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 2bji_1_B DATA FIRST_RESID 2003 DATA SEQUENCE DPWQECMDYA VTLAGQAGEV VREALKNEMN IMVKSSPADL VTATDQKVEK DATA SEQUENCE MLITSIKEKY PSHSFIGEES VAAGEKSILT DNPTWIIDPI DGTTNFVHGF DATA SEQUENCE PFVAVSIGFV VNKKMEFGIV YSCLEDKMYT GRKGKGAFCN GQKLQVSHQE DATA SEQUENCE DITKSLLVTE LGSSRTPETV RIILSNIERL LCLPIHGIRG VGTAALNMCL DATA SEQUENCE VAAGAADAYY EMGIHCWDVA GAGIIVTEAG GVLLDVTGGP FDLMSRRVIA DATA SEQUENCE SSNKTLAERI AKEIQIIPLQ RDDED 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2003 D C 0.000 176.284 176.300 -0.027 0.000 2.045 2003 D CA 0.000 53.976 54.000 -0.040 0.000 0.868 2003 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 2004 P HA -0.084 nan 4.420 nan 0.000 0.215 2004 P C 1.600 179.021 177.300 0.202 0.000 1.153 2004 P CA 0.987 64.062 63.100 -0.040 0.000 0.853 2004 P CB -0.021 31.505 31.700 -0.290 0.000 0.788 2005 W N -0.259 121.089 121.300 0.080 0.000 2.425 2005 W HA -0.097 4.562 4.660 -0.001 0.000 0.277 2005 W C 2.590 179.095 176.519 -0.024 0.000 1.231 2005 W CA -0.199 57.195 57.345 0.082 0.000 1.248 2005 W CB -0.507 29.095 29.460 0.236 0.000 1.117 2005 W HN 0.028 nan 8.180 nan 0.000 0.568 2006 Q N 1.168 121.074 119.800 0.177 0.000 2.119 2006 Q HA -0.175 4.164 4.340 -0.001 0.000 0.201 2006 Q C 1.915 177.917 176.000 0.003 0.000 0.972 2006 Q CA 1.526 57.344 55.803 0.025 0.000 0.847 2006 Q CB -0.287 28.466 28.738 0.025 0.000 0.903 2006 Q HN 0.063 nan 8.270 nan 0.000 0.433 2007 E N -0.572 119.678 120.200 0.082 0.000 2.077 2007 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 2007 E C 2.141 178.856 176.600 0.191 0.000 0.989 2007 E CA 1.110 57.583 56.400 0.122 0.000 0.800 2007 E CB -0.685 29.103 29.700 0.146 0.000 0.746 2007 E HN 0.403 nan 8.360 nan 0.000 0.452 2008 C N 0.847 120.264 119.300 0.195 0.000 2.413 2008 C HA -0.107 4.352 4.460 -0.001 0.000 0.276 2008 C C 2.824 177.920 174.990 0.177 0.000 1.236 2008 C CA 1.000 60.171 59.018 0.254 0.000 1.735 2008 C CB -0.912 26.809 27.740 -0.031 0.000 2.031 2008 C HN 0.461 nan 8.230 nan 0.000 0.474 2009 M N 0.864 120.232 119.600 -0.387 0.000 2.132 2009 M HA -0.147 4.332 4.480 -0.001 0.000 0.263 2009 M C 1.697 177.848 176.300 -0.250 0.000 1.065 2009 M CA 1.932 56.717 55.300 -0.858 0.000 1.122 2009 M CB -0.404 31.455 32.600 -1.235 0.000 1.365 2009 M HN 0.293 nan 8.290 nan 0.000 0.411 2010 D N -0.464 119.872 120.400 -0.105 0.000 2.123 2010 D HA -0.215 4.424 4.640 -0.001 0.000 0.196 2010 D C 1.702 178.033 176.300 0.051 0.000 0.992 2010 D CA 1.444 55.428 54.000 -0.026 0.000 0.833 2010 D CB -0.677 40.126 40.800 0.005 0.000 0.954 2010 D HN 0.538 nan 8.370 nan 0.000 0.455 2011 Y N 1.369 121.690 120.300 0.034 0.000 2.181 2011 Y HA -0.160 4.389 4.550 -0.001 0.000 0.288 2011 Y C 2.160 178.101 175.900 0.068 0.000 1.146 2011 Y CA 1.772 59.914 58.100 0.069 0.000 1.164 2011 Y CB -0.307 38.244 38.460 0.152 0.000 0.982 2011 Y HN -0.052 nan 8.280 nan 0.000 0.515 2012 A N -0.817 122.047 122.820 0.073 0.000 1.968 2012 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 2012 A C 2.289 179.858 177.584 -0.024 0.000 1.169 2012 A CA 1.457 53.522 52.037 0.046 0.000 0.638 2012 A CB -1.127 18.158 19.000 0.474 0.000 0.812 2012 A HN 0.342 nan 8.150 nan 0.000 0.446 2013 V N -0.235 119.655 119.914 -0.039 0.000 2.358 2013 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 2013 V C 2.733 178.740 176.094 -0.145 0.000 1.047 2013 V CA 2.458 64.714 62.300 -0.073 0.000 1.035 2013 V CB -1.106 30.669 31.823 -0.079 0.000 0.658 2013 V HN 0.590 nan 8.190 nan 0.000 0.452 2014 T N 0.209 114.664 114.554 -0.166 0.000 2.746 2014 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 2014 T C 1.903 176.473 174.700 -0.216 0.000 1.039 2014 T CA 1.391 63.379 62.100 -0.187 0.000 1.142 2014 T CB -0.245 68.519 68.868 -0.173 0.000 0.866 2014 T HN 0.258 nan 8.240 nan 0.000 0.444 2015 L N 0.546 121.594 121.223 -0.292 0.000 2.046 2015 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 2015 L C 3.030 179.820 176.870 -0.133 0.000 1.077 2015 L CA 1.357 56.040 54.840 -0.261 0.000 0.747 2015 L CB -0.694 41.152 42.059 -0.355 0.000 0.896 2015 L HN 0.274 nan 8.230 nan 0.000 0.432 2016 A N 0.067 122.830 122.820 -0.095 0.000 1.933 2016 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 2016 A C 2.342 179.878 177.584 -0.079 0.000 1.175 2016 A CA 1.716 53.740 52.037 -0.021 0.000 0.628 2016 A CB -1.169 17.848 19.000 0.028 0.000 0.814 2016 A HN 0.475 nan 8.150 nan 0.000 0.444 2017 G N -0.878 107.770 108.800 -0.253 0.000 2.446 2017 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 2017 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 2017 G C 1.607 176.466 174.900 -0.068 0.000 1.168 2017 G CA 1.059 45.967 45.100 -0.320 0.000 0.771 2017 G HN 0.635 nan 8.290 nan 0.000 0.551 2018 Q N 0.154 119.914 119.800 -0.067 0.000 2.084 2018 Q HA 0.006 4.345 4.340 -0.001 0.000 0.202 2018 Q C 3.018 179.025 176.000 0.013 0.000 0.978 2018 Q CA 1.306 57.092 55.803 -0.029 0.000 0.844 2018 Q CB -0.282 28.419 28.738 -0.060 0.000 0.898 2018 Q HN 0.478 nan 8.270 nan 0.000 0.426 2019 A N 0.746 123.578 122.820 0.020 0.000 1.933 2019 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 2019 A C 2.265 179.903 177.584 0.090 0.000 1.175 2019 A CA 1.642 53.703 52.037 0.040 0.000 0.628 2019 A CB -1.124 17.898 19.000 0.037 0.000 0.814 2019 A HN 0.493 nan 8.150 nan 0.000 0.444 2020 G N -0.695 108.234 108.800 0.214 0.000 2.443 2020 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.219 2020 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.219 2020 G C 1.374 176.370 174.900 0.160 0.000 1.131 2020 G CA 0.801 46.054 45.100 0.254 0.000 0.775 2020 G HN 0.581 nan 8.290 nan 0.000 0.547 2021 E N 0.359 120.643 120.200 0.140 0.000 2.072 2021 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 2021 E C 2.781 179.418 176.600 0.062 0.000 0.985 2021 E CA 0.854 57.305 56.400 0.085 0.000 0.801 2021 E CB -0.237 29.497 29.700 0.057 0.000 0.750 2021 E HN 0.334 nan 8.360 nan 0.000 0.452 2022 V N 1.317 121.260 119.914 0.049 0.000 2.295 2022 V HA -0.228 3.891 4.120 -0.001 0.000 0.246 2022 V C 2.558 178.687 176.094 0.058 0.000 1.049 2022 V CA 1.341 63.664 62.300 0.037 0.000 1.024 2022 V CB -0.496 31.335 31.823 0.013 0.000 0.648 2022 V HN 0.073 nan 8.190 nan 0.000 0.447 2023 V N -0.187 119.755 119.914 0.046 0.000 2.287 2023 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 2023 V C 2.585 178.799 176.094 0.199 0.000 1.053 2023 V CA 2.192 64.538 62.300 0.077 0.000 1.027 2023 V CB -0.798 31.013 31.823 -0.020 0.000 0.646 2023 V HN 0.461 nan 8.190 nan 0.000 0.447 2024 R N -0.210 120.359 120.500 0.115 0.000 2.096 2024 R HA -0.224 4.116 4.340 -0.001 0.000 0.235 2024 R C 2.359 178.709 176.300 0.082 0.000 1.127 2024 R CA 1.769 57.924 56.100 0.091 0.000 0.968 2024 R CB -0.262 30.068 30.300 0.049 0.000 0.861 2024 R HN 0.594 nan 8.270 nan 0.000 0.440 2025 E N 0.785 121.031 120.200 0.077 0.000 2.152 2025 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 2025 E C 1.677 178.319 176.600 0.069 0.000 0.983 2025 E CA 1.356 57.789 56.400 0.056 0.000 0.818 2025 E CB -0.047 29.679 29.700 0.044 0.000 0.758 2025 E HN 0.308 nan 8.360 nan 0.000 0.467 2026 A N 0.249 123.146 122.820 0.127 0.000 2.067 2026 A HA -0.044 4.275 4.320 -0.001 0.000 0.219 2026 A C 2.066 179.695 177.584 0.076 0.000 1.158 2026 A CA 0.975 53.106 52.037 0.157 0.000 0.661 2026 A CB -0.555 18.632 19.000 0.311 0.000 0.801 2026 A HN 0.380 nan 8.150 nan 0.000 0.452 2027 L N 0.044 121.302 121.223 0.058 0.000 2.275 2027 L HA -0.065 4.275 4.340 -0.001 0.000 0.215 2027 L C 2.135 178.931 176.870 -0.123 0.000 1.119 2027 L CA 2.028 56.786 54.840 -0.137 0.000 0.790 2027 L CB -0.160 41.870 42.059 -0.047 0.000 0.919 2027 L HN 0.546 nan 8.230 nan 0.000 0.443 2028 K N -1.758 118.611 120.400 -0.051 0.000 2.397 2028 K HA 0.137 4.456 4.320 -0.001 0.000 0.202 2028 K C -0.154 176.425 176.600 -0.035 0.000 1.022 2028 K CA -0.208 56.054 56.287 -0.042 0.000 1.141 2028 K CB 0.123 32.611 32.500 -0.020 0.000 0.857 2028 K HN 0.210 nan 8.250 nan 0.000 0.514 2029 N N 1.176 119.854 118.700 -0.037 0.000 2.453 2029 N HA 0.187 4.926 4.740 -0.001 0.000 0.290 2029 N C -0.894 174.590 175.510 -0.043 0.000 1.250 2029 N CA -0.586 52.448 53.050 -0.026 0.000 0.815 2029 N CB 1.600 40.086 38.487 -0.001 0.000 1.381 2029 N HN 0.088 nan 8.380 nan 0.000 0.510 2030 E N 0.972 121.154 120.200 -0.030 0.000 2.404 2030 E HA 0.188 4.537 4.350 -0.001 0.000 0.261 2030 E C -0.140 176.443 176.600 -0.028 0.000 1.074 2030 E CA 0.333 56.711 56.400 -0.037 0.000 0.917 2030 E CB 0.819 30.504 29.700 -0.025 0.000 0.965 2030 E HN 0.405 nan 8.360 nan 0.000 0.433 2031 M N 1.475 121.052 119.600 -0.038 0.000 2.528 2031 M HA 0.256 4.735 4.480 -0.001 0.000 0.321 2031 M C 0.201 176.500 176.300 -0.001 0.000 1.153 2031 M CA -0.447 54.845 55.300 -0.013 0.000 0.951 2031 M CB 1.726 34.299 32.600 -0.045 0.000 1.705 2031 M HN 0.295 nan 8.290 nan 0.000 0.451 2032 N N 2.767 121.481 118.700 0.023 0.000 2.589 2032 N HA 0.415 5.154 4.740 -0.001 0.000 0.232 2032 N C -1.591 173.938 175.510 0.032 0.000 1.015 2032 N CA -0.313 52.750 53.050 0.021 0.000 0.931 2032 N CB 0.534 39.034 38.487 0.021 0.000 1.150 2032 N HN 0.550 nan 8.380 nan 0.000 0.512 2033 I N 4.306 124.889 120.570 0.021 0.000 2.297 2033 I HA 0.247 4.416 4.170 -0.001 0.000 0.291 2033 I C -0.007 176.125 176.117 0.026 0.000 1.033 2033 I CA -0.228 61.089 61.300 0.029 0.000 1.253 2033 I CB 1.123 39.130 38.000 0.012 0.000 1.396 2033 I HN 0.368 nan 8.210 nan 0.000 0.476 2034 M N 5.562 125.180 119.600 0.031 0.000 2.578 2034 M HA 0.538 5.018 4.480 -0.001 0.000 0.321 2034 M C -0.680 175.639 176.300 0.030 0.000 1.182 2034 M CA -0.953 54.362 55.300 0.025 0.000 0.965 2034 M CB 2.491 35.102 32.600 0.018 0.000 1.694 2034 M HN 0.154 nan 8.290 nan 0.000 0.461 2035 V N 2.359 122.290 119.914 0.027 0.000 2.427 2035 V HA 0.342 4.461 4.120 -0.001 0.000 0.286 2035 V C 0.203 176.316 176.094 0.030 0.000 1.034 2035 V CA -0.410 61.909 62.300 0.032 0.000 0.893 2035 V CB 1.409 33.250 31.823 0.030 0.000 0.982 2035 V HN 0.828 