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 1sj9_1_B DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL 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 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.620 174.600 0.033 0.000 1.055 2004 S CA 0.000 58.207 58.200 0.012 0.000 1.107 2004 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 2005 D N 0.875 121.290 120.400 0.025 0.000 2.349 2005 D HA 0.314 4.954 4.640 -0.001 0.000 0.214 2005 D C -0.537 175.793 176.300 0.051 0.000 1.063 2005 D CA 0.772 54.793 54.000 0.036 0.000 0.847 2005 D CB 0.845 41.658 40.800 0.023 0.000 0.933 2005 D HN 0.077 nan 8.370 nan 0.000 0.513 2006 V N 1.398 121.340 119.914 0.046 0.000 2.612 2006 V HA 0.141 4.260 4.120 -0.001 0.000 0.301 2006 V C -0.309 175.816 176.094 0.051 0.000 1.059 2006 V CA -0.666 61.673 62.300 0.065 0.000 0.886 2006 V CB 2.246 34.085 31.823 0.026 0.000 1.007 2006 V HN -0.122 nan 8.190 nan 0.000 0.426 2007 F N 2.693 122.639 119.950 -0.006 0.000 2.622 2007 F HA 0.200 4.727 4.527 -0.001 0.000 0.288 2007 F C 1.928 177.664 175.800 -0.106 0.000 1.120 2007 F CA 0.993 58.971 58.000 -0.036 0.000 1.423 2007 F CB 0.122 39.139 39.000 0.029 0.000 1.127 2007 F HN 0.763 nan 8.300 nan 0.000 0.588 2008 H N 0.729 119.907 119.070 0.181 0.000 2.253 2008 H HA -0.060 4.495 4.556 -0.001 0.000 0.296 2008 H C 1.984 177.329 175.328 0.030 0.000 1.074 2008 H CA 2.517 58.662 56.048 0.163 0.000 1.263 2008 H CB -0.316 29.531 29.762 0.142 0.000 1.363 2008 H HN 0.239 nan 8.280 nan 0.000 0.489 2009 L N -0.960 120.336 121.223 0.120 0.000 2.513 2009 L HA 0.175 4.515 4.340 -0.001 0.000 0.222 2009 L C 0.934 177.633 176.870 -0.285 0.000 1.096 2009 L CA 0.485 55.338 54.840 0.021 0.000 0.857 2009 L CB 0.293 42.378 42.059 0.044 0.000 1.026 2009 L HN 0.435 nan 8.230 nan 0.000 0.469 2010 G N 1.963 110.512 108.800 -0.418 0.000 2.422 2010 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.290 2010 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.290 2010 G C -0.563 174.232 174.900 -0.174 0.000 1.059 2010 G CA 0.421 45.250 45.100 -0.452 0.000 1.242 2010 G HN 0.239 nan 8.290 nan 0.000 0.520 2011 L N -2.788 118.375 121.223 -0.099 0.000 3.042 2011 L HA 1.024 5.364 4.340 -0.001 0.000 0.282 2011 L C -0.159 176.693 176.870 -0.030 0.000 1.032 2011 L CA -0.497 54.309 54.840 -0.056 0.000 1.001 2011 L CB 0.799 42.832 42.059 -0.044 0.000 1.587 2011 L HN 0.910 nan 8.230 nan 0.000 0.368 2012 T N -2.492 112.049 114.554 -0.023 0.000 2.739 2012 T HA 0.424 4.773 4.350 -0.001 0.000 0.303 2012 T C 0.153 174.845 174.700 -0.013 0.000 1.389 2012 T CA -0.145 61.948 62.100 -0.012 0.000 1.001 2012 T CB 1.572 70.435 68.868 -0.009 0.000 1.436 2012 T HN 0.713 nan 8.240 nan 0.000 0.500 2013 K N 0.941 121.336 120.400 -0.008 0.000 2.032 2013 K HA -0.148 4.172 4.320 -0.001 0.000 0.209 2013 K C 2.050 178.641 176.600 -0.014 0.000 1.048 2013 K CA 1.589 57.870 56.287 -0.010 0.000 0.927 2013 K CB -0.382 32.114 32.500 -0.006 0.000 0.712 2013 K HN 0.538 nan 8.250 nan 0.000 0.441 2014 N N 2.021 120.713 118.700 -0.013 0.000 2.094 2014 N HA -0.227 4.513 4.740 -0.001 0.000 0.191 2014 N C 1.179 176.676 175.510 -0.021 0.000 1.023 2014 N CA 2.031 55.072 53.050 -0.015 0.000 0.857 2014 N CB -0.254 38.225 38.487 -0.013 0.000 1.013 2014 N HN 0.165 nan 8.380 nan 0.000 0.426 2015 D N 0.269 120.654 120.400 -0.024 0.000 2.097 2015 D HA -0.011 4.628 4.640 -0.001 0.000 0.195 2015 D C 1.783 178.064 176.300 -0.031 0.000 