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 1lv8_1_F DATA FIRST_RESID 2003 DATA SEQUENCE NGYTYEDYQD TAKWLLSHTE QRPQVAVICG SGLGGLVNKL TQAQTFDYSE DATA SEQUENCE IPNFPESTVP GHAGRLVFGI LNGRACVMMQ GRFHMYEGYP FWKVTFPVRV DATA SEQUENCE FRLLGVETLV VTNAAGGLNP NFEVGDIMLI RDHINLPGFS GQNPLRGPNE DATA SEQUENCE ERFGVRFPAM SDAYDRDMRQ KAHSTWKQMG EQRELQEGTY VMLGGPNFET DATA SEQUENCE VAECRLLRNL GADAVGMSTV PEVIVARHCG LRVFGFSLIT NKVIMDXXXX DATA SEQUENCE XXXXXXXXXX XXKQAAQKLE QFVSLLMASI PV 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2003 N C 0.000 174.739 175.510 -1.285 0.000 1.280 2003 N CA 0.000 52.296 53.050 -1.256 0.000 0.885 2003 N CB 0.000 38.288 38.487 -0.333 0.000 1.341 2004 G N 1.280 108.764 108.800 -2.193 0.000 3.337 2004 G HA2 0.166 4.126 3.960 0.000 0.000 0.246 2004 G HA3 0.166 4.126 3.960 0.000 0.000 0.246 2004 G C -0.610 173.808 174.900 -0.802 0.000 1.131 2004 G CA 0.340 44.675 45.100 -1.274 0.000 0.773 2004 G HN 0.389 nan 8.290 nan 0.000 0.544 2005 Y N 1.243 121.270 120.300 -0.455 0.000 2.377 2005 Y HA 0.487 5.037 4.550 0.000 0.000 0.339 2005 Y C 0.868 176.687 175.900 -0.136 0.000 1.011 2005 Y CA -1.091 56.836 58.100 -0.288 0.000 1.093 2005 Y CB 1.699 39.919 38.460 -0.401 0.000 1.201 2005 Y HN 0.037 nan 8.280 nan 0.000 0.455 2006 T N -1.348 113.262 114.554 0.094 0.000 2.927 2006 T HA 0.136 4.486 4.350 0.000 0.000 0.281 2006 T C 0.797 175.695 174.700 0.330 0.000 0.998 2006 T CA -0.558 61.654 62.100 0.186 0.000 1.019 2006 T CB 0.822 69.763 68.868 0.123 0.000 1.061 2006 T HN 0.643 nan 8.240 nan 0.000 0.518 2007 Y N 1.102 121.586 120.300 0.305 0.000 2.102 2007 Y HA -0.222 4.328 4.550 0.000 0.000 0.280 2007 Y C 2.444 178.525 175.900 0.301 0.000 1.178 2007 Y CA 2.246 60.570 58.100 0.373 0.000 1.146 2007 Y CB -0.441 38.095 38.460 0.126 0.000 0.968 2007 Y HN 0.854 nan 8.280 nan 0.000 0.504 2008 E N -0.445 119.887 120.200 0.219 0.000 2.160 2008 E HA -0.227 4.123 4.350 0.000 0.000 0.195 2008 E C 1.779 178.413 176.600 0.057 0.000 0.991 2008 E CA 1.076 57.539 56.400 0.105 0.000 0.810 2008 E CB -0.166 29.608 29.700 0.123 0.000 0.742 2008 E HN 0.585 nan 8.360 nan 0.000 0.466 2009 D N 0.284 120.715 120.400 0.052 0.000 2.087 2009 D HA -0.185 4.455 4.640 0.000 0.000 0.192 2009 D C 1.841 178.157 176.300 0.026 0.000 0.993 2009 D CA 1.291 55.298 54.000 0.011 0.000 0.828 2009 D CB -0.516 40.275 40.800 -0.016 0.000 0.968 2009 D HN 0.243 nan 8.370 nan 0.000 0.448 2010 Y N 1.516 121.869 120.300 0.089 0.000 2.114 2010 Y HA -0.213 4.337 4.550 0.000 0.000 0.282 2010 Y C 2.741 178.593 175.900 -0.079 0.000 1.165 2010 Y CA 1.308 59.386 58.100 -0.038 0.000 1.148 2010 Y CB -0.703 37.708 38.460 -0.083 0.000 0.972 2010 Y HN 0.081 nan 8.280 nan 0.000 0.504 2011 Q N -0.216 119.584 119.800 -0.000 0.000 2.084 2011 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 2011 Q C 1.708 177.749 176.000 0.069 0.000 0.978 2011 Q CA 1.578 57.370 55.803 -0.018 0.000 0.844 2011 Q CB -0.208 28.492 28.738 -0.063 0.000 0.898 2011 Q HN 0.494 nan 8.270 nan 0.000 0.426 2012 D N -0.391 120.059 120.400 0.085 0.000 2.117 2012 D HA -0.115 4.525 4.640 0.000 0.000 0.197 2012 D C 1.815 178.216 176.300 0.169 0.000 0.987 2012 D CA 1.384 55.455 54.000 0.119 0.000 0.829 2012 D CB -0.287 40.569 40.800 0.094 0.000 0.961 2012 D HN 0.172 nan 8.370 nan 0.000 0.460 2013 T N 0.474 115.129 114.554 0.168 0.000 2.777 2013 T HA -0.073 4.277 4.350 0.000 0.000 0.266 2013 T C 2.008 176.852 174.700 0.240 0.000 1.040 2013 T CA 1.397 63.627 62.100 0.215 0.000 1.141 2013 T CB -0.264 68.790 68.868 0.310 0.000 0.868 2013 T HN 0.187 nan 8.240 nan 0.000 0.444 2014 A N 2.120 125.045 122.820 0.176 0.000 1.902 2014 A HA -0.141 4.179 4.320 0.000 0.000 0.217 2014 A C 2.286 179.972 177.584 0.170 0.000 1.181 2014 A CA 1.285 53.421 52.037 0.165 0.000 0.623 2014 A CB -0.301 18.766 19.000 0.111 0.000 0.818 2014 A HN 0.260 nan 8.150 nan 0.000 0.443 2015 K N -1.304 119.194 120.400 0.163 0.000 2.026 2015 K HA -0.205 4.115 4.320 0.000 0.000 0.208 2015 K C 1.739 178.452 176.600 0.187 0.000 1.048 2015 K CA 1.424 57.798 56.287 0.145 0.000 0.929 2015 K CB -0.752 31.828 32.500 0.133 0.000 0.713 2015 K HN 0.758 nan 8.250 nan 0.000 0.439 2016 W N 2.131 123.468 121.300 0.061 0.000 2.338 2016 W HA -0.179 4.481 4.660 0.000 0.000 0.304 2016 W C 1.840 178.393 176.519 0.057 0.000 1.212 2016 W CA 1.470 58.858 57.345 0.071 0.000 1.264 2016 W CB -0.240 29.192 29.460 -0.047 0.000 1.142 2016 W HN -0.047 nan 8.180 nan 0.000 0.512 2017 L N -0.219 121.153 121.223 0.248 0.000 2.027 2017 L HA -0.222 4.118 4.340 0.000 0.000 0.206 2017 L C 2.511 179.314 176.870 -0.111 0.000 1.074 2017 L CA 1.136 55.966 54.840 -0.016 0.000 0.745 2017 L CB -1.063 41.090 42.059 0.157 0.000 0.898 2017 L HN 0.021 nan 8.230 nan 0.000 0.433 2018 L N -0.339 120.881 121.223 -0.004 0.000 2.131 2018 L HA -0.186 4.154 4.340 0.000 0.000 0.210 2018 L C 2.647 179.471 176.870 -0.078 0.000 1.092 2018 L CA 1.523 56.344 54.840 -0.032 0.000 0.759 2018 L CB -0.458 41.615 42.059 0.023 0.000 0.903 2018 L HN 0.404 nan 8.230 nan 0.000 0.435 2019 S N -2.597 113.052 115.700 -0.085 0.000 2.548 2019 S HA -0.060 4.410 4.470 0.000 0.000 0.215 2019 S C 1.395 175.789 174.600 -0.344 0.000 0.976 2019 S CA 0.055 58.153 58.200 -0.170 0.000 0.908 2019 S CB -0.194 62.913 63.200 -0.155 0.000 0.781 2019 S HN 0.458 nan 8.310 nan 0.000 0.519 2020 H N 0.409 119.254 119.070 -0.376 0.000 2.622 2020 H HA 0.437 4.993 4.556 0.000 0.000 0.269 2020 H C 0.252 175.517 175.328 -0.105 0.000 0.977 2020 H CA 0.596 56.435 56.048 -0.349 0.000 1.179 2020 H CB 0.874 30.202 29.762 -0.724 0.000 1.458 2020 H HN 0.372 nan 8.280 nan 0.000 0.531 2021 T N -1.104 113.397 114.554 -0.087 0.000 2.916 2021 T HA 0.108 4.458 4.350 0.000 0.000 0.305 2021 T C 0.626 175.238 174.700 -0.145 0.000 1.119 2021 T CA -0.676 61.357 62.100 -0.112 0.000 1.008 2021 T CB 1.846 70.556 68.868 -0.263 0.000 1.129 2021 T HN 0.370 nan 8.240 nan 0.000 0.480 2022 E N 1.886 122.020 120.200 -0.110 0.000 2.371 2022 E HA 0.030 4.380 4.350 0.000 0.000 0.194 2022 E C 0.201 176.762 176.600 -0.065 0.000 1.012 2022 E CA 0.261 56.614 56.400 -0.077 0.000 0.860 2022 E CB 0.217 29.883 29.700 -0.057 0.000 0.811 2022 E HN 0.544 nan 8.360 nan 0.000 0.502 2023 Q N 0.909 120.656 119.800 -0.090 0.000 2.361 2023 Q HA 0.069 4.409 4.340 0.000 0.000 0.276 2023 Q C -0.261 175.742 176.000 0.006 0.000 1.022 2023 Q CA 0.572 56.360 55.803 -0.024 0.000 0.898 2023 Q CB 0.887 29.634 28.738 0.015 0.000 1.246 2023 Q HN 0.088 nan 8.270 nan 0.000 0.410 2024 R N 2.783 123.328 120.500 0.074 0.000 2.639 2024 R HA 0.297 4.637 4.340 0.000 0.000 0.273 2024 R C -2.342 174.028 176.300 0.118 0.000 1.732 2024 R CA -1.655 54.499 56.100 0.091 0.000 1.586 2024 R CB 0.678 31.009 30.300 0.051 0.000 1.263 2024 R HN 0.514 nan 8.270 nan 0.000 0.615 2025 P HA 0.072 nan 4.420 nan 0.000 0.267 2025 P C -0.194 177.146 177.300 0.067 0.000 1.200 2025 P CA 0.035 63.208 63.100 0.122 0.000 0.772 2025 P CB 1.204 32.983 31.700 0.131 0.000 0.855 2026 Q N 0.286 120.105 119.800 0.032 0.000 2.214 2026 Q HA 0.238 4.578 4.340 0.000 0.000 0.229 2026 Q C 0.290 176.289 176.000 -0.002 0.000 0.835 2026 Q CA -0.083 55.734 55.803 0.024 0.000 0.953 2026 Q CB 1.196 29.952 28.738 0.029 0.000 1.131 2026 Q HN 0.389 nan 8.270 nan 0.000 0.501 2027 V N -0.814 119.079 119.914 -0.036 0.000 2.789 2027 V HA 0.901 5.021 4.120 0.000 0.000 0.311 2027 V C -1.879 174.102 176.094 -0.188 0.000 1.073 2027 V CA -0.717 61.539 62.300 -0.073 0.000 0.921 2027 V CB 1.833 33.640 31.823 -0.026 0.000 1.009 2027 V HN 0.046 nan 8.190 nan 0.000 0.426 2028 A N 5.040 127.700 122.820 -0.266 0.000 2.365 2028 A HA 0.937 5.257 4.320 0.000 0.000 0.318 2028 A C -1.135 176.237 177.584 -0.353 0.000 1.091 2028 A CA -0.626 51.112 52.037 -0.497 0.000 0.763 2028 A CB 2.051 20.514 19.000 -0.895 0.000 1.248 2028 A HN 1.467 nan 8.150 nan 0.000 0.442 2029 V N 2.782 122.492 119.914 -0.339 0.000 2.638 2029 V HA 0.411 4.531 4.120 0.000 0.000 0.306 2029 V C -0.578 175.427 176.094 -0.149 0.000 1.052 2029 V CA -0.200 61.971 62.300 -0.214 0.000 0.885 2029 V CB 1.642 33.368 31.823 -0.163 0.000 0.999 2029 V HN 0.757 nan 8.190 nan 0.000 0.424 2030 I N 3.672 124.183 120.570 -0.098 0.000 2.328 2030 I HA 0.332 4.502 4.170 0.000 0.000 0.287 2030 I C -0.104 175.985 176.117 -0.047 0.000 1.012 2030 I CA -0.189 61.083 61.300 -0.046 0.000 1.195 2030 I CB 1.129 39.106 38.000 -0.037 0.000 1.350 2030 I HN 0.580 nan 8.210 nan 0.000 0.464 2031 C N 5.291 124.575 119.300 -0.028 0.000 2.527 2031 C HA 0.467 4.927 4.460 0.000 0.000 0.396 2031 C C 1.371 176.365 174.990 0.007 0.000 1.289 2031 C CA -0.606 58.406 59.018 -0.010 0.000 2.047 2031 C CB 0.026 27.765 27.740 -0.001 0.000 2.568 2031 C HN 0.907 nan 8.230 nan 0.000 0.573 2032 G N 1.668 110.484 108.800 0.027 0.000 2.653 2032 G HA2 0.374 4.334 3.960 0.000 0.000 0.265 2032 G HA3 0.374 4.334 3.960 0.000 0.000 0.265 2032 G C 0.100 175.052 174.900 0.086 0.000 1.237 2032 G CA -0.207 44.929 45.100 0.061 0.000 0.946 2032 G HN 0.886 nan 8.290 nan 0.000 0.522 2033 S N -1.092 114.685 115.700 0.129 0.000 2.549 2033 S HA 0.387 4.857 4.470 0.000 0.000 0.286 2033 S C 1.597 176.257 174.600 0.101 0.000 1.314 2033 S CA 1.001 59.281 58.200 0.133 0.000 1.062 2033 S CB -0.034 63.264 63.200 0.162 0.000 0.865 2033 S HN 2.282 nan 8.310 nan 0.000 0.498 2034 G N 3.484 112.338 108.800 0.090 0.000 2.166 2034 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 2034 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 