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 1wvi_1_B DATA FIRST_RESID 2002 DATA SEQUENCE TYKGYLIDLD GTIYKGKDRI PAGEDFVKRL QERQLPYILV TNNTTRTPEM DATA SEQUENCE VQEMLATSFN IKTPLETIYT ATLATIDYMN DMKRGKTAYV IGETGLKKAV DATA SEQUENCE AEAGYREDSE NPAYVVVGLD TNLTYEKLTL ATLAIQKGAV FIGTNPDLNI DATA SEQUENCE PTERGLLPGA GAILFLLEKA TRVKPIIIGK PEAVIMNKAL DRLGVKRHEA DATA SEQUENCE IMVGDNYLTD ITAGIKNDIA TLLVTTGFTK PEEVPALPIQ PDFVLSSLAE DATA SEQUENCE WDF 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 2002 T HA 0.000 nan 4.350 nan 0.000 0.228 2002 T C 0.000 174.584 174.700 -0.193 0.000 1.109 2002 T CA 0.000 62.019 62.100 -0.136 0.000 1.349 2002 T CB 0.000 68.858 68.868 -0.017 0.000 0.612 2003 Y N 2.408 122.814 120.300 0.177 0.000 2.316 2003 Y HA 0.389 4.939 4.550 -0.000 0.000 0.331 2003 Y C 1.640 177.620 175.900 0.134 0.000 1.083 2003 Y CA -0.553 57.608 58.100 0.101 0.000 1.206 2003 Y CB 1.084 39.560 38.460 0.027 0.000 1.195 2003 Y HN 0.424 nan 8.280 nan 0.000 0.497 2004 K N 1.944 122.455 120.400 0.186 0.000 2.352 2004 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 2004 K C 0.533 177.246 176.600 0.189 0.000 1.038 2004 K CA 0.268 56.657 56.287 0.169 0.000 1.023 2004 K CB 0.778 33.322 32.500 0.073 0.000 0.840 2004 K HN 0.802 nan 8.250 nan 0.000 0.519 2005 G N 0.247 109.109 108.800 0.103 0.000 2.659 2005 G HA2 0.552 4.512 3.960 -0.000 0.000 0.296 2005 G HA3 0.552 4.512 3.960 -0.000 0.000 0.296 2005 G C -1.814 173.062 174.900 -0.040 0.000 1.369 2005 G CA -0.427 44.753 45.100 0.133 0.000 0.937 2005 G HN -0.091 nan 8.290 nan 0.000 0.485 2006 Y N 0.271 120.667 120.300 0.160 0.000 2.361 2006 Y HA 0.541 5.091 4.550 -0.000 0.000 0.337 2006 Y C 0.120 176.101 175.900 0.136 0.000 0.965 2006 Y CA -0.796 57.392 58.100 0.148 0.000 1.091 2006 Y CB 2.325 40.917 38.460 0.220 0.000 1.182 2006 Y HN 0.273 nan 8.280 nan 0.000 0.450 2007 L N 5.568 126.881 121.223 0.150 0.000 2.296 2007 L HA 0.638 4.978 4.340 -0.000 0.000 0.286 2007 L C -0.764 176.175 176.870 0.116 0.000 1.023 2007 L CA -0.508 54.400 54.840 0.113 0.000 0.812 2007 L CB 1.168 43.247 42.059 0.034 0.000 1.223 2007 L HN 0.542 nan 8.230 nan 0.000 0.421 2008 I N 1.655 122.308 120.570 0.139 0.000 2.533 2008 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 2008 I C -0.578 175.571 176.117 0.053 0.000 1.056 2008 I CA -0.721 60.635 61.300 0.093 0.000 1.057 2008 I CB 2.386 40.482 38.000 0.160 0.000 1.240 2008 I HN 0.467 nan 8.210 nan 0.000 0.423 2009 D N 4.291 124.684 120.400 -0.011 0.000 2.362 2009 D HA 0.294 4.934 4.640 -0.000 0.000 0.242 2009 D C 0.396 176.675 176.300 -0.035 0.000 1.132 2009 D CA 0.150 54.130 54.000 -0.033 0.000 0.907 2009 D CB 1.271 42.026 40.800 -0.076 0.000 1.195 2009 D HN 0.386 nan 8.370 nan 0.000 0.429 2010 L N 0.925 122.130 121.223 -0.030 0.000 2.140 2010 L HA 0.127 4.466 4.340 -0.000 0.000 0.201 2010 L C 0.621 177.317 176.870 -0.290 0.000 1.191 2010 L CA 0.002 54.839 54.840 -0.006 0.000 0.825 2010 L CB -0.377 41.758 42.059 0.127 0.000 0.970 2010 L HN 0.457 nan 8.230 nan 0.000 0.477 2011 D N -0.423 119.736 120.400 -0.401 0.000 2.450 2011 D HA 0.288 4.928 4.640 -0.000 0.000 0.247 2011 D C 0.775 176.779 176.300 -0.494 0.000 1.162 2011 D CA 1.408 54.934 54.000 -0.789 0.000 0.879 2011 D CB 0.935 41.485 40.800 -0.418 0.000 1.163 2011 D HN 0.553 nan 8.370 nan 0.000 0.472 2012 G N 2.390 110.864 108.800 -0.544 0.000 2.234 2012 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.235 2012 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.235 2012 G C 1.141 175.902 174.900 -0.230 0.000 0.997 2012 G CA 0.597 45.530 45.100 -0.279 0.000 0.623 2012 G HN 0.574 nan 8.290 nan 0.000 0.514 2013 T N 0.385 114.775 114.554 -0.273 0.000 3.111 2013 T HA 0.281 4.631 4.350 -0.000 0.000 0.236 2013 T C 2.142 176.733 174.700 -0.180 0.000 0.984 2013 T CA 1.126 63.104 62.100 -0.203 0.000 1.195 2013 T CB 0.007 68.767 68.868 -0.181 0.000 0.929 2013 T HN 0.827 nan 8.240 nan 0.000 0.431 2014 I N -0.277 120.203 120.570 -0.150 0.000 3.875 2014 I HA 0.459 4.629 4.170 -0.000 0.000 0.329 2014 I C -0.194 175.915 176.117 -0.014 0.000 1.295 2014 I CA -0.654 60.620 61.300 -0.042 0.000 1.129 2014 I CB -0.065 37.964 38.000 0.049 0.000 1.008 2014 I HN 0.361 nan 8.210 nan 0.000 0.413 2015 Y N -0.603 119.525 120.300 -0.287 0.000 2.889 2015 Y HA 0.519 5.069 4.550 -0.000 0.000 0.379 2015 Y C -1.783 173.971 175.900 -0.243 0.000 1.179 2015 Y CA -1.866 55.995 58.100 -0.398 0.000 1.178 2015 Y CB 0.488 38.322 38.460 -1.043 0.000 1.460 2015 Y HN 0.010 nan 8.280 nan 0.000 0.472 2016 K N 2.445 122.765 120.400 -0.133 0.000 2.637 2016 K HA 0.566 4.886 4.320 -0.000 0.000 0.248 2016 K C 0.433 177.066 176.600 0.055 0.000 0.971 2016 K CA 0.134 56.333 56.287 -0.146 0.000 0.858 2016 K CB 1.291 33.743 32.500 -0.081 0.000 1.170 2016 K HN 1.748 nan 8.250 nan 0.000 0.443 2017 G N 3.914 112.755 108.800 0.069 0.000 2.583 2017 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.292 2017 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.292 2017 G C 0.256 175.348 174.900 0.320 0.000 1.203 2017 G CA 0.515 45.717 45.100 0.169 0.000 0.987 2017 G HN 0.588 nan 8.290 nan 0.000 0.554 2018 K N 1.805 122.350 120.400 0.241 0.000 2.361 2018 K HA 0.258 4.578 4.320 -0.000 0.000 0.196 2018 K C 0.488 177.273 176.600 0.309 0.000 1.039 2018 K CA 0.822 57.264 56.287 0.258 0.000 1.001 2018 K CB 0.038 32.621 32.500 0.138 0.000 0.795 2018 K HN 0.502 nan 8.250 nan 0.000 0.495 2019 D N 1.600 122.153 120.400 0.256 0.000 2.339 2019 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 2019 D C 0.281 176.758 176.300 0.296 0.000 1.115 2019 D CA -0.093 54.042 54.000 0.225 0.000 0.917 2019 D CB 0.754 41.632 40.800 0.130 0.000 1.192 2019 D HN 0.099 nan 8.370 nan 0.000 0.428 2020 R N 0.521 121.184 120.500 0.272 0.000 2.782 2020 R HA 0.755 5.094 4.340 -0.000 0.000 0.258 2020 R C -0.405 175.964 176.300 0.116 0.000 1.055 2020 R CA -0.920 55.325 56.100 0.240 0.000 1.065 2020 R CB 1.120 31.659 30.300 0.398 0.000 1.172 2020 R HN 0.312 nan 8.270 nan 0.000 0.510 2021 I N 1.804 122.416 120.570 0.070 0.000 2.495 2021 I HA 0.216 4.386 4.170 -0.000 0.000 0.277 2021 I C -1.664 174.486 176.117 0.055 0.000 1.045 2021 I CA -2.408 58.916 61.300 0.039 0.000 1.135 2021 I CB 2.261 40.256 38.000 -0.009 0.000 1.241 2021 I HN 0.481 nan 8.210 nan 0.000 0.469 2022 P HA -0.270 nan 4.420 nan 0.000 0.216 2022 P C 1.415 178.756 177.300 0.069 0.000 1.150 2022 P CA 1.623 64.765 63.100 0.071 0.000 0.843 2022 P CB 0.417 32.155 31.700 0.062 0.000 0.787 2023 A N 0.269 123.124 122.820 0.058 0.000 1.933 2023 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 2023 A C 2.643 180.281 177.584 0.090 0.000 1.175 2023 A CA 2.067 54.146 52.037 0.070 0.000 0.628 2023 A CB -1.856 17.170 19.000 0.043 0.000 0.814 2023 A HN 0.318 nan 8.150 nan 0.000 0.444 2024 G N -0.295 108.533 108.800 0.047 0.000 2.421 2024 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.216 2024 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.216 2024 G C 1.396 176.363 174.900 0.111 0.000 1.171 2024 G CA 0.958 46.084 45.100 0.043 0.000 0.775 2024 G HN 0.654 nan 8.290 nan 0.000 0.543 2025 E N 0.297 120.552 120.200 0.091 0.000 2.085 2025 E HA -0.151 4.198 4.350 -0.000 0.000 0.194 2025 E C 2.095 178.746 176.600 0.086 0.000 0.994 2025 E CA 1.187 57.643 56.400 0.093 0.000 0.801 2025 E CB -0.144 29.616 29.700 0.100 0.000 0.743 2025 E HN 0.477 nan 8.360 nan 0.000 0.453 2026 D N 0.022 120.481 120.400 0.098 0.000 2.144 2026 D HA -0.182 4.458 4.640 -0.000 0.000 0.199 2026 D C 1.633 177.994 176.300 0.103 0.000 0.984 2026 D CA 0.694 54.746 54.000 0.086 0.000 0.834 2026 D CB -0.139 40.718 40.800 0.096 0.000 0.955 2026 D HN 0.109 nan 8.370 nan 0.000 0.465 2027 F N 0.187 120.140 119.950 0.006 0.000 2.095 2027 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 2027 F C 2.109 177.863 175.800 -0.076 0.000 1.104 2027 F CA 1.262 59.272 58.000 0.016 0.000 1.232 2027 F CB -0.181 38.806 39.000 -0.023 0.000 0.987 2027 F HN -0.099 nan 8.300 nan 0.000 0.475 2028 V N 0.548 120.454 119.914 -0.014 0.000 2.307 2028 V HA -0.302 3.817 4.120 -0.000 0.000 0.245 2028 V C 2.260 178.172 176.094 -0.303 0.000 1.045 2028 V CA 2.191 64.332 62.300 -0.264 0.000 1.024 2028 V CB -0.711 31.028 31.823 -0.141 0.000 0.651 2028 V HN 0.275 nan 8.190 nan 0.000 0.449 2029 K N -0.117 120.194 120.400 -0.147 0.000 2.063 2029 K HA -0.179 4.140 4.320 -0.000 0.000 0.208 2029 K C 2.401 178.888 176.600 -0.188 0.000 1.048 2029 K CA 1.479 57.692 56.287 -0.124 0.000 0.928 2029 K CB -0.285 32.186 32.500 -0.049 0.000 0.713 2029 K HN 0.367 nan 8.250 nan 0.000 0.442 2030 R N 0.819 121.191 120.500 -0.214 0.000 2.081 2030 R HA -0.086 4.253 4.340 -0.000 0.000 0.235 2030 R C 2.415 178.387 176.300 -0.548 0.000 1.131 2030 R CA 1.167 57.093 56.100 -0.291 0.000 0.960 2030 R CB -0.427 29.778 30.300 -0.159 0.000 0.856 2030 R HN 0.172 nan 8.270 nan 0.000 0.436 2031 L N 0.674 121.488 121.223 -0.682 0.000 2.042 2031 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 2031 L C 2.566 179.187 176.870 -0.415 0.000 1.076 2031 L CA 1.550 55.941 54.840 -0.747 0.000 0.749 2031 L CB -0.396 41.182 42.059 -0.801 0.000 0.893 2031 L HN 0.263 nan 8.230 nan 0.000 0.432 2032 Q N -0.344 119.271 119.800 -0.308 0.000 2.084 2032 