 2137 T CB -0.576 68.249 68.868 -0.072 0.000 0.864 2137 T HN 0.608 nan 8.240 nan 0.000 0.444 2138 T N 2.068 116.414 114.554 -0.347 0.000 2.652 2138 T HA -0.066 4.284 4.350 0.000 0.000 0.267 2138 T C 2.433 177.014 174.700 -0.198 0.000 1.039 2138 T CA 1.283 63.168 62.100 -0.357 0.000 1.153 2138 T CB -0.678 67.832 68.868 -0.596 0.000 0.863 2138 T HN 0.449 nan 8.240 nan 0.000 0.428 2139 A N 1.107 123.825 122.820 -0.171 0.000 1.908 2139 A HA -0.051 4.269 4.320 0.000 0.000 0.218 2139 A C 2.324 179.859 177.584 -0.081 0.000 1.181 2139 A CA 1.403 53.376 52.037 -0.107 0.000 0.627 2139 A CB -0.896 18.052 19.000 -0.087 0.000 0.818 2139 A HN 0.488 nan 8.150 nan 0.000 0.445 2140 L N -0.893 120.284 121.223 -0.077 0.000 2.056 2140 L HA -0.127 4.213 4.340 0.000 0.000 0.207 2140 L C 2.527 179.366 176.870 -0.052 0.000 1.078 2140 L CA 0.933 55.741 54.840 -0.054 0.000 0.749 2140 L CB -0.543 41.492 42.059 -0.040 0.000 0.901 2140 L HN 0.235 nan 8.230 nan 0.000 0.433 2141 V N -0.119 119.757 119.914 -0.063 0.000 2.343 2141 V HA -0.263 3.857 4.120 0.000 0.000 0.247 2141 V C 2.346 178.409 176.094 -0.051 0.000 1.051 2141 V CA 1.812 64.081 62.300 -0.052 0.000 1.036 2141 V CB -0.437 31.353 31.823 -0.055 0.000 0.654 2141 V HN 0.458 nan 8.190 nan 0.000 0.451 2142 E N -0.012 120.152 120.200 -0.061 0.000 2.208 2142 E HA -0.086 4.264 4.350 0.000 0.000 0.193 2142 E C 2.267 178.839 176.600 -0.048 0.000 0.988 2142 E CA 1.039 57.408 56.400 -0.051 0.000 0.828 2142 E CB -0.215 29.451 29.700 -0.056 0.000 0.763 2142 E HN 0.603 nan 8.360 nan 0.000 0.478 2143 A N 1.471 124.260 122.820 -0.052 0.000 1.929 2143 A HA 0.001 4.321 4.320 0.000 0.000 0.216 2143 A C 2.362 179.913 177.584 -0.055 0.000 1.176 2143 A CA 1.335 53.341 52.037 -0.052 0.000 0.628 2143 A CB -0.369 18.600 19.000 -0.052 0.000 0.816 2143 A HN 0.268 nan 8.150 nan 0.000 0.444 2144 A N 0.284 123.076 122.820 -0.046 0.000 1.877 2144 A HA -0.132 4.188 4.320 0.000 0.000 0.216 2144 A C 2.078 179.642 177.584 -0.034 0.000 1.186 2144 A CA 1.663 53.677 52.037 -0.038 0.000 0.620 2144 A CB -0.348 18.637 19.000 -0.024 0.000 0.822 2144 A HN 0.388 nan 8.150 nan 0.000 0.443 2145 K N 0.728 121.108 120.400 -0.033 0.000 2.057 2145 K HA -0.125 4.195 4.320 0.000 0.000 0.207 2145 K C 2.279 178.862 176.600 -0.028 0.000 1.049 2145 K CA 1.639 57.910 56.287 -0.028 0.000 0.931 2145 K CB -0.783 31.701 32.500 -0.026 0.000 0.714 2145 K HN 0.662 nan 8.250 nan 0.000 0.440 2146 S N 1.494 117.172 115.700 -0.036 0.000 2.474 2146 S HA -0.091 4.379 4.470 0.000 0.000 0.235 2146 S C 1.878 176.451 174.600 -0.045 0.000 0.997 2146 S CA 0.900 59.077 58.200 -0.037 0.000 0.949 2146 S CB -0.650 62.526 63.200 -0.040 0.000 0.766 2146 S HN 0.482 nan 8.310 nan 0.000 0.517 2147 I N -2.756 117.777 120.570 -0.061 0.000 3.976 2147 I HA 0.594 4.764 4.170 0.000 0.000 0.337 2147 I C 1.167 177.264 176.117 -0.033 0.000 1.359 2147 I CA 0.009 61.259 61.300 -0.084 0.000 1.098 2147 I CB -0.329 37.559 38.000 -0.186 0.000 1.027 2147 I HN 0.257 nan 8.210 nan 0.000 0.394 2148 G N 1.780 110.576 108.800 -0.006 0.000 2.198 2148 G HA2 -0.238 3.722 3.960 0.000 0.000 0.260 2148 G HA3 -0.238 3.722 3.960 0.000 0.000 0.260 2148 G C 0.382 175.325 174.900 0.072 0.000 1.025 2148 G CA 0.124 45.239 45.100 0.026 0.000 0.769 2148 G HN 0.980 nan 8.290 nan 0.000 0.507 2149 A N 0.012 122.880 122.820 0.081 0.000 2.388 2149 A HA 0.666 4.986 4.320 0.000 0.000 0.257 2149 A C 0.880 178.481 177.584 0.027 0.000 1.095 2149 A CA 0.801 52.921 52.037 0.139 0.000 0.791 2149 A CB 0.408 19.506 19.000 0.164 0.000 1.029 2149 A HN 0.828 nan 8.150 nan 0.000 0.489 2150 T N 2.750 117.301 114.554 -0.005 0.000 2.752 2150 T HA 0.440 4.790 4.350 0.000 0.000 0.295 2150 T C 0.483 