2034 G C 0.348 175.283 174.900 0.058 0.000 0.986 2034 G CA 0.674 45.818 45.100 0.073 0.000 0.683 2034 G HN 0.801 nan 8.290 nan 0.000 0.527 2035 L N -0.124 121.132 121.223 0.055 0.000 3.016 2035 L HA 0.336 4.676 4.340 0.000 0.000 0.267 2035 L C 2.451 179.337 176.870 0.027 0.000 1.182 2035 L CA 0.496 55.360 54.840 0.039 0.000 0.997 2035 L CB 0.359 42.442 42.059 0.041 0.000 1.354 2035 L HN 0.205 nan 8.230 nan 0.000 0.569 2036 G N 0.044 108.862 108.800 0.031 0.000 2.535 2036 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 2036 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 2036 G C 1.512 176.417 174.900 0.009 0.000 1.122 2036 G CA 0.709 45.820 45.100 0.018 0.000 0.769 2036 G HN 0.466 nan 8.290 nan 0.000 0.549 2037 G N 0.894 109.702 108.800 0.013 0.000 2.479 2037 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 2037 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 2037 G C 1.620 176.521 174.900 0.002 0.000 1.115 2037 G CA 0.835 45.940 45.100 0.008 0.000 0.757 2037 G HN 0.430 nan 8.290 nan 0.000 0.560 2038 L N 0.862 122.085 121.223 -0.001 0.000 2.187 2038 L HA -0.025 4.315 4.340 0.000 0.000 0.213 2038 L C 2.756 179.618 176.870 -0.013 0.000 1.100 2038 L CA 1.158 55.993 54.840 -0.008 0.000 0.765 2038 L CB -0.302 41.749 42.059 -0.014 0.000 0.904 2038 L HN 0.082 nan 8.230 nan 0.000 0.437 2039 V N -0.299 119.607 119.914 -0.013 0.000 2.407 2039 V HA -0.202 3.918 4.120 0.000 0.000 0.248 2039 V C 1.497 177.585 176.094 -0.010 0.000 1.055 2039 V CA 0.917 63.208 62.300 -0.015 0.000 1.049 2039 V CB -0.757 31.056 31.823 -0.017 0.000 0.662 2039 V HN 0.492 nan 8.190 nan 0.000 0.455 2040 N N -0.058 118.638 118.700 -0.007 0.000 2.317 2040 N HA 0.106 4.846 4.740 0.000 0.000 0.245 2040 N C 0.929 176.437 175.510 -0.005 0.000 1.294 2040 N CA 0.234 53.281 53.050 -0.005 0.000 0.924 2040 N CB 0.489 38.974 38.487 -0.004 0.000 1.186 2040 N HN 0.238 nan 8.380 nan 0.000 0.495 2041 K N -1.822 118.576 120.400 -0.003 0.000 3.471 2041 K HA -0.193 4.127 4.320 0.000 0.000 0.289 2041 K C -0.347 176.252 176.600 -0.001 0.000 0.879 2041 K CA 0.705 56.990 56.287 -0.002 0.000 1.257 2041 K CB -0.895 31.604 32.500 -0.003 0.000 1.334 2041 K HN 0.237 nan 8.250 nan 0.000 0.491 2042 L N 2.171 123.393 121.223 -0.001 0.000 2.439 2042 L HA 0.220 4.560 4.340 0.000 0.000 0.269 2042 L C 1.016 177.890 176.870 0.007 0.000 1.179 2042 L CA 1.004 55.846 54.840 0.004 0.000 0.828 2042 L CB 0.880 42.943 42.059 0.006 0.000 1.106 2042 L HN 0.373 nan 8.230 nan 0.000 0.467 2043 T N -0.310 114.251 114.554 0.011 0.000 2.926 2043 T HA 0.434 4.784 4.350 0.000 0.000 0.289 2043 T C -0.276 174.434 174.700 0.016 0.000 1.054 2043 T CA -0.683 61.422 62.100 0.010 0.000 1.015 2043 T CB 1.623 70.495 68.868 0.006 0.000 1.167 2043 T HN 0.379 nan 8.240 nan 0.000 0.526 2044 Q N -1.356 118.451 119.800 0.011 0.000 2.453 2044 Q HA -0.147 4.193 4.340 0.000 0.000 0.294 2044 Q C 0.226 176.240 176.000 0.023 0.000 1.295 2044 Q CA 0.898 56.708 55.803 0.012 0.000 0.853 2044 Q CB -2.587 26.161 28.738 0.016 0.000 1.193 2044 Q HN 1.204 nan 8.270 nan 0.000 0.461 2045 A N 0.442 123.273 122.820 0.019 0.000 2.351 2045 A HA 0.527 4.847 4.320 0.000 0.000 0.257 2045 A C 0.271 177.864 177.584 0.015 0.000 1.087 2045 A CA -0.022 52.035 52.037 0.033 0.000 0.798 2045 A CB 0.810 19.823 19.000 0.022 0.000 1.033 2045 A HN 0.296 nan 8.150 nan 0.000 0.488 2046 Q N 0.471 120.298 119.800 0.045 0.000 2.271 2046 Q HA 0.453 4.793 4.340 0.000 0.000 0.268 2046 Q C -1.397 174.591 176.000 -0.020 0.000 1.021 2046 Q CA -0.360 55.415 55.803 -0.048 0.000 0.802 2046 Q CB 1.945 30.631 28.738 -0.087 0.000 1.282 2046 Q HN 0.752 nan 8.270 nan 0.000 0.431 2047 T N 3.081 117.540 114.554 -0.158 0.000 2.888 2047 T HA 0.654 5.004 4.350 0.000 0.000 0.284 2047 T C -1.129 173.414 174.700 -0.262 0.000 1.017 2047 T CA -0.215 61.833 62.100 -0.086 0.000 1.022 2047 T CB 0.498 69.337 68.868 -0.049 0.000 1.013 2047 T HN 0.324 nan 8.240 nan 0.000 0.465 2048 F N 1.376 121.413 119.950 0.144 0.000 2.539 2048 F HA 0.321 4.848 4.527 0.000 0.000 0.318 2048 F C 0.187 176.024 175.800 0.062 0.000 1.135 2048 F CA -1.166 56.927 58.000 0.155 0.000 0.915 2048 F CB 1.554 40.714 39.000 0.266 0.000 1.176 2048 F HN 0.419 nan 8.300 nan 0.000 0.440 2049 D N 2.424 122.957 120.400 0.223 0.000 2.382 2049 D HA 0.001 4.641 4.640 0.000 0.000 0.245 2049 D C 0.897 177.287 176.300 0.150 0.000 1.120 2049 D CA 0.091 54.147 54.000 0.093 0.000 0.890 2049 D CB 0.870 41.718 40.800 0.080 0.000 1.201 2049 D HN 0.425 nan 8.370 nan 0.000 0.433 2050 Y N 1.329 121.666 120.300 0.063 0.000 2.151 2050 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 2050 Y C 2.700 178.640 175.900 0.067 0.000 1.166 2050 Y CA 1.130 59.256 58.100 0.043 0.000 1.163 2050 Y CB -1.232 37.434 38.460 0.342 0.000 0.974 2050 Y HN 0.407 nan 8.280 nan 0.000 0.511 2051 S N 0.510 116.363 115.700 0.256 0.000 2.374 2051 S HA -0.288 4.182 4.470 0.000 0.000 0.227 2051 S C 1.667 176.300 174.600 0.056 0.000 1.037 2051 S CA 1.621 59.912 58.200 0.151 0.000 1.024 2051 S CB -0.784 62.491 63.200 0.124 0.000 0.861 2051 S HN 0.769 nan 8.310 nan 0.000 0.456 2052 E N 0.931 121.152 120.200 0.036 0.000 2.481 2052 E HA 0.134 4.484 4.350 0.000 0.000 0.195 2052 E C 0.241 176.636 176.600 -0.343 0.000 1.047 2052 E CA -0.050 56.322 56.400 -0.048 0.000 0.867 2052 E CB -0.331 29.429 29.700 0.099 0.000 0.858 2052 E HN 0.617 nan 8.360 nan 0.000 0.513 2053 I N 2.895 123.249 120.570 -0.361 0.000 2.371 2053 I HA 0.203 4.373 4.170 0.000 0.000 0.290 2053 I C -2.160 173.679 176.117 -0.463 0.000 1.028 2053 I CA -2.652 58.225 61.300 -0.705 0.000 1.345 2053 I CB 0.795 38.469 38.000 -0.543 0.000 1.407 2053 I HN -0.197 nan 8.210 nan 0.000 0.501 2054 P HA -0.019 nan 4.420 nan 0.000 0.260 2054 P C -0.048 177.196 177.300 -0.093 0.000 1.172 2054 P CA 0.624 63.519 63.100 -0.341 0.000 0.760 2054 P CB 0.210 31.684 31.700 -0.376 0.000 0.773 2055 N N -0.258 118.379 118.700 -0.105 0.000 2.955 2055 N HA -0.216 4.524 4.740 0.000 0.000 0.230 2055 N C -0.092 175.199 175.510 -0.365 0.000 0.891 2055 N CA 0.905 53.834 53.050 -0.200 0.000 1.002 2055 N CB -1.941 36.382 38.487 -0.273 0.000 1.063 2055 N HN 0.339 nan 8.380 nan 0.000 0.601 2056 F N 2.513 122.307 119.950 -0.261 0.000 2.484 2056 F HA 0.239 4.766 4.527 0.000 0.000 0.360 2056 F C -1.373 174.283 175.800 -0.240 0.000 1.101 2056 F CA -1.233 56.650 58.000 -0.195 0.000 1.251 2056 F CB 0.370 39.354 39.000 -0.028 0.000 1.132 2056 F HN -0.127 nan 8.300 nan 0.000 0.570 2057 P HA 0.080 nan 4.420 nan 0.000 0.270 2057 P C -1.215 176.000 177.300 -0.141 0.000 1.223 2057 P CA -0.102 62.688 63.100 -0.516 0.000 0.785 2057 P CB 0.525 31.406 31.700 -1.364 0.000 0.923 2058 E N 0.128 120.351 120.200 0.039 0.000 2.207 2058 E HA 0.340 4.690 4.350 0.000 0.000 0.270 2058 E C -0.368 176.497 176.600 0.442 0.000 0.927 2058 E CA -0.740 55.837 56.400 0.296 0.000 0.799 2058 E CB 1.200 31.020 29.700 0.200 0.000 1.172 2058 E HN 0.358 nan 8.360 nan 0.000 0.404 2059 S N 0.711 116.759 115.700 0.580 0.000 2.573 2059 S HA -0.014 4.456 4.470 0.000 0.000 0.277 2059 S C 1.282 176.117 174.600 0.392 0.000 1.346 2059 S CA -0.123 58.424 58.200 0.579 0.000 1.034 2059 S CB 0.901 64.373 63.200 0.454 0.000 0.879 2059 S HN 0.757 nan 8.310 nan 0.000 0.528 2060 T N -1.546 113.233 114.554 0.374 0.000 2.904 2060 T HA 0.039 4.389 4.350 0.000 0.000 0.243 2060 T C 0.753 175.549 174.700 0.161 0.000 1.024 2060 T CA 0.050 62.268 62.100 0.197 0.000 1.158 2060 T CB -0.694 68.241 68.868 0.111 0.000 0.867 2060 T HN 0.327 nan 8.240 nan 0.000 0.429 2061 V N 5.043 125.052 119.914 0.159 0.000 2.613 2061 V HA 0.076 4.196 4.120 0.000 0.000 0.289 2061 V C -2.193 174.015 176.094 0.190 0.000 0.985 2061 V CA -0.864 61.489 62.300 0.088 0.000 1.181 2061 V CB -0.865 30.898 31.823 -0.099 0.000 0.883 2061 V HN 0.427 nan 8.190 nan 0.000 0.465 2062 P HA 0.204 nan 4.420 nan 0.000 0.261 2062 P C 0.951 178.416 177.300 0.275 0.000 1.183 2062 P CA 1.448 64.657 63.100 0.181 0.000 0.761 2062 P CB 0.468 32.238 31.700 0.116 0.000 0.785 2063 G N 2.557 111.461 108.800 0.173 0.000 2.143 2063 G HA2 -0.236 3.724 3.960 0.000 0.000 0.249 2063 G HA3 -0.236 3.724 3.960 0.000 0.000 0.249 2063 G C 0.018 174.835 174.900 -0.138 0.000 0.981 2063 G CA -0.202 44.920 45.100 0.038 0.000 0.665 2063 G HN 0.673 nan 8.290 nan 0.000 0.528 2064 H N -0.770 118.335 119.070 0.059 0.000 2.471 2064 H HA 0.644 5.200 4.556 0.000 0.000 0.234 2064 H C 1.634 176.995 175.328 0.055 0.000 1.388 2064 H CA 0.451 56.531 56.048 0.055 0.000 1.198 2064 H CB 0.332 30.140 29.762 0.076 0.000 1.714 2064 H HN 0.479 nan 8.280 nan 0.000 0.536 2065 A N 1.421 124.292 122.820 0.085 0.000 1.827 2065 A HA -0.149 4.171 4.320 0.000 0.000 0.262 2065 A C 1.622 179.227 177.584 0.035 0.000 2.408 2065 A CA 1.932 54.003 52.037 0.057 0.000 0.827 2065 A CB -1.184 17.812 19.000 -0.006 0.000 0.840 2065 A HN 1.224 nan 8.150 nan 0.000 0.513 2066 G N -2.015 106.714 108.800 -0.119 0.000 3.225 2066 G HA2 0.392 4.352 3.960 0.000 0.000 0.686 2066 G HA3 0.392 4.352 3.960 0.000 0.000 0.686 2066 G C -0.554 173.760 174.900 -0.977 0.000 1.105 2066 G CA 0.236 45.048 45.100 -0.478 0.000 0.831 2066 G HN 1.804 nan 8.290 nan 0.000 0.578 2067 R N 0.804 120.570 120.500 -1.223 0.000 2.629 2067 R HA 0.747 5.087 4.340 0.000 0.000 0.266 2067 R C -1.688 174.428 176.300 -0.307 0.000 1.051 2067 R CA -1.257 54.423 56.100 -0.700 0.000 0.895 2067 R CB 1.608 31.761 30.300 -0.245 0.000 1.246 2067 R HN 0.912 nan 