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 2032 Q C 2.122 178.050 176.000 -0.120 0.000 0.978 2032 Q CA 1.589 57.321 55.803 -0.118 0.000 0.844 2032 Q CB -0.092 28.606 28.738 -0.067 0.000 0.898 2032 Q HN 0.537 nan 8.270 nan 0.000 0.426 2033 E N 0.131 120.230 120.200 -0.169 0.000 2.077 2033 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 2033 E C 1.787 178.297 176.600 -0.151 0.000 0.989 2033 E CA 0.669 56.985 56.400 -0.139 0.000 0.800 2033 E CB 0.137 29.754 29.700 -0.138 0.000 0.746 2033 E HN 0.189 nan 8.360 nan 0.000 0.452 2034 R N 0.419 120.777 120.500 -0.237 0.000 2.299 2034 R HA 0.041 4.381 4.340 -0.000 0.000 0.197 2034 R C 0.305 176.523 176.300 -0.137 0.000 0.971 2034 R CA 0.230 56.202 56.100 -0.215 0.000 1.030 2034 R CB -0.241 29.844 30.300 -0.359 0.000 0.932 2034 R HN 0.282 nan 8.270 nan 0.000 0.477 2035 Q N 0.425 120.158 119.800 -0.111 0.000 2.475 2035 Q HA -0.158 4.182 4.340 -0.000 0.000 0.280 2035 Q C -0.863 175.131 176.000 -0.010 0.000 1.234 2035 Q CA 0.410 56.190 55.803 -0.039 0.000 0.873 2035 Q CB -1.844 26.879 28.738 -0.025 0.000 1.256 2035 Q HN 0.327 nan 8.270 nan 0.000 0.475 2036 L N 2.115 123.316 121.223 -0.037 0.000 2.290 2036 L HA 0.383 4.723 4.340 -0.000 0.000 0.284 2036 L C -1.416 175.563 176.870 0.181 0.000 1.078 2036 L CA -1.874 52.995 54.840 0.049 0.000 0.815 2036 L CB 0.366 42.411 42.059 -0.024 0.000 1.162 2036 L HN -0.063 nan 8.230 nan 0.000 0.435 2037 P HA 0.095 nan 4.420 nan 0.000 0.269 2037 P C -1.559 175.926 177.300 0.308 0.000 1.209 2037 P CA 0.167 63.365 63.100 0.164 0.000 0.776 2037 P CB 0.601 32.347 31.700 0.077 0.000 0.876 2038 Y N 0.042 120.393 120.300 0.086 0.000 2.592 2038 Y HA 0.728 5.278 4.550 -0.000 0.000 0.334 2038 Y C -1.823 174.126 175.900 0.083 0.000 1.136 2038 Y CA -1.575 56.600 58.100 0.125 0.000 1.042 2038 Y CB 0.675 39.213 38.460 0.130 0.000 1.325 2038 Y HN 0.092 nan 8.280 nan 0.000 0.457 2039 I N 3.392 124.033 120.570 0.117 0.000 2.533 2039 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 2039 I C -1.385 174.836 176.117 0.173 0.000 1.056 2039 I CA -0.780 60.541 61.300 0.036 0.000 1.057 2039 I CB 2.081 40.077 38.000 -0.005 0.000 1.240 2039 I HN 0.508 nan 8.210 nan 0.000 0.423 2040 L N 6.925 128.254 121.223 0.176 0.000 2.265 2040 L HA 0.501 4.840 4.340 -0.000 0.000 0.288 2040 L C -0.266 176.692 176.870 0.145 0.000 1.058 2040 L CA -0.495 54.455 54.840 0.182 0.000 0.809 2040 L CB 0.839 43.013 42.059 0.191 0.000 1.179 2040 L HN 0.198 nan 8.230 nan 0.000 0.429 2041 V N 2.619 122.602 119.914 0.115 0.000 2.384 2041 V HA 0.619 4.738 4.120 -0.000 0.000 0.287 2041 V C 0.303 176.419 176.094 0.038 0.000 1.020 2041 V CA -0.448 61.909 62.300 0.095 0.000 0.850 2041 V CB 1.802 33.681 31.823 0.094 0.000 0.987 2041 V HN 0.875 nan 8.190 nan 0.000 0.436 2042 T N 2.448 117.009 114.554 0.011 0.000 2.900 2042 T HA 0.354 4.704 4.350 -0.000 0.000 0.295 2042 T C 0.538 175.205 174.700 -0.056 0.000 1.044 2042 T CA -0.519 61.570 62.100 -0.018 0.000 0.995 2042 T CB 1.509 70.381 68.868 0.007 0.000 1.072 2042 T HN 0.705 nan 8.240 nan 0.000 0.473 2043 N N 2.407 121.068 118.700 -0.065 0.000 2.398 2043 N HA 0.049 4.789 4.740 -0.000 0.000 0.188 2043 N C 0.227 175.693 175.510 -0.073 0.000 1.122 2043 N CA -0.206 52.794 53.050 -0.082 0.000 0.866 2043 N CB 0.093 38.527 38.487 -0.088 0.000 0.970 2043 N HN 0.559 nan 8.380 nan 0.000 0.462 2044 N N 0.680 119.348 118.700 -0.052 0.000 2.454 2044 N HA -0.050 4.690 4.740 -0.000 0.000 0.260 2044 N C 0.853 176.334 175.510 -0.048 0.000 1.218 2044 N CA 0.448 53.476 53.050 -0.037 0.000 0.904 2044 N CB 0.737 39.220 38.487 -0.006 0.000 1.065 2044 N HN 0.006 nan 8.380 nan 0.000 0.462 2045 T N -1.413 113.113 114.554 -0.047 0.000 3.085 2045 T HA 0.045 4.395 4.350 -0.000 0.000 0.264 2045 T C 1.410 176.087 174.700 -0.038 0.000 1.019 2045 T CA 0.373 62.441 62.100 -0.054 0.000 0.910 2045 T CB -0.279 68.551 68.868 -0.064 0.000 1.059 2045 T HN 0.584 nan 8.240 nan 0.000 0.542 2046 T N -0.189 114.352 114.554 -0.023 0.000 2.983 2046 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 2046 T C 0.989 175.685 174.700 -0.007 0.000 1.037 2046 T CA -0.224 61.868 62.100 -0.014 0.000 1.142 2046 T CB -0.124 68.742 68.868 -0.004 0.000 0.876 2046 T HN 0.257 nan 8.240 nan 0.000 0.455 2047 R N 2.754 123.254 120.500 0.000 0.000 2.349 2047 R HA 0.471 4.811 4.340 -0.000 0.000 0.299 2047 R C 0.397 176.697 176.300 0.001 0.000 1.027 2047 R CA -0.301 55.803 56.100 0.007 0.000 0.958 2047 R CB 1.251 31.564 30.300 0.023 0.000 1.047 2047 R HN 0.537 nan 8.270 nan 0.000 0.468 2048 T N 0.020 114.574 114.554 0.001 0.000 2.766 2048 T HA 0.135 4.485 4.350 -0.000 0.000 0.295 2048 T C -1.764 172.941 174.700 0.009 0.000 1.024 2048 T CA -1.535 60.565 62.100 -0.001 0.000 1.018 2048 T CB 0.934 69.803 68.868 0.001 0.000 1.002 2048 T HN 0.245 nan 8.240 nan 0.000 0.532 2049 P HA -0.069 nan 4.420 nan 0.000 0.215 2049 P C 1.302 178.618 177.300 0.027 0.000 1.153 2049 P CA 1.049 64.164 63.100 0.025 0.000 0.853 2049 P CB 0.026 31.745 31.700 0.031 0.000 0.788 2050 E N -0.951 119.261 120.200 0.020 0.000 2.058 2050 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 2050 E C 2.044 178.654 176.600 0.016 0.000 0.997 2050 E CA 1.435 57.845 56.400 0.017 0.000 0.801 2050 E CB -1.039 28.668 29.700 0.011 0.000 0.746 2050 E HN 0.250 nan 8.360 nan 0.000 0.450 2051 M N -0.071 119.537 119.600 0.013 0.000 2.080 2051 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 2051 M C 2.209 178.521 176.300 0.020 0.000 1.068 2051 M CA 1.172 56.479 55.300 0.012 0.000 1.109 2051 M CB -0.370 32.236 32.600 0.011 0.000 1.342 2051 M HN 0.011 nan 8.290 nan 0.000 0.405 2052 V N 0.293 120.226 119.914 0.032 0.000 2.295 2052 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 2052 V C 2.384 178.509 176.094 0.051 0.000 1.049 2052 V CA 2.218 64.548 62.300 0.050 0.000 1.024 2052 V CB -0.954 30.906 31.823 0.061 0.000 0.648 2052 V HN 0.569 nan 8.190 nan 0.000 0.447 2053 Q N 0.026 119.853 119.800 0.045 0.000 2.061 2053 Q HA -0.307 4.033 4.340 -0.000 0.000 0.204 2053 Q C 2.347 178.365 176.000 0.031 0.000 0.984 2053 Q CA 2.408 58.239 55.803 0.046 0.000 0.846 2053 Q CB -0.179 28.582 28.738 0.038 0.000 0.902 2053 Q HN 0.776 nan 8.270 nan 0.000 0.421 2054 E N 0.023 120.232 120.200 0.014 0.000 2.077 2054 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 2054 E C 2.120 178.704 176.600 -0.026 0.000 0.989 2054 E CA 1.291 57.688 56.400 -0.005 0.000 0.800 2054 E CB -0.206 29.488 29.700 -0.010 0.000 0.746 2054 E HN 0.475 nan 8.360 nan 0.000 0.452 2055 M N 0.517 120.105 119.600 -0.021 0.000 2.080 2055 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 2055 M C 2.043 178.309 176.300 -0.057 0.000 1.068 2055 M CA 1.482 56.748 55.300 -0.057 0.000 1.109 2055 M CB -0.104 32.490 32.600 -0.010 0.000 1.342 2055 M HN 0.219 nan 8.290 nan 0.000 0.405 2056 L N 0.179 121.433 121.223 0.051 0.000 2.012 2056 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 2056 L C 2.794 179.708 176.870 0.074 0.000 1.073 2056 L CA 1.455 56.382 54.840 0.144 0.000 0.748 2056 L CB -1.015 41.119 42.059 0.125 0.000 0.891 2056 L HN 0.440 nan 8.230 nan 0.000 0.431 2057 A N -0.817 122.015 122.820 0.021 0.000 1.897 2057 A HA -0.148 4.171 4.320 -0.000 0.000 0.215 2057 A C 2.345 179.898 177.584 -0.052 0.000 1.181 2057 A CA 2.083 54.120 52.037 0.001 0.000 0.620 2057 A CB -0.770 18.232 19.000 0.004 0.000 0.821 2057 A HN 0.353 nan 8.150 nan 0.000 0.443 2058 T N -0.137 114.361 114.554 -0.094 0.000 2.812 2058 T HA -0.037 4.313 4.350 -0.000 0.000 0.264 2058 T C 1.944 176.500 174.700 -0.241 0.000 1.042 2058 T CA 1.780 63.799 62.100 -0.136 0.000 1.140 2058 T CB -0.117 68.676 68.868 -0.124 0.000 0.870 2058 T HN 0.457 nan 8.240 nan 0.000 0.445 2059 S N 0.048 115.487 115.700 -0.436 0.000 2.511 2059 S HA 0.280 4.750 4.470 -0.000 0.000 0.214 2059 S C 0.366 174.337 174.600 -1.048 0.000 0.997 2059 S CA -0.111 57.595 58.200 -0.823 0.000 0.908 2059 S CB 0.167 62.628 63.200 -1.231 0.000 0.803 2059 S HN 0.423 nan 8.310 nan 0.000 0.504 2060 F N 1.296 121.197 119.950 -0.082 0.000 2.837 2060 F HA 0.429 4.956 4.527 -0.000 0.000 0.328 2060 F C 0.489 176.275 175.800 -0.023 0.000 1.173 2060 F CA -1.090 56.875 58.000 -0.058 0.000 1.160 2060 F CB -0.620 38.319 39.000 -0.101 0.000 1.115 2060 F HN -0.078 nan 8.300 nan 0.000 0.512 2061 N N 1.401 120.144 118.700 0.073 0.000 2.693 2061 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 2061 N C -0.354 175.201 175.510 0.075 0.000 1.119 2061 N CA 0.831 53.916 53.050 0.058 0.000 0.717 2061 N CB -1.074 37.447 38.487 0.058 0.000 1.071 2061 N HN 0.362 nan 8.380 nan 0.000 0.555 2062 I N 1.058 121.688 120.570 0.099 0.000 2.330 2062 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 2062 I C 0.157 176.321 176.117 0.079 0.000 1.001 2062 I CA -0.374 60.982 61.300 0.094 0.000 1.193 2062 I CB 1.200 39.274 38.000 0.124 0.000 1.345 2062 I HN -0.244 nan 8.210 nan 0.000 0.461 2063 K N 4.812 125.252 120.400 0.066 0.000 2.367 2063 K HA 0.496 4.816 4.320 -0.000 0.000 0.263 2063 K C -0.533 176.119 176.600 0.086 0.000 1.000 2063 K CA -0.433 55.891 56.287 0.061 0.000 0.891 2063 K CB 2.142 34.666 32.500 0.040 0.000 1.117 2063 K HN 0.456 nan 8.250 nan 0.000 0.443 2064 T N 2.825 117.441 114.554 0.103 0.000 2.900 