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_C 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 XGKQAAQKLE 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 0.000 174.993 175.510 -0.862 0.000 1.280 2003 N CA 0.000 52.732 53.050 -0.530 0.000 0.885 2003 N CB 0.000 38.277 38.487 -0.350 0.000 1.341 2004 G N -1.063 106.630 108.800 -1.846 0.000 2.880 2004 G HA2 0.155 4.115 3.960 0.000 0.000 0.209 2004 G HA3 0.155 4.115 3.960 0.000 0.000 0.209 2004 G C -0.611 173.740 174.900 -0.916 0.000 1.157 2004 G CA 0.469 44.516 45.100 -1.754 0.000 0.779 2004 G HN 0.229 nan 8.290 nan 0.000 0.539 2005 Y N 0.703 120.740 120.300 -0.438 0.000 2.429 2005 Y HA 0.488 5.038 4.550 0.000 0.000 0.342 2005 Y C 0.719 176.609 175.900 -0.018 0.000 1.004 2005 Y CA -1.260 56.721 58.100 -0.198 0.000 1.075 2005 Y CB 1.668 39.955 38.460 -0.287 0.000 1.214 2005 Y HN -0.009 nan 8.280 nan 0.000 0.455 2006 T N -1.575 113.095 114.554 0.194 0.000 2.918 2006 T HA 0.109 4.459 4.350 0.000 0.000 0.283 2006 T C 0.797 175.743 174.700 0.410 0.000 1.001 2006 T CA -0.446 61.796 62.100 0.238 0.000 1.041 2006 T CB 0.680 69.633 68.868 0.142 0.000 1.028 2006 T HN 0.663 nan 8.240 nan 0.000 0.511 2007 Y N 1.322 121.806 120.300 0.305 0.000 2.139 2007 Y HA -0.186 4.364 4.550 0.000 0.000 0.282 2007 Y C 2.376 178.458 175.900 0.304 0.000 1.179 2007 Y CA 2.205 60.507 58.100 0.338 0.000 1.161 2007 Y CB -0.444 38.051 38.460 0.059 0.000 0.970 2007 Y HN 0.881 nan 8.280 nan 0.000 0.511 2008 E N -0.530 119.791 120.200 0.202 0.000 2.204 2008 E HA -0.212 4.138 4.350 0.000 0.000 0.195 2008 E C 1.740 178.369 176.600 0.048 0.000 0.990 2008 E CA 1.014 57.458 56.400 0.074 0.000 0.821 2008 E CB -0.136 29.626 29.700 0.103 0.000 0.750 2008 E HN 0.569 nan 8.360 nan 0.000 0.477 2009 D N 0.056 120.498 120.400 0.070 0.000 2.117 2009 D HA -0.162 4.478 4.640 0.000 0.000 0.197 2009 D C 1.689 177.988 176.300 -0.001 0.000 0.987 2009 D CA 1.182 55.182 54.000 0.000 0.000 0.829 2009 D CB -0.204 40.574 40.800 -0.037 0.000 0.961 2009 D HN 0.304 nan 8.370 nan 0.000 0.460 2010 Y N 1.424 121.742 120.300 0.030 0.000 2.200 2010 Y HA -0.113 4.437 4.550 0.000 0.000 0.290 2010 Y C 2.709 178.546 175.900 -0.104 0.000 1.137 2010 Y CA 0.890 58.956 58.100 -0.058 0.000 1.163 2010 Y CB -0.390 38.029 38.460 -0.069 0.000 0.988 2010 Y HN -0.015 nan 8.280 nan 0.000 0.518 2011 Q N 0.193 119.973 119.800 -0.035 0.000 2.030 2011 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 2011 Q C 1.696 177.721 176.000 0.041 0.000 0.986 2011 Q CA 1.687 57.453 55.803 -0.061 0.000 0.843 2011 Q CB -0.275 28.389 28.738 -0.123 0.000 0.904 2011 Q HN 0.463 nan 8.270 nan 0.000 0.420 2012 D N -0.022 120.411 120.400 0.055 0.000 2.106 2012 D HA -0.147 4.493 4.640 0.000 0.000 0.191 2012 D C 1.945 178.327 176.300 0.136 0.000 0.997 2012 D CA 1.694 55.747 54.000 0.089 0.000 0.834 2012 D CB -0.507 40.331 40.800 0.063 0.000 0.956 2012 D HN 0.189 nan 8.370 nan 0.000 0.448 2013 T N 0.614 115.249 114.554 0.135 0.000 2.708 2013 T HA -0.128 4.222 4.350 0.000 0.000 0.266 2013 T C 1.986 176.821 174.700 0.225 0.000 1.037 2013 T CA 1.676 63.887 62.100 0.185 0.000 1.146 2013 T CB -0.357 68.694 68.868 0.306 0.000 0.865 2013 T HN 0.226 nan 8.240 nan 0.000 0.435 2014 A N 1.935 124.858 122.820 0.172 0.000 1.877 2014 A HA -0.137 4.183 4.320 0.000 0.000 0.216 2014 A C 2.268 179.955 177.584 0.171 0.000 1.186 2014 A CA 1.375 53.514 52.037 0.171 0.000 0.620 2014 A CB -0.334 18.736 19.000 0.117 0.000 0.822 2014 A HN 0.233 nan 8.150 nan 0.000 0.443 2015 K N -1.150 119.340 120.400 0.150 0.000 2.063 2015 K HA -0.198 4.122 4.320 0.000 0.000 0.208 2015 K C 1.601 178.309 176.600 0.179 0.000 1.048 2015 K CA 1.368 57.736 56.287 0.134 0.000 0.928 2015 K CB -0.869 31.699 32.500 0.113 0.000 0.713 2015 K HN 0.793 nan 8.250 nan 0.000 0.442 2016 W N 1.515 122.828 121.300 0.022 0.000 2.374 2016 W HA -0.098 4.562 4.660 0.000 0.000 0.288 2016 W C 1.606 178.099 176.519 -0.044 0.000 1.218 2016 W CA 1.099 58.443 57.345 -0.000 0.000 1.245 2016 W CB -0.035 29.369 29.460 -0.093 0.000 1.126 2016 W HN -0.040 nan 8.180 nan 0.000 0.545 2017 L N -0.190 121.195 121.223 0.271 0.000 2.044 2017 L HA -0.178 4.162 4.340 0.000 0.000 0.205 2017 L C 2.407 179.226 176.870 -0.085 0.000 1.075 2017 L CA 0.984 55.851 54.840 0.044 0.000 0.747 2017 L CB -1.014 41.186 42.059 0.234 0.000 0.903 2017 L HN -0.039 nan 8.230 nan 0.000 0.435 2018 L N -0.280 120.950 121.223 0.011 0.000 2.353 2018 L HA -0.169 4.171 4.340 0.000 0.000 0.220 2018 L C 2.513 179.341 176.870 -0.070 0.000 1.133 2018 L CA 1.263 56.089 54.840 -0.024 0.000 0.798 2018 L CB -0.413 41.663 42.059 0.028 0.000 0.922 2018 L HN 0.388 nan 8.230 nan 0.000 0.445 2019 S N -2.759 112.890 115.700 -0.085 0.000 2.511 2019 S HA -0.031 4.439 4.470 0.000 0.000 0.214 2019 S C 1.348 175.765 174.600 -0.305 0.000 0.997 2019 S CA -0.142 57.968 58.200 -0.150 0.000 0.908 2019 S CB -0.090 63.039 63.200 -0.118 0.000 0.803 2019 S HN 0.431 nan 8.310 nan 0.000 0.504 2020 H N 0.848 119.659 119.070 -0.431 0.000 2.586 2020 H HA 0.480 5.036 4.556 0.000 0.000 0.273 2020 H C 0.017 175.287 175.328 -0.096 0.000 0.997 2020 H CA 0.491 56.306 56.048 -0.389 0.000 1.177 2020 H CB 0.876 30.145 29.762 -0.821 0.000 1.471 2020 H HN 0.394 nan 8.280 nan 0.000 0.538 2021 T N -1.026 113.475 114.554 -0.089 0.000 3.047 2021 T HA 0.133 4.483 4.350 0.000 0.000 0.340 2021 T C 0.020 174.636 174.700 -0.141 0.000 1.421 2021 T CA -0.577 61.459 62.100 -0.107 0.000 1.090 2021 T CB 1.242 69.981 68.868 -0.215 0.000 1.292 2021 T HN 0.255 nan 8.240 nan 0.000 0.480 2022 E N 1.507 121.646 120.200 -0.102 0.000 2.474 2022 E HA 0.112 4.462 4.350 0.000 0.000 0.194 2022 E C 0.440 177.008 176.600 -0.054 0.000 1.041 2022 E CA -0.009 56.348 56.400 -0.071 0.000 0.874 2022 E CB 0.365 30.034 29.700 -0.052 0.000 0.914 2022 E HN 0.556 nan 8.360 nan 0.000 0.498 2023 Q N 1.187 120.945 119.800 -0.071 0.000 2.395 2023 Q HA 0.115 4.455 4.340 0.000 0.000 0.271 2023 Q C 0.034 176.054 176.000 0.033 0.000 1.026 2023 Q CA 0.530 56.332 55.803 -0.001 0.000 0.900 2023 Q CB 0.620 29.391 28.738 0.054 0.000 1.266 2023 Q HN -0.054 nan 8.270 nan 0.000 0.430 2024 R N 2.860 123.413 120.500 0.088 0.000 2.629 2024 R HA 0.283 4.623 4.340 0.000 0.000 0.275 2024 R C -2.518 173.855 176.300 0.122 0.000 1.719 2024 R CA -1.768 54.396 56.100 0.106 0.000 1.472 2024 R CB 0.723 31.059 30.300 0.061 0.000 1.237 2024 R HN 0.557 nan 8.270 nan 0.000 0.589 2025 P HA -0.034 nan 4.420 nan 0.000 0.264 2025 P C -0.009 177.320 177.300 0.049 0.000 1.179 2025 P CA 0.109 63.270 63.100 0.101 0.000 0.763 2025 P CB 1.160 32.908 31.700 0.080 0.000 0.806 2026 Q N 1.229 121.039 119.800 0.016 0.000 2.378 2026 Q HA 0.196 4.536 4.340 0.000 0.000 0.229 2026 Q C 0.045 176.035 176.000 -0.016 0.000 0.882 2026 Q CA 0.659 56.467 55.803 0.009 0.000 0.936 2026 Q CB 0.517 29.259 28.738 0.008 0.000 1.092 2026 Q HN 0.320 nan 8.270 nan 0.000 0.535 2027 V N 0.337 120.223 119.914 -0.047 0.000 2.789 2027 V HA 0.863 4.983 4.120 0.000 0.000 0.311 2027 V C -0.953 175.039 176.094 -0.170 0.000 1.073 2027 V CA -1.034 61.221 62.300 -0.076 0.000 0.921 2027 V CB 1.733 33.525 31.823 -0.052 0.000 1.009 2027 V HN 0.088 nan 8.190 nan 0.000 0.426 2028 A N 3.504 126.196 122.820 -0.213 0.000 2.350 2028 A HA 0.939 5.259 4.320 0.000 0.000 0.324 2028 A C -1.052 176.395 177.584 -0.228 0.000 1.118 2028 A CA -0.623 51.168 52.037 -0.410 0.000 0.783 2028 A CB 1.806 20.398 19.000 -0.680 0.000 1.236 2028 A HN 0.743 nan 8.150 nan 0.000 0.457 2029 V N 3.003 122.782 119.914 -0.225 0.000 2.531 2029 V HA 0.376 4.496 4.120 0.000 0.000 0.301 2029 V C -0.618 175.423 176.094 -0.089 0.000 1.034 2029 V CA -0.154 62.073 62.300 -0.122 0.000 0.865 2029 V CB 1.606 33.376 31.823 -0.089 0.000 0.995 2029 V HN 0.752 nan 8.190 nan 0.000 0.424 2030 I N 3.913 124.439 120.570 -0.074 0.000 2.306 2030 I HA 0.305 4.475 4.170 0.000 0.000 0.288 2030 I C -0.091 175.971 176.117 -0.091 0.000 1.036 2030 I CA -0.161 61.108 61.300 -0.052 0.000 1.221 2030 I CB 1.026 38.993 38.000 -0.054 0.000 1.385 2030 I HN 0.538 nan 8.210 nan 0.000 0.472 2031 C N 6.062 125.330 119.300 -0.054 0.000 2.566 2031 C HA 0.367 4.827 4.460 0.000 0.000 0.393 2031 C C 1.510 176.480 174.990 -0.033 0.000 1.309 2031 C CA -0.629 58.362 59.018 -0.044 0.000 1.801 2031 C CB -0.633 27.103 27.740 -0.007 0.000 2.493 2031 C HN 0.946 nan 8.230 nan 0.000 0.575 2032 G N 2.577 111.349 108.800 -0.045 0.000 2.518 2032 G HA2 0.212 4.172 3.960 0.000 0.000 0.284 2032 G HA3 0.212 4.172 3.960 0.000 0.000 0.284 2032 G C 0.247 175.182 174.900 0.059 0.000 1.362 2032 G CA -0.258 44.841 45.100 -0.002 0.000 1.065 2032 G HN 0.781 nan 8.290 nan 0.000 0.561 2033 S N -0.740 115.021 115.700 0.102 0.000 2.498 2033 S HA 0.401 4.871 4.470 0.000 0.000 0.281 2033 S C 1.497 176.159 174.600 0.104 0.000 1.265 2033 S CA 0.950 59.226 58.200 0.126 0.000 1.071 2033 S CB -0.235 63.056 63.200 0.152 0.000 0.894 2033 S HN 2.114 nan 8.310 nan 0.000 0.491 2034 G N 4.048 112.906 108.800 0.097 0.000 2.187 2034 G HA2 -0.191 3.769 3.960 0.000 0.000 0.261 2034 G HA3 -0.191 3.769 3.960 0.000 0.000 0.261 2034 G C 0.325 175.271 174.900 0.077 0.000 1.000 2034 G CA 0.443 45.593 45.100 0.083 0.000 0.718 2034 G HN 0.667 nan 8.290 nan 0.000 0.519 2035 L N 0.461 121.730 121.223 0.076 0.000 2.769 2035 L HA 0.368 4.708 4.340 0.000 0.000 0.240 2035 L C 2.345 179.252 176.870 0.062 0.000 1.163 2035 L CA 0.759 55.648 54.840 0.081 0.000 0.962 2035 L CB -0.388 