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 3ddo_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 RTQQEIPXXX XXXXTESHAV 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 0.000 176.581 176.600 -0.032 0.000 0.988 2003 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 2003 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 2004 S N 0.408 116.082 115.700 -0.044 0.000 2.543 2004 S HA 0.266 4.736 4.470 0.000 0.000 0.273 2004 S C -0.957 173.625 174.600 -0.030 0.000 1.152 2004 S CA -0.619 57.554 58.200 -0.044 0.000 0.910 2004 S CB 1.189 64.334 63.200 -0.092 0.000 1.105 2004 S HN 0.601 nan 8.310 nan 0.000 0.465 2005 D N 1.733 122.126 120.400 -0.011 0.000 2.349 2005 D HA 0.137 4.777 4.640 0.000 0.000 0.215 2005 D C 0.839 177.149 176.300 0.017 0.000 1.016 2005 D CA 0.897 54.899 54.000 0.003 0.000 0.870 2005 D CB 0.531 41.336 40.800 0.009 0.000 0.917 2005 D HN 0.489 nan 8.370 nan 0.000 0.524 2006 V N -2.849 117.071 119.914 0.010 0.000 3.074 2006 V HA 0.384 4.504 4.120 0.000 0.000 0.314 2006 V C 0.797 176.907 176.094 0.026 0.000 1.117 2006 V CA -1.019 61.306 62.300 0.042 0.000 1.014 2006 V CB 1.714 33.563 31.823 0.044 0.000 1.057 2006 V HN -0.168 nan 8.190 nan 0.000 0.438 2007 F N 0.780 120.678 119.950 -0.088 0.000 2.206 2007 F HA 0.075 4.602 4.527 0.000 0.000 0.298 2007 F C 1.876 177.471 175.800 -0.342 0.000 1.090 2007 F CA 2.412 60.276 58.000 -0.227 0.000 1.323 2007 F CB 0.082 38.902 39.000 -0.300 0.000 1.028 2007 F HN 0.835 nan 8.300 nan 0.000 0.492 2008 H N -1.703 117.358 119.070 -0.014 0.000 2.594 2008 H HA 0.252 4.808 4.556 -0.000 0.000 0.274 2008 H C 1.947 177.224 175.328 -0.085 0.000 0.982 2008 H CA 0.682 56.694 56.048 -0.060 0.000 1.228 2008 H CB -0.027 29.732 29.762 -0.005 0.000 1.447 2008 H HN 0.098 nan 8.280 nan 0.000 0.485 2009 L N -0.205 121.022 121.223 0.007 0.000 2.313 2009 L HA 0.140 4.480 4.340 0.000 0.000 0.214 2009 L C 1.099 178.056 176.870 0.145 0.000 1.119 2009 L CA 0.730 55.604 54.840 0.057 0.000 0.809 2009 L CB -0.233 41.822 42.059 -0.005 0.000 0.933 2009 L HN 0.537 nan 8.230 nan 0.000 0.449 2010 G N 1.281 110.066 108.800 -0.024 0.000 2.246 2010 G HA2 -0.264 3.696 3.960 0.000 0.000 0.273 2010 G HA3 -0.264 3.696 3.960 0.000 0.000 0.273 2010 G C -0.189 174.748 174.900 0.062 0.000 1.055 2010 G CA 0.035 45.116 45.100 -0.032 0.000 0.851 2010 G HN 0.241 nan 8.290 nan 0.000 0.500 2011 L N 0.055 121.294 121.223 0.027 0.000 2.370 2011 L HA 0.793 5.133 4.340 0.000 0.000 0.266 2011 L C 0.785 177.661 176.870 0.010 0.000 1.002 2011 L CA -0.580 54.276 54.840 0.027 0.000 0.818 2011 L CB 2.391 44.472 42.059 0.037 0.000 1.325 2011 L HN 0.365 nan 8.230 nan 0.000 0.418 2012 T N -2.873 111.685 114.554 0.006 0.000 2.952 2012 T HA 0.359 4.709 4.350 0.000 0.000 0.286 2012 T C 0.741 175.444 174.700 0.005 0.000 1.024 2012 T CA -0.860 61.242 62.100 0.003 0.000 1.029 2012 T CB 2.018 70.885 68.868 -0.002 0.000 1.094 2012 T HN 0.525 nan 8.240 nan 0.000 0.515 2013 K N 0.424 120.827 120.400 0.006 0.000 2.063 2013 K HA -0.183 4.137 4.320 0.000 0.000 0.208 2013 K C 2.125 178.726 176.600 0.002 0.000 1.048 2013 K CA 1.698 57.988 56.287 0.006 0.000 0.928 2013 K CB -0.353 32.151 32.500 0.006 0.000 0.713 2013 K HN 0.625 nan 8.250 nan 0.000 0.442 2014 N N 1.423 120.122 118.700 -0.000 0.000 2.149 2014 N HA -0.168 4.572 4.740 0.000 0.000 0.188 2014 N C 1.163 176.670 175.510 -0.005 0.000 1.019 2014 N CA 1.459 54.507 53.050 -0.003 0.000 0.857 2014 N CB -0.083 38.401 38.487 -0.005 0.000 0.997 2014 N HN 0.101 nan 8.380 nan 0.000 0.426 2015 D N -0.383 120.014 120.400 -0.005 0.000 2.221 2015 D HA -0.120 4.520 4.640 0.000 0.000 0.204 2015 D C 1.504 177.802 176.300 -0.004 0.000 0.982 2015 D CA 0.660 54.656 54.000 -0.008 0.000 0.857 2015 D CB -0.083 40.714 40.800 -0.005 0.000 0.934 2015 D HN 0.283 nan 8.370 nan 0.000 0.475 2016 L N 0.398 121.621 121.223 -0.000 0.000 2.395 2016 L HA 0.009 4.349 4.340 0.000 0.000 0.218 2016 L C 0.752 177.620 176.870 -0.003 0.000 1.130 2016 L CA 0.513 55.353 54.840 -0.000 0.000 0.826 2016 L CB -0.232 41.825 42.059 -0.003 0.000 0.941 2016 L HN -0.073 nan 8.230 nan 0.000 0.451 2017 Q N -0.002 119.795 119.800 -0.004 0.000 2.457 2017 Q HA -0.271 4.069 4.340 0.000 0.000 0.283 2017 Q C 1.244 177.241 176.000 -0.005 0.000 1.234 2017 Q CA 0.956 56.757 55.803 -0.004 0.000 0.877 2017 Q CB -2.132 26.605 28.738 -0.003 0.000 1.250 2017 Q HN 0.673 nan 8.270 nan 0.000 0.481 2018 G N -2.032 106.763 108.800 -0.007 0.000 2.176 2018 G HA2 -0.269 3.691 3.960 0.000 0.000 0.253 2018 G HA3 -0.269 3.691 3.960 0.000 0.000 0.253 2018 G C 0.357 175.247 174.900 -0.017 0.000 0.979 2018 G CA 0.354 45.449 45.100 -0.010 0.000 0.641 2018 G HN 1.260 nan 8.290 nan 0.000 0.530 2019 A N -0.181 122.627 122.820 -0.020 0.000 2.565 2019 A HA 0.520 4.840 4.320 0.000 0.000 0.237 2019 A C 1.056 178.608 177.584 -0.053 0.000 1.053 2019 A CA 1.452 53.469 52.037 -0.033 0.000 0.755 2019 A CB 0.156 19.138 19.000 -0.030 0.000 0.980 2019 A HN 0.610 nan 8.150 nan 0.000 0.506 2020 Q N 0.877 120.635 119.800 -0.069 0.000 2.164 2020 Q HA 0.351 4.691 4.340 0.000 0.000 0.226 2020 Q C -0.561 175.343 176.000 -0.161 0.000 0.813 2020 Q CA 0.001 55.747 55.803 -0.096 0.000 0.978 2020 Q CB 0.729 29.430 28.738 -0.062 0.000 1.149 2020 Q HN 0.720 nan 8.270 nan 0.000 0.489 2021 L N 0.490 121.617 121.223 -0.160 0.000 2.408 2021 L HA 0.833 5.173 4.340 0.000 0.000 0.268 2021 L C -1.817 174.931 176.870 -0.203 0.000 0.986 2021 L CA -0.686 54.031 54.840 -0.206 0.000 0.820 2021 L CB 1.766 43.753 42.059 -0.119 0.000 1.303 2021 L HN -0.068 nan 8.230 nan 0.000 0.411 2022 A N 5.573 128.219 122.820 -0.290 0.000 2.371 2022 A HA 0.731 5.051 4.320 0.000 0.000 0.311 2022 A C -1.009 176.543 177.584 -0.053 0.000 1.068 2022 A CA -0.565 51.377 52.037 -0.157 0.000 0.744 2022 A CB 1.172 20.068 19.000 -0.173 0.000 1.239 2022 A HN 0.673 nan 8.150 nan 0.000 0.435 2023 I N 2.428 123.001 120.570 0.005 0.000 2.331 2023 I HA 0.393 4.563 4.170 0.000 0.000 0.292 2023 I C -0.263 175.898 176.117 0.072 0.000 0.998 2023 I CA -0.655 60.666 61.300 0.036 0.000 1.267 2023 I CB 1.793 39.803 38.000 0.017 0.000 1.386 2023 I HN 0.464 nan 8.210 nan 0.000 0.476 2024 V N 5.470 125.442 119.914 0.097 0.000 2.327 2024 V HA 0.509 4.629 4.120 0.000 0.000 0.272 2024 V C -2.597 173.545 176.094 0.080 0.000 1.019 2024 V CA -1.922 60.448 62.300 0.116 0.000 0.814 2024 V CB 0.508 32.437 31.823 0.176 0.000 1.040 2024 V HN 0.454 nan 8.190 nan 0.000 0.440 2025 P HA 0.314 nan 4.420 nan 0.000 0.276 2025 P C 1.019 178.343 177.300 0.041 0.000 1.252 2025 P CA 0.269 63.391 63.100 0.036 0.000 0.802 2025 P CB 1.815 33.524 31.700 0.015 0.000 1.035 2026 G N 0.111 108.924 108.800 0.023 0.000 2.408 2026 G HA2 -0.092 3.868 3.960 0.000 0.000 0.215 2026 G HA3 -0.092 3.868 3.960 0.000 0.000 0.215 2026 G C 0.270 175.169 174.900 -0.003 0.000 1.156 2026 G CA 0.479 45.588 45.100 0.014 0.000 0.793 2026 G HN 0.527 nan 8.290 nan 0.000 0.535 2027 D N 0.118 120.512 120.400 -0.010 0.000 2.280 2027 D HA 0.305 4.945 4.640 0.000 0.000 0.243 2027 D C -1.405 174.887 176.300 -0.014 0.000 1.129 2027 D CA -2.507 51.479 54.000 -0.024 0.000 0.848 2027 D CB 2.006 42.787 40.800 -0.031 0.000 1.107 2027 D HN -0.084 nan 8.370 nan 0.000 0.471 2028 P HA -0.141 nan 4.420 nan 0.000 0.217 2028 P C 0.542 177.844 177.300 0.004 0.000 1.148 2028 P CA 1.211 64.316 63.100 0.009 0.000 0.828 2028 P CB 0.245 31.943 31.700 -0.003 0.000 0.783 2029 E N -0.801 119.388 120.200 -0.017 0.000 2.347 2029 E HA -0.127 4.223 4.350 0.000 0.000 0.196 2029 E C 2.061 178.626 176.600 -0.058 0.000 1.008 2029 E CA 0.384 56.767 56.400 -0.028 0.000 0.852 2029 E CB -0.355 29.327 29.700 -0.030 0.000 0.783 2029 E HN 0.212 nan 8.360 nan 0.000 0.505 2030 R N 0.745 121.210 120.500 -0.058 0.000 2.276 2030 R HA -0.004 4.336 4.340 0.000 0.000 0.196 2030 R C 1.795 178.023 176.300 -0.120 0.000 0.961 2030 R CA 0.194 56.246 56.100 -0.079 0.000 1.024 2030 R CB 0.212 30.480 30.300 -0.052 0.000 0.940 2030 R HN -0.018 nan 8.270 nan 0.000 0.480 2031 V N 1.192 121.038 119.914 -0.115 0.000 2.255 2031 V HA -0.271 3.849 4.120 0.000 0.000 0.247 2031 V C 2.253 178.073 176.094 -0.456 0.000 1.051 2031 V CA 2.332 64.533 62.300 -0.166 0.000 1.018 2031 V CB -0.558 31.253 31.823 -0.021 0.000 0.641 2031 V HN 0.495 nan 8.190 nan 0.000 0.445 2032 E N 0.245 120.050 120.200 -0.659 0.000 2.118 2032 E HA -0.288 4.062 4.350 0.000 0.000 0.195 2032 E C 2.231 178.433 176.600 -0.663 0.000 0.992 2032 E CA 1.579 57.296 56.400 -1.138 0.000 0.804 2032 E CB -0.071 29.161 29.700 -0.779 0.000 0.741 2032 E HN 0.595 nan 8.360 nan 0.000 0.458 2033 K N 0.089 120.267 120.400 -0.370 0.000 2.057 2033 K HA -0.122 4.198 4.320 0.000 0.000 0.207 