nan 8.190 nan 0.000 0.452 2036 K N 2.246 122.668 120.400 0.038 0.000 3.946 2036 K HA 0.157 4.476 4.320 -0.001 0.000 0.173 2036 K C 1.749 178.376 176.600 0.045 0.000 1.146 2036 K CA 0.805 57.115 56.287 0.038 0.000 1.694 2036 K CB -0.242 32.283 32.500 0.042 0.000 2.333 2036 K HN 0.652 nan 8.250 nan 0.000 0.498 2037 S N 0.531 116.267 115.700 0.060 0.000 2.603 2037 S HA 0.020 4.489 4.470 -0.001 0.000 0.220 2037 S C 0.413 175.045 174.600 0.053 0.000 0.967 2037 S CA 0.290 58.528 58.200 0.062 0.000 0.920 2037 S CB -0.229 63.023 63.200 0.086 0.000 0.773 2037 S HN 0.391 nan 8.310 nan 0.000 0.529 2038 S N -0.286 115.444 115.700 0.049 0.000 2.627 2038 S HA 0.489 4.959 4.470 -0.001 0.000 0.268 2038 S C -3.100 171.524 174.600 0.040 0.000 1.130 2038 S CA -0.886 57.339 58.200 0.042 0.000 0.819 2038 S CB 0.676 63.901 63.200 0.042 0.000 1.100 2038 S HN -0.029 nan 8.310 nan 0.000 0.465 2039 P HA 0.221 nan 4.420 nan 0.000 0.226 2039 P C 0.835 178.160 177.300 0.042 0.000 1.153 2039 P CA 1.231 64.352 63.100 0.035 0.000 0.777 2039 P CB -0.039 31.678 31.700 0.029 0.000 0.794 2040 A N -1.125 121.721 122.820 0.043 0.000 2.348 2040 A HA 0.092 4.412 4.320 -0.001 0.000 0.224 2040 A C 0.652 178.272 177.584 0.060 0.000 1.227 2040 A CA 0.115 52.181 52.037 0.048 0.000 0.885 2040 A CB -0.447 18.573 19.000 0.034 0.000 0.933 2040 A HN -0.027 nan 8.150 nan 0.000 0.506 2041 D N 1.056 121.495 120.400 0.064 0.000 2.485 2041 D HA 0.456 5.095 4.640 -0.001 0.000 0.221 2041 D C -0.442 175.900 176.300 0.071 0.000 1.112 2041 D CA 0.018 54.064 54.000 0.076 0.000 0.911 2041 D CB -0.035 40.814 40.800 0.082 0.000 1.019 2041 D HN 0.255 nan 8.370 nan 0.000 0.516 2042 L N 2.192 123.462 121.223 0.078 0.000 2.360 2042 L HA 0.676 5.016 4.340 -0.001 0.000 0.271 2042 L C -0.073 176.837 176.870 0.067 0.000 1.057 2042 L CA -1.153 53.732 54.840 0.074 0.000 0.803 2042 L CB 1.921 44.036 42.059 0.092 0.000 1.207 2042 L HN 0.048 nan 8.230 nan 0.000 0.445 2043 V N 0.737 120.683 119.914 0.054 0.000 2.888 2043 V HA 0.637 4.756 4.120 -0.001 0.000 0.309 2043 V C -0.276 175.850 176.094 0.052 0.000 1.114 2043 V CA -0.134 62.190 62.300 0.039 0.000 0.940 2043 V CB 2.618 34.444 31.823 0.005 0.000 1.021 2043 V HN 0.963 nan 8.190 nan 0.000 0.426 2044 T N 2.880 117.471 114.554 0.063 0.000 2.949 2044 T HA 0.726 5.075 4.350 -0.001 0.000 0.287 2044 T C 1.154 175.879 174.700 0.041 0.000 1.034 2044 T CA 0.038 62.191 62.100 0.087 0.000 1.018 2044 T CB 1.810 70.805 68.868 0.212 0.000 1.135 2044 T HN 1.292 nan 8.240 nan 0.000 0.532 2045 A N 0.745 123.594 122.820 0.047 0.000 1.972 2045 A HA 0.012 4.331 4.320 -0.001 0.000 0.219 2045 A C 2.319 179.906 177.584 0.005 0.000 1.169 2045 A CA 2.186 54.235 52.037 0.020 0.000 0.635 2045 A CB -1.787 17.227 19.000 0.025 0.000 0.810 2045 A HN 0.932 nan 8.150 nan 0.000 0.446 2046 T N 0.495 115.066 114.554 0.027 0.000 2.746 2046 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 2046 T C 1.410 176.040 174.700 -0.118 0.000 1.039 2046 T CA 1.786 63.867 62.100 -0.032 0.000 1.142 2046 T CB -0.545 68.312 68.868 -0.018 0.000 0.866 2046 T HN 0.615 nan 8.240 nan 0.000 0.444 2047 D N 1.260 121.578 120.400 -0.137 0.000 2.116 2047 D HA -0.120 4.519 4.640 -0.001 0.000 0.193 2047 D C 2.406 178.640 176.300 -0.110 0.000 0.998 2047 D CA 1.168 55.080 54.000 -0.147 0.000 0.836 2047 D CB -0.229 40.500 40.800 -0.118 0.000 0.951 2047 D HN 0.457 nan 8.370 nan 0.000 0.449 2048 Q N -0.056 119.695 119.800 -0.082 0.000 2.119 2048 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 2048 Q C 2.083 178.041 176.000 -0.069 0.000 0.972 2048 Q CA 0.905 56.663 55.803 -0.075 0.000 0.847 2048 Q CB -0.027 28.678 28.738 -0.055 0.000 0.903 2048 Q HN 0.212 nan 8.270 nan 0.000 0.433 2049 K N 0.504 120.870 120.400 -0.057 0.000 2.057 2049 K HA -0.117 4.202 4.320 -0.001 0.000 0.206 2049 K C 1.940 178.505 176.600 -0.059 0.000 1.050 2049 K CA 1.023 57.280 56.287 -0.050 0.000 0.935 2049 K CB 0.100 32.580 32.500 -0.034 0.000 0.715 2049 K HN 0.008 nan 8.250 nan 0.000 0.439 2050 V N 1.525 121.397 119.914 -0.069 0.000 2.358 2050 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 2050 V C 2.303 178.356 176.094 -0.069 0.000 1.047 2050 V CA 2.113 64.373 62.300 -0.067 0.000 1.035 2050 V CB -0.410 31.365 31.823 -0.081 0.000 0.658 2050 V HN 0.472 nan 8.190 nan 0.000 0.452 2051 E N 0.184 120.335 120.200 -0.081 0.000 2.077 2051 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 2051 E C 2.260 178.806 176.600 -0.091 0.000 0.989 2051 E CA 1.272 57.622 56.400 -0.085 0.000 0.800 2051 E CB -0.024 29.611 29.700 -0.108 0.000 0.746 2051 E HN 0.556 nan 8.360 nan 0.000 0.452 2052 K N 0.171 120.517 120.400 -0.089 0.000 2.057 2052 K HA -0.156 4.163 4.320 -0.001 0.000 0.207 2052 K C 2.259 178.802 176.600 -0.095 0.000 1.049 2052 K CA 1.340 57.570 56.287 -0.094 0.000 0.931 2052 K CB -0.222 32.232 32.500 -0.077 0.000 0.714 2052 K HN 0.264 nan 8.250 nan 0.000 0.440 2053 M N 1.327 120.880 119.600 -0.077 0.000 2.080 2053 M HA -0.176 4.304 4.480 -0.001 0.000 0.260 2053 M C 1.924 178.174 176.300 -0.083 0.000 1.068 2053 M CA 1.718 56.976 55.300 -0.070 0.000 1.109 2053 M CB -0.420 32.147 32.600 -0.055 0.000 1.342 2053 M HN 0.151 nan 8.290 nan 0.000 0.405 2054 L N -0.153 121.022 121.223 -0.081 0.000 2.005 2054 L HA -0.231 4.108 4.340 -0.001 0.000 0.207 2054 L C 2.516 179.309 176.870 -0.128 0.000 1.072 2054 L CA 1.249 56.041 54.840 -0.080 0.000 0.744 2054 L CB -0.653 41.384 42.059 -0.036 0.000 0.895 2054 L HN 0.281 nan 8.230 nan 0.000 0.433 2055 I N -0.197 120.267 120.570 -0.177 0.000 2.226 2055 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 2055 I C 2.759 178.637 176.117 -0.398 0.000 1.100 2055 I CA 1.842 62.917 61.300 -0.376 0.000 1.374 2055 I CB -0.607 37.158 38.000 -0.393 0.000 1.057 2055 I HN 0.465 nan 8.210 nan 0.000 0.413 2056 T N -2.622 111.788 114.554 -0.240 0.000 2.821 2056 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 2056 T C 2.035 176.647 174.700 -0.147 0.000 1.046 2056 T CA 1.554 63.538 62.100 -0.193 0.000 1.139 2056 T CB -0.373 68.418 68.868 -0.128 0.000 0.871 2056 T HN 0.249 nan 8.240 nan 0.000 0.454 2057 S N 0.965 116.602 115.700 -0.106 0.000 2.355 2057 S HA 0.018 4.487 4.470 -0.001 0.000 0.222 2057 S C 2.021 176.618 174.600 -0.006 0.000 1.031 2057 S CA 1.084 59.267 58.200 -0.028 0.000 0.993 2057 S CB -0.605 62.604 63.200 0.015 0.000 0.859 2057 S HN 0.608 nan 8.310 nan 0.000 0.453 2058 I N 1.284 121.831 120.570 -0.038 0.000 2.252 2058 I HA -0.127 4.042 4.170 -0.001 0.000 0.245 2058 I C 2.618 178.769 176.117 0.056 0.000 1.102 2058 I CA 1.289 62.584 61.300 -0.009 0.000 1.385 2058 I CB -0.347 37.489 38.000 -0.273 0.000 1.064 2058 I HN 0.308 nan 8.210 nan 0.000 0.414 2059 K N 1.133 121.489 120.400 -0.073 0.000 2.097 2059 K HA -0.271 4.049 4.320 -0.001 0.000 0.206 2059 K C 2.058 178.657 176.600 -0.002 0.000 1.049 2059 K CA 1.820 58.120 56.287 0.023 0.000 0.933 2059 K CB 0.020 32.340 32.500 -0.301 0.000 0.717 2059 K HN 0.213 nan 8.250 nan 0.000 0.442 2060 E N 0.796 120.945 120.200 -0.085 0.000 2.106 2060 E HA -0.184 4.165 4.350 -0.001 0.000 0.192 2060 E C 1.846 178.342 176.600 -0.173 0.000 0.984 2060 E CA 1.369 57.708 56.400 -0.100 0.000 0.806 2060 E CB 0.096 29.738 29.700 -0.096 0.000 0.750 2060 E HN 0.203 nan 8.360 nan 0.000 0.458 2061 K N -1.183 119.036 120.400 -0.302 0.000 2.167 2061 K HA -0.063 4.256 4.320 -0.001 0.000 0.203 2061 K C -0.219 175.929 176.600 -0.752 0.000 1.052 2061 K CA 0.775 56.676 56.287 -0.644 0.000 0.956 2061 K CB 0.192 32.051 32.500 -1.068 0.000 0.735 2061 K HN 0.146 nan 8.250 nan 0.000 0.451 2062 Y N 0.109 120.350 120.300 -0.098 0.000 2.511 2062 Y HA 0.272 4.821 4.550 -0.001 0.000 0.356 2062 Y C -2.144 173.756 175.900 -0.000 0.000 1.002 2062 Y CA -2.555 55.450 58.100 -0.158 0.000 1.127 2062 Y CB 1.259 39.483 38.460 -0.393 0.000 1.137 2062 Y HN 0.095 nan 8.280 nan 0.000 0.652 2063 P HA -0.134 nan 4.420 nan 0.000 0.225 2063 P C 1.308 178.747 177.300 0.231 0.000 1.148 2063 P CA 1.425 64.628 63.100 0.171 0.000 0.779 2063 P CB 0.325 32.078 31.700 0.088 0.000 0.780 2064 S N -2.556 113.300 115.700 0.260 0.000 2.558 2064 S HA -0.005 4.464 4.470 -0.001 0.000 0.217 2064 S C 0.859 175.692 174.600 0.387 0.000 0.975 2064 S CA -0.396 57.981 58.200 0.294 0.000 0.912 2064 S CB -1.175 62.192 63.200 0.278 0.000 0.776 2064 S HN 0.270 nan 8.310 nan 0.000 0.526 2065 H N 0.860 120.081 119.070 0.251 0.000 2.597 2065 H HA 0.454 5.009 4.556 -0.001 0.000 0.370 2065 H C -0.121 175.204 175.328 -0.005 0.000 1.281 2065 H CA -0.488 55.634 56.048 0.124 0.000 1.422 2065 H CB 0.836 30.750 29.762 0.253 0.000 1.524 2065 H HN 0.194 nan 8.280 nan 0.000 0.607 2066 S N 0.337 115.971 115.700 -0.111 0.000 2.638 2066 S HA 0.457 4.927 4.470 -0.001 0.000 0.298 2066 S C -1.092 173.203 174.600 -0.508 0.000 1.111 2066 S CA -0.673 57.444 58.200 -0.138 0.000 1.027 2066 S CB 0.778 63.933 63.200 -0.075 0.000 1.064 2066 S HN 0.305 nan 8.310 nan 0.000 0.525 2067 F N 0.972 121.034 119.950 0.186 0.000 2.565 2067 F HA 0.621 5.147 4.527 -0.001 0.000 0.313 2067 F C -0.414 175.469 175.800 0.137 0.000 1.091 2067 F CA -0.708 57.408 58.000 0.193 0.000 0.915 2067 F CB 1.335 40.426 39.000 0.151 0.000 1.208 2067 F HN 0.271 nan 8.300 nan 0.000 0.453 2068 I N 2.134 122.884 120.570 0.300 0.000 2.497 2068 I HA 0.578 4.748 4.170 -0.001 0.000 0.284 2068 I C -0.233 176.027 176.117 0.237 0.000 1.060 2068 I CA -0.428 61.023 61.300 0.251 0.000 1.071 2068 I CB 1.831 39.984 38.000 0.255 0.000 1.216 2068 I HN 0.701 nan 8.210 nan 0.000 0.442 2069 G N 3.394 112.245 108.800 0.086 0.000 2.495 2069 G HA2 0.312 4.271 3.960 -0.001 0.000 0.318 2069 G HA3 0.312 4.271 3.960 -0.001 0.000 0.318 2069 G C 0.290 174.880 174.900 -0.517 0.000 1.257 2069 G CA -0.325 44.712 45.100 -0.104 0.000 0.962 2069 G HN 0.722 nan 8.290 nan 0.000 0.483 2070 E N 0.761 120.340 120.200 -1.035 0.000 2.038 2070 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 2070 E C 1.555 177.686 176.600 -0.780 0.000 1.000 2070 E CA 1.463 56.839 56.400 -1.706 0.000 0.803 2070 E CB 0.168 28.905 29.700 -1.605 0.000 0.750 2070 E HN 0.495 nan 8.360 nan 0.000 0.448 2071 E N 0.143 120.064 120.200 -0.464 0.000 2.285 2071 E HA -0.030 4.319 4.350 -0.001 0.000 0.194 2071 E C 2.168 178.647 176.600 -0.201 0.000 0.997 2071 E CA 0.416 56.655 56.400 -0.269 0.000 0.845 2071 E CB 0.019 29.606 29.700 -0.189 0.000 0.782 2071 E HN 0.139 nan 8.360 nan 0.000 0.491 2072 S N 0.758 116.338 115.700 -0.200 0.000 2.368 2072 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 2072 S C 2.218 176.761 174.600 -0.096 0.000 1.030 2072 S CA 0.879 59.008 58.200 -0.119 0.000 0.999 2072 S CB -0.133 63.017 63.200 -0.082 0.000 0.844 2072 S HN 0.065 nan 8.310 nan 0.000 0.459 2073 V N 1.956 121.786 119.914 -0.139 0.000 2.427 2073 V HA -0.167 3.952 4.120 -0.001 0.000 0.248 2073 V C 2.608 178.667 176.094 -0.058 0.000 1.051 2073 V CA 1.597 63.858 62.300 -0.064 0.000 1.048 2073 V CB -1.125 30.684 31.823 -0.024 0.000 0.666 2073 V HN 0.535 nan 8.190 nan 0.000 0.456 2074 A N -0.064 122.690 122.820 -0.111 0.000 1.972 2074 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 2074 A C 2.117 179.675 177.584 -0.044 0.000 1.169 2074 A CA 1.781 53.778 52.037 -0.067 0.000 0.635 2074 A CB -0.497 18.450 19.000 -0.087 0.000 0.810 2074 A HN 0.608 nan 8.150 nan 0.000 0.446 2075 A N -1.923 120.865 122.820 -0.053 0.000 2.327 2075 A HA 0.454 4.773 4.320 -0.001 0.000 0.228 2075 A C 1.517 179.090 177.584 -0.020 0.000 1.275 2075 A CA 1.025 53.041 52.037 -0.035 0.000 0.875 2075 A CB -0.902 18.072 19.000 -0.044 0.000 0.925 2075 A HN 1.808 nan 8.150 nan 0.000 0.493 2076 G N -1.012 107.781 108.800 -0.011 0.000 2.184 2076 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.206 2076 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.206 2076 G C -0.124 174.785 174.900 0.014 0.000 0.995 2076 G CA -0.006 45.097 45.100 0.005 0.000 0.651 2076 G HN 0.428 nan 8.290 nan 0.000 0.511 2077 E N 1.228 121.435 120.200 0.012 0.000 2.373 2077 E HA 0.351 4.700 4.350 -0.001 0.000 0.263 2077 E C 0.619 177.250 176.600 0.051 0.000 1.073 2077 E CA -0.050 56.369 56.400 0.032 0.000 0.894 2077 E CB 0.731 30.451 29.700 0.033 0.000 1.008 2077 E HN 0.603 nan 8.360 nan 0.000 0.420 2078 K N 0.259 120.696 120.400 0.061 0.000 2.126 2078 K HA 0.240 4.559 4.320 -0.001 0.000 0.257 2078 K C 0.315 176.971 176.600 0.093 0.000 1.007 2078 K CA -0.427 55.901 56.287 0.069 0.000 0.928 2078 K CB 0.657 33.191 32.500 0.056 0.000 1.013 2078 K HN 0.235 nan 8.250 nan 0.000 0.473 2079 S N 3.015 118.776 115.700 0.102 0.000 2.497 2079 S HA 0.245 4.714 4.470 -0.001 0.000 0.176 2079 S C -0.515 174.136 174.600 0.084 0.000 1.445 2079 S CA -0.840 57.440 58.200 0.133 0.000 1.092 2079 S CB -0.341 62.975 63.200 0.193 0.000 1.216 2079 S HN 0.595 nan 8.310 nan 0.000 0.486 2080 I N 3.882 124.491 120.570 0.064 0.000 2.441 2080 I HA 0.556 4.725 4.170 -0.001 0.000 0.295 2080 I C -1.647 174.476 176.117 0.010 0.000 0.994 2080 I CA -1.250 60.067 61.300 0.029 0.000 1.144 2080 I CB 1.682 39.696 38.000 0.024 0.000 1.314 2080 I HN 0.459 nan 8.210 nan 0.000 0.445 2081 L N 8.335 129.546 121.223 -0.019 0.000 2.280 2081 L HA 0.488 4.827 4.340 -0.001 0.000 0.287 2081 L C 0.111 176.942 176.870 -0.065 0.000 1.023 2081 L CA 0.123 54.931 54.840 -0.054 0.000 0.819 2081 L CB 1.304 43.319 42.059 -0.072 0.000 1.212 2081 L HN 0.772 nan 8.230 nan 0.000 0.420 2082 T N -0.478 114.030 114.554 -0.077 0.000 2.889 2082 T HA 0.385 4.734 4.350 -0.001 0.000 0.278 2082 T C 0.566 175.197 174.700 -0.115 0.000 0.995 2082 T CA -0.612 61.442 62.100 -0.077 0.000 0.966 2082 T CB 0.839 69.673 68.868 -0.057 0.000 1.237 2082 T HN 0.455 nan 8.240 nan 0.000 0.591 2083 D N 0.094 120.433 120.400 -0.102 0.000 2.312 2083 D HA 0.033 4.672 4.640 -0.001 0.000 0.211 2083 D C 0.673 176.874 176.300 -0.164 0.000 0.964 2083 D CA 0.517 54.444 54.000 -0.122 0.000 0.877 2083 D CB -0.510 40.243 40.800 -0.079 0.000 0.924 2083 D HN 0.494 nan 8.370 nan 0.000 0.515 2084 N N 1.268 119.877 118.700 -0.151 0.000 2.353 2084 N HA -0.005 4.734 4.740 -0.001 0.000 0.248 2084 N C -2.609 172.684 175.510 -0.362 0.000 1.240 2084 N CA -0.881 52.061 53.050 -0.180 0.000 0.862 2084 N CB 0.610 39.032 38.487 -0.108 0.000 1.086 2084 N HN -0.164 nan 8.380 nan 0.000 0.453 2085 P HA 0.034 nan 4.420 nan 0.000 0.260 2085 P C -1.130 175.685 177.300 -0.809 0.000 1.185 2085 P CA 0.448 62.956 63.100 -0.986 0.000 0.763 2085 P CB 0.438 31.368 31.700 -1.283 0.000 0.776 2086 T N 3.926 117.945 114.554 -0.892 0.000 2.841 2086 T HA 0.345 4.694 4.350 -0.001 0.000 0.285 2086 T C -1.031 173.326 174.700 -0.573 0.000 0.991 2086 T CA -0.340 61.425 62.100 -0.558 0.000 0.966 2086 T CB 0.518 69.171 68.868 -0.359 0.000 0.962 2086 T HN 0.192 nan 8.240 nan 0.000 0.438 2087 W N 3.399 124.511 121.300 -0.314 0.000 2.361 2087 W HA 0.634 5.293 4.660 -0.001 0.000 0.309 2087 W C -0.204 176.341 176.519 0.044 0.000 1.122 2087 W CA -0.898 56.411 57.345 -0.061 0.000 1.208 2087 W CB 0.424 29.939 29.460 0.091 0.000 1.246 2087 W HN 0.394 nan 8.180 nan 0.000 0.490 2088 I N 5.676 126.402 120.570 0.261 0.000 2.382 2088 I HA 0.380 4.549 4.170 -0.001 0.000 0.285 2088 I C -0.453 175.846 176.117 0.303 0.000 1.007 2088 I CA -0.770 60.684 61.300 0.256 0.000 1.142 2088 I CB 0.629 38.730 38.000 0.168 0.000 1.289 2088 I HN 0.241 nan 8.210 nan 0.000 0.453 2089 I N 5.172 125.919 120.570 0.295 0.000 2.433 2089 I HA 0.313 4.482 4.170 -0.001 0.000 0.292 2089 I C -0.683 175.510 176.117 0.127 0.000 1.001 2089 I CA -0.434 61.001 61.300 0.225 0.000 1.119 2089 I CB 2.157 40.273 38.000 0.194 0.000 1.289 2089 I HN 0.453 nan 8.210 nan 0.000 0.438 2090 D N 8.571 129.056 120.400 0.142 0.000 2.453 2090 D HA 0.288 4.927 4.640 -0.001 0.000 0.238 2090 D C -1.790 174.527 176.300 0.029 0.000 1.088 2090 D CA -2.146 51.891 54.000 0.060 0.000 0.854 2090 D CB 2.213 43.142 40.800 0.216 0.000 1.076 2090 D HN 0.176 nan 8.370 nan 0.000 0.533 2091 P HA 0.007 nan 4.420 nan 0.000 0.217 2091 P C 0.344 177.607 177.300 -0.060 0.000 1.151 2091 P CA 0.689 63.761 63.100 -0.047 0.000 0.828 2091 P CB 0.906 32.550 31.700 -0.093 0.000 0.788 2092 I N -0.075 120.449 120.570 -0.076 0.000 2.531 2092 I HA 0.256 4.425 4.170 -0.001 0.000 0.283 2092 I C -0.875 175.242 176.117 -0.000 0.000 1.083 2092 I CA -0.787 60.460 61.300 -0.087 0.000 1.071 2092 I CB 1.999 39.856 38.000 -0.237 0.000 1.210 2092 I HN -0.263 nan 8.210 nan 0.000 0.450 2093 D N 5.355 125.788 120.400 0.055 0.000 2.317 2093 D HA 0.550 5.189 4.640 -0.001 0.000 0.234 2093 D C 0.644 177.009 176.300 0.108 0.000 1.112 2093 D CA 0.460 54.523 54.000 0.105 0.000 0.840 2093 D CB 1.071 41.946 40.800 0.125 0.000 1.078 2093 D HN 0.820 nan 8.370 nan 0.000 0.486 2094 G N 2.748 111.621 108.800 0.122 0.000 2.580 2094 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.204 2094 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.204 2094 G C 1.037 176.042 174.900 0.176 0.000 1.107 2094 G CA 0.086 45.276 45.100 0.150 0.000 0.881 2094 G HN 0.507 nan 8.290 nan 0.000 0.497 2095 T N 0.299 114.944 114.554 0.151 0.000 2.720 2095 T HA -0.139 4.211 4.350 -0.001 0.000 0.268 2095 T C 2.647 177.502 174.700 0.257 0.000 1.037 2095 T CA 2.300 64.514 62.100 0.190 0.000 1.144 2095 T CB -0.198 68.747 68.868 0.128 0.000 0.864 2095 T HN 0.517 nan 8.240 nan 0.000 0.444 2096 T N 2.392 117.066 114.554 0.199 0.000 2.746 2096 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 2096 T C 2.054 176.926 174.700 0.288 0.000 1.039 2096 T CA 1.046 63.279 62.100 0.222 0.000 1.142 2096 T CB -0.405 68.544 68.868 0.135 0.000 0.866 2096 T HN 0.306 nan 8.240 nan 0.000 0.444 2097 N N 0.994 119.843 118.700 0.248 0.000 2.104 2097 N HA -0.071 4.668 4.740 -0.001 0.000 0.190 2097 N C 1.472 177.188 175.510 0.344 0.000 1.024 2097 N CA 0.893 54.137 53.050 0.323 0.000 0.853 2097 N CB -0.669 38.042 38.487 0.374 0.000 1.008 2097 N HN 0.370 nan 8.380 nan 0.000 0.424 2098 F N 1.639 121.682 119.950 0.154 0.000 2.126 2098 F HA -0.140 4.386 4.527 -0.001 0.000 0.299 2098 F C 2.100 177.944 175.800 0.074 0.000 1.096 2098 F CA 0.919 58.977 58.000 0.097 0.000 1.255 2098 F CB -0.471 38.568 39.000 0.065 0.000 0.997 2098 F HN -0.193 nan 8.300 nan 0.000 0.479 2099 V N -0.065 119.862 119.914 0.021 0.000 2.490 2099 V HA -0.301 3.818 4.120 -0.001 0.000 0.250 2099 V C 2.142 178.058 176.094 -0.296 0.000 1.061 2099 V CA 2.226 64.408 62.300 -0.198 0.000 1.064 2099 V CB -0.835 30.933 31.823 -0.093 0.000 0.670 2099 V HN 0.467 nan 8.190 nan 0.000 0.461 2100 H N -0.915 118.147 119.070 -0.014 0.000 2.648 2100 H HA 0.242 4.797 4.556 -0.001 0.000 0.265 2100 H C 1.943 177.292 175.328 0.034 0.000 0.961 2100 H CA 0.838 56.899 56.048 0.022 0.000 1.185 2100 H CB 0.731 30.538 29.762 0.075 0.000 1.449 2100 H HN 0.500 nan 8.280 nan 0.000 0.523 2101 G N 1.581 110.443 108.800 0.102 0.000 2.147 2101 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.244 2101 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.244 2101 G C -0.039 174.940 174.900 0.131 0.000 1.005 2101 G CA 0.067 45.204 45.100 0.061 0.000 0.713 2101 G HN 0.354 nan 8.290 nan 0.000 0.515 2102 F N 2.581 122.588 119.950 0.095 0.000 2.506 2102 F HA 0.455 4.981 4.527 -0.001 0.000 0.371 2102 F C -0.674 175.182 175.800 0.092 0.000 1.078 2102 F CA -1.580 56.484 58.000 0.106 0.000 1.195 2102 F CB 1.037 40.116 39.000 0.131 0.000 1.099 2102 F HN -0.011 nan 8.300 nan 0.000 0.548 2103 P HA 0.005 nan 4.420 nan 0.000 0.258 2103 P C -0.953 175.982 177.300 -0.607 0.000 1.559 2103 P CA 0.524 63.391 63.100 -0.389 0.000 0.855 2103 P CB -0.664 30.734 31.700 -0.503 0.000 1.594 2104 F N -0.020 119.959 119.950 0.047 0.000 2.552 2104 F HA 0.284 4.810 4.527 -0.001 0.000 0.369 2104 F C -0.097 175.780 175.800 0.127 0.000 1.112 2104 F CA -0.875 57.182 58.000 0.095 0.000 1.129 2104 F CB 1.631 40.722 39.000 0.151 0.000 1.360 2104 F HN -0.304 nan 8.300 nan 0.000 0.473 2105 V N 2.500 122.510 119.914 0.161 0.000 2.569 2105 V HA 0.850 4.970 4.120 -0.001 0.000 0.301 2105 V C -0.442 175.686 176.094 0.057 0.000 1.044 2105 V CA -0.849 61.531 62.300 0.134 0.000 0.874 2105 V CB 1.656 33.565 31.823 0.144 0.000 1.002 2105 V HN 