0.989 2015 D CA 0.528 54.509 54.000 -0.032 0.000 0.827 2015 D CB -0.063 40.714 40.800 -0.037 0.000 0.966 2015 D HN 0.172 nan 8.370 nan 0.000 0.456 2016 L N 0.255 121.462 121.223 -0.026 0.000 2.651 2016 L HA -0.174 4.165 4.340 -0.001 0.000 0.236 2016 L C 1.196 178.050 176.870 -0.026 0.000 1.173 2016 L CA 0.984 55.808 54.840 -0.026 0.000 0.843 2016 L CB -0.566 41.477 42.059 -0.027 0.000 0.964 2016 L HN 0.310 nan 8.230 nan 0.000 0.454 2017 Q N 0.067 119.853 119.800 -0.023 0.000 2.253 2017 Q HA -0.254 4.085 4.340 -0.001 0.000 0.186 2017 Q C 0.789 176.777 176.000 -0.020 0.000 0.624 2017 Q CA 1.449 57.239 55.803 -0.020 0.000 1.417 2017 Q CB -1.328 27.399 28.738 -0.019 0.000 1.543 2017 Q HN 0.651 nan 8.270 nan 0.000 0.809 2018 G N -1.879 106.907 108.800 -0.022 0.000 2.248 2018 G HA2 0.097 4.056 3.960 -0.001 0.000 0.252 2018 G HA3 0.097 4.056 3.960 -0.001 0.000 0.252 2018 G C -0.089 174.794 174.900 -0.028 0.000 1.085 2018 G CA 0.345 45.432 45.100 -0.022 0.000 0.845 2018 G HN 1.285 nan 8.290 nan 0.000 0.494 2019 A N 0.312 123.110 122.820 -0.038 0.000 2.331 2019 A HA 0.786 5.105 4.320 -0.001 0.000 0.320 2019 A C 0.369 177.908 177.584 -0.075 0.000 1.138 2019 A CA -0.329 51.678 52.037 -0.049 0.000 0.790 2019 A CB 0.865 19.837 19.000 -0.046 0.000 1.206 2019 A HN 0.865 nan 8.150 nan 0.000 0.470 2020 Q N 2.414 122.165 119.800 -0.081 0.000 2.901 2020 Q HA 0.599 4.938 4.340 -0.001 0.000 0.265 2020 Q C -1.124 174.777 176.000 -0.166 0.000 1.263 2020 Q CA -0.158 55.575 55.803 -0.116 0.000 1.088 2020 Q CB 0.253 28.945 28.738 -0.077 0.000 1.339 2020 Q HN 0.659 nan 8.270 nan 0.000 0.546 2021 L N 0.239 121.323 121.223 -0.231 0.000 3.349 2021 L HA 0.621 4.961 4.340 -0.001 0.000 0.265 2021 L C -2.294 174.403 176.870 -0.288 0.000 0.964 2021 L CA -0.101 54.575 54.840 -0.273 0.000 1.103 2021 L CB 1.557 43.524 42.059 -0.154 0.000 1.838 2021 L HN 0.447 nan 8.230 nan 0.000 0.527 2022 A N 5.228 127.799 122.820 -0.416 0.000 2.385 2022 A HA 0.746 5.065 4.320 -0.001 0.000 0.290 2022 A C -1.120 176.391 177.584 -0.121 0.000 1.094 2022 A CA -0.384 51.495 52.037 -0.264 0.000 0.729 2022 A CB 0.997 19.807 19.000 -0.317 0.000 1.194 2022 A HN 0.490 nan 8.150 nan 0.000 0.442 2023 I N 2.596 123.144 120.570 -0.036 0.000 2.471 2023 I HA 0.281 4.450 4.170 -0.001 0.000 0.286 2023 I C 0.256 176.410 176.117 0.061 0.000 1.079 2023 I CA 0.230 61.540 61.300 0.018 0.000 1.398 2023 I CB 1.392 39.401 38.000 0.014 0.000 1.403 2023 I HN 0.466 nan 8.210 nan 0.000 0.530 2024 V N 7.218 127.192 119.914 0.101 0.000 2.376 2024 V HA 0.727 4.846 4.120 -0.001 0.000 0.287 2024 V C -2.650 173.500 176.094 0.094 0.000 1.015 2024 V CA -1.551 60.821 62.300 0.120 0.000 0.834 2024 V CB 1.317 33.248 31.823 0.180 0.000 1.001 2024 V HN 0.564 nan 8.190 nan 0.000 0.428 2025 P HA 0.487 nan 4.420 nan 0.000 0.289 2025 P C 0.535 177.889 177.300 0.090 0.000 1.300 2025 P CA -0.200 62.944 63.100 0.073 0.000 0.828 2025 P CB 2.492 34.226 31.700 0.057 0.000 1.235 2026 G N -1.281 107.567 108.800 0.080 0.000 2.719 2026 G HA2 0.009 3.968 3.960 -0.001 0.000 0.211 2026 G HA3 0.009 3.968 3.960 -0.001 0.000 0.211 2026 G C 0.179 175.132 174.900 0.087 0.000 1.140 2026 G CA 0.354 45.510 45.100 0.093 0.000 0.790 2026 G HN 0.464 nan 8.290 nan 0.000 0.529 2027 D N 0.636 121.075 120.400 0.065 0.000 2.277 2027 D HA 0.258 4.897 4.640 -0.001 0.000 0.249 2027 D C -1.138 175.197 176.300 0.058 0.000 1.134 2027 D CA -2.392 51.637 54.000 0.049 0.000 0.863 2027 