2033 K C 2.183 178.661 176.600 -0.204 0.000 1.049 2033 K CA 1.537 57.683 56.287 -0.235 0.000 0.931 2033 K CB -0.089 32.320 32.500 -0.152 0.000 0.714 2033 K HN 0.236 nan 8.250 nan 0.000 0.440 2034 I N 0.645 121.097 120.570 -0.198 0.000 2.286 2034 I HA -0.209 3.961 4.170 0.000 0.000 0.245 2034 I C 2.429 178.463 176.117 -0.138 0.000 1.104 2034 I CA 0.844 62.064 61.300 -0.132 0.000 1.397 2034 I CB -0.302 37.642 38.000 -0.094 0.000 1.072 2034 I HN 0.126 nan 8.210 nan 0.000 0.417 2035 A N 0.823 123.513 122.820 -0.216 0.000 1.978 2035 A HA -0.163 4.157 4.320 0.000 0.000 0.220 2035 A C 2.450 179.959 177.584 -0.125 0.000 1.170 2035 A CA 1.779 53.724 52.037 -0.153 0.000 0.636 2035 A CB -0.736 18.135 19.000 -0.215 0.000 0.810 2035 A HN 0.436 nan 8.150 nan 0.000 0.448 2036 A N -0.580 122.120 122.820 -0.200 0.000 2.172 2036 A HA 0.136 4.456 4.320 0.000 0.000 0.216 2036 A C 1.850 179.395 177.584 -0.065 0.000 1.154 2036 A CA 0.989 52.952 52.037 -0.123 0.000 0.701 2036 A CB -0.491 18.418 19.000 -0.152 0.000 0.789 2036 A HN 0.484 nan 8.150 nan 0.000 0.465 2037 L N -1.246 119.938 121.223 -0.064 0.000 2.552 2037 L HA 0.115 4.455 4.340 0.000 0.000 0.227 2037 L C 0.958 177.816 176.870 -0.020 0.000 1.146 2037 L CA 0.126 54.943 54.840 -0.038 0.000 0.858 2037 L CB -0.329 41.707 42.059 -0.038 0.000 0.969 2037 L HN 0.425 nan 8.230 nan 0.000 0.451 2038 M N -1.687 117.905 119.600 -0.013 0.000 2.852 2038 M HA 0.323 4.803 4.480 0.000 0.000 0.301 2038 M C -0.763 175.548 176.300 0.018 0.000 1.229 2038 M CA -0.899 54.404 55.300 0.004 0.000 0.832 2038 M CB 1.468 34.073 32.600 0.010 0.000 1.726 2038 M HN -0.203 nan 8.290 nan 0.000 0.497 2039 D N 1.147 121.561 120.400 0.023 0.000 2.304 2039 D HA 0.177 4.817 4.640 0.000 0.000 0.247 2039 D C -0.440 175.887 176.300 0.046 0.000 1.089 2039 D CA 0.088 54.105 54.000 0.028 0.000 0.910 2039 D CB 0.752 41.564 40.800 0.020 0.000 1.199 2039 D HN 0.438 nan 8.370 nan 0.000 0.426 2040 K N -0.436 119.994 120.400 0.050 0.000 3.278 2040 K HA -0.150 4.170 4.320 0.000 0.000 0.270 2040 K C -2.405 174.254 176.600 0.099 0.000 0.955 2040 K CA 0.037 56.360 56.287 0.061 0.000 0.723 2040 K CB -1.310 31.214 32.500 0.040 0.000 1.382 2040 K HN 0.322 nan 8.250 nan 0.000 0.461 2041 P HA 0.164 nan 4.420 nan 0.000 0.276 2041 P C -0.479 177.016 177.300 0.325 0.000 1.235 2041 P CA -0.213 63.060 63.100 0.289 0.000 0.772 2041 P CB 1.257 33.138 31.700 0.303 0.000 0.871 2042 V N 3.552 123.610 119.914 0.240 0.000 2.623 2042 V HA 0.286 4.406 4.120 0.000 0.000 0.304 2042 V C 0.252 175.983 176.094 -0.606 0.000 1.054 2042 V CA -0.929 61.282 62.300 -0.148 0.000 0.882 2042 V CB 2.073 33.837 31.823 -0.098 0.000 1.002 2042 V HN 0.461 nan 8.190 nan 0.000 0.424 2043 K N 3.288 122.853 120.400 -1.392 0.000 2.350 2043 K HA 0.400 4.720 4.320 0.000 0.000 0.279 2043 K C 0.129 176.324 176.600 -0.675 0.000 1.027 2043 K CA -0.147 55.144 56.287 -1.660 0.000 0.969 2043 K CB 0.773 32.364 32.500 -1.514 0.000 0.954 2043 K HN 0.645 nan 8.250 nan 0.000 0.474 2044 L N 2.380 123.332 121.223 -0.452 0.000 2.356 2044 L HA 0.348 4.688 4.340 0.000 0.000 0.193 2044 L C 0.433 177.219 176.870 -0.141 0.000 1.087 2044 L CA 0.098 54.817 54.840 -0.202 0.000 0.817 2044 L CB 0.317 42.326 42.059 -0.083 0.000 1.035 2044 L HN 0.739 nan 8.230 nan 0.000 0.482 2045 A N -1.033 121.721 122.820 -0.109 0.000 2.608 2045 A HA 0.638 4.958 4.320 0.000 0.000 0.292 2045 A C -1.252 176.271 177.584 -0.102 0.000 1.066 2045 A CA -0.285 51.699 52.037 -0.088 0.000 0.676 2045 A CB 1.795 20.835 19.000 0.067 0.000 1.277 2045 A HN -0.111 nan 8.150 nan 0.000 0.413 2046 S N 0.598 116.119 115.700 -0.299 0.000 2.736 2046 S HA 0.676 5.146 4.470 0.000 0.000 0.285 2046 S C -1.724 172.596 174.600 -0.467 0.000 1.163 2046 S CA -0.479 57.594 58.200 -0.211 0.000 1.025 2046 S CB 0.409 63.543 63.200 -0.109 0.000 1.030 2046 S HN 0.718 nan 8.310 nan 0.000 0.486 2047 H N 3.438 122.581 119.070 0.123 0.000 2.856 2047 H HA 0.508 5.064 4.556 0.000 0.000 0.355 2047 H C 0.519 175.930 175.328 0.140 0.000 1.079 2047 H CA -0.492 55.631 56.048 0.124 0.000 1.240 2047 H CB 1.541 31.392 29.762 0.148 0.000 1.701 2047 H HN 0.779 nan 8.280 nan 0.000 0.527 2048 R N 0.504 121.103 120.500 0.165 0.000 3.750 2048 R HA -0.232 4.108 4.340 0.000 0.000 0.495 2048 R C 1.066 177.279 176.300 -0.145 0.000 0.241 2048 R CA 1.912 58.018 56.100 0.010 0.000 1.551 2048 R CB -0.704 29.614 30.300 0.030 0.000 0.956 2048 R HN 0.771 nan 8.270 nan 0.000 0.584 2049 E N 1.821 121.750 120.200 -0.452 0.000 2.445 2049 E HA 0.001 4.351 4.350 0.000 0.000 0.189 2049 E C -0.317 176.011 176.600 -0.454 0.000 1.069 2049 E CA 0.622 56.742 56.400 -0.466 0.000 0.871 2049 E CB 0.094 29.488 29.700 -0.510 0.000 0.991 2049 E HN 0.300 nan 8.360 nan 0.000 0.481 2050 F N 1.577 121.575 119.950 0.081 0.000 2.293 2050 F HA 0.318 4.846 4.527 0.000 0.000 0.370 2050 F C 0.154 176.011 175.800 0.095 0.000 1.090 2050 F CA -0.672 57.385 58.000 0.096 0.000 1.133 2050 F CB 1.450 40.524 39.000 0.125 0.000 1.360 2050 F HN -0.326 nan 8.300 nan 0.000 0.489 2051 T N 2.100 116.789 114.554 0.225 0.000 2.771 2051 T HA 0.555 4.905 4.350 0.000 0.000 0.281 2051 T C -0.238 174.612 174.700 0.251 0.000 0.982 2051 T CA -0.729 61.490 62.100 0.198 0.000 0.978 2051 T CB 1.065 70.036 68.868 0.171 0.000 0.930 2051 T HN 0.515 nan 8.240 nan 0.000 0.447 2052 S N 2.245 118.091 115.700 0.243 0.000 2.521 2052 S HA 0.773 5.243 4.470 0.000 0.000 0.295 2052 S C -1.584 173.180 174.600 0.273 0.000 1.098 2052 S CA -1.009 57.339 58.200 0.248 0.000 0.999 2052 S CB 1.212 64.507 63.200 0.160 0.000 1.034 2052 S HN 0.649 nan 8.310 nan 0.000 0.483 2053 W N 1.147 122.463 121.300 0.027 0.000 2.882 2053 W HA 0.671 5.331 4.660 -0.000 0.000 0.345 2053 W C 0.244 176.769 176.519 0.011 0.000 1.125 2053 W CA -0.854 56.500 57.345 0.015 0.000 1.167 2053 W CB 1.830 31.296 29.460 0.010 0.000 1.431 2053 W HN 0.750 nan 8.180 nan 0.000 0.543 2054 R N 1.429 122.051 120.500 0.203 0.000 2.664 2054 R HA 0.892 5.232 4.340 0.000 0.000 0.286 2054 R C -0.631 175.765 176.300 0.161 0.000 0.967 2054 R CA -0.336 55.842 56.100 0.130 0.000 0.933 2054 R CB 1.546 31.877 30.300 0.052 0.000 1.146 2054 R HN 0.650 nan 8.270 nan 0.000 0.468 2055 A N 2.195 125.081 122.820 0.110 0.000 2.535 2055 A HA 0.494 4.814 4.320 0.000 0.000 0.296 2055 A C -1.617 175.998 177.584 0.051 0.000 1.248 2055 A CA -0.669 51.424 52.037 0.094 0.000 0.686 2055 A CB 1.729 20.788 19.000 0.097 0.000 1.315 2055 A HN 0.700 nan 8.150 nan 0.000 0.460 2056 E N -0.638 119.585 120.200 0.039 0.000 2.272 2056 E HA 0.589 4.939 4.350 0.000 0.000 0.269 2056 E C -2.281 174.328 176.600 0.015 0.000 0.877 2056 E CA -0.587 55.827 56.400 0.023 0.000 0.755 2056 E CB 1.987 31.700 29.700 0.021 0.000 1.192 2056 E HN 0.422 nan 8.360 nan 0.000 0.422 2057 L N 4.236 125.463 121.223 0.007 0.000 2.404 2057 L HA 0.313 4.653 4.340 0.000 0.000 0.272 2057 L C -1.119 175.751 176.870 -0.001 0.000 0.980 2057 L CA -0.090 54.751 54.840 0.002 0.000 0.836 2057 L CB 1.430 43.488 42.059 -0.002 0.000 1.238 2057 L HN 0.645 nan 8.230 nan 0.000 0.408 2058 D N 4.355 124.755 120.400 -0.000 0.000 2.701 2058 D HA -0.214 4.426 4.640 0.000 0.000 0.235 2058 D C 1.161 177.461 176.300 -0.000 0.000 1.155 2058 D CA 1.480 55.480 54.000 -0.001 0.000 0.649 2058 D CB -0.855 39.943 40.800 -0.003 0.000 1.050 2058 D HN 1.157 nan 8.370 nan 0.000 0.425 2059 G N -0.738 108.063 108.800 0.002 0.000 2.179 2059 G HA2 -0.357 3.603 3.960 0.000 0.000 0.260 2059 G HA3 -0.357 3.603 3.960 0.000 0.000 0.260 2059 G C 0.244 175.145 174.900 0.001 0.000 0.977 2059 G CA 0.744 45.845 45.100 0.002 0.000 0.641 2059 G HN 0.492 nan 8.290 nan 0.000 0.533 2060 K N 0.481 120.881 120.400 -0.001 0.000 2.221 2060 K HA 0.730 5.050 4.320 0.000 0.000 0.258 2060 K C 0.453 177.052 176.600 -0.002 0.000 0.944 2060 K CA -0.181 56.104 56.287 -0.004 0.000 0.823 2060 K CB 2.026 34.521 32.500 -0.008 0.000 1.113 2060 K HN 0.494 nan 8.250 nan 0.000 0.431 2061 A N 1.944 124.762 122.820 -0.003 0.000 2.462 2061 A HA 0.369 4.689 4.320 0.000 0.000 0.243 2061 A C 0.029 177.609 177.584 -0.006 0.000 1.076 2061 A CA -0.301 51.737 52.037 0.000 0.000 0.773 2061 A CB -0.041 18.959 19.000 -0.001 0.000 1.010 2061 A HN 0.544 nan 8.150 nan 0.000 0.493 2062 V N 0.669 120.585 119.914 0.003 0.000 3.007 2062 V HA 0.722 4.842 4.120 0.000 0.000 0.311 2062 V C -0.650 175.454 176.094 0.016 0.000 1.120 2062 V CA -1.075 61.222 62.300 -0.005 0.000 0.980 2062 V CB 1.789 33.608 31.823 -0.006 0.000 1.033 2062 V HN 0.664 nan 8.190 nan 0.000 0.429 2063 I N 2.963 123.535 120.570 0.004 0.000 2.460 2063 I HA 0.601 4.771 4.170 0.000 0.000 0.298 2063 I C -0.330 175.819 176.117 0.053 0.000 0.989 2063 I CA -0.654 60.669 61.300 0.038 