0.668 nan 8.190 nan 0.000 0.424 2106 A N 4.261 127.125 122.820 0.073 0.000 2.374 2106 A HA 0.926 5.246 4.320 -0.001 0.000 0.317 2106 A C -0.864 176.759 177.584 0.066 0.000 1.094 2106 A CA -0.651 51.426 52.037 0.068 0.000 0.765 2106 A CB 1.908 20.970 19.000 0.103 0.000 1.268 2106 A HN 0.665 nan 8.150 nan 0.000 0.438 2107 V N 1.512 121.489 119.914 0.105 0.000 2.394 2107 V HA 0.601 4.720 4.120 -0.001 0.000 0.282 2107 V C 0.411 176.607 176.094 0.170 0.000 1.031 2107 V CA -0.208 62.169 62.300 0.128 0.000 0.881 2107 V CB 1.290 33.210 31.823 0.161 0.000 0.982 2107 V HN 0.875 nan 8.190 nan 0.000 0.451 2108 S N 5.991 121.787 115.700 0.160 0.000 2.561 2108 S HA 0.766 5.235 4.470 -0.001 0.000 0.303 2108 S C -0.950 173.778 174.600 0.214 0.000 1.110 2108 S CA -0.539 57.773 58.200 0.186 0.000 1.034 2108 S CB 0.696 63.999 63.200 0.172 0.000 1.010 2108 S HN 0.552 nan 8.310 nan 0.000 0.482 2109 I N 3.964 124.682 120.570 0.248 0.000 2.439 2109 I HA 0.479 4.648 4.170 -0.001 0.000 0.285 2109 I C 0.478 176.758 176.117 0.271 0.000 1.021 2109 I CA -0.773 60.713 61.300 0.310 0.000 1.091 2109 I CB 1.992 40.231 38.000 0.399 0.000 1.242 2109 I HN 0.730 nan 8.210 nan 0.000 0.439 2110 G N 5.270 114.188 108.800 0.198 0.000 2.415 2110 G HA2 0.598 4.557 3.960 -0.001 0.000 0.327 2110 G HA3 0.598 4.557 3.960 -0.001 0.000 0.327 2110 G C -1.606 173.203 174.900 -0.152 0.000 1.182 2110 G CA -0.403 44.717 45.100 0.034 0.000 0.924 2110 G HN 0.456 nan 8.290 nan 0.000 0.470 2111 F N 3.424 122.914 119.950 -0.766 0.000 2.426 2111 F HA 0.613 5.139 4.527 -0.001 0.000 0.348 2111 F C -0.631 174.638 175.800 -0.884 0.000 1.124 2111 F CA -0.730 56.531 58.000 -1.231 0.000 1.008 2111 F CB 1.817 39.398 39.000 -2.366 0.000 1.139 2111 F HN 0.299 nan 8.300 nan 0.000 0.452 2112 V N 6.897 126.145 119.914 -1.109 0.000 2.487 2112 V HA 0.561 4.680 4.120 -0.001 0.000 0.298 2112 V C -0.827 174.700 176.094 -0.945 0.000 1.028 2112 V CA -0.804 61.026 62.300 -0.784 0.000 0.860 2112 V CB 1.594 33.147 31.823 -0.450 0.000 0.991 2112 V HN 0.564 nan 8.190 nan 0.000 0.427 2113 V N 3.674 123.153 119.914 -0.725 0.000 2.656 2113 V HA 0.456 4.576 4.120 -0.001 0.000 0.307 2113 V C 0.481 176.400 176.094 -0.292 0.000 1.051 2113 V CA -0.861 61.090 62.300 -0.581 0.000 0.893 2113 V CB 1.556 33.027 31.823 -0.588 0.000 0.999 2113 V HN 1.025 nan 8.190 nan 0.000 0.426 2114 N N 3.131 121.703 118.700 -0.212 0.000 2.708 2114 N HA -0.232 4.507 4.740 -0.001 0.000 0.249 2114 N C 0.343 175.775 175.510 -0.130 0.000 1.097 2114 N CA 0.756 53.728 53.050 -0.130 0.000 0.710 2114 N CB -0.780 37.663 38.487 -0.073 0.000 1.032 2114 N HN 0.882 nan 8.380 nan 0.000 0.551 2115 K N -2.650 117.647 120.400 -0.173 0.000 3.341 2115 K HA -0.226 4.094 4.320 -0.001 0.000 0.305 2115 K C -0.878 175.643 176.600 -0.131 0.000 1.270 2115 K CA 1.228 57.424 56.287 -0.151 0.000 0.897 2115 K CB -0.969 31.463 32.500 -0.112 0.000 1.264 2115 K HN 0.440 nan 8.250 nan 0.000 0.468 2116 K N 0.774 121.086 120.400 -0.147 0.000 2.292 2116 K HA 0.427 4.746 4.320 -0.001 0.000 0.257 2116 K C 0.198 176.707 176.600 -0.152 0.000 0.940 2116 K CA -0.680 55.544 56.287 -0.105 0.000 0.811 2116 K CB 1.323 33.782 32.500 -0.069 0.000 1.120 2116 K HN -0.005 nan 8.250 nan 0.000 0.428 2117 M N 2.627 122.170 119.600 -0.095 0.000 2.284 2117 M HA -0.094 4.385 4.480 -0.001 0.000 0.351 2117 M C 1.089 177.326 176.300 -0.105 0.000 1.443 2117 M CA 0.561 55.793 55.300 -0.114 0.000 1.031 2117 M CB 0.280 32.863 32.600 -0.028 0.000 1.893 2117 M HN 0.696 nan 8.290 nan 0.000 0.456 2118 E N 3.657 123.746 120.200 -0.184 0.000 2.207 2118 E HA 0.170 4.519 4.350 -0.001 0.000 0.197 2118 E C -0.526 176.148 176.600 0.123 0.000 0.914 2118 E CA 0.848 57.217 56.400 -0.052 0.000 0.914 2118 E CB 0.501 30.108 29.700 -0.156 0.000 0.893 2118 E HN 0.503 nan 8.360 nan 0.000 0.479 2119 F N -1.959 118.023 119.950 0.053 0.000 2.643 2119 F HA 0.873 5.400 4.527 -0.001 0.000 0.314 2119 F C -0.125 175.719 175.800 0.074 0.000 1.096 2119 F CA -0.935 57.108 58.000 0.071 0.000 0.953 2119 F CB 1.289 40.331 39.000 0.069 0.000 1.345 2119 F HN -0.046 nan 8.300 nan 0.000 0.468 2120 G N 1.028 110.072 108.800 0.407 0.000 2.719 2120 G HA2 0.678 4.637 3.960 -0.001 0.000 0.298 2120 G HA3 0.678 4.637 3.960 -0.001 0.000 0.298 2120 G C -2.169 172.934 174.900 0.338 0.000 1.411 2120 G CA -0.933 44.345 45.100 0.296 0.000 0.991 2120 G HN 0.792 nan 8.290 nan 0.000 0.509 2121 I N 1.120 121.880 120.570 0.316 0.000 2.478 2121 I HA 0.432 4.601 4.170 -0.001 0.000 0.287 2121 I C -0.740 175.533 176.117 0.259 0.000 1.042 2121 I CA -1.057 60.412 61.300 0.281 0.000 1.067 2121 I CB 2.507 40.674 38.000 0.278 0.000 1.233 2121 I HN 0.150 nan 8.210 nan 0.000 0.431 2122 V N 6.279 126.361 119.914 0.281 0.000 2.419 2122 V HA 0.262 4.381 4.120 -0.001 0.000 0.287 2122 V C -1.174 175.156 176.094 0.394 0.000 1.017 2122 V CA -0.713 61.752 62.300 0.275 0.000 0.844 2122 V CB 1.525 33.452 31.823 0.173 0.000 1.011 2122 V HN 0.483 nan 8.190 nan 0.000 0.429 2123 Y N 3.803 124.212 120.300 0.181 0.000 2.385 2123 Y HA 0.504 5.053 4.550 -0.001 0.000 0.341 2123 Y C 0.623 176.615 175.900 0.154 0.000 0.965 2123 Y CA -0.911 57.283 58.100 0.157 0.000 1.180 2123 Y CB 1.650 40.167 38.460 0.095 0.000 1.139 2123 Y HN 0.583 nan 8.280 nan 0.000 0.502 2124 S N 5.771 121.491 115.700 0.033 0.000 2.416 2124 S HA 0.129 4.599 4.470 -0.001 0.000 0.302 2124 S C 0.922 175.229 174.600 -0.488 0.000 1.120 2124 S CA -0.552 57.590 58.200 -0.096 0.000 1.067 2124 S CB -0.709 62.574 63.200 0.138 0.000 1.057 2124 S HN 0.942 nan 8.310 nan 0.000 0.518 2125 C N 4.579 123.551 119.300 -0.548 0.000 2.425 2125 C HA -0.017 4.443 4.460 -0.001 0.000 0.277 2125 C C 2.129 176.919 174.990 -0.333 0.000 1.280 2125 C CA 0.283 58.935 59.018 -0.611 0.000 1.744 2125 C CB -1.234 26.349 27.740 -0.261 0.000 1.989 2125 C HN 0.828 nan 8.230 nan 0.000 0.491 2126 L N -0.081 120.996 121.223 -0.243 0.000 2.585 2126 L HA 0.118 4.457 4.340 -0.001 0.000 0.226 2126 L C 2.097 178.846 176.870 -0.202 0.000 1.113 2126 L CA 1.125 55.853 54.840 -0.186 0.000 0.876 2126 L CB -0.368 41.585 42.059 -0.177 0.000 1.072 2126 L HN 0.325 nan 8.230 nan 0.000 0.468 2127 E N -1.079 118.988 120.200 -0.221 0.000 2.460 2127 E HA -0.039 4.310 4.350 -0.001 0.000 0.200 2127 E C -0.159 176.390 176.600 -0.085 0.000 1.011 2127 E CA 0.094 56.395 56.400 -0.165 0.000 0.912 2127 E CB 0.396 30.002 29.700 -0.156 0.000 0.953 2127 E HN 0.202 nan 8.360 nan 0.000 0.494 2128 D N 1.894 122.241 120.400 -0.089 0.000 2.697 2128 D HA -0.169 4.471 4.640 -0.001 0.000 0.238 2128 D C -1.065 175.308 176.300 0.121 0.000 1.152 2128 D CA 0.871 54.909 54.000 0.063 0.000 0.666 2128 D CB -0.830 40.019 40.800 0.081 0.000 1.037 2128 D HN 0.035 nan 8.370 nan 0.000 0.423 2129 K N 0.769 121.225 120.400 0.092 0.000 2.394 2129 K HA 0.407 4.726 4.320 -0.001 0.000 0.260 2129 K C -0.159 176.534 176.600 0.156 0.000 0.967 2129 K CA -1.060 55.240 56.287 0.021 0.000 0.855 2129 K CB 1.368 33.807 32.500 -0.102 0.000 1.101 2129 K HN 0.127 nan 8.250 nan 0.000 0.433 2130 M N 4.309 123.967 119.600 0.097 0.000 2.069 2130 M HA 0.257 4.736 4.480 -0.001 0.000 0.349 2130 M C -1.628 174.696 176.300 0.040 0.000 1.194 2130 M CA -0.310 55.087 55.300 0.161 0.000 1.081 2130 M CB 0.143 32.758 32.600 0.026 0.000 1.500 2130 M HN 0.373 nan 8.290 nan 0.000 0.438 2131 Y N 3.056 123.463 120.300 0.179 0.000 2.313 2131 Y HA 0.629 5.178 4.550 -0.001 0.000 0.332 2131 Y C 0.763 176.758 175.900 0.159 0.000 1.071 2131 Y CA -0.288 57.904 58.100 0.154 0.000 1.169 2131 Y CB 1.145 39.683 38.460 0.130 0.000 1.192 2131 Y HN 0.712 nan 8.280 nan 0.000 0.487 2132 T N -0.212 114.531 114.554 0.315 0.000 2.896 2132 T HA 0.928 5.277 4.350 -0.001 0.000 0.297 2132 T C -0.335 174.533 174.700 0.279 0.000 1.108 2132 T CA -0.927 61.335 62.100 0.271 0.000 1.004 2132 T CB 2.038 71.029 68.868 0.206 0.000 1.159 2132 T HN 0.909 nan 8.240 nan 0.000 0.499 2133 G N 0.270 109.221 108.800 0.252 0.000 2.742 2133 G HA2 0.666 4.625 3.960 -0.001 0.000 0.296 2133 G HA3 0.666 4.625 3.960 -0.001 0.000 0.296 2133 G C -1.812 173.234 174.900 0.243 0.000 1.436 2133 G CA -1.069 44.164 45.100 0.222 0.000 0.928 2133 G HN 0.848 nan 8.290 nan 0.000 0.520 2134 R N 0.662 121.295 120.500 0.222 0.000 2.584 2134 R HA 0.517 4.856 4.340 -0.001 0.000 0.276 2134 R C -0.714 175.693 176.300 0.179 0.000 1.046 2134 R CA -0.953 55.290 56.100 0.238 0.000 0.906 2134 R CB 1.670 32.113 30.300 0.238 0.000 1.215 2134 R HN 0.458 nan 8.270 nan 0.000 0.449 2135 K N 2.283 122.783 120.400 0.166 0.000 2.504 2135 K HA 0.066 4.385 4.320 -0.001 0.000 0.278 2135 K C 0.720 177.394 176.600 0.123 0.000 1.025 2135 K CA 1.997 58.357 56.287 0.123 0.000 1.093 2135 K CB 0.042 32.609 32.500 0.112 0.000 0.873 2135 K HN 0.795 nan 8.250 nan 0.000 0.483 2136 G N 3.849 112.706 108.800 0.094 0.000 2.148 2136 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.254 2136 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.254 2136 G C 0.467 175.427 174.900 0.101 0.000 0.981 2136 G CA 0.559 45.712 45.100 0.087 0.000 0.670 2136 G HN 0.598 nan 8.290 nan 0.000 0.528 2137 K N -0.481 119.995 120.400 0.127 0.000 2.529 2137 K HA 0.451 4.770 4.320 -0.001 0.000 0.215 2137 K C 1.102 177.846 176.600 0.239 0.000 1.286 2137 K CA 0.805 57.195 56.287 0.172 0.000 0.997 2137 K CB 1.232 33.841 32.500 0.182 0.000 1.063 2137 K HN 1.726 nan 8.250 nan 0.000 0.590 2138 G N 1.353 110.233 108.800 0.133 0.000 2.707 2138 G HA2 0.065 4.025 3.960 -0.001 0.000 0.686 2138 G HA3 0.065 4.025 3.960 -0.001 0.000 0.686 2138 G C -1.135 173.709 174.900 -0.093 0.000 1.315 2138 G CA -0.521 44.558 45.100 -0.035 0.000 0.832 2138 G HN 0.319 nan 8.290 nan 0.000 0.573 2139 A N -0.141 122.419 122.820 -0.434 0.000 2.355 2139 A HA 0.974 5.293 4.320 -0.001 0.000 0.317 2139 A C -0.802 176.394 177.584 -0.646 0.000 1.094 2139 A CA -0.468 51.399 52.037 -0.284 0.000 0.764 2139 A CB 0.998 19.934 19.000 -0.106 0.000 1.230 2139 A HN 1.456 nan 8.150 nan 0.000 0.448 2140 F N 0.175 120.180 119.950 0.093 0.000 2.599 2140 F HA 0.599 5.126 4.527 -0.001 0.000 