D CB 2.445 43.262 40.800 0.028 0.000 1.143 2027 D HN 0.021 nan 8.370 nan 0.000 0.458 2028 P HA -0.058 nan 4.420 nan 0.000 0.227 2028 P C 0.681 178.013 177.300 0.053 0.000 1.161 2028 P CA 0.506 63.652 63.100 0.077 0.000 0.788 2028 P CB 0.361 32.104 31.700 0.072 0.000 0.822 2029 E N 0.226 120.440 120.200 0.024 0.000 2.403 2029 E HA -0.018 4.331 4.350 -0.001 0.000 0.187 2029 E C 1.760 178.340 176.600 -0.033 0.000 1.073 2029 E CA -0.140 56.260 56.400 -0.001 0.000 0.888 2029 E CB -0.034 29.664 29.700 -0.003 0.000 1.035 2029 E HN 0.067 nan 8.360 nan 0.000 0.471 2030 R N -0.485 119.996 120.500 -0.032 0.000 2.453 2030 R HA 0.058 4.398 4.340 -0.001 0.000 0.233 2030 R C 1.600 177.843 176.300 -0.095 0.000 0.895 2030 R CA 0.353 56.419 56.100 -0.057 0.000 1.028 2030 R CB 0.369 30.656 30.300 -0.022 0.000 1.255 2030 R HN 0.039 nan 8.270 nan 0.000 0.571 2031 V N 2.250 122.125 119.914 -0.065 0.000 2.215 2031 V HA -0.340 3.779 4.120 -0.001 0.000 0.249 2031 V C 2.339 178.234 176.094 -0.331 0.000 1.054 2031 V CA 2.546 64.804 62.300 -0.070 0.000 1.012 2031 V CB -0.744 31.137 31.823 0.097 0.000 0.639 2031 V HN 0.479 nan 8.190 nan 0.000 0.448 2032 E N 0.260 120.035 120.200 -0.709 0.000 2.097 2032 E HA -0.334 4.015 4.350 -0.001 0.000 0.196 2032 E C 2.313 178.492 176.600 -0.702 0.000 1.000 2032 E CA 2.017 57.587 56.400 -1.384 0.000 0.804 2032 E CB -0.185 28.752 29.700 -1.272 0.000 0.740 2032 E HN 0.579 nan 8.360 nan 0.000 0.454 2033 K N 0.048 120.211 120.400 -0.394 0.000 2.211 2033 K HA -0.113 4.206 4.320 -0.001 0.000 0.204 2033 K C 2.074 178.566 176.600 -0.179 0.000 1.047 2033 K CA 1.130 57.275 56.287 -0.236 0.000 0.935 2033 K CB 0.011 32.421 32.500 -0.150 0.000 0.728 2033 K HN 0.242 nan 8.250 nan 0.000 0.452 2034 I N -0.555 119.915 120.570 -0.167 0.000 2.731 2034 I HA -0.059 4.111 4.170 -0.001 0.000 0.260 2034 I C 1.982 178.045 176.117 -0.090 0.000 1.138 2034 I CA 0.441 61.683 61.300 -0.097 0.000 1.461 2034 I CB 0.041 38.010 38.000 -0.052 0.000 1.128 2034 I HN 0.136 nan 8.210 nan 0.000 0.438 2035 A N 0.701 123.446 122.820 -0.125 0.000 2.067 2035 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 2035 A C 2.392 179.940 177.584 -0.060 0.000 1.158 2035 A CA 1.465 53.477 52.037 -0.042 0.000 0.661 2035 A CB -0.484 18.555 19.000 0.065 0.000 0.801 2035 A HN 0.423 nan 8.150 nan 0.000 0.452 2036 A N -0.712 122.012 122.820 -0.160 0.000 1.969 2036 A HA 0.073 4.393 4.320 -0.001 0.000 0.218 2036 A C 1.712 179.261 177.584 -0.058 0.000 1.169 2036 A CA 1.338 53.301 52.037 -0.123 0.000 0.635 2036 A CB -0.326 18.568 19.000 -0.177 0.000 0.810 2036 A HN 0.382 nan 8.150 nan 0.000 0.445 2037 L N -0.976 120.213 121.223 -0.056 0.000 2.599 2037 L HA 0.179 4.518 4.340 -0.001 0.000 0.230 2037 L C 1.738 178.599 176.870 -0.016 0.000 1.141 2037 L CA 0.734 55.554 54.840 -0.032 0.000 0.877 2037 L CB -0.748 41.291 42.059 -0.033 0.000 1.009 2037 L HN 0.400 nan 8.230 nan 0.000 0.447 2038 M N -1.432 118.164 119.600 -0.008 0.000 2.293 2038 M HA 0.123 4.602 4.480 -0.001 0.000 0.209 2038 M C -0.455 175.855 176.300 0.016 0.000 1.239 2038 M CA 0.553 55.858 55.300 0.008 0.000 1.845 2038 M CB 0.295 32.908 32.600 0.022 0.000 1.093 2038 M HN -0.113 nan 8.290 nan 0.000 0.891 2039 D N 0.261 120.679 120.400 0.031 0.000 2.970 2039 D HA 0.212 4.852 4.640 -0.001 0.000 0.230 2039 D C -1.210 175.119 176.300 0.048 0.000 1.276 2039 D CA -0.295 53.724 54.000 0.032 0.000 0.910 2039 D CB 1.428 42.239 40.800 0.019 0.000 1.590 