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 1m5h_1_C DATA FIRST_RESID 2001 DATA SEQUENCE MKVNGVEVEE TFAEAFDIKI ARVLITGYDY YWAWVAANEA TGFGTSVIMC DATA SEQUENCE PAEAGIEIKA KPSETPDGRP GYYIQICHMS KKGLEEQLLA RLGQCVLTAP DATA SEQUENCE TTAVFNGLPD AEEKDDTGFK LKFFADGYQK EVEVGGRKCW AVPMMEGDFI DATA SEQUENCE IENDIGYTNG IAGGNFFIMA ETQPSALAAA KAAVDAISDV EGVITPFPGG DATA SEQUENCE IVASGSKVGA NKYKFLKAST NEKFAPSIRD QVEGTQIPAG VKAVYEIVIN DATA SEQUENCE GLNADAIKEA TRVGILAATK IPGVVKITAG NYGGKLGKHI INLNELF 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.256 176.300 -0.074 0.000 1.140 2001 M CA 0.000 55.278 55.300 -0.036 0.000 0.988 2001 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 2002 K N 3.209 123.550 120.400 -0.098 0.000 2.259 2002 K HA 0.810 5.130 4.320 0.001 0.000 0.252 2002 K C -1.527 174.948 176.600 -0.209 0.000 0.936 2002 K CA -0.747 55.465 56.287 -0.125 0.000 0.810 2002 K CB 2.645 35.096 32.500 -0.083 0.000 1.143 2002 K HN 0.535 nan 8.250 nan 0.000 0.427 2003 V N 2.419 122.181 119.914 -0.252 0.000 2.482 2003 V HA 0.214 4.335 4.120 0.001 0.000 0.295 2003 V C 0.117 176.089 176.094 -0.204 0.000 1.026 2003 V CA -0.959 61.132 62.300 -0.348 0.000 0.856 2003 V CB 0.914 32.353 31.823 -0.640 0.000 1.001 2003 V HN 0.914 nan 8.190 nan 0.000 0.424 2004 N N 3.780 122.393 118.700 -0.144 0.000 2.727 2004 N HA -0.228 4.513 4.740 0.001 0.000 0.249 2004 N C 1.099 176.568 175.510 -0.069 0.000 1.048 2004 N CA 0.530 53.529 53.050 -0.085 0.000 0.714 2004 N CB -0.623 37.820 38.487 -0.073 0.000 0.959 2004 N HN 1.441 nan 8.380 nan 0.000 0.544 2005 G N -1.983 106.775 108.800 -0.070 0.000 2.155 2005 G HA2 -0.319 3.642 3.960 0.001 0.000 0.257 2005 G HA3 -0.319 3.642 3.960 0.001 0.000 0.257 2005 G C 0.070 174.939 174.900 -0.050 0.000 0.983 2005 G CA 0.489 45.558 45.100 -0.052 0.000 0.676 2005 G HN 0.412 nan 8.290 nan 0.000 0.528 2006 V N 0.382 120.255 119.914 -0.070 0.000 2.628 2006 V HA 0.533 4.653 4.120 0.001 0.000 0.306 2006 V C 0.412 176.465 176.094 -0.070 0.000 1.045 2006 V CA -1.272 60.995 62.300 -0.056 0.000 0.905 2006 V CB 2.001 33.794 31.823 -0.050 0.000 0.997 2006 V HN 0.279 nan 8.190 nan 0.000 0.436 2007 E N 2.572 122.748 120.200 -0.041 0.000 2.299 2007 E HA 0.241 4.592 4.350 0.001 0.000 0.272 2007 E C -1.262 175.316 176.600 -0.037 0.000 1.043 2007 E CA 0.098 56.476 56.400 -0.038 0.000 0.895 2007 E CB 1.399 31.090 29.700 -0.016 0.000 1.011 2007 E HN 0.428 nan 8.360 nan 0.000 0.432 2008 V N 5.391 125.272 119.914 -0.056 0.000 2.376 2008 V HA 0.124 4.245 4.120 0.001 0.000 0.287 2008 V C 0.303 176.390 176.094 -0.011 0.000 1.015 2008 V CA -0.761 61.514 62.300 -0.043 0.000 0.834 2008 V CB 1.416 33.177 31.823 -0.104 0.000 1.001 2008 V HN 0.636 nan 8.190 nan 0.000 0.428 2009 E N 3.850 124.054 120.200 0.007 0.000 2.415 2009 E HA 0.017 4.367 4.350 0.001 0.000 0.263 2009 E C 0.129 176.740 176.600 0.019 0.000 0.995 2009 E CA -0.097 56.308 56.400 0.009 0.000 0.915 2009 E CB 0.590 30.293 29.700 0.005 0.000 0.951 2009 E HN 0.672 nan 8.360 nan 0.000 0.449 2010 E N 3.791 124.008 120.200 0.028 0.000 2.467 2010 E HA 0.001 4.351 4.350 0.001 0.000 0.321 2010 E C -0.142 176.496 176.600 0.064 0.000 1.388 2010 E CA -0.011 56.420 56.400 0.052 0.000 1.508 2010 E CB 0.507 30.236 29.700 0.050 0.000 1.250 2010 E HN 0.340 nan 8.360 nan 0.000 0.500 2011 T N 0.234 114.813 114.554 0.042 0.000 2.678 2011 T HA 0.673 5.024 4.350 0.001 0.000 0.260 2011 T C -1.232 173.523 174.700 0.093 0.000 0.932 2011 T CA -0.675 61.437 62.100 0.019 0.000 1.043 2011 T CB 0.668 69.444 68.868 -0.153 0.000 1.413 2011 T HN 0.267 nan 8.240 nan 0.000 0.568 2012 F N -0.572 119.349 119.950 -0.048 0.000 2.643 2012 F HA 0.901 5.429 4.527 0.001 0.000 0.314 2012 F C -0.767 174.988 175.800 -0.075 0.000 1.096 2012 F CA -1.608 56.365 58.000 -0.045 0.000 0.953 2012 F CB 0.906 39.890 39.000 -0.028 0.000 1.345 2012 F HN 0.627 nan 8.300 nan 0.000 0.468 2013 A N 0.889 123.811 122.820 0.171 0.000 2.312 2013 A HA 0.627 4.947 4.320 0.001 0.000 0.326 2013 A C -0.995 176.748 177.584 0.265 0.000 1.172 2013 A CA -0.587 51.500 52.037 0.084 0.000 0.821 2013 A CB 1.075 20.123 19.000 0.080 0.000 1.166 2013 A HN 0.866 nan 8.150 nan 0.000 0.493 2014 E N 1.198 121.530 120.200 0.220 0.000 2.145 2014 E HA 0.568 4.918 4.350 0.001 0.000 0.262 2014 E C -0.239 176.397 176.600 0.061 0.000 0.883 2014 E CA -0.427 56.090 56.400 0.196 0.000 0.748 2014 E CB 1.268 31.156 29.700 0.314 0.000 1.140 2014 E HN 0.860 nan 8.360 nan 0.000 0.417 2015 A N 3.540 126.333 122.820 -0.044 0.000 2.263 2015 A HA 0.812 5.133 4.320 0.001 0.000 0.318 2015 A C -1.136 176.227 177.584 -0.369 0.000 1.111 2015 A CA -0.468 51.556 52.037 -0.022 0.000 0.901 2015 A CB 0.600 19.655 19.000 0.092 0.000 1.280 2015 A HN 0.543 nan 8.150 nan 0.000 0.503 2016 F N -0.938 119.095 119.950 0.139 0.000 2.620 2016 F HA 0.419 4.947 4.527 0.001 0.000 0.320 2016 F C -0.466 175.383 175.800 0.081 0.000 1.069 2016 F CA -0.633 57.453 58.000 0.143 0.000 0.953 2016 F CB 1.500 40.534 39.000 0.057 0.000 1.322 2016 F HN 0.525 nan 8.300 nan 0.000 0.479 2017 D N 1.343 121.925 120.400 0.303 0.000 2.341 2017 D HA 0.600 5.240 4.640 0.001 0.000 0.245 2017 D C -0.741 175.636 176.300 0.128 0.000 1.106 2017 D CA 0.236 54.344 54.000 0.180 0.000 0.905 2017 D CB 1.290 42.219 40.800 0.215 0.000 1.202 2017 D HN 0.462 nan 8.370 nan 0.000 0.426 2018 I N -0.013 120.603 120.570 0.077 0.000 2.882 2018 I HA 0.195 4.365 4.170 0.001 0.000 0.298 2018 I C -1.524 174.631 176.117 0.063 0.000 1.462 2018 I CA -0.960 60.375 61.300 0.059 0.000 1.000 2018 I CB 1.482 39.508 38.000 0.042 0.000 1.340 2018 I HN 0.074 nan 8.210 nan 0.000 0.462 2019 K N 6.826 127.262 120.400 0.062 0.000 2.174 2019 K HA 0.606 4.926 4.320 0.001 0.000 0.275 2019 K C -0.969 175.674 176.600 0.071 0.000 1.015 2019 K CA -0.250 56.081 56.287 0.074 0.000 0.933 2019 K CB 1.256 33.757 32.500 0.002 0.000 1.025 2019 K HN 0.469 nan 8.250 nan 0.000 0.463 2020 I N 1.236 121.875 120.570 0.114 0.000 2.569 2020 I HA 0.320 4.490 4.170 0.001 0.000 0.290 2020 I C -0.571 175.638 176.117 0.154 0.000 1.088 2020 I CA -1.065 60.296 61.300 0.103 0.000 1.047 2020 I CB 2.189 40.239 38.000 0.083 0.000 1.237 2020 I HN 0.525 nan 8.210 nan 0.000 0.421 2021 A N 6.064 128.963 122.820 0.132 0.000 2.324 2021 A HA 0.750 5.071 4.320 0.001 0.000 0.330 2021 A C -0.513 177.149 177.584 0.130 0.000 1.165 2021 A CA -0.617 51.520 52.037 0.166 0.000 0.813 2021 A CB 1.285 20.373 19.000 0.147 0.000 1.197 2021 A HN 0.799 nan 8.150 nan 0.000 0.484 2022 R N 1.937 122.517 120.500 0.135 0.000 2.343 2022 R HA 0.605 4.945 4.340 0.001 0.000 0.320 2022 R C -1.645 174.767 176.300 0.187 0.000 0.956 2022 R CA -0.242 55.941 56.100 0.139 0.000 0.836 2022 R CB 1.213 31.567 30.300 0.090 0.000 1.151 2022 R HN 0.519 nan 8.270 nan 0.000 0.450 2023 V N 5.420 125.466 119.914 0.219 0.000 2.680 2023 V HA 0.412 4.532 4.120 0.001 0.000 0.309 2023 V C -0.823 175.450 176.094 0.299 0.000 1.052 2023 V CA -1.046 61.392 62.300 0.229 0.000 0.908 2023 V CB 1.762 33.678 31.823 0.154 0.000 1.001 2023 V HN 0.606 nan 8.190 nan 0.000 0.431 2024 L N 5.751 127.142 121.223 0.279 0.000 2.287 2024 L HA 0.681 5.021 4.340 0.001 0.000 0.287 2024 L C -0.735 176.228 176.870 0.155 0.000 1.022 2024 L CA 0.239 55.168 54.840 0.150 0.000 0.814 2024 L CB 0.909 43.035 42.059 0.112 0.000 1.217 2024 L HN 0.564 nan 8.230 nan 0.000 0.420 2025 I N 4.860 125.502 120.570 0.119 0.000 2.389 2025 I HA 0.455 4.626 4.170 0.001 0.000 0.288 2025 I C 0.103 176.323 176.117 0.172 0.000 0.999 2025 I CA -0.369 61.020 61.300 0.147 0.000 1.129 2025 I CB 1.941 40.020 38.000 0.132 0.000 1.288 2025 I HN 0.744 nan 8.210 nan 0.000 0.444 2026 T N 1.865 116.541 114.554 0.202 0.000 2.949 2026 T HA 0.952 5.302 4.350 0.001 0.000 0.287 2026 T C -0.078 174.745 174.700 0.205 0.000 1.034 2026 T CA -0.761 61.458 62.100 0.197 0.000 1.018 2026 T CB 2.376 71.380 68.868 0.226 0.000 1.135 2026 T HN 0.782 nan 8.240 nan 0.000 0.532 2027 G N -1.206 107.718 108.800 0.207 0.000 2.634 2027 G HA2 0.412 4.372 3.960 0.001 0.000 0.309 2027 G HA3 0.412 4.372 3.960 0.001 0.000 0.309 2027 G C -0.120 174.971 174.900 0.318 0.000 1.299 2027 G CA -0.840 44.407 45.100 0.245 0.000 0.798 2027 G HN 0.737 nan 8.290 nan 0.000 0.490 2028 Y N 0.555 120.960 120.300 0.175 0.000 2.165 2028 Y HA -0.064 4.486 4.550 0.001 0.000 0.286 2028 Y C 1.402 177.383 175.900 0.135 0.000 1.155 2028 Y CA 1.618 59.811 58.100 0.156 0.000 1.164 2028 Y CB 0.283 38.876 38.460 0.222 0.000 0.978 2028 Y HN 0.698 nan 8.280 nan 0.000 0.513 2029 D N -4.998 115.632 120.400 0.383 0.000 2.677 2029 D HA 0.060 4.701 4.640 0.001 0.000 0.298 2029 D C -0.024 176.394 176.300 0.196 0.000 1.250 2029 D CA -0.744 53.357 54.000 0.168 0.000 0.888 2029 D CB -0.296 40.644 40.800 0.233 0.000 1.397 2029 D HN -0.048 nan 8.370 nan 0.000 0.461 2030 Y N -1.249 119.194 120.300 0.238 0.000 2.256 2030 Y HA -0.209 4.341 4.550 0.001 0.000 0.288 2030 Y C 2.057 178.185 175.900 0.381 0.000 1.155 2030 Y CA 1.312 59.589 58.100 0.295 0.000 1.203 2030 Y CB -0.305 38.272 38.460 0.196 0.000 0.980 2030 Y HN 0.505 nan 8.280 nan 0.000 0.530 2031 Y N -0.810 119.650 120.300 0.267 0.000 2.089 2031 Y HA -0.313 4.238 4.550 0.001 0.000 0.282 2031 Y C 1.847 177.791 175.900 0.074 0.000 1.139 2031 Y CA 1.388 59.515 58.100 0.045 0.000 1.123 2031 Y CB -0.945 37.348 38.460 -0.278 0.000 0.980 2031 Y HN 0.112 nan 8.280 nan 0.000 0.493 2032 W N -0.041 121.345 121.300 0.143 0.000 2.363 2032 W HA -0.119 4.541 4.660 0.001 0.000 0.296 2032 W C 2.679 179.211 176.519 0.022 0.000 1.212 2032 W CA 1.302 58.638 57.345 -0.015 0.000 1.260 2032 W CB -0.580 28.914 29.460 0.057 0.000 1.131 2032 W HN 0.180 nan 8.180 nan 0.000 0.530 2033 A N -0.498 122.547 122.820 0.375 0.000 1.902 2033 A HA -0.242 4.078 4.320 0.001 0.000 0.217 2033 A C 1.566 179.311 177.584 0.268 0.000 1.181 2033 A CA 1.506 53.758 52.037 0.358 0.000 0.623 2033 A CB -1.368 17.923 19.000 0.484 0.000 0.818 2033 A HN 0.536 nan 8.150 nan 0.000 0.443 2034 W N 0.517 121.840 121.300 0.038 0.000 2.388 2034 W HA -0.123 4.537 4.660 0.001 0.000 0.294 2034 W C 1.868 178.216 176.519 -0.284 0.000 1.212 2034 W CA 1.871 59.021 57.345 -0.325 0.000 1.271 2034 W CB -0.253 28.988 29.460 -0.365 0.000 1.126 2034 W HN 0.089 nan 8.180 nan 0.000 0.535 2035 V N 1.618 121.399 119.914 -0.221 0.000 2.324 2035 V HA -0.363 3.757 4.120 0.001 0.000 0.250 2035 V C 2.497 178.361 176.094 -0.383 0.000 1.060 2035 V CA 2.377 64.439 62.300 -0.397 0.000 1.042 2035 V CB -1.732 29.962 31.823 -0.215 0.000 0.650 2035 V HN 0.358 nan 8.190 nan 0.000 0.450 2036 A N -0.339 122.359 122.820 -0.204 0.000 1.873 2036 A HA -0.032 4.288 4.320 0.001 0.000 0.215 2036 A C 2.437 