0.000 1.173 2063 I CB 1.971 39.982 38.000 0.018 0.000 1.338 2063 I HN 0.558 nan 8.210 nan 0.000 0.456 2064 V N 5.204 125.180 119.914 0.104 0.000 2.409 2064 V HA 0.436 4.556 4.120 0.000 0.000 0.291 2064 V C -0.392 175.788 176.094 0.144 0.000 1.020 2064 V CA -0.490 61.869 62.300 0.098 0.000 0.848 2064 V CB 1.989 33.852 31.823 0.066 0.000 0.990 2064 V HN 0.896 nan 8.190 nan 0.000 0.430 2065 C N 5.017 124.398 119.300 0.135 0.000 2.551 2065 C HA 0.700 5.160 4.460 0.000 0.000 0.332 2065 C C 0.504 175.598 174.990 0.174 0.000 1.139 2065 C CA -0.370 58.752 59.018 0.173 0.000 1.328 2065 C CB 1.133 28.976 27.740 0.170 0.000 1.903 2065 C HN 1.057 nan 8.230 nan 0.000 0.459 2066 S N 3.311 119.122 115.700 0.185 0.000 2.592 2066 S HA 0.393 4.863 4.470 0.000 0.000 0.271 2066 S C 0.905 175.650 174.600 0.242 0.000 1.326 2066 S CA 0.422 58.716 58.200 0.156 0.000 1.024 2066 S CB 1.304 64.561 63.200 0.096 0.000 0.921 2066 S HN 1.066 nan 8.310 nan 0.000 0.527 2067 T N -1.586 113.071 114.554 0.172 0.000 2.990 2067 T HA 0.528 4.878 4.350 0.000 0.000 0.250 2067 T C 1.180 175.944 174.700 0.106 0.000 1.041 2067 T CA 0.274 62.507 62.100 0.221 0.000 1.010 2067 T CB -0.868 68.078 68.868 0.129 0.000 1.003 2067 T HN 1.923 nan 8.240 nan 0.000 0.499 2068 G N 1.592 110.381 108.800 -0.018 0.000 2.855 2068 G HA2 -0.131 3.829 3.960 0.000 0.000 0.352 2068 G HA3 -0.131 3.829 3.960 0.000 0.000 0.352 2068 G C -0.570 174.307 174.900 -0.038 0.000 1.415 2068 G CA -0.509 44.536 45.100 -0.092 0.000 0.871 2068 G HN 0.639 nan 8.290 nan 0.000 0.543 2069 I N 2.127 122.666 120.570 -0.052 0.000 2.416 2069 I HA 0.518 4.688 4.170 0.000 0.000 0.288 2069 I C 1.111 177.218 176.117 -0.017 0.000 1.051 2069 I CA 1.150 62.432 61.300 -0.030 0.000 1.375 2069 I CB 0.611 38.584 38.000 -0.044 0.000 1.407 2069 I HN 1.957 nan 8.210 nan 0.000 0.516 2070 G N 3.872 112.670 108.800 -0.002 0.000 2.629 2070 G HA2 -0.072 3.888 3.960 0.000 0.000 0.686 2070 G HA3 -0.072 3.888 3.960 0.000 0.000 0.686 2070 G C 0.520 175.423 174.900 0.005 0.000 1.232 2070 G CA -0.490 44.610 45.100 0.000 0.000 0.803 2070 G HN 0.914 nan 8.290 nan 0.000 0.638 2071 G N 0.452 109.252 108.800 -0.000 0.000 2.469 2071 G HA2 0.017 3.977 3.960 0.000 0.000 0.219 2071 G HA3 0.017 3.977 3.960 0.000 0.000 0.219 2071 G C 0.116 175.018 174.900 0.004 0.000 1.150 2071 G CA 2.227 47.326 45.100 -0.002 0.000 0.763 2071 G HN 0.683 nan 8.290 nan 0.000 0.561 2072 P HA -0.087 nan 4.420 nan 0.000 0.215 2072 P C 2.468 179.792 177.300 0.040 0.000 1.157 2072 P CA 2.275 65.373 63.100 -0.003 0.000 0.863 2072 P CB -0.206 31.485 31.700 -0.015 0.000 0.787 2073 S N -1.910 113.830 115.700 0.065 0.000 2.383 2073 S HA -0.116 4.354 4.470 0.000 0.000 0.227 2073 S C 1.942 176.674 174.600 0.220 0.000 1.026 2073 S CA 1.736 60.043 58.200 0.177 0.000 0.981 2073 S CB -1.988 61.266 63.200 0.090 0.000 0.818 2073 S HN 0.076 nan 8.310 nan 0.000 0.472 2074 T N 3.103 117.723 114.554 0.109 0.000 2.720 2074 T HA -0.130 4.220 4.350 0.000 0.000 0.268 2074 T C 2.327 177.025 174.700 -0.003 0.000 1.037 2074 T CA 1.903 64.039 62.100 0.061 0.000 1.144 2074 T CB -0.764 68.108 68.868 0.006 0.000 0.864 2074 T HN 0.801 nan 8.240 nan 0.000 0.444 2075 S N 1.132 116.834 115.700 0.004 0.000 2.399 2075 S HA -0.027 4.443 4.470 0.000 0.000 0.231 2075 S C 2.067 176.663 174.600 -0.006 0.000 1.022 2075 S CA 0.764 58.966 58.200 0.004 0.000 0.983 2075 S CB -0.720 62.570 63.200 0.149 0.000 0.803 2075 S HN 0.505 nan 8.310 nan 0.000 0.480 2076 I N 2.065 122.619 120.570 -0.026 0.000 2.202 2076 I HA -0.086 4.084 4.170 0.000 0.000 0.242 2076 I C 3.103 179.093 176.117 -0.210 0.000 1.091 2076 I CA 1.079 62.300 61.300 -0.131 0.000 1.368 2076 I CB -0.660 37.181 38.000 -0.265 0.000 1.058 2076 I HN 0.429 nan 8.210 nan 0.000 0.410 2077 A N 0.372 123.059 122.820 -0.221 0.000 1.902 2077 A HA -0.155 4.165 4.320 0.000 0.000 0.217 2077 A C 2.409 179.956 177.584 -0.062 0.000 1.181 2077 A CA 1.805 53.722 52.037 -0.199 0.000 0.623 2077 A CB -0.958 18.044 19.000 0.004 0.000 0.818 2077 A HN 0.242 nan 8.150 nan 0.000 0.443 2078 V N 0.109 119.952 119.914 -0.118 0.000 2.358 2078 V HA -0.223 3.897 4.120 0.000 0.000 0.246 2078 V C 2.618 178.632 176.094 -0.134 0.000 1.047 2078 V CA 2.394 64.526 62.300 -0.280 0.000 1.035 2078 V CB -0.711 30.752 31.823 -0.601 0.000 0.658 2078 V HN 0.763 nan 8.190 nan 0.000 0.452 2079 E N 0.978 121.125 120.200 -0.088 0.000 2.051 2079 E HA -0.242 4.108 4.350 0.000 0.000 0.192 2079 E C 2.074 178.698 176.600 0.041 0.000 0.991 2079 E CA 1.975 58.372 56.400 -0.005 0.000 0.799 2079 E CB -0.293 29.431 29.700 0.040 0.000 0.748 2079 E HN 0.680 nan 8.360 nan 0.000 0.449 2080 E N -0.064 120.149 120.200 0.023 0.000 2.107 2080 E HA -0.098 4.252 4.350 0.000 0.000 0.191 2080 E C 2.290 178.929 176.600 0.066 0.000 0.982 2080 E CA 0.893 57.316 56.400 0.039 0.000 0.809 2080 E CB -0.128 29.577 29.700 0.009 0.000 0.756 2080 E HN 0.302 nan 8.360 nan 0.000 0.459 2081 L N 0.742 122.029 121.223 0.107 0.000 2.046 2081 L HA -0.192 4.148 4.340 0.000 0.000 0.208 2081 L C 2.598 179.579 176.870 0.184 0.000 1.077 2081 L CA 1.021 55.960 54.840 0.166 0.000 0.747 2081 L CB -0.455 41.786 42.059 0.303 0.000 0.896 2081 L HN 0.148 nan 8.230 nan 0.000 0.432 2082 A N -0.548 122.427 122.820 0.258 0.000 1.902 2082 A HA -0.254 4.066 4.320 0.000 0.000 0.217 2082 A C 2.201 179.849 177.584 0.108 0.000 1.181 2082 A CA 1.508 53.672 52.037 0.211 0.000 0.623 2082 A CB -0.477 18.636 19.000 0.189 0.000 0.818 2082 A HN 0.476 nan 8.150 nan 0.000 0.443 2083 Q N -0.667 119.184 119.800 0.085 0.000 2.181 2083 Q HA -0.086 4.254 4.340 0.000 0.000 0.205 2083 Q C 1.595 177.623 176.000 0.047 0.000 0.980 2083 Q CA 1.273 57.111 55.803 0.059 0.000 0.862 2083 Q CB -0.277 28.493 28.738 0.054 0.000 0.905 2083 Q HN 0.684 nan 8.270 nan 0.000 0.429 2084 L N -1.393 119.859 121.223 0.048 0.000 2.591 2084 L HA 0.151 4.491 4.340 0.000 0.000 0.228 2084 L C 1.144 178.026 176.870 0.020 0.000 1.133 2084 L CA 0.473 55.331 54.840 0.031 0.000 0.880 2084 L CB 0.328 42.405 42.059 0.029 0.000 1.033 2084 L HN 0.394 nan 8.230 nan 0.000 0.450 2085 G N -0.400 108.415 108.800 0.025 0.000 2.192 2085 G HA2 -0.179 3.781 3.960 0.000 0.000 0.193 2085 G HA3 -0.179 3.781 3.960 0.000 0.000 0.193 2085 G C 0.195 175.082 174.900 -0.021 0.000 0.999 2085 G CA -0.718 44.386 45.100 0.008 0.000 0.659 2085 G HN 0.048 nan 8.290 nan 0.000 0.503 2086 I N 1.232 121.777 120.570 -0.041 0.000 2.556 2086 I HA 0.312 4.482 4.170 0.000 0.000 0.284 2086 I C 1.324 177.352 176.117 -0.149 0.000 1.114 2086 I CA 0.194 61.381 61.300 -0.189 0.000 1.418 2086 I CB 1.028 38.789 38.000 -0.397 0.000 1.394 2086 I HN 0.090 nan 8.210 nan 0.000 0.552 2087 R N 3.032 123.422 120.500 -0.183 0.000 2.419 2087 R HA 0.205 4.545 4.340 0.000 0.000 0.235 2087 R C -0.190 176.087 176.300 -0.038 0.000 0.899 2087 R CA 0.205 56.284 56.100 -0.034 0.000 1.048 2087 R CB 0.507 30.805 30.300 -0.004 0.000 1.182 2087 R HN 0.531 nan 8.270 nan 0.000 0.544 2088 T N 1.071 115.474 114.554 -0.252 0.000 2.881 2088 T HA 0.596 4.946 4.350 0.000 0.000 0.290 2088 T C -1.006 173.468 174.700 -0.377 0.000 1.000 2088 T CA -0.304 61.710 62.100 -0.143 0.000 0.978 2088 T CB 1.402 70.218 68.868 -0.086 0.000 0.997 2088 T HN -0.151 nan 8.240 nan 0.000 0.443 2089 F N 2.427 122.374 119.950 -0.004 0.000 2.518 2089 F HA 0.575 5.102 4.527 -0.000 0.000 0.323 2089 F C -0.363 175.434 175.800 -0.005 0.000 1.129 2089 F CA -1.060 56.937 58.000 -0.004 0.000 0.920 2089 F CB 1.472 40.465 39.000 -0.012 0.000 1.160 2089 F HN 0.201 nan 8.300 nan 0.000 0.440 2090 L N 4.162 125.464 121.223 0.133 0.000 2.316 2090 L HA 0.517 4.857 4.340 0.000 0.000 0.280 2090 L C -0.059 176.861 176.870 0.084 0.000 1.006 2090 L CA -0.691 54.199 54.840 0.083 0.000 0.836 2090 L CB 1.704 43.784 42.059 0.035 0.000 1.221 2090 L HN 0.603 nan 8.230 nan 0.000 0.418 2091 R N 3.196 123.740 120.500 0.075 0.000 2.390 2091 R HA 0.490 4.830 4.340 0.000 0.000 0.291 2091 R C -0.941 175.381 176.300 0.036 0.000 1.070 2091 R CA -0.470 55.664 56.100 0.057 0.000 1.014 2091 R CB 1.108 31.433 30.300 0.043 0.000 1.007 2091 R HN 0.533 nan 8.270 nan 0.000 0.466 2092 I N 4.014 124.603 120.570 0.031 0.000 2.410 2092 I HA 0.569 4.739 4.170 0.000 0.000 0.286 2092 I C -0.681 175.446 176.117 0.017 0.000 1.009 2092 I CA -0.132 61.180 61.300 0.020 0.000 1.111 2092 I CB 1.679 39.687 38.000 0.013 0.000 1.262 2092 I HN 0.750 nan 8.210 nan 0.000 0.443 2093 G N 4.123 112.932 108.800 0.016 0.000 3.015 2093 G HA2 0.732 4.692 3.960 0.000 0.000 0.281 2093 G HA3 0.732 4.692 3.960 0.000 0.000 0.281 2093 G C -1.059 173.850 174.900 0.015 0.000 1.386 2093 G CA -0.322 44.787 45.100 0.015 0.000 0.959 2093 G HN 0.638 nan 8.290 nan 0.000 