2064 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 2064 T C -2.698 172.052 174.700 0.083 0.000 1.044 2064 T CA -2.258 59.927 62.100 0.141 0.000 0.995 2064 T CB 1.361 70.367 68.868 0.230 0.000 1.072 2064 T HN 0.155 nan 8.240 nan 0.000 0.473 2065 P HA 0.102 nan 4.420 nan 0.000 0.268 2065 P C 0.764 178.071 177.300 0.010 0.000 1.208 2065 P CA -0.368 62.741 63.100 0.015 0.000 0.777 2065 P CB 0.451 32.141 31.700 -0.017 0.000 0.875 2066 L N 2.998 124.228 121.223 0.012 0.000 2.127 2066 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 2066 L C 1.523 178.402 176.870 0.014 0.000 1.089 2066 L CA 2.015 56.866 54.840 0.019 0.000 0.757 2066 L CB -0.979 41.091 42.059 0.018 0.000 0.899 2066 L HN 0.308 nan 8.230 nan 0.000 0.434 2067 E N -1.233 118.961 120.200 -0.010 0.000 2.472 2067 E HA -0.114 4.236 4.350 -0.000 0.000 0.200 2067 E C 1.857 178.425 176.600 -0.053 0.000 1.046 2067 E CA 1.088 57.475 56.400 -0.023 0.000 0.871 2067 E CB -0.581 29.093 29.700 -0.044 0.000 0.806 2067 E HN 0.665 nan 8.360 nan 0.000 0.533 2068 T N -1.896 112.612 114.554 -0.077 0.000 3.129 2068 T HA 0.167 4.517 4.350 -0.000 0.000 0.251 2068 T C 0.696 175.394 174.700 -0.003 0.000 1.117 2068 T CA -0.099 61.916 62.100 -0.142 0.000 1.034 2068 T CB -0.139 68.547 68.868 -0.303 0.000 0.968 2068 T HN -0.004 nan 8.240 nan 0.000 0.526 2069 I N 1.972 122.576 120.570 0.056 0.000 2.306 2069 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 2069 I C -1.095 175.126 176.117 0.175 0.000 1.036 2069 I CA -1.127 60.237 61.300 0.107 0.000 1.221 2069 I CB 0.663 38.714 38.000 0.084 0.000 1.385 2069 I HN 0.091 nan 8.210 nan 0.000 0.472 2070 Y N 6.708 127.012 120.300 0.007 0.000 2.345 2070 Y HA 0.395 4.944 4.550 -0.000 0.000 0.331 2070 Y C 0.455 176.355 175.900 0.000 0.000 0.959 2070 Y CA -0.963 57.137 58.100 -0.000 0.000 1.204 2070 Y CB 1.314 39.770 38.460 -0.006 0.000 1.135 2070 Y HN 0.635 nan 8.280 nan 0.000 0.477 2071 T N 0.703 115.070 114.554 -0.310 0.000 2.923 2071 T HA 0.643 4.992 4.350 -0.000 0.000 0.281 2071 T C 1.158 175.615 174.700 -0.404 0.000 0.995 2071 T CA -0.231 61.712 62.100 -0.263 0.000 0.985 2071 T CB 1.597 70.375 68.868 -0.149 0.000 1.114 2071 T HN 0.620 nan 8.240 nan 0.000 0.548 2072 A N 0.622 123.293 122.820 -0.248 0.000 2.015 2072 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 2072 A C 2.349 179.799 177.584 -0.224 0.000 1.163 2072 A CA 1.940 53.839 52.037 -0.230 0.000 0.646 2072 A CB -1.685 17.222 19.000 -0.156 0.000 0.806 2072 A HN 0.917 nan 8.150 nan 0.000 0.448 2073 T N 0.601 115.040 114.554 -0.191 0.000 2.708 2073 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 2073 T C 1.809 176.408 174.700 -0.169 0.000 1.037 2073 T CA 1.462 63.471 62.100 -0.151 0.000 1.146 2073 T CB -0.368 68.435 68.868 -0.107 0.000 0.865 2073 T HN 0.393 nan 8.240 nan 0.000 0.435 2074 L N 0.767 121.845 121.223 -0.241 0.000 2.017 2074 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 2074 L C 3.115 179.856 176.870 -0.216 0.000 1.073 2074 L CA 1.310 56.019 54.840 -0.219 0.000 0.745 2074 L CB -0.806 41.084 42.059 -0.281 0.000 0.894 2074 L HN 0.251 nan 8.230 nan 0.000 0.432 2075 A N -0.281 122.278 122.820 -0.434 0.000 1.908 2075 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 2075 A C 2.366 179.922 177.584 -0.047 0.000 1.181 2075 A CA 2.409 54.339 52.037 -0.179 0.000 0.627 2075 A CB -0.927 17.932 19.000 -0.235 0.000 0.818 2075 A HN 0.391 nan 8.150 nan 0.000 0.445 2076 T N 0.268 114.756 114.554 -0.109 0.000 2.708 2076 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 2076 T C 1.793 176.457 174.700 -0.060 0.000 1.037 2076 T CA 1.551 63.602 62.100 -0.083 0.000 1.146 2076 T CB -0.394 68.396 68.868 -0.130 0.000 0.865 2076 T HN 0.432 nan 8.240 nan 0.000 0.435 2077 I N 1.138 121.664 120.570 -0.072 0.000 2.252 2077 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 2077 I C 2.311 178.435 176.117 0.012 0.000 1.102 2077 I CA 1.097 62.365 61.300 -0.055 0.000 1.385 2077 I CB -0.351 37.647 38.000 -0.003 0.000 1.064 2077 I HN 0.141 nan 8.210 nan 0.000 0.414 2078 D N 0.191 120.627 120.400 0.060 0.000 2.117 2078 D HA -0.243 4.397 4.640 -0.000 0.000 0.197 2078 D C 1.927 178.282 176.300 0.091 0.000 0.987 2078 D CA 1.438 55.497 54.000 0.098 0.000 0.829 2078 D CB -0.373 40.524 40.800 0.161 0.000 0.961 2078 D HN 0.348 nan 8.370 nan 0.000 0.460 2079 Y N 1.043 121.327 120.300 -0.026 0.000 2.145 2079 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 2079 Y C 2.435 178.294 175.900 -0.068 0.000 1.145 2079 Y CA 1.510 59.590 58.100 -0.035 0.000 1.148 2079 Y CB -0.303 38.124 38.460 -0.055 0.000 0.981 2079 Y HN -0.130 nan 8.280 nan 0.000 0.507 2080 M N 0.061 119.569 119.600 -0.154 0.000 2.080 2080 M HA -0.287 4.192 4.480 -0.000 0.000 0.260 2080 M C 1.819 178.033 176.300 -0.142 0.000 1.068 2080 M CA 1.885 56.902 55.300 -0.471 0.000 1.109 2080 M CB -0.465 31.591 32.600 -0.907 0.000 1.342 2080 M HN 0.267 nan 8.290 nan 0.000 0.405 2081 N N 0.531 119.237 118.700 0.010 0.000 2.166 2081 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 2081 N C 1.209 176.737 175.510 0.031 0.000 1.019 2081 N CA 1.321 54.431 53.050 0.100 0.000 0.856 2081 N CB -0.524 38.019 38.487 0.092 0.000 0.993 2081 N HN 0.343 nan 8.380 nan 0.000 0.426 2082 D N 0.537 120.913 120.400 -0.041 0.000 2.097 2082 D HA -0.059 4.581 4.640 -0.000 0.000 0.197 2082 D C 1.908 178.150 176.300 -0.096 0.000 0.984 2082 D CA 0.739 54.699 54.000 -0.068 0.000 0.826 2082 D CB -0.116 40.628 40.800 -0.093 0.000 0.973 2082 D HN 0.154 nan 8.370 nan 0.000 0.460 2083 M N 0.751 120.238 119.600 -0.187 0.000 2.374 2083 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 2083 M C 0.261 176.577 176.300 0.027 0.000 1.067 2083 M CA 0.584 55.809 55.300 -0.126 0.000 1.103 2083 M CB -0.912 31.573 32.600 -0.192 0.000 1.402 2083 M HN 0.169 nan 8.290 nan 0.000 0.444 2084 K N 1.165 121.628 120.400 0.105 0.000 4.040 2084 K HA -0.216 4.104 4.320 -0.000 0.000 0.279 2084 K C -0.786 175.887 176.600 0.122 0.000 0.890 2084 K CA 0.753 57.123 56.287 0.138 0.000 0.782 2084 K CB -1.338 31.200 32.500 0.063 0.000 1.613 2084 K HN 0.206 nan 8.250 nan 0.000 0.440 2085 R N 0.626 121.237 120.500 0.185 0.000 3.006 2085 R HA 0.571 4.911 4.340 -0.000 0.000 0.235 2085 R C 0.590 176.946 176.300 0.093 0.000 1.362 2085 R CA 0.026 56.122 56.100 -0.008 0.000 1.067 2085 R CB 0.603 30.717 30.300 -0.309 0.000 1.396 2085 R HN 0.503 nan 8.270 nan 0.000 0.504 2086 G N 0.738 109.543 108.800 0.009 0.000 2.669 2086 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.227 2086 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.227 2086 G C -0.591 174.471 174.900 0.270 0.000 1.210 2086 G CA 0.049 45.202 45.100 0.089 0.000 0.855 2086 G HN 0.374 nan 8.290 nan 0.000 0.551 2087 K N 0.699 121.202 120.400 0.173 0.000 3.041 2087 K HA 0.270 4.590 4.320 -0.000 0.000 0.243 2087 K C 0.686 177.432 176.600 0.243 0.000 1.167 2087 K CA 0.154 56.510 56.287 0.115 0.000 1.235 2087 K CB 0.228 32.649 32.500 -0.132 0.000 1.205 2087 K HN 0.666 nan 8.250 nan 0.000 0.448 2088 T N -2.961 111.833 114.554 0.399 0.000 2.906 2088 T HA 0.865 5.215 4.350 -0.000 0.000 0.295 2088 T C -0.771 174.152 174.700 0.372 0.000 1.061 2088 T CA -1.132 61.156 62.100 0.314 0.000 1.000 2088 T CB 2.255 71.227 68.868 0.173 0.000 1.103 2088 T HN 0.028 nan 8.240 nan 0.000 0.486 2089 A N 1.281 124.267 122.820 0.277 0.000 2.589 2089 A HA 0.656 4.975 4.320 -0.000 0.000 0.296 2089 A C -2.109 175.588 177.584 0.189 0.000 1.062 2089 A CA -0.929 51.241 52.037 0.222 0.000 0.686 2089 A CB 1.306 20.373 19.000 0.112 0.000 1.282 2089 A HN 1.054 nan 8.150 nan 0.000 0.404 2090 Y N 1.839 122.177 120.300 0.062 0.000 2.331 2090 Y HA 0.614 5.164 4.550 -0.000 0.000 0.338 2090 Y C -0.919 174.993 175.900 0.021 0.000 0.992 2090 Y CA -0.804 57.314 58.100 0.030 0.000 1.121 2090 Y CB 1.546 40.009 38.460 0.005 0.000 1.184 2090 Y HN 0.545 nan 8.280 nan 0.000 0.469 2091 V N 8.058 127.570 119.914 -0.671 0.000 2.495 2091 V HA 0.437 4.556 4.120 -0.000 0.000 0.298 2091 V C -0.272 175.476 176.094 -0.577 0.000 1.031 2091 V CA -0.947 61.074 62.300 -0.464 0.000 0.871 2091 V CB 1.761 33.439 31.823 -0.242 0.000 0.988 2091 V HN 0.676 nan 8.190 nan 0.000 0.432 2092 I N 3.849 124.225 120.570 -0.323 0.000 2.362 2092 I HA 0.822 4.992 4.170 -0.000 0.000 0.289 2092 I C 0.611 176.660 176.117 -0.114 0.000 0.994 2092 I CA 0.176 61.359 61.300 -0.196 0.000 1.158 2092 I CB 1.561 39.515 38.000 -0.077 0.000 1.315 2092 I HN 0.883 nan 8.210 nan 0.000 0.451 2093 G N 5.218 113.962 108.800 -0.093 0.000 2.327 2093 G HA2 0.132 4.092 3.960 -0.000 0.000 0.291 2093 G HA3 0.132 4.092 3.960 -0.000 0.000 0.291 2093 G C -1.417 173.453 174.900 -0.051 0.000 1.290 2093 G CA -0.752 44.310 45.100 -0.063 0.000 0.857 2093 G HN 0.335 nan 8.290 nan 0.000 0.520 2094 E N -0.186 119.991 120.200 -0.039 0.000 2.392 2094 E HA 0.280 4.630 4.350 -0.000 0.000 0.256 2094 E C 1.525 178.106 176.600 -0.032 0.000 1.145 2094 E CA 0.265 56.649 56.400 -0.028 0.000 0.929 2094 E CB 1.179 30.867 29.700 -0.020 0.000 0.998 2094 E HN 0.567 nan 8.360 nan 0.000 0.442 2095 T N 1.107 115.648 114.554 -0.022 0.000 2.737 2095 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 2095 T C 1.692 176.380 174.700 -0.021 0.000 1.040 2095 T CA 2.117 64.205 62.100 -0.020 