179.877 177.584 -0.240 0.000 1.186 2036 A CA 1.928 53.865 52.037 -0.168 0.000 0.616 2036 A CB -0.853 18.109 19.000 -0.063 0.000 0.823 2036 A HN 0.565 nan 8.150 nan 0.000 0.442 2037 A N 0.525 123.179 122.820 -0.276 0.000 1.883 2037 A HA -0.265 4.055 4.320 0.001 0.000 0.217 2037 A C 1.972 179.310 177.584 -0.409 0.000 1.186 2037 A CA 2.321 54.190 52.037 -0.281 0.000 0.624 2037 A CB -0.921 17.918 19.000 -0.268 0.000 0.822 2037 A HN 0.670 nan 8.150 nan 0.000 0.444 2038 N N -0.284 117.964 118.700 -0.754 0.000 2.069 2038 N HA -0.236 4.504 4.740 0.001 0.000 0.191 2038 N C 1.716 176.968 175.510 -0.430 0.000 1.031 2038 N CA 2.097 54.696 53.050 -0.751 0.000 0.852 2038 N CB -0.273 37.352 38.487 -1.436 0.000 1.018 2038 N HN 0.502 nan 8.380 nan 0.000 0.423 2039 E N -0.041 119.922 120.200 -0.394 0.000 2.051 2039 E HA -0.032 4.318 4.350 0.001 0.000 0.192 2039 E C 1.759 178.264 176.600 -0.158 0.000 0.991 2039 E CA 1.517 57.779 56.400 -0.230 0.000 0.799 2039 E CB -0.663 28.920 29.700 -0.194 0.000 0.748 2039 E HN 0.457 nan 8.360 nan 0.000 0.449 2040 A N -0.395 122.329 122.820 -0.160 0.000 2.070 2040 A HA -0.111 4.210 4.320 0.001 0.000 0.220 2040 A C 2.170 179.703 177.584 -0.085 0.000 1.159 2040 A CA 1.988 53.962 52.037 -0.105 0.000 0.656 2040 A CB -0.751 18.195 19.000 -0.089 0.000 0.800 2040 A HN 0.434 nan 8.150 nan 0.000 0.453 2041 T N -3.549 110.941 114.554 -0.106 0.000 3.092 2041 T HA 0.434 4.784 4.350 0.001 0.000 0.258 2041 T C 0.946 175.610 174.700 -0.059 0.000 1.031 2041 T CA 0.333 62.388 62.100 -0.075 0.000 0.925 2041 T CB 0.078 68.903 68.868 -0.071 0.000 1.036 2041 T HN 0.383 nan 8.240 nan 0.000 0.544 2042 G N 0.927 109.696 108.800 -0.051 0.000 2.653 2042 G HA2 0.368 4.328 3.960 0.001 0.000 0.265 2042 G HA3 0.368 4.328 3.960 0.001 0.000 0.265 2042 G C 0.007 174.964 174.900 0.094 0.000 1.237 2042 G CA -0.717 44.382 45.100 -0.001 0.000 0.946 2042 G HN 0.366 nan 8.290 nan 0.000 0.522 2043 F N -0.665 119.232 119.950 -0.088 0.000 2.970 2043 F HA -0.168 4.360 4.527 0.001 0.000 0.251 2043 F C 0.826 176.568 175.800 -0.098 0.000 0.993 2043 F CA 0.701 58.648 58.000 -0.088 0.000 0.869 2043 F CB -0.999 37.960 39.000 -0.069 0.000 0.762 2043 F HN 0.828 nan 8.300 nan 0.000 0.817 2044 G N 0.692 109.481 108.800 -0.018 0.000 4.831 2044 G HA2 0.339 4.299 3.960 0.001 0.000 0.231 2044 G HA3 0.339 4.299 3.960 0.001 0.000 0.231 2044 G C 0.743 175.534 174.900 -0.181 0.000 1.006 2044 G CA 0.306 45.322 45.100 -0.141 0.000 0.792 2044 G HN 0.672 nan 8.290 nan 0.000 0.546 2045 T N -2.930 111.457 114.554 -0.280 0.000 2.901 2045 T HA 0.319 4.670 4.350 0.001 0.000 0.252 2045 T C 1.136 175.517 174.700 -0.531 0.000 1.035 2045 T CA 0.897 62.641 62.100 -0.594 0.000 1.142 2045 T CB 0.410 68.644 68.868 -1.057 0.000 0.869 2045 T HN 0.546 nan 8.240 nan 0.000 0.442 2046 S N -0.757 114.740 115.700 -0.338 0.000 2.536 2046 S HA 0.469 4.940 4.470 0.001 0.000 0.271 2046 S C 0.217 174.734 174.600 -0.138 0.000 1.134 2046 S CA -0.522 57.581 58.200 -0.161 0.000 0.897 2046 S CB 1.988 65.153 63.200 -0.058 0.000 1.094 2046 S HN 0.189 nan 8.310 nan 0.000 0.473 2047 V N 6.225 126.063 119.914 -0.127 0.000 3.444 2047 V HA 0.090 4.211 4.120 0.001 0.000 0.271 2047 V C 1.480 177.496 176.094 -0.131 0.000 1.188 2047 V CA 1.378 63.580 62.300 -0.163 0.000 1.168 2047 V CB -1.235 30.458 31.823 -0.216 0.000 0.810 2047 V HN 0.840 nan 8.190 nan 0.000 0.500 2048 I N -0.388 120.129 120.570 -0.087 0.000 2.179 2048 I HA -0.169 4.001 4.170 0.001 0.000 0.242 2048 I C 2.012 178.105 176.117 -0.040 0.000 1.088 2048 I CA 1.919 63.186 61.300 -0.054 0.000 1.357 2048 I CB -0.063 37.929 38.000 -0.012 0.000 1.051 2048 I HN 0.424 nan 8.210 nan 0.000 0.409 2049 M N -1.360 118.218 119.600 -0.037 0.000 2.313 2049 M HA 0.253 4.734 4.480 0.001 0.000 0.400 2049 M C -0.570 175.709 176.300 -0.035 0.000 0.989 2049 M CA -0.052 55.245 55.300 -0.005 0.000 0.977 2049 M CB 0.636 33.267 32.600 0.052 0.000 1.808 2049 M HN 0.004 nan 8.290 nan 0.000 0.613 2050 C N 0.616 119.821 119.300 -0.158 0.000 2.397 2050 C HA 0.504 4.965 4.460 0.001 0.000 0.343 2050 C C -1.017 173.724 174.990 -0.415 0.000 1.188 2050 C CA -0.845 57.909 59.018 -0.440 0.000 1.992 2050 C CB 1.468 28.977 27.740 -0.385 0.000 2.358 2050 C HN 0.317 nan 8.230 nan 0.000 0.518 2051 P HA 0.029 nan 4.420 nan 0.000 0.223 2051 P C 0.122 177.344 177.300 -0.130 0.000 1.144 2051 P CA 1.454 64.378 63.100 -0.293 0.000 0.783 2051 P CB 0.229 31.725 31.700 -0.339 0.000 0.771 2052 A N -1.930 120.776 122.820 -0.189 0.000 2.456 2052 A HA 0.404 4.724 4.320 0.001 0.000 0.294 2052 A C -1.657 175.848 177.584 -0.131 0.000 1.057 2052 A CA -0.717 51.265 52.037 -0.091 0.000 0.623 2052 A CB 0.353 19.345 19.000 -0.014 0.000 1.338 2052 A HN -0.133 nan 8.150 nan 0.000 0.464 2053 E N -0.297 119.855 120.200 -0.080 0.000 2.145 2053 E HA 0.625 4.976 4.350 0.001 0.000 0.270 2053 E C -0.282 176.297 176.600 -0.034 0.000 0.906 2053 E CA -0.260 56.098 56.400 -0.070 0.000 0.761 2053 E CB 1.892 31.568 29.700 -0.041 0.000 1.116 2053 E HN 1.091 nan 8.360 nan 0.000 0.408 2054 A N 2.368 125.165 122.820 -0.038 0.000 2.569 2054 A HA 0.995 5.315 4.320 0.001 0.000 0.290 2054 A C -0.516 177.067 177.584 -0.001 0.000 1.136 2054 A CA -0.258 51.771 52.037 -0.013 0.000 0.710 2054 A CB 2.139 21.123 19.000 -0.028 0.000 1.303 2054 A HN 0.649 nan 8.150 nan 0.000 0.413 2055 G N -0.940 107.870 108.800 0.016 0.000 2.368 2055 G HA2 0.502 4.463 3.960 0.001 0.000 0.293 2055 G HA3 0.502 4.463 3.960 0.001 0.000 0.293 2055 G C -1.495 173.433 174.900 0.047 0.000 1.467 2055 G CA -0.720 44.396 45.100 0.027 0.000 0.804 2055 G HN 0.754 nan 8.290 nan 0.000 0.535 2056 I N 1.047 121.649 120.570 0.054 0.000 2.371 2056 I HA 0.222 4.393 4.170 0.001 0.000 0.290 2056 I C 1.351 177.561 176.117 0.155 0.000 1.028 2056 I CA -0.259 61.099 61.300 0.096 0.000 1.345 2056 I CB 1.901 39.938 38.000 0.062 0.000 1.407 2056 I HN 0.885 nan 8.210 nan 0.000 0.501 2057 E N 6.750 127.072 120.200 0.203 0.000 2.035 2057 E HA 0.177 4.527 4.350 0.001 0.000 0.191 2057 E C 0.103 176.839 176.600 0.226 0.000 0.966 2057 E CA 0.597 57.113 56.400 0.192 0.000 0.823 2057 E CB 0.792 30.600 29.700 0.179 0.000 0.791 2057 E HN 0.577 nan 8.360 nan 0.000 0.459 2058 I N 0.130 120.886 120.570 0.310 0.000 2.908 2058 I HA 0.211 4.381 4.170 0.001 0.000 0.300 2058 I C -1.358 174.935 176.117 0.293 0.000 1.385 2058 I CA -0.877 60.591 61.300 0.279 0.000 1.004 2058 I CB 1.803 39.922 38.000 0.199 0.000 1.309 2058 I HN -0.067 nan 8.210 nan 0.000 0.449 2059 K N 3.892 124.342 120.400 0.083 0.000 2.319 2059 K HA 0.554 4.874 4.320 0.001 0.000 0.265 2059 K C -0.595 175.981 176.600 -0.041 0.000 1.000 2059 K CA -0.303 55.818 56.287 -0.276 0.000 0.943 2059 K CB 0.828 33.020 32.500 -0.514 0.000 0.950 2059 K HN 0.541 nan 8.250 nan 0.000 0.485 2060 A N 2.984 125.757 122.820 -0.078 0.000 2.319 2060 A HA 0.282 4.603 4.320 0.001 0.000 0.310 2060 A C -0.742 176.889 177.584 0.078 0.000 1.152 2060 A CA -0.920 51.116 52.037 -0.002 0.000 0.783 2060 A CB 0.526 19.352 19.000 -0.290 0.000 1.184 2060 A HN 0.645 nan 8.150 nan 0.000 0.474 2061 K N 3.179 123.641 120.400 0.104 0.000 2.202 2061 K HA 0.258 4.578 4.320 0.001 0.000 0.264 2061 K C -1.897 174.718 176.600 0.025 0.000 1.010 2061 K CA -1.619 54.736 56.287 0.113 0.000 0.940 2061 K CB 0.663 33.224 32.500 0.102 0.000 0.983 2061 K HN 0.274 nan 8.250 nan 0.000 0.475 2062 P HA -0.265 nan 4.420 nan 0.000 0.217 2062 P C 1.050 178.334 177.300 -0.026 0.000 1.151 2062 P CA 1.539 64.614 63.100 -0.042 0.000 0.849 2062 P CB 0.096 31.766 31.700 -0.050 0.000 0.787 2063 S N -0.649 115.048 115.700 -0.005 0.000 2.547 2063 S HA -0.145 4.325 4.470 0.001 0.000 0.235 2063 S C 1.514 176.113 174.600 -0.001 0.000 0.980 2063 S CA 0.967 59.165 58.200 -0.003 0.000 0.941 2063 S CB -1.004 62.201 63.200 0.009 0.000 0.763 2063 S HN 0.444 nan 8.310 nan 0.000 0.532 2064 E N 0.919 121.123 120.200 0.006 0.000 2.562 2064 E HA 0.097 4.448 4.350 0.001 0.000 0.214 2064 E C 0.283 176.880 176.600 -0.004 0.000 0.979 2064 E CA 0.065 56.479 56.400 0.024 0.000 1.002 2064 E CB 0.120 29.867 29.700 0.079 0.000 1.048 2064 E HN 0.518 nan 8.360 nan 0.000 0.488 2065 T N -1.445 113.072 114.554 -0.061 0.000 2.928 2065 T HA 0.335 4.686 4.350 0.001 0.000 0.284 2065 T C -1.981 172.579 174.700 -0.233 0.000 1.008 2065 T CA -1.980 60.032 62.100 -0.146 0.000 1.057 2065 T CB 1.768 70.552 68.868 -0.140 0.000 1.018 2065 T HN -0.310 nan 8.240 nan 0.000 0.493 2066 P HA -0.069 nan 4.420 nan 0.000 0.215 2066 P C 0.927 178.006 177.300 -0.369 0.000 1.153 2066 P CA 1.085 63.876 63.100 -0.515 0.000 0.853 2066 P CB -0.000 31.086 31.700 -1.023 0.000 0.788 2067 D N -2.335 117.849 120.400 -0.359 0.000 2.339 2067 D HA 0.122 4.762 4.640 0.001 0.000 0.217 2067 D C 1.274 177.541 176.300 -0.056 0.000 1.050 2067 D CA 0.504 54.443 54.000 -0.102 0.000 0.856 2067 D CB -0.966 39.884 40.800 0.084 0.000 0.922 2067 D HN 0.188 nan 8.370 nan 0.000 0.518 2068 G N 0.438 109.186 108.800 -0.087 0.000 2.160 2068 G HA2 -0.330 3.630 3.960 0.001 0.000 0.251 2068 G HA3 -0.330 3.630 3.960 0.001 0.000 0.251 2068 G C 0.094 174.971 174.900 -0.039 0.000 1.008 2068 G CA 0.112 45.179 45.100 -0.055 0.000 0.724 2068 G HN 0.489 nan 8.290 nan 0.000 0.514 2069 R N 0.299 120.782 120.500 -0.027 0.000 2.828 2069 R HA 0.647 4.988 4.340 0.001 0.000 0.264 2069 R C -2.367 173.891 176.300 -0.069 0.000 1.022 2069 R CA -1.999 54.087 56.100 -0.022 0.000 1.021 2069 R CB 1.666 31.997 30.300 0.051 0.000 1.163 2069 R HN 0.111 nan 8.270 nan 0.000 0.494 2070 P HA 0.222 nan 4.420 nan 0.000 0.274 2070 P C -0.591 176.631 177.300 -0.130 0.000 1.231 2070 P CA -0.062 62.836 63.100 -0.336 0.000 0.790 2070 P CB 1.333 32.481 31.700 -0.921 0.000 0.951 2071 G N 0.188 108.963 108.800 -0.041 0.000 2.561 2071 G HA2 0.565 4.525 3.960 0.001 0.000 0.310 2071 G HA3 0.565 4.525 3.960 0.001 0.000 0.310 2071 G C -2.327 172.539 174.900 -0.057 0.000 1.292 2071 G CA -0.468 44.669 45.100 0.061 0.000 0.811 2071 G HN 0.385 nan 8.290 nan 0.000 0.482 2072 Y N -1.272 119.064 120.300 0.059 0.000 2.534 2072 Y HA 0.590 5.140 4.550 0.001 0.000 0.345 2072 Y C -1.116 174.772 175.900 -0.020 0.000 1.031 2072 Y CA -0.628 57.512 58.100 0.066 0.000 1.022 2072 Y CB 2.470 41.020 38.460 0.150 0.000 1.292 2072 Y HN 0.530 nan 8.280 nan 0.000 0.459 2073 Y N 3.930 124.405 120.300 0.292 0.000 2.330 2073 Y HA 0.630 5.181 4.550 0.001 0.000 0.336 2073 Y C 0.145 176.155 175.900 0.184 0.000 1.036 2073 Y CA -0.893 57.327 58.100 0.200 0.000 1.125 2073 Y CB 1.297 39.847 38.460 0.149 0.000 1.194 2073 Y HN 0.424 nan 8.280 nan 0.000 0.469 2074 I N -0.181 120.567 120.570 0.297 0.000 2.892 2074 I HA 0.634 4.804 4.170 0.001 0.000 0.306 2074 I C -1.361 174.845 176.117 0.150 0.000 1.078 2074 I CA -1.139 60.270 61.300 0.181 0.000 1.032 2074 I CB 2.390 40.454 38.000 0.106 0.000 1.229 2074 I HN 0.471 nan 8.210 nan 0.000 0.435 2075 Q N 4.067 123.930 119.800 0.105 0.000 2.333 2075 Q HA 0.656 4.997 4.340 0.001 0.000 0.267 2075 Q C -1.368 174.667 176.000 0.058 0.000 1.012 2075 Q CA -0.697 55.157 55.803 0.086 0.000 0.824 2075 Q CB 3.198 31.983 28.738 0.079 0.000 1.290 2075 Q HN 0.608 nan 8.270 nan 0.000 0.449 2076 I N 2.050 122.652 120.570 0.054 0.000 2.436 2076 I HA 0.442 4.613 4.170 0.001 0.000 0.289 2076 I C -0.775 175.364 176.117 0.037 0.000 1.010 2076 I CA -0.718 60.601 61.300 0.031 0.000 1.098 2076 I CB 1.476 39.489 38.000 0.021 0.000 1.266 2076 I HN 0.611 nan 8.210 nan 0.000 0.434 2077 C N 4.254 123.572 119.300 0.030 0.000 2.561 2077 C HA 0.749 5.210 4.460 0.001 0.000 0.319 2077 C C -0.326 174.705 174.990 0.069 0.000 1.198 2077 C CA -0.757 58.286 59.018 0.041 0.000 1.665 2077 C CB 1.115 28.872 27.740 0.027 0.000 2.258 2077 C HN 0.809 nan 8.230 nan 0.000 0.493 2078 H N 0.496 119.536 119.070 -0.050 0.000 3.064 2078 H HA 0.337 4.893 4.556 0.001 0.000 0.352 2078 H C 0.427 175.725 175.328 -0.051 0.000 1.260 2078 H CA -0.700 55.310 56.048 -0.064 0.000 1.160 2078 H CB 0.968 30.679 29.762 -0.084 0.000 1.879 2078 H HN 0.455 nan 8.280 nan 0.000 0.544 2079 M N 0.999 120.457 119.600 -0.236 0.000 2.296 2079 M HA 0.015 4.495 4.480 0.001 0.000 0.265 2079 M C 0.495 176.844 176.300 0.082 0.000 1.064 2079 M CA 0.819 56.075 55.300 -0.073 0.000 1.109 2079 M CB -0.985 31.516 32.600 -0.166 0.000 1.396 2079 M HN 0.544 nan 8.290 nan 0.000 0.430 2080 S N -0.914 114.962 115.700 0.294 0.000 2.568 2080 S HA 0.441 4.911 4.470 0.001 0.000 0.293 2080 S C 0.642 175.255 174.600 0.021 0.000 1.089 2080 S CA -0.944 57.340 58.200 0.140 0.000 0.945 2080 S CB 2.647 65.918 63.200 0.119 0.000 1.077 2080 S HN 0.139 nan 8.310 nan 0.000 0.485 2081 K N 1.005 121.364 120.400 -0.069 0.000 2.032 2081 K HA -0.113 4.207 4.320 0.001 0.000 0.209 2081 K C 1.490 177.962 176.600 -0.212 0.000 1.048 2081 K CA 1.539 57.700 56.287 -0.210 0.000 0.927 2081 K CB -0.304 32.108 32.500 -0.145 0.000 0.712 2081 K HN 0.433 nan 8.250 nan 0.000 0.441 2082 K N 0.407 120.726 120.400 -0.136 0.000 2.097 2082 K HA -0.080 4.241 4.320 0.001 0.000 0.206 2082 K C 2.108 178.566 176.600 -0.236 0.000 1.049 2082 K CA 1.400 57.604 56.287 -0.139 0.000 0.933 2082 K CB -0.848 31.602 32.500 -0.083 0.000 0.717 2082 K HN 0.333 nan 8.250 nan 0.000 0.442 2083 G N 0.910 109.501 108.800 -0.349 0.000 2.421 2083 G HA2 -0.234 3.726 3.960 0.001 0.000 0.216 2083 G HA3 -0.234 3.726 3.960 0.001 0.000 0.216 2083 G C 1.439 175.858 174.900 -0.800 0.000 1.171 2083 G CA 0.748 45.325 45.100 -0.872 0.000 0.775 2083 G HN 0.230 nan 8.290 nan 0.000 0.543 2084 L N 0.803 121.733 121.223 -0.488 0.000 2.046 2084 L HA 0.023 4.363 4.340 0.001 0.000 0.208 2084 L C 2.585 179.321 176.870 -0.222 0.000 1.077 2084 L CA 2.574 57.256 54.840 -0.264 0.000 0.747 2084 L CB -0.715 41.212 42.059 -0.219 0.000 0.896 2084 L HN 0.454 nan 8.230 nan 0.000 0.432 2085 E N -0.459 119.605 120.200 -0.228 0.000 2.085 2085 E HA -0.280 4.070 4.350 0.001 0.000 0.194 2085 E C 1.922 178.455 176.600 -0.112 0.000 0.994 2085 E CA 1.747 58.064 56.400 -0.137 0.000 0.801 2085 E CB -0.098 29.537 29.700 -0.108 0.000 0.743 2085 E HN 0.694 nan 8.360 nan 0.000 0.453 2086 E N -0.131 119.975 120.200 -0.158 0.000 2.077 2086 E HA -0.202 4.149 4.350 0.001 0.000 0.193 2086 E C 2.322 178.853 176.600 -0.115 0.000 0.989 2086 E CA 0.835 57.156 56.400 -0.131 0.000 0.800 2086 E CB -0.016 29.586 29.700 -0.164 0.000 0.746 2086 E HN 0.227 nan 8.360 nan 0.000 0.452 2087 Q N 0.575 120.287 119.800 -0.146 0.000 2.084 2087 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 2087 Q C 2.400 178.363 176.000 -0.061 0.000 0.978 2087 Q CA 1.015 56.758 55.803 -0.100 0.000 0.844 2087 Q CB -0.294 28.390 28.738 -0.091 0.000 0.898 2087 Q HN 0.356 nan 8.270 nan 0.000 0.426 2088 L N -0.022 121.171 121.223 -0.050 0.000 2.012 2088 L HA -0.216 4.125 4.340 0.001 0.000 0.210 2088 L C 2.291 179.156 176.870 -0.009 0.000 1.073 2088 L CA 0.803 55.635 54.840 -0.014 0.000 0.748 2088 L CB -0.521 41.542 42.059 0.007 0.000 0.891 2088 L HN 0.225 nan 8.230 nan 0.000 0.431 2089 L N -0.458 120.756 121.223 -0.015 0.000 2.017 2089 L HA -0.204 4.136 4.340 0.001 0.000 0.208 2089 L C 2.862 179.719 176.870 -0.023 0.000 1.073 2089 L CA 2.128 56.963 54.840 -0.007 0.000 0.745 2089 L CB -1.639 40.417 42.059 -0.006 0.000 0.894 2089 L HN 0.274 nan 8.230 nan 0.000 0.432 2090 A N -0.050 122.749 122.820 -0.035 0.000 1.858 2090 A HA -0.204 4.116 4.320 0.001 0.000 0.216 2090 A C 2.448 180.004 177.584 -0.046 0.000 1.190 2090 A CA 1.419 53.431 52.037 -0.041 0.000 0.617 2090 A CB -0.464 18.510 19.000 -0.044 0.000 0.827 2090 A HN 0.315 nan 8.150 nan 0.000 0.443 2091 R N -0.560 119.914 120.500 -0.045 0.000 2.073 2091 R HA -0.011 4.329 4.340 0.001 0.000 0.234 2091 R C 2.113 178.383 176.300 -0.051 0.000 1.134 2091 R CA 1.529 57.600 56.100 -0.047 0.000 0.952 2091 R CB -0.518 29.756 30.300 -0.043 0.000 0.850 2091 R HN 0.492 nan 8.270 nan 0.000 0.433 2092 L N -0.621 120.584 121.223 -0.031 0.000 2.109 2092 L HA -0.025 4.315 4.340 0.001 0.000 0.207 2092 L C 2.497 179.335 176.870 -0.054 0.000 1.086 2092 L CA 1.210 56.039 54.840 -0.019 0.000 0.760 2092 L CB -0.594 41.484 42.059 0.031 0.000 0.910 2092 L HN 0.382 nan 8.230 nan 0.000 0.437 2093 G N -1.167 107.596 108.800 -0.062 0.000 2.421 2093 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 2093 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 2093 G C 1.548 176.339 174.900 -0.182 0.000 1.143 2093 G CA 0.147 45.176 45.100 -0.118 0.000 0.784 2093 G HN 0.252 nan 8.290 nan 0.000 0.541 2094 Q N -0.744 118.977 119.800 -0.131 0.000 2.391 2094 Q HA 0.111 4.451 4.340 0.001 0.000 0.211 2094 Q C 2.057 177.976 176.000 -0.135 0.000 0.908 2094 Q CA 0.449 56.175 55.803 -0.128 0.000 0.920 2094 Q CB 0.462 29.154 28.738 -0.078 0.000 1.056 2094 Q HN 0.547 nan 8.270 nan 0.000 0.523 2095 C N -1.070 118.152 119.300 -0.130 0.000 3.364 2095 C HA 0.280 4.741 4.460 0.001 0.000 0.340 2095 C C 2.205 177.102 174.990 -0.155 0.000 1.336 2095 C CA -0.239 58.701 59.018 -0.130 0.000 1.778 2095 C CB 0.251 27.929 27.740 -0.104 0.000 2.398 2095 C HN 0.129 nan 8.230 nan 0.000 0.667 2096 V N 0.348 120.159 119.914 -0.172 0.000 3.090 2096 V HA 0.116 4.236 4.120 0.001 0.000 0.237 2096 V C 1.902 177.753 176.094 -0.405 0.000 1.209 2096 V CA 0.578 62.769 62.300 -0.183 0.000 1.209 2096 V CB -0.423 31.365 31.823 -0.058 0.000 0.971 2096 V HN 0.463 nan 8.190 nan 0.000 0.477 2097 L N 1.453 122.360 121.223 -0.527 0.000 2.353 2097 L HA -0.107 4.234 4.340 0.001 0.000 0.220 2097 L C 2.170 178.516 176.870 -0.873 0.000 1.133 2097 L CA 2.077 56.230 54.840 -1.146 0.000 0.798 2097 L CB -0.117 41.562 42.059 -0.633 0.000 0.922 2097 L HN 0.614 nan 8.230 nan 0.000 0.445 2098 T N -3.192 111.050 114.554 -0.520 0.000 3.069 2098 T HA 0.405 4.756 4.350 0.001 0.000 0.252 2098 T C 0.734 175.263 174.700 -0.285 0.000 1.053 2098 T CA 0.142 62.022 62.100 -0.368 0.000 0.964 2098 T CB 0.007 68.717 68.868 -0.264 0.000 1.005 2098 T HN 0.292 nan 8.240 nan 0.000 0.532 2099 A N 2.511 125.155 122.820 -0.293 0.000 2.316 2099 A HA 0.676 4.997 4.320 0.001 0.000 0.284 2099 A C -2.668 174.774 177.584 -0.236 0.000 1.115 2099 A CA -1.888 50.029 52.037 -0.201 0.000 0.812 2099 A CB 0.122 19.038 19.000 -0.140 0.000 1.064 2099 A HN 0.211 nan 8.150 nan 0.000 0.489 2100 P HA 0.151 nan 4.420 nan 0.000 0.267 2100 P C 0.676 177.709 177.300 -0.444 0.000 1.205 2100 P CA 1.581 64.416 63.100 -0.440 0.000 0.765 2100 P CB 0.557 31.801 31.700 -0.759 0.000 0.828 2101 T N -1.132 113.168 114.554 -0.422 0.000 7.578 2101 T HA -0.229 4.121 4.350 0.001 0.000 0.299 2101 T C 0.408 175.077 174.700 -0.051 0.000 2.097 2101 T CA 1.535 63.438 62.100 -0.328 0.000 3.248 2101 T CB -2.918 65.523 68.868 -0.710 0.000 2.014 2101 T HN 0.648 nan 8.240 nan 0.000 1.198 2102 T N -0.243 114.298 114.554 -0.022 0.000 2.860 2102 T HA 0.670 5.021 4.350 0.001 0.000 0.299 2102 T C 0.150 175.013 174.700 0.271 0.000 1.045 2102 T CA -0.133 62.033 62.100 0.110 0.000 1.071 2102 T CB 1.521 70.425 68.868 0.060 0.000 0.985 2102 T HN 1.852 nan 8.240 nan 0.000 0.537 2103 A N 1.333 124.279 122.820 0.211 0.000 2.520 2103 A HA 0.716 5.037 4.320 0.001 0.000 0.298 2103 A C -0.327 177.152 177.584 -0.174 0.000 1.051 2103 A CA -0.581 51.450 52.037 -0.009 0.000 0.690 2103 A CB 1.713 20.698 19.000 -0.025 0.000 1.281 2103 A HN 1.923 nan 8.150 nan 0.000 0.402 2104 V N -0.416 119.200 119.914 -0.496 0.000 2.680 2104 V HA 1.004 5.124 4.120 0.001 0.000 0.309 2104 V C -1.060 174.604 176.094 -0.717 0.000 1.052 2104 V CA -0.857 61.228 62.300 -0.358 0.000 0.908 2104 V CB 1.152 32.932 31.823 -0.071 0.000 1.001 2104 V HN 0.783 nan 8.190 nan 0.000 0.431 2105 F N 1.299 121.282 119.950 0.054 0.000 2.675 2105 F HA 0.539 5.066 4.527 0.000 0.000 0.324 2105 F C 0.256 176.116 175.800 0.099 0.000 1.106 2105 F CA -0.956 57.080 58.000 0.059 0.000 0.970 2105 F CB 1.507 40.537 39.000 0.051 0.000 1.385 2105 F HN 0.590 nan 8.300 nan 0.000 0.489 2106 N N 0.565 119.452 118.700 0.312 0.000 2.452 2106 N HA 0.132 4.872 4.740 0.001 0.000 0.266 2106 N C 0.695 176.357 175.510 0.253 0.000 1.175 2106 N CA 0.275 53.460 53.050 0.226 0.000 0.945 2106 N CB 1.575 40.164 38.487 0.169 0.000 1.063 2106 N HN 0.838 nan 8.380 nan 0.000 0.472 2107 G N 2.844 111.795 108.800 0.251 0.000 2.880 2107 G HA2 0.114 4.075 3.960 0.001 0.000 0.209 2107 G HA3 0.114 4.075 3.960 0.001 0.000 0.209 2107 G C 0.553 175.514 174.900 0.101 0.000 1.157 2107 G CA 0.147 45.410 45.100 0.273 0.000 0.779 2107 G HN 0.573 nan 8.290 nan 0.000 0.539 2108 L N 1.339 122.615 121.223 0.089 0.000 2.551 2108 L HA 0.257 4.598 4.340 0.001 0.000 0.248 2108 L C -1.545 175.346 176.870 0.035 0.000 1.509 2108 L CA -1.353 53.508 54.840 0.035 0.000 0.842 2108 L CB 2.166 44.240 42.059 0.024 0.000 1.087 2108 L HN -0.080 nan 8.230 nan 0.000 0.512 2109 P HA -0.159 nan 4.420 nan 0.000 0.221 2109 P C 0.201 177.509 177.300 0.014 0.000 1.145 2109 P CA 1.226 64.350 63.100 0.041 0.000 0.795 2109 P CB 0.426 32.154 31.700 0.047 0.000 0.775 2110 D N -0.647 119.753 120.400 0.000 0.000 2.424 2110 D HA 0.246 4.886 4.640 0.001 0.000 0.220 2110 D C 0.652 176.936 176.300 -0.027 0.000 1.150 2110 D CA -0.175 53.819 54.000 -0.012 0.000 0.831 2110 D CB 0.365 41.158 40.800 -0.012 0.000 0.981 2110 D HN 0.117 nan 8.370 nan 0.000 0.500 2111 A N 0.802 123.601 122.820 -0.036 0.000 2.407 2111 A HA 0.086 4.406 4.320 0.001 0.000 0.248 2111 A C 1.483 179.010 177.584 -0.095 0.000 1.082 2111 A CA -0.257 