175.088 174.700 -0.158 0.000 0.923 2150 T CA 0.626 62.672 62.100 -0.090 0.000 1.112 2150 T CB -0.215 68.606 68.868 -0.079 0.000 0.884 2150 T HN 0.900 nan 8.240 nan 0.000 0.525 2151 T N 1.178 115.580 114.554 -0.253 0.000 2.861 2151 T HA 0.461 4.811 4.350 0.000 0.000 0.287 2151 T C -0.970 173.490 174.700 -0.401 0.000 1.003 2151 T CA -1.041 60.923 62.100 -0.227 0.000 0.977 2151 T CB 1.194 70.008 68.868 -0.089 0.000 0.996 2151 T HN 0.565 nan 8.240 nan 0.000 0.448 2152 H N 1.629 120.709 119.070 0.015 0.000 2.489 2152 H HA 0.603 5.159 4.556 0.000 0.000 0.343 2152 H C -0.773 174.560 175.328 0.009 0.000 1.086 2152 H CA -0.651 55.405 56.048 0.015 0.000 1.198 2152 H CB 2.035 31.807 29.762 0.016 0.000 1.490 2152 H HN 0.488 nan 8.280 nan 0.000 0.504 2153 V N 2.311 122.289 119.914 0.107 0.000 2.448 2153 V HA 0.708 4.828 4.120 0.000 0.000 0.295 2153 V C 0.584 176.712 176.094 0.058 0.000 1.025 2153 V CA -0.185 62.152 62.300 0.060 0.000 0.859 2153 V CB 1.365 33.209 31.823 0.034 0.000 0.988 2153 V HN 1.115 nan 8.190 nan 0.000 0.431 2154 G N 3.242 112.065 108.800 0.039 0.000 2.404 2154 G HA2 0.342 4.302 3.960 0.000 0.000 0.253 2154 G HA3 0.342 4.302 3.960 0.000 0.000 0.253 2154 G C -1.499 173.401 174.900 0.001 0.000 1.253 2154 G CA -0.379 44.735 45.100 0.023 0.000 0.917 2154 G HN 0.536 nan 8.290 nan 0.000 0.480 2155 V N 0.955 120.859 119.914 -0.017 0.000 2.481 2155 V HA 0.662 4.783 4.120 0.000 0.000 0.286 2155 V C 0.272 176.319 176.094 -0.079 0.000 1.042 2155 V CA -0.124 62.148 62.300 -0.046 0.000 0.928 2155 V CB 1.327 33.120 31.823 -0.050 0.000 0.986 2155 V HN 0.793 nan 8.190 nan 0.000 0.462 2156 T N 3.607 118.104 114.554 -0.095 0.000 2.856 2156 T HA 0.676 5.026 4.350 0.000 0.000 0.283 2156 T C -0.074 174.513 174.700 -0.188 0.000 1.008 2156 T CA -0.309 61.717 62.100 -0.124 0.000 0.997 2156 T CB 1.689 70.516 68.868 -0.069 0.000 0.992 2156 T HN 0.900 nan 8.240 nan 0.000 0.454 2157 A N 1.970 124.632 122.820 -0.264 0.000 2.274 2157 A HA 0.642 4.962 4.320 0.000 0.000 0.309 2157 A C 0.276 177.814 177.584 -0.077 0.000 1.226 2157 A CA -0.507 51.341 52.037 -0.315 0.000 0.853 2157 A CB 0.542 19.187 19.000 -0.591 0.000 1.146 2157 A HN 0.633 nan 8.150 nan 0.000 0.518 2158 S N 2.003 117.661 115.700 -0.069 0.000 2.520 2158 S HA 0.509 4.979 4.470 0.000 0.000 0.324 2158 S C -0.163 174.445 174.600 0.013 0.000 1.069 2158 S CA -0.329 57.867 58.200 -0.007 0.000 1.121 2158 S CB 0.303 63.493 63.200 -0.018 0.000 0.971 2158 S HN 0.961 nan 8.310 nan 0.000 0.463 2159 S N 3.223 118.930 115.700 0.012 0.000 2.509 2159 S HA 0.359 4.829 4.470 0.000 0.000 0.297 2159 S C 0.419 174.996 174.600 -0.039 0.000 1.118 2159 S CA -0.607 57.572 58.200 -0.035 0.000 1.074 2159 S CB 1.145 64.248 63.200 -0.162 0.000 1.038 2159 S HN 0.706 nan 8.310 nan 0.000 0.498 2160 D N 2.040 122.425 120.400 -0.026 0.000 2.363 2160 D HA 0.109 4.750 4.640 0.000 0.000 0.226 2160 D C 0.700 176.984 176.300 -0.027 0.000 1.020 2160 D CA 0.761 54.755 54.000 -0.009 0.000 0.892 2160 D CB 0.199 41.013 40.800 0.023 0.000 0.900 2160 D HN 0.713 nan 8.370 nan 0.000 0.531 2161 T N -4.125 110.378 114.554 -0.086 0.000 2.906 2161 T HA 0.293 4.643 4.350 0.000 0.000 0.295 2161 T C 0.430 175.068 174.700 -0.103 0.000 1.061 2161 T CA -0.884 61.179 62.100 -0.062 0.000 1.000 2161 T CB 1.176 69.997 68.868 -0.079 0.000 1.103 2161 T HN -0.118 nan 8.240 nan 0.000 0.486 2162 F N 0.133 119.957 119.950 -0.209 0.000 2.473 2162 F HA 0.221 4.748 4.527 0.000 0.000 0.294 2162 F C 0.955 176.449 175.800 -0.510 0.000 1.103 2162 F CA 0.655 58.425 58.000 -0.383 0.000 1.442 2162 F CB 0.019 38.744 39.000 -0.458 0.000 1.097 2162 F HN 0.688 nan 8.300 nan 0.000 0.547 2163 Y N 0.645 120.892 120.300 -0.089 