0.000 1.142 2095 T CB -0.338 68.524 68.868 -0.010 0.000 0.861 2095 T HN 0.580 nan 8.240 nan 0.000 0.456 2096 G N 1.230 110.018 108.800 -0.019 0.000 2.446 2096 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 2096 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 2096 G C 1.504 176.388 174.900 -0.027 0.000 1.168 2096 G CA 1.165 46.254 45.100 -0.019 0.000 0.771 2096 G HN 0.543 nan 8.290 nan 0.000 0.551 2097 L N 0.547 121.748 121.223 -0.037 0.000 2.027 2097 L HA 0.102 4.442 4.340 -0.000 0.000 0.206 2097 L C 2.678 179.518 176.870 -0.051 0.000 1.074 2097 L CA 2.038 56.848 54.840 -0.050 0.000 0.745 2097 L CB -0.546 41.476 42.059 -0.062 0.000 0.898 2097 L HN 0.136 nan 8.230 nan 0.000 0.433 2098 K N -0.417 119.950 120.400 -0.055 0.000 2.097 2098 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 2098 K C 2.204 178.788 176.600 -0.026 0.000 1.049 2098 K CA 1.716 57.969 56.287 -0.056 0.000 0.933 2098 K CB -0.179 32.281 32.500 -0.066 0.000 0.717 2098 K HN 0.343 nan 8.250 nan 0.000 0.442 2099 K N 0.899 121.288 120.400 -0.018 0.000 2.001 2099 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 2099 K C 2.168 178.770 176.600 0.003 0.000 1.048 2099 K CA 1.222 57.506 56.287 -0.004 0.000 0.932 2099 K CB -0.130 32.367 32.500 -0.005 0.000 0.715 2099 K HN 0.094 nan 8.250 nan 0.000 0.437 2100 A N 0.807 123.624 122.820 -0.004 0.000 1.917 2100 A HA -0.141 4.178 4.320 -0.000 0.000 0.219 2100 A C 2.247 179.844 177.584 0.023 0.000 1.182 2100 A CA 1.873 53.912 52.037 0.002 0.000 0.633 2100 A CB -0.734 18.257 19.000 -0.015 0.000 0.819 2100 A HN 0.206 nan 8.150 nan 0.000 0.448 2101 V N -0.383 119.540 119.914 0.015 0.000 2.358 2101 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 2101 V C 3.040 179.218 176.094 0.139 0.000 1.047 2101 V CA 1.864 64.198 62.300 0.056 0.000 1.035 2101 V CB -1.191 30.620 31.823 -0.019 0.000 0.658 2101 V HN 0.629 nan 8.190 nan 0.000 0.452 2102 A N -0.298 122.570 122.820 0.081 0.000 1.902 2102 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 2102 A C 2.141 179.758 177.584 0.055 0.000 1.181 2102 A CA 1.813 53.897 52.037 0.079 0.000 0.623 2102 A CB -0.473 18.554 19.000 0.045 0.000 0.818 2102 A HN 0.614 nan 8.150 nan 0.000 0.443 2103 E N -0.362 119.862 120.200 0.040 0.000 2.268 2103 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 2103 E C 1.803 178.416 176.600 0.022 0.000 0.995 2103 E CA 0.588 57.002 56.400 0.022 0.000 0.836 2103 E CB -0.183 29.527 29.700 0.016 0.000 0.763 2103 E HN 0.611 nan 8.360 nan 0.000 0.491 2104 A N 0.188 123.044 122.820 0.059 0.000 2.238 2104 A HA 0.244 4.564 4.320 -0.000 0.000 0.208 2104 A C 1.616 179.175 177.584 -0.042 0.000 1.177 2104 A CA 0.815 52.891 52.037 0.066 0.000 0.804 2104 A CB -0.157 18.944 19.000 0.168 0.000 0.823 2104 A HN 0.324 nan 8.150 nan 0.000 0.482 2105 G N -2.545 106.204 108.800 -0.084 0.000 2.168 2105 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.197 2105 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.197 2105 G C -0.204 174.465 174.900 -0.384 0.000 0.997 2105 G CA -0.007 44.942 45.100 -0.253 0.000 0.658 2105 G HN 0.416 nan 8.290 nan 0.000 0.513 2106 Y N 1.922 122.231 120.300 0.014 0.000 2.491 2106 Y HA 0.542 5.092 4.550 -0.000 0.000 0.334 2106 Y C 1.041 176.962 175.900 0.035 0.000 0.969 2106 Y CA -0.866 57.256 58.100 0.036 0.000 1.241 2106 Y CB 0.589 39.067 38.460 0.031 0.000 1.105 2106 Y HN 0.436 nan 8.280 nan 0.000 0.503 2107 R N 1.056 121.633 120.500 0.128 0.000 2.594 2107 R HA 0.227 4.567 4.340 -0.000 0.000 0.272 2107 R C -0.596 175.779 176.300 0.125 0.000 1.074 2107 R CA -0.712 55.447 56.100 0.098 0.000 1.105 2107 R CB 0.741 31.077 30.300 0.060 0.000 1.008 2107 R HN 0.344 nan 8.270 nan 0.000 0.472 2108 E N 1.819 122.081 120.200 0.103 0.000 2.366 2108 E HA -0.002 4.348 4.350 -0.000 0.000 0.266 2108 E C -0.848 175.833 176.600 0.135 0.000 1.015 2108 E CA 0.320 56.794 56.400 0.124 0.000 0.906 2108 E CB 0.746 30.508 29.700 0.102 0.000 0.979 2108 E HN 0.537 nan 8.360 nan 0.000 0.443 2109 D N 1.404 121.907 120.400 0.171 0.000 2.476 2109 D HA 0.058 4.698 4.640 -0.000 0.000 0.251 2109 D C 0.206 176.588 176.300 0.137 0.000 1.291 2109 D CA -0.509 53.566 54.000 0.125 0.000 0.939 2109 D CB 0.812 41.671 40.800 0.098 0.000 1.221 2109 D HN 0.192 nan 8.370 nan 0.000 0.567 2110 S N 2.427 118.164 115.700 0.061 0.000 2.593 2110 S HA 0.067 4.537 4.470 -0.000 0.000 0.217 2110 S C 0.967 175.452 174.600 -0.192 0.000 0.966 2110 S CA -0.003 58.096 58.200 -0.167 0.000 0.914 2110 S CB 0.465 63.515 63.200 -0.249 0.000 0.776 2110 S HN 0.376 nan 8.310 nan 0.000 0.523 2111 E N 2.542 122.694 120.200 -0.080 0.000 2.121 2111 E HA 0.170 4.519 4.350 -0.000 0.000 0.194 2111 E C -0.085 176.483 176.600 -0.054 0.000 0.940 2111 E CA 0.673 57.029 56.400 -0.074 0.000 0.884 2111 E CB -0.352 29.322 29.700 -0.042 0.000 0.874 2111 E HN 0.558 nan 8.360 nan 0.000 0.471 2112 N N 1.526 120.214 118.700 -0.021 0.000 2.642 2112 N HA 0.172 4.912 4.740 -0.000 0.000 0.308 2112 N C -2.660 172.857 175.510 0.010 0.000 1.914 2112 N CA -0.766 52.276 53.050 -0.014 0.000 0.893 2112 N CB 1.296 39.775 38.487 -0.014 0.000 1.322 2112 N HN 0.042 nan 8.380 nan 0.000 0.490 2113 P HA 0.055 nan 4.420 nan 0.000 0.269 2113 P C 0.347 177.668 177.300 0.034 0.000 1.215 2113 P CA -0.097 63.050 63.100 0.080 0.000 0.780 2113 P CB 1.452 33.239 31.700 0.146 0.000 0.898 2114 A N 2.132 124.967 122.820 0.025 0.000 2.016 2114 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 2114 A C 0.354 177.753 177.584 -0.308 0.000 1.162 2114 A CA 1.182 53.123 52.037 -0.161 0.000 0.662 2114 A CB -0.687 18.192 19.000 -0.202 0.000 0.812 2114 A HN 0.606 nan 8.150 nan 0.000 0.450 2115 Y N -2.508 117.823 120.300 0.051 0.000 2.512 2115 Y HA 0.567 5.117 4.550 -0.000 0.000 0.348 2115 Y C -0.502 175.430 175.900 0.054 0.000 0.990 2115 Y CA -1.043 57.076 58.100 0.031 0.000 1.033 2115 Y CB 2.136 40.562 38.460 -0.056 0.000 1.259 2115 Y HN -0.202 nan 8.280 nan 0.000 0.461 2116 V N 3.773 123.838 119.914 0.252 0.000 2.376 2116 V HA 0.455 4.575 4.120 -0.000 0.000 0.287 2116 V C -0.943 175.275 176.094 0.207 0.000 1.015 2116 V CA -0.771 61.644 62.300 0.191 0.000 0.834 2116 V CB 1.458 33.340 31.823 0.099 0.000 1.001 2116 V HN 0.552 nan 8.190 nan 0.000 0.428 2117 V N 6.013 125.985 119.914 0.097 0.000 2.459 2117 V HA 0.616 4.736 4.120 -0.000 0.000 0.295 2117 V C -0.310 175.797 176.094 0.022 0.000 1.029 2117 V CA -0.574 61.754 62.300 0.046 0.000 0.874 2117 V CB 1.979 33.765 31.823 -0.061 0.000 0.985 2117 V HN 0.558 nan 8.190 nan 0.000 0.438 2118 V N 3.695 123.646 119.914 0.062 0.000 2.577 2118 V HA 0.913 5.033 4.120 -0.000 0.000 0.303 2118 V C 0.444 176.535 176.094 -0.005 0.000 1.042 2118 V CA -0.062 62.265 62.300 0.044 0.000 0.872 2118 V CB 1.599 33.514 31.823 0.154 0.000 0.998 2118 V HN 1.012 nan 8.190 nan 0.000 0.423 2119 G N 2.490 111.272 108.800 -0.029 0.000 3.015 2119 G HA2 0.645 4.605 3.960 -0.000 0.000 0.281 2119 G HA3 0.645 4.605 3.960 -0.000 0.000 0.281 2119 G C -1.064 173.820 174.900 -0.027 0.000 1.386 2119 G CA -1.017 44.058 45.100 -0.041 0.000 0.959 2119 G HN 0.662 nan 8.290 nan 0.000 0.522 2120 L N 0.657 121.863 121.223 -0.028 0.000 2.490 2120 L HA 0.259 4.599 4.340 -0.000 0.000 0.274 2120 L C -0.871 175.990 176.870 -0.016 0.000 1.201 2120 L CA 0.183 55.014 54.840 -0.016 0.000 0.869 2120 L CB 0.891 42.940 42.059 -0.017 0.000 1.123 2120 L HN 0.481 nan 8.230 nan 0.000 0.484 2121 D N 2.352 122.749 120.400 -0.006 0.000 2.402 2121 D HA 0.107 4.747 4.640 -0.000 0.000 0.252 2121 D C 0.788 177.092 176.300 0.006 0.000 1.294 2121 D CA -0.338 53.659 54.000 -0.006 0.000 0.948 2121 D CB 1.465 42.259 40.800 -0.009 0.000 1.202 2121 D HN 0.588 nan 8.370 nan 0.000 0.561 2122 T N 0.516 115.073 114.554 0.005 0.000 3.163 2122 T HA 0.015 4.365 4.350 -0.000 0.000 0.260 2122 T C 0.667 175.377 174.700 0.015 0.000 1.156 2122 T CA 0.341 62.448 62.100 0.011 0.000 1.072 2122 T CB -0.345 68.529 68.868 0.010 0.000 0.937 2122 T HN 0.266 nan 8.240 nan 0.000 0.528 2123 N N 0.280 118.989 118.700 0.015 0.000 2.338 2123 N HA 0.360 5.099 4.740 -0.000 0.000 0.251 2123 N C -0.348 175.179 175.510 0.028 0.000 1.199 2123 N CA -0.317 52.745 53.050 0.021 0.000 0.879 2123 N CB 0.352 38.849 38.487 0.017 0.000 1.159 2123 N HN 0.327 nan 8.380 nan 0.000 0.514 2124 L N 1.725 122.966 121.223 0.030 0.000 2.543 2124 L HA 0.042 4.382 4.340 -0.000 0.000 0.285 2124 L C 0.373 177.276 176.870 0.054 0.000 1.236 2124 L CA 0.937 55.800 54.840 0.039 0.000 0.871 2124 L CB 0.287 42.369 42.059 0.039 0.000 1.121 2124 L HN 0.317 nan 8.230 nan 0.000 0.501 2125 T N 0.206 114.799 114.554 0.064 0.000 2.883 2125 T HA 0.175 4.525 4.350 -0.000 0.000 0.296 2125 T C 0.528 175.294 174.700 0.111 0.000 1.117 2125 T CA -0.696 61.459 62.100 0.092 0.000 1.006 2125 T CB 1.002 69.922 68.868 0.086 0.000 1.191 2125 T HN 0.495 nan 8.240 nan 0.000 0.508 2126 Y N 1.060 121.374 120.300 0.023 0.000 2.165 2126 Y HA -0.092 4.458 4.550 -0.000 0.000 0.286 2126 Y C 2.489 178.399 175.900 0.015 0.000 1.155 2126 Y CA 2.459 60.569 58.100 0.018 0.000 1.164 2126 Y CB -0.136 38.331 38.460 0.011 0.000 0.978 2126 Y HN 0.900 nan 8.280 nan 0.000 0.513 2127 E N 0.618 120.886 120.200 0.113 0.000 2.085 2127 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 