41.725 42.059 0.090 0.000 1.258 2035 L HN 0.250 nan 8.230 nan 0.000 0.513 2036 G N -0.229 108.601 108.800 0.049 0.000 2.848 2036 G HA2 -0.014 3.946 3.960 0.000 0.000 0.208 2036 G HA3 -0.014 3.946 3.960 0.000 0.000 0.208 2036 G C 1.444 176.361 174.900 0.028 0.000 1.152 2036 G CA 0.584 45.703 45.100 0.032 0.000 0.789 2036 G HN 0.458 nan 8.290 nan 0.000 0.531 2037 G N 0.880 109.702 108.800 0.038 0.000 2.471 2037 G HA2 -0.138 3.822 3.960 0.000 0.000 0.219 2037 G HA3 -0.138 3.822 3.960 0.000 0.000 0.219 2037 G C 1.561 176.480 174.900 0.032 0.000 1.125 2037 G CA 0.652 45.771 45.100 0.032 0.000 0.775 2037 G HN 0.438 nan 8.290 nan 0.000 0.548 2038 L N 0.883 122.131 121.223 0.042 0.000 2.447 2038 L HA 0.029 4.369 4.340 0.000 0.000 0.225 2038 L C 2.586 179.469 176.870 0.021 0.000 1.148 2038 L CA 0.883 55.747 54.840 0.041 0.000 0.808 2038 L CB -0.095 41.997 42.059 0.055 0.000 0.928 2038 L HN 0.050 nan 8.230 nan 0.000 0.448 2039 V N -0.138 119.783 119.914 0.011 0.000 2.594 2039 V HA -0.192 3.928 4.120 0.000 0.000 0.253 2039 V C 1.314 177.409 176.094 0.002 0.000 1.069 2039 V CA 0.898 63.197 62.300 -0.001 0.000 1.082 2039 V CB -0.799 31.019 31.823 -0.010 0.000 0.680 2039 V HN 0.522 nan 8.190 nan 0.000 0.469 2040 N N 0.103 118.807 118.700 0.007 0.000 2.381 2040 N HA 0.196 4.936 4.740 0.000 0.000 0.254 2040 N C 0.776 176.293 175.510 0.013 0.000 1.264 2040 N CA -0.030 53.024 53.050 0.007 0.000 0.942 2040 N CB 0.876 39.369 38.487 0.009 0.000 1.190 2040 N HN 0.201 nan 8.380 nan 0.000 0.495 2041 K N -1.629 118.779 120.400 0.012 0.000 3.448 2041 K HA -0.191 4.129 4.320 0.000 0.000 0.292 2041 K C -0.366 176.241 176.600 0.012 0.000 0.847 2041 K CA 0.540 56.836 56.287 0.015 0.000 1.278 2041 K CB -1.011 31.503 32.500 0.024 0.000 1.266 2041 K HN 0.267 nan 8.250 nan 0.000 0.523 2042 L N 3.056 124.284 121.223 0.009 0.000 2.367 2042 L HA 0.157 4.497 4.340 0.000 0.000 0.275 2042 L C 0.704 177.579 176.870 0.008 0.000 1.129 2042 L CA 0.962 55.806 54.840 0.008 0.000 0.839 2042 L CB 1.012 43.074 42.059 0.004 0.000 1.133 2042 L HN 0.273 nan 8.230 nan 0.000 0.453 2043 T N 0.805 115.365 114.554 0.010 0.000 2.925 2043 T HA 0.460 4.810 4.350 0.000 0.000 0.285 2043 T C -0.016 174.691 174.700 0.012 0.000 1.021 2043 T CA -0.684 61.421 62.100 0.008 0.000 1.042 2043 T CB 1.291 70.163 68.868 0.007 0.000 1.037 2043 T HN 0.552 nan 8.240 nan 0.000 0.481 2044 Q N -0.476 119.328 119.800 0.006 0.000 2.468 2044 Q HA -0.164 4.176 4.340 0.000 0.000 0.289 2044 Q C 0.198 176.206 176.000 0.014 0.000 1.299 2044 Q CA 0.359 56.166 55.803 0.006 0.000 0.838 2044 Q CB -1.990 26.754 28.738 0.010 0.000 1.195 2044 Q HN 1.095 nan 8.270 nan 0.000 0.456 2045 A N 0.914 123.738 122.820 0.007 0.000 2.425 2045 A HA 0.382 4.702 4.320 0.000 0.000 0.249 2045 A C 0.126 177.701 177.584 -0.016 0.000 1.084 2045 A CA 0.269 52.313 52.037 0.012 0.000 0.781 2045 A CB 0.752 19.750 19.000 -0.002 0.000 1.019 2045 A HN 0.371 nan 8.150 nan 0.000 0.490 2046 Q N 0.849 120.644 119.800 -0.009 0.000 2.274 2046 Q HA 0.445 4.785 4.340 0.000 0.000 0.268 2046 Q C -1.149 174.727 176.000 -0.207 0.000 1.015 2046 Q CA -0.343 55.379 55.803 -0.135 0.000 0.775 2046 Q CB 1.811 30.460 28.738 -0.148 0.000 1.256 2046 Q HN 0.780 nan 8.270 nan 0.000 0.442 2047 T N 2.839 117.196 114.554 -0.329 0.000 2.925 2047 T HA 0.674 5.024 4.350 0.000 0.000 0.285 2047 T C -1.098 173.298 174.700 -0.507 0.000 1.021 2047 T CA -0.224 61.709 62.100 -0.279 0.000 1.042 2047 T CB 0.535 69.330 68.868 -0.122 0.000 1.037 2047 T HN 0.330 nan 8.240 nan 0.000 0.481 2048 F N 1.080 121.113 119.950 0.139 0.000 2.607 2048 F HA 0.289 4.816 4.527 0.000 0.000 0.322 2048 F C -0.054 175.778 175.800 0.054 0.000 1.176 2048 F CA -1.269 56.821 58.000 0.150 0.000 0.977 2048 F CB 1.345 40.501 39.000 0.261 0.000 1.242 2048 F HN 0.399 nan 8.300 nan 0.000 0.465 2049 D N 2.259 122.780 120.400 0.202 0.000 2.414 2049 D HA -0.007 4.633 4.640 0.000 0.000 0.242 2049 D C 0.969 177.347 176.300 0.131 0.000 1.129 2049 D CA 0.174 54.215 54.000 0.067 0.000 0.885 2049 D CB 0.854 41.695 40.800 0.068 0.000 1.198 2049 D HN 0.403 nan 8.370 nan 0.000 0.437 2050 Y N 1.313 121.640 120.300 0.044 0.000 2.114 2050 Y HA -0.277 4.273 4.550 0.000 0.000 0.282 2050 Y C 2.701 178.620 175.900 0.032 0.000 1.165 2050 Y CA 1.201 59.312 58.100 0.018 0.000 1.148 2050 Y CB -1.334 37.332 38.460 0.344 0.000 0.972 2050 Y HN 0.409 nan 8.280 nan 0.000 0.504 2051 S N 0.440 116.286 115.700 0.243 0.000 2.392 2051 S HA -0.294 4.176 4.470 0.000 0.000 0.232 2051 S C 1.643 176.266 174.600 0.038 0.000 1.041 2051 S CA 1.677 59.958 58.200 0.136 0.000 1.026 2051 S CB -0.750 62.520 63.200 0.117 0.000 0.845 2051 S HN 0.789 nan 8.310 nan 0.000 0.465 2052 E N 1.000 121.208 120.200 0.014 0.000 2.385 2052 E HA 0.155 4.505 4.350 0.000 0.000 0.194 2052 E C 0.450 176.827 176.600 -0.372 0.000 1.013 2052 E CA -0.080 56.277 56.400 -0.072 0.000 0.866 2052 E CB -0.374 29.371 29.700 0.075 0.000 0.832 2052 E HN 0.595 nan 8.360 nan 0.000 0.500 2053 I N 3.106 123.423 120.570 -0.423 0.000 2.588 2053 I HA 0.148 4.318 4.170 0.000 0.000 0.283 2053 I C -2.150 173.661 176.117 -0.510 0.000 1.119 2053 I CA -2.375 58.458 61.300 -0.778 0.000 1.419 2053 I CB 0.344 37.971 38.000 -0.621 0.000 1.394 2053 I HN -0.140 nan 8.210 nan 0.000 0.562 2054 P HA 0.116 nan 4.420 nan 0.000 0.267 2054 P C -0.142 177.060 177.300 -0.162 0.000 1.205 2054 P CA 0.228 63.105 63.100 -0.371 0.000 0.765 2054 P CB 0.371 31.822 31.700 -0.415 0.000 0.828 2055 N N -0.451 118.147 118.700 -0.171 0.000 2.967 2055 N HA -0.212 4.528 4.740 0.000 0.000 0.218 2055 N C -0.072 175.151 175.510 -0.477 0.000 0.870 2055 N CA 0.909 53.785 53.050 -0.290 0.000 1.030 2055 N CB -1.935 36.292 38.487 -0.432 0.000 1.027 2055 N HN 0.351 nan 8.380 nan 0.000 0.603 2056 F N 2.806 122.527 119.950 -0.381 0.000 2.529 2056 F HA 0.207 4.734 4.527 0.000 0.000 0.365 2056 F C -1.403 174.200 175.800 -0.328 0.000 1.102 2056 F CA -1.010 56.810 58.000 -0.300 0.000 1.271 2056 F CB 0.350 39.295 39.000 -0.091 0.000 1.120 2056 F HN -0.115 nan 8.300 nan 0.000 0.579 2057 P HA 0.115 nan 4.420 nan 0.000 0.271 2057 P C -1.317 175.830 177.300 -0.256 0.000 1.218 2057 P CA -0.178 62.548 63.100 -0.624 0.000 0.780 2057 P CB 0.562 31.351 31.700 -1.518 0.000 0.901 2058 E N 0.447 120.653 120.200 0.010 0.000 2.195 2058 E HA 0.321 4.671 4.350 0.000 0.000 0.271 2058 E C -0.374 176.498 176.600 0.454 0.000 0.923 2058 E CA -0.733 55.840 56.400 0.289 0.000 0.790 2058 E CB 1.158 30.974 29.700 0.192 0.000 1.155 2058 E HN 0.339 nan 8.360 nan 0.000 0.402 2059 S N 1.163 117.216 115.700 0.588 0.000 2.558 2059 S HA -0.049 4.421 4.470 0.000 0.000 0.288 2059 S C 1.416 176.235 174.600 0.364 0.000 1.318 2059 S CA 0.036 58.570 58.200 0.558 0.000 1.056 2059 S CB 0.798 64.261 63.200 0.438 0.000 0.853 2059 S HN 0.742 nan 8.310 nan 0.000 0.505 2060 T N -0.508 114.250 114.554 0.341 0.000 2.781 2060 T HA -0.022 4.328 4.350 0.000 0.000 0.252 2060 T C 0.787 175.548 174.700 0.102 0.000 1.039 2060 T CA 0.337 62.530 62.100 0.154 0.000 1.147 2060 T CB -0.747 68.157 68.868 0.059 0.000 0.865 2060 T HN 0.363 nan 8.240 nan 0.000 0.423 2061 V N 4.409 124.360 119.914 0.061 0.000 2.536 2061 V HA 0.130 4.250 4.120 0.000 0.000 0.287 2061 V C -2.286 173.862 176.094 0.090 0.000 0.979 2061 V CA -1.265 60.989 62.300 -0.077 0.000 1.161 2061 V CB -1.117 30.401 31.823 -0.508 0.000 0.915 2061 V HN 0.386 nan 8.190 nan 0.000 0.467 2062 P HA 0.200 nan 4.420 nan 0.000 0.261 2062 P C 1.010 178.475 177.300 0.275 0.000 1.183 2062 P CA 1.587 64.785 63.100 0.164 0.000 0.761 2062 P CB 0.519 32.280 31.700 0.102 0.000 0.785 2063 G N 2.559 111.480 108.800 0.202 0.000 2.137 2063 G HA2 -0.250 3.710 3.960 0.000 0.000 0.237 2063 G HA3 -0.250 3.710 3.960 0.000 0.000 0.237 2063 G C 0.253 175.176 174.900 0.039 0.000 1.002 2063 G CA -0.099 45.071 45.100 0.117 0.000 0.702 2063 G HN 0.666 nan 8.290 nan 0.000 0.515 2064 H N -1.034 118.072 119.070 0.060 0.000 2.575 2064 H HA 0.623 5.179 4.556 0.000 0.000 0.256 2064 H C 1.958 177.320 175.328 0.057 0.000 1.162 2064 H CA 0.668 56.752 56.048 0.060 0.000 0.969 2064 H CB 0.243 30.056 29.762 0.086 0.000 1.796 2064 H HN 0.663 nan 8.280 nan 0.000 0.607 2065 A N 1.232 124.131 122.820 0.131 0.000 2.262 2065 A HA -0.152 4.168 4.320 0.000 0.000 0.280 2065 A C 1.579 179.195 177.584 0.052 0.000 3.215 2065 A CA 2.124 54.212 52.037 0.086 0.000 1.023 2065 A CB -1.362 17.648 19.000 0.017 0.000 0.585 2065 A HN 1.199 nan 8.150 nan 0.000 0.462 2066 G N -2.304 106.421 108.800 -0.126 0.000 3.055 2066 G HA2 0.470 4.430 3.960 0.000 0.000 0.685 2066 G HA3 0.470 4.430 3.960 0.000 0.000 0.685 2066 G C -0.653 173.626 174.900 -1.035 0.000 1.212 2066 G CA 0.179 44.992 45.100 -0.477 0.000 0.822 2066 G HN 1.682 nan 8.290 nan 0.000 0.610 2067 R N 0.814 120.660 120.500 -1.089 0.000 2.740 2067 R HA 0.804 5.144 4.340 0.000 0.000 0.273 2067 R C -1.544 174.579 176.300 -0.294 0.000 0.998 2067 R CA -1.230 54.456 56.100 -0.691 0.000 0.900 2067 R CB 2.044 32.196 30.300 -0.246 0.000 1.223 2067 R HN 0.751 nan 8.270 nan 0.000 0.466 2068 L N 1.747 123.020 121.223 0.083 0.000 2.287 2068 L HA 0.449 4.789 4.340 0.000 0.000 0.287 2068 L C -1.209 175.757 176.870 0.160 0.000 1.022 2068 L CA -0.581 54.413 54.840 0.256 0.000 0.814 2068 L CB 1.930 44.211 42.059 0.369 0.000 1.217 2068 L HN 0.528 nan 8.230 nan 0.000 0.420 2069 V N 5.563 125.484 119.914 0.012 0.000 2.448 2069 V HA 0.461 4.581 4.120 0.000 0.000 0.295 2069 V C -0.501 175.551 176.094 -0.069 0.000 1.025 2069 V CA -0.526 61.787 62.300 0.021 0.000 0.859 2069 V CB 1.375 33.192 31.823 -0.011 0.000 0.988 2069 V HN 0.449 nan 8.190 nan 0.000 0.431 2070 F N 2.681 122.655 119.950 0.039 0.000 2.421 2070 F HA 0.882 5.409 4.527 0.000 0.000 0.337 2070 F C 0.851 176.652 175.800 0.001 0.000 1.105 2070 F CA -0.001 58.022 58.000 0.037 0.000 1.049 2070 F CB 2.022 41.076 39.000 0.089 0.000 1.139 2070 F HN 0.715 nan 8.300 nan 0.000 0.479 2071 G N 2.505 111.394 108.800 0.149 0.000 2.430 2071 G HA2 0.466 4.426 3.960 0.000 0.000 0.300 2071 G HA3 0.466 4.426 3.960 0.000 0.000 0.300 2071 G C -2.112 172.819 174.900 0.052 0.000 1.330 2071 G CA -0.868 44.282 45.100 0.084 0.000 0.813 2071 G HN 0.269 nan 8.290 nan 0.000 0.487 2072 I N 1.654 122.244 120.570 0.033 0.000 2.359 2072 I HA 0.390 4.560 4.170 0.000 0.000 0.294 2072 I C 1.012 177.136 176.117 0.012 0.000 0.987 2072 I CA -0.378 60.935 61.300 0.022 0.000 1.225 2072 I CB 1.231 39.242 38.000 0.019 0.000 1.366 2072 I HN 0.496 nan 8.210 nan 0.000 0.466 2073 L N 4.871 126.098 121.223 0.006 0.000 2.121 2073 L HA 0.090 4.430 4.340 0.000 0.000 0.200 2073 L C 0.642 177.517 176.870 0.008 0.000 1.132 2073 L CA 0.849 55.693 54.840 0.006 0.000 0.782 2073 L CB 0.212 42.272 42.059 0.002 0.000 0.940 2073 L HN 0.720 nan 8.230 nan 0.000 0.458 2074 N N -0.005 118.698 118.700 0.005 0.000 2.790 2074 N HA 0.225 4.965 4.740 0.000 0.000 0.256 2074 N C -0.135 175.377 175.510 0.002 0.000 1.409 2074 N CA 0.371 53.425 53.050 0.006 0.000 0.799 2074 N CB 0.722 39.213 38.487 0.007 0.000 1.170 2074 N HN 0.428 nan 8.380 nan 0.000 0.507 2075 G N 2.294 111.096 108.800 0.004 0.000 2.314 2075 G HA2 -0.271 3.689 3.960 0.000 0.000 0.292 2075 G HA3 -0.271 3.689 3.960 0.000 0.000 0.292 2075 G C -0.216 174.686 174.900 0.002 0.000 1.059 2075 G CA 0.531 45.633 45.100 0.004 0.000 0.982 2075 G HN 0.790 nan 8.290 nan 0.000 0.505 2076 R N -0.654 119.848 120.500 0.004 0.000 2.523 2076 R HA 0.630 4.970 4.340 0.000 0.000 0.278 2076 R C 0.034 176.338 176.300 0.007 0.000 1.150 2076 R CA 0.245 56.346 56.100 0.002 0.000 0.987 2076 R CB 0.631 30.927 30.300 -0.007 0.000 1.232 2076 R HN 1.182 nan 8.270 nan 0.000 0.424 2077 A N 3.538 126.368 122.820 0.016 0.000 2.491 2077 A HA 0.425 4.745 4.320 0.000 0.000 0.261 2077 A C -0.320 177.271 177.584 0.012 0.000 1.101 2077 A CA 0.040 52.096 52.037 0.032 0.000 0.772 2077 A CB -0.241 18.790 19.000 0.051 0.000 1.043 2077 A HN 0.763 nan 8.150 nan 0.000 0.501 2078 C N 1.218 120.518 119.300 -0.000 0.000 2.848 2078 C HA 0.762 5.222 4.460 0.000 0.000 0.317 2078 C C -0.024 174.877 174.990 -0.148 0.000 1.260 2078 C CA -0.567 58.406 59.018 -0.075 0.000 1.656 2078 C CB 1.702 29.395 27.740 -0.078 0.000 2.174 2078 C HN 0.810 nan 8.230 nan 0.000 0.479 2079 V N 3.709 123.423 119.914 -0.332 0.000 2.525 2079 V HA 0.660 4.780 4.120 0.000 0.000 0.299 2079 V C -0.887 174.900 176.094 -0.513 0.000 1.034 2079 V CA -0.196 61.726 62.300 -0.629 0.000 0.863 2079 V CB 1.360 32.617 31.823 -0.942 0.000 0.999 2079 V HN 0.921 nan 8.190 nan 0.000 0.423 2080 M N 6.934 126.328 119.600 -0.345 0.000 2.465 2080 M HA 0.586 5.066 4.480 0.000 0.000 0.316 2080 M C -0.754 175.520 176.300 -0.043 0.000 1.121 2080 M CA -0.527 54.665 55.300 -0.180 0.000 0.934 2080 M CB 2.481 35.020 32.600 -0.102 0.000 1.692 2080 M HN 0.438 nan 8.290 nan 0.000 0.444 2081 M N 2.281 121.910 119.600 0.048 0.000 2.113 2081 M HA 0.255 4.735 4.480 0.000 0.000 0.352 2081 M C -0.460 175.904 176.300 0.107 0.000 1.170 2081 M CA -0.238 55.184 55.300 0.205 0.000 1.053 2081 M CB 1.245 33.992 32.600 0.244 0.000 1.601 2081 M HN 0.568 nan 8.290 nan 0.000 0.459 2082 Q N 3.130 122.975 119.800 0.076 0.000 2.465 2082 Q HA 0.551 4.891 4.340 0.000 0.000 0.237 2082 Q C -0.414 175.578 176.000 -0.014 0.000 1.051 2082 Q CA -0.067 55.734 55.803 -0.005 0.000 0.874 2082 Q CB 0.928 29.630 28.738 -0.059 0.000 1.207 2082 Q HN 0.909 nan 8.270 nan 0.000 0.508 2083 G N 2.831 111.648 108.800 0.028 0.000 2.770 2083 G HA2 -0.072 3.888 3.960 0.000 0.000 0.686 2083 G HA3 -0.072 3.888 3.960 0.000 0.000 0.686 2083 G C -1.115 173.748 174.900 -0.061 0.000 1.180 2083 G CA -0.453 44.666 45.100 0.031 0.000 0.767 2083 G HN 0.777 nan 8.290 nan 0.000 0.646 2084 R N -0.257 120.112 120.500 -0.219 0.000 2.885 2084 R HA 0.909 5.249 4.340 0.000 0.000 0.260 2084 R C -1.100 174.746 176.300 -0.757 0.000 1.107 2084 R CA -1.196 54.543 56.100 -0.602 0.000 0.978 2084 R CB 0.933 30.983 30.300 -0.416 0.000 1.227 2084 R HN 0.445 nan 8.270 nan 0.000 0.473 2085 F N 0.144 119.868 119.950 -0.376 0.000 2.480 2085 F HA 0.514 5.041 4.527 0.000 0.000 0.329 2085 F C 0.279 175.773 175.800 -0.510 0.000 1.091 2085 F CA -0.562 57.128 58.000 -0.516 0.000 0.972 2085 F CB 1.555 39.959 39.000 -0.994 0.000 1.150 2085 F HN 0.234 nan 8.300 nan 0.000 0.467 2086 H N 3.445 122.503 119.070 -0.019 0.000 2.690 2086 H HA 0.238 4.794 4.556 0.000 0.000 0.368 2086 H C 0.895 176.140 175.328 -0.139 0.000 1.150 2086 H CA -0.666 55.246 56.048 -0.228 0.000 1.174 2086 H CB 2.584 31.776 29.762 -0.949 0.000 1.684 2086 H HN 0.819 nan 8.280 nan 0.000 0.538 2087 M N 2.683 122.292 119.600 0.015 0.000 2.149 2087 M HA -0.225 4.255 4.480 0.000 0.000 0.261 2087 M C 1.471 177.727 176.300 -0.073 0.000 1.064 2087 M CA 1.910 57.144 55.300 -0.110 0.000 1.102 2087 M CB -0.272 32.186 32.600 -0.237 0.000 1.369 2087 M HN 0.658 nan 8.290 nan 0.000 0.408 2088 Y N 0.102 120.466 120.300 0.106 0.000 2.497 2088 Y HA 0.068 4.618 4.550 0.000 0.000 0.292 2088 Y C 1.309 177.216 175.900 0.013 0.000 1.137 2088 Y CA 1.108 59.231 58.100 0.038 0.000 1.285 2088 Y CB -1.425 37.059 38.460 0.039 0.000 0.991 2088 Y HN 0.421 nan 8.280 nan 0.000 0.556 2089 E N 0.156 120.332 120.200 -0.040 0.000 2.481 2089 E HA 0.212 4.562 4.350 0.000 0.000 0.195 2089 E C 1.535 177.999 176.600 -0.226 0.000 1.047 2089 E CA 0.539 56.934 56.400 -0.007 0.000 0.867 2089 E CB -0.058 29.658 29.700 0.026 0.000 0.858 2089 E HN 0.729 nan 8.360 nan 0.000 0.513 2090 G N 0.321 108.989 108.800 -0.221 0.000 2.192 2090 G HA2 -0.222 3.738 3.960 0.000 0.000 0.193 2090 G HA3 -0.222 3.738 3.960 0.000 0.000 0.193 2090 G C -0.311 174.360 174.900 -0.382 0.000 0.999 2090 G CA -0.560 44.359 45.100 -0.302 0.000 0.659 2090 G HN 0.168 nan 8.290 nan 0.000 0.503 2091 Y N 2.294 122.449 120.300 -0.241 0.000 2.319 2091 Y HA 0.506 5.056 4.550 0.000 0.000 0.328 2091 Y C -1.420 174.215 175.900 -0.442 0.000 1.133 2091 Y CA -2.020 55.868 58.100 -0.354 0.000 1.265 2091 Y CB 0.773 39.042 38.460 -0.318 0.000 1.218 2091 Y HN 0.004 nan 8.280 nan 0.000 0.508 2092 P HA 0.071 nan 4.420 nan 0.000 0.276 2092 P C 0.200 177.252 177.300 -0.413 0.000 1.252 2092 P CA -0.267 62.528 63.100 -0.509 0.000 0.802 2092 P CB 0.807 32.100 31.700 -0.677 0.000 1.035 2093 F N 0.105 119.970 119.950 -0.142 0.000 2.269 2093 F HA -0.111 4.417 4.527 0.000 0.000 0.301 2093 F C 2.285 178.074 175.800 -0.017 0.000 1.082 2093 F CA 0.838 58.798 58.000 -0.067 0.000 1.360 2093 F CB -1.194 37.810 39.000 0.006 0.000 1.041 2093 F HN 0.498 nan 8.300 nan 0.000 0.512 2094 W N 0.294 121.693 121.300 0.165 0.000 2.465 2094 W HA -0.036 4.624 4.660 0.000 0.000 0.268 2094 W C 1.448 178.074 176.519 0.179 0.000 1.242 2094 W CA 0.684 58.121 57.345 0.154 0.000 1.248 2094 W CB -1.092 28.439 29.460 0.119 0.000 1.118 2094 W HN 0.088 nan 8.180 nan 0.000 0.587 2095 K N 0.843 121.055 120.400 -0.314 0.000 2.128 2095 K HA -0.016 4.304 4.320 0.000 0.000 0.202 2095 K C 2.217 178.652 176.600 -0.275 0.000 1.050 2095 K CA 0.859 56.952 56.287 -0.323 0.000 0.966 2095 K CB -0.199 31.890 32.500 -0.684 0.000 0.759 2095 K HN -0.108 nan 8.250 nan 0.000 0.454 2096 V N 1.771 121.556 119.914 -0.214 0.000 2.324 2096 V HA -0.249 3.871 4.120 0.000 0.000 0.250 2096 V C 2.237 178.305 176.094 -0.043 0.000 1.060 2096 V CA 2.441 64.674 62.300 -0.113 0.000 1.042 2096 V CB -0.696 31.171 31.823 0.074 0.000 0.650 2096 V HN 0.547 nan 8.190 nan 0.000 0.450 2097 T N -3.329 111.220 114.554 -0.007 0.000 3.144 2097 T HA 0.021 4.371 4.350 0.000 0.000 0.249 2097 T C 1.484 176.122 174.700 -0.104 0.000 1.089 2097 T CA 0.117 62.178 62.100 -0.064 0.000 0.989 2097 T CB -0.410 68.430 68.868 -0.046 0.000 0.992 2097 T HN 0.349 nan 8.240 nan 0.000 0.540 2098 F N 3.642 123.465 119.950 -0.212 0.000 2.126 2098 F HA 0.091 4.618 4.527 0.000 0.000 0.299 2098 F C -1.164 174.347 175.800 -0.481 0.000 1.096 2098 F CA 0.511 58.335 58.000 -0.293 0.000 1.255 2098 F CB -1.022 37.690 39.000 -0.481 0.000 0.997 2098 F HN 0.190 nan 8.300 nan 0.000 0.479 2099 P HA -0.145 nan 4.420 nan 0.000 0.218 2099 P C 2.039 178.501 177.300 -1.397 0.000 1.149 2099 P CA 1.565 64.012 63.100 -1.089 0.000 0.817 2099 P CB -0.032 31.228 31.700 -0.733 0.000 0.785 2100 V N -0.227 119.206 119.914 -0.802 0.000 2.343 2100 V HA -0.231 3.889 4.120 0.000 0.000 0.247 2100 V C 2.409 178.217 176.094 -0.478 0.000 1.051 2100 V CA 1.800 63.790 62.300 -0.517 0.000 1.036 2100 V CB -0.925 30.744 31.823 -0.257 0.000 0.654 2100 V HN 0.074 nan 8.190 nan 0.000 0.451 2101 R N -0.559 119.578 120.500 -0.605 0.000 2.090 2101 R HA -0.071 4.269 4.340 0.000 0.000 0.228 2101 R C 2.226 178.271 176.300 -0.425 0.000 1.110 2101 R CA 1.076 56.760 56.100 -0.694 0.000 0.973 2101 R CB -0.395 29.111 30.300 -1.324 0.000 0.869 2101 R HN 0.397 nan 8.270 nan 0.000 0.440 2102 V N 0.627 120.227 119.914 -0.523 0.000 2.343 2102 V HA -0.242 3.878 4.120 0.000 0.000 0.247 2102 V C 1.927 178.020 176.094 -0.001 0.000 1.051 2102 V CA 