51.736 52.037 -0.072 0.000 0.785 2111 A CB 1.039 19.982 19.000 -0.095 0.000 1.020 2111 A HN 0.103 nan 8.150 nan 0.000 0.489 2112 E N 1.291 121.423 120.200 -0.114 0.000 2.017 2112 E HA -0.139 4.212 4.350 0.001 0.000 0.193 2112 E C 0.120 176.625 176.600 -0.159 0.000 0.997 2112 E CA 1.220 57.555 56.400 -0.109 0.000 0.804 2112 E CB 0.034 29.678 29.700 -0.093 0.000 0.757 2112 E HN 0.823 nan 8.360 nan 0.000 0.448 2113 E N -0.050 119.968 120.200 -0.305 0.000 2.214 2113 E HA 0.386 4.737 4.350 0.001 0.000 0.274 2113 E C -0.912 175.358 176.600 -0.549 0.000 0.977 2113 E CA -0.382 55.749 56.400 -0.449 0.000 0.827 2113 E CB 1.884 31.162 29.700 -0.703 0.000 1.130 2113 E HN 0.004 nan 8.360 nan 0.000 0.394 2114 K N 1.133 121.388 120.400 -0.242 0.000 2.575 2114 K HA 0.293 4.613 4.320 0.001 0.000 0.279 2114 K C -1.633 175.078 176.600 0.185 0.000 0.969 2114 K CA -0.843 55.439 56.287 -0.010 0.000 0.868 2114 K CB 2.068 34.572 32.500 0.007 0.000 1.457 2114 K HN 0.377 nan 8.250 nan 0.000 0.426 2115 D N 0.382 120.928 120.400 0.244 0.000 2.340 2115 D HA 0.138 4.779 4.640 0.001 0.000 0.240 2115 D C -0.831 175.558 176.300 0.148 0.000 1.001 2115 D CA -0.513 53.602 54.000 0.192 0.000 0.888 2115 D CB 1.158 42.060 40.800 0.171 0.000 1.310 2115 D HN 0.517 nan 8.370 nan 0.000 0.474 2116 D N 1.651 122.132 120.400 0.136 0.000 3.085 2116 D HA -0.021 4.619 4.640 0.001 0.000 0.243 2116 D C 1.190 177.609 176.300 0.197 0.000 1.232 2116 D CA -0.129 53.973 54.000 0.170 0.000 0.913 2116 D CB -0.425 40.466 40.800 0.152 0.000 1.108 2116 D HN 0.391 nan 8.370 nan 0.000 0.468 2117 T N -2.886 111.759 114.554 0.151 0.000 2.788 2117 T HA -0.125 4.225 4.350 0.001 0.000 0.268 2117 T C 2.026 176.793 174.700 0.112 0.000 1.044 2117 T CA 1.280 63.452 62.100 0.120 0.000 1.139 2117 T CB -0.701 68.223 68.868 0.092 0.000 0.867 2117 T HN 0.237 nan 8.240 nan 0.000 0.454 2118 G N 0.241 109.119 108.800 0.130 0.000 2.404 2118 G HA2 -0.088 3.872 3.960 0.001 0.000 0.215 2118 G HA3 -0.088 3.872 3.960 0.001 0.000 0.215 2118 G C 1.274 176.174 174.900 0.001 0.000 1.174 2118 G CA 0.626 45.785 45.100 0.097 0.000 0.780 2118 G HN 0.497 nan 8.290 nan 0.000 0.537 2119 F N 1.595 121.517 119.950 -0.048 0.000 2.161 2119 F HA -0.032 4.495 4.527 0.001 0.000 0.300 2119 F C 2.591 178.289 175.800 -0.170 0.000 1.089 2119 F CA 1.702 59.568 58.000 -0.223 0.000 1.282 2119 F CB 0.150 39.155 39.000 0.009 0.000 1.010 2119 F HN -0.049 nan 8.300 nan 0.000 0.485 2120 K N 0.262 120.733 120.400 0.118 0.000 2.062 2120 K HA -0.034 4.287 4.320 0.001 0.000 0.205 2120 K C 2.201 178.875 176.600 0.122 0.000 1.051 2120 K CA 1.230 57.630 56.287 0.188 0.000 0.941 2120 K CB -0.709 31.900 32.500 0.182 0.000 0.719 2120 K HN 0.363 nan 8.250 nan 0.000 0.440 2121 L N 1.341 122.581 121.223 0.028 0.000 2.201 2121 L HA -0.146 4.195 4.340 0.001 0.000 0.212 2121 L C 2.230 179.101 176.870 0.000 0.000 1.105 2121 L CA 1.057 55.921 54.840 0.040 0.000 0.775 2121 L CB -0.458 41.631 42.059 0.050 0.000 0.913 2121 L HN 0.199 nan 8.230 nan 0.000 0.440 2122 K N -0.268 119.988 120.400 -0.240 0.000 2.360 2122 K HA -0.154 4.166 4.320 0.001 0.000 0.201 2122 K C 1.578 177.968 176.600 -0.350 0.000 1.046 2122 K CA 1.431 57.495 56.287 -0.372 0.000 0.945 2122 K CB -0.562 31.418 32.500 -0.867 0.000 0.750 2122 K HN 0.022 nan 8.250 nan 0.000 0.464 2123 F N 0.387 120.181 119.950 -0.261 0.000 2.494 2123 F HA 0.012 4.539 4.527 0.001 0.000 0.298 2123 F C 1.658 177.433 175.800 -0.042 0.000 1.106 2123 F CA 0.503 58.386 58.000 -0.196 0.000 1.452 2123 F CB -0.403 38.476 39.000 -0.202 0.000 1.085 2123 F HN 0.040 nan 8.300 nan 0.000 0.569 2124 F N 0.638 120.607 119.950 0.032 0.000 2.269 2124 F HA -0.152 4.376 4.527 0.001 0.000 0.301 2124 F C 2.255 178.077 175.800 0.038 0.000 1.082 2124 F CA 1.002 59.024 58.000 0.037 0.000 1.360 2124 F CB -0.198 38.821 39.000 0.032 0.000 1.041 2124 F HN -0.074 nan 8.300 nan 0.000 0.512 2125 A N -0.224 122.650 122.820 0.090 0.000 2.225 2125 A HA -0.161 4.159 4.320 0.001 0.000 0.215 2125 A C 1.161 178.786 177.584 0.068 0.000 1.164 2125 A CA 1.232 53.307 52.037 0.064 0.000 0.710 2125 A CB -0.877 18.182 19.000 0.099 0.000 0.780 2125 A HN 0.555 nan 8.150 nan 0.000 0.473 2126 D N -3.509 116.893 120.400 0.003 0.000 2.811 2126 D HA -0.191 4.449 4.640 0.001 0.000 0.231 2126 D C 0.959 177.292 176.300 0.055 0.000 1.157 2126 D CA 2.080 56.097 54.000 0.028 0.000 0.716 2126 D CB -1.426 39.369 40.800 -0.008 0.000 1.077 2126 D HN 1.311 nan 8.370 nan 0.000 0.428 2127 G N -1.833 106.970 108.800 0.006 0.000 2.284 2127 G HA2 -0.335 3.625 3.960 0.001 0.000 0.201 2127 G HA3 -0.335 3.625 3.960 0.001 0.000 0.201 2127 G C 0.660 175.435 174.900 -0.208 0.000 0.998 2127 G CA 0.092 45.115 45.100 -0.127 0.000 0.651 2127 G HN 0.372 nan 8.290 nan 0.000 0.489 2128 Y N 3.011 123.295 120.300 -0.028 0.000 2.466 2128 Y HA 0.279 4.829 4.550 0.001 0.000 0.272 2128 Y C 1.809 177.720 175.900 0.017 0.000 1.169 2128 Y CA 0.402 58.500 58.100 -0.003 0.000 1.285 2128 Y CB 0.211 38.670 38.460 -0.003 0.000 1.078 2128 Y HN 0.473 nan 8.280 nan 0.000 0.523 2129 Q N 1.868 121.733 119.800 0.108 0.000 2.386 2129 Q HA 0.112 4.452 4.340 0.001 0.000 0.282 2129 Q C -0.849 175.268 176.000 0.193 0.000 1.050 2129 Q CA 0.412 56.286 55.803 0.119 0.000 0.918 2129 Q CB 1.011 29.729 28.738 -0.032 0.000 1.266 2129 Q HN 0.351 nan 8.270 nan 0.000 0.423 2130 K N 1.077 121.624 120.400 0.246 0.000 2.443 2130 K HA 0.410 4.730 4.320 0.001 0.000 0.251 2130 K C -1.102 175.574 176.600 0.127 0.000 0.972 2130 K CA -0.769 55.622 56.287 0.174 0.000 0.833 2130 K CB 2.128 34.683 32.500 0.093 0.000 1.317 2130 K HN 0.666 nan 8.250 nan 0.000 0.441 2131 E N 1.696 121.833 120.200 -0.104 0.000 2.175 2131 E HA 0.403 4.754 4.350 0.001 0.000 0.278 2131 E C -1.282 175.171 176.600 -0.245 0.000 0.969 2131 E CA -0.845 55.298 56.400 -0.427 0.000 0.796 2131 E CB 1.388 30.740 29.700 -0.580 0.000 1.104 2131 E HN 0.418 nan 8.360 nan 0.000 0.395 2132 V N 0.655 120.420 119.914 -0.248 0.000 3.087 2132 V HA 0.547 4.667 4.120 0.001 0.000 0.306 2132 V C -0.951 175.073 176.094 -0.116 0.000 1.187 2132 V CA -1.008 61.214 62.300 -0.131 0.000 0.999 2132 V CB 1.839 33.626 31.823 -0.059 0.000 1.049 2132 V HN 0.778 nan 8.190 nan 0.000 0.431 2133 E N 1.679 121.838 120.200 -0.068 0.000 2.133 2133 E HA 0.684 5.034 4.350 0.001 0.000 0.274 2133 E C -1.565 175.034 176.600 -0.001 0.000 0.930 2133 E CA -0.684 55.691 56.400 -0.041 0.000 0.770 2133 E CB 2.029 31.700 29.700 -0.048 0.000 1.104 2133 E HN 0.743 nan 8.360 nan 0.000 0.403 2134 V N 4.120 124.058 119.914 0.039 0.000 2.378 2134 V HA 0.375 4.496 4.120 0.001 0.000 0.288 2134 V C 0.888 176.966 176.094 -0.026 0.000 1.016 2134 V CA -0.057 62.272 62.300 0.050 0.000 0.840 2134 V CB 1.215 33.158 31.823 0.200 0.000 0.994 2134 V HN 1.013 nan 8.190 nan 0.000 0.431 2135 G N 3.813 112.582 108.800 -0.052 0.000 2.379 2135 G HA2 0.004 3.965 3.960 0.001 0.000 0.297 2135 G HA3 0.004 3.965 3.960 0.001 0.000 0.297 2135 G C 1.227 176.089 174.900 -0.063 0.000 1.004 2135 G CA 1.016 46.069 45.100 -0.078 0.000 0.921 2135 G HN 2.216 nan 8.290 nan 0.000 0.511 2136 G N -1.825 106.953 108.800 -0.036 0.000 2.241 2136 G HA2 -0.245 3.715 3.960 0.001 0.000 0.244 2136 G HA3 -0.245 3.715 3.960 0.001 0.000 0.244 2136 G C 0.613 175.506 174.900 -0.010 0.000 0.998 2136 G CA 0.640 45.725 45.100 -0.026 0.000 0.621 2136 G HN 0.935 nan 8.290 nan 0.000 0.519 2137 R N 0.844 121.347 120.500 0.005 0.000 2.441 2137 R HA 0.470 4.810 4.340 0.001 0.000 0.284 2137 R C 0.292 176.616 176.300 0.040 0.000 1.070 2137 R CA -0.612 55.520 56.100 0.054 0.000 1.047 2137 R CB 0.915 31.304 30.300 0.148 0.000 1.016 2137 R HN 0.393 nan 8.270 nan 0.000 0.477 2138 K N 2.368 122.775 120.400 0.013 0.000 2.276 2138 K HA 0.241 4.562 4.320 0.001 0.000 0.285 2138 K C -0.750 175.802 176.600 -0.082 0.000 1.062 2138 K CA -0.216 56.033 56.287 -0.064 0.000 0.918 2138 K CB 0.398 32.853 32.500 -0.075 0.000 1.055 2138 K HN 0.576 nan 8.250 nan 0.000 0.477 2139 C N 3.145 122.342 119.300 -0.171 0.000 3.119 2139 C HA 0.586 5.046 4.460 0.001 0.000 0.359 2139 C C -1.314 173.438 174.990 -0.397 0.000 1.486 2139 C CA -1.003 57.914 59.018 -0.168 0.000 1.556 2139 C CB 0.605 28.316 27.740 -0.049 0.000 2.063 2139 C HN 0.935 nan 8.230 nan 0.000 0.454 2140 W N 0.069 121.306 121.300 -0.106 0.000 2.915 2140 W HA 0.622 5.282 4.660 0.000 0.000 0.337 2140 W C -0.425 176.005 176.519 -0.148 0.000 1.102 2140 W CA -0.278 56.999 57.345 -0.113 0.000 1.224 2140 W CB 1.388 30.768 29.460 -0.133 0.000 1.416 2140 W HN 0.841 nan 8.180 nan 0.000 0.503 2141 A N 2.254 125.170 122.820 0.160 0.000 2.258 2141 A HA 0.723 5.043 4.320 0.001 0.000 0.316 2141 A C -1.182 176.481 177.584 0.131 0.000 1.279 2141 A CA -0.637 51.450 52.037 0.083 0.000 0.876 2141 A CB 0.593 19.634 19.000 0.069 0.000 1.170 2141 A HN 0.454 nan 8.150 nan 0.000 0.520 2142 V N 5.436 125.430 119.914 0.133 0.000 2.294 2142 V HA 0.249 4.369 4.120 0.001 0.000 0.272 2142 V C -2.387 173.831 176.094 0.206 0.000 1.027 2142 V CA -1.626 60.791 62.300 0.194 0.000 0.823 2142 V CB 1.008 32.999 31.823 0.281 0.000 1.030 2142 V HN 0.720 nan 8.190 nan 0.000 0.457 2143 P HA 0.247 nan 4.420 nan 0.000 0.263 2143 P C -0.212 177.141 177.300 0.088 0.000 1.195 2143 P CA 0.419 63.574 63.100 0.093 0.000 0.762 2143 P CB 0.426 32.153 31.700 0.044 0.000 0.799 2144 M N 0.680 120.324 119.600 0.073 0.000 3.385 2144 M HA 0.432 4.912 4.480 0.001 0.000 0.286 2144 M C 0.670 176.980 176.300 0.017 0.000 1.381 2144 M CA -0.880 54.462 55.300 0.071 0.000 0.813 2144 M CB 0.797 33.480 32.600 0.140 0.000 1.731 2144 M HN -0.070 nan 8.290 nan 0.000 0.460 2145 M N 0.672 120.277 119.600 0.008 0.000 2.073 2145 M HA -0.201 4.279 4.480 0.001 0.000 0.258 2145 M C 1.914 178.198 176.300 -0.027 0.000 1.070 2145 M CA 2.923 58.212 55.300 -0.018 0.000 1.103 2145 M CB -0.797 31.788 32.600 -0.025 0.000 1.321 2145 M HN 0.871 nan 8.290 nan 0.000 0.405 2146 E N -0.305 119.871 120.200 -0.040 0.000 2.347 2146 E HA 0.170 4.520 4.350 0.001 0.000 0.196 2146 E C 1.122 177.712 176.600 -0.015 0.000 1.008 2146 E CA 0.725 57.095 56.400 -0.051 0.000 0.852 2146 E CB 0.175 29.813 29.700 -0.102 0.000 0.783 2146 E HN 0.540 nan 8.360 nan 0.000 0.505 2147 G N 0.423 109.228 108.800 0.008 0.000 2.384 2147 G HA2 -0.082 3.879 3.960 0.001 0.000 0.113 2147 G HA3 -0.082 3.879 3.960 0.001 0.000 0.113 2147 G C -1.708 173.230 174.900 0.063 0.000 1.224 2147 G CA -0.243 44.876 45.100 0.032 0.000 1.126 2147 G HN 0.121 nan 8.290 nan 0.000 0.461 2148 D N 0.907 121.357 120.400 0.085 0.000 2.303 2148 D HA 0.532 5.173 4.640 0.001 0.000 0.236 2148 D C -1.093 175.311 176.300 0.173 0.000 1.068 2148 D CA -0.140 53.929 54.000 0.115 0.000 0.830 