2127 E C 1.971 178.550 176.600 -0.036 0.000 0.994 2127 E CA 1.996 58.414 56.400 0.030 0.000 0.801 2127 E CB -0.198 29.543 29.700 0.068 0.000 0.743 2127 E HN 0.477 nan 8.360 nan 0.000 0.453 2128 K N -0.557 119.857 120.400 0.024 0.000 2.057 2128 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 2128 K C 1.964 178.584 176.600 0.033 0.000 1.049 2128 K CA 1.080 57.426 56.287 0.099 0.000 0.931 2128 K CB -0.154 32.423 32.500 0.130 0.000 0.714 2128 K HN 0.114 nan 8.250 nan 0.000 0.440 2129 L N 1.057 122.234 121.223 -0.077 0.000 2.046 2129 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 2129 L C 2.230 178.954 176.870 -0.244 0.000 1.077 2129 L CA 1.853 56.602 54.840 -0.152 0.000 0.747 2129 L CB -1.176 40.752 42.059 -0.218 0.000 0.896 2129 L HN 0.188 nan 8.230 nan 0.000 0.432 2130 T N -0.523 113.819 114.554 -0.354 0.000 2.708 2130 T HA -0.153 4.196 4.350 -0.000 0.000 0.266 2130 T C 1.907 176.465 174.700 -0.236 0.000 1.037 2130 T CA 0.886 62.790 62.100 -0.327 0.000 1.146 2130 T CB -0.207 68.474 68.868 -0.312 0.000 0.865 2130 T HN 0.024 nan 8.240 nan 0.000 0.435 2131 L N 1.276 122.352 121.223 -0.245 0.000 2.012 2131 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 2131 L C 2.806 179.449 176.870 -0.379 0.000 1.073 2131 L CA 1.795 56.404 54.840 -0.384 0.000 0.748 2131 L CB -1.554 40.125 42.059 -0.633 0.000 0.891 2131 L HN 0.260 nan 8.230 nan 0.000 0.431 2132 A N -1.732 120.961 122.820 -0.211 0.000 1.877 2132 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 2132 A C 2.326 179.790 177.584 -0.200 0.000 1.186 2132 A CA 2.273 54.254 52.037 -0.094 0.000 0.620 2132 A CB -1.010 17.995 19.000 0.008 0.000 0.822 2132 A HN 0.442 nan 8.150 nan 0.000 0.443 2133 T N 0.345 114.774 114.554 -0.208 0.000 2.684 2133 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 2133 T C 1.759 176.360 174.700 -0.166 0.000 1.036 2133 T CA 1.627 63.606 62.100 -0.201 0.000 1.148 2133 T CB -0.340 68.424 68.868 -0.173 0.000 0.863 2133 T HN 0.194 nan 8.240 nan 0.000 0.436 2134 L N 1.101 122.229 121.223 -0.158 0.000 2.046 2134 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 2134 L C 2.811 179.609 176.870 -0.120 0.000 1.077 2134 L CA 1.627 56.390 54.840 -0.128 0.000 0.747 2134 L CB -1.487 40.494 42.059 -0.129 0.000 0.896 2134 L HN 0.253 nan 8.230 nan 0.000 0.432 2135 A N -0.574 122.160 122.820 -0.143 0.000 1.902 2135 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 2135 A C 2.342 179.871 177.584 -0.091 0.000 1.181 2135 A CA 1.706 53.678 52.037 -0.108 0.000 0.623 2135 A CB -0.684 18.255 19.000 -0.102 0.000 0.818 2135 A HN 0.372 nan 8.150 nan 0.000 0.443 2136 I N -0.496 119.994 120.570 -0.133 0.000 2.179 2136 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 2136 I C 2.764 178.834 176.117 -0.079 0.000 1.088 2136 I CA 1.657 62.877 61.300 -0.133 0.000 1.357 2136 I CB -0.491 37.339 38.000 -0.283 0.000 1.051 2136 I HN 0.441 nan 8.210 nan 0.000 0.409 2137 Q N 0.679 120.429 119.800 -0.085 0.000 2.181 2137 Q HA -0.226 4.114 4.340 -0.000 0.000 0.205 2137 Q C 1.872 177.848 176.000 -0.041 0.000 0.980 2137 Q CA 1.344 57.115 55.803 -0.054 0.000 0.862 2137 Q CB -0.117 28.587 28.738 -0.056 0.000 0.905 2137 Q HN 0.481 nan 8.270 nan 0.000 0.429 2138 K N -1.077 119.294 120.400 -0.048 0.000 2.525 2138 K HA 0.031 4.350 4.320 -0.000 0.000 0.192 2138 K C 0.869 177.450 176.600 -0.032 0.000 1.029 2138 K CA 0.589 56.853 56.287 -0.038 0.000 1.029 2138 K CB 0.542 33.016 32.500 -0.043 0.000 0.814 2138 K HN 0.370 nan 8.250 nan 0.000 0.503 2139 G N 0.586 109.369 108.800 -0.029 0.000 2.192 2139 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.193 2139 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.193 2139 G C 0.170 175.053 174.900 -0.027 0.000 0.999 2139 G CA -0.205 44.881 45.100 -0.023 0.000 0.659 2139 G HN 0.395 nan 8.290 nan 0.000 0.503 2140 A N 0.275 123.079 122.820 -0.027 0.000 2.498 2140 A HA 0.566 4.886 4.320 -0.000 0.000 0.239 2140 A C 0.892 178.490 177.584 0.024 0.000 1.068 2140 A CA 0.543 52.567 52.037 -0.023 0.000 0.766 2140 A CB 0.577 19.579 19.000 0.004 0.000 1.003 2140 A HN 1.191 nan 8.150 nan 0.000 0.497 2141 V N 3.503 123.421 119.914 0.007 0.000 2.446 2141 V HA 0.047 4.167 4.120 -0.000 0.000 0.276 2141 V C 0.241 176.501 176.094 0.277 0.000 1.030 2141 V CA 0.313 62.684 62.300 0.118 0.000 1.033 2141 V CB -0.352 31.526 31.823 0.091 0.000 0.993 2141 V HN 0.685 nan 8.190 nan 0.000 0.477 2142 F N 6.968 126.958 119.950 0.067 0.000 2.438 2142 F HA 0.517 5.044 4.527 -0.000 0.000 0.360 2142 F C -0.004 175.817 175.800 0.034 0.000 1.118 2142 F CA -0.632 57.395 58.000 0.044 0.000 1.164 2142 F CB 0.296 39.301 39.000 0.008 0.000 1.131 2142 F HN 0.350 nan 8.300 nan 0.000 0.527 2143 I N 5.434 126.160 120.570 0.260 0.000 2.509 2143 I HA 0.420 4.590 4.170 -0.000 0.000 0.293 2143 I C 0.217 176.269 176.117 -0.109 0.000 1.020 2143 I CA -0.822 60.456 61.300 -0.036 0.000 1.088 2143 I CB 1.970 39.988 38.000 0.029 0.000 1.267 2143 I HN 0.590 nan 8.210 nan 0.000 0.430 2144 G N 1.849 110.490 108.800 -0.266 0.000 2.415 2144 G HA2 0.419 4.379 3.960 -0.000 0.000 0.327 2144 G HA3 0.419 4.379 3.960 -0.000 0.000 0.327 2144 G C 0.745 175.536 174.900 -0.181 0.000 1.182 2144 G CA -0.215 44.756 45.100 -0.215 0.000 0.924 2144 G HN 0.717 nan 8.290 nan 0.000 0.470 2145 T N -0.486 113.989 114.554 -0.132 0.000 2.812 2145 T HA -0.005 4.345 4.350 -0.000 0.000 0.264 2145 T C 0.793 175.409 174.700 -0.141 0.000 1.042 2145 T CA 1.004 63.023 62.100 -0.135 0.000 1.140 2145 T CB -0.412 68.391 68.868 -0.109 0.000 0.870 2145 T HN 0.769 nan 8.240 nan 0.000 0.445 2146 N N 0.258 118.881 118.700 -0.128 0.000 2.484 2146 N HA 0.441 5.181 4.740 -0.000 0.000 0.269 2146 N C -2.841 172.599 175.510 -0.117 0.000 1.237 2146 N CA -1.897 51.081 53.050 -0.122 0.000 0.838 2146 N CB 1.721 40.146 38.487 -0.103 0.000 1.593 2146 N HN -0.185 nan 8.380 nan 0.000 0.485 2147 P HA 0.075 nan 4.420 nan 0.000 0.251 2147 P C -0.901 176.374 177.300 -0.041 0.000 1.223 2147 P CA 0.303 63.349 63.100 -0.091 0.000 0.796 2147 P CB -0.132 31.514 31.700 -0.089 0.000 1.068 2148 D N 1.055 121.422 120.400 -0.056 0.000 2.581 2148 D HA -0.070 4.570 4.640 -0.000 0.000 0.238 2148 D C 1.448 177.742 176.300 -0.009 0.000 1.145 2148 D CA 0.192 54.163 54.000 -0.050 0.000 0.866 2148 D CB 0.571 41.324 40.800 -0.080 0.000 1.151 2148 D HN -0.078 nan 8.370 nan 0.000 0.500 2149 L N 1.823 123.053 121.223 0.013 0.000 2.217 2149 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 2149 L C 0.638 177.520 176.870 0.020 0.000 1.107 2149 L CA 1.379 56.247 54.840 0.047 0.000 0.783 2149 L CB -0.961 41.130 42.059 0.053 0.000 0.919 2149 L HN 0.422 nan 8.230 nan 0.000 0.442 2150 N N -0.841 117.852 118.700 -0.012 0.000 2.405 2150 N HA 0.407 5.147 4.740 -0.000 0.000 0.285 2150 N C -1.109 174.378 175.510 -0.038 0.000 1.262 2150 N CA -0.468 52.573 53.050 -0.015 0.000 0.773 2150 N CB 3.180 41.661 38.487 -0.010 0.000 1.490 2150 N HN -0.175 nan 8.380 nan 0.000 0.486 2151 I N 1.914 122.469 120.570 -0.025 0.000 2.439 2151 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 2151 I C -2.564 173.543 176.117 -0.017 0.000 1.021 2151 I CA -2.229 59.053 61.300 -0.030 0.000 1.091 2151 I CB 2.009 39.999 38.000 -0.018 0.000 1.242 2151 I HN 0.250 nan 8.210 nan 0.000 0.439 2152 P HA 0.274 nan 4.420 nan 0.000 0.282 2152 P C -0.842 176.464 177.300 0.009 0.000 1.274 2152 P CA -0.024 63.077 63.100 0.000 0.000 0.770 2152 P CB 0.836 32.537 31.700 0.000 0.000 0.867 2153 T N -0.821 113.743 114.554 0.017 0.000 2.888 2153 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 2153 T C 1.047 175.763 174.700 0.026 0.000 1.063 2153 T CA -0.512 61.601 62.100 0.022 0.000 1.010 2153 T CB 1.547 70.426 68.868 0.019 0.000 1.214 2153 T HN 0.144 nan 8.240 nan 0.000 0.533 2154 E N -0.175 120.042 120.200 0.028 0.000 2.333 2154 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 2154 E C 2.054 178.669 176.600 0.024 0.000 1.007 2154 E CA 1.006 57.423 56.400 0.028 0.000 0.845 2154 E CB -0.099 29.619 29.700 0.029 0.000 0.766 2154 E HN 0.610 nan 8.360 nan 0.000 0.507 2155 R N -1.087 119.426 120.500 0.022 0.000 2.240 2155 R HA 0.143 4.483 4.340 -0.000 0.000 0.203 2155 R C 0.408 176.720 176.300 0.020 0.000 1.011 2155 R CA 0.812 56.924 56.100 0.020 0.000 1.007 2155 R CB 0.198 30.509 30.300 0.018 0.000 0.911 2155 R HN 0.214 nan 8.270 nan 0.000 0.468 2156 G N -0.228 108.586 108.800 0.023 0.000 2.316 2156 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.349 2156 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.349 2156 G C -1.370 173.545 174.900 0.025 0.000 1.274 2156 G CA -0.846 44.269 45.100 0.025 0.000 1.018 2156 G HN 0.040 nan 8.290 nan 0.000 0.486 2157 L N 1.149 122.389 121.223 0.027 0.000 2.401 2157 L HA 0.362 4.702 4.340 -0.000 0.000 0.283 2157 L C 0.017 176.899 176.870 0.020 0.000 1.151 2157 L CA -0.469 54.386 54.840 0.026 0.000 0.942 2157 L CB -0.054 42.026 42.059 0.035 0.000 1.283 2157 L HN 0.339 nan 8.230 nan 0.000 0.442 2158 L N 5.717 126.949 121.223 0.015 0.000 2.431 2158 L HA 0.485 4.825 4.340 -0.000 0.000 0.260 2158 L C -2.003 174.876 176.870 0.015 0.000 1.098 2158 L CA -1.891 52.959 54.840 0.016 0.000 0.800 2158 L CB 0.019 42.087 42.059 0.015 0.000 1.210 2158 L HN 0.249 nan 8.230 nan 0.000 0.465 2159 P HA 