0.000 2.344 2163 Y HA 0.158 4.708 4.550 0.000 0.000 0.261 2163 Y C -0.529 175.189 175.900 -0.303 0.000 1.080 2163 Y CA 0.381 58.382 58.100 -0.165 0.000 1.151 2163 Y CB -1.826 36.629 38.460 -0.008 0.000 1.059 2163 Y HN -0.228 nan 8.280 nan 0.000 0.490 2164 P HA -0.062 nan 4.420 nan 0.000 0.221 2164 P C 1.412 178.413 177.300 -0.498 0.000 1.150 2164 P CA 2.038 64.994 63.100 -0.240 0.000 0.800 2164 P CB -0.144 31.479 31.700 -0.128 0.000 0.787 2165 G N 0.165 108.551 108.800 -0.689 0.000 2.534 2165 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 2165 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 2165 G C 1.325 175.742 174.900 -0.805 0.000 1.128 2165 G CA 0.224 44.618 45.100 -1.177 0.000 0.784 2165 G HN 0.368 nan 8.290 nan 0.000 0.542 2166 Q N -0.343 118.992 119.800 -0.774 0.000 2.201 2166 Q HA 0.204 4.544 4.340 0.000 0.000 0.217 2166 Q C -0.033 175.663 176.000 -0.507 0.000 0.860 2166 Q CA -0.276 54.869 55.803 -1.096 0.000 0.984 2166 Q CB 0.405 28.405 28.738 -1.230 0.000 1.095 2166 Q HN 0.578 nan 8.270 nan 0.000 0.477 2167 E N 1.748 121.750 120.200 -0.329 0.000 2.228 2167 E HA -0.235 4.115 4.350 0.000 0.000 0.213 2167 E C -0.943 175.472 176.600 -0.308 0.000 1.282 2167 E CA 0.185 56.437 56.400 -0.246 0.000 0.707 2167 E CB -0.338 29.359 29.700 -0.004 0.000 1.150 2167 E HN 0.359 nan 8.360 nan 0.000 0.362 2168 R N 0.052 120.361 120.500 -0.318 0.000 2.349 2168 R HA 0.243 4.583 4.340 0.000 0.000 0.299 2168 R C 0.264 176.427 176.300 -0.229 0.000 1.027 2168 R CA -0.226 55.778 56.100 -0.160 0.000 0.958 2168 R CB 0.547 30.823 30.300 -0.040 0.000 1.047 2168 R HN 0.207 nan 8.270 nan 0.000 0.468 2169 Y N -0.029 120.305 120.300 0.056 0.000 2.442 2169 Y HA -0.002 4.548 4.550 0.000 0.000 0.250 2169 Y C 0.683 176.608 175.900 0.042 0.000 1.113 2169 Y CA -0.329 57.797 58.100 0.043 0.000 1.273 2169 Y CB 0.568 39.044 38.460 0.028 0.000 1.138 2169 Y HN 0.563 nan 8.280 nan 0.000 0.522 2170 D N 1.267 121.783 120.400 0.195 0.000 2.801 2170 D HA 0.052 4.692 4.640 0.000 0.000 0.232 2170 D C 0.174 176.533 176.300 0.098 0.000 1.128 2170 D CA 0.231 54.317 54.000 0.143 0.000 1.003 2170 D CB -0.539 40.351 40.800 0.151 0.000 1.110 2170 D HN 0.230 nan 8.370 nan 0.000 0.477 2171 T N -3.894 110.687 114.554 0.046 0.000 2.804 2171 T HA 0.233 4.583 4.350 0.000 0.000 0.290 2171 T C 0.819 175.524 174.700 0.008 0.000 1.099 2171 T CA -0.966 61.108 62.100 -0.043 0.000 1.011 2171 T CB 0.858 69.673 68.868 -0.089 0.000 1.291 2171 T HN 0.073 nan 8.240 nan 0.000 0.523 2172 Y N 1.433 121.664 120.300 -0.114 0.000 2.128 2172 Y HA -0.175 4.375 4.550 0.000 0.000 0.284 2172 Y C 2.768 178.648 175.900 -0.033 0.000 1.154 2172 Y CA 2.732 60.790 58.100 -0.070 0.000 1.149 2172 Y CB -0.233 38.177 38.460 -0.083 0.000 0.976 2172 Y HN 0.751 nan 8.280 nan 0.000 0.505 2173 S N -1.255 114.361 115.700 -0.140 0.000 2.458 2173 S HA 0.165 4.635 4.470 0.000 0.000 0.223 2173 S C 1.808 176.351 174.600 -0.096 0.000 1.019 2173 S CA 0.533 58.619 58.200 -0.191 0.000 0.937 2173 S CB -0.272 62.909 63.200 -0.031 0.000 0.788 2173 S HN 0.946 nan 8.310 nan 0.000 0.511 2174 G N 1.619 110.408 108.800 -0.019 0.000 2.155 2174 G HA2 -0.323 3.637 3.960 0.000 0.000 0.257 2174 G HA3 -0.323 3.637 3.960 0.000 0.000 0.257 2174 G C 0.026 175.025 174.900 0.164 0.000 0.983 2174 G CA 0.472 45.615 45.100 0.072 0.000 0.676 2174 G HN 0.839 nan 8.290 nan 0.000 0.528 2175 R N -0.574 119.984 120.500 0.097 0.000 2.664 2175 R HA 0.708 5.048 4.340 0.000 0.000 0.286 2175 R C -0.940 175.389 176.300 0.050 0.000 0.967 2175 R CA -0.634 55.536 56.100 0.116 0.000 0.933 2175 R CB 1.807 32.145 30.300 0.064 0.000 1.146 2175 R HN 0.145 nan 8.270 nan 0.000 0.468 2176 V N 4.239 124.196 119.914 