1.618 63.747 62.300 -0.285 0.000 1.036 2102 V CB -0.518 31.055 31.823 -0.416 0.000 0.654 2102 V HN 0.154 nan 8.190 nan 0.000 0.451 2103 F N 0.777 120.685 119.950 -0.071 0.000 2.134 2103 F HA -0.131 4.396 4.527 0.000 0.000 0.299 2103 F C 2.550 178.349 175.800 -0.001 0.000 1.097 2103 F CA 1.722 59.714 58.000 -0.013 0.000 1.264 2103 F CB -1.115 37.859 39.000 -0.044 0.000 1.001 2103 F HN 0.119 nan 8.300 nan 0.000 0.479 2104 R N 1.012 121.596 120.500 0.139 0.000 2.083 2104 R HA -0.123 4.217 4.340 0.000 0.000 0.237 2104 R C 2.039 178.416 176.300 0.129 0.000 1.137 2104 R CA 1.436 57.601 56.100 0.108 0.000 0.951 2104 R CB -0.919 29.422 30.300 0.070 0.000 0.851 2104 R HN 0.329 nan 8.270 nan 0.000 0.434 2105 L N 0.302 121.602 121.223 0.129 0.000 2.265 2105 L HA -0.097 4.243 4.340 0.000 0.000 0.215 2105 L C 1.926 178.871 176.870 0.124 0.000 1.117 2105 L CA 0.820 55.731 54.840 0.119 0.000 0.782 2105 L CB -0.330 41.784 42.059 0.091 0.000 0.914 2105 L HN 0.271 nan 8.230 nan 0.000 0.441 2106 L N -0.624 120.699 121.223 0.166 0.000 2.492 2106 L HA 0.073 4.413 4.340 0.000 0.000 0.223 2106 L C 1.531 178.486 176.870 0.140 0.000 1.132 2106 L CA 0.740 55.690 54.840 0.184 0.000 0.850 2106 L CB -0.291 41.938 42.059 0.283 0.000 0.966 2106 L HN 0.490 nan 8.230 nan 0.000 0.454 2107 G N -0.534 108.337 108.800 0.119 0.000 2.184 2107 G HA2 -0.222 3.738 3.960 0.000 0.000 0.206 2107 G HA3 -0.222 3.738 3.960 0.000 0.000 0.206 2107 G C 0.246 175.192 174.900 0.076 0.000 0.995 2107 G CA -0.161 44.991 45.100 0.087 0.000 0.651 2107 G HN 0.029 nan 8.290 nan 0.000 0.511 2108 V N 0.841 120.809 119.914 0.089 0.000 2.673 2108 V HA 0.252 4.372 4.120 0.000 0.000 0.303 2108 V C 1.305 177.427 176.094 0.047 0.000 1.046 2108 V CA 1.524 63.857 62.300 0.055 0.000 1.126 2108 V CB 1.296 33.150 31.823 0.052 0.000 0.934 2108 V HN 0.524 nan 8.190 nan 0.000 0.487 2109 E N 1.385 121.600 120.200 0.025 0.000 2.514 2109 E HA 0.166 4.516 4.350 0.000 0.000 0.215 2109 E C -0.052 176.555 176.600 0.011 0.000 0.946 2109 E CA 0.117 56.529 56.400 0.020 0.000 1.038 2109 E CB 1.013 30.722 29.700 0.015 0.000 1.069 2109 E HN 0.716 nan 8.360 nan 0.000 0.503 2110 T N 1.238 115.796 114.554 0.006 0.000 2.916 2110 T HA 0.418 4.768 4.350 0.000 0.000 0.298 2110 T C -1.515 173.185 174.700 0.000 0.000 1.031 2110 T CA -0.614 61.489 62.100 0.006 0.000 0.993 2110 T CB 1.995 70.867 68.868 0.006 0.000 1.045 2110 T HN -0.078 nan 8.240 nan 0.000 0.454 2111 L N 4.377 125.605 121.223 0.008 0.000 2.305 2111 L HA 0.754 5.094 4.340 0.000 0.000 0.284 2111 L C -1.101 175.770 176.870 0.001 0.000 1.013 2111 L CA -0.491 54.348 54.840 -0.002 0.000 0.819 2111 L CB 1.234 43.292 42.059 -0.001 0.000 1.227 2111 L HN 0.453 nan 8.230 nan 0.000 0.417 2112 V N 5.978 125.881 119.914 -0.018 0.000 2.370 2112 V HA 0.564 4.684 4.120 0.000 0.000 0.283 2112 V C -0.344 175.655 176.094 -0.157 0.000 1.023 2112 V CA -0.596 61.686 62.300 -0.029 0.000 0.857 2112 V CB 1.639 33.490 31.823 0.046 0.000 0.985 2112 V HN 0.624 nan 8.190 nan 0.000 0.443 2113 V N 2.245 121.989 119.914 -0.283 0.000 2.495 2113 V HA 0.988 5.108 4.120 0.000 0.000 0.298 2113 V C -0.090 175.674 176.094 -0.551 0.000 1.031 2113 V CA -0.275 61.831 62.300 -0.323 0.000 0.871 2113 V CB 1.563 33.238 31.823 -0.246 0.000 0.988 2113 V HN 0.924 nan 8.190 nan 0.000 0.432 2114 T N 1.276 115.539 114.554 -0.486 0.000 2.901 2114 T HA 0.760 5.110 4.350 0.000 0.000 0.293 2114 T C -0.767 173.751 174.700 -0.304 0.000 1.084 2114 T CA -0.473 61.267 62.100 -0.600 0.000 1.008 2114 T CB 2.226 70.717 68.868 -0.630 0.000 1.170 2114 T HN 1.324 nan 8.240 nan 0.000 0.509 2115 N N -0.482 118.094 118.700 -0.206 0.000 3.116 2115 N HA 0.520 5.260 4.740 0.000 0.000 0.244 2115 N C -1.600 173.934 175.510 0.041 0.000 1.485 2115 N CA -1.329 51.687 53.050 -0.057 0.000 0.884 2115 N CB 1.504 39.946 38.487 -0.075 0.000 1.415 2115 N HN 0.968 nan 8.380 nan 0.000 0.524 2116 A N -0.099 122.784 122.820 0.105 0.000 2.312 2116 A HA 0.882 5.202 4.320 0.000 0.000 0.326 2116 A C -0.628 177.048 177.584 0.153 0.000 1.172 2116 A CA -0.275 51.839 52.037 0.128 0.000 0.821 2116 A CB 1.057 20.137 19.000 0.133 0.000 1.166 2116 A HN 0.965 nan 8.150 nan 0.000 0.493 2117 A N 1.029 123.936 122.820 0.146 0.000 2.556 2117 A HA 0.809 5.129 4.320 0.000 0.000 0.294 2117 A C 0.122 177.755 177.584 0.082 0.000 1.091 2117 A CA -0.100 52.022 52.037 0.141 0.000 0.704 2117 A CB 1.241 20.388 19.000 0.246 0.000 1.300 2117 A HN 1.848 nan 8.150 nan 0.000 0.406 2118 G N 0.007 108.806 108.800 -0.003 0.000 2.372 2118 G HA2 0.517 4.477 3.960 0.000 0.000 0.283 2118 G HA3 0.517 4.477 3.960 0.000 0.000 0.283 2118 G C 0.346 175.273 174.900 0.045 0.000 1.177 2118 G CA 0.253 45.344 45.100 -0.015 0.000 0.842 2118 G HN 1.221 nan 8.290 nan 0.000 0.503 2119 G N 0.478 109.338 108.800 0.100 0.000 2.370 2119 G HA2 0.415 4.375 3.960 0.000 0.000 0.272 2119 G HA3 0.415 4.375 3.960 0.000 0.000 0.272 2119 G C 0.368 175.281 174.900 0.022 0.000 1.208 2119 G CA -0.395 44.804 45.100 0.165 0.000 0.856 2119 G HN 0.407 nan 8.290 nan 0.000 0.500 2120 L N 1.866 123.048 121.223 -0.069 0.000 2.500 2120 L HA 0.238 4.578 4.340 0.000 0.000 0.219 2120 L C 1.335 178.057 176.870 -0.247 0.000 1.057 2120 L CA -0.010 54.750 54.840 -0.134 0.000 0.854 2120 L CB -0.440 41.544 42.059 -0.124 0.000 1.078 2120 L HN 0.509 nan 8.230 nan 0.000 0.480 2121 N N 1.905 120.291 118.700 -0.523 0.000 2.468 2121 N HA 0.011 4.751 4.740 0.000 0.000 0.265 2121 N C -1.710 173.547 175.510 -0.421 0.000 1.199 2121 N CA -0.946 51.702 53.050 -0.670 0.000 0.928 2121 N CB 1.553 39.118 38.487 -1.536 0.000 1.059 2121 N HN 0.020 nan 8.380 nan 0.000 0.467 2122 P HA -0.114 nan 4.420 nan 0.000 0.219 2122 P C 0.327 177.600 177.300 -0.044 0.000 1.146 2122 P CA 1.133 64.174 63.100 -0.099 0.000 0.808 2122 P CB 0.408 32.066 31.700 -0.069 0.000 0.779 2123 N N -1.109 117.557 118.700 -0.056 0.000 2.515 2123 N HA 0.002 4.742 4.740 0.000 0.000 0.185 2123 N C 0.528 176.178 175.510 0.233 0.000 1.109 2123 N CA 0.440 53.528 53.050 0.064 0.000 0.903 2123 N CB -0.257 38.273 38.487 0.071 0.000 0.969 2123 N HN 0.120 nan 8.380 nan 0.000 0.450 2124 F N 1.872 121.827 119.950 0.009 0.000 2.410 2124 F HA 0.254 4.781 4.527 0.000 0.000 0.334 2124 F C 1.084 176.894 175.800 0.016 0.000 1.134 2124 F CA -0.573 57.433 58.000 0.010 0.000 1.227 2124 F CB 0.510 39.516 39.000 0.010 0.000 1.194 2124 F HN -0.181 nan 8.300 nan 0.000 0.571 2125 E N 0.423 120.741 120.200 0.197 0.000 2.369 2125 E HA 0.343 4.693 4.350 0.000 0.000 0.270 2125 E C -0.976 175.676 176.600 0.086 0.000 0.909 2125 E CA -1.005 55.465 56.400 0.117 0.000 0.775 2125 E CB 2.356 32.104 29.700 0.080 0.000 1.270 2125 E HN 0.139 nan 8.360 nan 0.000 0.445 2126 V N 1.193 121.153 119.914 0.077 0.000 2.720 2126 V HA 0.209 4.329 4.120 0.000 0.000 0.307 2126 V C 1.519 177.641 176.094 0.047 0.000 1.071 2126 V CA 2.077 64.417 62.300 0.066 0.000 1.199 2126 V CB 0.271 32.132 31.823 0.064 0.000 0.900 2126 V HN 1.030 nan 8.190 nan 0.000 0.494 2127 G N 3.371 112.195 108.800 0.040 0.000 2.213 2127 G HA2 -0.190 3.770 3.960 0.000 0.000 0.236 2127 G HA3 -0.190 3.770 3.960 0.000 0.000 0.236 2127 G C 0.051 174.951 174.900 -0.001 0.000 0.991 2127 G CA 0.091 45.209 45.100 0.031 0.000 0.629 2127 G HN 0.664 nan 8.290 nan 0.000 0.517 2128 D N 0.314 120.688 120.400 -0.043 0.000 2.382 2128 D HA 0.490 5.130 4.640 0.000 0.000 0.240 2128 D C 0.721 176.907 176.300 -0.191 0.000 1.146 2128 D CA 0.334 54.246 54.000 -0.147 0.000 0.897 2128 D CB 0.761 41.400 40.800 -0.269 0.000 1.197 2128 D HN 0.317 nan 8.370 nan 0.000 0.432 2129 I N 2.095 122.485 120.570 -0.300 0.000 2.389 2129 I HA 0.233 4.403 4.170 0.000 0.000 0.288 2129 I C -0.066 175.810 176.117 -0.402 0.000 0.999 2129 I CA -0.469 60.639 61.300 -0.318 0.000 1.129 2129 I CB 1.628 39.332 38.000 -0.494 0.000 1.288 2129 I HN 0.090 nan 8.210 nan 0.000 0.444 2130 M N 7.195 126.637 119.600 -0.264 0.000 2.114 2130 M HA 0.383 4.863 4.480 0.000 0.000 0.332 2130 M C -1.369 174.888 176.300 -0.072 0.000 1.014 2130 M CA -0.994 54.153 55.300 -0.256 0.000 0.956 2130 M CB 1.289 33.733 32.600 -0.259 0.000 1.551 2130 M HN 0.371 nan 8.290 nan 0.000 0.427 2131 L N 5.974 127.145 121.223 -0.086 0.000 2.455 2131 L HA 0.244 4.584 4.340 0.000 0.000 0.272 2131 L C -0.471 176.371 176.870 -0.046 0.000 1.174 2131 L CA 0.710 55.554 54.840 0.006 0.000 0.869 2131 L CB 0.467 42.517 42.059 -0.015 0.000 1.130 2131 L HN 0.597 nan 8.230 nan 0.000 0.474 2132 I N 5.315 125.800 120.570 -0.141 0.000 2.322 2132 I HA 0.191 4.361 4.170 0.000 0.000 0.292 2132 I C 1.301 177.160 176.117 -0.430 0.000 1.060 2132 I CA 0.006 61.099 61.300 -0.344 0.000 1.309 2132 I CB 0.520 38.166 38.000 -0.590 0.000 1.415 2132 I HN 0.673 nan 8.210 nan 0.000 0.492 2133 R N 3.374 123.704 120.500 -0.282 0.000 2.206 2133 R HA 0.110 4.450 4.340 0.000 0.000 0.198 2133 R C -0.133 176.065 176.300 -0.169 0.000 0.986 2133 R CA 0.650 56.671 56.100 -0.132 0.000 1.029 2133 R CB 0.489 30.788 30.300 -0.003 0.000 0.966 2133 R HN 0.712 nan 8.270 nan 0.000 0.487 2134 D N -1.184 119.027 120.400 -0.315 0.000 2.692 2134 D HA 0.159 4.799 4.640 0.000 0.000 0.290 2134 D C -1.610 174.657 176.300 -0.056 0.000 1.281 2134 D CA -0.450 53.475 54.000 -0.124 0.000 0.804 2134 D CB 1.191 41.995 40.800 0.006 0.000 1.331 2134 D HN 0.305 nan 8.370 nan 0.000 0.432 2135 H N -1.148 117.997 119.070 0.125 0.000 2.990 2135 H HA 0.697 5.253 4.556 0.000 0.000 0.343 2135 H C -0.988 174.402 175.328 0.103 