8.270 nan 0.000 0.459 2068 L N 2.168 123.431 121.223 0.067 0.000 2.272 2068 L HA 0.494 4.834 4.340 0.000 0.000 0.289 2068 L C -1.180 175.786 176.870 0.160 0.000 1.032 2068 L CA -0.535 54.428 54.840 0.204 0.000 0.810 2068 L CB 1.939 44.148 42.059 0.251 0.000 1.205 2068 L HN 0.565 nan 8.230 nan 0.000 0.422 2069 V N 5.598 125.525 119.914 0.021 0.000 2.448 2069 V HA 0.465 4.585 4.120 0.000 0.000 0.295 2069 V C -0.446 175.629 176.094 -0.033 0.000 1.025 2069 V CA -0.528 61.807 62.300 0.058 0.000 0.859 2069 V CB 1.278 33.112 31.823 0.018 0.000 0.988 2069 V HN 0.467 nan 8.190 nan 0.000 0.431 2070 F N 2.496 122.504 119.950 0.098 0.000 2.450 2070 F HA 0.920 5.447 4.527 0.000 0.000 0.332 2070 F C 0.850 176.671 175.800 0.035 0.000 1.093 2070 F CA 0.115 58.163 58.000 0.079 0.000 1.003 2070 F CB 2.163 41.245 39.000 0.137 0.000 1.151 2070 F HN 0.762 nan 8.300 nan 0.000 0.474 2071 G N 2.104 111.021 108.800 0.195 0.000 2.321 2071 G HA2 0.390 4.350 3.960 0.000 0.000 0.296 2071 G HA3 0.390 4.350 3.960 0.000 0.000 0.296 2071 G C -2.203 172.738 174.900 0.067 0.000 1.287 2071 G CA -0.965 44.201 45.100 0.109 0.000 0.846 2071 G HN 0.311 nan 8.290 nan 0.000 0.508 2072 I N 1.509 122.105 120.570 0.043 0.000 2.377 2072 I HA 0.450 4.620 4.170 0.000 0.000 0.293 2072 I C 0.945 177.071 176.117 0.015 0.000 0.987 2072 I CA -0.416 60.901 61.300 0.028 0.000 1.185 2072 I CB 1.202 39.217 38.000 0.025 0.000 1.341 2072 I HN 0.583 nan 8.210 nan 0.000 0.455 2073 L N 4.645 125.874 121.223 0.009 0.000 2.228 2073 L HA 0.179 4.519 4.340 0.000 0.000 0.196 2073 L C 0.724 177.597 176.870 0.005 0.000 1.162 2073 L CA 0.695 55.537 54.840 0.003 0.000 0.801 2073 L CB 0.242 42.299 42.059 -0.004 0.000 0.983 2073 L HN 0.700 nan 8.230 nan 0.000 0.471 2074 N N -0.253 118.451 118.700 0.007 0.000 2.765 2074 N HA 0.254 4.994 4.740 0.000 0.000 0.277 2074 N C 0.108 175.624 175.510 0.010 0.000 1.750 2074 N CA 0.460 53.514 53.050 0.008 0.000 0.827 2074 N CB 0.831 39.322 38.487 0.007 0.000 1.200 2074 N HN 0.543 nan 8.380 nan 0.000 0.494 2075 G N 1.237 110.044 108.800 0.011 0.000 2.241 2075 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 2075 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 2075 G C -0.243 174.666 174.900 0.015 0.000 0.998 2075 G CA -0.142 44.965 45.100 0.012 0.000 0.621 2075 G HN 0.475 nan 8.290 nan 0.000 0.519 2076 R N 0.619 121.129 120.500 0.016 0.000 2.514 2076 R HA 0.757 5.097 4.340 0.000 0.000 0.301 2076 R C 0.264 176.576 176.300 0.021 0.000 0.962 2076 R CA -0.110 56.001 56.100 0.019 0.000 0.882 2076 R CB 1.360 31.672 30.300 0.020 0.000 1.143 2076 R HN 0.718 nan 8.270 nan 0.000 0.452 2077 A N 2.315 125.152 122.820 0.029 0.000 2.409 2077 A HA 0.412 4.732 4.320 0.000 0.000 0.267 2077 A C -0.156 177.444 177.584 0.028 0.000 1.127 2077 A CA -0.180 51.884 52.037 0.045 0.000 0.795 2077 A CB 0.030 19.068 19.000 0.063 0.000 1.061 2077 A HN 0.741 nan 8.150 nan 0.000 0.502 2078 C N 1.144 120.454 119.300 0.017 0.000 2.779 2078 C HA 0.777 5.237 4.460 0.000 0.000 0.314 2078 C C -0.029 174.893 174.990 -0.112 0.000 1.231 2078 C CA -0.590 58.393 59.018 -0.058 0.000 1.652 2078 C CB 1.603 29.299 27.740 -0.074 0.000 2.198 2078 C HN 0.836 nan 8.230 nan 0.000 0.483 2079 V N 3.482 123.217 119.914 -0.299 0.000 2.588 2079 V HA 0.710 4.830 4.120 0.000 0.000 0.304 2079 V C -0.939 174.864 176.094 -0.485 0.000 1.042 2079 V CA -0.272 61.688 62.300 -0.565 0.000 0.877 2079 V CB 1.601 32.906 31.823 -0.863 0.000 0.996 2079 V HN 0.934 nan 8.190 nan 0.000 0.425 2080 M N 6.696 126.091 119.600 -0.342 0.000 2.535 2080 M HA 0.579 5.059 4.480 0.000 0.000 0.314 2080 M C -0.842 175.421 176.300 -0.061 0.000 1.153 2080 M CA -0.544 54.637 55.300 -0.198 0.000 0.924 2080 M CB 2.529 35.059 32.600 -0.117 0.000 1.710 2080 M HN 0.466 nan 8.290 nan 0.000 0.451 2081 M N 2.264 121.877 119.600 0.022 0.000 2.080 2081 M HA 0.269 4.749 4.480 0.000 0.000 0.350 2081 M C -0.500 175.855 176.300 0.092 0.000 1.173 2081 M CA -0.122 55.288 55.300 0.183 0.000 1.052 2081 M CB 1.209 33.938 32.600 0.215 0.000 1.577 2081 M HN 0.568 nan 8.290 nan 0.000 0.455 2082 Q N 3.097 122.935 119.800 0.064 0.000 2.506 2082 Q HA 0.536 4.876 4.340 0.000 0.000 0.242 2082 Q C -0.738 175.238 176.000 -0.039 0.000 1.060 2082 Q CA -0.318 55.477 55.803 -0.013 0.000 0.826 2082 Q CB 1.030 29.735 28.738 -0.055 0.000 1.169 2082 Q HN 0.971 nan 8.270 nan 0.000 0.521 2083 G N 2.955 111.768 108.800 0.021 0.000 3.101 2083 G HA2 -0.094 3.866 3.960 0.000 0.000 0.672 2083 G HA3 -0.094 3.866 3.960 0.000 0.000 0.672 2083 G C -1.654 173.197 174.900 -0.083 0.000 1.331 2083 G CA -0.913 44.203 45.100 0.027 0.000 0.925 2083 G HN 0.518 nan 8.290 nan 0.000 0.596 2084 R N 0.561 120.939 120.500 -0.203 0.000 2.902 2084 R HA 0.873 5.213 4.340 0.000 0.000 0.258 2084 R C -0.854 175.030 176.300 -0.693 0.000 1.071 2084 R CA -0.923 54.870 56.100 -0.512 0.000 1.024 2084 R CB 0.999 31.073 30.300 -0.376 0.000 1.184 2084 R HN 0.330 nan 8.270 nan 0.000 0.492 2085 F N 0.882 120.588 119.950 -0.408 0.000 2.480 2085 F HA 0.491 5.018 4.527 0.000 0.000 0.329 2085 F C 0.300 175.780 175.800 -0.533 0.000 1.091 2085 F CA -0.516 57.162 58.000 -0.537 0.000 0.972 2085 F CB 1.483 39.932 39.000 -0.917 0.000 1.150 2085 F HN 0.280 nan 8.300 nan 0.000 0.467 2086 H N 3.100 122.158 119.070 -0.020 0.000 2.747 2086 H HA 0.254 4.810 4.556 0.000 0.000 0.371 2086 H C 0.873 176.133 175.328 -0.113 0.000 1.161 2086 H CA -0.695 55.238 56.048 -0.191 0.000 1.167 2086 H CB 2.626 31.881 29.762 -0.845 0.000 1.732 2086 H HN 0.788 nan 8.280 nan 0.000 0.544 2087 M N 2.211 121.855 119.600 0.075 0.000 2.149 2087 M HA -0.212 4.268 4.480 0.000 0.000 0.261 2087 M C 1.468 177.738 176.300 -0.050 0.000 1.064 2087 M CA 1.887 57.151 55.300 -0.061 0.000 1.102 2087 M CB -0.258 32.292 32.600 -0.082 0.000 1.369 2087 M HN 0.663 nan 8.290 nan 0.000 0.408 2088 Y N -0.031 120.351 120.300 0.136 0.000 2.574 2088 Y HA 0.073 4.623 4.550 0.000 0.000 0.294 2088 Y C 1.286 177.208 175.900 0.037 0.000 1.142 2088 Y CA 0.987 59.124 58.100 0.061 0.000 1.314 2088 Y CB -1.384 37.107 38.460 0.052 0.000 0.991 2088 Y HN 0.415 nan 8.280 nan 0.000 0.555 2089 E N 0.231 120.380 120.200 -0.084 0.000 2.481 2089 E HA 0.205 4.555 4.350 0.000 0.000 0.195 2089 E C 1.584 178.060 176.600 -0.207 0.000 1.047 2089 E CA 0.523 56.906 56.400 -0.027 0.000 0.867 2089 E CB -0.024 29.699 29.700 0.038 0.000 0.858 2089 E HN 0.714 nan 8.360 nan 0.000 0.513 2090 G N 0.467 109.149 108.800 -0.196 0.000 2.184 2090 G HA2 -0.234 3.726 3.960 0.000 0.000 0.206 2090 G HA3 -0.234 3.726 3.960 0.000 0.000 0.206 2090 G C -0.315 174.369 174.900 -0.360 0.000 0.995 2090 G CA -0.517 44.420 45.100 -0.271 0.000 0.651 2090 G HN 0.168 nan 8.290 nan 0.000 0.511 2091 Y N 2.392 122.546 120.300 -0.243 0.000 2.319 2091 Y HA 0.482 5.032 4.550 0.000 0.000 0.328 2091 Y C -1.352 174.274 175.900 -0.457 0.000 1.133 2091 Y CA -1.881 56.005 58.100 -0.356 0.000 1.265 2091 Y CB 0.774 39.044 38.460 -0.316 0.000 1.218 2091 Y HN 0.019 nan 8.280 nan 0.000 0.508 2092 P HA 0.064 nan 4.420 nan 0.000 0.276 2092 P C 0.198 177.221 177.300 -0.461 0.000 1.244 2092 P CA -0.261 62.501 63.100 -0.564 0.000 0.801 2092 P CB 0.805 32.035 31.700 -0.782 0.000 1.006 2093 F N 0.326 120.168 119.950 -0.179 0.000 2.250 2093 F HA -0.120 4.407 4.527 0.000 0.000 0.301 2093 F C 2.262 178.035 175.800 -0.046 0.000 1.077 2093 F CA 0.794 58.738 58.000 -0.093 0.000 1.348 2093 F CB -1.236 37.756 39.000 -0.013 0.000 1.040 2093 F HN 0.510 nan 8.300 nan 0.000 0.509 2094 W N 0.295 121.701 121.300 0.177 0.000 2.595 2094 W HA -0.016 4.644 4.660 0.000 0.000 0.257 2094 W C 1.383 178.028 176.519 0.210 0.000 1.267 2094 W CA 0.614 58.063 57.345 0.173 0.000 1.300 2094 W CB -1.027 28.524 29.460 0.150 0.000 1.120 2094 W HN 0.096 nan 8.180 nan 0.000 0.618 2095 K N 0.824 121.031 120.400 -0.322 0.000 2.168 2095 K HA -0.012 4.308 4.320 0.000 0.000 0.201 2095 K C 2.221 178.664 176.600 -0.261 0.000 1.049 2095 K CA 0.790 56.898 56.287 -0.299 0.000 0.974 2095 K CB -0.230 31.890 32.500 -0.633 0.000 0.792 2095 K HN -0.110 nan 8.250 nan 0.000 0.463 2096 V N 1.893 121.689 119.914 -0.196 0.000 2.282 2096 V HA -0.263 3.857 4.120 0.000 0.000 0.249 2096 V C 2.325 178.409 176.094 -0.017 0.000 1.057 2096 V CA 2.500 64.757 62.300 -0.071 0.000 1.032 2096 V CB -0.749 31.138 31.823 0.107 0.000 0.645 2096 V HN 0.556 nan 8.190 nan 0.000 0.447 2097 T N -3.214 111.337 114.554 -0.005 0.000 3.107 2097 T HA -0.006 4.344 4.350 0.000 0.000 0.249 2097 T C 1.541 176.161 174.700 -0.133 0.000 1.096 2097 T CA 0.234 62.290 62.100 -0.073 0.000 1.012 2097 T CB -0.434 68.394 68.868 -0.066 0.000 0.977 2097 T HN 0.337 nan 8.240 nan 0.000 0.527 2098 F N 3.771 123.576 119.950 -0.242 0.000 2.087 2098 F HA 0.033 4.560 4.527 0.000 0.000 0.299 2098 F C -1.087 174.398 175.800 -0.524 0.000 1.100 2098 F CA 0.857 58.642 58.000 -0.359 0.000 1.226 2098 F CB -1.188 37.457 39.000 -0.592 0.000 0.983 2098 F HN 0.194 nan 8.300 nan 0.000 0.479 2099 P HA -0.171 nan 4.420 nan 0.000 0.216 2099 P C 2.105 178.531 177.300 -1.458 0.000 1.150 2099 P CA 1.938 64.358 63.100 -1.133 0.000 0.837 2099 P CB -0.086 31.157 31.700 -0.762 0.000 0.786 2100 V N 0.148 119.542 119.914 -0.866 0.000 2.252 2100 V HA -0.295 3.825 4.120 0.000 0.000 0.249 2100 V C 2.392 178.188 176.094 -0.497 0.000 1.056 2100 V CA 2.019 63.997 62.300 -0.538 0.000 1.022 2100 V CB -1.085 30.577 31.823 -0.269 0.000 0.641 2100 V HN 0.092 nan 8.190 nan 0.000 0.445 2101 R N -0.590 119.537 120.500 -0.621 0.000 2.115 2101 R HA -0.082 4.258 4.340 0.000 0.000 0.230 2101 R C 2.198 178.244 176.300 -0.423 0.000 1.111 2101 R CA 1.086 56.789 56.100 -0.662 0.000 0.976 2101 R CB -0.478 29.033 30.300 -1.316 0.000 0.870 2101 R HN 0.411 nan 8.270 nan 0.000 0.445 2102 V N 0.624 120.198 119.914 -0.568 0.000 2.343 2102 V HA -0.232 3.888 4.120 0.000 0.000 0.247 2102 V C 1.890 177.948 176.094 -0.060 0.000 1.051 2102 V CA 1.613 63.713 62.300 -0.334 0.000 1.036 2102 V CB -0.487 31.064 31.823 -0.454 0.000 0.654 2102 V HN 0.132 nan 8.190 nan 0.000 0.451 2103 F N 0.734 120.630 119.950 -0.090 0.000 2.095 2103 F HA -0.167 4.360 4.527 0.000 0.000 0.298 2103 F C 2.572 178.366 175.800 -0.009 0.000 1.104 2103 F CA 1.884 59.864 58.000 -0.032 0.000 1.232 2103 F CB -1.194 37.768 39.000 -0.063 0.000 0.987 2103 F HN 0.094 nan 8.300 nan 0.000 0.475 2104 R N 0.917 121.504 120.500 0.145 0.000 2.083 2104 R HA -0.136 4.204 4.340 0.000 0.000 0.237 2104 R C 2.048 178.418 176.300 0.116 0.000 1.137 2104 R CA 1.448 57.614 56.100 0.110 0.000 0.951 2104 R CB -0.959 29.391 30.300 0.083 0.000 0.851 2104 R HN 0.354 nan 8.270 nan 0.000 0.434 2105 L N 0.123 121.413 121.223 0.111 0.000 2.362 2105 L HA -0.075 4.265 4.340 0.000 0.000 0.219 2105 L C 1.952 178.885 176.870 0.106 0.000 1.134 2105 L CA 0.626 55.525 54.840 0.097 0.000 0.807 2105 L CB -0.272 41.827 42.059 0.068 0.000 0.927 2105 L HN 0.253 nan 8.230 nan 0.000 0.447 2106 L N -0.583 120.725 121.223 0.142 0.000 2.395 2106 L HA 0.043 4.383 4.340 0.000 0.000 0.218 2106 L C 1.533 178.483 176.870 0.133 0.000 1.130 2106 L CA 0.868 55.807 54.840 0.166 0.000 0.826 2106 L CB -0.242 41.972 42.059 0.258 0.000 0.941 2106 L HN 0.516 nan 8.230 nan 0.000 0.451 2107 G N -0.670 108.198 108.800 0.113 0.000 2.192 2107 G HA2 -0.211 3.749 3.960 0.000 0.000 0.193 2107 G HA3 -0.211 3.749 3.960 0.000 0.000 0.193 2107 G C 0.224 175.171 174.900 0.078 0.000 0.999 2107 G CA -0.130 45.021 45.100 0.086 0.000 0.659 2107 G HN 0.023 nan 8.290 nan 0.000 0.503 2108 V N 0.782 120.751 119.914 0.092 0.000 2.872 2108 V HA 0.301 4.421 4.120 0.000 0.000 0.307 2108 V C 1.279 177.403 176.094 0.050 0.000 1.072 2108 V CA 1.368 63.703 62.300 0.058 0.000 1.148 2108 V CB 1.344 33.198 31.823 0.052 0.000 0.954 2108 V HN 0.495 nan 8.190 nan 0.000 0.490 2109 E N 0.748 120.967 120.200 0.032 0.000 2.536 2109 E HA 0.155 4.505 4.350 0.000 0.000 0.220 2109 E C -0.143 176.475 176.600 0.029 0.000 0.876 2109 E CA 0.137 56.556 56.400 0.032 0.000 1.190 2109 E CB 1.132 30.850 29.700 0.030 0.000 1.191 2109 E HN 0.729 nan 8.360 nan 0.000 0.557 2110 T N 1.647 116.215 114.554 0.023 0.000 2.881 2110 T HA 0.456 4.806 4.350 0.000 0.000 0.290 2110 T C -1.288 173.397 174.700 -0.025 0.000 1.000 2110 T CA -0.613 61.507 62.100 0.033 0.000 0.978 2110 T CB 2.088 71.016 68.868 0.099 0.000 0.997 2110 T HN -0.047 nan 8.240 nan 0.000 0.443 2111 L N 4.163 125.358 121.223 -0.047 0.000 2.313 2111 L HA 0.785 5.125 4.340 0.000 0.000 0.283 2111 L C -1.150 175.586 176.870 -0.224 0.000 1.013 2111 L CA -0.532 54.241 54.840 -0.111 0.000 0.816 2111 L CB 1.273 43.300 42.059 -0.054 0.000 1.236 2111 L HN 0.458 nan 8.230 nan 0.000 0.419 2112 V N 5.732 125.461 119.914 -0.308 0.000 2.398 2112 V HA 0.602 4.722 4.120 0.000 0.000 0.286 2112 V C -0.120 175.800 176.094 -0.289 0.000 1.026 2112 V CA -0.578 61.421 62.300 -0.501 0.000 0.868 2112 V CB 1.535 33.028 31.823 -0.550 0.000 0.982 2112 V HN 0.676 nan 8.190 nan 0.000 0.443 2113 V N 1.807 121.569 119.914 -0.253 0.000 2.581 2113 V HA 0.898 5.018 4.120 0.000 0.000 0.303 2113 V C -0.220 175.822 176.094 -0.086 0.000 1.041 2113 V CA -0.140 62.074 62.300 -0.144 0.000 0.907 2113 V CB 1.791 33.540 31.823 -0.123 0.000 0.994 2113 V HN 0.797 nan 8.190 nan 0.000 0.442 2114 T N 4.675 119.200 114.554 -0.049 0.000 2.916 2114 T HA 0.637 4.987 4.350 0.000 0.000 0.305 2114 T C -0.978 173.725 174.700 0.005 0.000 1.119 2114 T CA -0.574 61.538 62.100 0.021 0.000 1.008 2114 T CB 1.472 70.363 68.868 0.038 0.000 1.129 2114 T HN 1.241 nan 8.240 nan 0.000 0.480 2115 N N 0.177 118.901 118.700 0.040 0.000 2.961 2115 N HA 0.598 5.338 4.740 0.000 0.000 0.245 2115 N C -1.526 174.052 175.510 0.114 0.000 1.404 2115 N CA -1.073 52.019 53.050 0.071 0.000 0.880 2115 N CB 1.547 40.061 38.487 0.045 0.000 1.461 2115 N HN 0.658 nan 8.380 nan 0.000 0.510 2116 A N 0.183 123.087 122.820 0.140 0.000 2.306 2116 A HA 0.870 5.190 4.320 0.000 0.000 0.314 2116 A C -0.381 177.299 177.584 0.159 0.000 1.164 2116 A CA -0.115 52.003 52.037 0.135 0.000 0.822 2116 A CB 0.841 19.918 19.000 0.129 0.000 1.130 2116 A HN 0.994 nan 8.150 nan 0.000 0.496 2117 A N 0.988 123.888 122.820 0.134 0.000 2.594 2117 A HA 0.827 5.147 4.320 0.000 0.000 0.291 2117 A C 0.057 177.664 177.584 0.038 0.000 1.105 2117 A CA -0.107 51.992 52.037 0.104 0.000 0.694 2117 A CB 1.098 20.221 19.000 0.205 0.000 1.291 2117 A HN 1.857 nan 8.150 nan 0.000 0.410 2118 G N -0.350 108.420 108.800 -0.049 0.000 2.377 2118 G HA2 0.540 4.500 3.960 0.000 0.000 0.299 2118 G HA3 0.540 4.500 3.960 0.000 0.000 0.299 2118 G C 0.266 175.178 174.900 0.019 0.000 1.150 2118 G CA 0.137 45.208 45.100 -0.048 0.000 0.847 2118 G HN 1.263 nan 8.290 nan 0.000 0.501 2119 G N 0.277 109.125 108.800 0.080 0.000 2.355 2119 G HA2 0.418 4.378 3.960 0.000 0.000 0.276 2119 G HA3 0.418 4.378 3.960 0.000 0.000 0.276 2119 G C 0.388 175.314 174.900 0.045 0.000 1.198 2119 G CA -0.387 44.809 45.100 0.160 0.000 0.876 2119 G HN 0.376 nan 8.290 nan 0.000 0.478 2120 L N 1.991 123.200 121.223 -0.023 0.000 2.362 2120 L HA 0.212 4.552 4.340 0.000 0.000 0.204 2120 L C 1.467 178.222 176.870 -0.192 0.000 1.060 2120 L CA 0.097 54.876 54.840 -0.102 0.000 0.827 2120 L CB -0.830 41.159 42.059 -0.116 0.000 1.027 2120 L HN 0.511 nan 8.230 nan 0.000 0.474 2121 N N 2.164 120.615 118.700 -0.415 0.000 2.447 2121 N HA -0.033 4.707 4.740 0.000 0.000 0.263 2121 N C -1.644 173.673 175.510 -0.321 0.000 1.226 2121 N CA -0.670 52.020 53.050 -0.601 0.000 0.906 2121 N CB 1.486 39.027 38.487 -1.576 0.000 1.060 2121 N HN 0.060 nan 8.380 nan 0.000 0.468 2122 P HA -0.102 nan 4.420 nan 0.000 0.218 2122 P C 0.341 177.629 177.300 -0.020 0.000 1.149 2122 P CA 1.121 64.175 63.100 -0.076 0.000 0.817 2122 P CB 0.421 32.084 31.700 -0.062 0.000 0.785 2123 N N -0.979 117.702 118.700 -0.030 0.000 2.494 2123 N HA -0.001 4.739 4.740 0.000 0.000 0.182 2123 N C 0.565 176.228 175.510 0.254 0.000 1.076 2123 N CA 0.414 53.515 53.050 0.085 0.000 0.908 2123 N CB -0.344 38.193 38.487 0.083 0.000 0.967 2123 N HN 0.115 nan 8.380 nan 0.000 0.449 2124 F N 2.007 121.959 119.950 0.004 0.000 2.459 2124 F HA 0.185 4.712 4.527 0.000 0.000 0.346 2124 F C 1.171 176.978 175.800 0.012 0.000 1.128 2124 F CA -0.396 57.608 58.000 0.006 0.000 1.268 2124 F CB 0.387 39.389 39.000 0.004 0.000 1.161 2124 F HN -0.189 nan 8.300 nan 0.000 0.583 2125 E N 0.845 121.140 120.200 0.157 0.000 2.299 2125 E HA 0.362 4.712 4.350 0.000 0.000 0.265 2125 E C -0.858 175.775 176.600 0.054 0.000 0.911 2125 E CA -0.965 55.490 56.400 0.092 0.000 0.789 2125 E CB 2.591 32.329 29.700 0.064 0.000 1.246 2125 E HN 0.156 nan 8.360 nan 0.000 0.427 2126 V N 1.051 120.997 119.914 0.054 0.000 2.763 2126 V HA 0.239 4.359 4.120 0.000 0.000 0.306 2126 V C 1.490 177.601 176.094 0.029 0.000 1.059 2126 V CA 1.896 64.223 62.300 0.044 0.000 1.138 2126 V CB 0.561 32.413 31.823 0.048 0.000 0.940 2126 V HN 1.023 nan 8.190 nan 0.000 0.489 2127 G N 3.249 112.062 108.800 0.022 0.000 2.217 2127 G HA2 -0.195 3.765 3.960 0.000 0.000 0.246 2127 G HA3 -0.195 3.765 3.960 0.000 0.000 0.246 2127 G C 0.072 174.972 174.900 0.000 0.000 0.990 2127 G CA 0.113 45.225 45.100 0.020 0.000 0.627 2127 G HN 0.662 nan 8.290 nan 0.000 0.522 2128 D N 0.285 120.658 120.400 -0.045 0.000 2.382 2128 D HA 0.457 5.097 4.640 0.000 0.000 0.240 2128 D C 0.749 176.957 176.300 -0.153 0.000 1.146 2128 D CA 0.323 54.245 54.000 -0.130 0.000 0.897 2128 D CB 0.723 41.357 40.800 -0.276 0.000 1.197 2128 D HN 0.303 nan 8.370 nan 0.000 0.432 2129 I N 2.237 122.678 120.570 -0.215 0.000 2.382 2129 I HA 0.203 4.373 4.170 0.000 0.000 0.286 2129 I C -0.003 175.963 176.117 -0.251 0.000 1.002 2129 I CA -0.428 60.764 61.300 -0.180 0.000 1.135 2129 I CB 1.440 39.329 38.000 -0.185 0.000 1.288 2129 I HN 0.102 nan 8.210 nan 0.000 0.448 2130 M N 7.652 127.164 119.600 -0.146 0.000 2.129 2130 M HA 0.366 4.846 4.480 0.000 0.000 0.348 2130 M C -1.199 175.120 176.300 0.032 0.000 1.116 2130 M CA -0.962 54.251 55.300 -0.146 0.000 1.022 2130 M CB 1.572 34.060 32.600 -0.186 0.000 1.599 2130 M HN 0.462 nan 8.290 nan 0.000 0.449 2131 L N 6.922 128.141 121.223 -0.007 0.000 2.367 2131 L HA 0.367 4.707 4.340 0.000 0.000 0.275 2131 L C -0.996 175.764 176.870 -0.183 0.000 1.129 2131 L CA 0.384 55.144 54.840 -0.134 0.000 0.839 2131 L CB 0.403 42.365 42.059 -0.161 0.000 1.133 2131 L HN 0.657 nan 8.230 nan 0.000 0.453 2132 I N 6.388 126.764 120.570 -0.324 0.000 2.363 2132 I HA 0.209 4.379 4.170 0.000 0.000 0.292 2132 I C 1.252 177.068 176.117 -0.501 0.000 1.075 2132 I CA 0.115 61.171 61.300 -0.407 0.000 1.333 2132 I CB 0.487 38.140 38.000 -0.578 0.000 1.415 2132 I HN 0.749 nan 8.210 nan 0.000 0.502 2133 R N 3.091 123.394 120.500 -0.329 0.000 2.265 2133 R HA 0.115 4.455 4.340 0.000 0.000 0.194 2133 R C -0.275 175.903 176.300 -0.204 0.000 0.931 2133 R CA 0.558 56.548 56.100 -0.182 0.000 1.032 2133 R CB 0.427 30.701 30.300 -0.043 0.000 0.980 2133 R HN 0.700 nan 8.270 nan 0.000 0.497 2134 D N -1.429 118.738 120.400 -0.388 0.000 2.764 2134 D HA 0.112 4.752 4.640 0.000 0.000 0.293 2134 D C -1.651 174.589 176.300 -0.100 0.000 1.287 2134 D CA -0.443 53.447 54.000 -0.183 0.000 0.768 2134 D CB 0.963 41.743 40.800 -0.034 0.000 1.288 2134 D HN 0.266 nan 8.370 nan 0.000 0.426 2135 H N -0.880 118.255 119.070 0.108 0.000 2.985 2135 H HA 0.701 5.257 4.556 0.000 0.000 0.360 2135 H C -0.954 174.425 175.328 0.085 0.000 1.221 2135 H CA -0.996 55.129 56.048 0.127 0.000 1.121 2135 H CB 1.415 31.314 29.762 0.228 0.000 1.854 2135 H HN 0.258 nan 8.280 nan 0.000 0.551 2136 I N 1.895 122.643 120.570 0.296 0.000 2.439 2136 I HA 0.124 4.294 4.170 0.000 0.000 0.283 2136 I C -0.202 175.880 176.117 -0.058 0.000 1.023 2136 I CA -0.386 60.981 61.300 0.113 0.000 1.100 2136 I CB 1.618 39.638 38.000 0.033 0.000 1.238 2136 I HN 0.622 nan 8.210 nan 0.000 0.445 2137 N N 7.039 125.631 118.700 -0.179 0.000 2.868 2137 N HA 0.251 4.991 4.740 0.000 0.000 0.252 2137 N C 0.982 176.134 175.510 -0.597 0.000 1.130 2137 N CA -0.310 52.541 53.050 -0.331 0.000 1.026 2137 N CB 0.652 38.989 38.487 -0.249 0.000 1.335 2137 N HN 0.658 nan 8.380 nan 0.000 0.516 2138 L N 2.880 123.820 121.223 -0.472 0.000 2.017 2138 L HA -0.068 4.272 4.340 0.000 0.000 0.208 2138 L C -0.680 176.076 176.870 -0.191 0.000 1.073 2138 L CA 1.232 55.801 54.840 -0.451 0.000 0.745 2138 L CB -1.481 40.481 42.059 -0.161 0.000 0.894 2138 L HN 0.436 nan 8.230 nan 0.000 0.432 2139 P HA -0.150 nan 4.420 nan 0.000 0.218 2139 P C 1.533 178.897 177.300 0.108 0.000 1.148 2139 P CA 1.676 64.839 63.100 0.105 0.000 0.822 2139 P CB -0.206 31.663 31.700 0.282 0.000 0.784 2140 G N -1.526 107.273 108.800 -0.002 0.000 2.471 2140 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 2140 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 2140 G C 1.028 176.045 174.900 0.195 0.000 1.125 2140 G CA 0.127 45.261 45.100 0.057 0.000 0.775 2140 G HN 0.130 nan 8.290 nan 0.000 0.548 2141 F N 2.006 122.004 119.950 0.079 0.000 2.365 2141 F HA 0.013 4.540 4.527 0.000 0.000 0.300 2141 F C 2.559 178.398 175.800 0.066 0.000 1.090 2141 F CA 0.689 58.729 58.000 0.067 0.000 1.408 2141 F CB -0.258 38.776 39.000 0.057 0.000 1.060 2141 F HN 0.227 nan 8.300 nan 0.000 0.534 2142 S N -1.915 113.939 115.700 0.257 0.000 2.593 2142 S HA 0.510 4.980 4.470 0.000 0.000 0.236 2142 S C 1.555 176.241 174.600 0.144 0.000 0.991 2142 S CA 0.204 58.508 58.200 0.172 0.000 0.963 2142 S CB 0.309 63.595 63.200 0.143 0.000 0.865 2142 S HN 0.468 nan 8.310 nan 0.000 0.488 2143 G N 1.077 109.973 108.800 0.159 0.000 2.194 2143 G HA2 -0.219 3.741 3.960 0.000 0.000 0.236 2143 G HA3 -0.219 3.741 3.960 0.000 0.000 0.236 2143 G C -0.042 174.953 174.900 0.158 0.000 0.987 2143 G CA -0.337 44.849 45.100 0.142 0.000 0.635 2143 G HN 0.466 nan 8.290 nan 0.000 0.520 2144 Q N 0.825 120.738 119.800 0.188 0.000 2.300 2144 Q HA 0.413 4.753 4.340 0.000 0.000 0.262 2144 Q C -0.060 176.163 176.000 0.371 0.000 1.109 2144 Q CA 0.509 56.471 55.803 0.266 0.000 0.905 2144 Q CB 0.489 29.394 28.738 0.277 0.000 1.280 2144 Q HN 0.658 nan 8.270 nan 0.000 0.426 2145 N N 2.598 121.504 118.700 0.343 0.000 2.371 2145 N HA 0.249 4.989 4.740 0.000 0.000 0.280 2145 N C -2.136 173.515 175.510 0.235 0.000 1.084 2145 N CA -1.202 51.978 53.050 0.217 0.000 0.892 2145 N CB 1.906 40.466 38.487 0.122 0.000 1.653 2145 N HN 0.054 nan 8.380 nan 0.000 0.480 2146 P HA -0.065 nan 4.420 nan 0.000 0.223 2146 P C 0.650 178.004 177.300 0.090 0.000 1.151 2146 P CA 0.982 64.185 63.100 0.171 0.000 0.787 2146 P CB 0.367 32.096 31.700 0.049 0.000 0.788 2147 L N -1.251 119.971 121.223 -0.002 0.000 2.591 2147 L HA 0.172 4.512 4.340 0.000 0.000 0.228 2147 L C 1.652 178.513 176.870 -0.014 0.000 1.133 2147 L CA -0.367 54.424 54.840 -0.082 0.000 0.880 2147 L CB -0.518 41.423 42.059 -0.197 0.000 1.033 2147 L HN -0.112 nan 8.230 nan 0.000 0.450 2148 R N 1.495 122.030 120.500 0.058 0.000 2.585 2148 R HA 0.342 4.682 4.340 0.000 0.000 0.275 2148 R C 0.283 176.604 176.300 0.035 0.000 1.018 2148 R CA 1.045 57.183 56.100 0.063 0.000 1.072 2148 R CB 0.248 30.611 30.300 0.106 0.000 0.953 2148 R HN 0.249 nan 8.270 nan 0.000 0.419 2149 G N 4.029 112.838 108.800 0.015 0.000 2.408 2149 G HA2 -0.136 3.824 3.960 0.000 0.000 0.682 2149 G HA3 -0.136 3.824 3.960 0.000 0.000 0.682 2149 G C -2.730 172.161 174.900 -0.015 0.000 1.303 2149 G CA -0.776 44.320 45.100 -0.007 0.000 0.966 2149 G HN 0.599 nan 8.290 nan 0.000 0.560 2150 P HA 0.234 nan 4.420 nan 0.000 0.269 2150 P C -0.161 177.133 177.300 -0.011 0.000 1.209 2150 P CA -0.237 62.851 63.100 -0.020 0.000 0.776 2150 P CB 0.611 32.304 31.700 -0.013 0.000 0.876 2151 N N 1.640 120.322 118.700 -0.029 0.000 2.497 2151 N HA 0.026 4.766 4.740 0.000 0.000 0.268 2151 N C -0.238 175.306 175.510 0.057 0.000 1.171 2151 N CA -0.029 53.024 53.050 0.006 0.000 0.948 2151 N CB 0.268 38.736 38.487 -0.032 0.000 1.069 2151 N HN 0.299 nan 8.380 nan 0.000 0.460 2152 E N 2.574 122.862 120.200 0.147 0.000 1.993 2152 E HA 0.052 4.402 4.350 0.000 0.000 0.271 2152 E C 0.618 177.290 176.600 0.119 0.000 1.008 2152 E CA -0.462 56.029 56.400 0.151 0.000 0.814 2152 E CB 0.236 30.135 29.700 0.333 0.000 1.098 2152 E HN 0.575 nan 8.360 nan 0.000 0.407 2153 E N 4.979 125.176 120.200 -0.006 0.000 2.209 2153 E HA -0.258 4.092 4.350 0.000 0.000 0.196 2153 E C 0.886 177.413 176.600 -0.122 0.000 0.993 2153 E CA 1.041 57.411 56.400 -0.051 0.000 0.819 2153 E CB -0.218 29.437 29.700 -0.074 0.000 0.745 2153 E HN 0.492 nan 8.360 nan 0.000 0.477 2154 R N -0.933 119.413 120.500 -0.256 0.000 2.328 2154 R HA 0.025 4.365 4.340 0.000 0.000 0.207 2154 R C 1.272 177.370 176.300 -0.336 0.000 1.056 2154 R CA 0.890 56.751 56.100 -0.400 0.000 1.016 2154 R CB -0.144 29.645 30.300 -0.852 0.000 0.872 2154 R HN 0.153 nan 8.270 nan 0.000 0.471 2155 F N -1.485 118.445 119.950 -0.034 0.000 2.490 2155 F HA 0.359 4.886 4.527 0.000 0.000 0.280 2155 F C 1.334 176.977 175.800 -0.262 0.000 1.030 2155 F CA 0.628 58.597 58.000 -0.051 0.000 1.367 2155 F CB 0.426 39.462 39.000 0.060 0.000 1.131 2155 F HN -0.006 nan 8.300 nan 0.000 0.632 2156 G N -0.649 108.025 108.800 -0.210 0.000 2.428 2156 G HA2 0.440 4.400 3.960 0.000 0.000 0.304 2156 G HA3 0.440 4.400 3.960 0.000 0.000 0.304 2156 G C -1.509 173.197 174.900 -0.323 0.000 1.303 2156 G CA -0.191 44.560 45.100 -0.583 0.000 0.825 2156 G HN 0.181 nan 8.290 nan 0.000 0.484 2157 V N -1.459 118.323 119.914 -0.219 0.000 3.336 2157 V HA 0.711 4.831 4.120 0.000 0.000 0.304 2157 V C 1.792 177.937 176.094 0.085 0.000 1.073 2157 V CA 0.125 62.415 62.300 -0.017 0.000 1.074 2157 V CB 1.461 33.286 31.823 0.003 0.000 1.161 2157 V HN 0.889 nan 8.190 nan 0.000 0.460 2158 R N 1.314 121.770 120.500 -0.073 0.000 2.066 2158 R HA 0.122 4.462 4.340 0.000 0.000 0.232 2158 R C 0.564 176.631 176.300 -0.389 0.000 1.131 2158 R CA 1.506 57.404 56.100 -0.337 0.000 0.955 2158 R CB -0.797 29.092 30.300 -0.685 0.000 0.851 2158 R HN 0.739 nan 8.270 nan 0.000 0.432 2159 F N 3.327 123.330 119.950 0.087 0.000 2.389 2159 F HA 0.401 4.928 4.527 0.000 0.000 0.327 2159 F C -1.864 173.983 175.800 0.078 0.000 1.204 2159 F CA -2.957 55.087 58.000 0.074 0.000 1.209 2159 F CB 0.534 39.566 39.000 0.052 0.000 1.460 2159 F HN 0.002 nan 8.300 nan 0.000 0.537 2160 P HA 0.172 nan 4.420 nan 0.000 0.265 2160 P C -0.286 177.095 177.300 0.135 0.000 1.193 2160 P CA -0.003 63.200 63.100 0.172 0.000 0.765 2160 P CB 1.235 33.063 31.700 0.213 0.000 0.823 2161 A N 3.955 126.830 122.820 0.091 0.000 2.371 2161 A HA 0.421 4.741 4.320 0.000 0.000 0.257 2161 A C 0.913 178.522 177.584 0.041 0.000 1.089 2161 A CA -0.278 51.798 52.037 0.064 0.000 0.794 2161 A CB 0.219 19.245 19.000 0.043 0.000 1.029 2161 A HN 0.534 nan 8.150 nan 0.000 0.488 2162 M N 1.571 121.189 119.600 0.030 0.000 2.279 2162 M HA 0.026 4.506 4.480 0.000 0.000 0.306 2162 M C 1.917 178.193 176.300 -0.039 0.000 0.965 2162 M CA 0.880 56.175 55.300 -0.009 0.000 1.038 2162 M CB -0.738 31.872 32.600 0.017 0.000 1.636 2162 M HN 0.942 nan 8.290 nan 0.000 0.574 2163 S N 1.173 116.868 115.700 -0.008 0.000 2.400 2163 S HA -0.122 4.348 4.470 0.000 0.000 0.232 2163 S C 0.944 175.542 174.600 -0.004 0.000 1.025 2163 S CA 1.622 59.820 58.200 -0.004 0.000 0.993 2163 S CB -0.539 62.667 63.200 0.010 0.000 0.808 2163 S HN 0.540 nan 8.310 nan 0.000 0.478 2164 D N 0.590 120.982 120.400 -0.014 0.000 2.643 2164 D HA 0.526 5.166 4.640 0.000 0.000 0.244 2164 D C 1.252 177.520 176.300 -0.053 0.000 1.257 2164 D CA 0.267 54.260 54.000 -0.011 0.000 0.831 2164 D CB 0.177 40.974 40.800 -0.006 0.000 1.043 2164 D HN 0.369 nan 8.370 nan 0.000 0.488 2165 A N 0.122 122.872 122.820 -0.117 0.000 1.883 2165 A HA -0.161 4.159 4.320 0.000 0.000 0.217 2165 A C 0.394 177.705 177.584 -0.454 0.000 1.186 2165 A CA 0.802 52.651 52.037 -0.312 0.000 0.624 2165 A CB -0.833 17.880 19.000 -0.478 0.000 0.822 2165 A HN 0.331 nan 8.150 nan 0.000 0.444 2166 Y N 0.851 121.133 120.300 -0.031 0.000 2.452 2166 Y HA 0.351 4.901 4.550 0.000 0.000 0.348 2166 Y C 0.174 176.073 175.900 -0.003 0.000 0.985 2166 Y CA -1.292 56.799 58.100 -0.015 0.000 1.214 2166 Y CB -0.020 38.419 38.460 -0.036 0.000 1.136 2166 Y HN 0.305 nan 8.280 nan 0.000 0.523 2167 D N 2.588 123.029 120.400 0.069 0.000 2.586 2167 D HA -0.081 4.559 4.640 0.000 0.000 0.234 2167 D C 1.390 177.711 176.300 0.035 0.000 1.132 2167 D CA 0.555 54.580 54.000 0.041 0.000 0.860 2167 D CB 0.764 41.586 40.800 0.036 0.000 1.159 2167 D HN 0.571 nan 8.370 nan 0.000 0.490 