0.522 2094 T N -2.960 111.605 114.554 0.018 0.000 2.912 2094 T HA 0.747 5.097 4.350 0.000 0.000 0.288 2094 T C -0.485 174.233 174.700 0.031 0.000 1.030 2094 T CA -0.685 61.429 62.100 0.022 0.000 1.020 2094 T CB 2.095 70.976 68.868 0.022 0.000 1.056 2094 T HN 0.830 nan 8.240 nan 0.000 0.480 2095 T N -0.131 114.440 114.554 0.029 0.000 2.889 2095 T HA 0.652 5.002 4.350 0.000 0.000 0.315 2095 T C -0.503 174.209 174.700 0.020 0.000 1.291 2095 T CA -0.423 61.692 62.100 0.026 0.000 1.028 2095 T CB 1.335 70.211 68.868 0.014 0.000 1.235 2095 T HN 1.170 nan 8.240 nan 0.000 0.491 2096 G N 1.729 110.543 108.800 0.023 0.000 2.335 2096 G HA2 0.640 4.600 3.960 0.000 0.000 0.314 2096 G HA3 0.640 4.600 3.960 0.000 0.000 0.314 2096 G C -0.030 174.874 174.900 0.007 0.000 1.129 2096 G CA -0.229 44.881 45.100 0.017 0.000 0.912 2096 G HN 0.970 nan 8.290 nan 0.000 0.443 2097 A N 2.309 125.112 122.820 -0.028 0.000 2.354 2097 A HA 0.563 4.883 4.320 0.000 0.000 0.269 2097 A C 1.042 178.580 177.584 -0.076 0.000 1.109 2097 A CA -0.547 51.441 52.037 -0.081 0.000 0.800 2097 A CB 0.338 19.267 19.000 -0.119 0.000 1.045 2097 A HN 1.274 nan 8.150 nan 0.000 0.489 2098 I N -1.913 118.585 120.570 -0.119 0.000 4.081 2098 I HA 0.254 4.424 4.170 0.000 0.000 0.333 2098 I C -0.242 175.822 176.117 -0.088 0.000 1.413 2098 I CA -0.282 60.967 61.300 -0.085 0.000 1.110 2098 I CB 0.222 38.150 38.000 -0.120 0.000 1.082 2098 I HN 0.340 nan 8.210 nan 0.000 0.402 2099 Q N 1.945 121.650 119.800 -0.158 0.000 2.256 2099 Q HA 0.387 4.727 4.340 0.000 0.000 0.257 2099 Q C -1.918 173.965 176.000 -0.195 0.000 0.936 2099 Q CA -1.926 53.768 55.803 -0.180 0.000 0.903 2099 Q CB 1.910 30.449 28.738 -0.333 0.000 1.263 2099 Q HN -0.017 nan 8.270 nan 0.000 0.440 2100 P HA -0.188 nan 4.420 nan 0.000 0.216 2100 P C 0.884 178.163 177.300 -0.034 0.000 1.150 2100 P CA 1.565 64.653 63.100 -0.020 0.000 0.843 2100 P CB 0.061 31.789 31.700 0.047 0.000 0.787 2101 H N -1.899 117.144 119.070 -0.045 0.000 2.547 2101 H HA 0.174 4.730 4.556 -0.000 0.000 0.266 2101 H C 0.435 175.723 175.328 -0.067 0.000 0.988 2101 H CA -0.041 55.986 56.048 -0.034 0.000 1.147 2101 H CB -0.562 29.189 29.762 -0.019 0.000 1.365 2101 H HN 0.147 nan 8.280 nan 0.000 0.589 2102 I N 3.050 123.312 120.570 -0.515 0.000 2.315 2102 I HA 0.081 4.251 4.170 0.000 0.000 0.291 2102 I C -0.274 175.755 176.117 -0.146 0.000 1.006 2102 I CA -0.556 60.484 61.300 -0.433 0.000 1.265 2102 I CB 0.972 38.609 38.000 -0.604 0.000 1.387 2102 I HN 0.082 nan 8.210 nan 0.000 0.475 2103 N N 5.061 123.753 118.700 -0.015 0.000 2.492 2103 N HA 0.303 5.043 4.740 0.000 0.000 0.289 2103 N C -0.464 175.059 175.510 0.022 0.000 1.133 2103 N CA -0.587 52.473 53.050 0.017 0.000 0.961 2103 N CB 1.957 40.477 38.487 0.055 0.000 1.186 2103 N HN 0.173 nan 8.380 nan 0.000 0.493 2104 V N 0.963 120.887 119.914 0.016 0.000 2.617 2104 V HA 0.219 4.339 4.120 0.000 0.000 0.304 2104 V C 1.507 177.621 176.094 0.032 0.000 1.040 2104 V CA 1.463 63.774 62.300 0.019 0.000 1.149 2104 V CB 0.129 31.960 31.823 0.013 0.000 0.914 2104 V HN 1.048 nan 8.190 nan 0.000 0.487 2105 G N 3.755 112.576 108.800 0.035 0.000 2.213 2105 G HA2 -0.182 3.778 3.960 0.000 0.000 0.236 2105 G HA3 -0.182 3.778 3.960 0.000 0.000 0.236 2105 G C -0.027 174.927 174.900 0.091 0.000 0.991 2105 G CA 0.022 45.150 45.100 0.046 0.000 0.629 2105 G HN 0.672 nan 8.290 nan 0.000 0.517 2106 D N 0.028 120.485 120.400 0.096 0.000 2.361 2106 D HA 0.477 5.117 4.640 0.000 0.000 0.239 2106 D C 0.561 176.929 176.300 0.113 0.000 1.200 2106 D CA 0.156 54.233 54.000 0.128 0.000 0.915 2106 D CB 1.491 42.413 40.800 0.203 0.000 1.170 2106 D HN 0.234 nan 8.370 nan 0.000 0.444 2107 V N 1.803 121.779 119.914 0.103 0.000 2.417 2107 V HA 0.337 4.457 4.120 0.000 0.000 0.291 2107 V C -0.038 176.107 176.094 0.085 0.000 1.024 2107 V CA -0.728 61.618 62.300 0.075 0.000 0.861 2107 V CB 1.236 33.088 31.823 0.048 0.000 0.985 2107 V HN 0.263 nan 8.190 nan 0.000 0.436 2108 L N 5.332 126.598 121.223 0.071 0.000 2.313 2108 L HA 0.628 4.968 4.340 0.000 0.000 0.283 2108 L C -0.643 176.249 176.870 0.037 0.000 1.013 2108 L CA -0.780 54.102 54.840 0.071 0.000 0.816 2108 L CB 1.943 44.030 42.059 0.047 0.000 1.236 2108 L HN 0.334 nan 8.230 nan 0.000 0.419 2109 V N 1.969 121.903 119.914 0.033 0.000 2.370 2109 V HA 0.291 4.411 4.120 0.000 0.000 0.283 2109 V C 0.300 176.401 176.094 0.012 0.000 1.023 2109 V CA -0.379 61.928 62.300 0.013 0.000 0.857 2109 V CB 1.756 33.578 31.823 -0.002 0.000 0.985 2109 V HN 0.732 nan 8.190 nan 0.000 0.443 2110 T N 3.453 118.010 114.554 0.005 0.000 2.743 2110 T HA 0.199 4.549 4.350 0.000 0.000 0.293 2110 T C 1.327 176.030 174.700 0.005 0.000 0.945 2110 T CA 0.196 62.296 62.100 0.001 0.000 1.030 2110 T CB 1.208 70.072 68.868 -0.007 0.000 0.912 2110 T HN 0.970 nan 8.240 nan 0.000 0.483 2111 T N 0.775 115.335 114.554 0.009 0.000 2.937 2111 T HA 0.464 4.814 4.350 0.000 0.000 0.260 2111 T C 0.732 175.442 174.700 0.016 0.000 1.051 2111 T CA 0.319 62.431 62.100 0.019 0.000 1.141 2111 T CB 0.151 69.036 68.868 0.028 0.000 0.879 2111 T HN 0.757 nan 8.240 nan 0.000 0.459 2112 A N -0.096 122.725 122.820 0.001 0.000 2.586 2112 A HA 0.677 4.997 4.320 0.000 0.000 0.291 2112 A C -1.074 176.493 177.584 -0.027 0.000 1.062 2112 A CA -0.852 51.182 52.037 -0.005 0.000 0.666 2112 A CB 1.204 20.201 19.000 -0.006 0.000 1.281 2112 A HN 0.216 nan 8.150 nan 0.000 0.421 2113 S N -0.361 115.321 115.700 -0.030 0.000 2.536 2113 S HA 0.597 5.067 4.470 0.000 0.000 0.298 2113 S C -0.392 174.157 174.600 -0.085 0.000 1.083 2113 S CA -0.560 57.602 58.200 -0.064 0.000 0.995 2113 S CB 1.701 64.873 63.200 -0.048 0.000 1.058 2113 S HN 0.920 nan 8.310 nan 0.000 0.488 2114 V N 3.143 122.955 119.914 -0.171 0.000 2.521 2114 V HA 0.162 4.282 4.120 0.000 0.000 0.286 2114 V C 0.625 176.631 176.094 -0.147 0.000 1.034 2114 V CA 0.075 62.236 62.300 -0.232 0.000 1.045 2114 V CB -0.135 31.348 31.823 -0.567 0.000 0.974 2114 V HN 0.696 nan 8.190 nan 0.000 0.480 2115 R N 5.225 125.691 120.500 -0.056 0.000 2.891 2115 R HA 0.317 4.657 4.340 0.000 0.000 0.248 2115 R C 0.048 176.378 176.300 0.049 0.000 1.439 2115 R CA -0.123 55.983 56.100 0.011 0.000 1.288 2115 R CB 0.002 30.335 30.300 0.054 0.000 1.212 2115 R HN 0.671 nan 8.270 nan 0.000 0.605 2116 L N 2.048 123.300 121.223 0.049 0.000 2.851 2116 L HA 0.137 4.477 4.340 0.000 0.000 0.237 2116 L C 0.236 177.185 176.870 0.131 0.000 1.257 2116 L CA -0.238 54.695 54.840 0.155 0.000 1.061 2116 L CB -0.703 41.483 42.059 0.210 0.000 1.372 2116 L HN 0.490 nan 8.230 nan 0.000 0.493 2117 D N -1.440 119.015 120.400 0.091 0.000 2.553 2117 D HA 0.323 4.963 4.640 0.000 0.000 0.249 2117 D C 0.709 177.055 176.300 0.077 0.000 1.062 2117 D CA -0.387 53.654 54.000 0.068 0.000 1.085 2117 D CB 1.872 42.695 40.800 0.039 0.000 1.350 2117 D HN -0.076 nan 8.370 nan 0.000 0.575 2118 G N -1.155 107.673 108.800 0.047 0.000 2.724 2118 G HA2 0.244 4.204 3.960 0.000 0.000 0.205 2118 G HA3 0.244 4.204 3.960 0.000 0.000 0.205 2118 G C 1.263 176.155 174.900 -0.013 0.000 1.112 2118 G CA 0.585 45.713 45.100 0.048 0.000 0.793 2118 G HN 0.613 nan 8.290 nan 0.000 0.526 2119 A N 1.788 124.557 122.820 -0.085 0.000 1.969 2119 A HA 0.003 4.323 4.320 0.000 0.000 0.218 2119 A C 2.673 180.331 177.584 0.124 0.000 1.169 2119 A CA 2.332 54.273 52.037 -0.160 0.000 0.635 2119 A CB -0.682 18.281 19.000 -0.060 0.000 0.810 2119 A HN 0.719 nan 8.150 nan 0.000 0.445 2120 S N 0.326 116.118 115.700 0.154 0.000 2.400 2120 S HA -0.146 4.324 4.470 0.000 0.000 0.232 2120 S C 1.701 176.450 174.600 0.249 0.000 1.025 2120 S CA 1.572 59.906 58.200 0.223 0.000 0.993 2120 S CB -0.769 62.508 63.200 0.128 0.000 0.808 2120 S HN 0.460 nan 8.310 nan 0.000 0.478 2121 L N 0.726 122.073 121.223 0.207 0.000 2.465 2121 L HA 0.027 4.367 4.340 0.000 0.000 0.224 2121 L C 2.266 179.226 176.870 0.150 0.000 1.145 2121 L CA 0.949 55.896 54.840 0.177 0.000 0.834 2121 L CB -0.664 41.498 42.059 0.170 0.000 0.944 2121 L HN 0.500 nan 8.230 nan 0.000 0.451 2122 H N -1.737 117.268 119.070 -0.108 0.000 2.547 2122 H HA 0.016 4.572 4.556 0.000 0.000 0.266 2122 H C 1.196 176.130 175.328 -0.657 0.000 0.988 2122 H CA 0.557 56.382 56.048 -0.371 0.000 1.147 2122 H CB 0.430 29.909 29.762 -0.472 0.000 1.365 2122 H HN 0.345 nan 8.280 nan 0.000 0.589 2123 F N -0.371 119.597 119.950 0.030 0.000 2.699 2123 F HA 0.433 4.960 4.527 0.000 0.000 0.295 2123 F C 0.825 176.532 175.800 -0.156 0.000 1.052 2123 F CA 0.021 57.979 58.000 -0.070 0.000 1.239 2123 F CB 1.007 39.950 39.000 -0.096 0.000 1.018 2123 F HN -0.041 nan 8.300 nan 0.000 0.627 2124 A N 0.393 123.230 122.820 0.029 0.000 2.589 2124 A HA 0.635 4.955 4.320 0.000 0.000 0.296 