0.072 0.000 2.577 2176 V HA 0.228 4.348 4.120 0.000 0.000 0.303 2176 V C 0.011 176.162 176.094 0.095 0.000 1.042 2176 V CA -0.910 61.387 62.300 -0.006 0.000 0.872 2176 V CB 1.678 33.375 31.823 -0.211 0.000 0.998 2176 V HN 0.676 nan 8.190 nan 0.000 0.423 2177 V N 5.680 125.665 119.914 0.119 0.000 3.032 2177 V HA 0.060 4.180 4.120 0.000 0.000 0.307 2177 V C 1.857 178.016 176.094 0.107 0.000 1.097 2177 V CA 0.745 63.117 62.300 0.121 0.000 1.191 2177 V CB 0.938 32.850 31.823 0.148 0.000 0.964 2177 V HN 0.975 nan 8.190 nan 0.000 0.494 2178 R N 3.347 123.882 120.500 0.058 0.000 2.113 2178 R HA -0.228 4.112 4.340 0.000 0.000 0.244 2178 R C 2.319 178.605 176.300 -0.025 0.000 1.142 2178 R CA 2.548 58.662 56.100 0.024 0.000 0.953 2178 R CB -0.377 29.926 30.300 0.005 0.000 0.860 2178 R HN 0.839 nan 8.270 nan 0.000 0.438 2179 R N -0.603 119.844 120.500 -0.089 0.000 2.133 2179 R HA -0.182 4.158 4.340 0.000 0.000 0.247 2179 R C 1.385 177.443 176.300 -0.404 0.000 1.151 2179 R CA 2.112 58.034 56.100 -0.296 0.000 0.971 2179 R CB -0.234 29.793 30.300 -0.455 0.000 0.866 2179 R HN 0.318 nan 8.270 nan 0.000 0.447 2180 F N 0.056 120.025 119.950 0.032 0.000 2.695 2180 F HA 0.244 4.771 4.527 0.000 0.000 0.303 2180 F C 0.549 176.353 175.800 0.008 0.000 1.091 2180 F CA -0.474 57.544 58.000 0.031 0.000 1.300 2180 F CB 0.409 39.427 39.000 0.030 0.000 1.071 2180 F HN -0.161 nan 8.300 nan 0.000 0.578 2181 K N 0.629 121.113 120.400 0.141 0.000 2.412 2181 K HA 0.332 4.652 4.320 0.000 0.000 0.284 2181 K C 1.179 177.822 176.600 0.072 0.000 1.046 2181 K CA 0.986 57.356 56.287 0.139 0.000 0.999 2181 K CB 0.236 32.811 32.500 0.125 0.000 0.941 2181 K HN 0.313 nan 8.250 nan 0.000 0.474 2182 G N 2.418 111.275 108.800 0.095 0.000 2.184 2182 G HA2 -0.358 3.602 3.960 0.000 0.000 0.264 2182 G HA3 -0.358 3.602 3.960 0.000 0.000 0.264 2182 G C 0.872 175.730 174.900 -0.070 0.000 0.975 2182 G CA 0.877 45.987 45.100 0.018 0.000 0.642 2182 G HN 0.770 nan 8.290 nan 0.000 0.536 2183 S N -0.544 115.121 115.700 -0.057 0.000 2.383 2183 S HA 0.018 4.488 4.470 0.000 0.000 0.227 2183 S C 2.263 176.654 174.600 -0.349 0.000 1.026 2183 S CA 1.688 59.721 58.200 -0.278 0.000 0.981 2183 S CB -0.303 62.913 63.200 0.026 0.000 0.818 2183 S HN 0.649 nan 8.310 nan 0.000 0.472 2184 M N 1.435 121.066 119.600 0.051 0.000 2.080 2184 M HA -0.134 4.346 4.480 0.000 0.000 0.260 2184 M C 2.523 178.848 176.300 0.042 0.000 1.068 2184 M CA 2.064 57.479 55.300 0.193 0.000 1.109 2184 M CB -0.289 32.469 32.600 0.263 0.000 1.342 2184 M HN 0.351 nan 8.290 nan 0.000 0.405 2185 E N 0.616 120.811 120.200 -0.008 0.000 2.118 2185 E HA -0.242 4.108 4.350 0.000 0.000 0.195 2185 E C 1.574 178.124 176.600 -0.083 0.000 0.992 2185 E CA 1.852 58.236 56.400 -0.027 0.000 0.804 2185 E CB -0.177 29.509 29.700 -0.024 0.000 0.741 2185 E HN 0.682 nan 8.360 nan 0.000 0.458 2186 E N -0.564 119.505 120.200 -0.218 0.000 2.051 2186 E HA -0.178 4.172 4.350 0.000 0.000 0.192 2186 E C 2.120 178.613 176.600 -0.178 0.000 0.991 2186 E CA 1.471 57.690 56.400 -0.302 0.000 0.799 2186 E CB -0.385 28.984 29.700 -0.552 0.000 0.748 2186 E HN 0.431 nan 8.360 nan 0.000 0.449 2187 W N 1.443 122.750 121.300 0.011 0.000 2.358 2187 W HA -0.177 4.483 4.660 -0.000 0.000 0.303 2187 W C 2.503 178.987 176.519 -0.059 0.000 1.208 2187 W CA 0.259 57.583 57.345 -0.035 0.000 1.274 2187 W CB -0.212 29.194 29.460 -0.089 0.000 1.138 2187 W HN 0.105 nan 8.180 nan 0.000 0.515 2188 Q N 0.473 120.358 119.800 0.141 0.000 2.061 2188 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 2188 Q C 2.509 178.535 176.000 0.043 0.000 0.984 2188 Q CA 1.960 57.799 55.803 0.060 0.000 0.846 2188 Q CB -0.636 28.122 28.738 0.034 0.000 0.902 