0.311 2140 F C -0.083 175.743 175.800 0.043 0.000 1.076 2140 F CA -0.686 57.349 58.000 0.059 0.000 0.937 2140 F CB 2.179 41.197 39.000 0.029 0.000 1.282 2140 F HN 0.627 nan 8.300 nan 0.000 0.460 2141 C N 3.453 122.832 119.300 0.133 0.000 2.344 2141 C HA 0.500 4.959 4.460 -0.001 0.000 0.326 2141 C C -0.233 174.724 174.990 -0.056 0.000 1.201 2141 C CA -0.826 58.115 59.018 -0.130 0.000 1.410 2141 C CB -1.167 26.364 27.740 -0.349 0.000 2.070 2141 C HN 0.860 nan 8.230 nan 0.000 0.445 2142 N N 3.742 122.407 118.700 -0.058 0.000 2.721 2142 N HA -0.186 4.553 4.740 -0.001 0.000 0.249 2142 N C 0.993 176.505 175.510 0.003 0.000 1.072 2142 N CA 2.183 55.215 53.050 -0.031 0.000 0.710 2142 N CB -1.283 37.178 38.487 -0.043 0.000 0.993 2142 N HN 1.745 nan 8.380 nan 0.000 0.547 2143 G N -1.603 107.221 108.800 0.040 0.000 2.241 2143 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.244 2143 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.244 2143 G C -0.153 174.856 174.900 0.182 0.000 0.998 2143 G CA 0.325 45.439 45.100 0.023 0.000 0.621 2143 G HN 0.490 nan 8.290 nan 0.000 0.519 2144 Q N 0.871 120.790 119.800 0.198 0.000 2.294 2144 Q HA 0.400 4.739 4.340 -0.001 0.000 0.257 2144 Q C 0.259 176.400 176.000 0.235 0.000 0.955 2144 Q CA -0.306 55.610 55.803 0.188 0.000 0.936 2144 Q CB 1.443 30.233 28.738 0.086 0.000 1.188 2144 Q HN 0.396 nan 8.270 nan 0.000 0.420 2145 K N 3.094 123.607 120.400 0.188 0.000 2.401 2145 K HA 0.145 4.464 4.320 -0.001 0.000 0.278 2145 K C -0.732 175.788 176.600 -0.132 0.000 1.018 2145 K CA -0.022 56.168 56.287 -0.162 0.000 0.981 2145 K CB 0.441 32.864 32.500 -0.127 0.000 0.933 2145 K HN 0.489 nan 8.250 nan 0.000 0.477 2146 L N 4.032 125.128 121.223 -0.212 0.000 2.325 2146 L HA 0.338 4.678 4.340 -0.001 0.000 0.279 2146 L C -0.141 176.679 176.870 -0.084 0.000 1.054 2146 L CA -0.799 53.992 54.840 -0.082 0.000 0.804 2146 L CB 1.572 43.616 42.059 -0.025 0.000 1.200 2146 L HN 0.603 nan 8.230 nan 0.000 0.436 2147 Q N 2.186 121.967 119.800 -0.031 0.000 2.289 2147 Q HA 0.336 4.676 4.340 -0.001 0.000 0.270 2147 Q C -0.688 175.314 176.000 0.003 0.000 1.038 2147 Q CA -0.579 55.210 55.803 -0.023 0.000 0.812 2147 Q CB 2.858 31.585 28.738 -0.019 0.000 1.300 2147 Q HN 0.522 nan 8.270 nan 0.000 0.427 2148 V N 0.358 120.276 119.914 0.006 0.000 3.287 2148 V HA 0.417 4.536 4.120 -0.001 0.000 0.306 2148 V C 0.727 176.847 176.094 0.043 0.000 1.103 2148 V CA -0.338 61.977 62.300 0.024 0.000 1.159 2148 V CB 0.451 32.290 31.823 0.027 0.000 1.036 2148 V HN 0.857 nan 8.190 nan 0.000 0.487 2149 S N 0.923 116.654 115.700 0.053 0.000 2.641 2149 S HA 0.381 4.850 4.470 -0.001 0.000 0.261 2149 S C -0.154 174.522 174.600 0.128 0.000 1.257 2149 S CA -0.007 58.235 58.200 0.071 0.000 0.983 2149 S CB 0.446 63.674 63.200 0.048 0.000 0.990 2149 S HN 1.250 nan 8.310 nan 0.000 0.572 2150 H N 0.143 119.213 119.070 0.000 0.000 2.607 2150 H HA 0.467 5.022 4.556 -0.001 0.000 0.248 2150 H C -1.139 174.185 175.328 -0.007 0.000 1.355 2150 H CA -0.247 55.798 56.048 -0.004 0.000 1.524 2150 H CB 0.415 30.175 29.762 -0.004 0.000 1.563 2150 H HN 0.554 nan 8.280 nan 0.000 0.509 2151 Q N 2.333 121.976 119.800 -0.262 0.000 2.357 2151 Q HA 0.265 4.604 4.340 -0.001 0.000 0.266 2151 Q C -0.074 175.752 176.000 -0.290 0.000 1.021 2151 Q CA -0.202 55.453 55.803 -0.247 0.000 0.784 2151 Q CB 1.050 29.709 28.738 -0.131 0.000 1.243 2151 Q HN 0.732 nan 8.270 nan 0.000 0.465 2152 E N 2.102 122.108 120.200 -0.323 0.000 2.474 2152 E HA 0.035 4.384 4.350 -0.001 0.000 0.195 2152 E C -0.559 175.956 176.600 -0.142 0.000 1.039 2152 E CA 0.057 56.320 56.400 -0.228 0.000 0.881 2152 E CB 0.645 30.221 29.700 -0.206 0.000 0.970 2152 E HN 0.477 nan 8.360 nan 0.000 0.486 2153 D N 1.126 121.443 120.400 -0.138 0.000 2.396 2153 D HA 0.081 4.720 4.640 -0.001 0.000 0.225 2153 D C 0.675 176.899 176.300 -0.126 0.000 1.121 2153 D CA -0.229 53.703 54.000 -0.112 0.000 0.853 2153 D CB 0.864 41.604 40.800 -0.101 0.000 1.043 2153 D HN 0.026 nan 8.370 nan 0.000 0.500 2154 I N 3.035 123.542 120.570 -0.107 0.000 2.423 2154 I HA -0.257 3.912 4.170 -0.001 0.000 0.254 2154 I C 1.885 177.925 176.117 -0.127 0.000 1.151 2154 I CA 1.477 62.713 61.300 -0.107 0.000 1.421 2154 I CB 0.185 38.134 38.000 -0.086 0.000 1.079 2154 I HN 0.507 nan 8.210 nan 0.000 0.431 2155 T N -2.720 111.762 114.554 -0.120 0.000 3.113 2155 T HA -0.059 4.290 4.350 -0.001 0.000 0.263 2155 T C 1.253 175.810 174.700 -0.239 0.000 1.143 2155 T CA 0.589 62.617 62.100 -0.121 0.000 1.090 2155 T CB -0.272 68.555 68.868 -0.068 0.000 0.922 2155 T HN 0.372 nan 8.240 nan 0.000 0.521 2156 K N 1.713 121.905 120.400 -0.348 0.000 2.537 2156 K HA 0.244 4.563 4.320 -0.001 0.000 0.206 2156 K C 0.220 176.418 176.600 -0.670 0.000 1.041 2156 K CA -0.270 55.580 56.287 -0.729 0.000 1.090 2156 K CB 0.886 33.166 32.500 -0.368 0.000 0.833 2156 K HN 0.449 nan 8.250 nan 0.000 0.493 2157 S N 0.368 115.840 115.700 -0.380 0.000 2.617 2157 S HA 0.494 4.963 4.470 -0.001 0.000 0.283 2157 S C -0.510 174.051 174.600 -0.064 0.000 1.189 2157 S CA -0.935 57.160 58.200 -0.174 0.000 1.036 2157 S CB 1.405 64.542 63.200 -0.105 0.000 1.014 2157 S HN 0.129 nan 8.310 nan 0.000 0.522 2158 L N 2.803 124.032 121.223 0.011 0.000 2.294 2158 L HA 0.566 4.905 4.340 -0.001 0.000 0.283 2158 L C -1.070 175.830 176.870 0.051 0.000 1.015 2158 L CA -0.570 54.308 54.840 0.062 0.000 0.831 2158 L CB 0.552 42.660 42.059 0.081 0.000 1.217 2158 L HN 0.789 nan 8.230 nan 0.000 0.420 2159 L N 4.959 126.221 121.223 0.064 0.000 2.352 2159 L HA 0.738 5.078 4.340 -0.001 0.000 0.269 2159 L C -0.696 176.234 176.870 0.100 0.000 1.034 2159 L CA -1.135 53.761 54.840 0.094 0.000 0.806 2159 L CB 1.945 44.077 42.059 0.122 0.000 1.244 2159 L HN 0.232 nan 8.230 nan 0.000 0.447 2160 V N 0.226 120.218 119.914 0.130 0.000 2.656 2160 V HA 0.734 4.853 4.120 -0.001 0.000 0.307 2160 V C -0.182 175.967 176.094 0.091 0.000 1.051 2160 V CA -0.330 62.041 62.300 0.118 0.000 0.893 2160 V CB 1.820 33.726 31.823 0.137 0.000 0.999 2160 V HN 0.909 nan 8.190 nan 0.000 0.426 2161 T N 2.516 117.060 114.554 -0.018 0.000 2.661 2161 T HA 0.542 4.891 4.350 -0.001 0.000 0.305 2161 T C -2.033 172.602 174.700 -0.108 0.000 1.441 2161 T CA -0.432 61.525 62.100 -0.237 0.000 0.999 2161 T CB 2.181 70.588 68.868 -0.767 0.000 1.650 2161 T HN 0.680 nan 8.240 nan 0.000 0.489 2162 E N 0.825 120.935 120.200 -0.151 0.000 2.393 2162 E HA 0.432 4.781 4.350 -0.001 0.000 0.273 2162 E C 0.486 177.031 176.600 -0.093 0.000 0.918 2162 E CA -0.612 55.740 56.400 -0.079 0.000 0.773 2162 E CB 1.936 31.623 29.700 -0.022 0.000 1.275 2162 E HN 0.557 nan 8.360 nan 0.000 0.451 2163 L N 0.564 121.750 121.223 -0.062 0.000 2.341 2163 L HA 0.163 4.502 4.340 -0.001 0.000 0.214 2163 L C 1.097 177.945 176.870 -0.035 0.000 1.115 2163 L CA 0.886 55.697 54.840 -0.048 0.000 0.820 2163 L CB -0.320 41.715 42.059 -0.040 0.000 0.944 2163 L HN 0.806 nan 8.230 nan 0.000 0.452 2164 G N -0.066 108.717 108.800 -0.027 0.000 2.730 2164 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.686 2164 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.686 2164 G C 0.546 175.450 174.900 0.006 0.000 1.343 2164 G CA -0.121 44.974 45.100 -0.008 0.000 0.826 2164 G HN 0.223 nan 8.290 nan 0.000 0.582 2165 S N -0.952 114.764 115.700 0.026 0.000 2.470 2165 S HA 0.332 4.802 4.470 -0.001 0.000 0.225 2165 S C 1.529 176.148 174.600 0.031 0.000 1.006 2165 S CA 1.391 59.614 58.200 0.038 0.000 0.934 2165 S CB 0.089 63.329 63.200 0.066 0.000 0.778 2165 S HN 1.985 nan 8.310 nan 0.000 0.517 2166 S N 1.515 117.229 115.700 0.023 0.000 2.558 2166 S HA 0.187 4.656 4.470 -0.001 0.000 0.293 2166 S C 0.728 175.335 174.600 0.013 0.000 1.292 2166 S CA -0.306 57.905 58.200 0.019 0.000 1.063 2166 S CB 0.140 63.346 63.200 0.010 0.000 0.831 2166 S HN 0.414 nan 8.310 nan 0.000 0.499 2167 R N 2.692 123.201 120.500 0.014 0.000 2.600 2167 R HA 0.130 4.469 4.340 -0.001 0.000 0.392 2167 R C -0.242 176.064 176.300 0.009 0.000 1.032 2167 R CA -0.121 55.985 56.100 0.010 0.000 1.139 2167 R CB -0.031 30.277 30.300 0.012 0.000 1.400 2167 R HN 0.514 nan 8.270 nan 0.000 0.566 2168 T N 3.817 118.377 114.554 0.009 0.000 2.799 2168 T HA 0.080 4.429 4.350 -0.001 0.000 0.296 2168 T C -1.438 173.265 174.700 0.005 0.000 0.947 2168 T CA -1.014 61.091 62.100 0.008 0.000 1.141 2168 T CB 1.385 70.258 68.868 0.008 0.000 0.891 2168 T HN 0.026 nan 8.240 nan 0.000 0.533 2169 P HA -0.202 nan 4.420 nan 0.000 0.215 2169 P C 1.497 178.798 177.300 0.001 0.000 1.157 2169 P CA 1.133 64.235 63.100 0.002 0.000 0.868 2169 P CB 0.229 31.930 31.700 0.002 0.000 0.788 2170 E N -0.305 119.896 120.200 0.001 0.000 2.118 2170 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 2170 E C 1.547 178.147 176.600 -0.000 0.000 0.992 2170 E CA 1.850 58.250 56.400 0.000 0.000 0.804 2170 E CB -0.801 28.899 29.700 -0.000 0.000 0.741 2170 E HN 0.121 nan 8.360 nan 0.000 0.458 2171 T N 0.832 115.386 114.554 0.000 0.000 2.770 2171 T HA -0.065 4.284 4.350 -0.001 0.000 0.263 2171 T C 2.041 176.741 174.700 -0.000 0.000 1.039 2171 T CA 1.307 63.407 62.100 -0.001 0.000 1.142 2171 T CB -0.200 68.668 68.868 -0.000 0.000 0.868 2171 T HN 0.052 nan 8.240 nan 0.000 0.435 2172 V N 1.854 121.768 119.914 0.000 0.000 2.392 2172 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 2172 V C 2.569 178.663 176.094 0.001 0.000 1.059 2172 V CA 1.712 64.012 62.300 -0.001 0.000 1.051 2172 V CB -0.654 31.168 31.823 -0.001 0.000 0.658 2172 V HN 0.406 nan 8.190 nan 0.000 0.455 2173 R N -0.272 120.229 120.500 0.001 0.000 2.081 2173 R HA -0.063 4.276 4.340 -0.001 0.000 0.235 2173 R C 2.232 178.533 176.300 0.003 0.000 1.131 2173 R CA 1.605 57.706 56.100 0.001 0.000 0.960 2173 R CB -0.410 29.890 30.300 0.000 0.000 0.856 2173 R HN 0.441 nan 8.270 nan 0.000 0.436 2174 I N 0.538 121.110 120.570 0.003 0.000 2.252 2174 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 2174 I C 2.213 178.339 176.117 0.015 0.000 1.102 2174 I CA 1.242 62.545 61.300 0.005 0.000 1.385 2174 I CB -0.222 37.779 38.000 0.002 0.000 