2148 D CB 1.948 42.800 40.800 0.086 0.000 1.109 2148 D HN 0.229 nan 8.370 nan 0.000 0.496 2149 F N 3.243 123.201 119.950 0.012 0.000 2.420 2149 F HA 0.387 4.914 4.527 0.001 0.000 0.352 2149 F C -0.495 175.299 175.800 -0.009 0.000 1.108 2149 F CA -0.894 57.096 58.000 -0.016 0.000 1.162 2149 F CB 0.422 39.400 39.000 -0.037 0.000 1.118 2149 F HN 0.213 nan 8.300 nan 0.000 0.510 2150 I N 8.453 128.785 120.570 -0.395 0.000 2.339 2150 I HA 0.362 4.532 4.170 0.001 0.000 0.290 2150 I C -0.542 175.042 176.117 -0.889 0.000 0.994 2150 I CA -0.728 60.277 61.300 -0.492 0.000 1.191 2150 I CB 1.188 39.070 38.000 -0.197 0.000 1.343 2150 I HN 0.573 nan 8.210 nan 0.000 0.458 2151 I N 2.800 122.953 120.570 -0.695 0.000 2.534 2151 I HA 0.519 4.689 4.170 0.001 0.000 0.288 2151 I C -0.415 175.573 176.117 -0.216 0.000 1.077 2151 I CA -0.730 60.220 61.300 -0.583 0.000 1.051 2151 I CB 1.924 39.588 38.000 -0.559 0.000 1.234 2151 I HN 0.536 nan 8.210 nan 0.000 0.425 2152 E N 4.160 124.246 120.200 -0.189 0.000 2.415 2152 E HA -0.031 4.319 4.350 0.001 0.000 0.262 2152 E C 0.629 177.313 176.600 0.140 0.000 1.038 2152 E CA 0.182 56.606 56.400 0.039 0.000 0.921 2152 E CB 0.949 30.731 29.700 0.137 0.000 0.950 2152 E HN 0.802 nan 8.360 nan 0.000 0.438 2153 N N 2.293 121.125 118.700 0.219 0.000 2.104 2153 N HA -0.128 4.612 4.740 0.001 0.000 0.190 2153 N C -0.465 175.186 175.510 0.235 0.000 1.024 2153 N CA 1.550 54.803 53.050 0.338 0.000 0.853 2153 N CB 0.334 39.030 38.487 0.348 0.000 1.008 2153 N HN 0.402 nan 8.380 nan 0.000 0.424 2154 D N -1.116 119.385 120.400 0.168 0.000 2.493 2154 D HA 0.396 5.036 4.640 0.001 0.000 0.239 2154 D C -0.631 175.748 176.300 0.132 0.000 1.049 2154 D CA -0.448 53.637 54.000 0.142 0.000 1.008 2154 D CB 2.015 42.884 40.800 0.115 0.000 1.398 2154 D HN -0.040 nan 8.370 nan 0.000 0.513 2155 I N 0.557 121.208 120.570 0.135 0.000 2.534 2155 I HA 0.320 4.491 4.170 0.001 0.000 0.288 2155 I C 0.383 176.591 176.117 0.152 0.000 1.077 2155 I CA -0.694 60.691 61.300 0.142 0.000 1.051 2155 I CB 2.216 40.302 38.000 0.143 0.000 1.234 2155 I HN 0.279 nan 8.210 nan 0.000 0.425 2156 G N 4.942 113.810 108.800 0.113 0.000 2.444 2156 G HA2 0.497 4.457 3.960 0.001 0.000 0.268 2156 G HA3 0.497 4.457 3.960 0.001 0.000 0.268 2156 G C -1.247 173.725 174.900 0.121 0.000 1.203 2156 G CA -0.034 45.095 45.100 0.049 0.000 0.835 2156 G HN 0.614 nan 8.290 nan 0.000 0.543 2157 Y N -1.286 119.039 120.300 0.041 0.000 2.638 2157 Y HA 0.853 5.403 4.550 0.000 0.000 0.339 2157 Y C -0.223 175.696 175.900 0.032 0.000 1.084 2157 Y CA -1.314 56.809 58.100 0.038 0.000 1.068 2157 Y CB 1.716 40.199 38.460 0.038 0.000 1.294 2157 Y HN 0.700 nan 8.280 nan 0.000 0.480 2158 T N 0.329 115.028 114.554 0.242 0.000 2.816 2158 T HA 0.380 4.731 4.350 0.001 0.000 0.299 2158 T C -1.714 173.094 174.700 0.179 0.000 1.230 2158 T CA -1.042 61.136 62.100 0.130 0.000 1.007 2158 T CB 1.051 69.948 68.868 0.049 0.000 1.289 2158 T HN 0.717 nan 8.240 nan 0.000 0.508 2159 N N 1.786 120.559 118.700 0.122 0.000 2.415 2159 N HA 0.376 5.117 4.740 0.001 0.000 0.250 2159 N C 0.320 175.869 175.510 0.065 0.000 1.127 2159 N CA 0.028 53.142 53.050 0.108 0.000 0.945 2159 N CB 1.075 39.623 38.487 0.101 0.000 1.196 2159 N HN 0.741 nan 8.380 nan 0.000 0.499 2160 G N 0.882 109.712 108.800 0.051 0.000 2.671 2160 G HA2 0.717 4.677 3.960 0.001 0.000 0.275 2160 G HA3 0.717 4.677 3.960 0.001 0.000 0.275 2160 G C -0.283 174.577 174.900 -0.066 0.000 1.368 2160 G CA -0.486 44.615 45.100 0.002 0.000 1.044 2160 G HN 0.424 nan 8.290 nan 0.000 0.543 2161 I N 0.238 120.748 120.570 -0.100 0.000 2.509 2161 I HA 0.591 4.762 4.170 0.001 0.000 0.293 2161 I C 0.021 176.123 176.117 -0.025 0.000 1.020 2161 I CA -0.781 60.417 61.300 -0.170 0.000 1.088 2161 I CB 2.250 40.070 38.000 -0.300 0.000 1.267 2161 I HN 0.557 nan 8.210 nan 0.000 0.430 2162 A N 3.555 126.403 122.820 0.046 0.000 2.365 2162 A HA 0.807 5.127 4.320 0.001 0.000 0.318 2162 A C 0.486 178.189 177.584 0.200 0.000 1.091 2162 A CA 0.072 52.175 52.037 0.110 0.000 0.763 2162 A CB 1.472 20.532 19.000 0.101 0.000 1.248 2162 A HN 1.182 nan 8.150 nan 0.000 0.442 2163 G N 0.711 109.628 108.800 0.195 0.000 2.163 2163 G HA2 0.106 4.066 3.960 0.001 0.000 0.213 2163 G HA3 0.106 4.066 3.960 0.001 0.000 0.213 2163 G C 0.805 175.827 174.900 0.202 0.000 0.991 2163 G CA 0.260 45.514 45.100 0.257 0.000 0.653 2163 G HN 1.925 nan 8.290 nan 0.000 0.518 2164 G N 0.188 109.074 108.800 0.144 0.000 2.491 2164 G HA2 0.593 4.554 3.960 0.001 0.000 0.238 2164 G HA3 0.593 4.554 3.960 0.001 0.000 0.238 2164 G C 0.024 174.999 174.900 0.125 0.000 1.277 2164 G CA 0.832 46.008 45.100 0.128 0.000 0.851 2164 G HN 1.751 nan 8.290 nan 0.000 0.573 2165 N N -1.067 117.714 118.700 0.135 0.000 3.261 2165 N HA 0.685 5.426 4.740 0.001 0.000 0.248 2165 N C -1.086 174.544 175.510 0.199 0.000 1.498 2165 N CA -0.988 52.125 53.050 0.105 0.000 0.884 2165 N CB 1.223 39.762 38.487 0.087 0.000 1.428 2165 N HN 0.948 nan 8.380 nan 0.000 0.517 2166 F N -2.425 117.591 119.950 0.109 0.000 2.708 2166 F HA 0.633 5.160 4.527 0.000 0.000 0.309 2166 F C -2.078 173.923 175.800 0.335 0.000 1.120 2166 F CA -1.478 56.571 58.000 0.080 0.000 0.978 2166 F CB 0.907 39.952 39.000 0.075 0.000 1.283 2166 F HN 0.396 nan 8.300 nan 0.000 0.439 2167 F N 2.951 122.988 119.950 0.146 0.000 2.422 2167 F HA 0.700 5.228 4.527 0.001 0.000 0.333 2167 F C -0.063 175.860 175.800 0.207 0.000 1.095 2167 F CA -1.233 56.796 58.000 0.047 0.000 1.038 2167 F CB 2.008 40.995 39.000 -0.022 0.000 1.156 2167 F HN 0.321 nan 8.300 nan 0.000 0.483 2168 I N 3.840 124.610 120.570 0.332 0.000 2.389 2168 I HA 0.342 4.512 4.170 0.001 0.000 0.288 2168 I C -0.570 175.670 176.117 0.205 0.000 0.999 2168 I CA -0.431 61.043 61.300 0.289 0.000 1.129 2168 I CB 1.814 39.983 38.000 0.281 0.000 1.288 2168 I HN 0.481 nan 8.210 nan 0.000 0.444 2169 M N 5.589 125.296 119.600 0.177 0.000 2.311 2169 M HA 0.763 5.243 4.480 0.001 0.000 0.325 2169 M C -0.448 175.912 176.300 0.100 0.000 1.061 2169 M CA -0.385 54.991 55.300 0.127 0.000 0.957 2169 M CB 2.251 34.927 32.600 0.127 0.000 1.646 2169 M HN 0.713 nan 8.290 nan 0.000 0.434 2170 A N 2.284 125.153 122.820 0.081 0.000 2.564 2170 A HA 0.553 4.873 4.320 0.001 0.000 0.288 2170 A C 0.109 177.721 177.584 0.047 0.000 1.164 2170 A CA -0.600 51.478 52.037 0.068 0.000 0.712 2170 A CB 1.249 20.301 19.000 0.087 0.000 1.303 2170 A HN 0.884 nan 8.150 nan 0.000 0.418 2171 E N -0.428 119.796 120.200 0.039 0.000 2.152 2171 E HA 0.018 4.368 4.350 0.001 0.000 0.192 2171 E C 0.553 177.169 176.600 0.028 0.000 0.983 2171 E CA 1.525 57.942 56.400 0.027 0.000 0.818 2171 E CB 0.009 29.723 29.700 0.023 0.000 0.758 2171 E HN 0.781 nan 8.360 nan 0.000 0.467 2172 T N -3.648 110.929 114.554 0.039 0.000 2.883 2172 T HA 0.177 4.528 4.350 0.001 0.000 0.296 2172 T C 0.565 175.306 174.700 0.068 0.000 1.117 2172 T CA -0.883 61.242 62.100 0.042 0.000 1.006 2172 T CB 2.113 71.003 68.868 0.037 0.000 1.191 2172 T HN -0.133 nan 8.240 nan 0.000 0.508 2173 Q N 0.288 120.132 119.800 0.074 0.000 2.050 2173 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 2173 Q C -0.889 175.211 176.000 0.167 0.000 0.980 2173 Q CA 1.759 57.644 55.803 0.135 0.000 0.840 2173 Q CB -1.243 27.563 28.738 0.113 0.000 0.898 2173 Q HN 0.573 nan 8.270 nan 0.000 0.424 2174 P HA -0.128 nan 4.420 nan 0.000 0.216 2174 P C 1.122 178.455 177.300 0.055 0.000 1.153 2174 P CA 1.583 64.721 63.100 0.062 0.000 0.858 2174 P CB -0.011 31.713 31.700 0.041 0.000 0.789 2175 S N -0.817 114.922 115.700 0.065 0.000 2.368 2175 S HA -0.121 4.350 4.470 0.001 0.000 0.224 2175 S C 2.026 176.675 174.600 0.083 0.000 1.029 2175 S CA 1.344 59.580 58.200 0.060 0.000 0.988 2175 S CB -0.988 62.246 63.200 0.056 0.000 0.838 2175 S HN 0.139 nan 8.310 nan 0.000 0.462 2176 A N 1.133 124.037 122.820 0.141 0.000 1.898 2176 A HA -0.001 4.319 4.320 0.001 0.000 0.216 2176 A C 2.090 179.754 177.584 0.133 0.000 1.181 2176 A CA 1.187 53.360 52.037 0.226 0.000 0.620 2176 A CB -0.649 18.570 19.000 0.365 0.000 0.819 2176 A HN 0.418 nan 8.150 nan 0.000 0.442 2177 L N -0.280 120.935 121.223 -0.014 0.000 2.093 2177 L HA -0.005 4.335 4.340 0.001 0.000 0.208 2177 L C 2.624 179.373 176.870 -0.200 0.000 1.085 2177 L CA 2.070 56.665 54.840 -0.408 0.000 0.755 2177 L CB -0.741 41.119 42.059 -0.331 0.000 0.904 2177 L HN 0.331 nan 8.230 nan 0.000 0.435 2178 A N -0.634 122.143 122.820 -0.072 0.000 1.930 2178 A HA -0.031 4.289 4.320 0.001 0.000 0.217 2178 A C 2.435 180.013 177.584 -0.011 0.000 1.175 2178 A CA 1.523 53.538 52.037 -0.036 0.000 0.627 2178 A CB -1.041 17.955 19.000 -0.007 0.000 0.815 2178 A HN 0.534 nan 8.150 nan 0.000 0.443 2179 A N -0.116 122.714 122.820 0.017 0.000 1.933 2179 A HA 0.178 4.499 4.320 0.001 0.000 0.218 2179 A C 2.459 180.084 177.584 0.070 0.000 1.175 2179 A CA 1.971 54.044 52.037 0.060 0.000 0.628 2179 A CB -0.877 18.181 19.000 0.097 0.000 0.814 2179 A HN 0.994 nan 8.150 nan 0.000 0.444 2180 A N -0.246 122.580 122.820 0.010 0.000 1.930 2180 A HA -0.108 4.213 4.320 0.001 0.000 0.217 2180 A C 2.102 179.672 177.584 -0.023 0.000 1.175 2180 A CA 1.904 53.930 52.037 -0.018 0.000 0.627 2180 A CB -0.389 18.512 19.000 -0.165 0.000 0.815 2180 A HN 0.555 nan 8.150 nan 0.000 0.443 2181 K N -0.161 120.207 120.400 -0.054 0.000 2.057 2181 K HA -0.029 4.291 4.320 0.001 0.000 0.206 2181 K C 2.124 178.733 176.600 0.015 0.000 1.050 2181 K CA 1.193 57.463 56.287 -0.028 0.000 0.935 2181 K CB -0.351 32.124 32.500 -0.042 0.000 0.715 2181 K HN 0.324 nan 8.250 nan 0.000 0.439 2182 A N 1.205 124.042 122.820 0.027 0.000 1.883 2182 A HA -0.172 4.148 4.320 0.001 0.000 0.217 2182 A C 2.387 180.017 177.584 0.076 0.000 1.186 2182 A CA 2.104 54.169 52.037 0.046 0.000 0.624 2182 A CB -1.104 17.924 19.000 0.047 0.000 0.822 2182 A HN 0.500 nan 8.150 nan 0.000 0.444 2183 A N -0.677 122.214 122.820 0.118 0.000 1.883 2183 A HA -0.065 4.255 4.320 0.001 0.000 0.217 2183 A C 2.259 179.932 177.584 0.148 0.000 1.186 2183 A CA 2.023 54.173 52.037 0.189 0.000 0.624 2183 A CB -1.050 18.161 19.000 0.351 0.000 0.822 2183 A HN 0.458 nan 8.150 nan 0.000 0.444 2184 V N 0.385 120.359 119.914 0.100 0.000 2.343 2184 V HA -0.244 3.876 4.120 0.001 0.000 0.247 2184 V C 2.201 178.340 176.094 0.076 0.000 1.051 2184 V CA 2.380 64.729 62.300 0.081 0.000 1.036 2184 V CB -0.897 30.957 31.823 0.052 0.000 0.654 2184 V HN 0.500 nan 8.190 nan 0.000 0.451 2185 D N 0.412 120.849 120.400 0.061 0.000 2.097 2185 D HA -0.117 4.524 4.640 0.001 0.000 0.195 2185 D C 2.227 178.563 176.300 0.059 0.000 0.989 2185 D CA 1.649 55.680 54.000 0.051 0.000 0.827 2185 D CB -0.415 40.406 40.800 0.035 0.000 0.966 