2188 Q HN 0.340 nan 8.270 nan 0.000 0.421 2189 A N 0.358 123.197 122.820 0.031 0.000 2.019 2189 A HA -0.129 4.191 4.320 0.000 0.000 0.219 2189 A C 1.820 179.425 177.584 0.036 0.000 1.164 2189 A CA 1.202 53.249 52.037 0.017 0.000 0.644 2189 A CB -0.326 18.671 19.000 -0.005 0.000 0.805 2189 A HN 0.320 nan 8.150 nan 0.000 0.449 2190 M N -1.241 118.405 119.600 0.076 0.000 2.561 2190 M HA 0.188 4.668 4.480 0.000 0.000 0.238 2190 M C 1.250 177.593 176.300 0.073 0.000 1.131 2190 M CA 0.719 56.075 55.300 0.094 0.000 1.046 2190 M CB 0.281 32.987 32.600 0.177 0.000 1.532 2190 M HN 0.599 nan 8.290 nan 0.000 0.497 2191 G N 0.680 109.511 108.800 0.052 0.000 2.141 2191 G HA2 -0.200 3.761 3.960 0.000 0.000 0.242 2191 G HA3 -0.200 3.761 3.960 0.000 0.000 0.242 2191 G C 0.041 174.944 174.900 0.006 0.000 0.982 2191 G CA -0.261 44.853 45.100 0.022 0.000 0.662 2191 G HN 0.309 nan 8.290 nan 0.000 0.527 2192 V N 1.703 121.626 119.914 0.015 0.000 2.585 2192 V HA 0.206 4.327 4.120 0.000 0.000 0.296 2192 V C 1.871 177.915 176.094 -0.083 0.000 1.035 2192 V CA 1.010 63.280 62.300 -0.049 0.000 1.084 2192 V CB 1.240 33.016 31.823 -0.077 0.000 0.953 2192 V HN 0.401 nan 8.190 nan 0.000 0.483 2193 M N 3.251 122.793 119.600 -0.097 0.000 2.236 2193 M HA 0.075 4.555 4.480 0.000 0.000 0.266 2193 M C 0.676 176.902 176.300 -0.124 0.000 1.070 2193 M CA 1.102 56.344 55.300 -0.098 0.000 1.137 2193 M CB 0.004 32.566 32.600 -0.064 0.000 1.378 2193 M HN 0.974 nan 8.290 nan 0.000 0.426 2194 N N -1.951 116.646 118.700 -0.172 0.000 3.348 2194 N HA 0.097 4.837 4.740 0.000 0.000 0.233 2194 N C -2.038 173.329 175.510 -0.238 0.000 1.440 2194 N CA -0.665 52.287 53.050 -0.164 0.000 0.887 2194 N CB 1.002 39.451 38.487 -0.062 0.000 1.410 2194 N HN -0.108 nan 8.380 nan 0.000 0.502 2195 Y N 0.005 120.265 120.300 -0.066 0.000 2.387 2195 Y HA 0.498 5.048 4.550 0.000 0.000 0.336 2195 Y C 0.530 176.385 175.900 -0.076 0.000 1.067 2195 Y CA -0.062 57.983 58.100 -0.093 0.000 1.114 2195 Y CB 1.493 39.881 38.460 -0.120 0.000 1.208 2195 Y HN 0.787 nan 8.280 nan 0.000 0.458 2196 E N -0.155 120.112 120.200 0.112 0.000 2.391 2196 E HA 0.527 4.877 4.350 0.000 0.000 0.256 2196 E C -0.922 175.702 176.600 0.040 0.000 0.975 2196 E CA -0.744 55.693 56.400 0.061 0.000 0.881 2196 E CB 1.155 30.879 29.700 0.039 0.000 1.728 2196 E HN 0.461 nan 8.360 nan 0.000 0.446 2197 M N -0.634 118.984 119.600 0.029 0.000 2.289 2197 M HA 0.335 4.815 4.480 0.000 0.000 0.335 2197 M C -0.079 176.228 176.300 0.011 0.000 0.961 2197 M CA 0.248 55.558 55.300 0.018 0.000 1.018 2197 M CB 0.680 33.296 32.600 0.027 0.000 1.678 2197 M HN 0.504 nan 8.290 nan 0.000 0.589 2198 E N -0.621 119.584 120.200 0.009 0.000 2.500 2198 E HA 0.066 4.416 4.350 0.000 0.000 0.217 2198 E C 1.812 178.406 176.600 -0.010 0.000 0.848 2198 E CA 0.537 56.938 56.400 0.001 0.000 1.217 2198 E CB 0.474 30.177 29.700 0.005 0.000 1.217 2198 E HN 0.303 nan 8.360 nan 0.000 0.573 2199 S N 0.672 116.368 115.700 -0.007 0.000 2.387 2199 S HA -0.020 4.450 4.470 0.000 0.000 0.226 2199 S C 2.218 176.808 174.600 -0.017 0.000 1.026 2199 S CA 0.811 59.003 58.200 -0.014 0.000 0.972 2199 S CB -0.178 63.017 63.200 -0.009 0.000 0.814 2199 S HN 0.211 nan 8.310 nan 0.000 0.477 2200 A N 1.889 124.704 122.820 -0.009 0.000 1.908 2200 A HA -0.053 4.267 4.320 0.000 0.000 0.218 2200 A C 2.417 180.003 177.584 0.003 0.000 1.181 2200 A CA 2.209 54.249 52.037 0.005 0.000 0.627 2200 A CB -1.695 17.314 19.000 0.015 0.000 0.818 2200 A HN 0.580 nan 8.150 nan 0.000 0.445 2201 T N 0.004 114.551 114.554 -0.011 0.000 2.668 2201 T HA -0.120 4.231 4.350 0.000 0.000 0.262 2201 T C 1.875 176.489 174.700 -0.143 0.000 1.045 2201 T CA 1.457 63.532 62.100 -0.042 