0.145 nan 4.420 nan 0.000 0.267 2159 P C -0.257 177.054 177.300 0.019 0.000 1.209 2159 P CA 0.101 63.216 63.100 0.025 0.000 0.763 2159 P CB 0.455 32.175 31.700 0.033 0.000 0.816 2160 G N 2.038 110.849 108.800 0.019 0.000 2.531 2160 G HA2 0.422 4.382 3.960 -0.000 0.000 0.313 2160 G HA3 0.422 4.382 3.960 -0.000 0.000 0.313 2160 G C 1.061 175.969 174.900 0.014 0.000 1.238 2160 G CA -0.133 44.971 45.100 0.006 0.000 0.994 2160 G HN 0.419 nan 8.290 nan 0.000 0.493 2161 A N -0.471 122.346 122.820 -0.005 0.000 1.917 2161 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 2161 A C 2.591 180.174 177.584 -0.000 0.000 1.182 2161 A CA 2.538 54.570 52.037 -0.009 0.000 0.633 2161 A CB -1.173 17.805 19.000 -0.036 0.000 0.819 2161 A HN 1.159 nan 8.150 nan 0.000 0.448 2162 G N -0.697 108.103 108.800 0.000 0.000 2.450 2162 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.220 2162 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.220 2162 G C 1.686 176.673 174.900 0.145 0.000 1.130 2162 G CA 1.487 46.600 45.100 0.022 0.000 0.760 2162 G HN 0.838 nan 8.290 nan 0.000 0.557 2163 A N 0.699 123.606 122.820 0.146 0.000 1.898 2163 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 2163 A C 2.387 180.071 177.584 0.165 0.000 1.181 2163 A CA 1.162 53.310 52.037 0.186 0.000 0.620 2163 A CB -0.289 18.776 19.000 0.107 0.000 0.819 2163 A HN 0.376 nan 8.150 nan 0.000 0.442 2164 I N -0.285 120.347 120.570 0.103 0.000 2.226 2164 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 2164 I C 2.355 178.538 176.117 0.110 0.000 1.100 2164 I CA 1.049 62.403 61.300 0.091 0.000 1.374 2164 I CB -0.411 37.626 38.000 0.061 0.000 1.057 2164 I HN 0.281 nan 8.210 nan 0.000 0.413 2165 L N -0.313 120.954 121.223 0.074 0.000 2.042 2165 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 2165 L C 2.554 179.436 176.870 0.019 0.000 1.076 2165 L CA 1.548 56.416 54.840 0.047 0.000 0.749 2165 L CB -0.605 41.355 42.059 -0.165 0.000 0.893 2165 L HN 0.135 nan 8.230 nan 0.000 0.432 2166 F N -0.642 119.351 119.950 0.072 0.000 2.171 2166 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 2166 F C 2.202 178.046 175.800 0.074 0.000 1.090 2166 F CA 1.044 59.081 58.000 0.063 0.000 1.293 2166 F CB -0.475 38.544 39.000 0.033 0.000 1.013 2166 F HN 0.020 nan 8.300 nan 0.000 0.486 2167 L N 0.346 121.714 121.223 0.241 0.000 2.012 2167 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 2167 L C 1.981 178.923 176.870 0.119 0.000 1.073 2167 L CA 1.931 56.863 54.840 0.154 0.000 0.748 2167 L CB -1.398 40.727 42.059 0.110 0.000 0.891 2167 L HN 0.186 nan 8.230 nan 0.000 0.431 2168 L N -0.233 121.058 121.223 0.113 0.000 2.093 2168 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 2168 L C 2.648 179.588 176.870 0.117 0.000 1.085 2168 L CA 1.573 56.442 54.840 0.049 0.000 0.755 2168 L CB -0.514 41.535 42.059 -0.016 0.000 0.904 2168 L HN 0.448 nan 8.230 nan 0.000 0.435 2169 E N 0.336 120.676 120.200 0.234 0.000 2.051 2169 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 2169 E C 2.132 178.827 176.600 0.159 0.000 0.991 2169 E CA 1.080 57.617 56.400 0.227 0.000 0.799 2169 E CB 0.213 29.986 29.700 0.121 0.000 0.748 2169 E HN 0.224 nan 8.360 nan 0.000 0.449 2170 K N 0.191 120.691 120.400 0.166 0.000 2.057 2170 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 2170 K C 2.038 178.685 176.600 0.079 0.000 1.049 2170 K CA 1.156 57.519 56.287 0.126 0.000 0.931 2170 K CB -0.424 32.153 32.500 0.128 0.000 0.714 2170 K HN 0.222 nan 8.250 nan 0.000 0.440 2171 A N 0.867 123.722 122.820 0.059 0.000 2.015 2171 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 2171 A C 2.096 179.682 177.584 0.003 0.000 1.163 2171 A CA 2.167 54.217 52.037 0.022 0.000 0.646 2171 A CB -0.466 18.529 19.000 -0.008 0.000 0.806 2171 A HN 0.491 nan 8.150 nan 0.000 0.448 2172 T N -5.711 108.847 114.554 0.006 0.000 2.990 2172 T HA 0.256 4.606 4.350 -0.000 0.000 0.250 2172 T C 0.835 175.554 174.700 0.032 0.000 1.041 2172 T CA 0.535 62.631 62.100 -0.006 0.000 1.010 2172 T CB 0.036 68.871 68.868 -0.055 0.000 1.003 2172 T HN 0.477 nan 8.240 nan 0.000 0.499 2173 R N -0.362 120.175 120.500 0.061 0.000 3.963 2173 R HA -0.111 4.229 4.340 -0.000 0.000 0.394 2173 R C -0.072 176.277 176.300 0.082 0.000 1.131 2173 R CA 0.739 56.880 56.100 0.067 0.000 1.059 2173 R CB -2.728 27.600 30.300 0.046 0.000 1.614 2173 R HN 0.647 nan 8.270 nan 0.000 0.546 2174 V N -1.060 118.926 119.914 0.120 0.000 2.417 2174 V HA 0.529 4.649 4.120 -0.000 0.000 0.291 2174 V C 0.267 176.473 176.094 0.187 0.000 1.024 2174 V CA -1.001 61.389 62.300 0.150 0.000 0.861 2174 V CB 1.878 33.807 31.823 0.176 0.000 0.985 2174 V HN -0.004 nan 8.190 nan 0.000 0.436 2175 K N 7.046 127.482 120.400 0.061 0.000 2.339 2175 K HA 0.403 4.723 4.320 -0.000 0.000 0.286 2175 K C -2.370 174.102 176.600 -0.215 0.000 1.050 2175 K CA -1.389 54.857 56.287 -0.068 0.000 0.956 2175 K CB 1.423 33.883 32.500 -0.068 0.000 0.990 2175 K HN 0.699 nan 8.250 nan 0.000 0.475 2176 P HA 0.105 nan 4.420 nan 0.000 0.278 2176 P C -0.267 176.725 177.300 -0.512 0.000 1.238 2176 P CA -0.642 61.868 63.100 -0.984 0.000 0.794 2176 P CB 0.631 31.269 31.700 -1.771 0.000 0.955 2177 I N 2.997 123.342 120.570 -0.376 0.000 2.337 2177 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 2177 I C -0.465 175.438 176.117 -0.357 0.000 1.046 2177 I CA -0.680 60.447 61.300 -0.287 0.000 1.324 2177 I CB -0.528 37.357 38.000 -0.192 0.000 1.409 2177 I HN 0.168 nan 8.210 nan 0.000 0.494 2178 I N 8.395 128.770 120.570 -0.326 0.000 2.331 2178 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 2178 I C 0.852 176.800 176.117 -0.282 0.000 0.998 2178 I CA -0.598 60.523 61.300 -0.298 0.000 1.267 2178 I CB 1.372 39.215 38.000 -0.261 0.000 1.386 2178 I HN 0.593 nan 8.210 nan 0.000 0.476 2179 I N 4.122 124.528 120.570 -0.273 0.000 2.296 2179 I HA 0.055 4.225 4.170 -0.000 0.000 0.242 2179 I C 1.739 177.753 176.117 -0.171 0.000 1.087 2179 I CA 0.730 61.881 61.300 -0.250 0.000 1.393 2179 I CB -1.212 36.645 38.000 -0.239 0.000 1.093 2179 I HN 0.622 nan 8.210 nan 0.000 0.421 2180 G N 1.320 110.028 108.800 -0.154 0.000 2.716 2180 G HA2 0.032 3.992 3.960 -0.000 0.000 0.251 2180 G HA3 0.032 3.992 3.960 -0.000 0.000 0.251 2180 G C 0.047 174.884 174.900 -0.105 0.000 1.224 2180 G CA -0.410 44.616 45.100 -0.123 0.000 0.891 2180 G HN 0.261 nan 8.290 nan 0.000 0.561 2181 K N 1.125 121.473 120.400 -0.088 0.000 2.485 2181 K HA 0.069 4.389 4.320 -0.000 0.000 0.277 2181 K C -1.650 174.895 176.600 -0.093 0.000 0.990 2181 K CA -0.668 55.570 56.287 -0.082 0.000 0.994 2181 K CB 1.013 33.467 32.500 -0.077 0.000 0.906 2181 K HN 0.284 nan 8.250 nan 0.000 0.488 2182 P HA 0.057 nan 4.420 nan 0.000 0.254 2182 P C -0.697 176.555 177.300 -0.079 0.000 1.494 2182 P CA 0.143 63.190 63.100 -0.087 0.000 0.961 2182 P CB 0.460 32.100 31.700 -0.099 0.000 1.493 2183 E N 0.184 120.333 120.200 -0.086 0.000 2.392 2183 E HA 0.228 4.578 4.350 -0.000 0.000 0.256 2183 E C 1.522 178.079 176.600 -0.071 0.000 1.145 2183 E CA -0.163 56.185 56.400 -0.087 0.000 0.929 2183 E CB 0.598 30.226 29.700 -0.120 0.000 0.998 2183 E HN -0.033 nan 8.360 nan 0.000 0.442 2184 A N 1.649 124.431 122.820 -0.064 0.000 1.877 2184 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 2184 A C 2.234 179.802 177.584 -0.026 0.000 1.186 2184 A CA 1.718 53.732 52.037 -0.039 0.000 0.620 2184 A CB -0.734 18.249 19.000 -0.029 0.000 0.822 2184 A HN 0.372 nan 8.150 nan 0.000 0.443 2185 V N -0.011 119.872 119.914 -0.052 0.000 2.252 2185 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 2185 V C 2.402 178.516 176.094 0.034 0.000 1.056 2185 V CA 2.180 64.469 62.300 -0.020 0.000 1.022 2185 V CB -0.677 31.078 31.823 -0.113 0.000 0.641 2185 V HN 0.655 nan 8.190 nan 0.000 0.445 2186 I N -0.892 119.684 120.570 0.011 0.000 2.315 2186 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 2186 I C 2.387 178.579 176.117 0.124 0.000 1.117 2186 I CA 1.407 62.762 61.300 0.092 0.000 1.404 2186 I CB 0.000 38.005 38.000 0.009 0.000 1.071 2186 I HN 0.230 nan 8.210 nan 0.000 0.419 2187 M N 0.105 119.733 119.600 0.046 0.000 2.156 2187 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 2187 M C 1.895 178.209 176.300 0.024 0.000 1.067 2187 M CA 1.705 57.023 55.300 0.030 0.000 1.131 2187 M CB -1.822 30.777 32.600 -0.001 0.000 1.368 2187 M HN 0.342 nan 8.290 nan 0.000 0.416 2188 N N 0.063 118.778 118.700 0.026 0.000 2.084 2188 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 2188 N C 1.704 177.216 175.510 0.004 0.000 1.030 2188 N CA 0.900 53.961 53.050 0.018 0.000 0.849 2188 N CB 0.044 38.549 38.487 0.031 0.000 1.012 2188 N HN 0.225 nan 8.380 nan 0.000 0.423 2189 K N 1.075 121.493 120.400 0.031 0.000 2.057 2189 K HA -0.001 4.319 4.320 -0.000 0.000 0.206 2189 K C 2.081 178.536 176.600 -0.240 0.000 1.050 2189 K CA 0.795 57.057 56.287 -0.040 0.000 0.935 2189 K CB -0.420 32.155 32.500 0.125 0.000 0.715 2189 K HN 0.158 nan 8.250 nan 0.000 0.439 2190 A N 1.937 124.663 122.820 -0.156 0.000 1.902 2190 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 2190 A C 2.221 179.720 177.584 -0.141 0.000 1.181 2190 A CA 1.095 53.005 52.037 -0.211 0.000 0.623 2190 A CB -0.654 18.363 19.000 0.028 0.000 0.818 2190 A HN 0.232 nan 8.150 nan 0.000 0.443 2191 L