2168 R N 2.665 123.179 120.500 0.023 0.000 2.066 2168 R HA -0.125 4.215 4.340 0.000 0.000 0.232 2168 R C 1.020 177.322 176.300 0.004 0.000 1.131 2168 R CA 1.301 57.415 56.100 0.024 0.000 0.955 2168 R CB 0.094 30.407 30.300 0.023 0.000 0.851 2168 R HN 0.606 nan 8.270 nan 0.000 0.432 2169 D N 0.021 120.411 120.400 -0.015 0.000 2.218 2169 D HA -0.174 4.466 4.640 0.000 0.000 0.204 2169 D C 1.773 178.027 176.300 -0.078 0.000 0.976 2169 D CA 1.016 54.996 54.000 -0.032 0.000 0.853 2169 D CB 0.063 40.842 40.800 -0.035 0.000 0.939 2169 D HN 0.234 nan 8.370 nan 0.000 0.481 2170 M N 0.001 119.520 119.600 -0.135 0.000 2.288 2170 M HA -0.002 4.478 4.480 0.000 0.000 0.266 2170 M C 2.092 178.276 176.300 -0.194 0.000 1.072 2170 M CA 0.822 55.940 55.300 -0.303 0.000 1.132 2170 M CB -0.636 31.595 32.600 -0.615 0.000 1.386 2170 M HN -0.102 nan 8.290 nan 0.000 0.432 2171 R N -0.078 120.379 120.500 -0.071 0.000 2.120 2171 R HA -0.105 4.235 4.340 0.000 0.000 0.234 2171 R C 2.280 178.645 176.300 0.108 0.000 1.123 2171 R CA 1.112 57.213 56.100 0.002 0.000 0.975 2171 R CB -0.029 30.308 30.300 0.061 0.000 0.866 2171 R HN 0.506 nan 8.270 nan 0.000 0.446 2172 Q N -0.003 119.853 119.800 0.094 0.000 2.137 2172 Q HA -0.096 4.244 4.340 0.000 0.000 0.198 2172 Q C 1.706 177.781 176.000 0.124 0.000 0.960 2172 Q CA 1.038 56.925 55.803 0.140 0.000 0.847 2172 Q CB 0.068 28.851 28.738 0.075 0.000 0.915 2172 Q HN 0.293 nan 8.270 nan 0.000 0.448 2173 K N 0.685 121.109 120.400 0.040 0.000 2.217 2173 K HA -0.026 4.294 4.320 0.000 0.000 0.202 2173 K C 2.061 178.715 176.600 0.091 0.000 1.051 2173 K CA 0.848 57.153 56.287 0.031 0.000 0.952 2173 K CB -0.022 32.441 32.500 -0.063 0.000 0.736 2173 K HN 0.105 nan 8.250 nan 0.000 0.453 2174 A N 1.238 124.106 122.820 0.080 0.000 1.873 2174 A HA -0.175 4.145 4.320 0.000 0.000 0.215 2174 A C 1.810 179.599 177.584 0.341 0.000 1.186 2174 A CA 1.254 53.438 52.037 0.245 0.000 0.616 2174 A CB -0.655 18.468 19.000 0.204 0.000 0.823 2174 A HN 0.250 nan 8.150 nan 0.000 0.442 2175 H N -0.019 119.200 119.070 0.249 0.000 2.353 2175 H HA -0.065 4.491 4.556 0.000 0.000 0.300 2175 H C 2.522 177.989 175.328 0.231 0.000 1.090 2175 H CA 1.702 57.870 56.048 0.199 0.000 1.327 2175 H CB -0.266 29.558 29.762 0.103 0.000 1.383 2175 H HN 0.467 nan 8.280 nan 0.000 0.508 2176 S N -0.223 115.657 115.700 0.299 0.000 2.383 2176 S HA -0.093 4.377 4.470 0.000 0.000 0.227 2176 S C 2.212 176.947 174.600 0.225 0.000 1.026 2176 S CA 1.350 59.679 58.200 0.215 0.000 0.981 2176 S CB -0.144 63.143 63.200 0.145 0.000 0.818 2176 S HN 0.442 nan 8.310 nan 0.000 0.472 2177 T N 0.943 115.669 114.554 0.287 0.000 2.951 2177 T HA -0.065 4.285 4.350 0.000 0.000 0.268 2177 T C 1.248 176.163 174.700 0.359 0.000 1.073 2177 T CA 0.504 62.791 62.100 0.311 0.000 1.134 2177 T CB -0.207 68.871 68.868 0.351 0.000 0.884 2177 T HN 0.592 nan 8.240 nan 0.000 0.479 2178 W N 2.668 124.066 121.300 0.164 0.000 2.392 2178 W HA -0.093 4.567 4.660 0.000 0.000 0.279 2178 W C 1.477 177.960 176.519 -0.059 0.000 1.225 2178 W CA 0.847 58.121 57.345 -0.119 0.000 1.233 2178 W CB -0.069 29.261 29.460 -0.217 0.000 1.122 2178 W HN 0.317 nan 8.180 nan 0.000 0.561 2179 K N 0.386 120.860 120.400 0.123 0.000 2.032 2179 K HA -0.244 4.076 4.320 0.000 0.000 0.209 2179 K C 1.800 178.354 176.600 -0.077 0.000 1.048 2179 K CA 1.836 58.141 56.287 0.031 0.000 0.927 2179 K CB -0.536 32.013 32.500 0.080 0.000 0.712 2179 K HN 0.109 nan 8.250 nan 0.000 0.441 2180 Q N -0.027 119.746 119.800 -0.044 0.000 2.488 2180 Q HA 0.057 4.397 4.340 0.000 0.000 0.211 2180 Q C 1.731 177.641 176.000 -0.150 0.000 0.967 2180 Q CA 0.647 56.412 55.803 -0.064 0.000 0.926 2180 Q CB 0.113 28.851 28.738 -0.001 0.000 0.992 2180 Q HN 0.203 nan 8.270 nan 0.000 0.506 2181 M N -1.576 117.839 119.600 -0.308 0.000 2.374 2181 M HA 0.025 4.505 4.480 0.000 0.000 0.264 2181 M C 1.573 177.630 176.300 -0.405 0.000 1.067 2181 M CA 1.496 56.514 55.300 -0.469 0.000 1.103 2181 M CB -0.786 31.183 32.600 -1.051 0.000 1.402 2181 M HN 0.463 nan 8.290 nan 0.000 0.444 2182 G N -0.308 108.286 108.800 -0.345 0.000 2.396 2182 G HA2 -0.233 3.727 3.960 0.000 0.000 0.242 2182 G HA3 -0.233 3.727 3.960 0.000 0.000 0.242 2182 G C 0.221 174.963 174.900 -0.263 0.000 1.069 2182 G CA 0.328 45.286 45.100 -0.236 0.000 0.633 2182 G HN 0.435 nan 8.290 nan 0.000 0.517 2183 E N 0.916 120.870 120.200 -0.410 0.000 2.864 2183 E HA -0.061 4.289 4.350 0.000 0.000 0.285 2183 E C 1.487 177.990 176.600 -0.161 0.000 0.965 2183 E CA 0.540 56.736 56.400 -0.339 0.000 0.985 2183 E CB 0.279 29.618 29.700 -0.601 0.000 1.000 2183 E HN 0.549 nan 8.360 nan 0.000 0.475 2184 Q N 1.686 121.450 119.800 -0.060 0.000 2.089 2184 Q HA -0.029 4.312 4.340 0.000 0.000 0.195 2184 Q C 0.988 177.030 176.000 0.070 0.000 0.963 2184 Q CA 0.844 56.647 55.803 0.001 0.000 0.834 2184 Q CB -0.006 28.733 28.738 0.002 0.000 0.906 2184 Q HN 0.369 nan 8.270 nan 0.000 0.452 2185 R N 1.631 122.195 120.500 0.108 0.000 2.594 2185 R HA 0.053 4.393 4.340 0.000 0.000 0.272 2185 R C -0.200 176.278 176.300 0.297 0.000 1.074 2185 R CA 0.005 56.198 56.100 0.154 0.000 1.105 2185 R CB 0.586 30.957 30.300 0.119 0.000 1.008 2185 R HN 0.063 nan 8.270 nan 0.000 0.472 2186 E N 2.396 122.712 120.200 0.193 0.000 2.408 2186 E HA -0.020 4.330 4.350 0.000 0.000 0.259 2186 E C -0.457 176.040 176.600 -0.171 0.000 1.110 2186 E CA -0.276 56.216 56.400 0.154 0.000 0.929 2186 E CB 0.620 30.359 29.700 0.064 0.000 0.971 2186 E HN 0.391 nan 8.360 nan 0.000 0.438 2187 L N 3.254 124.081 121.223 -0.660 0.000 2.283 2187 L HA 0.061 4.401 4.340 0.000 0.000 0.287 2187 L C 0.012 176.612 176.870 -0.449 0.000 1.073 2187 L CA -0.409 53.715 54.840 -1.193 0.000 0.822 2187 L CB 0.465 41.557 42.059 -1.612 0.000 1.186 2187 L HN 0.461 nan 8.230 nan 0.000 0.436 2188 Q N 4.187 123.753 119.800 -0.390 0.000 2.471 2188 Q HA 0.210 4.550 4.340 0.000 0.000 0.223 2188 Q C -0.428 175.517 176.000 -0.092 0.000 1.045 2188 Q CA 0.162 55.837 55.803 -0.213 0.000 0.956 2188 Q CB 1.272 29.695 28.738 -0.526 0.000 1.249 2188 Q HN 0.689 nan 8.270 nan 0.000 0.549 2189 E N -1.409 118.840 120.200 0.082 0.000 2.372 2189 E HA 0.642 4.992 4.350 0.000 0.000 0.279 2189 E C -1.169 175.552 176.600 0.202 0.000 0.946 2189 E CA -0.481 55.985 56.400 0.111 0.000 0.769 2189 E CB 1.651 31.447 29.700 0.160 0.000 1.230 2189 E HN 0.670 nan 8.360 nan 0.000 0.442 2190 G N 0.865 109.741 108.800 0.127 0.000 2.341 2190 G HA2 0.279 4.239 3.960 0.000 0.000 0.299 2190 G HA3 0.279 4.239 3.960 0.000 0.000 0.299 2190 G C -1.339 173.586 174.900 0.041 0.000 1.274 2190 G CA -0.546 44.626 45.100 0.121 0.000 0.853 2190 G HN 0.380 nan 8.290 nan 0.000 0.493 2191 T N 0.742 115.322 114.554 0.042 0.000 2.767 2191 T HA 0.474 4.824 4.350 0.000 0.000 0.284 2191 T C -1.152 173.597 174.700 0.083 0.000 0.973 2191 T CA 0.072 62.192 62.100 0.032 0.000 0.996 2191 T CB 0.835 69.716 68.868 0.021 0.000 0.927 2191 T HN 0.475 nan 8.240 nan 0.000 0.456 2192 Y N 4.549 124.828 120.300 -0.034 0.000 2.341 2192 Y HA 0.560 5.110 4.550 0.000 0.000 0.340 2192 Y C -0.290 175.620 175.900 0.016 0.000 0.997 2192 Y CA -0.736 57.358 58.100 -0.008 0.000 1.149 2192 Y CB 0.733 39.173 38.460 -0.034 0.000 1.171 2192 Y HN 0.407 nan 8.280 nan 0.000 0.494 2193 V N 9.059 128.749 119.914 -0.372 0.000 2.427 2193 V HA 0.443 4.563 4.120 0.000 0.000 0.286 2193 V C -0.726 175.088 176.094 -0.467 0.000 1.034 2193 V CA -0.763 61.372 62.300 -0.275 0.000 0.893 2193 V CB 1.263 32.974 31.823 -0.187 0.000 0.982 2193 V HN 0.895 nan 8.190 nan 0.000 0.452 2194 M N 7.849 127.323 119.600 -0.209 0.000 2.294 2194 M HA 0.592 5.072 4.480 0.000 0.000 0.335 2194 M C -1.678 174.578 176.300 -0.074 0.000 1.079 2194 M CA -0.521 54.709 55.300 -0.117 0.000 0.982 2194 M CB 1.393 34.033 32.600 0.068 0.000 1.651 2194 M HN 0.728 nan 8.290 nan 0.000 0.437 2195 L N 2.717 123.924 121.223 -0.027 0.000 2.303 2195 L HA 0.827 5.167 4.340 0.000 0.000 0.256 2195 L C 0.817 177.750 176.870 0.105 0.000 1.034 2195 L CA -0.618 54.234 54.840 0.021 0.000 0.832 2195 L CB -0.034 42.019 42.059 -0.010 0.000 1.403 2195 L HN 0.672 nan 8.230 nan 0.000 0.419 2196 G N -0.909 107.964 108.800 0.122 0.000 2.404 2196 G HA2 0.373 4.333 3.960 0.000 0.000 0.215 2196 G HA3 0.373 4.333 3.960 0.000 0.000 0.215 2196 G C 0.775 175.804 174.900 0.215 0.000 1.174 2196 G CA 0.856 46.061 45.100 0.174 0.000 0.780 2196 G HN 1.441 nan 8.290 nan 0.000 0.537 2197 G N 0.305 109.185 108.800 0.135 0.000 2.645 2197 G HA2 -0.171 3.789 3.960 0.000 0.000 0.239 2197 G HA3 -0.171 3.789 3.960 0.000 0.000 0.239 2197 G C -0.767 174.187 174.900 0.090 0.000 1.331 2197 G CA 0.279 45.439 45.100 0.099 0.000 0.890 2197 G HN 0.431 nan 8.290 nan 0.000 0.572 2198 P HA 0.053 nan 4.420 nan 0.000 0.236 2198 P C 0.603 177.853 177.300 -0.084 0.000 1.177 2198 P CA 0.964 63.897 63.100 -0.279 0.000 0.773 2198 P CB -0.414 31.022 31.700 -0.442 0.000 0.878 2199 N N 0.063 118.766 118.700 0.005 0.000 2.518 2199 N HA 0.069 4.809 4.740 0.000 0.000 0.266 2199 N C -0.393 175.259 175.510 0.237 0.000 1.196 2199 N CA -0.473 52.616 53.050 0.065 0.000 0.947 2199 N CB 0.016 38.522 38.487 0.032 0.000 1.098 2199 N HN -0.086 nan 8.380 nan 0.000 0.450 2200 F N 0.232 120.141 119.950 -0.068 0.000 2.403 2200 F HA 0.129 4.656 4.527 0.000 0.000 0.320 2200 F C 1.212 176.993 175.800 -0.033 0.000 1.176 2200 F CA -0.909 57.061 58.000 -0.049 0.000 1.206 2200 F CB 0.652 39.626 39.000 -0.043 0.000 1.235 2200 F HN 0.436 nan 8.300 nan 0.000 