2124 A C -2.815 174.786 177.584 0.029 0.000 1.062 2124 A CA -1.373 50.610 52.037 -0.089 0.000 0.686 2124 A CB 0.710 19.451 19.000 -0.433 0.000 1.282 2124 A HN -0.173 nan 8.150 nan 0.000 0.404 2125 P HA 0.158 nan 4.420 nan 0.000 0.272 2125 P C 0.776 178.154 177.300 0.130 0.000 1.240 2125 P CA -0.275 62.873 63.100 0.081 0.000 0.791 2125 P CB 0.503 32.246 31.700 0.072 0.000 0.978 2126 M N 1.024 120.689 119.600 0.108 0.000 2.267 2126 M HA -0.158 4.322 4.480 0.000 0.000 0.263 2126 M C 1.426 177.802 176.300 0.127 0.000 1.063 2126 M CA 1.887 57.256 55.300 0.115 0.000 1.090 2126 M CB -1.237 31.416 32.600 0.089 0.000 1.392 2126 M HN 0.279 nan 8.290 nan 0.000 0.422 2127 E N -0.844 119.430 120.200 0.124 0.000 2.268 2127 E HA -0.056 4.294 4.350 0.000 0.000 0.195 2127 E C 0.212 176.886 176.600 0.122 0.000 0.995 2127 E CA 0.487 56.949 56.400 0.103 0.000 0.836 2127 E CB -0.403 29.349 29.700 0.087 0.000 0.763 2127 E HN 0.506 nan 8.360 nan 0.000 0.491 2128 F N 2.429 122.400 119.950 0.035 0.000 2.484 2128 F HA 0.163 4.690 4.527 -0.000 0.000 0.360 2128 F C -1.965 173.853 175.800 0.030 0.000 1.101 2128 F CA -2.631 55.389 58.000 0.034 0.000 1.251 2128 F CB 0.621 39.647 39.000 0.043 0.000 1.132 2128 F HN -0.118 nan 8.300 nan 0.000 0.570 2129 P HA 0.166 nan 4.420 nan 0.000 0.280 2129 P C -1.351 175.992 177.300 0.073 0.000 1.244 2129 P CA -0.456 62.580 63.100 -0.106 0.000 0.784 2129 P CB 1.377 32.945 31.700 -0.219 0.000 0.913 2130 A N 3.878 126.757 122.820 0.098 0.000 3.037 2130 A HA 0.278 4.598 4.320 0.000 0.000 0.272 2130 A C 0.206 177.823 177.584 0.055 0.000 1.723 2130 A CA -0.333 51.769 52.037 0.107 0.000 1.413 2130 A CB -0.911 18.127 19.000 0.064 0.000 1.112 2130 A HN 0.460 nan 8.150 nan 0.000 0.606 2131 V N 1.926 121.876 119.914 0.061 0.000 2.472 2131 V HA 0.701 4.821 4.120 0.000 0.000 0.290 2131 V C 0.638 176.764 176.094 0.053 0.000 1.037 2131 V CA -0.229 62.090 62.300 0.033 0.000 0.908 2131 V CB 1.406 33.225 31.823 -0.005 0.000 0.985 2131 V HN 0.923 nan 8.190 nan 0.000 0.454 2132 A N 4.261 127.109 122.820 0.046 0.000 2.366 2132 A HA 0.373 4.693 4.320 0.000 0.000 0.249 2132 A C 0.078 177.707 177.584 0.076 0.000 1.084 2132 A CA -0.181 51.887 52.037 0.051 0.000 0.794 2132 A CB 0.123 19.144 19.000 0.035 0.000 1.034 2132 A HN 1.025 nan 8.150 nan 0.000 0.491 2133 D N 0.007 120.453 120.400 0.078 0.000 2.424 2133 D HA 0.106 4.746 4.640 0.000 0.000 0.244 2133 D C 0.662 177.033 176.300 0.117 0.000 1.134 2133 D CA 0.041 54.103 54.000 0.103 0.000 0.881 2133 D CB 0.149 41.001 40.800 0.087 0.000 1.191 2133 D HN 0.386 nan 8.370 nan 0.000 0.445 2134 F N 4.067 124.026 119.950 0.016 0.000 2.134 2134 F HA -0.091 4.436 4.527 0.000 0.000 0.299 2134 F C 1.996 177.802 175.800 0.011 0.000 1.097 2134 F CA 1.682 59.688 58.000 0.010 0.000 1.264 2134 F CB -0.281 38.723 39.000 0.007 0.000 1.001 2134 F HN 0.487 nan 8.300 nan 0.000 0.479 2135 A N -0.648 122.184 122.820 0.021 0.000 1.898 2135 A HA -0.179 4.141 4.320 0.000 0.000 0.216 2135 A C 2.337 179.848 177.584 -0.122 0.000 1.181 2135 A CA 1.670 53.658 52.037 -0.082 0.000 0.620 2135 A CB -1.630 17.393 19.000 0.038 0.000 0.819 2135 A HN 0.554 nan 8.150 nan 0.000 0.442 2136 C N -1.064 118.201 119.300 -0.058 0.000 2.446 2136 C HA -0.067 4.393 4.460 0.000 0.000 0.277 2136 C C 3.037 177.975 174.990 -0.087 0.000 1.275 2136 C CA 1.518 60.507 59.018 -0.048 0.000 1.727 2136 C CB -1.470 26.270 27.740 0.001 0.000 2.010 2136 C HN 0.642 nan 8.230 nan 0.000 0.486 2137 T N 0.562 115.047 114.554 -0.115 0.000 2.746 2137 T HA -0.157 4.193 4.350 0.000 0.000 0.267 2137 T C 1.802 176.382 174.700 -0.200 0.000 1.039 2137 T CA 2.118 64.140 62.100 -0.129 0.000 1.142 2137 T CB -0.527 68.279 68.868 -0.102 0.000 0.866 2137 T HN 0.584 nan 8.240 nan 0.000 0.444 2138 T N 2.029 116.369 114.554 -0.357 0.000 2.746 2138 T HA -0.050 4.300 4.350 0.000 0.000 0.267 2138 T C 2.403 176.989 174.700 -0.190 0.000 1.039 2138 T CA 1.208 63.096 62.100 -0.354 0.000 1.142 2138 T CB -0.547 67.996 68.868 -0.543 0.000 0.866 2138 T HN 0.443 nan 8.240 nan 0.000 0.444 2139 A N 0.965 123.695 122.820 -0.151 0.000 1.933 2139 A HA 0.032 4.352 4.320 0.000 0.000 0.218 2139 A C 2.283 179.823 177.584 -0.072 0.000 1.175 2139 A CA 1.150 53.132 52.037 -0.091 0.000 0.628 2139 A CB -0.762 18.197 19.000 -0.067 0.000 0.814 2139 A HN 0.474 nan 8.150 nan 0.000 0.444 2140 L N -0.759 120.421 121.223 -0.072 0.000 2.056 2140 L HA -0.134 4.206 4.340 0.000 0.000 0.207 2140 L C 2.506 179.343 176.870 -0.055 0.000 1.078 2140 L CA 0.933 55.742 54.840 -0.051 0.000 0.749 2140 L CB -0.494 41.542 42.059 -0.039 0.000 0.901 2140 L HN 0.230 nan 8.230 nan 0.000 0.433 2141 V N -0.495 119.376 119.914 -0.071 0.000 2.343 2141 V HA -0.222 3.898 4.120 0.000 0.000 0.247 2141 V C 2.511 178.567 176.094 -0.063 0.000 1.051 2141 V CA 1.554 63.814 62.300 -0.066 0.000 1.036 2141 V CB -0.443 31.335 31.823 -0.074 0.000 0.654 2141 V HN 0.420 nan 8.190 nan 0.000 0.451 2142 E N 0.280 120.440 120.200 -0.068 0.000 2.150 2142 E HA -0.111 4.239 4.350 0.000 0.000 0.193 2142 E C 2.340 178.911 176.600 -0.049 0.000 0.985 2142 E CA 1.352 57.718 56.400 -0.056 0.000 0.814 2142 E CB -0.407 29.259 29.700 -0.057 0.000 0.752 2142 E HN 0.575 nan 8.360 nan 0.000 0.466 2143 A N 1.482 124.274 122.820 -0.047 0.000 1.930 2143 A HA -0.030 4.290 4.320 0.000 0.000 0.217 2143 A C 2.413 179.971 177.584 -0.044 0.000 1.175 2143 A CA 1.715 53.729 52.037 -0.039 0.000 0.627 2143 A CB -0.454 18.527 19.000 -0.032 0.000 0.815 2143 A HN 0.250 nan 8.150 nan 0.000 0.443 2144 A N -0.015 122.776 122.820 -0.050 0.000 1.972 2144 A HA -0.165 4.155 4.320 0.000 0.000 0.219 2144 A C 2.090 179.627 177.584 -0.078 0.000 1.169 2144 A CA 1.783 53.783 52.037 -0.063 0.000 0.635 2144 A CB -0.388 18.575 19.000 -0.062 0.000 0.810 2144 A HN 0.562 nan 8.150 nan 0.000 0.446 2145 K N -0.593 119.767 120.400 -0.066 0.000 2.057 2145 K HA -0.092 4.228 4.320 0.000 0.000 0.206 2145 K C 2.428 178.993 176.600 -0.059 0.000 1.050 2145 K CA 1.334 57.583 56.287 -0.063 0.000 0.935 2145 K CB -0.250 32.219 32.500 -0.051 0.000 0.715 2145 K HN 0.436 nan 8.250 nan 0.000 0.439 2146 S N 0.801 116.471 115.700 -0.049 0.000 2.368 2146 S HA -0.086 4.384 4.470 0.000 0.000 0.225 2146 S C 1.887 176.460 174.600 -0.045 0.000 1.030 2146 S CA 0.859 59.035 58.200 -0.040 0.000 0.999 2146 S CB -0.027 63.154 63.200 -0.032 0.000 0.844 2146 S HN 0.114 nan 8.310 nan 0.000 0.459 2147 I N 0.939 121.476 120.570 -0.055 0.000 2.584 2147 I HA 0.190 4.360 4.170 0.000 0.000 0.255 2147 I C 1.448 177.495 176.117 -0.116 0.000 1.145 2147 I CA 1.235 62.500 61.300 -0.059 0.000 1.462 2147 I CB -1.809 36.166 38.000 -0.042 0.000 1.102 2147 I HN 0.504 nan 8.210 nan 0.000 0.433 2148 G N 1.798 110.506 108.800 -0.154 0.000 3.405 2148 G HA2 0.198 4.158 3.960 0.000 0.000 0.676 2148 G HA3 0.198 4.158 3.960 0.000 0.000 0.676 2148 G C -0.344 174.299 174.900 -0.428 0.000 1.039 2148 G CA -0.129 44.842 45.100 -0.214 0.000 0.855 2148 G HN 0.817 nan 8.290 nan 0.000 0.443 2149 A N 1.785 124.409 122.820 -0.327 0.000 2.599 2149 A HA 0.893 5.213 4.320 0.000 0.000 0.294 2149 A C -0.016 177.464 177.584 -0.172 0.000 1.055 2149 A CA 0.134 51.959 52.037 -0.353 0.000 0.683 2149 A CB 1.069 19.900 19.000 -0.282 0.000 1.278 2149 A HN 1.582 nan 8.150 nan 0.000 0.412 2150 T N 2.798 117.290 114.554 -0.103 0.000 2.738 2150 T HA 0.499 4.849 4.350 0.000 0.000 0.293 2150 T C 0.004 174.602 174.700 -0.170 0.000 0.913 2150 T CA 0.669 62.702 62.100 -0.112 0.000 1.103 2150 T CB -0.109 68.741 68.868 -0.030 0.000 0.880 2150 T HN 0.613 nan 8.240 nan 0.000 0.526 2151 T N 4.839 119.220 114.554 -0.287 0.000 2.841 2151 T HA 0.427 4.777 4.350 0.000 0.000 0.283 2151 T C -0.577 173.852 174.700 -0.452 0.000 1.000 2151 T CA -0.807 61.142 62.100 -0.252 0.000 0.977 2151 T CB 0.957 69.746 68.868 -0.133 0.000 0.979 2151 T HN 0.540 nan 8.240 nan 0.000 0.446 2152 H N 0.707 119.786 119.070 0.014 0.000 2.637 2152 H HA 0.621 5.177 4.556 -0.000 0.000 0.363 2152 H C -1.089 174.246 175.328 0.012 0.000 1.131 2152 H CA -0.649 55.415 56.048 0.027 0.000 1.183 2152 H CB 2.030 31.816 29.762 0.040 0.000 1.637 2152 H HN 0.271 nan 8.280 nan 0.000 0.531 2153 V N 1.713 121.701 119.914 0.124 0.000 2.487 2153 V HA 0.704 4.824 4.120 0.000 0.000 0.298 2153 V C 0.417 176.550 176.094 0.064 0.000 1.028 2153 V CA -0.210 62.129 62.300 0.065 0.000 0.860 2153 V CB 1.449 33.291 31.823 0.032 0.000 0.991 2153 V HN 1.117 nan 8.190 nan 0.000 0.427 2154 G N 3.138 111.963 108.800 0.042 0.000 2.360 2154 G HA2 0.393 4.353 3.960 0.000 0.000 0.276 2154 G HA3 0.393 4.353 3.960 0.000 0.000 0.276 2154 G C -1.459 173.444 174.900 0.004 0.000 1.256 2154 G CA -0.409 44.709 45.100 0.029 0.000 0.890 2154 G HN 0.511 nan 