2039 D HN 0.435 nan 8.370 nan 0.000 0.551 2040 K N -0.012 120.420 120.400 0.053 0.000 3.156 2040 K HA -0.154 4.165 4.320 -0.001 0.000 0.266 2040 K C -2.395 174.263 176.600 0.096 0.000 0.966 2040 K CA 0.237 56.561 56.287 0.062 0.000 0.719 2040 K CB -1.484 31.039 32.500 0.038 0.000 1.333 2040 K HN 0.302 nan 8.250 nan 0.000 0.468 2041 P HA 0.119 nan 4.420 nan 0.000 0.276 2041 P C -0.425 177.061 177.300 0.311 0.000 1.235 2041 P CA -0.254 63.014 63.100 0.279 0.000 0.772 2041 P CB 1.666 33.581 31.700 0.357 0.000 0.871 2042 V N 3.930 123.896 119.914 0.088 0.000 2.444 2042 V HA 0.321 4.441 4.120 -0.001 0.000 0.294 2042 V C 0.202 175.839 176.094 -0.763 0.000 1.022 2042 V CA -1.228 60.940 62.300 -0.220 0.000 0.850 2042 V CB 1.300 33.041 31.823 -0.136 0.000 0.992 2042 V HN 0.519 nan 8.190 nan 0.000 0.426 2043 K N 4.914 124.420 120.400 -1.489 0.000 2.530 2043 K HA 0.057 4.376 4.320 -0.001 0.000 0.280 2043 K C 0.325 176.430 176.600 -0.826 0.000 1.004 2043 K CA 0.761 55.952 56.287 -1.828 0.000 1.071 2043 K CB 0.496 32.383 32.500 -1.022 0.000 0.876 2043 K HN 0.837 nan 8.250 nan 0.000 0.487 2044 L N 2.450 123.279 121.223 -0.656 0.000 2.526 2044 L HA 0.381 4.721 4.340 -0.001 0.000 0.210 2044 L C 0.263 177.035 176.870 -0.163 0.000 1.048 2044 L CA 0.418 55.078 54.840 -0.300 0.000 0.852 2044 L CB 0.453 42.396 42.059 -0.193 0.000 1.128 2044 L HN 0.879 nan 8.230 nan 0.000 0.482 2045 A N -1.437 121.317 122.820 -0.109 0.000 2.490 2045 A HA 0.603 4.922 4.320 -0.001 0.000 0.292 2045 A C -0.991 176.650 177.584 0.094 0.000 1.047 2045 A CA -0.278 51.774 52.037 0.025 0.000 0.632 2045 A CB 1.045 20.112 19.000 0.111 0.000 1.323 2045 A HN -0.178 nan 8.150 nan 0.000 0.448 2046 S N 0.015 115.799 115.700 0.140 0.000 2.708 2046 S HA 0.338 4.807 4.470 -0.001 0.000 0.141 2046 S C -0.359 174.278 174.600 0.060 0.000 1.349 2046 S CA -0.367 57.901 58.200 0.114 0.000 1.206 2046 S CB -0.244 62.988 63.200 0.054 0.000 1.603 2046 S HN 0.704 nan 8.310 nan 0.000 0.415 2047 H N 1.624 120.708 119.070 0.024 0.000 2.935 2047 H HA 0.376 4.931 4.556 -0.001 0.000 0.326 2047 H C 1.847 177.153 175.328 -0.036 0.000 1.164 2047 H CA 0.556 56.612 56.048 0.013 0.000 1.661 2047 H CB 0.045 29.844 29.762 0.063 0.000 1.650 2047 H HN 0.180 nan 8.280 nan 0.000 0.801 2048 R N 0.613 121.140 120.500 0.045 0.000 1.451 2048 R HA -0.040 4.299 4.340 -0.001 0.000 0.066 2048 R C 1.693 177.839 176.300 -0.256 0.000 0.461 2048 R CA 0.432 56.385 56.100 -0.246 0.000 2.066 2048 R CB -0.514 29.399 30.300 -0.646 0.000 0.491 2048 R HN 0.510 nan 8.270 nan 0.000 0.765 2049 E N 0.185 120.106 120.200 -0.464 0.000 2.489 2049 E HA 0.029 4.379 4.350 -0.001 0.000 0.193 2049 E C -0.433 176.169 176.600 0.004 0.000 1.057 2049 E CA -0.116 56.174 56.400 -0.184 0.000 0.866 2049 E CB -0.006 29.613 29.700 -0.134 0.000 0.916 2049 E HN 0.240 nan 8.360 nan 0.000 0.500 2050 F N 0.978 120.998 119.950 0.118 0.000 2.434 2050 F HA 0.234 4.760 4.527 -0.001 0.000 0.358 2050 F C -0.119 175.759 175.800 0.130 0.000 1.136 2050 F CA -0.653 57.418 58.000 0.117 0.000 1.157 2050 F CB 1.092 40.163 39.000 0.119 0.000 1.167 2050 F HN -0.231 nan 8.300 nan 0.000 0.539 2051 T N 1.838 116.569 114.554 0.295 0.000 2.934 2051 T HA 0.205 4.555 4.350 -0.001 0.000 0.328 2051 T C -0.159 174.701 174.700 0.267 0.000 1.068 2051 T CA -0.882 61.368 62.100 0.251 0.000 1.018 2051 T CB 0.891 69.901 68.868 0.237 0.000 1.009 2051 T HN 0.570 nan 8.240 nan 0.000 0.471 2052 S N 2.039 117.858 