0.565 2201 E N 0.337 120.592 120.200 0.092 0.000 2.404 2201 E HA 0.110 4.460 4.350 0.000 0.000 0.261 2201 E C 0.030 176.661 176.600 0.052 0.000 1.074 2201 E CA -0.170 56.252 56.400 0.037 0.000 0.917 2201 E CB 0.369 30.055 29.700 -0.022 0.000 0.965 2201 E HN 0.484 nan 8.360 nan 0.000 0.433 2202 T N -2.067 112.506 114.554 0.031 0.000 2.847 2202 T HA 0.202 4.552 4.350 0.000 0.000 0.279 2202 T C 1.268 175.978 174.700 0.016 0.000 0.984 2202 T CA -0.828 61.287 62.100 0.026 0.000 0.988 2202 T CB 0.806 69.686 68.868 0.019 0.000 1.040 2202 T HN 0.117 nan 8.240 nan 0.000 0.528 2203 V N 1.402 121.325 119.914 0.014 0.000 2.287 2203 V HA -0.156 3.964 4.120 0.000 0.000 0.248 2203 V C 3.120 179.215 176.094 0.003 0.000 1.053 2203 V CA 2.410 64.714 62.300 0.008 0.000 1.027 2203 V CB -1.646 30.182 31.823 0.008 0.000 0.646 2203 V HN 1.084 nan 8.190 nan 0.000 0.447 2204 A N -0.630 122.192 122.820 0.004 0.000 1.972 2204 A HA -0.240 4.080 4.320 0.000 0.000 0.219 2204 A C 2.165 179.749 177.584 0.001 0.000 1.169 2204 A CA 1.897 53.935 52.037 0.002 0.000 0.635 2204 A CB -0.436 18.567 19.000 0.005 0.000 0.810 2204 A HN 0.656 nan 8.150 nan 0.000 0.446 2205 E N -0.930 119.271 120.200 0.001 0.000 2.072 2205 E HA -0.143 4.207 4.350 0.000 0.000 0.190 2205 E C 2.061 178.652 176.600 -0.015 0.000 0.982 2205 E CA 1.167 57.565 56.400 -0.003 0.000 0.803 2205 E CB -0.332 29.368 29.700 -0.001 0.000 0.755 2205 E HN 0.671 nan 8.360 nan 0.000 0.453 2206 C N 0.762 120.052 119.300 -0.017 0.000 2.413 2206 C HA -0.122 4.338 4.460 0.000 0.000 0.276 2206 C C 2.569 177.541 174.990 -0.029 0.000 1.236 2206 C CA 0.693 59.693 59.018 -0.029 0.000 1.735 2206 C CB -0.893 26.834 27.740 -0.023 0.000 2.031 2206 C HN 0.400 nan 8.230 nan 0.000 0.474 2207 R N 0.509 120.998 120.500 -0.019 0.000 2.083 2207 R HA -0.142 4.198 4.340 0.000 0.000 0.237 2207 R C 2.295 178.584 176.300 -0.018 0.000 1.137 2207 R CA 1.449 57.538 56.100 -0.019 0.000 0.951 2207 R CB -0.707 29.585 30.300 -0.012 0.000 0.851 2207 R HN 0.591 nan 8.270 nan 0.000 0.434 2208 L N 1.048 122.265 121.223 -0.012 0.000 2.042 2208 L HA -0.185 4.155 4.340 0.000 0.000 0.210 2208 L C 2.048 178.914 176.870 -0.008 0.000 1.076 2208 L CA 1.521 56.358 54.840 -0.005 0.000 0.749 2208 L CB -0.156 41.905 42.059 0.003 0.000 0.893 2208 L HN 0.214 nan 8.230 nan 0.000 0.432 2209 L N -0.354 120.857 121.223 -0.019 0.000 2.109 2209 L HA -0.169 4.171 4.340 0.000 0.000 0.207 2209 L C 2.885 179.731 176.870 -0.040 0.000 1.086 2209 L CA 1.115 55.938 54.840 -0.029 0.000 0.760 2209 L CB -0.522 41.505 42.059 -0.052 0.000 0.910 2209 L HN 0.324 nan 8.230 nan 0.000 0.437 2210 R N 0.529 121.001 120.500 -0.048 0.000 2.073 2210 R HA -0.157 4.183 4.340 0.000 0.000 0.234 2210 R C 1.850 178.123 176.300 -0.046 0.000 1.134 2210 R CA 1.715 57.779 56.100 -0.061 0.000 0.952 2210 R CB -0.109 30.152 30.300 -0.065 0.000 0.850 2210 R HN 0.367 nan 8.270 nan 0.000 0.433 2211 N N 0.549 119.231 118.700 -0.030 0.000 2.520 2211 N HA -0.117 4.623 4.740 0.000 0.000 0.185 2211 N C 1.066 176.570 175.510 -0.009 0.000 1.068 2211 N CA 0.598 53.636 53.050 -0.020 0.000 0.911 2211 N CB 0.011 38.490 38.487 -0.013 0.000 0.961 2211 N HN 0.181 nan 8.380 nan 0.000 0.446 2212 L N -0.665 120.556 121.223 -0.004 0.000 2.558 2212 L HA 0.245 4.585 4.340 0.000 0.000 0.225 2212 L C 1.401 178.278 176.870 0.012 0.000 1.128 2212 L CA 0.482 55.332 54.840 0.016 0.000 0.868 2212 L CB -0.470 41.609 42.059 0.034 0.000 1.006 2212 L HN 0.306 nan 8.230 nan 0.000 0.454 2213 G N -1.693 107.100 108.800 -0.011 0.000 2.168 2213 G HA2 -0.144 3.816 3.960 0.000 0.000 0.197 2213 G HA3 -0.144 3.816 3.960 0.000 0.000 0.197 2213 G C 0.484 175.365 174.900 -0.032 0.000 0.997 2213 G CA -0.038 45.051 45.100 -0.019 0.000 0.658 2213 G HN 0.617 nan 8.290 nan 0.000 0.513 2214 A N 0.040 122.835 122.820 -0.042 0.000 2.388 2214 A HA 0.637 4.957 4.320 0.000 0.000 0.257 2214 A C 0.926 178.454 177.584 -0.093 0.000 1.095 2214 A CA 0.618 52.620 52.037 -0.058 0.000 0.791 2214 A CB 0.469 19.424 19.000 -0.076 0.000 1.029 2214 A HN 0.156 nan 8.150 nan 0.000 0.489 2215 D N 0.256 120.609 120.400 -0.078 0.000 2.422 2215 D HA 0.329 4.969 4.640 0.000 0.000 0.218 2215 D C 0.414 176.706 176.300 -0.014 0.000 1.047 2215 D CA 1.274 55.190 54.000 -0.140 0.000 0.885 2215 D CB 0.626 41.366 40.800 -0.100 0.000 1.035 2215 D HN 0.667 nan 8.370 nan 0.000 0.502 2216 A N 0.832 123.667 122.820 0.025 0.000 2.486 2216 A HA 0.587 4.907 4.320 0.000 0.000 0.300 2216 A C -0.853 176.590 177.584 -0.236 0.000 1.048 2216 A CA -0.568 51.481 52.037 0.020 0.000 0.696 2216 A CB 1.846 20.962 19.000 0.193 0.000 1.278 2216 A HN -0.102 nan 8.150 nan 0.000 0.405 2217 V N 0.512 120.269 119.914 -0.261 0.000 2.628 2217 V HA 0.960 5.080 4.120 0.000 0.000 0.306 2217 V C 0.586 176.450 176.094 -0.383 0.000 1.045 2217 V CA 0.118 62.174 62.300 -0.408 0.000 0.905 2217 V CB 1.256 32.910 31.823 -0.282 0.000 0.997 2217 V HN 1.597 nan 8.190 nan 0.000 0.436 2218 G N 2.344 110.869 108.800 -0.458 0.000 2.663 2218 G HA2 0.624 4.584 3.960 0.000 0.000 0.299 2218 G HA3 0.624 4.584 3.960 0.000 0.000 0.299 2218 G C -0.913 174.021 174.900 0.057 0.000 1.372 2218 G CA -0.807 44.251 45.100 -0.069 0.000 0.781 2218 G HN 0.556 nan 8.290 nan 0.000 0.491 2219 M N 1.389 121.142 119.600 0.254 0.000 2.809 2219 M HA 0.368 4.848 4.480 0.000 0.000 0.388 2219 M C 0.310 176.855 176.300 0.408 0.000 1.248 2219 M CA -0.392 55.103 55.300 0.325 0.000 0.885 2219 M CB 0.881 33.740 32.600 0.431 0.000 1.386 2219 M HN 0.601 nan 8.290 nan 0.000 0.509 2220 S N -2.707 113.213 115.700 0.366 0.000 2.929 2220 S HA 0.679 5.149 4.470 0.000 0.000 0.311 2220 S C 0.540 175.187 174.600 0.078 0.000 1.213 2220 S CA 0.248 58.575 58.200 0.212 0.000 0.908 2220 S CB 1.669 64.974 63.200 0.175 0.000 1.287 2220 S HN 0.252 nan 8.310 nan 0.000 0.594 2221 T N 0.139 114.651 114.554 -0.071 0.000 12.481 2221 T HA -0.274 4.076 4.350 0.000 0.000 0.418 2221 T C 1.391 175.981 174.700 -0.183 0.000 1.450 2221 T CA 1.834 63.831 62.100 -0.171 0.000 2.393 2221 T CB -2.213 66.440 68.868 -0.359 0.000 2.837 2221 T HN 1.027 nan 8.240 nan 0.000 0.792 2222 V N 2.984 122.781 119.914 -0.194 0.000 2.282 2222 V HA -0.174 3.946 4.120 0.000 0.000 0.249 2222 V C -0.184 175.701 176.094 -0.349 0.000 1.057 2222 V CA 2.811 64.908 62.300 -0.338 0.000 1.032 2222 V CB -1.629 29.907 31.823 -0.479 0.000 0.645 2222 V HN 0.448 nan 8.190 nan 0.000 0.447 2223 P HA -0.152 nan 4.420 nan 0.000 0.214 2223 P C 1.552 178.691 177.300 -0.268 0.000 1.163 2223 P CA 1.441 64.255 63.100 -0.477 0.000 0.889 2223 P CB -0.021 31.288 31.700 -0.652 0.000 0.790 2224 E N -0.740 119.337 120.200 -0.204 0.000 2.118 2224 E HA -0.128 4.222 4.350 0.000 0.000 0.195 2224 E C 2.007 178.530 176.600 -0.128 0.000 0.992 2224 E CA 0.979 57.291 56.400 -0.147 0.000 0.804 2224 E CB -1.170 28.459 29.700 -0.119 0.000 0.741 2224 E HN 0.013 nan 8.360 nan 0.000 0.458 2225 V N 0.752 120.590 119.914 -0.127 0.000 2.343 2225 V HA -0.246 3.874 4.120 0.000 0.000 0.247 2225 V C 2.131 178.172 176.094 -0.089 0.000 1.051 2225 V CA 1.564 63.797 62.300 -0.112 0.000 1.036 2225 V CB -0.396 31.386 31.823 -0.068 0.000 0.654 2225 V HN 0.260 nan 8.190 nan 0.000 0.451 2226 I N -0.330 120.194 120.570 -0.076 0.000 2.163 2226 I HA -0.226 3.944 4.170 0.000 0.000 0.243 2226 I C 2.343 178.432 176.117 -0.046 0.000 1.085 2226 I CA 1.406 62.681 61.300 -0.042 0.000 1.347 2226 I CB -0.414 37.543 38.000 -0.072 0.000 1.044 2226 I HN 0.132 nan 8.210 nan 0.000 0.408 2227 V N 0.818 120.675 119.914 -0.095 0.000 2.515 2227 V HA -0.249 3.871 4.120 0.000 0.000 0.250 2227 V C 2.585 178.637 176.094 -0.069 0.000 1.058 2227 V CA 1.793 64.031 62.300 -0.103 0.000 1.064 2227 V CB -0.890 30.833 31.823 -0.167 0.000 0.675 2227 V HN 0.488 nan 8.190 nan 0.000 0.461 2228 A N -0.143 122.632 122.820 -0.076 0.000 1.872 2228 A HA -0.135 4.185 4.320 0.000 0.000 0.214 2228 A C 2.350 179.911 177.584 -0.038 0.000 1.187 2228 A CA 1.128 53.129 52.037 -0.061 0.000 0.614 2228 A CB -0.390 18.570 19.000 -0.067 0.000 0.826 2228 A HN 0.362 nan 8.150 nan 0.000 0.442 2229 R N -0.562 119.914 120.500 -0.040 0.000 2.096 2229 R HA -0.126 4.214 4.340 0.000 0.000 0.235 2229 R C 2.112 178.423 176.300 0.018 0.000 1.127 2229 R CA 1.529 57.612 56.100 -0.028 0.000 0.968 2229 R CB -1.238 29.035 30.300 -0.045 0.000 0.861 2229 R HN 0.846 nan 8.270 nan 0.000 0.440 2230 H N 0.556 119.595 119.070 -0.052 0.000 2.352 2230 H HA -0.121 4.435 4.556 0.000 0.000 0.299 2230 H C 1.131 176.453 175.328 -0.010 0.000 1.097 2230 H CA 1.947 57.976 56.048 -0.031 0.000 1.311 2230 H CB 0.163 29.895 29.762 -0.050 0.000 1.377 2230 H HN 0.321 nan 8.280 nan 0.000 0.504 2231 C N 0.097 119.379 119.300 -0.030 0.000 2.396 2231 C HA 0.556 5.016 4.460 0.000 0.000 0.334 2231 C C 1.591 176.570 174.990 -0.018 0.000 1.313 2231 C CA 0.119 59.119 59.018 -0.031 0.000 1.719 2231 C CB -1.027 26.742 27.740 0.048 0.000 1.893 2231 C HN 0.745 nan 8.230 nan 0.000 0.589 2232 G N 1.015 109.791 108.800 -0.039 0.000 2.160 2232 G HA2 -0.237 3.723 3.960 0.000 0.000 0.251 2232 G HA3 -0.237 3.723 3.960 0.000 0.000 0.251 2232 G C -0.151 174.744 174.900 -0.010 0.000 1.008 2232 G CA 0.374 45.459 45.100 -0.024 0.000 0.724 2232 G HN 0.717 nan 8.290 nan 0.000 0.514 2233 L N -0.194 121.023 121.223 -0.011 0.000 2.395 2233 L HA 0.450 4.790 4.340 0.000 0.000 0.269 2233 L C 1.343 178.206 176.870 -0.012 0.000 1.133 2233 L CA -0.908 53.930 54.840 -0.003 0.000 0.812 2233 L CB 0.885 42.943 42.059 -0.001 0.000 