8.290 nan 0.000 0.486 2155 V N 0.739 120.647 119.914 -0.010 0.000 2.607 2155 V HA 0.644 4.764 4.120 0.000 0.000 0.289 2155 V C 0.329 176.377 176.094 -0.078 0.000 1.053 2155 V CA 0.011 62.287 62.300 -0.040 0.000 0.996 2155 V CB 1.347 33.147 31.823 -0.038 0.000 0.995 2155 V HN 0.784 nan 8.190 nan 0.000 0.476 2156 T N 3.379 117.872 114.554 -0.102 0.000 2.863 2156 T HA 0.665 5.015 4.350 0.000 0.000 0.285 2156 T C -0.184 174.394 174.700 -0.204 0.000 1.009 2156 T CA -0.303 61.716 62.100 -0.135 0.000 0.989 2156 T CB 1.677 70.497 68.868 -0.080 0.000 1.004 2156 T HN 0.909 nan 8.240 nan 0.000 0.455 2157 A N 2.080 124.726 122.820 -0.289 0.000 2.260 2157 A HA 0.655 4.975 4.320 0.000 0.000 0.308 2157 A C 0.256 177.771 177.584 -0.116 0.000 1.254 2157 A CA -0.485 51.336 52.037 -0.359 0.000 0.874 2157 A CB 0.505 19.116 19.000 -0.649 0.000 1.153 2157 A HN 0.627 nan 8.150 nan 0.000 0.527 2158 S N 2.011 117.654 115.700 -0.096 0.000 2.498 2158 S HA 0.532 5.002 4.470 0.000 0.000 0.324 2158 S C -0.207 174.391 174.600 -0.005 0.000 1.071 2158 S CA -0.339 57.845 58.200 -0.026 0.000 1.113 2158 S CB 0.466 63.648 63.200 -0.030 0.000 0.976 2158 S HN 0.938 nan 8.310 nan 0.000 0.462 2159 S N 3.270 118.968 115.700 -0.004 0.000 2.475 2159 S HA 0.351 4.821 4.470 0.000 0.000 0.298 2159 S C 0.408 174.984 174.600 -0.041 0.000 1.119 2159 S CA -0.620 57.557 58.200 -0.038 0.000 1.085 2159 S CB 1.158 64.268 63.200 -0.151 0.000 1.028 2159 S HN 0.727 nan 8.310 nan 0.000 0.489 2160 D N 2.131 122.519 120.400 -0.020 0.000 2.371 2160 D HA 0.088 4.728 4.640 0.000 0.000 0.221 2160 D C 0.732 177.018 176.300 -0.024 0.000 0.986 2160 D CA 0.840 54.836 54.000 -0.007 0.000 0.899 2160 D CB 0.167 40.982 40.800 0.025 0.000 0.902 2160 D HN 0.707 nan 8.370 nan 0.000 0.530 2161 T N -4.013 110.492 114.554 -0.082 0.000 2.906 2161 T HA 0.282 4.632 4.350 0.000 0.000 0.295 2161 T C 0.482 175.115 174.700 -0.111 0.000 1.061 2161 T CA -0.880 61.182 62.100 -0.063 0.000 1.000 2161 T CB 1.226 70.048 68.868 -0.076 0.000 1.103 2161 T HN -0.140 nan 8.240 nan 0.000 0.486 2162 F N 0.228 120.040 119.950 -0.229 0.000 2.416 2162 F HA 0.208 4.735 4.527 -0.000 0.000 0.296 2162 F C 0.942 176.408 175.800 -0.558 0.000 1.099 2162 F CA 0.693 58.439 58.000 -0.424 0.000 1.427 2162 F CB -0.090 38.589 39.000 -0.536 0.000 1.079 2162 F HN 0.701 nan 8.300 nan 0.000 0.536 2163 Y N 0.454 120.698 120.300 -0.095 0.000 2.435 2163 Y HA 0.156 4.706 4.550 -0.000 0.000 0.251 2163 Y C -0.480 175.231 175.900 -0.315 0.000 1.077 2163 Y CA 0.360 58.358 58.100 -0.169 0.000 1.243 2163 Y CB -1.781 36.668 38.460 -0.018 0.000 1.107 2163 Y HN -0.245 nan 8.280 nan 0.000 0.496 2164 P HA -0.076 nan 4.420 nan 0.000 0.219 2164 P C 1.450 178.430 177.300 -0.533 0.000 1.150 2164 P CA 2.097 65.049 63.100 -0.247 0.000 0.814 2164 P CB -0.180 31.449 31.700 -0.118 0.000 0.787 2165 G N 0.073 108.434 108.800 -0.733 0.000 2.509 2165 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 2165 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 2165 G C 1.322 175.733 174.900 -0.815 0.000 1.124 2165 G CA 0.290 44.656 45.100 -1.224 0.000 0.776 2165 G HN 0.378 nan 8.290 nan 0.000 0.547 2166 Q N -0.503 118.823 119.800 -0.790 0.000 2.189 2166 Q HA 0.207 4.548 4.340 0.000 0.000 0.221 2166 Q C -0.033 175.603 176.000 -0.607 0.000 0.848 2166 Q CA -0.303 54.779 55.803 -1.202 0.000 1.007 2166 Q CB 0.465 28.385 28.738 -1.363 0.000 1.116 2166 Q HN 0.579 nan 8.270 nan 0.000 0.481 2167 E N 1.778 121.754 120.200 -0.375 0.000 2.199 2167 E HA -0.245 4.105 4.350 0.000 0.000 0.208 2167 E C -0.886 175.494 176.600 -0.366 0.000 1.310 2167 E CA 0.165 56.398 56.400 -0.278 0.000 0.709 2167 E CB -0.298 29.404 29.700 0.004 0.000 1.127 2167 E HN 0.333 nan 8.360 nan 0.000 0.354 2168 R N 0.080 120.346 120.500 -0.390 0.000 2.349 2168 R HA 0.203 4.543 4.340 0.000 0.000 0.299 2168 R C 0.227 176.328 176.300 -0.332 0.000 1.027 2168 R CA -0.170 55.792 56.100 -0.230 0.000 0.958 2168 R CB 0.510 30.758 30.300 -0.087 0.000 1.047 2168 R HN 0.222 nan 8.270 nan 0.000 0.468 2169 Y N -0.498 119.838 120.300 0.060 0.000 2.430 2169 Y HA 0.090 4.640 4.550 0.000 0.000 0.248 2169 Y C 0.276 176.209 175.900 0.054 0.000 1.108 2169 Y CA -0.241 57.889 58.100 0.050 0.000 1.264 2169 Y CB 0.618 39.097 38.460 0.031 0.000 1.172 2169 Y HN 0.477 nan 8.280 nan 0.000 0.520 2170 D N 1.791 122.309 120.400 0.195 0.000 2.745 2170 D HA 0.040 4.680 4.640 0.000 0.000 0.229 2170 D C 0.419 176.778 176.300 0.098 0.000 1.088 2170 D CA 0.479 54.569 54.000 0.151 0.000 1.054 2170 D CB -0.360 40.543 40.800 0.171 0.000 1.132 2170 D HN 0.280 nan 8.370 nan 0.000 0.464 2171 T N -3.646 110.937 114.554 0.048 0.000 2.887 2171 T HA 0.172 4.522 4.350 0.000 0.000 0.292 2171 T C 0.982 175.686 174.700 0.007 0.000 1.087 2171 T CA -0.859 61.213 62.100 -0.047 0.000 1.009 2171 T CB 1.088 69.907 68.868 -0.082 0.000 1.203 2171 T HN 0.009 nan 8.240 nan 0.000 0.518 2172 Y N 1.806 122.032 120.300 -0.123 0.000 2.114 2172 Y HA -0.147 4.403 4.550 -0.000 0.000 0.282 2172 Y C 2.722 178.601 175.900 -0.035 0.000 1.165 2172 Y CA 2.803 60.858 58.100 -0.075 0.000 1.148 2172 Y CB -0.532 37.875 38.460 -0.089 0.000 0.972 2172 Y HN 0.778 nan 8.280 nan 0.000 0.504 2173 S N -1.406 114.229 115.700 -0.107 0.000 2.458 2173 S HA 0.187 4.657 4.470 0.000 0.000 0.223 2173 S C 1.892 176.450 174.600 -0.070 0.000 1.019 2173 S CA 0.568 58.673 58.200 -0.159 0.000 0.937 2173 S CB -0.487 62.699 63.200 -0.022 0.000 0.788 2173 S HN 0.978 nan 8.310 nan 0.000 0.511 2174 G N 2.160 110.962 108.800 0.004 0.000 2.166 2174 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 2174 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 2174 G C 0.024 175.045 174.900 0.201 0.000 0.986 2174 G CA 0.540 45.700 45.100 0.099 0.000 0.683 2174 G HN 1.028 nan 8.290 nan 0.000 0.527 2175 R N -1.688 118.893 120.500 0.135 0.000 2.888 2175 R HA 0.855 5.195 4.340 0.000 0.000 0.266 2175 R C -1.199 175.157 176.300 0.093 0.000 1.020 2175 R CA -1.014 55.186 56.100 0.167 0.000 0.963 2175 R CB 2.120 32.476 30.300 0.094 0.000 1.197 2175 R HN 0.308 nan 8.270 nan 0.000 0.481 2176 V N 1.708 121.698 119.914 0.125 0.000 2.760 2176 V HA 0.279 4.399 4.120 0.000 0.000 0.309 2176 V C -0.171 175.998 176.094 0.126 0.000 1.077 2176 V CA -1.066 61.274 62.300 0.066 0.000 0.910 2176 V CB 1.920 33.728 31.823 -0.026 0.000 1.008 2176 V HN 0.673 nan 8.190 nan 0.000 0.424 2177 V N 5.221 125.222 119.914 0.144 0.000 2.999 2177 V HA 0.093 4.213 4.120 0.000 0.000 0.307 2177 V C 1.845 178.010 176.094 0.118 0.000 1.084 2177 V CA 0.737 63.117 62.300 0.134 0.000 1.155 2177 V CB 0.989 32.906 31.823 0.157 0.000 0.975 2177 V HN 0.962 nan 8.190 nan 0.000 0.490 2178 R N 3.520 124.057 120.500 0.062 0.000 2.134 2178 R HA -0.242 4.098 4.340 0.000 0.000 0.248 2178 R C 2.286 178.572 176.300 -0.024 0.000 1.143 2178 R CA 2.637 58.751 56.100 0.024 0.000 0.957 2178 R CB -0.405 29.897 30.300 0.003 0.000 0.867 2178 R HN 0.836 nan 8.270 nan 0.000 0.441 2179 R N -0.752 119.692 120.500 -0.094 0.000 2.139 2179 R HA -0.171 4.169 4.340 0.000 0.000 0.243 2179 R C 1.234 177.291 176.300 -0.405 0.000 1.145 2179 R CA 1.934 57.856 56.100 -0.296 0.000 0.976 2179 R CB -0.158 29.871 30.300 -0.452 0.000 0.866 2179 R HN 0.286 nan 8.270 nan 0.000 0.449 2180 F N 0.420 120.394 119.950 0.040 0.000 2.704 2180 F HA 0.294 4.821 4.527 -0.000 0.000 0.304 2180 F C 0.292 176.110 175.800 0.030 0.000 1.094 2180 F CA -0.208 57.819 58.000 0.045 0.000 1.275 2180 F CB 0.336 39.365 39.000 0.049 0.000 1.073 2180 F HN -0.285 nan 8.300 nan 0.000 0.586 2181 K N 0.830 121.329 120.400 0.165 0.000 2.430 2181 K HA 0.268 4.588 4.320 0.000 0.000 0.280 2181 K C 1.210 177.862 176.600 0.087 0.000 1.063 2181 K CA 0.892 57.269 56.287 0.150 0.000 1.071 2181 K CB -0.135 32.431 32.500 0.110 0.000 0.899 2181 K HN 0.386 nan 8.250 nan 0.000 0.473 2182 G N 1.874 110.740 108.800 0.111 0.000 2.179 2182 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 2182 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 2182 G C 0.970 175.848 174.900 -0.037 0.000 0.977 2182 G CA 0.697 45.819 45.100 0.037 0.000 0.641 2182 G HN 0.673 nan 8.290 nan 0.000 0.533 2183 S N -0.595 115.098 115.700 -0.010 0.000 2.387 2183 S HA 0.057 4.527 4.470 0.000 0.000 0.226 2183 S C 2.265 176.733 174.600 -0.220 0.000 1.026 2183 S CA 1.621 59.701 58.200 -0.199 0.000 0.972 2183 S CB -0.265 62.981 63.200 0.077 0.000 0.814 2183 S HN 0.663 nan 8.310 nan 0.000 0.477 2184 M N 1.571 121.244 119.600 0.122 0.000 2.117 2184 M HA -0.111 4.369 4.480 0.000 0.000 0.262 2184 M C 2.122 178.473 176.300 0.085 0.000 1.065 2184 M CA 1.802 57.251 55.300 0.248 0.000 1.114 2184 M CB -0.283 32.501 32.600 0.306 0.000 1.361 2184 M HN 0.362 nan 8.290 