115.700 0.199 0.000 2.601 2052 S HA 0.610 5.079 4.470 -0.001 0.000 0.271 2052 S C -0.999 173.700 174.600 0.166 0.000 1.305 2052 S CA -0.755 57.549 58.200 0.172 0.000 1.022 2052 S CB 0.889 64.139 63.200 0.083 0.000 0.940 2052 S HN 0.745 nan 8.310 nan 0.000 0.525 2053 W N 1.963 123.279 121.300 0.027 0.000 2.538 2053 W HA 0.408 5.067 4.660 -0.001 0.000 0.291 2053 W C 0.323 176.844 176.519 0.004 0.000 1.020 2053 W CA -0.694 56.661 57.345 0.016 0.000 1.375 2053 W CB 1.055 30.525 29.460 0.017 0.000 1.247 2053 W HN 0.714 nan 8.180 nan 0.000 0.377 2054 R N 2.159 122.704 120.500 0.074 0.000 2.811 2054 R HA 0.582 4.921 4.340 -0.001 0.000 0.265 2054 R C 0.258 176.626 176.300 0.113 0.000 1.026 2054 R CA 1.257 57.392 56.100 0.058 0.000 1.142 2054 R CB 0.759 31.052 30.300 -0.011 0.000 1.027 2054 R HN 0.553 nan 8.270 nan 0.000 0.465 2055 A N 1.269 124.135 122.820 0.075 0.000 3.287 2055 A HA 0.394 4.713 4.320 -0.001 0.000 0.299 2055 A C -1.652 175.954 177.584 0.037 0.000 1.086 2055 A CA -0.530 51.553 52.037 0.077 0.000 0.586 2055 A CB 1.249 20.311 19.000 0.103 0.000 1.539 2055 A HN 0.637 nan 8.150 nan 0.000 0.694 2056 E N 0.087 120.306 120.200 0.030 0.000 2.378 2056 E HA 0.502 4.851 4.350 -0.001 0.000 0.283 2056 E C -2.492 174.113 176.600 0.008 0.000 0.979 2056 E CA -0.477 55.931 56.400 0.013 0.000 0.795 2056 E CB 1.760 31.466 29.700 0.010 0.000 1.221 2056 E HN 0.622 nan 8.360 nan 0.000 0.428 2057 L N 3.564 124.786 121.223 -0.001 0.000 2.436 2057 L HA 0.340 4.680 4.340 -0.001 0.000 0.268 2057 L C -0.678 176.187 176.870 -0.008 0.000 0.974 2057 L CA 0.088 54.925 54.840 -0.005 0.000 0.826 2057 L CB 1.391 43.445 42.059 -0.009 0.000 1.291 2057 L HN 0.751 nan 8.230 nan 0.000 0.406 2058 D N 3.737 124.132 120.400 -0.007 0.000 2.845 2058 D HA -0.196 4.444 4.640 -0.001 0.000 0.229 2058 D C 1.165 177.460 176.300 -0.008 0.000 1.170 2058 D CA 1.718 55.713 54.000 -0.008 0.000 0.717 2058 D CB -0.764 40.029 40.800 -0.011 0.000 1.073 2058 D HN 1.108 nan 8.370 nan 0.000 0.424 2059 G N -1.617 107.179 108.800 -0.007 0.000 2.159 2059 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.227 2059 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.227 2059 G C 0.077 174.972 174.900 -0.009 0.000 0.986 2059 G CA 0.271 45.367 45.100 -0.007 0.000 0.651 2059 G HN 0.431 nan 8.290 nan 0.000 0.523 2060 K N -0.052 120.342 120.400 -0.011 0.000 2.464 2060 K HA 0.791 5.110 4.320 -0.001 0.000 0.253 2060 K C 0.295 176.885 176.600 -0.016 0.000 0.933 2060 K CA 0.159 56.437 56.287 -0.015 0.000 0.801 2060 K CB 1.974 34.462 32.500 -0.020 0.000 1.271 2060 K HN 0.801 nan 8.250 nan 0.000 0.430 2061 A N 1.350 124.160 122.820 -0.017 0.000 2.483 2061 A HA 0.515 4.834 4.320 -0.001 0.000 0.238 2061 A C -0.092 177.477 177.584 -0.026 0.000 1.070 2061 A CA -0.110 51.917 52.037 -0.016 0.000 0.770 2061 A CB -0.045 18.945 19.000 -0.018 0.000 1.008 2061 A HN 0.705 nan 8.150 nan 0.000 0.497 2062 V N -0.882 119.022 119.914 -0.017 0.000 3.087 2062 V HA 0.770 4.889 4.120 -0.001 0.000 0.306 2062 V C -1.020 175.071 176.094 -0.004 0.000 1.187 2062 V CA -0.789 61.495 62.300 -0.026 0.000 0.999 2062 V CB 1.808 33.619 31.823 -0.021 0.000 1.049 2062 V HN 0.613 nan 8.190 nan 0.000 0.431 2063 I N 3.141 123.701 120.570 -0.017 0.000 2.714 2063 I HA 0.371 4.540 4.170 -0.001 0.000 0.276 2063 I C -0.052 176.092 176.117 0.045 0.000 1.196 2063 I CA -0.417 60.896 61.300 0.021 0.000 1.068 2063 I CB 1.524 39.522 38.000 -0.003 0.000 1.291 