2185 D HN 0.409 nan 8.370 nan 0.000 0.456 2186 A N 0.539 123.399 122.820 0.067 0.000 1.883 2186 A HA -0.155 4.165 4.320 0.001 0.000 0.217 2186 A C 2.322 179.951 177.584 0.076 0.000 1.186 2186 A CA 1.079 53.157 52.037 0.067 0.000 0.624 2186 A CB -0.807 18.237 19.000 0.074 0.000 0.822 2186 A HN 0.240 nan 8.150 nan 0.000 0.444 2187 I N 0.949 121.577 120.570 0.096 0.000 2.454 2187 I HA -0.230 3.940 4.170 0.001 0.000 0.254 2187 I C 2.715 178.885 176.117 0.089 0.000 1.156 2187 I CA 1.343 62.704 61.300 0.101 0.000 1.433 2187 I CB -0.302 37.774 38.000 0.127 0.000 1.082 2187 I HN 0.525 nan 8.210 nan 0.000 0.432 2188 S N 0.128 115.880 115.700 0.087 0.000 2.440 2188 S HA -0.212 4.259 4.470 0.001 0.000 0.238 2188 S C 1.442 176.094 174.600 0.087 0.000 1.010 2188 S CA 1.388 59.643 58.200 0.093 0.000 0.972 2188 S CB -0.374 62.880 63.200 0.089 0.000 0.774 2188 S HN 0.431 nan 8.310 nan 0.000 0.501 2189 D N 0.955 121.396 120.400 0.069 0.000 2.348 2189 D HA 0.155 4.796 4.640 0.001 0.000 0.211 2189 D C 0.063 176.396 176.300 0.055 0.000 0.998 2189 D CA 0.200 54.235 54.000 0.057 0.000 0.873 2189 D CB 0.172 40.998 40.800 0.043 0.000 0.925 2189 D HN 0.296 nan 8.370 nan 0.000 0.524 2190 V N 2.887 122.837 119.914 0.059 0.000 2.479 2190 V HA 0.001 4.121 4.120 0.001 0.000 0.281 2190 V C 0.578 176.702 176.094 0.049 0.000 1.031 2190 V CA -0.490 61.840 62.300 0.050 0.000 1.038 2190 V CB 0.543 32.398 31.823 0.054 0.000 0.981 2190 V HN 0.126 nan 8.190 nan 0.000 0.478 2191 E N 4.272 124.492 120.200 0.033 0.000 2.390 2191 E HA 0.455 4.805 4.350 0.001 0.000 0.261 2191 E C 1.033 177.640 176.600 0.012 0.000 1.076 2191 E CA 0.271 56.683 56.400 0.020 0.000 0.905 2191 E CB 0.726 30.425 29.700 -0.002 0.000 0.984 2191 E HN 1.009 nan 8.360 nan 0.000 0.427 2192 G N 0.582 109.382 108.800 0.000 0.000 2.153 2192 G HA2 -0.199 3.762 3.960 0.001 0.000 0.252 2192 G HA3 -0.199 3.762 3.960 0.001 0.000 0.252 2192 G C -0.163 174.753 174.900 0.028 0.000 0.994 2192 G CA 0.262 45.363 45.100 0.002 0.000 0.698 2192 G HN 0.595 nan 8.290 nan 0.000 0.521 2193 V N 0.648 120.591 119.914 0.048 0.000 3.114 2193 V HA 0.862 4.982 4.120 0.001 0.000 0.308 2193 V C 0.165 176.307 176.094 0.080 0.000 1.168 2193 V CA -0.363 61.974 62.300 0.062 0.000 1.015 2193 V CB 2.378 34.239 31.823 0.064 0.000 1.050 2193 V HN 0.906 nan 8.190 nan 0.000 0.433 2194 I N -0.273 120.347 120.570 0.083 0.000 3.006 2194 I HA 0.844 5.014 4.170 0.001 0.000 0.306 2194 I C -0.574 175.601 176.117 0.097 0.000 1.250 2194 I CA -0.618 60.736 61.300 0.091 0.000 0.996 2194 I CB 2.799 40.849 38.000 0.084 0.000 1.261 2194 I HN 0.640 nan 8.210 nan 0.000 0.442 2195 T N 0.116 114.731 114.554 0.102 0.000 3.064 2195 T HA 0.452 4.802 4.350 0.001 0.000 0.367 2195 T C -1.804 172.974 174.700 0.130 0.000 1.202 2195 T CA -1.522 60.648 62.100 0.117 0.000 1.133 2195 T CB 0.892 69.822 68.868 0.102 0.000 1.074 2195 T HN 0.621 nan 8.240 nan 0.000 0.519 2196 P HA -0.007 nan 4.420 nan 0.000 0.222 2196 P C 0.305 177.641 177.300 0.060 0.000 1.147 2196 P CA 0.176 63.329 63.100 0.088 0.000 0.790 2196 P CB 0.046 31.780 31.700 0.057 0.000 0.780 2197 F N 1.304 121.267 119.950 0.021 0.000 2.399 2197 F HA 0.288 4.816 4.527 0.001 0.000 0.313 2197 F C -1.511 174.304 175.800 0.025 0.000 1.202 2197 F CA -2.313 55.700 58.000 0.022 0.000 1.192 2197 F CB -1.041 37.968 39.000 0.014 0.000 1.256 2197 F HN -0.281 nan 8.300 nan 0.000 0.558 2198 P HA 0.095 nan 4.420 nan 0.000 0.258 2198 P C 0.377 177.742 177.300 0.108 0.000 1.187 2198 P CA 1.283 64.448 63.100 0.108 0.000 0.767 2198 P CB 0.014 31.775 31.700 0.102 0.000 0.770 2199 G N 3.589 112.439 108.800 0.083 0.000 2.175 2199 G HA2 -0.204 3.756 3.960 0.001 0.000 0.265 2199 G HA3 -0.204 3.756 3.960 0.001 0.000 0.265 2199 G C 0.944 175.886 174.900 0.071 0.000 0.979 2199 G CA 0.507 45.647 45.100 0.067 0.000 0.663 2199 G HN 1.020 nan 8.290 nan 0.000 0.533 2200 G N -1.482 107.382 108.800 0.107 0.000 2.162 2200 G HA2 -0.230 3.730 3.960 0.001 0.000 0.260 2200 G HA3 -0.230 3.730 3.960 0.001 0.000 0.260 2200 G C 0.250 175.206 174.900 0.093 0.000 0.976 2200 G CA 0.653 45.823 45.100 0.116 0.000 0.655 2200 G HN 1.415 nan 8.290 nan 0.000 0.533 2201 I N 0.450 121.075 120.570 0.091 0.000 2.474 2201 I HA 0.503 4.674 4.170 0.001 0.000 0.294 2201 I C 0.195 176.343 176.117 0.052 0.000 1.005 2201 I CA -1.314 59.997 61.300 0.019 0.000 1.113 2201 I CB 2.262 40.229 38.000 -0.055 0.000 1.289 2201 I HN -0.134 nan 8.210 nan 0.000 0.436 2202 V N 5.379 125.219 119.914 -0.122 0.000 2.364 2202 V HA 0.337 4.458 4.120 0.001 0.000 0.272 2202 V C 0.856 176.928 176.094 -0.036 0.000 1.036 2202 V CA -0.107 62.024 62.300 -0.283 0.000 0.880 2202 V CB 1.189 32.572 31.823 -0.734 0.000 0.991 2202 V HN 0.972 nan 8.190 nan 0.000 0.460 2203 A N 3.354 126.206 122.820 0.054 0.000 2.303 2203 A HA 0.140 4.461 4.320 0.001 0.000 0.217 2203 A C 1.918 179.436 177.584 -0.110 0.000 1.205 2203 A CA 0.837 52.901 52.037 0.045 0.000 0.875 2203 A CB 0.130 19.244 19.000 0.190 0.000 0.910 2203 A HN 0.817 nan 8.150 nan 0.000 0.501 2204 S N -1.045 114.599 115.700 -0.093 0.000 2.431 2204 S HA 0.506 4.977 4.470 0.001 0.000 0.210 2204 S C 1.195 175.698 174.600 -0.163 0.000 1.013 2204 S CA 0.712 58.857 58.200 -0.091 0.000 0.920 2204 S CB -0.885 62.315 63.200 0.000 0.000 0.882 2204 S HN 1.993 nan 8.310 nan 0.000 0.567 2205 G N 0.221 108.900 108.800 -0.201 0.000 2.712 2205 G HA2 0.253 4.213 3.960 0.001 0.000 0.686 2205 G HA3 0.253 4.213 3.960 0.001 0.000 0.686 2205 G C -0.530 174.300 174.900 -0.116 0.000 1.321 2205 G CA -0.210 44.738 45.100 -0.254 0.000 0.813 2205 G HN 1.377 nan 8.290 nan 0.000 0.599 2206 S N -0.780 114.871 115.700 -0.082 0.000 2.587 2206 S HA 0.794 5.264 4.470 0.001 0.000 0.269 2206 S C -0.756 173.871 174.600 0.045 0.000 1.154 2206 S CA 0.269 58.470 58.200 0.003 0.000 0.824 2206 S CB 1.432 64.657 63.200 0.042 0.000 1.118 2206 S HN 1.565 nan 8.310 nan 0.000 0.462 2207 K N 1.331 121.774 120.400 0.071 0.000 2.375 2207 K HA 0.763 5.084 4.320 0.001 0.000 0.249 2207 K C -1.070 175.603 176.600 0.123 0.000 0.942 2207 K CA -0.938 55.416 56.287 0.112 0.000 0.806 2207 K CB 1.544 34.092 32.500 0.079 0.000 1.227 2207 K HN 0.328 nan 8.250 nan 0.000 0.430 2208 V N 2.552 122.572 119.914 0.176 0.000 2.655 2208 V HA 0.283 4.403 4.120 0.001 0.000 0.300 2208 V C 1.102 177.233 176.094 0.062 0.000 1.044 2208 V CA 1.251 63.614 62.300 0.106 0.000 1.095 2208 V CB -0.233 31.651 31.823 0.102 0.000 0.952 2208 V HN 1.102 nan 8.190 nan 0.000 0.485 2209 G N 3.411 112.230 108.800 0.031 0.000 2.645 2209 G HA2 0.253 4.213 3.960 0.001 0.000 0.246 2209 G HA3 0.253 4.213 3.960 0.001 0.000 0.246 2209 G C -0.163 174.732 174.900 -0.007 0.000 1.322 2209 G CA 0.090 45.195 45.100 0.009 0.000 0.898 2209 G HN 2.003 nan 8.290 nan 0.000 0.573 2210 A N -1.549 121.249 122.820 -0.037 0.000 2.594 2210 A HA 0.795 5.116 4.320 0.001 0.000 0.291 2210 A C 0.596 178.128 177.584 -0.086 0.000 1.105 2210 A CA 0.417 52.411 52.037 -0.071 0.000 0.694 2210 A CB 1.248 20.182 19.000 -0.111 0.000 1.291 2210 A HN 0.794 nan 8.150 nan 0.000 0.410 2211 N N -0.117 118.514 118.700 -0.114 0.000 2.402 2211 N HA 0.033 4.774 4.740 0.001 0.000 0.174 2211 N C 1.077 176.497 175.510 -0.150 0.000 1.027 2211 N CA 1.082 54.067 53.050 -0.108 0.000 0.891 2211 N CB 0.284 38.714 38.487 -0.096 0.000 1.016 2211 N HN 0.646 nan 8.380 nan 0.000 0.439 2212 K N -0.319 119.921 120.400 -0.266 0.000 2.286 2212 K HA 0.163 4.484 4.320 0.001 0.000 0.203 2212 K C 0.009 176.466 176.600 -0.238 0.000 1.078 2212 K CA 0.207 56.297 56.287 -0.328 0.000 0.957 2212 K CB 0.366 32.495 32.500 -0.619 0.000 1.018 2212 K HN 0.114 nan 8.250 nan 0.000 0.484 2213 Y N 2.462 122.583 120.300 -0.299 0.000 2.821 2213 Y HA 0.182 4.732 4.550 0.001 0.000 0.331 2213 Y C 0.887 176.322 175.900 -0.776 0.000 1.251 2213 Y CA -0.883 56.771 58.100 -0.743 0.000 1.494 2213 Y CB 0.464 38.399 38.460 -0.875 0.000 1.493 2213 Y HN -0.124 nan 8.280 nan 0.000 0.496 2214 K N 1.151 121.376 120.400 -0.291 0.000 2.360 2214 K HA -0.169 4.151 4.320 0.001 0.000 0.201 2214 K C 1.106 177.647 176.600 -0.099 0.000 1.046 2214 K CA 1.122 57.328 56.287 -0.135 0.000 0.940 2214 K CB -0.314 32.182 32.500 -0.007 0.000 0.748 2214 K HN 0.693 nan 8.250 nan 0.000 0.465 2215 F N 0.207 120.208 119.950 0.085 0.000 2.802 2215 F HA 0.132 4.659 4.527 0.001 0.000 0.300 2215 F C 0.496 176.326 175.800 0.049 0.000 1.168 2215 F CA -0.308 57.722 58.000 0.051 0.000 1.433 2215 F CB -0.286 38.731 39.000 0.028 0.000 1.115 2215 F HN -0.254 nan 8.300 nan 0.000 0.582 2216 L N 1.457 122.624 121.223 -0.093 0.000 2.360 2216 L HA 0.336 4.676 4.340 0.001 0.000 0.271 2216 L C 1.190 178.068 176.870 0.014 0.000 1.057 2216 L CA -0.402 54.438 54.840 0.001 0.000 0.803 2216 L CB 1.693 43.720 42.059 -0.053 0.000 1.207 2216 L HN 0.092 nan 8.230 nan 0.000 0.445 2217 K N 1.069 121.489 120.400 0.033 0.000 2.323 2217 K HA 0.320 4.640 4.320 0.001 0.000 0.197 2217 K C 0.022 176.632 176.600 0.016 0.000 1.043 2217 K CA 0.352 56.652 56.287 0.020 0.000 0.997 2217 K CB 0.970 33.482 32.500 0.019 0.000 0.807 2217 K HN 0.638 nan 8.250 nan 0.000 0.497 2218 A N 0.905 123.739 122.820 0.024 0.000 2.594 2218 A HA 0.512 4.833 4.320 0.001 0.000 0.296 2218 A C -0.686 176.918 177.584 0.033 0.000 1.061 2218 A CA -0.590 51.466 52.037 0.032 0.000 0.689 2218 A CB 1.330 20.354 19.000 0.040 0.000 1.280 2218 A HN 0.100 nan 8.150 nan 0.000 0.406 2219 S N -0.108 115.610 115.700 0.030 0.000 2.806 2219 S HA 0.821 5.291 4.470 0.001 0.000 0.306 2219 S C 0.049 174.663 174.600 0.024 0.000 1.167 2219 S CA -0.110 58.106 58.200 0.026 0.000 0.847 2219 S CB 1.240 64.441 63.200 0.002 0.000 1.216 2219 S HN 1.572 nan 8.310 nan 0.000 0.532 2220 T N 0.966 115.530 114.554 0.017 0.000 2.940 2220 T HA 0.163 4.514 4.350 0.001 0.000 0.309 2220 T C 0.169 174.876 174.700 0.013 0.000 1.056 2220 T CA -0.018 62.087 62.100 0.008 0.000 1.137 2220 T CB -0.736 68.133 68.868 0.002 0.000 0.976 2220 T HN 0.653 nan 8.240 nan 0.000 0.547 2221 N N 3.239 121.952 118.700 0.021 0.000 2.807 2221 N HA 0.028 4.768 4.740 0.001 0.000 0.259 2221 N C 1.629 177.191 175.510 0.087 0.000 1.149 2221 N CA -0.612 52.478 53.050 0.067 0.000 1.042 2221 N CB 0.278 38.813 38.487 0.079 0.000 1.367 2221 N HN 0.670 nan 8.380 nan 0.000 0.516 2222 E N 2.768 122.991 120.200 0.038 0.000 2.273 2222 E HA -0.266 4.084 4.350 0.001 0.000 0.198 2222 E C 0.536 177.135 176.600 -0.002 0.000 1.002 2222 E CA 1.448 57.853 56.400 0.008 0.000 0.828 2222 E CB -0.055 29.633 29.700 -0.020 0.000 0.747 2222 E HN 0.571 nan 8.360 nan 0.000 0.491 2223 K N -0.636 119.779 120.400 0.026 0.000 2.439 2223 K HA 0.032 4.352 4.320 0.001 0.000 0.197 2223 K C 0.465 176.880 176.600 -0.308 0.000 1.041 2223 K CA 0.670 56.893 56.287 -0.106 0.000 0.970 2223 K CB -0.006 32.449 32.500 -0.074 0.000 0.773 2223 K HN 0.102 nan 8.250 nan 0.000 0.479 2224 F N -0.199 119.725 119.950 -0.043 0.000 2.764 2224 F HA 0.305 4.832 4.527 0.000 0.000 0.310 2224 F C 0.022 175.763 175.800 -0.099 0.000 1.124 2224 F CA -0.747 57.217 58.000 -0.060 0.000 1.252 2224 F CB 0.935 39.889 39.000 -0.076 0.000 1.010 2224 F HN -0.225 nan 8.300 nan 0.000 0.518 2225 A N 1.915 124.745 122.820 0.017 0.000 2.341 2225 A HA 0.440 4.760 4.320 0.001 0.000 0.326 2225 A C -1.438 176.119 177.584 -0.045 0.000 1.402 2225 A CA -1.306 50.717 52.037 -0.023 0.000 0.957 2225 A CB 0.163 19.149 19.000 -0.024 0.000 1.151 2225 A HN 0.025 nan 8.150 nan 0.000 0.533 2226 P HA -0.211 nan 4.420 nan 0.000 0.218 2226 P C 1.333 178.607 177.300 -0.043 0.000 1.148 2226 P CA 1.942 65.012 63.100 -0.049 0.000 0.822 2226 P CB 0.081 31.752 31.700 -0.048 0.000 0.784 2227 S N -0.293 115.382 115.700 -0.041 0.000 2.555 2227 S HA -0.020 4.451 4.470 0.001 0.000 0.230 2227 S C 1.645 176.227 174.600 -0.030 0.000 0.978 2227 S CA 0.454 58.634 58.200 -0.032 0.000 0.934 2227 S CB -1.260 61.922 63.200 -0.029 0.000 0.766 2227 S HN 0.412 nan 8.310 nan 0.000 0.533 2228 I N -1.779 118.770 120.570 -0.035 0.000 3.994 2228 I HA 0.381 4.551 4.170 0.001 0.000 0.323 2228 I C 1.580 177.671 176.117 -0.042 0.000 1.501 2228 I CA -0.758 60.522 61.300 -0.034 0.000 1.112 2228 I CB 0.172 38.153 38.000 -0.032 0.000 1.254 2228 I HN 0.086 nan 8.210 nan 0.000 0.495 2229 R N 0.443 120.914 120.500 -0.048 0.000 2.139 2229 R HA -0.163 4.178 4.340 0.001 0.000 0.243 2229 R C 0.755 177.024 176.300 -0.051 0.000 1.145 2229 R CA 2.093 58.157 56.100 -0.060 0.000 0.976 2229 R CB -0.736 29.526 30.300 -0.065 0.000 0.866 2229 R HN 0.273 nan 8.270 nan 0.000 0.449 2230 D N 0.565 120.941 120.400 -0.040 0.000 2.269 2230 D HA -0.087 4.553 4.640 0.001 0.000 0.208 2230 D C 1.667 177.947 176.300 -0.033 0.000 0.963 2230 D CA 0.886 54.865 54.000 -0.034 0.000 0.864 2230 D CB 0.063 40.847 40.800 -0.027 0.000 0.936 2230 D HN 0.384 nan 8.370 nan 0.000 0.505 2231 Q N -0.164 119.615 119.800 -0.034 0.000 2.384 2231 Q HA 0.116 4.456 4.340 0.001 0.000 0.207 2231 Q C 0.262 176.239 176.000 -0.038 0.000 0.904 2231 Q CA 0.156 55.940 55.803 -0.032 0.000 0.933 2231 Q CB 1.059 29.779 28.738 -0.030 0.000 1.077 2231 Q HN 0.108 nan 8.270 nan 0.000 0.522 2232 V N 2.154 122.041 119.914 -0.045 0.000 2.394 2232 V HA 0.191 4.311 4.120 0.001 0.000 0.282 2232 V C 0.083 176.145 176.094 -0.054 0.000 1.031 2232 V CA -0.759 61.511 62.300 -0.051 0.000 0.881 2232 V CB 1.777 33.564 31.823 -0.060 0.000 0.982 2232 V HN 0.117 nan 8.190 nan 0.000 0.451 2233 E N 3.364 123.536 120.200 -0.047 0.000 2.313 2233 E HA 0.469 4.820 4.350 0.001 0.000 0.276 2233 E C 1.023 177.591 176.600 -0.053 0.000 1.031 2233 E CA 0.573 56.946 56.400 -0.045 0.000 0.857 2233 E CB 0.963 30.643 29.700 -0.034 0.000 1.040 2233 E HN 1.022 nan 8.360 nan 0.000 0.408 2234 G N 3.307 112.072 108.800 -0.059 0.000 2.147 2234 G HA2 -0.284 3.676 3.960 0.001 0.000 0.244 2234 G HA3 -0.284 3.676 3.960 0.001 0.000 0.244 2234 G C 0.353 175.187 174.900 -0.110 0.000 1.005 2234 G CA 0.502 45.561 45.100 -0.069 0.000 0.713 2234 G HN 0.659 nan 8.290 nan 0.000 0.515 2235 T N -0.223 114.258 114.554 -0.122 0.000 2.940 2235 T HA 0.350 4.700 4.350 0.001 0.000 0.309 2235 T C 1.337 175.888 174.700 -0.248 0.000 1.056 2235 T CA 0.714 62.704 62.100 -0.183 0.000 1.137 2235 T CB 0.561 69.344 68.868 -0.143 0.000 0.976 2235 T HN 0.227 nan 8.240 nan 0.000 0.547 2236 Q N 2.994 122.529 119.800 -0.443 0.000 2.280 2236 Q HA 0.210 4.551 4.340 0.001 0.000 0.201 2236 Q C -0.135 175.644 176.000 -0.368 0.000 0.890 2236 Q CA -0.001 55.503 55.803 -0.498 0.000 0.947 2236 Q CB 0.315 28.464 28.738 -0.982 0.000 1.081 2236 Q HN 0.594 nan 8.270 nan 0.000 0.502 2237 I N 2.823 123.230 120.570 -0.272 0.000 2.312 2237 I HA 0.275 4.445 4.170 0.001 0.000 0.291 2237 I C -2.136 173.928 176.117 -0.089 0.000 1.031 2237 I CA -2.584 58.629 61.300 -0.145 0.000 1.293 2237 I CB 0.593 38.525 38.000 -0.114 0.000 1.403 2237 I HN -0.222 nan 8.210 nan 0.000 0.484 2238 P HA 0.111 nan 4.420 nan 0.000 0.270 2238 P C 0.706 177.987 177.300 -0.031 0.000 1.223 2238 P CA -0.128 62.950 63.100 -0.037 0.000 0.785 2238 P CB 0.853 32.543 31.700 -0.017 0.000 0.923 2239 A N 2.366 125.170 122.820 -0.027 0.000 2.076 2239 A HA -0.087 4.233 4.320 0.001 0.000 0.220 2239 A C 1.985 179.560 177.584 -0.015 0.000 1.160 2239 A CA 2.073 54.097 52.037 -0.022 0.000 0.653 2239 A CB -1.463 17.525 19.000 -0.020 0.000 0.801 2239 A HN 0.667 nan 8.150 nan 0.000 0.455 2240 G N -1.478 107.316 108.800 -0.010 0.000 3.088 2240 G HA2 0.379 4.339 3.960 0.001 0.000 0.217 2240 G HA3 0.379 4.339 3.960 0.001 0.000 0.217 2240 G C 0.190 175.091 174.900 0.000 0.000 1.159 2240 G CA 0.243 45.341 45.100 -0.004 0.000 0.760 2240 G HN 0.220 nan 8.290 nan 0.000 0.550 2241 V N 0.796 120.709 119.914 -0.002 0.000 2.465 2241 V HA 0.287 4.408 4.120 0.001 0.000 0.279 2241 V C 0.686 176.777 176.094 -0.006 0.000 1.045 2241 V CA -0.127 62.175 62.300 0.004 0.000 0.938 2241 V CB 1.637 33.466 31.823 0.009 0.000 0.986 2241 V HN 0.230 nan 8.190 nan 0.000 0.467 2242 K N 2.732 123.130 120.400 -0.002 0.000 2.412 2242 K HA 0.569 4.890 4.320 0.001 0.000 0.202 2242 K C 0.196 176.780 176.600 -0.028 0.000 1.102 2242 K CA 0.354 56.634 56.287 -0.012 0.000 1.027 2242 K CB 1.364 33.862 32.500 -0.003 0.000 0.931 2242 K HN 0.739 nan 8.250 nan 0.000 0.557 2243 A N 0.818 123.622 122.820 -0.027 0.000 2.574 2243 A HA 0.646 4.966 4.320 0.001 0.000 0.297 2243 A C -1.371 176.159 177.584 -0.089 0.000 1.062 2243 A CA -0.597 51.391 52.037 -0.082 0.000 0.686 2243 A CB 1.722 20.691 19.000 -0.052 0.000 1.285 2243 A HN -0.098 nan 8.150 nan 0.000 0.403 2244 V N 0.940 120.714 119.914 -0.232 0.000 2.925 2244 V HA 0.658 4.778 4.120 0.001 0.000 0.311 2244 V C -1.419 174.404 176.094 -0.452 0.000 1.104 2244 V CA -0.523 61.663 62.300 -0.189 0.000 0.954 2244 V CB 1.832 33.590 31.823 -0.108 0.000 1.022 2244 V HN 0.873 nan 8.190 nan 0.000 0.427 2245 Y N 1.117 121.351 120.300 -0.110 0.000 2.553 2245 Y HA 0.631 5.182 4.550 0.001 0.000 0.347 2245 Y C -0.048 175.699 175.900 -0.255 0.000 1.019 2245 Y CA -0.619 57.379 58.100 -0.171 0.000 1.032 2245 Y CB 2.314 40.715 38.460 -0.099 0.000 1.284 2245 Y HN 0.721 nan 8.280 nan 0.000 0.466 2246 E N 2.257 122.346 120.200 -0.186 0.000 2.277 2246 E HA 0.590 4.940 4.350 0.001 0.000 0.266 2246 E C -1.748 174.658 176.600 -0.322 0.000 0.901 2246 E CA -0.742 55.471 56.400 -0.311 0.000 0.782 2246 E CB 1.348 30.753 29.700 -0.492 0.000 1.228 2246 E HN 0.458 nan 8.360 nan 0.000 0.424 2247 I N 3.607 123.897 120.570 -0.467 0.000 2.389 2247 I HA 0.293 4.463 4.170 0.001 0.000 0.288 2247 I C -0.457 175.499 176.117 -0.267 0.000 0.999 2247 I CA -0.823 60.224 61.300 -0.423 0.000 1.129 2247 I CB 1.227 38.816 38.000 -0.686 0.000 1.288 2247 I HN 0.351 nan 8.210 nan 0.000 0.444 2248 V N 7.656 127.489 119.914 -0.136 0.000 2.472 2248 V HA 0.511 4.631 4.120 0.001 0.000 0.290 2248 V C 0.139 176.275 176.094 0.070 0.000 1.037 2248 V CA -0.476 61.817 62.300 -0.012 0.000 0.908 2248 V CB 2.269 34.112 31.823 0.033 0.000 0.985 2248 V HN 0.449 nan 8.190 nan 0.000 0.454 2249 I N 4.615 125.240 120.570 0.092 0.000 2.466 2249 I HA 0.479 4.650 4.170 0.001 0.000 0.289 2249 I C -0.624 175.551 176.117 0.097 0.000 1.026 2249 I CA -0.548 60.812 61.300 0.101 0.000 1.078 2249 I CB 2.024 40.090 38.000 0.109 0.000 1.249 2249 I HN 0.496 nan 8.210 nan 0.000 0.429 2250 N N 3.569 122.322 118.700 0.089 0.000 2.370 2250 N HA 0.840 5.581 4.740 0.001 0.000 0.303 2250 N C -0.407 175.136 175.510 0.055 0.000 1.103 2250 N CA -0.475 52.617 53.050 0.070 0.000 0.848 2250 N CB 2.356 40.885 38.487 0.071 0.000 1.235 2250 N HN 0.836 nan 8.380 nan 0.000 0.496 2251 G N -0.386 108.434 108.800 0.033 0.000 2.646 2251 G HA2 0.328 4.289 3.960 0.001 0.000 0.291 2251 G HA3 0.328 4.289 3.960 0.001 0.000 0.291 2251 G C 0.329 175.234 174.900 0.010 0.000 1.445 2251 G CA -0.679 44.437 45.100 0.025 0.000 0.814 2251 G HN 0.434 nan 8.290 nan 0.000 0.495 2252 L N 0.124 121.355 121.223 0.013 0.000 2.191 2252 L HA 0.117 4.457 4.340 0.001 0.000 0.212 2252 L C 1.170 178.040 176.870 -0.000 0.000 1.103 2252 L CA 1.038 55.884 54.840 0.010 0.000 0.769 2252 L CB -0.558 41.505 42.059 0.007 0.000 0.908 2252 L HN 0.712 nan 8.230 nan 0.000 0.438 2253 N N -2.387 116.309 118.700 -0.007 0.000 3.179 2253 N HA 0.206 4.947 4.740 0.001 0.000 0.250 2253 N C 0.298 175.802 175.510 -0.009 0.000 1.507 2253 N CA 0.054 53.099 53.050 -0.008 0.000 0.883 2253 N CB 1.559 40.049 38.487 0.004 0.000 1.435 2253 N HN -0.203 nan 8.380 nan 0.000 0.532 2254 A N 0.281 123.106 122.820 0.009 0.000 1.898 2254 A HA -0.147 4.174 4.320 0.001 0.000 0.216 2254 A C 1.381 178.973 177.584 0.013 0.000 1.181 2254 A CA 1.882 53.933 52.037 0.024 0.000 0.620 2254 A CB -0.689 18.349 19.000 0.064 0.000 0.819 2254 A HN 0.713 nan 8.150 nan 0.000 0.442 2255 D N 0.213 120.617 120.400 0.007 0.000 2.149 2255 D HA -0.096 4.545 4.640 0.001 0.000 0.198 2255 D C 2.186 178.485 176.300 -0.003 0.000 0.990 2255 D CA 1.552 55.551 54.000 -0.003 0.000 0.839 2255 D CB -0.367 40.430 40.800 -0.005 0.000 0.948 2255 D HN 0.443 nan 8.370 nan 0.000 0.460 2256 A N 0.968 123.789 122.820 0.003 0.000 1.898 2256 A HA -0.112 4.208 4.320 0.001 0.000 0.216 2256 A C 2.193 179.789 177.584 0.019 0.000 1.181 2256 A CA 0.672 52.714 52.037 0.009 0.000 0.620 2256 A CB -0.368 18.639 19.000 0.010 0.000 0.819 2256 A HN 0.102 nan 8.150 nan 0.000 0.442 2257 I N 0.167 120.749 120.570 0.020 0.000 2.226 2257 I HA -0.213 3.958 4.170 0.001 0.000 0.245 2257 I C 2.198 178.336 176.117 0.035 0.000 1.100 2257 I CA 1.543 62.865 61.300 0.037 0.000 1.374 2257 I CB -1.202 36.818 38.000 0.032 0.000 1.057 2257 I HN 0.375 nan 8.210 nan 0.000 0.413 2258 K N 0.532 120.938 120.400 0.010 0.000 2.057 2258 K HA -0.222 4.098 4.320 0.001 0.000 0.207 2258 K C 2.039 178.613 176.600 -0.044 0.000 1.049 2258 K CA 1.503 57.778 56.287 -0.020 0.000 0.931 2258 K CB -0.155 32.323 32.500 -0.036 0.000 0.714 2258 K HN 0.352 nan 8.250 nan 0.000 0.440 2259 E N 0.919 121.103 120.200 -0.027 0.000 2.072 2259 E HA -0.179 4.172 4.350 0.001 0.000 0.191 2259 E C 1.957 178.555 176.600 -0.003 0.000 0.985 2259 E CA 1.023 57.404 56.400 -0.030 0.000 0.801 2259 E CB -0.045 29.648 29.700 -0.013 0.000 0.750 2259 E HN 0.285 nan 8.360 nan 0.000 0.452 2260 A N 0.415 123.254 122.820 0.032 0.000 1.908 2260 A HA -0.199 4.121 4.320 0.001 0.000 0.218 2260 A C 2.420 180.067 177.584 0.105 0.000 1.181 2260 A CA 2.170 54.252 52.037 0.076 0.000 0.627 2260 A CB -1.126 17.931 