nan 0.000 0.408 2185 E N -0.119 120.095 120.200 0.025 0.000 2.150 2185 E HA -0.204 4.146 4.350 0.000 0.000 0.193 2185 E C 1.813 178.378 176.600 -0.057 0.000 0.985 2185 E CA 1.288 57.688 56.400 -0.001 0.000 0.814 2185 E CB -0.133 29.568 29.700 0.001 0.000 0.752 2185 E HN 0.673 nan 8.360 nan 0.000 0.466 2186 E N 0.254 120.346 120.200 -0.179 0.000 2.031 2186 E HA -0.184 4.166 4.350 0.000 0.000 0.193 2186 E C 1.852 178.353 176.600 -0.164 0.000 0.994 2186 E CA 1.222 57.459 56.400 -0.272 0.000 0.800 2186 E CB -0.184 29.203 29.700 -0.522 0.000 0.752 2186 E HN 0.392 nan 8.360 nan 0.000 0.447 2187 W N 1.382 122.687 121.300 0.008 0.000 2.358 2187 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 2187 W C 2.585 179.071 176.519 -0.055 0.000 1.208 2187 W CA 0.457 57.780 57.345 -0.037 0.000 1.274 2187 W CB -0.205 29.196 29.460 -0.098 0.000 1.138 2187 W HN 0.180 nan 8.180 nan 0.000 0.515 2188 Q N 0.902 120.789 119.800 0.146 0.000 2.061 2188 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 2188 Q C 2.359 178.396 176.000 0.062 0.000 0.984 2188 Q CA 2.133 57.978 55.803 0.070 0.000 0.846 2188 Q CB -0.418 28.346 28.738 0.043 0.000 0.902 2188 Q HN 0.267 nan 8.270 nan 0.000 0.421 2189 A N 0.217 123.065 122.820 0.047 0.000 2.015 2189 A HA -0.092 4.228 4.320 0.000 0.000 0.219 2189 A C 1.792 179.406 177.584 0.051 0.000 1.163 2189 A CA 1.138 53.196 52.037 0.034 0.000 0.646 2189 A CB -0.303 18.701 19.000 0.007 0.000 0.806 2189 A HN 0.460 nan 8.150 nan 0.000 0.448 2190 M N -1.179 118.472 119.600 0.086 0.000 2.561 2190 M HA 0.180 4.660 4.480 0.000 0.000 0.238 2190 M C 1.298 177.652 176.300 0.090 0.000 1.131 2190 M CA 0.715 56.078 55.300 0.104 0.000 1.046 2190 M CB 0.238 32.948 32.600 0.183 0.000 1.532 2190 M HN 0.590 nan 8.290 nan 0.000 0.497 2191 G N 0.653 109.498 108.800 0.076 0.000 2.159 2191 G HA2 -0.209 3.751 3.960 0.000 0.000 0.256 2191 G HA3 -0.209 3.751 3.960 0.000 0.000 0.256 2191 G C 0.094 175.016 174.900 0.037 0.000 0.977 2191 G CA -0.179 44.956 45.100 0.059 0.000 0.652 2191 G HN 0.320 nan 8.290 nan 0.000 0.531 2192 V N 1.778 121.714 119.914 0.037 0.000 2.599 2192 V HA 0.191 4.311 4.120 0.000 0.000 0.300 2192 V C 1.863 177.908 176.094 -0.082 0.000 1.034 2192 V CA 1.085 63.364 62.300 -0.036 0.000 1.115 2192 V CB 1.227 33.013 31.823 -0.062 0.000 0.934 2192 V HN 0.394 nan 8.190 nan 0.000 0.485 2193 M N 3.190 122.726 119.600 -0.106 0.000 2.287 2193 M HA 0.101 4.581 4.480 0.000 0.000 0.266 2193 M C 0.599 176.796 176.300 -0.172 0.000 1.079 2193 M CA 0.983 56.206 55.300 -0.129 0.000 1.146 2193 M CB 0.003 32.547 32.600 -0.094 0.000 1.374 2193 M HN 0.965 nan 8.290 nan 0.000 0.435 2194 N N -1.739 116.838 118.700 -0.205 0.000 3.127 2194 N HA 0.141 4.881 4.740 0.000 0.000 0.239 2194 N C -2.030 173.329 175.510 -0.252 0.000 1.407 2194 N CA -0.652 52.283 53.050 -0.191 0.000 0.891 2194 N CB 1.089 39.519 38.487 -0.094 0.000 1.447 2194 N HN -0.116 nan 8.380 nan 0.000 0.507 2195 Y N -0.107 120.134 120.300 -0.097 0.000 2.387 2195 Y HA 0.520 5.070 4.550 -0.000 0.000 0.336 2195 Y C 0.422 176.259 175.900 -0.105 0.000 1.067 2195 Y CA -0.048 57.979 58.100 -0.123 0.000 1.114 2195 Y CB 1.555 39.924 38.460 -0.152 0.000 1.208 2195 Y HN 0.825 nan 8.280 nan 0.000 0.458 2196 E N -0.172 120.084 120.200 0.093 0.000 2.343 2196 E HA 0.495 4.846 4.350 0.000 0.000 0.257 2196 E C -1.102 175.510 176.600 0.020 0.000 1.079 2196 E CA -0.713 55.710 56.400 0.040 0.000 0.891 2196 E CB 1.060 30.775 29.700 0.025 0.000 1.732 2196 E HN 0.445 nan 8.360 nan 0.000 0.465 2197 M N -0.574 119.035 119.600 0.016 0.000 2.340 2197 M HA 0.336 4.816 4.480 0.000 0.000 0.345 2197 M C -0.163 176.139 176.300 0.004 0.000 1.008 2197 M CA 0.209 55.513 55.300 0.007 0.000 0.987 2197 M CB 0.709 33.320 32.600 0.018 0.000 1.598 2197 M HN 0.508 nan 8.290 nan 0.000 0.569 2198 E N -0.681 119.520 120.200 0.002 0.000 2.536 2198 E HA 0.073 4.423 4.350 0.000 0.000 0.220 2198 E C 1.790 178.382 176.600 -0.014 0.000 0.876 2198 E CA 0.536 56.934 56.400 -0.003 0.000 1.190 2198 E CB 0.422 30.123 29.700 0.003 0.000 1.191 2198 E HN 0.303 nan 8.360 nan 0.000 0.557 2199 S N 0.637 116.330 115.700 -0.012 0.000 2.402 2199 S HA -0.023 4.447 4.470 0.000 0.000 0.229 2199 S C 2.193 176.781 174.600 -0.020 0.000 1.021 2199 S CA 0.828 59.018 58.200 -0.017 0.000 0.974 2199 S CB -0.168 63.023 63.200 -0.014 0.000 0.800 2199 S HN 0.214 nan 8.310 nan 0.000 0.484 2200 A N 1.877 124.688 122.820 -0.015 0.000 1.902 2200 A HA -0.032 4.288 4.320 0.000 0.000 0.217 2200 A C 2.432 180.014 177.584 -0.004 0.000 1.181 2200 A CA 2.127 54.163 52.037 -0.002 0.000 0.623 2200 A CB -1.684 17.319 19.000 0.006 0.000 0.818 2200 A HN 0.562 nan 8.150 nan 0.000 0.443 2201 T N 0.049 114.594 114.554 -0.015 0.000 2.708 2201 T HA -0.129 4.221 4.350 0.000 0.000 0.266 2201 T C 1.872 176.493 174.700 -0.133 0.000 1.037 2201 T CA 1.530 63.606 62.100 -0.040 0.000 1.146 2201 T CB -0.414 68.440 68.868 -0.023 0.000 0.865 2201 T HN 0.339 nan 8.240 nan 0.000 0.435 2202 L N 1.077 122.229 121.223 -0.119 0.000 1.989 2202 L HA 0.001 4.341 4.340 0.000 0.000 0.211 2202 L C 2.184 178.961 176.870 -0.156 0.000 1.071 2202 L CA 1.706 56.444 54.840 -0.170 0.000 0.749 2202 L CB -0.727 41.268 42.059 -0.108 0.000 0.890 2202 L HN 0.246 nan 8.230 nan 0.000 0.431 2203 L N -1.318 119.861 121.223 -0.073 0.000 2.093 2203 L HA -0.171 4.169 4.340 0.000 0.000 0.208 2203 L C 2.338 179.202 176.870 -0.009 0.000 1.085 2203 L CA 1.618 56.443 54.840 -0.025 0.000 0.755 2203 L CB -1.165 40.901 42.059 0.012 0.000 0.904 2203 L HN 0.304 nan 8.230 nan 0.000 0.435 2204 T N 0.591 115.135 114.554 -0.016 0.000 2.737 2204 T HA -0.193 4.157 4.350 0.000 0.000 0.265 2204 T C 1.868 176.470 174.700 -0.164 0.000 1.038 2204 T CA 1.820 63.928 62.100 0.014 0.000 1.144 2204 T CB -0.218 68.683 68.868 0.054 0.000 0.866 2204 T HN 0.440 nan 8.240 nan 0.000 0.434 2205 M N 0.184 119.554 119.600 -0.383 0.000 2.229 2205 M HA 0.002 4.482 4.480 0.000 0.000 0.264 2205 M C 2.184 178.217 176.300 -0.445 0.000 1.063 2205 M CA 1.440 56.277 55.300 -0.772 0.000 1.114 2205 M CB -1.017 30.679 32.600 -1.507 0.000 1.387 2205 M HN 0.172 nan 8.290 nan 0.000 0.420 2206 C N 1.332 120.460 119.300 -0.286 0.000 2.500 2206 C HA 0.191 4.651 4.460 0.000 0.000 0.279 2206 C C 3.262 178.232 174.990 -0.033 0.000 1.288 2206 C CA 0.960 59.887 59.018 -0.152 0.000 1.710 2206 C CB -1.078 26.600 27.740 -0.104 0.000 2.052 2206 C HN 0.760 nan 8.230 nan 0.000 0.488 2207 A N 0.993 123.831 122.820 0.029 0.000 2.070 2207 A HA -0.115 4.205 4.320 0.000 0.000 0.220 2207 A C 2.119 179.808 177.584 0.176 0.000 1.159 2207 A CA 2.053 54.183 52.037 0.156 0.000 0.656 2207 A CB -0.544 18.627 19.000 0.284 0.000 0.800 2207 A HN 0.711 nan 8.150 nan 0.000 0.453 2208 S N -2.004 113.680 115.700 -0.028 0.000 2.556 2208 S HA 0.182 4.652 4.470 0.000 0.000 0.216 2208 S C 0.939 175.496 174.600 -0.072 0.000 0.970 2208 S CA 0.184 58.275 58.200 -0.181 0.000 0.912 2208 S CB 0.114 62.976 63.200 -0.562 0.000 0.790 2208 S HN 0.624 nan 8.310 nan 0.000 0.504 2209 Q N 0.281 120.061 119.800 -0.034 0.000 2.093 2209 Q HA 0.338 4.678 4.340 0.000 0.000 0.217 2209 Q C 0.621 176.634 176.000 0.023 0.000 0.785 2209 Q CA 0.076 55.875 55.803 -0.007 0.000 1.038 2209 Q CB 1.125 29.845 28.738 -0.031 0.000 1.190 2209 Q HN 0.644 nan 8.270 nan 0.000 0.468 2210 G N 1.557 110.382 108.800 0.041 0.000 2.176 2210 G HA2 -0.267 3.693 3.960 0.000 0.000 0.252 2210 G HA3 -0.267 3.693 3.960 0.000 0.000 0.252 2210 G C -0.156 174.785 174.900 0.067 0.000 1.024 2210 G CA 0.192 45.325 45.100 0.056 0.000 0.755 2210 G HN 0.242 nan 8.290 nan 0.000 0.507 2211 L N -0.566 120.700 121.223 0.071 0.000 2.334 2211 L HA 0.660 5.000 4.340 0.000 0.000 0.273 2211 L C 0.934 177.880 176.870 0.127 0.000 1.013 2211 L CA -1.171 53.743 54.840 0.124 0.000 0.816 2211 L CB 1.421 43.576 42.059 0.161 0.000 1.278 2211 L HN 0.057 nan 8.230 nan 0.000 0.431 2212 R N 1.674 122.267 120.500 0.154 0.000 2.297 2212 R HA 0.772 5.112 4.340 0.000 0.000 0.308 2212 R C -0.728 175.676 176.300 0.174 0.000 1.029 2212 R CA -0.497 55.680 56.100 0.129 0.000 0.929 2212 R CB 1.602 31.955 30.300 0.088 0.000 1.046 2212 R HN 0.713 nan 8.270 nan 0.000 0.461 2213 A N 1.391 124.285 122.820 0.123 0.000 2.475 2213 A HA 0.809 5.129 4.320 0.000 0.000 0.301 2213 A C -0.755 176.872 177.584 0.072 0.000 1.059 2213 A CA -0.633 51.476 52.037 0.121 0.000 0.710 2213 A CB 2.225 21.271 19.000 0.077 0.000 1.288 2213 A HN 0.764 nan 8.150 nan 0.000 0.408 2214 G N -0.418 108.420 108.800 0.064 0.000 2.680 2214 G HA2 0.711 4.671 3.960 0.000 0.000 0.290 2214 G HA3 0.711 4.671 3.960 0.000 0.000 0.290 2214 G C -1.219 173.700 174.900 0.032 0.000 1.355 2214 G CA -0.534 44.586 45.100 0.033 