2063 I HN 0.610 nan 8.210 nan 0.000 0.530 2064 V N 1.502 121.467 119.914 0.084 0.000 2.557 2064 V HA -0.017 4.102 4.120 -0.001 0.000 0.301 2064 V C 0.443 176.621 176.094 0.140 0.000 1.026 2064 V CA -0.244 62.113 62.300 0.095 0.000 1.137 2064 V CB 0.413 32.294 31.823 0.096 0.000 0.917 2064 V HN 0.865 nan 8.190 nan 0.000 0.484 2065 C N 5.451 124.826 119.300 0.125 0.000 2.432 2065 C HA 0.595 5.055 4.460 -0.001 0.000 0.334 2065 C C 0.588 175.674 174.990 0.160 0.000 1.155 2065 C CA -0.317 58.792 59.018 0.151 0.000 1.335 2065 C CB 0.723 28.535 27.740 0.121 0.000 1.964 2065 C HN 1.150 nan 8.230 nan 0.000 0.444 2066 S N 3.507 119.323 115.700 0.194 0.000 2.558 2066 S HA 0.101 4.570 4.470 -0.001 0.000 0.287 2066 S C 1.178 175.932 174.600 0.256 0.000 1.321 2066 S CA 1.089 59.410 58.200 0.202 0.000 1.048 2066 S CB 0.884 64.210 63.200 0.210 0.000 0.844 2066 S HN 0.976 nan 8.310 nan 0.000 0.512 2067 T N 2.819 117.506 114.554 0.223 0.000 2.971 2067 T HA 0.472 4.821 4.350 -0.001 0.000 0.252 2067 T C 0.717 175.634 174.700 0.361 0.000 1.022 2067 T CA 1.178 63.399 62.100 0.201 0.000 0.980 2067 T CB -0.914 68.002 68.868 0.081 0.000 1.044 2067 T HN 1.607 nan 8.240 nan 0.000 0.501 2068 G N 1.287 110.269 108.800 0.304 0.000 2.756 2068 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.678 2068 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.678 2068 G C -0.962 174.035 174.900 0.162 0.000 1.349 2068 G CA -0.596 44.650 45.100 0.245 0.000 0.847 2068 G HN 0.340 nan 8.290 nan 0.000 0.548 2069 I N 2.287 122.928 120.570 0.118 0.000 2.371 2069 I HA 0.597 4.766 4.170 -0.001 0.000 0.290 2069 I C 1.071 177.251 176.117 0.105 0.000 1.028 2069 I CA 1.265 62.622 61.300 0.095 0.000 1.345 2069 I CB 0.741 38.779 38.000 0.064 0.000 1.407 2069 I HN 2.238 nan 8.210 nan 0.000 0.501 2070 G N 3.960 112.818 108.800 0.098 0.000 2.785 2070 G HA2 0.032 3.991 3.960 -0.001 0.000 0.686 2070 G HA3 0.032 3.991 3.960 -0.001 0.000 0.686 2070 G C 0.669 175.629 174.900 0.101 0.000 1.155 2070 G CA -0.482 44.675 45.100 0.095 0.000 0.760 2070 G HN 1.053 nan 8.290 nan 0.000 0.624 2071 G N 1.427 110.283 108.800 0.092 0.000 2.475 2071 G HA2 0.018 3.977 3.960 -0.001 0.000 0.220 2071 G HA3 0.018 3.977 3.960 -0.001 0.000 0.220 2071 G C 0.384 175.350 174.900 0.110 0.000 1.125 2071 G CA 1.968 47.123 45.100 0.093 0.000 0.755 2071 G HN 0.804 nan 8.290 nan 0.000 0.565 2072 P HA 0.001 nan 4.420 nan 0.000 0.222 2072 P C 1.977 179.357 177.300 0.133 0.000 1.153 2072 P CA 1.358 64.523 63.100 0.108 0.000 0.798 2072 P CB 0.233 31.985 31.700 0.087 0.000 0.796 2073 S N -0.303 115.501 115.700 0.174 0.000 2.338 2073 S HA -0.097 4.373 4.470 -0.001 0.000 0.218 2073 S C 1.992 176.691 174.600 0.165 0.000 1.032 2073 S CA 2.018 60.404 58.200 0.310 0.000 0.999 2073 S CB -1.351 62.032 63.200 0.305 0.000 0.905 2073 S HN 0.103 nan 8.310 nan 0.000 0.439 2074 T N 1.800 116.399 114.554 0.076 0.000 2.849 2074 T HA -0.044 4.305 4.350 -0.001 0.000 0.270 2074 T C 2.015 176.630 174.700 -0.143 0.000 1.066 2074 T CA 1.350 63.417 62.100 -0.055 0.000 1.130 2074 T CB -0.452 68.398 68.868 -0.029 0.000 0.864 2074 T HN 0.414 nan 8.240 nan 0.000 0.481 2075 S N 1.556 117.225 115.700 -0.051 0.000 2.351 2075 S HA -0.106 4.364 4.470 -0.001 0.000 0.220 2075 S C 2.051 176.576 174.600 -0.126 0.000 1.035 2075 S CA 1.104 59.297 58.200 -0.012 0.000 1.031 2075 S CB -0.410 62.882 63.200 0.153 0.000 0.928 2075 S HN 0.370 nan 8.310 nan 0.000 0.433 2076 I N 2.561 