1.064 2174 I HN 0.102 nan 8.210 nan 0.000 0.414 2175 I N 0.555 121.134 120.570 0.015 0.000 2.163 2175 I HA -0.307 3.863 4.170 -0.001 0.000 0.243 2175 I C 2.404 178.541 176.117 0.033 0.000 1.085 2175 I CA 1.590 62.907 61.300 0.028 0.000 1.347 2175 I CB -0.258 37.747 38.000 0.007 0.000 1.044 2175 I HN 0.199 nan 8.210 nan 0.000 0.408 2176 L N -0.426 120.807 121.223 0.017 0.000 2.141 2176 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 2176 L C 2.680 179.562 176.870 0.019 0.000 1.094 2176 L CA 1.133 55.983 54.840 0.017 0.000 0.763 2176 L CB -0.515 41.548 42.059 0.007 0.000 0.908 2176 L HN 0.249 nan 8.230 nan 0.000 0.437 2177 S N 0.112 115.820 115.700 0.014 0.000 2.383 2177 S HA -0.140 4.329 4.470 -0.001 0.000 0.227 2177 S C 1.834 176.438 174.600 0.006 0.000 1.026 2177 S CA 1.221 59.425 58.200 0.006 0.000 0.981 2177 S CB -0.156 63.045 63.200 0.000 0.000 0.818 2177 S HN 0.422 nan 8.310 nan 0.000 0.472 2178 N N 1.630 120.341 118.700 0.018 0.000 2.084 2178 N HA 0.010 4.750 4.740 -0.001 0.000 0.190 2178 N C 1.728 177.259 175.510 0.034 0.000 1.030 2178 N CA 1.529 54.587 53.050 0.015 0.000 0.849 2178 N CB -0.569 37.951 38.487 0.055 0.000 1.012 2178 N HN 0.472 nan 8.380 nan 0.000 0.423 2179 I N 1.230 121.844 120.570 0.074 0.000 2.226 2179 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 2179 I C 2.429 178.567 176.117 0.035 0.000 1.100 2179 I CA 1.078 62.424 61.300 0.076 0.000 1.374 2179 I CB -0.215 37.825 38.000 0.067 0.000 1.057 2179 I HN 0.235 nan 8.210 nan 0.000 0.413 2180 E N 1.120 121.332 120.200 0.020 0.000 2.058 2180 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 2180 E C 2.400 178.999 176.600 -0.001 0.000 0.997 2180 E CA 1.373 57.778 56.400 0.008 0.000 0.801 2180 E CB 0.036 29.739 29.700 0.004 0.000 0.746 2180 E HN 0.337 nan 8.360 nan 0.000 0.450 2181 R N -0.084 120.409 120.500 -0.011 0.000 2.073 2181 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 2181 R C 2.611 178.893 176.300 -0.031 0.000 1.134 2181 R CA 1.444 57.529 56.100 -0.025 0.000 0.952 2181 R CB -0.272 30.004 30.300 -0.040 0.000 0.850 2181 R HN 0.266 nan 8.270 nan 0.000 0.433 2182 L N 0.166 121.368 121.223 -0.035 0.000 2.027 2182 L HA -0.182 4.157 4.340 -0.001 0.000 0.206 2182 L C 2.384 179.247 176.870 -0.013 0.000 1.074 2182 L CA 0.643 55.460 54.840 -0.040 0.000 0.745 2182 L CB -0.386 41.645 42.059 -0.046 0.000 0.898 2182 L HN 0.181 nan 8.230 nan 0.000 0.433 2183 L N -0.490 120.736 121.223 0.006 0.000 2.079 2183 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 2183 L C 2.055 178.930 176.870 0.009 0.000 1.081 2183 L CA 1.669 56.519 54.840 0.016 0.000 0.752 2183 L CB -0.403 41.669 42.059 0.022 0.000 0.896 2183 L HN 0.313 nan 8.230 nan 0.000 0.433 2184 C N -0.875 118.425 119.300 0.000 0.000 2.625 2184 C HA 0.184 4.643 4.460 -0.001 0.000 0.285 2184 C C 2.373 177.358 174.990 -0.008 0.000 1.279 2184 C CA -0.498 58.520 59.018 -0.001 0.000 1.698 2184 C CB -1.394 26.344 27.740 -0.003 0.000 1.821 2184 C HN 0.493 nan 8.230 nan 0.000 0.600 2185 L N 1.683 122.897 121.223 -0.015 0.000 2.131 2185 L HA -0.005 4.334 4.340 -0.001 0.000 0.210 2185 L C -0.717 176.144 176.870 -0.016 0.000 1.092 2185 L CA 1.171 55.998 54.840 -0.022 0.000 0.759 2185 L CB -1.500 40.538 42.059 -0.035 0.000 0.903 2185 L HN 0.386 nan 8.230 nan 0.000 0.435 2186 P HA 0.359 nan 4.420 nan 0.000 0.283 2186 P C -0.620 176.679 177.300 -0.001 0.000 1.278 2186 P CA -0.404 62.699 63.100 0.005 0.000 0.834 2186 P CB 1.738 33.451 31.700 0.022 0.000 1.150 2187 I N -3.373 117.205 120.570 0.014 0.000 3.067 2187 I HA 0.389 4.558 4.170 -0.001 0.000 0.312 2187 I C 1.108 177.287 176.117 0.104 0.000 1.073 2187 I CA -0.990 60.315 61.300 0.008 0.000 1.016 2187 I CB 1.767 39.765 38.000 -0.004 0.000 1.227 2187 I HN 0.330 nan 8.210 nan 0.000 0.456 2188 H N 1.660 120.730 119.070 0.000 0.000 2.389 2188 H HA 0.227 4.782 4.556 -0.001 0.000 0.299 2188 H C 0.843 176.176 175.328 0.007 0.000 1.081 2188 H CA 0.637 56.686 56.048 0.003 0.000 1.345 2188 H CB 0.321 30.085 29.762 0.003 0.000 1.393 2188 H HN 0.858 nan 8.280 nan 0.000 0.520 2189 G N -0.483 108.399 108.800 0.137 0.000 2.313 2189 G HA2 0.330 4.290 3.960 -0.001 0.000 0.296 2189 G HA3 0.330 4.290 3.960 -0.001 0.000 0.296 2189 G C -1.839 173.102 174.900 0.069 0.000 1.356 2189 G CA -0.810 44.339 45.100 0.081 0.000 0.833 2189 G HN 0.019 nan 8.290 nan 0.000 0.552 2190 I N 0.590 121.192 120.570 0.054 0.000 2.509 2190 I HA 0.603 4.772 4.170 -0.001 0.000 0.293 2190 I C -0.273 175.863 176.117 0.032 0.000 1.020 2190 I CA -0.988 60.342 61.300 0.051 0.000 1.088 2190 I CB 2.169 40.201 38.000 0.054 0.000 1.267 2190 I HN 0.333 nan 8.210 nan 0.000 0.430 2191 R N 2.999 123.514 120.500 0.026 0.000 2.930 2191 R HA 0.891 5.230 4.340 -0.001 0.000 0.257 2191 R C -0.490 175.801 176.300 -0.014 0.000 1.107 2191 R CA -1.067 55.035 56.100 0.003 0.000 0.999 2191 R CB 2.121 32.420 30.300 -0.002 0.000 1.209 2191 R HN 0.884 nan 8.270 nan 0.000 0.486 2192 G N -0.907 107.867 108.800 -0.043 0.000 2.473 2192 G HA2 0.309 4.268 3.960 -0.001 0.000 0.298 2192 G HA3 0.309 4.268 3.960 -0.001 0.000 0.298 2192 G C -0.402 174.435 174.900 -0.106 0.000 1.575 2192 G CA -0.240 44.818 45.100 -0.069 0.000 0.846 2192 G HN 0.365 nan 8.290 nan 0.000 0.585 2193 V N -0.959 118.857 119.914 -0.163 0.000 3.380 2193 V HA 0.631 4.750 4.120 -0.001 0.000 0.307 2193 V C 1.473 177.563 176.094 -0.005 0.000 1.434 2193 V CA 0.669 62.864 62.300 -0.174 0.000 1.075 2193 V CB 0.156 31.544 31.823 -0.724 0.000 0.954 2193 V HN 2.707 nan 8.190 nan 0.000 0.444 2194 G N 0.505 109.275 108.800 -0.050 0.000 2.132 2194 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.234 2194 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.234 2194 G C 0.260 175.180 174.900 0.034 0.000 0.989 2194 G CA 0.699 45.785 45.100 -0.025 0.000 0.676 2194 G HN 1.595 nan 8.290 nan 0.000 0.522 2195 T N -2.803 111.757 114.554 0.011 0.000 3.032 2195 T HA 0.792 5.141 4.350 -0.001 0.000 0.312 2195 T C 1.268 175.922 174.700 -0.077 0.000 1.078 2195 T CA 0.723 62.835 62.100 0.021 0.000 1.028 2195 T CB 1.454 70.368 68.868 0.078 0.000 1.091 2195 T HN 1.510 nan 8.240 nan 0.000 0.457 2196 A N 3.743 126.528 122.820 -0.059 0.000 1.883 2196 A HA 0.243 4.562 4.320 -0.001 0.000 0.217 2196 A C 2.586 179.994 177.584 -0.292 0.000 1.186 2196 A CA 2.224 54.149 52.037 -0.187 0.000 0.624 2196 A CB -1.354 17.658 19.000 0.020 0.000 0.822 2196 A HN 1.447 nan 8.150 nan 0.000 0.444 2197 A N -0.335 122.412 122.820 -0.121 0.000 1.883 2197 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 2197 A C 2.170 179.637 177.584 -0.195 0.000 1.186 2197 A CA 1.647 53.617 52.037 -0.112 0.000 0.624 2197 A CB -0.614 18.386 19.000 -0.000 0.000 0.822 2197 A HN 0.485 nan 8.150 nan 0.000 0.444 2198 L N -0.604 120.522 121.223 -0.161 0.000 2.179 2198 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 2198 L C 2.166 178.872 176.870 -0.273 0.000 1.096 2198 L CA 0.656 55.388 54.840 -0.180 0.000 0.779 2198 L CB -0.601 41.467 42.059 0.015 0.000 0.922 2198 L HN 0.332 nan 8.230 nan 0.000 0.443 2199 N N 0.334 118.826 118.700 -0.347 0.000 2.120 2199 N HA -0.155 4.584 4.740 -0.001 0.000 0.188 2199 N C 1.888 177.125 175.510 -0.456 0.000 1.024 2199 N CA 1.471 54.263 53.050 -0.430 0.000 0.852 2199 N CB -0.175 37.940 38.487 -0.621 0.000 1.003 2199 N HN 0.313 nan 8.380 nan 0.000 0.424 2200 M N -0.287 118.985 119.600 -0.547 0.000 2.175 2200 M HA -0.104 4.375 4.480 -0.001 0.000 0.264 2200 M C 2.151 178.297 176.300 -0.256 0.000 1.063 2200 M CA 0.940 56.025 55.300 -0.358 0.000 1.119 2200 M CB -0.172 32.243 32.600 -0.307 0.000 1.377 2200 M HN 0.153 nan 8.290 nan 0.000 0.415 2201 C N 0.279 119.377 119.300 -0.337 0.000 2.422 2201 C HA -0.096 4.363 4.460 -0.001 0.000 0.279 2201 C C 2.607 177.431 174.990 -0.276 0.000 1.305 2201 C CA 0.595 59.343 59.018 -0.450 0.000 1.757 2201 C CB -1.086 26.024 27.740 -1.050 0.000 1.962 2201 C HN 0.520 nan 8.230 nan 0.000 0.499 2202 L N 0.112 121.211 121.223 -0.206 0.000 2.083 2202 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 2202 L C 2.569 179.412 176.870 -0.046 0.000 1.083 2202 L CA 1.177 55.966 54.840 -0.084 0.000 0.752 2202 L CB -0.558 41.443 42.059 -0.097 0.000 0.899 2202 L HN 0.197 nan 8.230 nan 0.000 0.433 2203 V N -0.043 119.832 119.914 -0.065 0.000 2.295 2203 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 2203 V C 2.754 178.839 176.094 -0.016 0.000 1.049 2203 V CA 1.751 64.037 62.300 -0.023 0.000 1.024 2203 V CB -0.929 30.889 31.823 -0.008 0.000 0.648 2203 V HN 0.485 nan 8.190 nan 0.000 0.447 2204 A N 0.053 122.850 122.820 -0.038 0.000 1.940 2204 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 2204 A C 2.261 179.858 177.584 0.022 0.000 1.176 2204 A CA 2.158 54.187 52.037 -0.014 0.000 0.631 2204 A CB -0.632 18.355 19.000 -0.022 0.000 0.814 2204 A HN 0.619 nan 8.150 nan 0.000 0.446 2205 A N -2.274 120.575 122.820 0.048 0.000 2.208 2205 A HA 0.413 4.732 4.320 -0.001 0.000 0.209 2205 A C 1.819 179.436 177.584 0.055 0.000 1.161 2205 A CA 1.218 53.305 52.037 0.084 0.000 0.782 2205 A CB -0.761 18.330 19.000 0.153 0.000 0.816 2205 A HN 1.924 nan 8.150 nan 0.000 0.477 2206 G N -2.147 106.676 108.800 0.038 0.000 2.141 2206 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.242 2206 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.242 2206 G C 0.995 175.919 174.900 0.039 0.000 0.982 2206 G CA 0.718 45.840 45.100 0.037 0.000 0.662 2206 G HN 1.370 nan 8.290 nan 0.000 0.527 2207 A N -0.951 121.892 122.820 0.038 0.000 2.123 2207 A HA 0.793 5.112 4.320 -0.001 0.000 0.214 2207 A C 1.399 179.000 177.584 0.029 0.000 1.152 2207 A CA 1.923 53.982 52.037 0.037 0.000 0.728 2207 A CB 0.001 19.025 19.000 0.041 0.000 0.814 2207 A HN 2.228 nan 8.150 nan 0.000 0.464 2208 A N -1.383 121.452 122.820 0.024 0.000 2.593 2208 A HA 0.563 4.882 4.320 -0.001 0.000 0.290 2208 A C -0.401 177.200 177.584 0.028 0.000 1.126 2208 A CA -0.154 51.900 52.037 0.028 0.000 0.695 2208 A CB 0.426 19.441 19.000 0.025 0.000 1.290 2208 A HN -0.004 nan 8.150 nan 0.000 0.414 2209 D N -0.069 