19.000 0.094 0.000 0.818 2260 A HN 0.383 nan 8.150 nan 0.000 0.445 2261 T N -0.756 113.853 114.554 0.092 0.000 2.708 2261 T HA -0.171 4.179 4.350 0.001 0.000 0.266 2261 T C 2.074 176.735 174.700 -0.065 0.000 1.037 2261 T CA 1.554 63.714 62.100 0.099 0.000 1.146 2261 T CB -0.255 68.662 68.868 0.083 0.000 0.865 2261 T HN 0.591 nan 8.240 nan 0.000 0.435 2262 R N 0.637 121.070 120.500 -0.111 0.000 2.073 2262 R HA -0.076 4.264 4.340 0.001 0.000 0.234 2262 R C 2.358 178.650 176.300 -0.013 0.000 1.134 2262 R CA 1.286 57.293 56.100 -0.156 0.000 0.952 2262 R CB -0.595 29.538 30.300 -0.278 0.000 0.850 2262 R HN 0.230 nan 8.270 nan 0.000 0.433 2263 V N 0.586 120.500 119.914 0.000 0.000 2.343 2263 V HA -0.177 3.943 4.120 0.001 0.000 0.247 2263 V C 2.406 178.528 176.094 0.047 0.000 1.051 2263 V CA 2.104 64.426 62.300 0.036 0.000 1.036 2263 V CB -0.827 31.024 31.823 0.046 0.000 0.654 2263 V HN 0.698 nan 8.190 nan 0.000 0.451 2264 G N -0.414 108.422 108.800 0.061 0.000 2.402 2264 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 2264 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 2264 G C 1.569 176.411 174.900 -0.097 0.000 1.162 2264 G CA 0.901 46.081 45.100 0.133 0.000 0.777 2264 G HN 0.490 nan 8.290 nan 0.000 0.539 2265 I N 0.364 120.684 120.570 -0.417 0.000 2.202 2265 I HA -0.088 4.083 4.170 0.001 0.000 0.242 2265 I C 2.697 178.745 176.117 -0.113 0.000 1.091 2265 I CA 0.516 61.557 61.300 -0.431 0.000 1.368 2265 I CB -0.225 37.578 38.000 -0.329 0.000 1.058 2265 I HN 0.106 nan 8.210 nan 0.000 0.410 2266 L N 0.618 121.842 121.223 0.001 0.000 2.043 2266 L HA -0.268 4.073 4.340 0.001 0.000 0.212 2266 L C 2.805 179.681 176.870 0.011 0.000 1.075 2266 L CA 1.656 56.513 54.840 0.029 0.000 0.752 2266 L CB -0.751 41.356 42.059 0.080 0.000 0.891 2266 L HN 0.287 nan 8.230 nan 0.000 0.432 2267 A N -0.420 122.416 122.820 0.027 0.000 1.897 2267 A HA -0.029 4.291 4.320 0.001 0.000 0.215 2267 A C 2.531 180.142 177.584 0.044 0.000 1.181 2267 A CA 1.297 53.358 52.037 0.039 0.000 0.620 2267 A CB -0.614 18.420 19.000 0.057 0.000 0.821 2267 A HN 0.378 nan 8.150 nan 0.000 0.443 2268 A N 0.173 123.030 122.820 0.062 0.000 1.908 2268 A HA -0.148 4.172 4.320 0.001 0.000 0.218 2268 A C 2.308 179.923 177.584 0.051 0.000 1.181 2268 A CA 2.478 54.569 52.037 0.091 0.000 0.627 2268 A CB -1.562 17.541 19.000 0.171 0.000 0.818 2268 A HN 0.807 nan 8.150 nan 0.000 0.445 2269 T N -2.813 111.749 114.554 0.012 0.000 3.155 2269 T HA 0.004 4.354 4.350 0.001 0.000 0.264 2269 T C 1.382 176.081 174.700 -0.001 0.000 1.160 2269 T CA 1.115 63.212 62.100 -0.006 0.000 1.075 2269 T CB -0.104 68.733 68.868 -0.051 0.000 0.921 2269 T HN 0.284 nan 8.240 nan 0.000 0.533 2270 K N 0.494 120.900 120.400 0.010 0.000 2.365 2270 K HA 0.220 4.540 4.320 0.001 0.000 0.197 2270 K C 0.474 177.082 176.600 0.014 0.000 1.042 2270 K CA 0.061 56.354 56.287 0.009 0.000 0.987 2270 K CB 0.088 32.596 32.500 0.013 0.000 0.779 2270 K HN 0.412 nan 8.250 nan 0.000 0.484 2271 I N 3.271 123.854 120.570 0.022 0.000 2.352 2271 I HA 0.182 4.352 4.170 0.001 0.000 0.290 2271 I C -2.255 173.876 176.117 0.024 0.000 1.036 2271 I CA -3.626 57.688 61.300 0.024 0.000 1.336 2271 I CB 0.192 38.212 38.000 0.033 0.000 1.407 2271 I HN -0.223 nan 8.210 nan 0.000 0.497 2272 P HA 0.220 nan 4.420 nan 0.000 0.267 2272 P C 0.881 178.196 177.300 0.024 0.000 1.200 2272 P CA 0.562 63.673 63.100 0.017 0.000 0.772 2272 P CB 0.649 32.357 31.700 0.013 0.000 0.855 2273 G N 0.464 109.278 108.800 0.023 0.000 2.217 2273 G HA2 -0.217 3.743 3.960 0.001 0.000 0.246 2273 G HA3 -0.217 3.743 3.960 0.001 0.000 0.246 2273 G C 0.076 174.999 174.900 0.038 0.000 0.990 2273 G CA -0.146 44.971 45.100 0.029 0.000 0.627 2273 G HN 0.543 nan 8.290 nan 0.000 0.522 2274 V N 1.488 121.427 119.914 0.041 0.000 2.521 2274 V HA 0.305 4.426 4.120 0.001 0.000 0.286 2274 V C 1.705 177.823 176.094 0.041 0.000 1.034 2274 V CA 0.543 62.874 62.300 0.053 0.000 1.045 2274 V CB 1.475 33.332 31.823 0.056 0.000 0.974 2274 V HN 0.168 nan 8.190 nan 0.000 0.480 2275 V N 4.071 124.014 119.914 0.048 0.000 2.672 2275 V HA 0.190 4.310 4.120 0.001 0.000 0.242 2275 V C 0.614 176.730 176.094 0.037 0.000 1.059 2275 V CA 1.038 63.360 62.300 0.036 0.000 1.081 2275 V CB 0.032 31.876 31.823 0.035 0.000 0.752 2275 V HN 0.890 nan 8.190 nan 0.000 0.472 2276 K N -0.254 120.182 120.400 0.060 0.000 2.562 2276 K HA 0.444 4.764 4.320 0.001 0.000 0.267 2276 K C -2.194 174.468 176.600 0.102 0.000 0.938 2276 K CA -0.634 55.690 56.287 0.063 0.000 0.840 2276 K CB 2.197 34.734 32.500 0.061 0.000 1.390 2276 K HN -0.057 nan 8.250 nan 0.000 0.428 2277 I N 3.279 123.898 120.570 0.083 0.000 2.433 2277 I HA 0.400 4.570 4.170 0.001 0.000 0.292 2277 I C 0.481 176.658 176.117 0.099 0.000 1.001 2277 I CA -0.264 61.110 61.300 0.123 0.000 1.119 2277 I CB 1.100 39.135 38.000 0.058 0.000 1.289 2277 I HN 0.993 nan 8.210 nan 0.000 0.438 2278 T N 2.516 117.147 114.554 0.128 0.000 2.587 2278 T HA 0.956 5.306 4.350 0.001 0.000 0.282 2278 T C -1.045 173.569 174.700 -0.143 0.000 1.018 2278 T CA -0.359 61.742 62.100 0.002 0.000 1.120 2278 T CB 2.152 71.024 68.868 0.007 0.000 1.538 2278 T HN 0.871 nan 8.240 nan 0.000 0.480 2279 A N -0.786 121.741 122.820 -0.488 0.000 2.601 2279 A HA 0.840 5.161 4.320 0.001 0.000 0.291 2279 A C -0.181 176.649 177.584 -1.257 0.000 1.075 2279 A CA -0.432 51.090 52.037 -0.859 0.000 0.671 2279 A CB 0.901 19.708 19.000 -0.320 0.000 1.277 2279 A HN 1.589 nan 8.150 nan 0.000 0.417 2280 G N 0.384 108.373 108.800 -1.351 0.000 2.371 2280 G HA2 0.606 4.566 3.960 0.001 0.000 0.326 2280 G HA3 0.606 4.566 3.960 0.001 0.000 0.326 2280 G C -0.455 174.153 174.900 -0.487 0.000 1.127 2280 G CA -0.079 44.513 45.100 -0.846 0.000 0.885 2280 G HN 1.161 nan 8.290 nan 0.000 0.477 2281 N N -0.727 117.648 118.700 -0.541 0.000 3.204 2281 N HA 0.296 5.036 4.740 0.001 0.000 0.285 2281 N C -1.404 173.779 175.510 -0.546 0.000 1.536 2281 N CA -0.909 51.907 53.050 -0.390 0.000 0.832 2281 N CB 1.321 39.502 38.487 -0.510 0.000 1.645 2281 N HN 0.347 nan 8.380 nan 0.000 0.586 2282 Y N -0.972 119.378 120.300 0.082 0.000 2.672 2282 Y HA 0.429 4.980 4.550 0.000 0.000 0.272 2282 Y C 1.136 177.109 175.900 0.122 0.000 1.055 2282 Y CA -0.086 58.080 58.100 0.111 0.000 1.151 2282 Y CB 0.724 39.284 38.460 0.168 0.000 1.190 2282 Y HN 1.008 nan 8.280 nan 0.000 0.574 2283 G N 0.016 108.935 108.800 0.200 0.000 2.153 2283 G HA2 -0.127 3.834 3.960 0.001 0.000 0.252 2283 G HA3 -0.127 3.834 3.960 0.001 0.000 0.252 2283 G C 1.261 176.324 174.900 0.270 0.000 0.994 2283 G CA 0.513 45.745 45.100 0.220 0.000 0.698 2283 G HN 1.325 nan 8.290 nan 0.000 0.521 2284 G N -0.995 108.009 108.800 0.341 0.000 2.225 2284 G HA2 -0.178 3.783 3.960 0.001 0.000 0.254 2284 G HA3 -0.178 3.783 3.960 0.001 0.000 0.254 2284 G C 0.389 175.349 174.900 0.100 0.000 0.988 2284 G CA 1.361 46.563 45.100 0.171 0.000 0.625 2284 G HN 1.879 nan 8.290 nan 0.000 0.527 2285 K N 0.158 120.643 120.400 0.143 0.000 2.138 2285 K HA 0.865 5.185 4.320 0.001 0.000 0.263 2285 K C 1.239 177.912 176.600 0.122 0.000 0.965 2285 K CA -0.378 55.971 56.287 0.103 0.000 0.868 2285 K CB 1.919 34.480 32.500 0.101 0.000 1.083 2285 K HN 0.613 nan 8.250 nan 0.000 0.443 2286 L N -1.078 120.193 121.223 0.080 0.000 2.286 2286 L HA -0.232 4.108 4.340 0.001 0.000 0.465 2286 L C 0.986 177.894 176.870 0.064 0.000 0.705 2286 L CA 1.259 56.172 54.840 0.121 0.000 3.281 2286 L CB -1.978 40.158 42.059 0.129 0.000 0.595 2286 L HN 0.996 nan 8.230 nan 0.000 0.785 2287 G N -0.117 108.591 108.800 -0.153 0.000 2.507 2287 G HA2 0.416 4.376 3.960 0.001 0.000 0.271 2287 G HA3 0.416 4.376 3.960 0.001 0.000 0.271 2287 G C 0.357 175.081 174.900 -0.293 0.000 1.189 2287 G CA 0.590 45.360 45.100 -0.550 0.000 0.859 2287 G HN 0.277 nan 8.290 nan 0.000 0.542 2288 K N -0.970 119.236 120.400 -0.324 0.000 2.474 2288 K HA 0.128 4.448 4.320 0.001 0.000 0.204 2288 K C -0.281 176.040 176.600 -0.465 0.000 1.220 2288 K CA -0.107 55.996 56.287 -0.308 0.000 0.966 2288 K CB 0.419 32.761 32.500 -0.264 0.000 1.049 2288 K HN 0.600 nan 8.250 nan 0.000 0.554 2289 H N 0.154 119.120 119.070 -0.174 0.000 2.551 2289 H HA 0.352 4.909 4.556 0.001 0.000 0.321 2289 H C -1.299 173.977 175.328 -0.086 0.000 1.028 2289 H CA -0.520 55.465 56.048 -0.105 0.000 1.215 2289 H CB 1.229 30.952 29.762 -0.065 0.000 1.414 2289 H HN -0.030 nan 8.280 nan 0.000 0.480 2290 I N 4.220 124.783 120.570 -0.011 0.000 2.406 2290 I HA 0.263 4.433 4.170 0.001 0.000 0.290 2290 I C -0.403 175.731 176.117 0.028 0.000 0.999 2290 I CA -0.243 61.049 61.300 -0.014 0.000 1.124 2290 I CB 1.343 39.203 38.000 -0.233 0.000 1.289 2290 I HN 0.523 nan 8.210 nan 0.000 0.441 2291 I N 6.216 126.852 120.570 0.109 0.000 2.359 2291 I HA 0.318 4.488 4.170 0.001 0.000 0.284 2291 I C -0.376 175.817 176.117 0.127 0.000 1.018 2291 I CA -0.562 60.792 61.300 0.090 0.000 1.173 2291 I CB 0.514 38.569 38.000 0.091 0.000 1.326 2291 I HN 0.445 nan 8.210 nan 0.000 0.462 2292 N N 6.273 125.021 118.700 0.080 0.000 2.430 2292 N HA 0.156 4.896 4.740 0.001 0.000 0.265 2292 N C 0.831 176.386 175.510 0.076 0.000 1.100 2292 N CA -0.386 52.729 53.050 0.107 0.000 0.961 2292 N CB 2.066 40.586 38.487 0.056 0.000 1.075 2292 N HN 0.463 nan 8.380 nan 0.000 0.478 2293 L N 2.996 124.283 121.223 0.107 0.000 2.083 2293 L HA -0.217 4.124 4.340 0.001 0.000 0.209 2293 L C 1.928 178.901 176.870 0.172 0.000 1.083 2293 L CA 1.392 56.308 54.840 0.127 0.000 0.752 2293 L CB -0.746 41.406 42.059 0.155 0.000 0.899 2293 L HN 0.607 nan 8.230 nan 0.000 0.433 2294 N N -0.458 118.328 118.700 0.143 0.000 2.585 2294 N HA -0.190 4.551 4.740 0.001 0.000 0.188 2294 N C 1.196 176.768 175.510 0.104 0.000 1.102 2294 N CA 1.020 54.160 53.050 0.150 0.000 0.920 2294 N CB -0.566 37.980 38.487 0.097 0.000 0.963 2294 N HN 0.491 nan 8.380 nan 0.000 0.447 2295 E N -0.429 119.793 120.200 0.037 0.000 2.474 2295 E HA 0.193 4.543 4.350 0.001 0.000 0.195 2295 E C 1.035 177.568 176.600 -0.111 0.000 1.039 2295 E CA -0.090 56.300 56.400 -0.018 0.000 0.881 2295 E CB 0.159 29.846 29.700 -0.023 0.000 0.970 2295 E HN 0.400 nan 8.360 nan 0.000 0.486 2296 L N -0.044 121.033 121.223 -0.245 0.000 2.529 2296 L HA 0.175 4.515 4.340 0.001 0.000 0.223 2296 L C 0.120 176.446 176.870 -0.908 0.000 1.113 2296 L CA 0.402 54.849 54.840 -0.655 0.000 0.861 2296 L CB 0.161 41.606 42.059 -1.024 0.000 1.012 2296 L HN 0.023 nan 8.230 nan 0.000 0.461 2297 F N 0.000 119.940 119.950 -0.017 0.000 2.286 2297 F HA 0.000 4.527 4.527 0.000 0.000 0.279 2297 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 2297 F CB 0.000 38.986 39.000 -0.024 0.000 1.145 2297 F HN 0.000 nan 8.300 nan 0.000 0.574