123.023 120.570 -0.180 0.000 2.069 2076 I HA -0.254 3.915 4.170 -0.001 0.000 0.237 2076 I C 2.750 178.578 176.117 -0.482 0.000 1.053 2076 I CA 1.588 62.678 61.300 -0.350 0.000 1.311 2076 I CB -2.229 35.534 38.000 -0.394 0.000 1.030 2076 I HN 0.265 nan 8.210 nan 0.000 0.398 2077 A N 1.568 123.944 122.820 -0.740 0.000 1.941 2077 A HA -0.282 4.038 4.320 -0.001 0.000 0.220 2077 A C 2.536 179.942 177.584 -0.296 0.000 1.407 2077 A CA 3.559 55.221 52.037 -0.625 0.000 0.766 2077 A CB -1.480 17.225 19.000 -0.493 0.000 0.838 2077 A HN 0.270 nan 8.150 nan 0.000 0.482 2078 V N -0.151 119.589 119.914 -0.289 0.000 2.370 2078 V HA -0.297 3.822 4.120 -0.001 0.000 0.252 2078 V C 2.617 178.548 176.094 -0.271 0.000 1.068 2078 V CA 2.762 64.825 62.300 -0.396 0.000 1.061 2078 V CB -0.964 30.419 31.823 -0.732 0.000 0.656 2078 V HN 0.728 nan 8.190 nan 0.000 0.455 2079 E N 0.291 120.351 120.200 -0.234 0.000 2.058 2079 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 2079 E C 2.218 178.772 176.600 -0.077 0.000 0.997 2079 E CA 1.822 58.141 56.400 -0.135 0.000 0.801 2079 E CB -0.177 29.469 29.700 -0.090 0.000 0.746 2079 E HN 0.722 nan 8.360 nan 0.000 0.450 2080 E N -0.202 119.936 120.200 -0.105 0.000 2.051 2080 E HA -0.087 4.262 4.350 -0.001 0.000 0.189 2080 E C 2.360 178.961 176.600 0.001 0.000 0.979 2080 E CA 0.660 57.024 56.400 -0.060 0.000 0.803 2080 E CB -0.194 29.447 29.700 -0.098 0.000 0.761 2080 E HN 0.247 nan 8.360 nan 0.000 0.451 2081 L N 1.056 122.299 121.223 0.034 0.000 2.051 2081 L HA -0.268 4.071 4.340 -0.001 0.000 0.214 2081 L C 2.647 179.601 176.870 0.139 0.000 1.076 2081 L CA 1.281 56.184 54.840 0.105 0.000 0.758 2081 L CB -0.598 41.606 42.059 0.243 0.000 0.890 2081 L HN 0.169 nan 8.230 nan 0.000 0.433 2082 A N 0.231 123.180 122.820 0.215 0.000 1.902 2082 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 2082 A C 2.035 179.669 177.584 0.084 0.000 1.181 2082 A CA 1.545 53.703 52.037 0.202 0.000 0.623 2082 A CB -0.524 18.575 19.000 0.166 0.000 0.818 2082 A HN 0.660 nan 8.150 nan 0.000 0.443 2083 Q N -1.134 118.694 119.800 0.048 0.000 2.373 2083 Q HA 0.239 4.578 4.340 -0.001 0.000 0.206 2083 Q C 0.941 176.954 176.000 0.022 0.000 0.942 2083 Q CA 0.350 56.170 55.803 0.028 0.000 0.953 2083 Q CB -0.099 28.650 28.738 0.018 0.000 1.022 2083 Q HN 0.455 nan 8.270 nan 0.000 0.502 2084 L N -0.981 120.257 121.223 0.024 0.000 2.672 2084 L HA 0.392 4.732 4.340 -0.001 0.000 0.236 2084 L C 1.118 177.989 176.870 0.002 0.000 1.092 2084 L CA 1.274 56.120 54.840 0.010 0.000 0.887 2084 L CB 1.069 43.132 42.059 0.007 0.000 1.168 2084 L HN 0.410 nan 8.230 nan 0.000 0.502 2085 G N -1.226 107.578 108.800 0.007 0.000 3.876 2085 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.203 2085 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.203 2085 G C 0.081 174.963 174.900 -0.030 0.000 1.162 2085 G CA -0.229 44.864 45.100 -0.011 0.000 0.903 2085 G HN -0.064 nan 8.290 nan 0.000 0.390 2086 I N 2.343 122.868 120.570 -0.074 0.000 2.906 2086 I HA 0.074 4.243 4.170 -0.001 0.000 0.302 2086 I C 1.086 177.141 176.117 -0.104 0.000 1.220 2086 I CA 0.865 62.038 61.300 -0.212 0.000 1.441 2086 I CB 0.323 38.013 38.000 -0.518 0.000 1.336 2086 I HN 0.285 nan 8.210 nan 0.000 0.565 2087 R N 3.388 123.812 120.500 -0.127 0.000 2.535 2087 R HA 0.237 4.576 4.340 -0.001 0.000 0.323 2087 R C -0.321 175.987 176.300 0.012 0.000 0.979 2087 R CA 0.030 56.142 56.100 0.020 0.000 1.120 2087 R CB 0.536 