120.348 120.400 0.029 0.000 2.240 2209 D HA 0.383 5.022 4.640 -0.001 0.000 0.206 2209 D C 0.649 176.965 176.300 0.027 0.000 0.963 2209 D CA 1.790 55.800 54.000 0.017 0.000 0.863 2209 D CB 0.631 41.425 40.800 -0.008 0.000 0.973 2209 D HN 0.884 nan 8.370 nan 0.000 0.501 2210 A N -0.212 122.640 122.820 0.054 0.000 2.605 2210 A HA 0.483 4.802 4.320 -0.001 0.000 0.294 2210 A C -2.081 175.599 177.584 0.159 0.000 1.062 2210 A CA -0.754 51.331 52.037 0.082 0.000 0.682 2210 A CB 1.081 20.111 19.000 0.049 0.000 1.278 2210 A HN 0.102 nan 8.150 nan 0.000 0.410 2211 Y N 1.219 121.535 120.300 0.027 0.000 2.446 2211 Y HA 0.743 5.292 4.550 -0.001 0.000 0.345 2211 Y C -1.080 174.881 175.900 0.102 0.000 0.984 2211 Y CA -0.865 57.248 58.100 0.021 0.000 1.058 2211 Y CB 1.743 40.175 38.460 -0.047 0.000 1.220 2211 Y HN 1.114 nan 8.280 nan 0.000 0.455 2212 Y N 2.163 122.031 120.300 -0.720 0.000 2.562 2212 Y HA 0.806 5.355 4.550 -0.001 0.000 0.345 2212 Y C -1.624 173.764 175.900 -0.852 0.000 1.045 2212 Y CA -1.365 56.314 58.100 -0.702 0.000 1.028 2212 Y CB 1.918 40.192 38.460 -0.309 0.000 1.297 2212 Y HN 0.769 nan 8.280 nan 0.000 0.463 2213 E N 2.923 122.746 120.200 -0.628 0.000 2.388 2213 E HA 0.515 4.865 4.350 -0.001 0.000 0.282 2213 E C -2.003 174.505 176.600 -0.154 0.000 1.026 2213 E CA -0.890 55.249 56.400 -0.436 0.000 0.820 2213 E CB 1.942 31.411 29.700 -0.386 0.000 1.226 2213 E HN 0.862 nan 8.360 nan 0.000 0.432 2214 M N 2.239 121.781 119.600 -0.097 0.000 2.253 2214 M HA 0.536 5.015 4.480 -0.001 0.000 0.314 2214 M C 0.496 176.745 176.300 -0.085 0.000 1.019 2214 M CA -0.007 55.253 55.300 -0.066 0.000 0.932 2214 M CB 1.969 34.551 32.600 -0.029 0.000 1.606 2214 M HN 0.850 nan 8.290 nan 0.000 0.430 2215 G N 2.046 110.772 108.800 -0.123 0.000 2.260 2215 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.179 2215 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.179 2215 G C -0.196 174.569 174.900 -0.226 0.000 1.002 2215 G CA -0.165 44.844 45.100 -0.151 0.000 0.677 2215 G HN 0.710 nan 8.290 nan 0.000 0.486 2216 I N -0.301 120.157 120.570 -0.186 0.000 3.269 2216 I HA 0.705 4.874 4.170 -0.001 0.000 0.287 2216 I C 0.534 176.379 176.117 -0.454 0.000 1.152 2216 I CA -1.020 60.171 61.300 -0.181 0.000 1.263 2216 I CB 0.191 38.172 38.000 -0.031 0.000 1.439 2216 I HN 0.132 nan 8.210 nan 0.000 0.637 2217 H N 0.201 119.050 119.070 -0.369 0.000 2.855 2217 H HA 0.265 4.820 4.556 -0.001 0.000 0.363 2217 H C 0.854 175.784 175.328 -0.663 0.000 1.185 2217 H CA -0.216 55.395 56.048 -0.729 0.000 1.174 2217 H CB 1.713 30.540 29.762 -1.558 0.000 1.857 2217 H HN 0.999 nan 8.280 nan 0.000 0.565 2218 C N -0.405 118.603 119.300 -0.487 0.000 2.413 2218 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 2218 C C 2.338 177.287 174.990 -0.069 0.000 1.265 2218 C CA 0.780 59.680 59.018 -0.198 0.000 1.752 2218 C CB -1.883 25.794 27.740 -0.106 0.000 1.998 2218 C HN 0.922 nan 8.230 nan 0.000 0.489 2219 W N 1.824 123.202 121.300 0.130 0.000 2.595 2219 W HA 0.201 4.860 4.660 -0.001 0.000 0.257 2219 W C 1.529 178.114 176.519 0.110 0.000 1.267 2219 W CA 0.779 58.190 57.345 0.109 0.000 1.300 2219 W CB -1.038 28.477 29.460 0.091 0.000 1.120 2219 W HN 0.185 nan 8.180 nan 0.000 0.618 2220 D N 1.195 121.675 120.400 0.133 0.000 2.183 2220 D HA -0.135 4.504 4.640 -0.001 0.000 0.203 2220 D C 2.260 178.629 176.300 0.115 0.000 0.969 2220 D CA 2.373 56.476 54.000 0.171 0.000 0.842 2220 D CB -0.118 40.745 40.800 0.105 0.000 0.957 2220 D HN 0.400 nan 8.370 nan 0.000 0.484 2221 V N -2.764 117.208 119.914 0.097 0.000 3.612 2221 V HA 0.447 4.566 4.120 -0.001 0.000 0.268 2221 V C 2.053 178.205 176.094 0.096 0.000 1.365 2221 V CA 0.509 62.864 62.300 0.092 0.000 1.044 2221 V CB 0.286 32.191 31.823 0.138 0.000 0.820 2221 V HN 0.004 nan 8.190 nan 0.000 0.444 2222 A N 1.883 124.773 122.820 0.117 0.000 1.933 2222 A HA 0.118 4.437 4.320 -0.001 0.000 0.218 2222 A C 2.253 179.883 177.584 0.077 0.000 1.175 2222 A CA 2.044 54.139 52.037 0.097 0.000 0.628 2222 A CB -1.253 17.800 19.000 0.089 0.000 0.814 2222 A HN 0.718 nan 8.150 nan 0.000 0.444 2223 G N -0.751 108.112 108.800 0.105 0.000 2.394 2223 G HA2 0.095 4.054 3.960 -0.001 0.000 0.215 2223 G HA3 0.095 4.054 3.960 -0.001 0.000 0.215 2223 G C 1.633 176.585 174.900 0.086 0.000 1.165 2223 G CA 1.153 46.323 45.100 0.117 0.000 0.784 2223 G HN 0.780 nan 8.290 nan 0.000 0.535 2224 A N 0.616 123.463 122.820 0.045 0.000 2.067 2224 A HA 0.337 4.656 4.320 -0.001 0.000 0.217 2224 A C 2.556 180.124 177.584 -0.027 0.000 1.156 2224 A CA 1.539 53.571 52.037 -0.008 0.000 0.683 2224 A CB -0.599 18.357 19.000 -0.072 0.000 0.808 2224 A HN 0.433 nan 8.150 nan 0.000 0.455 2225 G N 0.367 109.151 108.800 -0.028 0.000 2.421 2225 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.216 2225 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.216 2225 G C 1.422 176.293 174.900 -0.049 0.000 1.171 2225 G CA 1.260 46.309 45.100 -0.084 0.000 0.775 2225 G HN 0.459 nan 8.290 nan 0.000 0.543 2226 I N 1.007 121.579 120.570 0.003 0.000 2.493 2226 I HA 0.011 4.180 4.170 -0.001 0.000 0.254 2226 I C 2.471 178.610 176.117 0.036 0.000 1.160 2226 I CA 0.503 61.819 61.300 0.028 0.000 1.445 2226 I CB -0.116 37.920 38.000 0.061 0.000 1.086 2226 I HN 0.216 nan 8.210 nan 0.000 0.433 2227 I N -1.086 119.509 120.570 0.041 0.000 2.252 2227 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 2227 I C 2.417 178.535 176.117 0.002 0.000 1.102 2227 I CA 1.001 62.328 61.300 0.044 0.000 1.385 2227 I CB -0.563 37.475 38.000 0.064 0.000 1.064 2227 I HN 0.012 nan 8.210 nan 0.000 0.414 2228 V N 1.179 121.077 119.914 -0.027 0.000 2.295 2228 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 2228 V C 2.770 178.845 176.094 -0.032 0.000 1.049 2228 V CA 2.682 64.958 62.300 -0.040 0.000 1.024 2228 V CB -1.229 30.555 31.823 -0.064 0.000 0.648 2228 V HN 0.647 nan 8.190 nan 0.000 0.447 2229 T N -2.446 112.089 114.554 -0.032 0.000 2.904 2229 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 2229 T C 1.667 176.360 174.700 -0.011 0.000 1.059 2229 T CA 1.120 63.207 62.100 -0.022 0.000 1.137 2229 T CB -0.289 68.568 68.868 -0.020 0.000 0.879 2229 T HN 0.397 nan 8.240 nan 0.000 0.467 2230 E N 1.583 121.780 120.200 -0.004 0.000 2.347 2230 E HA 0.157 4.506 4.350 -0.001 0.000 0.196 2230 E C 2.168 178.740 176.600 -0.047 0.000 1.008 2230 E CA 0.851 57.244 56.400 -0.011 0.000 0.852 2230 E CB -0.346 29.361 29.700 0.011 0.000 0.783 2230 E HN 0.742 nan 8.360 nan 0.000 0.505 2231 A N -0.173 122.621 122.820 -0.043 0.000 2.251 2231 A HA 0.309 4.628 4.320 -0.001 0.000 0.209 2231 A C 1.604 179.167 177.584 -0.034 0.000 1.187 2231 A CA 0.968 52.974 52.037 -0.052 0.000 0.823 2231 A CB -0.007 18.973 19.000 -0.033 0.000 0.846 2231 A HN 0.250 nan 8.150 nan 0.000 0.486 2232 G N -2.288 106.497 108.800 -0.026 0.000 2.163 2232 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.213 2232 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.213 2232 G C 0.686 175.582 174.900 -0.005 0.000 0.991 2232 G CA 0.183 45.272 45.100 -0.017 0.000 0.653 2232 G HN 1.268 nan 8.290 nan 0.000 0.518 2233 G N -1.127 107.668 108.800 -0.008 0.000 2.532 2233 G HA2 0.860 4.819 3.960 -0.001 0.000 0.291 2233 G HA3 0.860 4.819 3.960 -0.001 0.000 0.291 2233 G C 0.042 174.932 174.900 -0.016 0.000 1.349 2233 G CA 0.261 45.358 45.100 -0.006 0.000 1.038 2233 G HN 1.626 nan 8.290 nan 0.000 0.518 2234 V N -2.421 117.480 119.914 -0.023 0.000 2.925 2234 V HA 0.774 4.893 4.120 -0.001 0.000 0.311 2234 V C -0.628 175.425 176.094 -0.068 0.000 1.104 2234 V CA -1.115 61.165 62.300 -0.032 0.000 0.954 2234 V CB 1.559 33.376 31.823 -0.010 0.000 1.022 2234 V HN 0.604 nan 8.190 nan 0.000 0.427 2235 L N 3.905 125.068 121.223 -0.100 0.000 2.325 2235 L HA 0.782 5.121 4.340 -0.001 0.000 0.278 2235 L C -0.725 176.125 176.870 -0.034 0.000 1.023 2235 L CA -0.609 54.117 54.840 -0.190 0.000 0.811 2235 L CB 1.729 43.493 42.059 -0.492 0.000 1.249 2235 L HN 0.601 nan 8.230 nan 0.000 0.431 2236 L N 1.288 122.521 121.223 0.015 0.000 2.415 2236 L HA 0.536 4.875 4.340 -0.001 0.000 0.256 2236 L C -0.699 176.278 176.870 0.177 0.000 1.010 2236 L CA -0.292 54.607 54.840 0.097 0.000 0.826 2236 L CB 2.144 44.224 42.059 0.035 0.000 1.405 2236 L HN 0.453 nan 8.230 nan 0.000 0.410 2237 D N 0.167 120.656 120.400 0.149 0.000 2.344 2237 D HA 0.143 4.782 4.640 -0.001 0.000 0.244 2237 D C 1.169 177.495 176.300 0.044 0.000 1.134 2237 D CA 0.216 54.279 54.000 0.106 0.000 0.930 2237 D CB 1.803 42.625 40.800 0.038 0.000 1.175 2237 D HN 0.437 nan 8.370 nan 0.000 0.437 2238 V N 0.792 120.720 119.914 0.024 0.000 3.026 2238 V HA -0.152 3.967 4.120 -0.001 0.000 0.265 2238 V C 1.723 177.802 176.094 -0.026 0.000 1.121 2238 V CA 2.088 64.381 62.300 -0.012 0.000 1.142 2238 V CB -1.510 30.305 31.823 -0.013 0.000 0.730 2238 V HN 0.673 nan 8.190 nan 0.000 0.503 2239 T N -3.220 111.324 114.554 -0.017 0.000 3.085 2239 T HA 0.411 4.760 4.350 -0.001 0.000 0.263 2239 T C 1.761 176.449 174.700 -0.021 0.000 1.127 2239 T CA 1.114 63.200 62.100 -0.023 0.000 1.103 2239 T CB 0.343 69.197 68.868 -0.023 0.000 0.921 2239 T HN 1.392 nan 8.240 nan 0.000 0.510 2240 G N 0.617 109.409 108.800 -0.013 0.000 2.313 2240 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.215 2240 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.215 2240 G C 0.581 175.480 174.900 -0.001 0.000 1.023 2240 G CA -0.104 44.989 45.100 -0.012 0.000 0.626 2240 G HN 0.966 nan 8.290 nan 0.000 0.503 2241 G N 1.023 109.823 108.800 -0.000 0.000 2.683 2241 G HA2 0.514 4.473 3.960 -0.001 0.000 0.260 2241 G HA3 0.514 4.473 3.960 -0.001 0.000 0.260 2241 G C -2.010 172.904 174.900 0.024 0.000 1.238 2241 G CA -0.263 44.839 45.100 0.003 0.000 0.934 2241 G HN 0.319 nan 8.290 nan 0.000 0.534 2242 P HA 0.060 nan 4.420 nan 0.000 0.266 2242 P C -0.263 177.082 177.300 0.075 0.000 1.195 2242 P CA -0.143 62.984 63.100 0.046 0.000 0.768 2242 P CB 0.348 32.056 31.700 0.013 0.000 0.838 2243 F N 3.190 123.125 119.950 -0.025 0.000 2.572 2243 F HA 0.174 4.700 4.527 -0.002 0.000 