0.000 1.270 2135 H CA -1.024 55.106 56.048 0.135 0.000 1.118 2135 H CB 1.361 31.268 29.762 0.243 0.000 1.861 2135 H HN 0.250 nan 8.280 nan 0.000 0.544 2136 I N 1.720 122.472 120.570 0.303 0.000 2.439 2136 I HA 0.146 4.316 4.170 0.000 0.000 0.285 2136 I C -0.397 175.668 176.117 -0.087 0.000 1.021 2136 I CA -0.442 60.934 61.300 0.127 0.000 1.091 2136 I CB 1.799 39.822 38.000 0.039 0.000 1.242 2136 I HN 0.613 nan 8.210 nan 0.000 0.439 2137 N N 6.991 125.569 118.700 -0.204 0.000 2.801 2137 N HA 0.287 5.027 4.740 0.000 0.000 0.235 2137 N C 0.954 176.078 175.510 -0.643 0.000 1.069 2137 N CA -0.347 52.485 53.050 -0.363 0.000 0.946 2137 N CB 0.728 39.057 38.487 -0.263 0.000 1.212 2137 N HN 0.651 nan 8.380 nan 0.000 0.509 2138 L N 3.087 123.979 121.223 -0.553 0.000 2.012 2138 L HA -0.092 4.248 4.340 0.000 0.000 0.210 2138 L C -0.665 176.053 176.870 -0.253 0.000 1.073 2138 L CA 1.374 55.889 54.840 -0.541 0.000 0.748 2138 L CB -1.579 40.346 42.059 -0.223 0.000 0.891 2138 L HN 0.441 nan 8.230 nan 0.000 0.431 2139 P HA -0.144 nan 4.420 nan 0.000 0.218 2139 P C 1.581 178.932 177.300 0.085 0.000 1.148 2139 P CA 1.692 64.841 63.100 0.082 0.000 0.822 2139 P CB -0.227 31.639 31.700 0.277 0.000 0.784 2140 G N -0.955 107.832 108.800 -0.023 0.000 2.442 2140 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 2140 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 2140 G C 1.086 176.096 174.900 0.184 0.000 1.141 2140 G CA 0.342 45.465 45.100 0.038 0.000 0.763 2140 G HN 0.131 nan 8.290 nan 0.000 0.554 2141 F N 1.927 121.918 119.950 0.068 0.000 2.333 2141 F HA -0.017 4.510 4.527 0.000 0.000 0.300 2141 F C 2.788 178.624 175.800 0.059 0.000 1.083 2141 F CA 0.769 58.804 58.000 0.058 0.000 1.395 2141 F CB -0.525 38.504 39.000 0.048 0.000 1.056 2141 F HN 0.299 nan 8.300 nan 0.000 0.529 2142 S N -1.532 114.311 115.700 0.240 0.000 2.540 2142 S HA 0.461 4.931 4.470 0.000 0.000 0.218 2142 S C 1.640 176.321 174.600 0.135 0.000 0.977 2142 S CA 0.363 58.660 58.200 0.162 0.000 0.918 2142 S CB 0.229 63.506 63.200 0.129 0.000 0.806 2142 S HN 0.508 nan 8.310 nan 0.000 0.496 2143 G N 0.888 109.778 108.800 0.151 0.000 2.194 2143 G HA2 -0.201 3.759 3.960 0.000 0.000 0.236 2143 G HA3 -0.201 3.759 3.960 0.000 0.000 0.236 2143 G C -0.061 174.930 174.900 0.152 0.000 0.987 2143 G CA -0.193 44.988 45.100 0.135 0.000 0.635 2143 G HN 0.494 nan 8.290 nan 0.000 0.520 2144 Q N 0.847 120.754 119.800 0.179 0.000 2.348 2144 Q HA 0.389 4.729 4.340 0.000 0.000 0.251 2144 Q C -0.116 176.114 176.000 0.382 0.000 1.113 2144 Q CA 0.426 56.381 55.803 0.253 0.000 0.902 2144 Q CB 0.400 29.275 28.738 0.228 0.000 1.333 2144 Q HN 0.651 nan 8.270 nan 0.000 0.457 2145 N N 2.572 121.471 118.700 0.331 0.000 2.324 2145 N HA 0.256 4.996 4.740 0.000 0.000 0.285 2145 N C -2.069 173.567 175.510 0.209 0.000 1.076 2145 N CA -1.343 51.825 53.050 0.197 0.000 0.864 2145 N CB 1.916 40.467 38.487 0.106 0.000 1.632 2145 N HN 0.050 nan 8.380 nan 0.000 0.478 2146 P HA -0.081 nan 4.420 nan 0.000 0.225 2146 P C 0.555 177.903 177.300 0.080 0.000 1.148 2146 P CA 0.991 64.186 63.100 0.158 0.000 0.779 2146 P CB 0.350 32.074 31.700 0.040 0.000 0.780 2147 L N -1.366 119.851 121.223 -0.011 0.000 2.585 2147 L HA 0.209 4.549 4.340 0.000 0.000 0.226 2147 L C 1.636 178.485 176.870 -0.035 0.000 1.113 2147 L CA -0.460 54.321 54.840 -0.099 0.000 0.876 2147 L CB -0.442 41.481 42.059 -0.227 0.000 1.072 2147 L HN -0.123 nan 8.230 nan 0.000 0.468 2148 R N 1.510 122.031 120.500 0.035 0.000 2.583 2148 R HA 0.334 4.674 4.340 0.000 0.000 0.274 2148 R C 0.246 176.553 176.300 0.012 0.000 0.998 2148 R CA 1.104 57.228 56.100 0.041 0.000 1.081 2148 R CB 0.197 30.549 30.300 0.085 0.000 0.940 2148 R HN 0.234 nan 8.270 nan 0.000 0.413 2149 G N 3.949 112.746 108.800 -0.006 0.000 2.371 2149 G HA2 -0.108 3.852 3.960 0.000 0.000 0.663 2149 G HA3 -0.108 3.852 3.960 0.000 0.000 0.663 2149 G C -2.790 172.093 174.900 -0.028 0.000 1.311 2149 G CA -0.747 44.338 45.100 -0.025 0.000 0.985 2149 G HN 0.608 nan 8.290 nan 0.000 0.566 2150 P HA 0.266 nan 4.420 nan 0.000 0.271 2150 P C -0.157 177.132 177.300 -0.019 0.000 1.216 2150 P CA -0.265 62.818 63.100 -0.028 0.000 0.771 2150 P CB 0.780 32.467 31.700 -0.021 0.000 0.864 2151 N N 1.967 120.644 118.700 -0.038 0.000 2.492 2151 N HA 0.019 4.759 4.740 0.000 0.000 0.260 2151 N C -0.227 175.303 175.510 0.034 0.000 1.215 2151 N CA 0.021 53.068 53.050 -0.005 0.000 0.923 2151 N CB 0.351 38.811 38.487 -0.045 0.000 1.092 2151 N HN 0.293 nan 8.380 nan 0.000 0.448 2152 E N 2.306 122.576 120.200 0.117 0.000 2.035 2152 E HA 0.105 4.455 4.350 0.000 0.000 0.271 2152 E C 0.148 176.752 176.600 0.006 0.000 0.953 2152 E CA -0.114 56.325 56.400 0.065 0.000 0.777 2152 E CB 0.251 30.076 29.700 0.209 0.000 1.104 2152 E HN 0.525 nan 8.360 nan 0.000 0.408 2153 E N 3.508 123.652 120.200 -0.093 0.000 2.209 2153 E HA -0.195 4.155 4.350 0.000 0.000 0.196 2153 E C 1.016 177.498 176.600 -0.198 0.000 0.993 2153 E CA 0.768 57.097 56.400 -0.119 0.000 0.819 2153 E CB 0.092 29.719 29.700 -0.121 0.000 0.745 2153 E HN 0.485 nan 8.360 nan 0.000 0.477 2154 R N -0.651 119.634 120.500 -0.358 0.000 2.316 2154 R HA -0.041 4.299 4.340 0.000 0.000 0.202 2154 R C 1.335 177.370 176.300 -0.442 0.000 1.029 2154 R CA 0.603 56.403 56.100 -0.500 0.000 1.018 2154 R CB 0.064 29.786 30.300 -0.963 0.000 0.888 2154 R HN 0.106 nan 8.270 nan 0.000 0.471 2155 F N -1.528 118.331 119.950 -0.153 0.000 2.480 2155 F HA 0.368 4.895 4.527 0.000 0.000 0.280 2155 F C 1.377 176.931 175.800 -0.411 0.000 1.002 2155 F CA 0.571 58.466 58.000 -0.175 0.000 1.325 2155 F CB 0.137 39.100 39.000 -0.063 0.000 1.134 2155 F HN -0.021 nan 8.300 nan 0.000 0.646 2156 G N -0.655 107.927 108.800 -0.364 0.000 2.561 2156 G HA2 0.466 4.426 3.960 0.000 0.000 0.310 2156 G HA3 0.466 4.426 3.960 0.000 0.000 0.310 2156 G C -1.462 173.311 174.900 -0.211 0.000 1.292 2156 G CA -0.117 44.631 45.100 -0.586 0.000 0.811 2156 G HN 0.157 nan 8.290 nan 0.000 0.482 2157 V N -1.515 118.337 119.914 -0.102 0.000 3.214 2157 V HA 0.655 4.775 4.120 0.000 0.000 0.306 2157 V C 1.807 177.934 176.094 0.055 0.000 1.078 2157 V CA -0.081 62.222 62.300 0.006 0.000 1.077 2157 V CB 1.438 33.271 31.823 0.017 0.000 1.121 2157 V HN 0.795 nan 8.190 nan 0.000 0.468 2158 R N 1.543 121.972 120.500 -0.119 0.000 2.070 2158 R HA 0.060 4.400 4.340 0.000 0.000 0.233 2158 R C 0.647 176.658 176.300 -0.482 0.000 1.137 2158 R CA 1.648 57.504 56.100 -0.407 0.000 0.945 2158 R CB -0.886 28.944 30.300 -0.783 0.000 0.845 2158 R HN 0.759 nan 8.270 nan 0.000 0.430 2159 F N 3.186 123.180 119.950 0.073 0.000 2.366 2159 F HA 0.394 4.921 4.527 0.000 0.000 0.328 2159 F C -1.801 174.041 175.800 0.070 0.000 1.180 2159 F CA -2.810 55.227 58.000 0.061 0.000 1.232 2159 F CB 0.388 39.413 39.000 0.043 0.000 1.513 2159 F HN 0.016 nan 8.300 nan 0.000 0.540 2160 P HA 0.263 nan 4.420 nan 0.000 0.271 2160 P C -0.302 177.076 177.300 0.130 0.000 1.216 2160 P CA -0.172 63.025 63.100 0.162 0.000 0.776 2160 P CB 1.343 33.157 31.700 0.190 0.000 0.881 2161 A N 3.487 126.362 122.820 0.093 0.000 2.407 2161 A HA 0.347 4.667 4.320 0.000 0.000 0.248 2161 A C 0.932 178.541 177.584 0.041 0.000 1.082 2161 A CA -0.130 51.946 52.037 0.066 0.000 0.785 2161 A CB 0.047 19.076 19.000 0.047 0.000 1.020 2161 A HN 0.541 nan 8.150 nan 0.000 0.489 2162 M N 1.686 121.305 119.600 0.031 0.000 2.279 2162 M HA 0.022 4.502 4.480 0.000 0.000 0.299 2162 M C 1.993 178.271 176.300 -0.036 0.000 0.970 2162 M CA 0.970 56.263 55.300 -0.011 0.000 1.065 2162 M CB -0.748 31.863 32.600 0.018 0.000 1.669 2162 M HN 0.961 nan 8.290 nan 0.000 0.582 2163 S N 1.262 116.963 115.700 0.001 0.000 2.440 2163 S HA -0.126 4.344 4.470 0.000 0.000 0.238 2163 S C 0.789 175.397 174.600 0.015 0.000 1.010 2163 S CA 1.671 59.877 58.200 0.011 0.000 0.972 2163 S CB -0.547 62.668 63.200 0.024 0.000 0.774 2163 S HN 0.519 nan 8.310 nan 0.000 0.501 2164 D N -0.069 120.331 120.400 0.000 0.000 2.720 2164 D HA 0.537 5.177 4.640 0.000 0.000 0.285 2164 D C 1.159 177.440 176.300 -0.031 0.000 1.359 2164 D CA 0.182 54.189 54.000 0.011 0.000 0.818 2164 D CB -0.002 40.806 40.800 0.014 0.000 1.108 2164 D HN 0.307 nan 8.370 nan 0.000 0.474 2165 A N 0.008 122.768 122.820 -0.100 0.000 1.917 2165 A HA -0.159 4.161 4.320 0.000 0.000 0.219 2165 A C 0.310 177.644 177.584 -0.417 0.000 1.182 2165 A CA 0.864 52.721 52.037 -0.301 0.000 0.633 2165 A CB -0.791 17.909 19.000 -0.500 0.000 0.819 2165 A HN 0.351 nan 8.150 nan 0.000 0.448 2166 Y N 0.546 120.838 120.300 -0.014 0.000 2.518 2166 Y HA 0.364 4.914 4.550 0.000 0.000 0.344 2166 Y C 0.012 175.944 175.900 0.054 0.000 0.982 2166 Y CA -1.489 56.625 58.100 0.023 0.000 1.234 2166 Y CB 0.061 38.530 38.460 0.016 0.000 1.114 2166 Y HN 0.269 nan 8.280 nan 0.000 0.515 2167 D N 2.927 123.408 120.400 0.135 0.000 2.661 2167 D HA -0.118 4.522 4.640 0.000 0.000 0.244 2167 D C 1.517 177.894 176.300 0.129 0.000 1.196 2167 D CA 0.594 54.659 54.000 0.109 0.000 0.881 2167 D CB 0.695 41.550 40.800 0.091 0.000 1.141 2167 D HN 0.546 nan 8.370 nan 0.000 0.530 2168 R N 2.976 123.535 120.500 0.098 0.000 2.080 2168 R HA -0.178 4.162 4.340 0.000 0.000 0.236 2168 R C 0.965 177.312 176.300 0.079 0.000 1.137 2168 R CA 1.721 57.878 56.100 0.095 0.000 0.943 2168 R CB -0.007 30.337 30.300 0.074 0.000 0.846 2168 R HN 0.595 nan 8.270 nan 0.000 0.431 2169 D N 0.244 120.676 120.400 0.052 0.000 2.116 2169 D HA -0.217 4.423 4.640 0.000 0.000 0.193 2169 