N -0.636 120.543 121.223 -0.072 0.000 2.083 2191 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 2191 L C 2.217 179.046 176.870 -0.067 0.000 1.083 2191 L CA 2.186 56.996 54.840 -0.051 0.000 0.752 2191 L CB -0.481 41.563 42.059 -0.025 0.000 0.899 2191 L HN 0.471 nan 8.230 nan 0.000 0.433 2192 D N -0.218 120.130 120.400 -0.087 0.000 2.097 2192 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 2192 D C 2.176 178.410 176.300 -0.110 0.000 0.989 2192 D CA 1.079 55.029 54.000 -0.083 0.000 0.827 2192 D CB 0.145 40.898 40.800 -0.079 0.000 0.966 2192 D HN 0.333 nan 8.370 nan 0.000 0.456 2193 R N -0.016 120.377 120.500 -0.179 0.000 2.115 2193 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 2193 R C 2.287 178.512 176.300 -0.126 0.000 1.111 2193 R CA 0.227 56.218 56.100 -0.182 0.000 0.976 2193 R CB -0.233 29.890 30.300 -0.294 0.000 0.870 2193 R HN 0.151 nan 8.270 nan 0.000 0.445 2194 L N 0.298 121.459 121.223 -0.103 0.000 2.191 2194 L HA -0.005 4.334 4.340 -0.000 0.000 0.212 2194 L C 1.107 177.954 176.870 -0.038 0.000 1.103 2194 L CA 1.946 56.752 54.840 -0.056 0.000 0.769 2194 L CB -0.490 41.553 42.059 -0.027 0.000 0.908 2194 L HN 0.459 nan 8.230 nan 0.000 0.438 2195 G N -1.153 107.621 108.800 -0.044 0.000 2.176 2195 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 2195 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 2195 G C 0.158 175.048 174.900 -0.018 0.000 1.024 2195 G CA 0.359 45.441 45.100 -0.030 0.000 0.755 2195 G HN 0.355 nan 8.290 nan 0.000 0.507 2196 V N -0.401 119.500 119.914 -0.021 0.000 3.074 2196 V HA 0.553 4.673 4.120 -0.000 0.000 0.314 2196 V C 0.625 176.693 176.094 -0.044 0.000 1.117 2196 V CA -1.154 61.129 62.300 -0.028 0.000 1.014 2196 V CB 1.980 33.791 31.823 -0.020 0.000 1.057 2196 V HN 0.294 nan 8.190 nan 0.000 0.438 2197 K N 1.160 121.512 120.400 -0.080 0.000 2.202 2197 K HA 0.290 4.610 4.320 -0.000 0.000 0.264 2197 K C 1.108 177.647 176.600 -0.101 0.000 1.010 2197 K CA -0.322 55.920 56.287 -0.075 0.000 0.940 2197 K CB 0.862 33.316 32.500 -0.077 0.000 0.983 2197 K HN 0.508 nan 8.250 nan 0.000 0.475 2198 R N 1.738 122.239 120.500 0.002 0.000 2.113 2198 R HA -0.212 4.128 4.340 -0.000 0.000 0.244 2198 R C 2.130 178.455 176.300 0.042 0.000 1.142 2198 R CA 2.063 58.181 56.100 0.031 0.000 0.953 2198 R CB -0.254 30.089 30.300 0.072 0.000 0.860 2198 R HN 0.759 nan 8.270 nan 0.000 0.438 2199 H N -0.977 118.127 119.070 0.057 0.000 2.563 2199 H HA 0.024 4.580 4.556 -0.000 0.000 0.272 2199 H C 0.433 175.833 175.328 0.119 0.000 1.005 2199 H CA 0.887 56.984 56.048 0.083 0.000 1.171 2199 H CB 0.092 29.887 29.762 0.056 0.000 1.351 2199 H HN 0.467 nan 8.280 nan 0.000 0.602 2200 E N 0.517 120.494 120.200 -0.373 0.000 2.476 2200 E HA 0.331 4.681 4.350 -0.000 0.000 0.199 2200 E C 0.546 177.179 176.600 0.054 0.000 1.021 2200 E CA 0.013 56.297 56.400 -0.193 0.000 0.907 2200 E CB 0.756 30.285 29.700 -0.286 0.000 0.974 2200 E HN 0.476 nan 8.360 nan 0.000 0.489 2201 A N 1.427 124.265 122.820 0.031 0.000 2.269 2201 A HA 0.737 5.057 4.320 -0.000 0.000 0.327 2201 A C -0.573 176.949 177.584 -0.103 0.000 1.112 2201 A CA -0.528 51.491 52.037 -0.030 0.000 0.865 2201 A CB 0.933 19.906 19.000 -0.046 0.000 1.227 2201 A HN 0.205 nan 8.150 nan 0.000 0.498 2202 I N 0.260 120.644 120.570 -0.310 0.000 2.692 2202 I HA 0.485 4.655 4.170 -0.000 0.000 0.293 2202 I C -1.293 174.660 176.117 -0.274 0.000 1.200 2202 I CA -0.831 60.213 61.300 -0.427 0.000 1.036 2202 I CB 1.966 39.419 38.000 -0.913 0.000 1.258 2202 I HN 0.752 nan 8.210 nan 0.000 0.421 2203 M N 8.378 127.867 119.600 -0.186 0.000 2.113 2203 M HA 0.493 4.973 4.480 -0.000 0.000 0.352 2203 M C -1.757 174.460 176.300 -0.139 0.000 1.170 2203 M CA -0.208 55.022 55.300 -0.116 0.000 1.053 2203 M CB 1.106 33.653 32.600 -0.089 0.000 1.601 2203 M HN 0.286 nan 8.290 nan 0.000 0.459 2204 V N 5.584 125.429 119.914 -0.115 0.000 2.384 2204 V HA 0.971 5.091 4.120 -0.000 0.000 0.287 2204 V C 0.437 176.443 176.094 -0.148 0.000 1.020 2204 V CA -0.238 61.955 62.300 -0.177 0.000 0.850 2204 V CB 0.744 32.427 31.823 -0.233 0.000 0.987 2204 V HN 1.009 nan 8.190 nan 0.000 0.436 2205 G N 2.807 111.519 108.800 -0.147 0.000 2.600 2205 G HA2 0.499 4.458 3.960 -0.000 0.000 0.293 2205 G HA3 0.499 4.458 3.960 -0.000 0.000 0.293 2205 G C -0.345 174.502 174.900 -0.089 0.000 1.408 2205 G CA 0.166 45.198 45.100 -0.114 0.000 0.782 2205 G HN 0.559 nan 8.290 nan 0.000 0.482 2206 D N -1.520 118.844 120.400 -0.060 0.000 2.454 2206 D HA 0.021 4.661 4.640 -0.000 0.000 0.214 2206 D C -0.080 176.268 176.300 0.080 0.000 1.088 2206 D CA -0.140 53.852 54.000 -0.014 0.000 0.855 2206 D CB 0.567 41.345 40.800 -0.036 0.000 1.025 2206 D HN 0.177 nan 8.370 nan 0.000 0.502 2207 N N 0.486 119.232 118.700 0.076 0.000 2.469 2207 N HA 0.000 4.740 4.740 -0.000 0.000 0.253 2207 N C 0.122 175.720 175.510 0.147 0.000 0.970 2207 N CA -0.452 52.706 53.050 0.179 0.000 0.940 2207 N CB 1.072 39.570 38.487 0.017 0.000 1.128 2207 N HN -0.040 nan 8.380 nan 0.000 0.503 2208 Y N 4.374 124.756 120.300 0.137 0.000 2.097 2208 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 2208 Y C 1.910 177.842 175.900 0.053 0.000 1.152 2208 Y CA 1.759 59.903 58.100 0.073 0.000 1.136 2208 Y CB -0.068 38.434 38.460 0.068 0.000 0.975 2208 Y HN 0.602 nan 8.280 nan 0.000 0.498 2209 L N -0.098 121.193 121.223 0.113 0.000 2.046 2209 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 2209 L C 2.449 179.250 176.870 -0.115 0.000 1.077 2209 L CA 2.715 57.548 54.840 -0.012 0.000 0.747 2209 L CB -1.190 40.928 42.059 0.099 0.000 0.896 2209 L HN 0.543 nan 8.230 nan 0.000 0.432 2210 T N -5.125 109.364 114.554 -0.108 0.000 2.983 2210 T HA 0.003 4.353 4.350 -0.000 0.000 0.250 2210 T C 1.517 176.143 174.700 -0.124 0.000 1.037 2210 T CA 0.745 62.772 62.100 -0.122 0.000 1.142 2210 T CB -0.312 68.476 68.868 -0.133 0.000 0.876 2210 T HN 0.310 nan 8.240 nan 0.000 0.455 2211 D N 1.309 121.636 120.400 -0.121 0.000 2.290 2211 D HA 0.154 4.793 4.640 -0.000 0.000 0.224 2211 D C 2.237 178.447 176.300 -0.149 0.000 0.967 2211 D CA 0.453 54.385 54.000 -0.114 0.000 0.893 2211 D CB 0.062 40.809 40.800 -0.088 0.000 1.037 2211 D HN 0.273 nan 8.370 nan 0.000 0.477 2212 I N 1.575 122.021 120.570 -0.207 0.000 2.252 2212 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 2212 I C 2.283 178.201 176.117 -0.332 0.000 1.102 2212 I CA 1.108 62.251 61.300 -0.262 0.000 1.385 2212 I CB -1.569 36.245 38.000 -0.311 0.000 1.064 2212 I HN -0.065 nan 8.210 nan 0.000 0.414 2213 T N 1.553 115.839 114.554 -0.447 0.000 2.833 2213 T HA -0.077 4.272 4.350 -0.000 0.000 0.269 2213 T C 2.059 176.650 174.700 -0.181 0.000 1.054 2213 T CA 1.369 63.270 62.100 -0.331 0.000 1.135 2213 T CB -0.217 68.473 68.868 -0.297 0.000 0.869 2213 T HN 0.451 nan 8.240 nan 0.000 0.466 2214 A N 1.226 123.951 122.820 -0.158 0.000 1.933 2214 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 2214 A C 2.521 180.053 177.584 -0.087 0.000 1.175 2214 A CA 1.878 53.852 52.037 -0.105 0.000 0.628 2214 A CB -1.216 17.729 19.000 -0.092 0.000 0.814 2214 A HN 0.515 nan 8.150 nan 0.000 0.444 2215 G N 0.009 108.750 108.800 -0.099 0.000 2.424 2215 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.214 2215 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.214 2215 G C 1.528 176.392 174.900 -0.059 0.000 1.202 2215 G CA 0.938 45.994 45.100 -0.074 0.000 0.793 2215 G HN 0.432 nan 8.290 nan 0.000 0.534 2216 I N 0.610 121.135 120.570 -0.074 0.000 2.087 2216 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 2216 I C 2.770 178.864 176.117 -0.038 0.000 1.054 2216 I CA 1.627 62.897 61.300 -0.050 0.000 1.311 2216 I CB -0.238 37.726 38.000 -0.059 0.000 1.024 2216 I HN 0.093 nan 8.210 nan 0.000 0.402 2217 K N 0.734 121.103 120.400 -0.052 0.000 2.152 2217 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 2217 K C 1.049 177.633 176.600 -0.027 0.000 1.048 2217 K CA 1.368 57.632 56.287 -0.038 0.000 0.933 2217 K CB -0.100 32.370 32.500 -0.050 0.000 0.721 2217 K HN 0.421 nan 8.250 nan 0.000 0.447 2218 N N 1.306 119.988 118.700 -0.029 0.000 2.238 2218 N HA -0.052 4.688 4.740 -0.000 0.000 0.222 2218 N C -0.758 174.750 175.510 -0.003 0.000 1.133 2218 N CA 0.144 53.184 53.050 -0.016 0.000 0.854 2218 N CB 0.502 38.977 38.487 -0.020 0.000 1.041 2218 N HN 0.122 nan 8.380 nan 0.000 0.510 2219 D N 1.071 121.470 120.400 -0.001 0.000 2.705 2219 D HA -0.171 4.469 4.640 -0.000 0.000 0.240 2219 D C -0.936 175.380 176.300 0.026 0.000 1.137 2219 D CA 0.639 54.648 54.000 0.015 0.000 0.677 2219 D CB -1.319 39.495 40.800 0.023 0.000 1.049 2219 D HN 0.373 nan 8.370 nan 0.000 0.427 2220 I N 0.059 120.634 120.570 0.009 0.000 2.533 2220 I HA 0.583 4.753 4.170 -0.000 0.000 0.290 2220 I C 0.921 177.035 176.117 -0.005 0.000 1.056 2220 I CA -1.069 60.236 61.300 0.009 0.000 1.057 2220 I CB 1.828 39.817 38.000 -0.017 0.000 1.240 2220 I HN 0.195 nan 8.210 nan 0.000 0.423 2221 A N 3.906 126.735 122.820 0.015 0.000 2.507 2221 A HA 0.473 4.792 4.320 -0.000 0.000 0.235 2221 A C 0.237 177.770 177.584 -0.086 0.000 1.070 2221 A CA 0.283 52.317 52.037 -0.005 0.000 0.768 2221 A CB -0.004 19.023 19.000 0.045 0.000 1.011 2221 A HN 0.766 nan 8.150 nan 0.000 0.502 2222 T N -0.473 114.045 114.554 -0.061 0.000 