0.370 2243 F C 0.326 176.105 175.800 -0.035 0.000 1.103 2243 F CA 0.099 58.082 58.000 -0.028 0.000 1.286 2243 F CB 0.186 39.173 39.000 -0.021 0.000 1.105 2243 F HN 0.177 nan 8.300 nan 0.000 0.583 2244 D N 6.255 126.139 120.400 -0.859 0.000 2.469 2244 D HA 0.118 4.757 4.640 -0.001 0.000 0.251 2244 D C 0.521 176.193 176.300 -1.047 0.000 1.173 2244 D CA -0.504 53.057 54.000 -0.731 0.000 0.882 2244 D CB 1.147 41.736 40.800 -0.352 0.000 1.129 2244 D HN 0.587 nan 8.370 nan 0.000 0.549 2245 L N 3.860 124.508 121.223 -0.958 0.000 2.187 2245 L HA -0.034 4.305 4.340 -0.001 0.000 0.213 2245 L C 1.457 178.132 176.870 -0.326 0.000 1.100 2245 L CA 1.603 56.078 54.840 -0.608 0.000 0.765 2245 L CB -0.231 41.680 42.059 -0.247 0.000 0.904 2245 L HN 0.562 nan 8.230 nan 0.000 0.437 2246 M N -1.685 117.743 119.600 -0.286 0.000 2.453 2246 M HA 0.169 4.648 4.480 -0.001 0.000 0.239 2246 M C 1.838 178.027 176.300 -0.185 0.000 1.151 2246 M CA 0.631 55.817 55.300 -0.190 0.000 0.989 2246 M CB -0.998 31.521 32.600 -0.135 0.000 1.548 2246 M HN 0.472 nan 8.290 nan 0.000 0.479 2247 S N -0.337 115.228 115.700 -0.225 0.000 2.548 2247 S HA 0.092 4.561 4.470 -0.001 0.000 0.215 2247 S C 1.065 175.571 174.600 -0.155 0.000 0.976 2247 S CA -0.182 57.912 58.200 -0.176 0.000 0.908 2247 S CB 0.190 63.278 63.200 -0.187 0.000 0.781 2247 S HN 0.476 nan 8.310 nan 0.000 0.519 2248 R N 0.030 120.420 120.500 -0.182 0.000 3.963 2248 R HA -0.101 4.238 4.340 -0.001 0.000 0.394 2248 R C -0.683 175.541 176.300 -0.127 0.000 1.131 2248 R CA 0.948 56.924 56.100 -0.206 0.000 1.059 2248 R CB -2.227 27.937 30.300 -0.226 0.000 1.614 2248 R HN 0.602 nan 8.270 nan 0.000 0.546 2249 R N -0.171 120.290 120.500 -0.066 0.000 2.744 2249 R HA 0.742 5.081 4.340 -0.001 0.000 0.279 2249 R C -0.881 175.490 176.300 0.117 0.000 0.977 2249 R CA -0.757 55.340 56.100 -0.005 0.000 0.906 2249 R CB 3.024 33.314 30.300 -0.016 0.000 1.197 2249 R HN -0.046 nan 8.270 nan 0.000 0.463 2250 V N 4.013 123.986 119.914 0.098 0.000 2.924 2250 V HA 0.510 4.629 4.120 -0.001 0.000 0.300 2250 V C -1.594 174.500 176.094 -0.000 0.000 1.227 2250 V CA -0.615 61.774 62.300 0.149 0.000 0.954 2250 V CB 2.320 34.239 31.823 0.160 0.000 1.055 2250 V HN 0.663 nan 8.190 nan 0.000 0.429 2251 I N 5.766 126.341 120.570 0.009 0.000 2.389 2251 I HA 0.760 4.929 4.170 -0.001 0.000 0.288 2251 I C 0.156 176.245 176.117 -0.047 0.000 0.999 2251 I CA -0.564 60.722 61.300 -0.022 0.000 1.129 2251 I CB 1.923 39.917 38.000 -0.009 0.000 1.288 2251 I HN 0.765 nan 8.210 nan 0.000 0.444 2252 A N 4.856 127.680 122.820 0.006 0.000 2.328 2252 A HA 0.699 5.018 4.320 -0.001 0.000 0.318 2252 A C -0.454 177.150 177.584 0.035 0.000 1.347 2252 A CA -0.358 51.681 52.037 0.003 0.000 0.842 2252 A CB 1.133 20.172 19.000 0.065 0.000 1.148 2252 A HN 0.573 nan 8.150 nan 0.000 0.499 2253 S N 0.829 116.529 115.700 -0.000 0.000 2.566 2253 S HA 0.516 4.986 4.470 -0.001 0.000 0.298 2253 S C 1.452 176.057 174.600 0.009 0.000 1.083 2253 S CA 0.133 58.340 58.200 0.011 0.000 0.978 2253 S CB 1.447 64.647 63.200 -0.001 0.000 1.073 2253 S HN 1.237 nan 8.310 nan 0.000 0.491 2254 S N 2.707 118.418 115.700 0.018 0.000 2.402 2254 S HA -0.029 4.440 4.470 -0.001 0.000 0.229 2254 S C 0.446 175.077 174.600 0.052 0.000 1.021 2254 S CA 1.008 59.227 58.200 0.033 0.000 0.974 2254 S CB -0.851 62.374 63.200 0.042 0.000 0.800 2254 S HN 0.889 nan 8.310 nan 0.000 0.484 2255 N N -0.684 118.040 118.700 0.041 0.000 2.732 2255 N HA 0.429 5.168 4.740 -0.001 0.000 0.259 2255 N C -0.284 175.237 175.510 0.018 0.000 1.402 2255 N CA -1.151 51.929 53.050 0.051 0.000 0.829 2255 N CB 1.047 39.592 38.487 0.096 0.000 1.495 2255 N HN -0.164 nan 8.380 nan 0.000 0.511 2256 K N -0.694 119.720 120.400 0.022 0.000 2.097 2256 K HA -0.044 4.275 4.320 -0.001 0.000 0.205 2256 K C 1.071 177.666 176.600 -0.007 0.000 1.050 2256 K CA 1.719 58.010 56.287 0.006 0.000 0.938 2256 K CB -0.306 32.200 32.500 0.011 0.000 0.718 2256 K HN 0.580 nan 8.250 nan 0.000 0.442 2257 T N 2.035 116.584 114.554 -0.009 0.000 2.708 2257 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 2257 T C 1.804 176.480 174.700 -0.042 0.000 1.037 2257 T CA 0.985 63.069 62.100 -0.026 0.000 1.146 2257 T CB -0.175 68.674 68.868 -0.033 0.000 0.865 2257 T HN 0.110 nan 8.240 nan 0.000 0.435 2258 L N 0.526 121.720 121.223 -0.048 0.000 2.017 2258 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 2258 L C 3.045 179.884 176.870 -0.052 0.000 1.073 2258 L CA 1.396 56.202 54.840 -0.056 0.000 0.745 2258 L CB -0.734 41.292 42.059 -0.055 0.000 0.894 2258 L HN 0.281 nan 8.230 nan 0.000 0.432 2259 A N -0.112 122.685 122.820 -0.037 0.000 1.883 2259 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 2259 A C 2.083 179.639 177.584 -0.048 0.000 1.186 2259 A CA 1.851 53.865 52.037 -0.038 0.000 0.624 2259 A CB -0.504 18.483 19.000 -0.022 0.000 0.822 2259 A HN 0.473 nan 8.150 nan 0.000 0.444 2260 E N -1.180 118.996 120.200 -0.039 0.000 2.110 2260 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 2260 E C 2.281 178.848 176.600 -0.055 0.000 0.988 2260 E CA 1.192 57.568 56.400 -0.040 0.000 0.804 2260 E CB -0.102 29.580 29.700 -0.029 0.000 0.745 2260 E HN 0.495 nan 8.360 nan 0.000 0.458 2261 R N 1.151 121.614 120.500 -0.061 0.000 2.075 2261 R HA -0.071 4.268 4.340 -0.001 0.000 0.232 2261 R C 2.013 178.254 176.300 -0.099 0.000 1.126 2261 R CA 1.078 57.135 56.100 -0.072 0.000 0.963 2261 R CB -0.342 29.916 30.300 -0.069 0.000 0.858 2261 R HN 0.134 nan 8.270 nan 0.000 0.435 2262 I N 0.344 120.843 120.570 -0.118 0.000 2.179 2262 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 2262 I C 2.315 178.316 176.117 -0.195 0.000 1.088 2262 I CA 1.357 62.544 61.300 -0.187 0.000 1.357 2262 I CB -0.473 37.400 38.000 -0.212 0.000 1.051 2262 I HN 0.303 nan 8.210 nan 0.000 0.409 2263 A N 0.572 123.311 122.820 -0.136 0.000 1.917 2263 A HA -0.307 4.013 4.320 -0.001 0.000 0.219 2263 A C 2.362 179.887 177.584 -0.099 0.000 1.182 2263 A CA 2.091 54.063 52.037 -0.109 0.000 0.633 2263 A CB -0.617 18.343 19.000 -0.067 0.000 0.819 2263 A HN 0.358 nan 8.150 nan 0.000 0.448 2264 K N -0.795 119.552 120.400 -0.088 0.000 2.209 2264 K HA -0.134 4.185 4.320 -0.001 0.000 0.204 2264 K C 1.300 177.850 176.600 -0.084 0.000 1.048 2264 K CA 1.407 57.650 56.287 -0.074 0.000 0.940 2264 K CB 0.015 32.477 32.500 -0.063 0.000 0.729 2264 K HN 0.458 nan 8.250 nan 0.000 0.451 2265 E N 0.046 120.177 120.200 -0.114 0.000 2.452 2265 E HA 0.017 4.366 4.350 -0.001 0.000 0.197 2265 E C -0.049 176.477 176.600 -0.124 0.000 1.022 2265 E CA 0.120 56.452 56.400 -0.113 0.000 0.890 2265 E CB 0.476 30.098 29.700 -0.131 0.000 0.918 2265 E HN 0.146 nan 8.360 nan 0.000 0.496 2266 I N 2.050 122.531 120.570 -0.148 0.000 2.342 2266 I HA 0.109 4.278 4.170 -0.001 0.000 0.291 2266 I C 0.581 176.650 176.117 -0.079 0.000 1.010 2266 I CA -0.904 60.311 61.300 -0.142 0.000 1.308 2266 I CB 0.918 38.800 38.000 -0.197 0.000 1.400 2266 I HN -0.066 nan 8.210 nan 0.000 0.488 2267 Q N 5.296 125.065 119.800 -0.052 0.000 2.286 2267 Q HA 0.323 4.662 4.340 -0.001 0.000 0.257 2267 Q C -0.861 175.126 176.000 -0.022 0.000 0.941 2267 Q CA -0.646 55.137 55.803 -0.032 0.000 0.912 2267 Q CB 0.956 29.681 28.738 -0.023 0.000 1.192 2267 Q HN 0.345 nan 8.270 nan 0.000 0.410 2268 I N 5.457 126.014 120.570 -0.023 0.000 2.474 2268 I HA 0.201 4.370 4.170 -0.001 0.000 0.287 2268 I C 0.380 176.487 176.117 -0.016 0.000 1.048 2268 I CA -0.700 60.588 61.300 -0.019 0.000 1.383 2268 I CB 0.727 38.712 38.000 -0.025 0.000 1.412 2268 I HN 0.590 nan 8.210 nan 0.000 0.531 2269 I N 5.433 125.993 120.570 -0.016 0.000 2.577 2269 I HA 0.641 4.810 4.170 -0.001 0.000 0.305 2269 I C -2.420 173.683 176.117 -0.023 0.000 0.986 2269 I CA -2.022 59.268 61.300 -0.016 0.000 1.189 2269 I CB 1.610 39.602 38.000 -0.014 0.000 1.355 2269 I HN 0.330 nan 8.210 nan 0.000 0.476 2270 P HA 0.555 nan 4.420 nan 0.000 0.285 2270 P C -1.230 176.054 177.300 -0.027 0.000 1.259 2270 P CA -0.276 62.810 63.100 -0.023 0.000 0.794 2270 P CB 1.585 33.276 31.700 -0.016 0.000 0.940 2271 L N 0.918 122.120 121.223 -0.035 0.000 2.506 2271 L HA 0.355 4.694 4.340 -0.001 0.000 0.257 2271 L C 0.077 176.924 176.870 -0.040 0.000 0.964 2271 L CA -0.859 53.955 54.840 -0.043 0.000 0.836 2271 L CB 2.574 44.587 42.059 -0.076 0.000 1.384 2271 L HN 0.333 nan 8.230 nan 0.000 0.410 2272 Q N 3.002 122.787 119.800 -0.025 0.000 2.286 2272 Q HA 0.215 4.554 4.340 -0.001 0.000 0.265 2272 Q C -0.417 175.568 176.000 -0.024 0.000 1.080 2272 Q CA -0.284 55.514 55.803 -0.009 0.000 0.906 2272 Q CB 0.608 29.361 28.738 0.025 0.000 1.227 2272 Q HN 0.432 nan 8.270 nan 0.000 0.409 2273 R N 2.937 123.417 120.500 -0.034 0.000 2.734 2273 R HA -0.037 4.302 4.340 -0.001 0.000 0.266 2273 R C 0.369 176.658 176.300 -0.018 0.000 1.044 2273 R CA -0.328 55.742 56.100 -0.051 0.000 1.128 2273 R CB 0.417 30.683 30.300 -0.056 0.000 1.010 2273 R HN 0.664 nan 8.270 nan 0.000 0.461 2274 D N 1.322 121.703 120.400 -0.031 0.000 2.378 2274 D HA -0.105 4.534 4.640 -0.001 0.000 0.222 2274 D C 0.542 176.850 176.300 0.013 0.000 0.980 2274 D CA 1.176 55.183 54.000 0.011 0.000 0.907 2274 D CB 0.045 40.823 40.800 -0.036 0.000 0.899 2274 D HN 0.534 nan 8.370 nan 0.000 0.527 2275 D N -0.845 119.548 120.400 -0.012 0.000 2.431 2275 D HA 0.061 4.700 4.640 -0.001 0.000 0.213 2275 D C 0.505 176.803 176.300 -0.002 0.000 1.130 2275 D CA -0.048 53.946 54.000 -0.009 0.000 0.834 2275 D CB 0.217 40.998 40.800 -0.031 0.000 0.985 2275 D HN 0.145 nan 8.370 nan 0.000 0.504 2276 E N -0.444 119.757 120.200 0.003 0.000 2.476 2276 E HA 0.659 5.008 4.350 -0.001 0.000 0.246 2276 E C -0.422 176.190 176.600 0.021 0.000 0.872 2276 E CA -0.612 55.792 56.400 0.007 0.000 0.867 2276 E CB 1.044 30.742 29.700 -0.003 0.000 1.533 2276 E HN 0.111 nan 8.360 nan 0.000 0.399 2277 D N 0.000 120.412 120.400 0.019 0.000 6.856 2277 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 2277 D CA 0.000 nan 54.000 nan 0.000 0.868 2277 D CB 0.000 nan 40.800 nan 0.000 0.688 2277 D HN 0.000 nan 8.370 nan 0.000 0.683