1.125 2233 L HN 0.287 nan 8.230 nan 0.000 0.452 2234 R N 1.709 122.214 120.500 0.008 0.000 2.490 2234 R HA 0.502 4.842 4.340 0.000 0.000 0.280 2234 R C -1.377 174.940 176.300 0.029 0.000 1.077 2234 R CA -0.368 55.745 56.100 0.022 0.000 1.065 2234 R CB 1.010 31.342 30.300 0.054 0.000 1.003 2234 R HN 0.434 nan 8.270 nan 0.000 0.470 2235 V N 6.057 125.980 119.914 0.014 0.000 2.638 2235 V HA 0.555 4.675 4.120 0.000 0.000 0.306 2235 V C -0.957 175.214 176.094 0.128 0.000 1.052 2235 V CA -0.592 61.700 62.300 -0.014 0.000 0.885 2235 V CB 1.490 33.201 31.823 -0.187 0.000 0.999 2235 V HN 0.772 nan 8.190 nan 0.000 0.424 2236 F N 2.054 121.973 119.950 -0.051 0.000 2.619 2236 F HA 1.019 5.546 4.527 0.000 0.000 0.308 2236 F C -0.145 175.584 175.800 -0.120 0.000 1.097 2236 F CA -0.380 57.588 58.000 -0.054 0.000 0.953 2236 F CB 1.921 40.864 39.000 -0.095 0.000 1.287 2236 F HN 0.777 nan 8.300 nan 0.000 0.446 2237 G N 1.032 109.674 108.800 -0.263 0.000 2.600 2237 G HA2 0.679 4.639 3.960 0.000 0.000 0.293 2237 G HA3 0.679 4.639 3.960 0.000 0.000 0.293 2237 G C -2.505 171.929 174.900 -0.777 0.000 1.408 2237 G CA -1.009 43.825 45.100 -0.443 0.000 0.782 2237 G HN 0.657 nan 8.290 nan 0.000 0.482 2238 F N -0.437 119.480 119.950 -0.055 0.000 2.601 2238 F HA 0.701 5.228 4.527 0.000 0.000 0.309 2238 F C 0.208 175.979 175.800 -0.048 0.000 1.089 2238 F CA -0.852 57.127 58.000 -0.034 0.000 0.940 2238 F CB 2.747 41.763 39.000 0.027 0.000 1.273 2238 F HN 0.337 nan 8.300 nan 0.000 0.450 2239 S N 2.440 118.235 115.700 0.159 0.000 2.449 2239 S HA 0.509 4.979 4.470 0.000 0.000 0.310 2239 S C -0.897 173.765 174.600 0.103 0.000 1.096 2239 S CA -0.617 57.661 58.200 0.129 0.000 1.095 2239 S CB 1.195 64.504 63.200 0.181 0.000 1.007 2239 S HN 0.582 nan 8.310 nan 0.000 0.474 2240 L N 5.173 126.452 121.223 0.093 0.000 2.281 2240 L HA 0.429 4.769 4.340 0.000 0.000 0.285 2240 L C -0.870 176.031 176.870 0.052 0.000 1.074 2240 L CA -0.680 54.194 54.840 0.056 0.000 0.817 2240 L CB 0.290 42.387 42.059 0.064 0.000 1.168 2240 L HN 0.533 nan 8.230 nan 0.000 0.434 2241 I N 5.333 125.910 120.570 0.011 0.000 2.329 2241 I HA 0.020 4.190 4.170 0.000 0.000 0.295 2241 I C 1.537 177.683 176.117 0.048 0.000 1.109 2241 I CA 0.145 61.466 61.300 0.034 0.000 1.297 2241 I CB 0.527 38.529 38.000 0.004 0.000 1.433 2241 I HN 0.630 nan 8.210 nan 0.000 0.509 2242 T N 2.243 116.838 114.554 0.068 0.000 3.107 2242 T HA 0.133 4.483 4.350 0.000 0.000 0.249 2242 T C 0.390 175.139 174.700 0.082 0.000 1.096 2242 T CA -0.175 61.969 62.100 0.074 0.000 1.012 2242 T CB -0.377 68.545 68.868 0.089 0.000 0.977 2242 T HN 0.693 nan 8.240 nan 0.000 0.527 2243 N N -0.831 117.919 118.700 0.083 0.000 2.935 2243 N HA 0.329 5.069 4.740 0.000 0.000 0.248 2243 N C -1.991 173.566 175.510 0.079 0.000 1.276 2243 N CA -1.220 51.883 53.050 0.088 0.000 0.906 2243 N CB 1.255 39.817 38.487 0.125 0.000 1.564 2243 N HN -0.074 nan 8.380 nan 0.000 0.500 2244 K N 1.293 121.738 120.400 0.075 0.000 2.263 2244 K HA 0.363 4.683 4.320 0.000 0.000 0.272 2244 K C -0.138 176.493 176.600 0.051 0.000 1.033 2244 K CA -0.964 55.363 56.287 0.067 0.000 0.884 2244 K CB 1.636 34.175 32.500 0.065 0.000 1.107 2244 K HN 0.538 nan 8.250 nan 0.000 0.460 2245 V N 1.661 121.592 119.914 0.029 0.000 2.763 2245 V HA 0.077 4.197 4.120 0.000 0.000 0.306 2245 V C 0.554 176.664 176.094 0.026 0.000 1.059 2245 V CA -0.565 61.748 62.300 0.022 0.000 1.138 2245 V CB 0.046 31.859 31.823 -0.017 0.000 0.940 2245 V HN 0.485 nan 8.190 nan 0.000 0.489 2246 I N 6.011 126.603 120.570 0.037 0.000 2.664 2246 I HA 0.054 4.224 4.170 0.000 0.000 0.284 2246 I C 0.971 177.097 176.117 0.015 0.000 1.154 2246 I CA 0.395 61.713 61.300 0.029 0.000 1.402 2246 I CB 0.490 38.511 38.000 0.035 0.000 1.395 2246 I HN 0.768 nan 8.210 nan 0.000 0.545 2247 M N 4.416 124.021 119.600 0.009 0.000 2.382 2247 M HA 0.106 4.586 4.480 0.000 0.000 0.247 2247 M C -0.182 176.118 176.300 0.001 0.000 1.104 2247 M CA 0.395 55.696 55.300 0.000 0.000 1.030 2247 M CB -0.509 32.087 32.600 -0.006 0.000 1.424 2247 M HN 0.646 nan 8.290 nan 0.000 0.486 2266 Q N 0.313 120.127 119.800 0.023 0.000 2.403 2266 Q HA 0.330 4.670 4.340 0.000 0.000 0.203 2266 Q C 0.856 176.866 176.000 0.017 0.000 0.932 2266 Q CA 0.750 56.563 55.803 0.016 0.000 0.945 2266 Q CB 1.351 30.098 28.738 0.015 0.000 1.045 2266 Q HN 0.385 nan 8.270 nan 0.000 0.511 2267 A N -0.409 122.426 122.820 0.025 0.000 2.340 2267 A HA 0.509 4.829 4.320 0.000 0.000 0.213 2267 A C 1.857 179.463 177.584 0.037 0.000 1.299 2267 A CA 0.459 52.515 52.037 0.033 0.000 0.994 2267 A CB -0.008 19.015 19.000 0.038 0.000 1.132 2267 A HN 0.262 nan 8.150 nan 0.000 0.519 2268 A N 0.676 123.516 122.820 0.034 0.000 2.015 2268 A HA -0.118 4.202 4.320 0.000 0.000 0.219 2268 A C 2.103 179.704 177.584 0.029 0.000 1.163 2268 A CA 1.773 53.831 52.037 0.036 0.000 0.646 2268 A CB -0.326 18.696 19.000 0.037 0.000 0.806 2268 A HN 0.561 nan 8.150 nan 0.000 0.448 2269 Q N 0.533 120.346 119.800 0.022 0.000 2.123 2269 Q HA -0.106 4.234 4.340 0.000 0.000 0.199 2269 Q C 1.823 177.833 176.000 0.016 0.000 0.966 2269 Q CA 1.821 57.633 55.803 0.015 0.000 0.845 2269 Q CB -0.653 28.090 28.738 0.007 0.000 0.907 2269 Q HN 0.668 nan 8.270 nan 0.000 0.439 2270 K N 0.720 121.130 120.400 0.016 0.000 2.002 2270 K HA -0.054 4.266 4.320 0.000 0.000 0.209 2270 K C 2.290 178.927 176.600 0.063 0.000 1.048 2270 K CA 1.054 57.348 56.287 0.012 0.000 0.930 2270 K CB -0.195 32.311 32.500 0.010 0.000 0.714 2270 K HN 0.273 nan 8.250 nan 0.000 0.438 2271 L N 1.189 122.455 121.223 0.072 0.000 2.079 2271 L HA -0.228 4.112 4.340 0.000 0.000 0.210 2271 L C 2.071 178.971 176.870 0.051 0.000 1.081 2271 L CA 1.669 56.554 54.840 0.075 0.000 0.752 2271 L CB -0.246 41.834 42.059 0.035 0.000 0.896 2271 L HN 0.355 nan 8.230 nan 0.000 0.433 2272 E N -0.503 119.718 120.200 0.034 0.000 2.051 2272 E HA -0.292 4.058 4.350 0.000 0.000 0.192 2272 E C 2.098 178.714 176.600 0.028 0.000 0.991 2272 E CA 1.592 58.003 56.400 0.018 0.000 0.799 2272 E CB -0.101 29.607 29.700 0.013 0.000 0.748 2272 E HN 0.688 nan 8.360 nan 0.000 0.449 2273 Q N 0.092 119.918 119.800 0.045 0.000 2.167 2273 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 2273 Q C 2.027 178.095 176.000 0.113 0.000 0.970 2273 Q CA 1.050 56.883 55.803 0.050 0.000 0.855 2273 Q CB -0.362 28.390 28.738 0.024 0.000 0.911 2273 Q HN 0.229 nan 8.270 nan 0.000 0.438 2274 F N 2.022 121.938 119.950 -0.056 0.000 2.146 2274 F HA -0.066 4.461 4.527 0.000 0.000 0.298 2274 F C 1.993 177.766 175.800 -0.045 0.000 1.096 2274 F CA 0.536 58.508 58.000 -0.046 0.000 1.275 2274 F CB -0.298 38.684 39.000 -0.029 0.000 1.008 2274 F HN -0.132 nan 8.300 nan 0.000 0.480 2275 V N -0.599 119.235 119.914 -0.133 0.000 2.490 2275 V HA -0.262 3.858 4.120 0.000 0.000 0.250 2275 V C 2.506 178.555 176.094 -0.075 0.000 1.061 2275 V CA 1.992 64.188 62.300 -0.172 0.000 1.064 2275 V CB -0.896 30.869 31.823 -0.096 0.000 0.670 2275 V HN 0.325 nan 8.190 nan 0.000 0.461 2276 S N -0.172 115.508 115.700 -0.032 0.000 2.368 2276 S HA -0.148 4.322 4.470 0.000 0.000 0.224 2276 S C 1.868 176.464 174.600 -0.007 0.000 1.029 2276 S CA 1.358 59.552 58.200 -0.010 0.000 0.988 2276 S CB -0.332 62.870 63.200 0.003 0.000 0.838 2276 S HN 0.367 nan 8.310 nan 0.000 0.462 2277 L N 1.338 122.559 121.223 -0.002 0.000 1.970 2277 L HA -0.076 4.264 4.340 0.000 0.000 0.212 2277 L C 2.037 178.894 176.870 -0.022 0.000 1.071 2277 L CA 1.347 56.195 54.840 0.014 0.000 0.751 2277 L CB -0.729 41.382 42.059 0.087 0.000 0.889 2277 L HN 0.233 nan 8.230 nan 0.000 0.432 2278 L N -1.054 120.104 121.223 -0.107 0.000 2.263 2278 L HA -0.260 4.080 4.340 0.000 0.000 0.216 2278 L C 2.380 179.252 176.870 0.002 0.000 1.111 2278 L CA 1.538 56.317 54.840 -0.102 0.000 0.773 2278 L CB -0.865 41.101 42.059 -0.155 0.000 0.906 2278 L HN 0.313 nan 8.230 nan 0.000 0.439 2279 M N -1.248 118.370 119.600 0.030 0.000 2.108 2279 M HA -0.187 4.293 4.480 0.000 0.000 0.261 2279 M C 2.292 178.607 176.300 0.025 0.000 1.066 2279 M CA 1.878 57.208 55.300 0.050 0.000 1.107 2279 M CB -1.406 31.211 32.600 0.029 0.000 1.356 2279 M HN 0.329 nan 8.290 nan 0.000 0.406 2280 A N -0.943 121.882 122.820 0.009 0.000 2.172 2280 A HA -0.037 4.283 4.320 0.000 0.000 0.216 2280 A C 2.241 179.821 177.584 -0.006 0.000 1.154 2280 A CA 1.513 53.553 52.037 0.005 0.000 0.701 2280 A CB -0.512 18.492 19.000 0.007 0.000 0.789 2280 A HN 0.494 nan 8.150 nan 0.000 0.465 2281 S N -0.629 115.057 115.700 -0.023 0.000 2.556 2281 S HA 0.284 4.754 4.470 0.000 0.000 0.216 2281 S C 0.456 175.013 174.600 -0.072 0.000 0.970 2281 S CA -0.307 57.863 58.200 -0.050 0.000 0.912 2281 S CB -0.155 62.998 63.200 -0.078 0.000 0.790 2281 S HN 0.490 nan 8.310 nan 0.000 0.504 2282 I N 4.300 124.846 120.570 -0.040 0.000 2.396 2282 I HA 0.165 4.335 4.170 0.000 0.000 0.289 2282 I C -2.037 174.076 176.117 -0.005 0.000 1.056 2282 I CA -2.298 58.990 61.300 -0.019 0.000 1.365 2282 I CB 0.567 38.606 38.000 0.065 0.000 1.407 2282 I HN -0.020 nan 8.210 nan 0.000 0.509 2283 P HA -0.003 nan 4.420 nan 0.000 0.268 2283 P C 0.057 177.362 177.300 0.008 0.000 1.189 2283 P CA 0.159 63.257 63.100 -0.003 0.000 0.771 2283 P CB 0.421 32.118 31.700 -0.005 0.000 0.822 2284 V N 0.000 119.918 119.914 0.007 0.000 2.409 2284 V HA 0.000 4.120 4.120 0.000 0.000 0.244 2284 V CA 0.000 62.306 62.300 0.010 0.000 1.235 2284 V CB 0.000 31.831 31.823 0.013 0.000 1.184 2284 V HN 0.000 nan 8.190 nan 0.000 0.556