2.893 2222 T HA 0.600 4.950 4.350 -0.000 0.000 0.293 2222 T C -0.751 173.950 174.700 0.002 0.000 1.027 2222 T CA -0.589 61.472 62.100 -0.066 0.000 0.988 2222 T CB 1.227 70.061 68.868 -0.056 0.000 1.043 2222 T HN 0.860 nan 8.240 nan 0.000 0.461 2223 L N 3.979 125.165 121.223 -0.062 0.000 2.372 2223 L HA 0.565 4.905 4.340 -0.000 0.000 0.273 2223 L C -1.168 175.659 176.870 -0.072 0.000 0.989 2223 L CA -1.132 53.680 54.840 -0.047 0.000 0.841 2223 L CB 1.321 43.191 42.059 -0.315 0.000 1.225 2223 L HN 0.683 nan 8.230 nan 0.000 0.414 2224 L N 6.704 127.930 121.223 0.006 0.000 2.282 2224 L HA 0.515 4.855 4.340 -0.000 0.000 0.288 2224 L C -1.049 175.811 176.870 -0.016 0.000 1.033 2224 L CA -0.366 54.476 54.840 0.003 0.000 0.807 2224 L CB 1.810 43.911 42.059 0.070 0.000 1.209 2224 L HN 0.357 nan 8.230 nan 0.000 0.423 2225 V N 4.135 124.014 119.914 -0.057 0.000 2.370 2225 V HA 0.183 4.303 4.120 -0.000 0.000 0.283 2225 V C 1.497 177.568 176.094 -0.038 0.000 1.023 2225 V CA -0.244 62.015 62.300 -0.067 0.000 0.857 2225 V CB 1.099 32.843 31.823 -0.131 0.000 0.985 2225 V HN 0.878 nan 8.190 nan 0.000 0.443 2226 T N 0.118 114.658 114.554 -0.024 0.000 3.219 2226 T HA -0.094 4.256 4.350 -0.000 0.000 0.264 2226 T C 0.902 175.583 174.700 -0.032 0.000 1.178 2226 T CA 1.075 63.161 62.100 -0.023 0.000 1.057 2226 T CB -0.354 68.502 68.868 -0.020 0.000 0.919 2226 T HN 0.697 nan 8.240 nan 0.000 0.545 2227 T N 0.102 114.632 114.554 -0.039 0.000 2.729 2227 T HA 0.510 4.860 4.350 -0.000 0.000 0.298 2227 T C 1.201 175.881 174.700 -0.033 0.000 1.013 2227 T CA 0.630 62.705 62.100 -0.041 0.000 0.957 2227 T CB 0.077 68.911 68.868 -0.057 0.000 1.130 2227 T HN 0.994 nan 8.240 nan 0.000 0.526 2228 G N 0.844 109.626 108.800 -0.031 0.000 2.598 2228 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.269 2228 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.269 2228 G C 0.408 175.341 174.900 0.056 0.000 1.289 2228 G CA 0.519 45.620 45.100 0.000 0.000 0.926 2228 G HN 0.928 nan 8.290 nan 0.000 0.567 2229 F N 1.719 121.636 119.950 -0.056 0.000 2.041 2229 F HA -0.110 4.417 4.527 -0.000 0.000 0.296 2229 F C 2.375 178.163 175.800 -0.019 0.000 1.147 2229 F CA 2.652 60.632 58.000 -0.034 0.000 1.214 2229 F CB -1.088 37.895 39.000 -0.029 0.000 0.947 2229 F HN 0.522 nan 8.300 nan 0.000 0.511 2230 T N 3.685 118.191 114.554 -0.080 0.000 2.754 2230 T HA 0.085 4.435 4.350 -0.000 0.000 0.282 2230 T C 0.039 174.652 174.700 -0.145 0.000 0.923 2230 T CA -0.246 61.741 62.100 -0.189 0.000 1.164 2230 T CB -0.254 68.630 68.868 0.028 0.000 0.873 2230 T HN 0.132 nan 8.240 nan 0.000 0.537 2231 K N 5.082 125.361 120.400 -0.202 0.000 2.319 2231 K HA 0.085 4.405 4.320 -0.000 0.000 0.265 2231 K C -1.155 175.387 176.600 -0.096 0.000 1.000 2231 K CA -1.649 54.559 56.287 -0.131 0.000 0.943 2231 K CB 0.477 32.893 32.500 -0.139 0.000 0.950 2231 K HN 0.259 nan 8.250 nan 0.000 0.485 2232 P HA -0.164 nan 4.420 nan 0.000 0.219 2232 P C 0.035 177.302 177.300 -0.055 0.000 1.146 2232 P CA 1.429 64.499 63.100 -0.050 0.000 0.808 2232 P CB 0.322 32.001 31.700 -0.035 0.000 0.779 2233 E N 0.318 120.479 120.200 -0.064 0.000 2.285 2233 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 2233 E C 1.854 178.407 176.600 -0.078 0.000 0.997 2233 E CA 0.739 57.102 56.400 -0.062 0.000 0.845 2233 E CB -0.575 29.090 29.700 -0.059 0.000 0.782 2233 E HN 0.464 nan 8.360 nan 0.000 0.491 2234 E N 0.414 120.553 120.200 -0.101 0.000 2.358 2234 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 2234 E C 2.099 178.615 176.600 -0.140 0.000 1.010 2234 E CA 0.869 57.193 56.400 -0.126 0.000 0.856 2234 E CB -0.004 29.600 29.700 -0.159 0.000 0.795 2234 E HN 0.298 nan 8.360 nan 0.000 0.504 2235 V N -0.685 119.159 119.914 -0.115 0.000 2.407 2235 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 2235 V C -0.817 175.209 176.094 -0.112 0.000 1.055 2235 V CA 1.242 63.471 62.300 -0.118 0.000 1.049 2235 V CB -1.791 29.993 31.823 -0.064 0.000 0.662 2235 V HN 0.092 nan 8.190 nan 0.000 0.455 2236 P HA -0.009 nan 4.420 nan 0.000 0.218 2236 P C 1.572 178.822 177.300 -0.084 0.000 1.149 2236 P CA 2.138 65.196 63.100 -0.069 0.000 0.817 2236 P CB -0.245 31.424 31.700 -0.052 0.000 0.785 2237 A N -1.277 121.480 122.820 -0.106 0.000 2.251 2237 A HA 0.072 4.392 4.320 -0.000 0.000 0.209 2237 A C 0.875 178.368 177.584 -0.153 0.000 1.187 2237 A CA -0.015 51.956 52.037 -0.109 0.000 0.823 2237 A CB -1.067 17.874 19.000 -0.098 0.000 0.846 2237 A HN 0.104 nan 8.150 nan 0.000 0.486 2238 L N 0.917 122.003 121.223 -0.228 0.000 2.525 2238 L HA 0.054 4.394 4.340 -0.000 0.000 0.278 2238 L C -0.681 176.074 176.870 -0.192 0.000 1.218 2238 L CA -1.163 53.453 54.840 -0.373 0.000 0.878 2238 L CB 0.281 41.993 42.059 -0.579 0.000 1.127 2238 L HN 0.214 nan 8.230 nan 0.000 0.492 2239 P HA -0.078 nan 4.420 nan 0.000 0.217 2239 P C 0.176 177.497 177.300 0.034 0.000 1.150 2239 P CA 1.329 64.424 63.100 -0.009 0.000 0.832 2239 P CB 0.456 32.184 31.700 0.047 0.000 0.787 2240 I N 0.426 121.059 120.570 0.105 0.000 2.478 2240 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 2240 I C 0.232 176.437 176.117 0.146 0.000 1.042 2240 I CA -1.295 60.079 61.300 0.122 0.000 1.067 2240 I CB 1.626 39.717 38.000 0.152 0.000 1.233 2240 I HN -0.097 nan 8.210 nan 0.000 0.431 2241 Q N 6.647 126.485 119.800 0.064 0.000 2.352 2241 Q HA 0.319 4.659 4.340 -0.000 0.000 0.260 2241 Q C -2.015 174.028 176.000 0.072 0.000 0.976 2241 Q CA -1.244 54.590 55.803 0.053 0.000 0.881 2241 Q CB 0.871 29.612 28.738 0.005 0.000 1.235 2241 Q HN 0.376 nan 8.270 nan 0.000 0.419 2242 P HA 0.043 nan 4.420 nan 0.000 0.273 2242 P C -0.046 177.227 177.300 -0.045 0.000 1.250 2242 P CA -0.254 62.877 63.100 0.052 0.000 0.793 2242 P CB 0.927 32.679 31.700 0.087 0.000 1.011 2243 D N -0.736 119.590 120.400 -0.124 0.000 2.178 2243 D HA -0.034 4.606 4.640 -0.000 0.000 0.202 2243 D C 0.156 176.059 176.300 -0.663 0.000 0.974 2243 D CA 1.673 55.437 54.000 -0.394 0.000 0.841 2243 D CB -0.002 40.540 40.800 -0.431 0.000 0.953 2243 D HN 0.296 nan 8.370 nan 0.000 0.478 2244 F N -0.519 119.482 119.950 0.084 0.000 2.591 2244 F HA 0.355 4.882 4.527 -0.000 0.000 0.309 2244 F C -0.356 175.484 175.800 0.067 0.000 1.098 2244 F CA -1.046 57.023 58.000 0.114 0.000 0.937 2244 F CB 2.106 41.237 39.000 0.219 0.000 1.250 2244 F HN -0.447 nan 8.300 nan 0.000 0.447 2245 V N 4.261 124.333 119.914 0.263 0.000 2.577 2245 V HA 0.614 4.734 4.120 -0.000 0.000 0.303 2245 V C -0.655 175.519 176.094 0.133 0.000 1.042 2245 V CA -0.678 61.708 62.300 0.145 0.000 0.872 2245 V CB 1.957 33.833 31.823 0.088 0.000 0.998 2245 V HN 0.595 nan 8.190 nan 0.000 0.423 2246 L N 3.007 124.281 121.223 0.084 0.000 2.388 2246 L HA 0.487 4.827 4.340 -0.000 0.000 0.264 2246 L C 1.133 178.015 176.870 0.022 0.000 0.998 2246 L CA -0.480 54.399 54.840 0.064 0.000 0.817 2246 L CB 2.652 44.755 42.059 0.074 0.000 1.338 2246 L HN 0.723 nan 8.230 nan 0.000 0.414 2247 S N -0.821 114.891 115.700 0.019 0.000 2.470 2247 S HA 0.049 4.518 4.470 -0.000 0.000 0.225 2247 S C 0.594 175.190 174.600 -0.008 0.000 1.006 2247 S CA 0.224 58.426 58.200 0.003 0.000 0.934 2247 S CB 0.243 63.447 63.200 0.007 0.000 0.778 2247 S HN 0.547 nan 8.310 nan 0.000 0.517 2248 S N -0.183 115.516 115.700 -0.002 0.000 2.533 2248 S HA 0.515 4.985 4.470 -0.000 0.000 0.271 2248 S C 0.285 174.879 174.600 -0.009 0.000 1.143 2248 S CA -0.834 57.359 58.200 -0.010 0.000 0.891 2248 S CB 0.912 64.119 63.200 0.012 0.000 1.105 2248 S HN 0.086 nan 8.310 nan 0.000 0.468 2249 L N 3.219 124.407 121.223 -0.058 0.000 2.265 2249 L HA 0.006 4.346 4.340 -0.000 0.000 0.215 2249 L C 2.723 179.679 176.870 0.143 0.000 1.117 2249 L CA 2.089 56.881 54.840 -0.080 0.000 0.782 2249 L CB -2.086 39.799 42.059 -0.291 0.000 0.914 2249 L HN 0.897 nan 8.230 nan 0.000 0.441 2250 A N -0.170 122.719 122.820 0.115 0.000 2.070 2250 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 2250 A C 2.107 179.760 177.584 0.116 0.000 1.159 2250 A CA 1.188 53.304 52.037 0.132 0.000 0.656 2250 A CB -0.344 18.706 19.000 0.084 0.000 0.800 2250 A HN 0.512 nan 8.150 nan 0.000 0.453 2251 E N -1.457 118.804 120.200 0.102 0.000 2.418 2251 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 2251 E C 0.453 177.104 176.600 0.085 0.000 1.026 2251 E CA -0.232 56.213 56.400 0.076 0.000 0.862 2251 E CB -0.026 29.714 29.700 0.067 0.000 0.799 2251 E HN 0.784 nan 8.360 nan 0.000 0.518 2252 W N 2.558 123.811 121.300 -0.078 0.000 2.266 2252 W HA 0.089 4.748 4.660 -0.000 0.000 0.317 2252 W C -0.626 175.733 176.519 -0.267 0.000 1.310 2252 W CA -0.084 57.155 57.345 -0.177 0.000 1.207 2252 W CB 0.670 30.048 29.460 -0.138 0.000 1.199 2252 W HN -0.104 nan 8.180 nan 0.000 0.544 2253 D N 5.386 125.221 120.400 -0.941 0.000 2.425 2253 D HA 0.296 4.936 4.640 -0.000 0.000 0.240 2253 D C -0.680 175.082 176.300 -0.896 0.000 1.080 2253 D CA -0.377 53.220 54.000 -0.672 0.000 0.836 2253 D CB 0.588 41.143 40.800 -0.408 0.000 1.125 2253 D HN 0.061 nan 8.370 nan 0.000 0.525 2254 F N 0.000 119.766 119.950 -0.306 0.000 2.286 2254 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 2254 F CA 0.000 57.944 58.000 -0.094 0.000 1.383 2254 F CB 0.000 39.018 39.000 0.030 0.000 1.145 2254 F HN 0.000 nan 8.300 nan 0.000 0.574