D C 1.933 178.238 176.300 0.009 0.000 0.998 2169 D CA 1.267 55.285 54.000 0.031 0.000 0.836 2169 D CB -0.193 40.616 40.800 0.015 0.000 0.951 2169 D HN 0.217 nan 8.370 nan 0.000 0.449 2170 M N 0.201 119.800 119.600 -0.002 0.000 2.202 2170 M HA -0.101 4.379 4.480 0.000 0.000 0.262 2170 M C 2.139 178.381 176.300 -0.097 0.000 1.063 2170 M CA 1.111 56.352 55.300 -0.097 0.000 1.097 2170 M CB -0.605 31.947 32.600 -0.081 0.000 1.382 2170 M HN 0.006 nan 8.290 nan 0.000 0.413 2171 R N -0.324 120.212 120.500 0.059 0.000 2.073 2171 R HA -0.099 4.241 4.340 0.000 0.000 0.229 2171 R C 2.319 178.671 176.300 0.086 0.000 1.120 2171 R CA 1.089 57.247 56.100 0.097 0.000 0.967 2171 R CB -0.115 30.288 30.300 0.172 0.000 0.862 2171 R HN 0.518 nan 8.270 nan 0.000 0.436 2172 Q N 0.525 120.395 119.800 0.118 0.000 2.050 2172 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 2172 Q C 1.879 177.945 176.000 0.110 0.000 0.980 2172 Q CA 1.330 57.227 55.803 0.158 0.000 0.840 2172 Q CB -0.092 28.708 28.738 0.102 0.000 0.898 2172 Q HN 0.296 nan 8.270 nan 0.000 0.424 2173 K N 0.506 120.918 120.400 0.021 0.000 2.209 2173 K HA -0.092 4.228 4.320 0.000 0.000 0.204 2173 K C 2.049 178.636 176.600 -0.022 0.000 1.048 2173 K CA 0.961 57.240 56.287 -0.013 0.000 0.940 2173 K CB -0.099 32.352 32.500 -0.081 0.000 0.729 2173 K HN 0.146 nan 8.250 nan 0.000 0.451 2174 A N 1.036 123.799 122.820 -0.094 0.000 1.930 2174 A HA -0.165 4.155 4.320 0.000 0.000 0.217 2174 A C 1.739 179.443 177.584 0.199 0.000 1.175 2174 A CA 1.205 53.215 52.037 -0.046 0.000 0.627 2174 A CB -0.508 18.421 19.000 -0.118 0.000 0.815 2174 A HN 0.249 nan 8.150 nan 0.000 0.443 2175 H N -0.125 119.052 119.070 0.178 0.000 2.357 2175 H HA -0.027 4.529 4.556 0.000 0.000 0.301 2175 H C 2.534 177.978 175.328 0.193 0.000 1.082 2175 H CA 1.539 57.689 56.048 0.169 0.000 1.342 2175 H CB -0.262 29.556 29.762 0.094 0.000 1.389 2175 H HN 0.470 nan 8.280 nan 0.000 0.511 2176 S N 0.000 115.854 115.700 0.256 0.000 2.348 2176 S HA -0.126 4.344 4.470 0.000 0.000 0.221 2176 S C 2.279 176.991 174.600 0.186 0.000 1.033 2176 S CA 1.706 60.011 58.200 0.174 0.000 1.010 2176 S CB -0.351 62.914 63.200 0.108 0.000 0.891 2176 S HN 0.467 nan 8.310 nan 0.000 0.442 2177 T N 1.266 115.946 114.554 0.210 0.000 2.759 2177 T HA -0.154 4.196 4.350 0.000 0.000 0.269 2177 T C 1.326 176.210 174.700 0.307 0.000 1.042 2177 T CA 1.098 63.341 62.100 0.238 0.000 1.140 2177 T CB -0.314 68.706 68.868 0.253 0.000 0.864 2177 T HN 0.595 nan 8.240 nan 0.000 0.455 2178 W N 2.278 123.667 121.300 0.149 0.000 2.388 2178 W HA -0.066 4.594 4.660 0.000 0.000 0.294 2178 W C 1.726 178.223 176.519 -0.036 0.000 1.212 2178 W CA 0.910 58.222 57.345 -0.055 0.000 1.271 2178 W CB -0.112 29.242 29.460 -0.176 0.000 1.126 2178 W HN 0.284 nan 8.180 nan 0.000 0.535 2179 K N 0.275 120.769 120.400 0.157 0.000 2.057 2179 K HA -0.194 4.126 4.320 0.000 0.000 0.206 2179 K C 1.981 178.554 176.600 -0.045 0.000 1.050 2179 K CA 1.555 57.862 56.287 0.034 0.000 0.935 2179 K CB -0.526 32.029 32.500 0.091 0.000 0.715 2179 K HN 0.253 nan 8.250 nan 0.000 0.439 2180 Q N 0.189 119.987 119.800 -0.003 0.000 2.364 2180 Q HA -0.038 4.302 4.340 0.000 0.000 0.207 2180 Q C 1.766 177.722 176.000 -0.072 0.000 0.970 2180 Q CA 0.948 56.739 55.803 -0.021 0.000 0.888 2180 Q CB -0.063 28.685 28.738 0.016 0.000 0.951 2180 Q HN 0.369 nan 8.270 nan 0.000 0.469 2181 M N -1.195 118.319 119.600 -0.144 0.000 2.558 2181 M HA 0.066 4.546 4.480 0.000 0.000 0.255 2181 M C 0.984 177.126 176.300 -0.263 0.000 1.113 2181 M CA 0.758 55.931 55.300 -0.212 0.000 1.097 2181 M CB 0.544 32.949 32.600 -0.325 0.000 1.426 2181 M HN 0.400 nan 8.290 nan 0.000 0.488 2182 G N 0.411 109.055 108.800 -0.259 0.000 2.143 2182 G HA2 -0.180 3.780 3.960 0.000 0.000 0.249 2182 G HA3 -0.180 3.780 3.960 0.000 0.000 0.249 2182 G C -0.238 174.480 174.900 -0.303 0.000 0.981 2182 G CA -0.292 44.674 45.100 -0.224 0.000 0.665 2182 G HN 0.393 nan 8.290 nan 0.000 0.528 2183 E N 0.111 119.986 120.200 -0.542 0.000 2.452 2183 E HA 0.090 4.440 4.350 0.000 0.000 0.261 2183 E C 1.251 177.689 176.600 -0.270 0.000 0.987 2183 E CA -0.083 55.952 56.400 -0.609 0.000 0.926 2183 E CB 0.934 29.761 29.700 -1.455 0.000 0.934 2183 E HN 0.477 nan 8.360 nan 0.000 0.452 2184 Q N 2.964 122.682 119.800 -0.136 0.000 2.107 2184 Q HA -0.043 4.297 4.340 0.000 0.000 0.195 2184 Q C 0.356 176.391 176.000 0.060 0.000 0.964 2184 Q CA 0.495 56.280 55.803 -0.030 0.000 0.833 2184 Q CB 0.214 28.937 28.738 -0.025 0.000 0.910 2184 Q HN 0.310 nan 8.270 nan 0.000 0.465 2185 R N 2.408 122.963 120.500 0.092 0.000 2.404 2185 R HA -0.009 4.331 4.340 0.000 0.000 0.315 2185 R C -0.680 175.792 176.300 0.286 0.000 1.032 2185 R CA 0.105 56.293 56.100 0.147 0.000 0.992 2185 R CB 0.264 30.639 30.300 0.125 0.000 0.959 2185 R HN 0.060 nan 8.270 nan 0.000 0.428 2186 E N 2.595 122.911 120.200 0.194 0.000 2.458 2186 E HA -0.095 4.255 4.350 0.000 0.000 0.264 2186 E C -0.301 176.274 176.600 -0.042 0.000 1.097 2186 E CA 0.172 56.677 56.400 0.175 0.000 0.973 2186 E CB 0.357 30.105 29.700 0.080 0.000 0.963 2186 E HN 0.463 nan 8.360 nan 0.000 0.451 2187 L N 3.188 124.235 121.223 -0.294 0.000 2.315 2187 L HA 0.058 4.398 4.340 0.000 0.000 0.283 2187 L C -0.040 176.665 176.870 -0.275 0.000 1.089 2187 L CA -0.499 53.914 54.840 -0.711 0.000 0.833 2187 L CB 0.361 41.879 42.059 -0.903 0.000 1.170 2187 L HN 0.457 nan 8.230 nan 0.000 0.442 2188 Q N 4.053 123.656 119.800 -0.328 0.000 2.396 2188 Q HA 0.280 4.620 4.340 0.000 0.000 0.221 2188 Q C -0.574 175.356 176.000 -0.117 0.000 1.025 2188 Q CA -0.016 55.664 55.803 -0.206 0.000 0.946 2188 Q CB 1.356 29.782 28.738 -0.521 0.000 1.224 2188 Q HN 0.586 nan 8.270 nan 0.000 0.539 2189 E N -1.451 118.766 120.200 0.028 0.000 2.347 2189 E HA 0.569 4.919 4.350 0.000 0.000 0.285 2189 E C -1.237 175.443 176.600 0.134 0.000 0.925 2189 E CA -0.277 56.162 56.400 0.066 0.000 0.779 2189 E CB 1.249 31.024 29.700 0.125 0.000 1.233 2189 E HN 0.718 nan 8.360 nan 0.000 0.414 2190 G N 1.304 110.166 108.800 0.103 0.000 2.364 2190 G HA2 0.255 4.215 3.960 0.000 0.000 0.286 2190 G HA3 0.255 4.215 3.960 0.000 0.000 0.286 2190 G C -1.192 173.743 174.900 0.060 0.000 1.241 2190 G CA -0.527 44.643 45.100 0.116 0.000 0.887 2190 G HN 0.363 nan 8.290 nan 0.000 0.484 2191 T N 0.734 115.333 114.554 0.074 0.000 2.771 2191 T HA 0.483 4.833 4.350 0.000 0.000 0.291 2191 T C -1.057 173.713 174.700 0.118 0.000 0.954 2191 T CA 0.170 62.309 62.100 0.066 0.000 1.045 2191 T CB 0.991 69.891 68.868 0.054 0.000 0.917 2191 T HN 0.478 nan 8.240 nan 0.000 0.484 2192 Y N 3.754 124.044 120.300 -0.016 0.000 2.330 2192 Y HA 0.593 5.143 4.550 0.000 0.000 0.336 2192 Y C -0.480 175.426 175.900 0.009 0.000 1.036 2192 Y CA -0.845 57.252 58.100 -0.005 0.000 1.125 2192 Y CB 0.976 39.414 38.460 -0.036 0.000 1.194 2192 Y HN 0.440 nan 8.280 nan 0.000 0.469 2193 V N 8.827 128.490 119.914 -0.420 0.000 2.459 2193 V HA 0.447 4.567 4.120 0.000 0.000 0.295 2193 V C -0.846 174.920 176.094 -0.547 0.000 1.029 2193 V CA -0.807 61.305 62.300 -0.313 0.000 0.874 2193 V CB 1.376 33.079 31.823 -0.200 0.000 0.985 2193 V HN 0.947 nan 8.190 nan 0.000 0.438 2194 M N 7.458 126.881 119.600 -0.295 0.000 2.363 2194 M HA 0.627 5.107 4.480 0.000 0.000 0.343 2194 M C -1.714 174.508 176.300 -0.130 0.000 1.165 2194 M CA -0.525 54.655 55.300 -0.201 0.000 1.046 2194 M CB 1.499 34.098 32.600 -0.001 0.000 1.648 2194 M HN 0.725 nan 8.290 nan 0.000 0.452 2195 L N 2.632 123.811 121.223 -0.073 0.000 2.303 2195 L HA 0.787 5.127 4.340 0.000 0.000 0.256 2195 L C 0.661 177.571 176.870 0.067 0.000 1.034 2195 L CA -0.620 54.209 54.840 -0.020 0.000 0.832 2195 L CB 0.137 42.167 42.059 -0.049 0.000 1.403 2195 L HN 0.704 nan 8.230 nan 0.000 0.419 2196 G N -0.900 107.952 108.800 0.087 0.000 2.402 2196 G HA2 0.396 4.356 3.960 0.000 0.000 0.216 2196 G HA3 0.396 4.356 3.960 0.000 0.000 0.216 2196 G C 0.752 175.761 174.900 0.181 0.000 1.162 2196 G CA 0.831 46.015 45.100 0.139 0.000 0.777 2196 G HN 1.448 nan 8.290 nan 0.000 0.539 2197 G N 0.257 109.121 108.800 0.105 0.000 2.642 2197 G HA2 -0.150 3.810 3.960 0.000 0.000 0.231 2197 G HA3 -0.150 3.810 3.960 0.000 0.000 0.231 2197 G C -0.793 174.151 174.900 0.073 0.000 1.338 2197 G CA 0.248 45.394 45.100 0.076 0.000 0.883 2197 G HN 0.420 nan 8.290 nan 0.000 0.570 2198 P HA 0.052 nan 4.420 nan 0.000 0.236 2198 P C 0.673 177.927 177.300 -0.077 0.000 1.177 2198 P CA 1.027 63.979 63.100 -0.246 0.000 0.773 2198 P CB -0.413 31.054 31.700 -0.387 0.000 0.878 2199 N N -0.030 118.674 118.700 0.007 0.000 2.482 2199 N HA 0.062 4.802 4.740 0.000 0.000 0.260 2199 N C -0.468 175.182 175.510 0.234 0.000 1.236 2199 N CA -0.440 52.661 53.050 0.084 0.000 0.938 2199 N CB 0.005 38.517 38.487 0.041 0.000 1.128 2199 N HN -0.099 nan 8.380 nan 0.000 0.448 2200 F N 0.050 119.960 119.950 -0.067 0.000 2.380 2200 F HA 0.170 4.697 4.527 0.000 0.000 0.325 2200 F C 1.111 176.890 175.800 -0.035 0.000 1.136 2200 F CA -0.933 57.038 58.000 -0.048 0.000 1.171 2200 F CB 0.741 39.716 39.000 -0.041 0.000 1.230 2200 F HN 0.449 nan 8.300 nan 0.000 0.554 2201 E N 0.316 120.561 120.200 0.075 0.000 2.404 2201 E HA 0.131 4.481 4.350 0.000 0.000 0.261 2201 E C 0.041 176.669 176.600 0.046 0.000 1.074 2201 E CA -0.259 56.158 56.400 0.029 0.000 0.917 2201 E CB 0.366 30.049 29.700 -0.030 0.000 0.965 2201 E HN 0.499 nan 8.360 nan 0.000 0.433 2202 T N -2.011 112.559 114.554 0.026 0.000 2.816 2202 T