0.000 1.152 2201 T CB -0.480 68.374 68.868 -0.022 0.000 0.864 2201 T HN 0.327 nan 8.240 nan 0.000 0.419 2202 L N 1.201 122.347 121.223 -0.129 0.000 1.990 2202 L HA -0.073 4.268 4.340 0.000 0.000 0.213 2202 L C 2.210 178.987 176.870 -0.154 0.000 1.072 2202 L CA 1.758 56.492 54.840 -0.177 0.000 0.755 2202 L CB -0.793 41.198 42.059 -0.114 0.000 0.889 2202 L HN 0.265 nan 8.230 nan 0.000 0.432 2203 L N -1.525 119.655 121.223 -0.071 0.000 2.056 2203 L HA -0.173 4.167 4.340 0.000 0.000 0.207 2203 L C 2.321 179.193 176.870 0.004 0.000 1.078 2203 L CA 1.634 56.462 54.840 -0.020 0.000 0.749 2203 L CB -1.199 40.867 42.059 0.012 0.000 0.901 2203 L HN 0.304 nan 8.230 nan 0.000 0.433 2204 T N 0.666 115.220 114.554 -0.000 0.000 2.737 2204 T HA -0.186 4.164 4.350 0.000 0.000 0.265 2204 T C 1.873 176.502 174.700 -0.118 0.000 1.038 2204 T CA 1.799 63.927 62.100 0.048 0.000 1.144 2204 T CB -0.242 68.682 68.868 0.092 0.000 0.866 2204 T HN 0.436 nan 8.240 nan 0.000 0.434 2205 M N 0.336 119.720 119.600 -0.359 0.000 2.229 2205 M HA -0.007 4.473 4.480 0.000 0.000 0.264 2205 M C 2.159 178.233 176.300 -0.377 0.000 1.063 2205 M CA 1.444 56.326 55.300 -0.697 0.000 1.114 2205 M CB -1.115 30.595 32.600 -1.482 0.000 1.387 2205 M HN 0.182 nan 8.290 nan 0.000 0.420 2206 C N 1.277 120.432 119.300 -0.242 0.000 2.500 2206 C HA 0.212 4.672 4.460 0.000 0.000 0.279 2206 C C 3.263 178.252 174.990 -0.001 0.000 1.288 2206 C CA 0.873 59.825 59.018 -0.110 0.000 1.710 2206 C CB -1.082 26.620 27.740 -0.063 0.000 2.052 2206 C HN 0.754 nan 8.230 nan 0.000 0.488 2207 A N 1.070 123.925 122.820 0.058 0.000 2.067 2207 A HA -0.098 4.223 4.320 0.000 0.000 0.219 2207 A C 2.131 179.839 177.584 0.207 0.000 1.158 2207 A CA 1.963 54.109 52.037 0.182 0.000 0.661 2207 A CB -0.540 18.639 19.000 0.298 0.000 0.801 2207 A HN 0.697 nan 8.150 nan 0.000 0.452 2208 S N -1.912 113.790 115.700 0.004 0.000 2.556 2208 S HA 0.172 4.642 4.470 0.000 0.000 0.216 2208 S C 0.951 175.510 174.600 -0.069 0.000 0.970 2208 S CA 0.231 58.318 58.200 -0.188 0.000 0.912 2208 S CB 0.095 62.968 63.200 -0.544 0.000 0.790 2208 S HN 0.624 nan 8.310 nan 0.000 0.504 2209 Q N 0.042 119.831 119.800 -0.017 0.000 2.093 2209 Q HA 0.342 4.682 4.340 0.000 0.000 0.217 2209 Q C 0.794 176.815 176.000 0.036 0.000 0.785 2209 Q CA 0.138 55.945 55.803 0.007 0.000 1.038 2209 Q CB 1.150 29.882 28.738 -0.009 0.000 1.190 2209 Q HN 0.637 nan 8.270 nan 0.000 0.468 2210 G N 1.324 110.155 108.800 0.053 0.000 2.162 2210 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 2210 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 2210 G C 0.011 174.958 174.900 0.078 0.000 0.976 2210 G CA 0.115 45.255 45.100 0.066 0.000 0.655 2210 G HN 0.244 nan 8.290 nan 0.000 0.533 2211 L N 0.060 121.337 121.223 0.089 0.000 2.343 2211 L HA 0.618 4.958 4.340 0.000 0.000 0.275 2211 L C 1.046 177.999 176.870 0.139 0.000 1.056 2211 L CA -1.008 53.918 54.840 0.143 0.000 0.804 2211 L CB 1.031 43.212 42.059 0.204 0.000 1.203 2211 L HN 0.048 nan 8.230 nan 0.000 0.440 2212 R N 1.876 122.467 120.500 0.153 0.000 2.297 2212 R HA 0.745 5.085 4.340 0.000 0.000 0.308 2212 R C -0.690 175.712 176.300 0.170 0.000 1.029 2212 R CA -0.462 55.712 56.100 0.124 0.000 0.929 2212 R CB 1.526 31.872 30.300 0.077 0.000 1.046 2212 R HN 0.730 nan 8.270 nan 0.000 0.461 2213 A N 1.485 124.380 122.820 0.125 0.000 2.475 2213 A HA 0.847 5.167 4.320 0.000 0.000 0.301 2213 A C -0.746 176.880 177.584 0.071 0.000 1.059 2213 A CA -0.657 51.453 52.037 0.122 0.000 0.710 2213 A CB 2.253 21.303 19.000 0.083 0.000 1.288 2213 A HN 0.767 nan 8.150 nan 0.000 0.408 2214 G N -0.234 108.604 108.800 0.063 0.000 2.690 2214 G HA2 0.658 4.618 3.960 0.000 0.000 0.291 