0.000 0.903 2214 G HN 1.308 nan 8.290 nan 0.000 0.474 2215 M N 1.333 120.943 119.600 0.017 0.000 2.224 2215 M HA 0.685 5.165 4.480 0.000 0.000 0.281 2215 M C -1.898 174.409 176.300 0.010 0.000 1.025 2215 M CA -0.745 54.564 55.300 0.016 0.000 0.954 2215 M CB 1.907 34.513 32.600 0.010 0.000 1.639 2215 M HN 0.790 nan 8.290 nan 0.000 0.461 2216 V N 4.114 124.036 119.914 0.013 0.000 2.925 2216 V HA 1.059 5.179 4.120 0.000 0.000 0.311 2216 V C -1.639 174.465 176.094 0.016 0.000 1.104 2216 V CA 0.192 62.500 62.300 0.013 0.000 0.954 2216 V CB 1.986 33.815 31.823 0.010 0.000 1.022 2216 V HN 1.260 nan 8.190 nan 0.000 0.427 2217 A N 3.582 126.414 122.820 0.020 0.000 2.572 2217 A HA 0.907 5.227 4.320 0.000 0.000 0.295 2217 A C -0.268 177.333 177.584 0.029 0.000 1.072 2217 A CA -0.168 51.881 52.037 0.021 0.000 0.691 2217 A CB 1.832 20.842 19.000 0.017 0.000 1.291 2217 A HN 1.645 nan 8.150 nan 0.000 0.404 2218 G N 0.066 108.882 108.800 0.026 0.000 2.332 2218 G HA2 0.526 4.486 3.960 0.000 0.000 0.310 2218 G HA3 0.526 4.486 3.960 0.000 0.000 0.310 2218 G C -0.463 174.452 174.900 0.025 0.000 1.123 2218 G CA -0.349 44.769 45.100 0.030 0.000 0.873 2218 G HN 0.923 nan 8.290 nan 0.000 0.460 2219 V N 3.815 123.746 119.914 0.029 0.000 2.470 2219 V HA 0.091 4.211 4.120 0.000 0.000 0.276 2219 V C 1.400 177.503 176.094 0.016 0.000 1.040 2219 V CA 0.101 62.412 62.300 0.018 0.000 1.008 2219 V CB 0.718 32.550 31.823 0.014 0.000 0.990 2219 V HN 0.772 nan 8.190 nan 0.000 0.477 2220 I N 3.190 123.769 120.570 0.016 0.000 4.057 2220 I HA 0.522 4.692 4.170 0.000 0.000 0.334 2220 I C 0.223 176.351 176.117 0.019 0.000 1.308 2220 I CA 0.318 61.628 61.300 0.017 0.000 1.125 2220 I CB 1.033 39.047 38.000 0.023 0.000 1.034 2220 I HN 0.426 nan 8.210 nan 0.000 0.401 2221 V N 1.387 121.309 119.914 0.014 0.000 3.077 2221 V HA 0.407 4.527 4.120 0.000 0.000 0.299 2221 V C -1.773 174.321 176.094 0.001 0.000 1.276 2221 V CA -0.635 61.672 62.300 0.012 0.000 0.993 2221 V CB 2.345 34.179 31.823 0.019 0.000 1.076 2221 V HN 0.355 nan 8.190 nan 0.000 0.434 2222 N N 4.760 123.459 118.700 -0.001 0.000 2.469 2222 N HA 0.374 5.114 4.740 0.000 0.000 0.253 2222 N C 0.648 176.160 175.510 0.003 0.000 0.970 2222 N CA -0.556 52.487 53.050 -0.012 0.000 0.940 2222 N CB 1.577 40.051 38.487 -0.022 0.000 1.128 2222 N HN 0.598 nan 8.380 nan 0.000 0.503 2223 R N 1.034 121.541 120.500 0.012 0.000 2.235 2223 R HA -0.044 4.296 4.340 0.000 0.000 0.213 2223 R C 1.524 177.847 176.300 0.039 0.000 1.059 2223 R CA 0.901 57.022 56.100 0.035 0.000 0.997 2223 R CB -0.770 29.576 30.300 0.076 0.000 0.884 2223 R HN 0.691 nan 8.270 nan 0.000 0.462 2224 T N -2.702 111.865 114.554 0.021 0.000 3.072 2224 T HA -0.048 4.302 4.350 0.000 0.000 0.266 2224 T C 1.575 176.289 174.700 0.023 0.000 1.127 2224 T CA 0.877 62.991 62.100 0.023 0.000 1.107 2224 T CB 0.184 69.057 68.868 0.009 0.000 0.910 2224 T HN 0.239 nan 8.240 nan 0.000 0.513 2225 Q N -0.385 119.427 119.800 0.020 0.000 2.369 2225 Q HA 0.359 4.699 4.340 0.000 0.000 0.254 2225 Q C 0.533 176.548 176.000 0.026 0.000 0.858 2225 Q CA -0.076 55.739 55.803 0.020 0.000 0.961 2225 Q CB 0.943 29.690 28.738 0.015 0.000 1.119 2225 Q HN 0.610 nan 8.270 nan 0.000 0.538 2226 Q N -0.507 119.310 119.800 0.028 0.000 2.386 2226 Q HA 0.140 4.480 4.340 0.000 0.000 0.274 2226 Q C -0.747 175.273 176.000 0.033 0.000 1.011 2226 Q CA -0.068 55.755 55.803 0.032 0.000 0.867 2226 Q CB 1.763 30.518 28.738 0.028 0.000 1.409 2226 Q HN 0.084 nan 8.270 nan 0.000 0.395 2227 E N 2.885 123.110 120.200 0.042 0.000 2.132 2227 E HA 0.210 4.560 4.350 0.000 0.000 0.193 2227 E C -0.065 176.556 176.600 0.035 0.000 0.951 2227 E CA 0.197 56.617 56.400 0.033 0.000 0.843 2227 E CB 0.431 30.168 29.700 0.061 0.000 0.807 2227 E HN 0.640 nan 8.360 nan 0.000 0.467 2228 I N 3.334 123.946 120.570 0.070 0.000 2.325 2228 I HA 0.239 4.409 4.170 0.000 0.000 0.291 2228 I C -2.123 174.038 176.117 0.074 0.000 1.019 2228 I CA -2.263 59.095 61.300 0.098 0.000 1.302 2228 I CB 1.013 39.081 38.000 0.112 0.000 1.401 2228 I HN -0.019 nan 8.210 nan 0.000 0.485 2238 E N 2.445 122.613 120.200 -0.053 0.000 2.266 2238 E HA 0.513 4.863 4.350 0.000 0.000 0.277 2238 E C 0.315 176.872 176.600 -0.072 0.000 1.018 2238 E CA -0.205 56.162 56.400 -0.055 0.000 0.840 2238 E CB 1.475 31.149 29.700 -0.043 0.000 1.082 2238 E HN 0.714 nan 8.360 nan 0.000 0.395 2239 S N 1.792 117.446 115.700 -0.077 0.000 2.587 2239 S HA 0.039 4.509 4.470 0.000 0.000 0.260 2239 S C 1.043 175.607 174.600 -0.060 0.000 1.353 2239 S CA 0.028 58.157 58.200 -0.118 0.000 0.995 2239 S CB 0.347 63.502 63.200 -0.076 0.000 0.912 2239 S HN 0.586 nan 8.310 nan 0.000 0.568 2240 H N 0.849 119.913 119.070 -0.011 0.000 2.352 2240 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 2240 H C 2.440 177.760 175.328 -0.013 0.000 1.097 2240 H CA 1.399 57.440 56.048 -0.012 0.000 1.311 2240 H CB -0.418 29.338 29.762 -0.010 0.000 1.377 2240 H HN 0.768 nan 8.280 nan 0.000 0.504 2241 A N 0.532 123.417 122.820 0.108 0.000 1.908 2241 A HA -0.157 4.163 4.320 0.000 0.000 0.218 2241 A C 2.593 180.195 177.584 0.031 0.000 1.181 2241 A CA 1.692 53.763 52.037 0.057 0.000 0.627 2241 A CB -0.789 18.235 19.000 0.039 0.000 0.818 2241 A HN 0.230 nan 8.150 nan 0.000 0.445 2242 V N 0.152 120.077 119.914 0.018 0.000 2.358 2242 V HA -0.247 3.873 4.120 0.000 0.000 0.246 2242 V C 2.421 178.518 176.094 0.005 0.000 1.047 2242 V CA 2.242 64.543 62.300 0.001 0.000 1.035 2242 V CB -0.633 31.180 31.823 -0.017 0.000 0.658 2242 V HN 0.530 nan 8.190 nan 0.000 0.452 2243 K N -0.312 120.100 120.400 0.019 0.000 2.147 2243 K HA -0.112 4.208 4.320 0.000 0.000 0.205 2243 K C 2.023 178.632 176.600 0.015 0.000 1.049 2243 K CA 1.473 57.773 56.287 0.020 0.000 0.936 2243 K CB -0.288 32.239 32.500 0.044 0.000 0.722 2243 K HN 0.411 nan 8.250 nan 0.000 0.446 2244 I N 0.218 120.801 120.570 0.021 0.000 2.252 2244 I HA -0.228 3.942 4.170 0.000 0.000 0.245 2244 I C 2.311 178.427 176.117 -0.002 0.000 1.102 2244 I CA 0.702 62.005 61.300 0.005 0.000 1.385 2244 I CB -0.112 37.892 38.000 0.006 0.000 1.064 2244 I HN -0.052 nan 8.210 nan 0.000 0.414 2245 V N 0.275 120.190 119.914 0.002 0.000 2.515 2245 V HA -0.190 3.930 4.120 0.000 0.000 0.250 2245 V C 2.324 178.414 176.094 -0.006 0.000 1.058 2245 V CA 1.559 63.858 62.300 -0.001 0.000 1.064 2245 V CB 0.191 32.016 31.823 0.004 0.000 0.675 2245 V HN 0.205 nan 8.190 nan 0.000 0.461 2246 V N 0.033 119.943 119.914 -0.007 0.000 2.358 2246 V HA -0.190 3.930 4.120 0.000 0.000 0.246 2246 V C 2.504 178.592 176.094 -0.011 0.000 1.047 2246 V CA 2.192 64.486 62.300 -0.010 0.000 1.035 2246 V CB -0.647 31.170 31.823 -0.011 0.000 0.658 2246 V HN 0.665 nan 8.190 nan 0.000 0.452 2247 E N 0.995 121.189 120.200 -0.010 0.000 2.110 2247 E HA -0.179 4.171 4.350 0.000 0.000 0.193 2247 E C 2.084 178.673 176.600 -0.018 0.000 0.988 2247 E CA 1.702 58.094 56.400 -0.013 0.000 0.804 2247 E CB -0.461 29.230 29.700 -0.014 0.000 0.745 2247 E HN 0.506 nan 8.360 nan 0.000 0.458 2248 A N 0.842 123.650 122.820 -0.019 0.000 1.902 2248 A HA -0.017 4.303 4.320 0.000 0.000 0.217 2248 A C 2.476 180.046 177.584 -0.023 0.000 1.181 2248 A CA 2.014 54.036 52.037 -0.025 0.000 0.623 2248 A CB -1.093 17.892 19.000 -0.025 0.000 0.818 2248 A HN 0.397 nan 8.150 nan 0.000 0.443 2249 A N 0.174 122.983 122.820 -0.019 0.000 1.917 2249 A HA -0.242 4.078 4.320 0.000 0.000 0.219 2249 A C 2.207 179.779 177.584 -0.020 0.000 1.182 2249 A CA 1.743 53.767 52.037 -0.020 0.000 0.633 2249 A CB -0.569 18.420 19.000 -0.018 0.000 0.819 2249 A HN 0.588 nan 8.150 nan 0.000 0.448 2250 R N -0.734 119.756 120.500 -0.017 0.000 2.117 2250 R HA -0.160 4.180 4.340 0.000 0.000 0.243 2250 R C 2.199 178.489 176.300 -0.016 0.000 1.143 2250 R CA 1.777 57.868 56.100 -0.015 0.000 0.968 2250 R CB -0.323 29.969 30.300 -0.013 0.000 0.863 2250 R HN 0.524 nan 8.270 nan 0.000 0.444 2251 R N 0.218 120.706 120.500 -0.020 0.000 2.276 2251 R HA 0.057 4.397 4.340 0.000 0.000 0.203 2251 R C 1.551 177.839 176.300 -0.020 0.000 1.017 2251 R CA 0.566 56.654 56.100 -0.021 0.000 1.010 2251 R CB 0.145 30.428 30.300 -0.027 0.000 0.900 2251 R HN 0.208 nan 8.270 nan 0.000 0.469 2252 L N 0.215 121.426 121.223 -0.021 0.000 2.693 2252 L HA 0.215 4.555 4.340 0.000 0.000 0.235 2252 L C 0.551 177.409 176.870 -0.020 0.000 1.127 2252 L CA -0.209 54.619 54.840 -0.020 0.000 0.914 2252 L CB 0.205 42.250 42.059 -0.023 0.000 1.193 2252 L HN 0.043 nan 8.230 nan 0.000 0.502 2253 L N 0.000 121.211 121.223 -0.019 0.000 2.949 2253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2253 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 2253 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502