HA 0.155 4.505 4.350 0.000 0.000 0.282 2202 T C 1.234 175.943 174.700 0.014 0.000 0.993 2202 T CA -0.811 61.303 62.100 0.022 0.000 0.994 2202 T CB 0.764 69.641 68.868 0.015 0.000 1.025 2202 T HN 0.122 nan 8.240 nan 0.000 0.529 2203 V N 1.502 121.423 119.914 0.012 0.000 2.343 2203 V HA -0.124 3.996 4.120 0.000 0.000 0.247 2203 V C 3.081 179.176 176.094 0.001 0.000 1.051 2203 V CA 2.338 64.642 62.300 0.007 0.000 1.036 2203 V CB -1.581 30.246 31.823 0.007 0.000 0.654 2203 V HN 1.083 nan 8.190 nan 0.000 0.451 2204 A N -0.621 122.200 122.820 0.002 0.000 1.972 2204 A HA -0.235 4.085 4.320 0.000 0.000 0.219 2204 A C 2.150 179.733 177.584 -0.002 0.000 1.169 2204 A CA 1.832 53.870 52.037 0.000 0.000 0.635 2204 A CB -0.414 18.587 19.000 0.003 0.000 0.810 2204 A HN 0.642 nan 8.150 nan 0.000 0.446 2205 E N -0.971 119.228 120.200 -0.002 0.000 2.107 2205 E HA -0.138 4.212 4.350 0.000 0.000 0.191 2205 E C 1.973 178.562 176.600 -0.019 0.000 0.982 2205 E CA 1.177 57.572 56.400 -0.008 0.000 0.809 2205 E CB -0.292 29.404 29.700 -0.008 0.000 0.756 2205 E HN 0.683 nan 8.360 nan 0.000 0.459 2206 C N 0.576 119.864 119.300 -0.020 0.000 2.440 2206 C HA -0.045 4.415 4.460 0.000 0.000 0.278 2206 C C 2.498 177.470 174.990 -0.031 0.000 1.295 2206 C CA 0.465 59.465 59.018 -0.032 0.000 1.738 2206 C CB -0.798 26.926 27.740 -0.025 0.000 1.987 2206 C HN 0.372 nan 8.230 nan 0.000 0.492 2207 R N 0.604 121.092 120.500 -0.020 0.000 2.075 2207 R HA -0.058 4.282 4.340 0.000 0.000 0.232 2207 R C 2.292 178.581 176.300 -0.019 0.000 1.126 2207 R CA 1.051 57.139 56.100 -0.021 0.000 0.963 2207 R CB -0.582 29.709 30.300 -0.014 0.000 0.858 2207 R HN 0.538 nan 8.270 nan 0.000 0.435 2208 L N 1.211 122.427 121.223 -0.012 0.000 2.012 2208 L HA -0.212 4.128 4.340 0.000 0.000 0.210 2208 L C 2.033 178.898 176.870 -0.009 0.000 1.073 2208 L CA 1.612 56.449 54.840 -0.005 0.000 0.748 2208 L CB -0.226 41.834 42.059 0.001 0.000 0.891 2208 L HN 0.226 nan 8.230 nan 0.000 0.431 2209 L N -0.276 120.934 121.223 -0.021 0.000 2.083 2209 L HA -0.215 4.125 4.340 0.000 0.000 0.209 2209 L C 2.834 179.682 176.870 -0.038 0.000 1.083 2209 L CA 1.178 55.999 54.840 -0.032 0.000 0.752 2209 L CB -0.591 41.432 42.059 -0.059 0.000 0.899 2209 L HN 0.323 nan 8.230 nan 0.000 0.433 2210 R N 1.075 121.548 120.500 -0.045 0.000 2.081 2210 R HA -0.152 4.188 4.340 0.000 0.000 0.235 2210 R C 1.789 178.067 176.300 -0.037 0.000 1.131 2210 R CA 1.786 57.853 56.100 -0.055 0.000 0.960 2210 R CB -0.549 29.714 30.300 -0.061 0.000 0.856 2210 R HN 0.291 nan 8.270 nan 0.000 0.436 2211 N N -0.341 118.346 118.700 -0.023 0.000 2.381 2211 N HA -0.071 4.669 4.740 0.000 0.000 0.182 2211 N C 0.694 176.205 175.510 0.001 0.000 1.025 2211 N CA 0.634 53.677 53.050 -0.012 0.000 0.888 2211 N CB -0.076 38.407 38.487 -0.007 0.000 0.965 2211 N HN 0.123 nan 8.380 nan 0.000 0.438 2212 L N -0.592 120.635 121.223 0.007 0.000 2.552 2212 L HA 0.186 4.526 4.340 0.000 0.000 0.227 2212 L C 1.443 178.330 176.870 0.027 0.000 1.146 2212 L CA 0.747 55.605 54.840 0.030 0.000 0.858 2212 L CB -0.967 41.120 42.059 0.047 0.000 0.969 2212 L HN 0.338 nan 8.230 nan 0.000 0.451 2213 G N -1.814 106.989 108.800 0.004 0.000 2.159 2213 G HA2 -0.175 3.785 3.960 0.000 0.000 0.227 2213 G HA3 -0.175 3.785 3.960 0.000 0.000 0.227 2213 G C 0.518 175.414 174.900 -0.006 0.000 0.986 2213 G CA 0.057 45.159 45.100 0.002 0.000 0.651 2213 G HN 0.662 nan 8.290 nan 0.000 0.523 2214 A N -0.172 122.635 122.820 -0.021 0.000 2.371 2214 A HA 0.641 4.961 4.320 0.000 0.000 0.257 2214 A C 0.940 178.486 177.584 -0.064 0.000 1.089 2214 A CA 0.603 52.619 52.037 -0.035 0.000 0.794 2214 A CB 0.488 19.449 19.000 -0.065 0.000 1.029 2214 A HN 0.155 nan 8.150 nan 0.000 0.488 2215 D N 0.014 120.392 120.400 -0.037 0.000 2.422 2215 D HA 0.355 4.995 4.640 0.000 0.000 0.218 2215 D C 0.381 176.685 176.300 0.006 0.000 1.047 2215 D CA 1.326 55.276 54.000 -0.083 0.000 0.885 2215 D CB 0.729 41.557 40.800 0.046 0.000 1.035 2215 D HN 0.694 nan 8.370 nan 0.000 0.502 2216 A N 0.691 123.548 122.820 0.060 0.000 2.549 2216 A HA 0.583 4.903 4.320 0.000 0.000 0.297 2216 A C -0.964 176.522 177.584 -0.164 0.000 1.061 2216 A CA -0.635 51.445 52.037 0.072 0.000 0.690 2216 A CB 1.753 20.912 19.000 0.265 0.000 1.287 2216 A HN -0.089 nan 8.150 nan 0.000 0.402 2217 V N -0.518 119.268 119.914 -0.213 0.000 2.604 2217 V HA 1.019 5.139 4.120 0.000 0.000 0.305 2217 V C 0.286 176.167 176.094 -0.355 0.000 1.043 2217 V CA 0.141 62.205 62.300 -0.394 0.000 0.888 2217 V CB 1.038 32.694 31.823 -0.278 0.000 0.995 2217 V HN 1.846 nan 8.190 nan 0.000 0.429 2218 G N 2.437 110.947 108.800 -0.482 0.000 2.749 2218 G HA2 0.636 4.596 3.960 0.000 0.000 0.300 2218 G HA3 0.636 4.596 3.960 0.000 0.000 0.300 2218 G C -0.871 174.043 174.900 0.024 0.000 1.352 2218 G CA -0.855 44.199 45.100 -0.076 0.000 0.789 2218 G HN 0.649 nan 8.290 nan 0.000 0.509 2219 M N 1.302 121.040 119.600 0.230 0.000 2.809 2219 M HA 0.356 4.836 4.480 0.000 0.000 0.388 2219 M C 0.293 176.823 176.300 0.382 0.000 1.248 2219 M CA -0.346 55.131 55.300 0.295 0.000 0.885 2219 M CB 0.986 33.822 32.600 0.394 0.000 1.386 2219 M HN 0.596 nan 8.290 nan 0.000 0.509 2220 S N -2.702 113.203 115.700 0.343 0.000 2.929 2220 S HA 0.687 5.157 4.470 0.000 0.000 0.311 2220 S C 0.561 175.201 174.600 0.067 0.000 1.213 2220 S CA 0.255 58.566 58.200 0.185 0.000 0.908 2220 S CB 1.674 64.951 63.200 0.129 0.000 1.287 2220 S HN 0.247 nan 8.310 nan 0.000 0.594 2221 T N 0.046 114.547 114.554 -0.087 0.000 12.481 2221 T HA -0.270 4.080 4.350 0.000 0.000 0.418 2221 T C 1.365 175.963 174.700 -0.169 0.000 1.450 2221 T CA 1.746 63.738 62.100 -0.179 0.000 2.393 2221 T CB -2.186 66.460 68.868 -0.370 0.000 2.837 2221 T HN 0.965 nan 8.240 nan 0.000 0.792 2222 V N 3.010 122.827 119.914 -0.162 0.000 2.287 2222 V HA -0.154 3.966 4.120 0.000 0.000 0.248 2222 V C -0.193 175.704 176.094 -0.329 0.000 1.053 2222 V CA 2.744 64.865 62.300 -0.299 0.000 1.027 2222 V CB -1.565 29.998 31.823 -0.434 0.000 0.646 2222 V HN 0.457 nan 8.190 nan 0.000 0.447 2223 P HA -0.139 nan 4.420 nan 0.000 0.215 2223 P C 1.501 178.644 177.300 -0.262 0.000 1.157 2223 P CA 1.339 64.143 63.100 -0.494 0.000 0.868 2223 P CB -0.009 31.238 31.700 -0.754 0.000 0.788 2224 E N -0.604 119.475 120.200 -0.201 0.000 2.118 2224 E HA -0.131 4.219 4.350 0.000 0.000 0.195 2224 E C 2.034 178.559 176.600 -0.125 0.000 0.992 2224 E CA 0.967 57.280 56.400 -0.146 0.000 0.804 2224 E CB -1.206 28.418 29.700 -0.126 0.000 0.741 2224 E HN 0.001 nan 8.360 nan 0.000 0.458 2225 V N 0.716 120.559 119.914 -0.119 0.000 2.295 2225 V HA -0.256 3.864 4.120 0.000 0.000 0.246 2225 V C 2.136 178.179 176.094 -0.085 0.000 1.049 2225 V CA 1.645 63.882 62.300 -0.106 0.000 1.024 2225 V CB -0.374 31.415 31.823 -0.057 0.000 0.648 2225 V HN 0.269 nan 8.190 nan 0.000 0.447 2226 I N -0.524 120.011 120.570 -0.059 0.000 2.208 2226 I HA -0.230 3.940 4.170 0.000 0.000 0.245 2226 I C 2.344 178.434 176.117 -0.045 0.000 1.097 2226 I CA 1.337 62.616 61.300 -0.035 0.000 1.363 2226 I CB -0.362 37.602 38.000 -0.060 0.000 1.051 2226 I HN 0.136 nan 8.210 nan 0.000 0.413 2227 V N 0.752 120.615 119.914 -0.086 0.000 2.427 2227 V HA -0.259 3.861 4.120 0.000 0.000 0.248 2227 V C 2.626 178.684 176.094 -0.060 0.000 1.051 2227 V CA 1.854 64.102 62.300 -0.087 0.000 1.048 2227 V CB -0.835 30.904 31.823 -0.139 0.000 0.666 2227 V HN 0.492 nan 8.190 nan 0.000 0.456 2228 A N -0.200 122.575 122.820 -0.075 0.000 1.898 2228 A HA -0.171 4.149 4.320 0.000 0.000 0.216 2228 A C 2.342 179.901 177.584 -0.041 0.000 1.181 2228 A CA 1.330 53.329 52.037 -0.063 0.000 0.620 2228 A CB -0.389 18.570 19.000 -0.067 0.000 0.819 2228 A HN 0.381 nan 8.150 nan 0.000 0.442 2229 R N -0.805 119.672 120.500 -0.039 0.000 2.090 2229 R HA -0.092 4.248 4.340 0.000 0.000 0.228 2229 R C 2.134 178.446 176.300 0.021 0.000 1.110 2229 R CA 1.449 57.532 56.100 -0.028 0.000 0.973 2229 R CB -1.182 29.089 30.300 -0.048 0.000 0.869 2229 R HN 0.867 nan 8.270 nan 0.000 0.440 2230 H N 0.604 119.643 119.070 -0.052 0.000 2.352 2230 H HA -0.120 4.436 4.556 0.000 0.000 0.299 2230 H C 1.138 176.458 175.328 -0.014 0.000 1.097 2230 H CA 1.897 57.926 56.048 -0.032 0.000 1.311 2230 H CB 0.174 29.910 29.762 -0.044 0.000 1.377 2230 H HN 0.305 nan 8.280 nan 0.000 0.504 2231 C N -0.001 119.254 119.300 -0.074 0.000 2.480 2231 C HA 0.572 5.032 4.460 0.000 0.000 0.317 2231 C C 1.667 176.630 174.990 -0.046 0.000 1.300 2231 C CA 0.170 59.132 59.018 -0.094 0.000 1.706 2231 C CB -0.891 26.831 27.740 -0.029 0.000 1.840 2231 C HN 0.768 nan 8.230 nan 0.000 0.596 2232 G N 0.977 109.746 108.800 -0.052 0.000 2.162 2232 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 2232 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 2232 G C -0.098 174.791 174.900 -0.018 0.000 0.976 2232 G CA 0.364 45.445 45.100 -0.032 0.000 0.655 2232 G HN 0.702 nan 8.290 nan 0.000 0.533 2233 L N 0.192 121.404 121.223 -0.018 0.000 2.439 2233 L HA 0.434 4.774 4.340 0.000 0.000 0.269 2233 L C 1.284 178.141 176.870 -0.022 0.000 1.179 2233 L CA -0.742 54.092 54.840 -0.011 0.000 0.828 2233 L CB 0.641 42.698 42.059 -0.004 0.000 1.106 2233 L HN 0.311 nan 8.230 nan 0.000 0.467 2234 R N 1.619 122.114 120.500 -0.010 0.000 2.441 2234 R HA 0.531 4.871 4.340 0.000 0.000 0.284 2234 R C -1.313 174.985 176.300 -0.005 0.000 1.070 2234 R CA -0.398 55.698 56.100 -0.006 0.000 1.047 2234 R CB 1.051 31.356 30.300 0.009 0.000 1.016 2234 R HN 