2214 G HA3 0.658 4.618 3.960 0.000 0.000 0.291 2214 G C -1.255 173.664 174.900 0.031 0.000 1.403 2214 G CA -0.409 44.710 45.100 0.033 0.000 0.864 2214 G HN 1.133 nan 8.290 nan 0.000 0.480 2215 M N 1.474 121.085 119.600 0.018 0.000 2.322 2215 M HA 0.675 5.155 4.480 0.000 0.000 0.286 2215 M C -1.943 174.365 176.300 0.013 0.000 1.111 2215 M CA -0.815 54.495 55.300 0.018 0.000 0.941 2215 M CB 2.254 34.863 32.600 0.015 0.000 1.671 2215 M HN 0.636 nan 8.290 nan 0.000 0.470 2216 V N 4.098 124.021 119.914 0.014 0.000 2.823 2216 V HA 1.038 5.158 4.120 0.000 0.000 0.312 2216 V C -1.425 174.681 176.094 0.021 0.000 1.072 2216 V CA -0.088 62.221 62.300 0.015 0.000 0.937 2216 V CB 1.988 33.816 31.823 0.009 0.000 1.013 2216 V HN 1.044 nan 8.190 nan 0.000 0.430 2217 A N 3.732 126.569 122.820 0.028 0.000 2.486 2217 A HA 0.876 5.196 4.320 0.000 0.000 0.300 2217 A C -0.226 177.382 177.584 0.040 0.000 1.048 2217 A CA -0.129 51.926 52.037 0.031 0.000 0.696 2217 A CB 1.793 20.809 19.000 0.028 0.000 1.278 2217 A HN 1.518 nan 8.150 nan 0.000 0.405 2218 G N 0.265 109.088 108.800 0.039 0.000 2.338 2218 G HA2 0.519 4.479 3.960 0.000 0.000 0.298 2218 G HA3 0.519 4.479 3.960 0.000 0.000 0.298 2218 G C -0.437 174.483 174.900 0.033 0.000 1.140 2218 G CA -0.315 44.810 45.100 0.042 0.000 0.860 2218 G HN 0.910 nan 8.290 nan 0.000 0.470 2219 V N 3.810 123.744 119.914 0.033 0.000 2.455 2219 V HA 0.144 4.264 4.120 0.000 0.000 0.273 2219 V C 1.267 177.370 176.094 0.014 0.000 1.045 2219 V CA 0.010 62.325 62.300 0.025 0.000 0.976 2219 V CB 0.703 32.544 31.823 0.030 0.000 0.993 2219 V HN 0.784 nan 8.190 nan 0.000 0.475 2220 I N 3.008 123.588 120.570 0.016 0.000 4.187 2220 I HA 0.504 4.674 4.170 0.000 0.000 0.326 2220 I C 0.295 176.420 176.117 0.013 0.000 1.302 2220 I CA 0.335 61.642 61.300 0.012 0.000 1.196 2220 I CB 1.018 39.028 38.000 0.016 0.000 1.095 2220 I HN 0.423 nan 8.210 nan 0.000 0.411 2221 V N 1.201 121.125 119.914 0.017 0.000 3.178 2221 V HA 0.547 4.667 4.120 0.000 0.000 0.302 2221 V C -1.854 174.248 176.094 0.014 0.000 1.262 2221 V CA -0.542 61.769 62.300 0.018 0.000 1.030 2221 V CB 2.465 34.304 31.823 0.028 0.000 1.074 2221 V HN 0.395 nan 8.190 nan 0.000 0.438 2222 N N 2.413 121.121 118.700 0.013 0.000 2.571 2222 N HA 0.327 5.067 4.740 0.000 0.000 0.286 2222 N C 0.671 176.191 175.510 0.017 0.000 1.138 2222 N CA -0.415 52.642 53.050 0.010 0.000 0.859 2222 N CB 1.851 40.338 38.487 0.000 0.000 1.414 2222 N HN 0.773 nan 8.380 nan 0.000 0.529 2223 R N 0.817 121.331 120.500 0.024 0.000 2.189 2223 R HA -0.065 4.276 4.340 0.000 0.000 0.223 2223 R C 0.986 177.306 176.300 0.033 0.000 1.092 2223 R CA 1.780 57.898 56.100 0.031 0.000 0.989 2223 R CB -0.649 29.673 30.300 0.036 0.000 0.876 2223 R HN 0.464 nan 8.270 nan 0.000 0.457 2224 T N -2.435 112.136 114.554 0.029 0.000 3.088 2224 T HA 0.024 4.374 4.350 0.000 0.000 0.259 2224 T C 0.678 175.391 174.700 0.021 0.000 1.122 2224 T CA 0.071 62.187 62.100 0.027 0.000 1.095 2224 T CB 0.123 69.006 68.868 0.025 0.000 0.930 2224 T HN 0.297 nan 8.240 nan 0.000 0.508 2225 Q N 0.974 120.784 119.800 0.017 0.000 2.226 2225 Q HA 0.391 4.731 4.340 0.000 0.000 0.256 2225 Q C -0.011 175.997 176.000 0.014 0.000 0.962 2225 Q CA -0.974 54.837 55.803 0.012 0.000 0.887 2225 Q CB 1.189 29.930 28.738 0.005 0.000 1.282 2225 Q HN 0.227 nan 8.270 nan 0.000 0.449 2240 H N 2.511 121.572 119.070 -0.014 0.000 2.290 2240 H HA 0.148 4.704 4.556 0.000 0.000 0.298 2240 H C 2.186 177.506 175.328 -0.014 0.000 1.087 2240 H CA 2.331 58.371 56.048 -0.014 0.000 1.291 2240 H CB -0.192 29.564 29.762 -0.011 0.000 1.369 2240 H HN 0.450 nan 8.280 nan 0.000 0.492 2241 A N -0.347 122.539 122.820 0.110 0.000 1.968 2241 A HA -0.079 4.241 4.320 0.000 0.000 0.217 2241 A C 2.587 180.176 177.584 0.007 0.000 1.169 2241 A CA 1.391 53.456 52.037 0.048 0.000 0.638 2241 A CB -0.611 18.419 19.000 0.050 0.000 0.812 2241 A HN 0.284 nan 8.150 nan 0.000 0.446 2242 V N 0.227 120.142 119.914 0.003 0.000 2.358 2242 V HA -0.269 3.851 4.120 0.000 0.000 0.246 2242 V C 2.374 178.447 176.094 -0.035 0.000 1.047 2242 V CA 2.262 64.552 62.300 -0.017 0.000 1.035 2242 V CB -0.735 31.076 31.823 -0.020 0.000 0.658 2242 V HN 0.524 nan 8.190 nan 0.000 0.452 2243 K N -0.075 120.294 120.400 -0.052 0.000 2.063 2243 K HA -0.141 4.180 4.320 0.000 0.000 0.208 2243 K C 2.064 178.620 176.600 -0.075 0.000 1.048 2243 K CA 1.719 57.960 56.287 -0.077 0.000 0.928 2243 K CB -0.346 32.077 32.500 -0.128 0.000 0.713 2243 K HN 0.400 nan 8.250 nan 0.000 0.442 2244 I N 0.237 120.763 120.570 -0.074 0.000 2.179 2244 I HA -0.270 3.900 4.170 0.000 0.000 0.242 2244 I C 2.367 178.459 176.117 -0.041 0.000 1.088 2244 I CA 0.932 62.197 61.300 -0.059 0.000 1.357 2244 I CB -0.272 37.703 38.000 -0.043 0.000 1.051 2244 I HN 0.002 nan 8.210 nan 0.000 0.409 2245 V N 0.433 120.330 119.914 -0.029 0.000 2.407 2245 V HA -0.204 3.916 4.120 0.000 0.000 0.248 2245 V C 2.359 178.437 176.094 -0.026 0.000 1.055 2245 V CA 1.696 63.983 62.300 -0.022 0.000 1.049 2245 V CB 0.129 31.946 31.823 -0.010 0.000 0.662 2245 V HN 0.217 nan 8.190 nan 0.000 0.455 2246 V N 0.122 120.018 119.914 -0.031 0.000 2.307 2246 V HA -0.191 3.929 4.120 0.000 0.000 0.245 2246 V C 2.510 178.584 176.094 -0.034 0.000 1.045 2246 V CA 2.203 64.484 62.300 -0.031 0.000 1.024 2246 V CB -0.707 31.096 31.823 -0.033 0.000 0.651 2246 V HN 0.695 nan 8.190 nan 0.000 0.449 2247 E N 1.157 121.332 120.200 -0.041 0.000 2.110 2247 E HA -0.178 4.172 4.350 0.000 0.000 0.193 2247 E C 2.073 178.649 176.600 -0.040 0.000 0.988 2247 E CA 1.722 58.097 56.400 -0.042 0.000 0.804 2247 E CB -0.486 29.183 29.700 -0.051 0.000 0.745 2247 E HN 0.492 nan 8.360 nan 0.000 0.458 2248 A N 0.886 123.682 122.820 -0.041 0.000 1.902 2248 A HA -0.046 4.274 4.320 0.000 0.000 0.217 2248 A C 2.476 180.037 177.584 -0.039 0.000 1.181 2248 A CA 2.097 54.109 52.037 -0.042 0.000 0.623 2248 A CB -1.088 17.888 19.000 -0.040 0.000 0.818 2248 A HN 0.415 nan 8.150 nan 0.000 0.443 2249 A N 0.898 123.698 122.820 -0.034 0.000 1.908 2249 A HA -0.212 4.108 4.320 0.000 0.000 0.218 2249 A C 2.223 179.787 177.584 -0.033 0.000 1.181 2249 A CA 1.826 53.843 52.037 -0.033 0.000 0.627 2249 A CB -0.580 18.403 19.000 -0.029 0.000 0.818 2249 A HN 0.734 nan 8.150 nan 0.000 0.445 2250 R N -0.529 119.953 120.500 -0.030 0.000 2.189 2250 R HA -0.036 4.304 4.340 0.000 0.000 0.223 2250 R C 1.760 178.043 176.300 -0.028 0.000 1.092 2250 R CA 1.350 57.434 56.100 -0.027 0.000 0.989 2250 R CB -0.362 29.923 30.300 -0.025 0.000 0.876 2250 R HN 0.462 nan 8.270 nan 0.000 0.457 2251 R N 0.506 120.986 120.500 -0.032 0.000 2.236 2251 R HA 0.135 4.475 4.340 0.000 0.000 0.208 2251 R C 1.430 177.710 176.300 -0.033 0.000 1.036 2251 R CA 0.623 56.703 56.100 -0.033 0.000 1.001 2251 R CB 0.064 30.339 30.300 -0.042 0.000 0.896 2251 R HN 0.252 nan 8.270 nan 0.000 0.464 2252 L N 0.432 121.635 121.223 -0.034 0.000 2.693 2252 L HA 0.229 4.569 4.340 0.000 0.000 0.235 2252 L C 0.408 177.259 176.870 -0.031 0.000 1.127 2252 L CA -0.206 54.614 54.840 -0.033 0.000 0.914 2252 L CB 0.213 42.250 42.059 -0.037 0.000 1.193 2252 L HN 0.022 nan 8.230 nan 0.000 0.502 2253 L N 0.000 121.206 121.223 -0.029 0.000 2.949 2253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2253 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 2253 L CB 0.000 42.043 42.059 -0.026 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502