0.446 nan 8.270 nan 0.000 0.477 2235 V N 5.420 125.325 119.914 -0.015 0.000 2.656 2235 V HA 0.530 4.650 4.120 0.000 0.000 0.307 2235 V C -1.099 175.063 176.094 0.113 0.000 1.051 2235 V CA -0.646 61.643 62.300 -0.018 0.000 0.893 2235 V CB 1.549 33.264 31.823 -0.179 0.000 0.999 2235 V HN 0.739 nan 8.190 nan 0.000 0.426 2236 F N 2.940 122.891 119.950 0.002 0.000 2.601 2236 F HA 0.953 5.480 4.527 0.000 0.000 0.309 2236 F C -0.067 175.755 175.800 0.036 0.000 1.089 2236 F CA -0.157 57.881 58.000 0.064 0.000 0.940 2236 F CB 2.207 41.216 39.000 0.015 0.000 1.273 2236 F HN 0.742 nan 8.300 nan 0.000 0.450 2237 G N 3.014 111.163 108.800 -1.085 0.000 2.576 2237 G HA2 0.647 4.607 3.960 0.000 0.000 0.290 2237 G HA3 0.647 4.607 3.960 0.000 0.000 0.290 2237 G C -2.231 172.172 174.900 -0.828 0.000 1.442 2237 G CA -0.397 44.068 45.100 -1.059 0.000 0.792 2237 G HN 1.141 nan 8.290 nan 0.000 0.491 2238 F N -1.678 117.953 119.950 -0.533 0.000 2.713 2238 F HA 0.863 5.390 4.527 0.000 0.000 0.311 2238 F C -0.559 175.113 175.800 -0.214 0.000 1.141 2238 F CA -1.525 56.282 58.000 -0.323 0.000 0.939 2238 F CB 1.305 40.181 39.000 -0.208 0.000 1.325 2238 F HN 0.464 nan 8.300 nan 0.000 0.453 2239 S N 1.986 117.782 115.700 0.161 0.000 2.482 2239 S HA 0.554 5.024 4.470 0.000 0.000 0.303 2239 S C -1.117 173.586 174.600 0.171 0.000 1.091 2239 S CA -0.723 57.548 58.200 0.118 0.000 1.057 2239 S CB 1.628 64.899 63.200 0.119 0.000 1.031 2239 S HN 0.802 nan 8.310 nan 0.000 0.485 2240 L N 4.553 125.879 121.223 0.172 0.000 2.283 2240 L HA 0.370 4.710 4.340 0.000 0.000 0.287 2240 L C -0.907 176.016 176.870 0.087 0.000 1.073 2240 L CA -0.607 54.308 54.840 0.125 0.000 0.822 2240 L CB 0.205 42.353 42.059 0.148 0.000 1.186 2240 L HN 0.567 nan 8.230 nan 0.000 0.436 2241 I N 5.460 126.053 120.570 0.040 0.000 2.471 2241 I HA -0.021 4.149 4.170 0.000 0.000 0.294 2241 I C 1.654 177.820 176.117 0.081 0.000 1.123 2241 I CA 0.306 61.647 61.300 0.068 0.000 1.336 2241 I CB 0.526 38.554 38.000 0.046 0.000 1.430 2241 I HN 0.599 nan 8.210 nan 0.000 0.533 2242 T N 2.394 117.007 114.554 0.099 0.000 3.081 2242 T HA 0.130 4.480 4.350 0.000 0.000 0.250 2242 T C 0.403 175.166 174.700 0.106 0.000 1.100 2242 T CA -0.181 61.979 62.100 0.100 0.000 1.038 2242 T CB -0.307 68.628 68.868 0.113 0.000 0.962 2242 T HN 0.686 nan 8.240 nan 0.000 0.516 2243 N N -0.803 117.964 118.700 0.111 0.000 2.745 2243 N HA 0.396 5.136 4.740 0.000 0.000 0.256 2243 N C -1.967 173.605 175.510 0.103 0.000 1.268 2243 N CA -1.250 51.867 53.050 0.111 0.000 0.887 2243 N CB 1.416 39.991 38.487 0.148 0.000 1.575 2243 N HN -0.059 nan 8.380 nan 0.000 0.496 2244 K N 0.947 121.402 120.400 0.091 0.000 2.183 2244 K HA 0.428 4.748 4.320 0.000 0.000 0.274 2244 K C -0.695 175.942 176.600 0.061 0.000 1.009 2244 K CA -0.896 55.438 56.287 0.077 0.000 0.888 2244 K CB 2.096 34.637 32.500 0.069 0.000 1.078 2244 K HN 0.310 nan 8.250 nan 0.000 0.459 2245 V N 4.080 124.016 119.914 0.037 0.000 2.811 2245 V HA 0.021 4.141 4.120 0.000 0.000 0.302 2245 V C 0.380 176.489 176.094 0.025 0.000 1.063 2245 V CA -0.302 62.014 62.300 0.026 0.000 1.088 2245 V CB 0.706 32.522 31.823 -0.012 0.000 0.982 2245 V HN 0.595 nan 8.190 nan 0.000 0.485 2246 I N 6.671 127.262 120.570 0.034 0.000 2.389 2246 I HA 0.096 4.266 4.170 0.000 0.000 0.295 2246 I C 0.817 176.942 176.117 0.012 0.000 1.117 2246 I CA 0.420 61.736 61.300 0.027 0.000 1.317 2246 I CB 0.789 38.810 38.000 0.035 0.000 1.431 2246 I HN 0.613 nan 8.210 nan 0.000 0.521 2247 M N 3.809 123.411 119.600 0.004 0.000 2.495 2247 M HA 0.078 4.558 4.480 0.000 0.000 0.237 2247 M C 0.341 176.641 176.300 -0.001 0.000 1.131 2247 M CA 0.320 55.618 55.300 -0.004 0.000 1.032 2247 M CB -0.807 31.785 32.600 -0.012 0.000 1.513 2247 M HN 0.592 nan 8.290 nan 0.000 0.488 2265 K N -0.549 119.882 120.400 0.052 0.000 2.439 2265 K HA 0.040 4.360 4.320 0.000 0.000 0.197 2265 K C 1.874 178.501 176.600 0.046 0.000 1.041 2265 K CA 1.659 57.976 56.287 0.051 0.000 0.970 2265 K CB 0.036 32.561 32.500 0.042 0.000 0.773 2265 K HN 0.328 nan 8.250 nan 0.000 0.479 2266 Q N 1.457 121.282 119.800 0.041 0.000 2.020 2266 Q HA -0.014 4.326 4.340 0.000 0.000 0.202 2266 Q C 1.805 177.828 176.000 0.039 0.000 0.982 2266 Q CA 1.787 57.611 55.803 0.033 0.000 0.838 2266 Q CB -0.319 28.436 28.738 0.029 0.000 0.899 2266 Q HN 0.500 nan 8.270 nan 0.000 0.423 2267 A N -0.114 122.737 122.820 0.050 0.000 2.281 2267 A HA 0.461 4.781 4.320 0.000 0.000 0.231 2267 A C 1.294 178.927 177.584 0.083 0.000 1.317 2267 A CA 0.644 52.719 52.037 0.063 0.000 0.959 2267 A CB -0.697 18.342 19.000 0.064 0.000 0.900 2267 A HN 0.337 nan 8.150 nan 0.000 0.497 2268 A N 0.185 123.051 122.820 0.076 0.000 1.972 2268 A HA 0.060 4.380 4.320 0.000 0.000 0.219 2268 A C 2.008 179.648 177.584 0.094 0.000 1.467 2268 A CA 0.834 52.926 52.037 0.092 0.000 0.631 2268 A CB -0.538 18.507 19.000 0.075 0.000 1.143 2268 A HN 0.525 nan 8.150 nan 0.000 0.502 2269 Q N 0.965 120.806 119.800 0.067 0.000 2.522 2269 Q HA -0.205 4.135 4.340 0.000 0.000 0.216 2269 Q C 1.361 177.400 176.000 0.065 0.000 0.986 2269 Q CA 2.076 57.916 55.803 0.061 0.000 0.901 2269 Q CB -0.510 28.250 28.738 0.036 0.000 0.954 2269 Q HN 0.773 nan 8.270 nan 0.000 0.502 2270 K N -0.085 120.357 120.400 0.070 0.000 2.128 2270 K HA -0.006 4.314 4.320 0.000 0.000 0.202 2270 K C 2.003 178.697 176.600 0.157 0.000 1.050 2270 K CA 0.287 56.610 56.287 0.059 0.000 0.966 2270 K CB 0.049 32.566 32.500 0.028 0.000 0.759 2270 K HN 0.214 nan 8.250 nan 0.000 0.454 2271 L N 2.389 123.723 121.223 0.185 0.000 2.056 2271 L HA -0.108 4.232 4.340 0.000 0.000 0.207 2271 L C 1.891 178.953 176.870 0.320 0.000 1.078 2271 L CA 1.773 56.781 54.840 0.280 0.000 0.749 2271 L CB -0.241 41.989 42.059 0.286 0.000 0.901 2271 L HN 0.224 nan 8.230 nan 0.000 0.433 2272 E N -1.312 119.019 120.200 0.219 0.000 2.106 2272 E HA -0.272 4.078 4.350 0.000 0.000 0.192 2272 E C 2.033 178.732 176.600 0.165 0.000 0.984 2272 E CA 1.070 57.575 56.400 0.175 0.000 0.806 2272 E CB -0.111 29.658 29.700 0.116 0.000 0.750 2272 E HN 0.585 nan 8.360 nan 0.000 0.458 2273 Q N -0.019 119.879 119.800 0.162 0.000 2.137 2273 Q HA -0.147 4.193 4.340 0.000 0.000 0.198 2273 Q C 1.957 178.089 176.000 0.219 0.000 0.960 2273 Q CA 0.712 56.598 55.803 0.139 0.000 0.847 2273 Q CB -0.016 28.774 28.738 0.088 0.000 0.915 2273 Q HN 0.208 nan 8.270 nan 0.000 0.448 2274 F N 0.688 120.689 119.950 0.085 0.000 2.075 2274 F HA -0.182 4.345 4.527 0.000 0.000 0.297 2274 F C 1.961 177.840 175.800 0.133 0.000 1.113 2274 F CA 1.159 59.225 58.000 0.110 0.000 1.218 2274 F CB -0.669 38.411 39.000 0.134 0.000 0.984 2274 F HN -0.120 nan 8.300 nan 0.000 0.472 2275 V N -0.381 119.645 119.914 0.188 0.000 2.295 2275 V HA -0.300 3.820 4.120 0.000 0.000 0.246 2275 V C 2.545 178.668 176.094 0.048 0.000 1.049 2275 V CA 2.086 64.453 62.300 0.111 0.000 1.024 2275 V CB -1.145 30.817 31.823 0.232 0.000 0.648 2275 V HN 0.346 nan 8.190 nan 0.000 0.447 2276 S N -0.018 115.728 115.700 0.076 0.000 2.370 2276 S HA -0.182 4.288 4.470 0.000 0.000 0.226 2276 S C 1.894 176.507 174.600 0.021 0.000 1.033 2276 S CA 1.423 59.650 58.200 0.044 0.000 1.011 2276 S CB -0.408 62.823 63.200 0.052 0.000 0.852 2276 S HN 0.322 nan 8.310 nan 0.000 0.457 2277 L N 1.450 122.695 121.223 0.037 0.000 2.046 2277 L HA 0.021 4.361 4.340 0.000 0.000 0.208 2277 L C 1.981 178.831 176.870 -0.033 0.000 1.077 2277 L CA 1.403 56.258 54.840 0.025 0.000 0.747 2277 L CB -1.201 40.910 42.059 0.086 0.000 0.896 2277 L HN 0.270 nan 8.230 nan 0.000 0.432 2278 L N -1.197 119.961 121.223 -0.109 0.000 2.265 2278 L HA -0.203 4.137 4.340 0.000 0.000 0.215 2278 L C 2.458 179.244 176.870 -0.142 0.000 1.117 2278 L CA 1.234 55.949 54.840 -0.208 0.000 0.782 2278 L CB -1.096 40.710 42.059 -0.422 0.000 0.914 2278 L HN 0.296 nan 8.230 nan 0.000 0.441 2279 M N -0.471 119.081 119.600 -0.080 0.000 2.082 2279 M HA -0.210 4.270 4.480 0.000 0.000 0.258 2279 M C 2.369 178.640 176.300 -0.049 0.000 1.069 2279 M CA 2.017 57.286 55.300 -0.053 0.000 1.102 2279 M CB -1.336 31.249 32.600 -0.025 0.000 1.336 2279 M HN 0.288 nan 8.290 nan 0.000 0.404 2280 A N -0.977 121.819 122.820 -0.040 0.000 2.125 2280 A HA -0.065 4.255 4.320 0.000 0.000 0.219 2280 A C 2.304 179.864 177.584 -0.040 0.000 1.156 2280 A CA 1.733 53.752 52.037 -0.031 0.000 0.671 2280 A CB -0.580 18.409 19.000 -0.018 0.000 0.794 2280 A HN 0.517 nan 8.150 nan 0.000 0.459 2281 S N -0.578 115.083 115.700 -0.065 0.000 2.558 2281 S HA 0.253 4.723 4.470 0.000 0.000 0.217 2281 S C 0.534 175.088 174.600 -0.076 0.000 0.975 2281 S CA -0.267 57.890 58.200 -0.071 0.000 0.912 2281 S CB -0.205 62.934 63.200 -0.101 0.000 0.776 2281 S HN 0.496 nan 8.310 nan 0.000 0.526 2282 I N 4.598 125.124 120.570 -0.075 0.000 2.452 2282 I HA 0.131 4.301 4.170 0.000 0.000 0.287 2282 I C -2.048 174.048 176.117 -0.035 0.000 1.079 2282 I CA -2.033 59.231 61.300 -0.060 0.000 1.387 2282 I CB 0.513 38.482 38.000 -0.052 0.000 1.404 2282 I HN -0.013 nan 8.210 nan 0.000 0.522 2283 P HA 0.101 nan 4.420 nan 0.000 0.266 2283 P C 0.099 177.393 177.300 -0.010 0.000 1.195 2283 P CA 0.168 63.259 63.100 -0.015 0.000 0.768 2283 P CB 0.833 32.526 31.700 -0.011 0.000 0.838 2284 V N 0.000 119.910 119.914 -0.006 0.000 2.409 2284 V HA 0.000 4.120 4.120 0.000 0.000 0.244 2284 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 2284 V CB 0.000 31.823 31.823 0.000 0.000 1.184 2284 V HN 0.000 nan 8.190 nan 0.000 0.556