30.842 30.300 0.010 0.000 1.306 2087 R HN 0.568 nan 8.270 nan 0.000 0.540 2088 T N 1.021 115.451 114.554 -0.207 0.000 2.971 2088 T HA 0.592 4.941 4.350 -0.001 0.000 0.304 2088 T C -1.144 173.315 174.700 -0.401 0.000 1.038 2088 T CA -0.339 61.681 62.100 -0.133 0.000 1.007 2088 T CB 1.392 70.195 68.868 -0.108 0.000 1.055 2088 T HN -0.147 nan 8.240 nan 0.000 0.451 2089 F N 2.273 122.208 119.950 -0.025 0.000 2.540 2089 F HA 0.658 5.185 4.527 -0.001 0.000 0.317 2089 F C -0.426 175.362 175.800 -0.020 0.000 1.104 2089 F CA -1.220 56.764 58.000 -0.026 0.000 0.913 2089 F CB 1.668 40.644 39.000 -0.039 0.000 1.170 2089 F HN 0.238 nan 8.300 nan 0.000 0.450 2090 L N 3.755 125.054 121.223 0.126 0.000 2.427 2090 L HA 0.496 4.835 4.340 -0.001 0.000 0.264 2090 L C -0.226 176.688 176.870 0.073 0.000 0.989 2090 L CA -0.585 54.299 54.840 0.073 0.000 0.865 2090 L CB 1.779 43.853 42.059 0.026 0.000 1.209 2090 L HN 0.606 nan 8.230 nan 0.000 0.430 2091 R N 3.572 124.115 120.500 0.071 0.000 2.390 2091 R HA 0.588 4.927 4.340 -0.001 0.000 0.291 2091 R C -0.935 175.391 176.300 0.043 0.000 1.070 2091 R CA -0.222 55.913 56.100 0.060 0.000 1.014 2091 R CB 1.320 31.650 30.300 0.050 0.000 1.007 2091 R HN 0.644 nan 8.270 nan 0.000 0.466 2092 I N 3.573 124.170 120.570 0.044 0.000 2.533 2092 I HA 0.665 4.834 4.170 -0.001 0.000 0.290 2092 I C -0.833 175.308 176.117 0.040 0.000 1.056 2092 I CA -0.201 61.120 61.300 0.037 0.000 1.057 2092 I CB 1.896 39.914 38.000 0.029 0.000 1.240 2092 I HN 0.815 nan 8.210 nan 0.000 0.423 2093 G N 3.812 112.637 108.800 0.041 0.000 2.561 2093 G HA2 0.439 4.398 3.960 -0.001 0.000 0.310 2093 G HA3 0.439 4.398 3.960 -0.001 0.000 0.310 2093 G C -1.067 173.862 174.900 0.049 0.000 1.292 2093 G CA -0.140 44.987 45.100 0.045 0.000 0.811 2093 G HN 0.622 nan 8.290 nan 0.000 0.482 2094 T N -2.161 112.427 114.554 0.055 0.000 2.909 2094 T HA 0.689 5.038 4.350 -0.001 0.000 0.286 2094 T C -0.170 174.577 174.700 0.078 0.000 1.002 2094 T CA -0.209 61.929 62.100 0.064 0.000 1.074 2094 T CB 1.868 70.775 68.868 0.064 0.000 0.984 2094 T HN 0.999 nan 8.240 nan 0.000 0.495 2095 T N 0.274 114.875 114.554 0.079 0.000 2.889 2095 T HA 0.633 4.983 4.350 -0.001 0.000 0.315 2095 T C -0.311 174.438 174.700 0.081 0.000 1.291 2095 T CA -0.472 61.676 62.100 0.080 0.000 1.028 2095 T CB 1.306 70.210 68.868 0.059 0.000 1.235 2095 T HN 1.109 nan 8.240 nan 0.000 0.491 2096 G N 1.669 110.519 108.800 0.083 0.000 2.322 2096 G HA2 0.650 4.609 3.960 -0.001 0.000 0.309 2096 G HA3 0.650 4.609 3.960 -0.001 0.000 0.309 2096 G C -0.186 174.763 174.900 0.082 0.000 1.121 2096 G CA -0.255 44.893 45.100 0.080 0.000 0.886 2096 G HN 0.960 nan 8.290 nan 0.000 0.447 2097 A N 2.141 124.999 122.820 0.064 0.000 2.304 2097 A HA 0.686 5.005 4.320 -0.001 0.000 0.301 2097 A C 0.961 178.570 177.584 0.042 0.000 1.132 2097 A CA -0.737 51.321 52.037 0.035 0.000 0.819 2097 A CB 0.758 19.778 19.000 0.033 0.000 1.094 2097 A HN 0.646 nan 8.150 nan 0.000 0.492 2098 I N 0.010 120.580 120.570 0.000 0.000 2.729 2098 I HA -0.009 4.160 4.170 -0.001 0.000 0.256 2098 I C 0.497 176.618 176.117 0.006 0.000 1.115 2098 I CA 0.099 61.411 61.300 0.019 0.000 1.446 2098 I CB -0.386 37.592 38.000 -0.037 0.000 1.176 2098 I HN 0.514 nan 8.210 nan 0.000 0.446 2099 Q N 2.390 122.176 119.800 -0.024 0.000 2.330 2099 Q HA 0.030 4.370 4.340 -0.001 0.000 0.279 2099 Q C -1.683 174.293 176.000 -0.039 0.000 1.024 2099 Q CA -0.963 54.816 55.803 -0.039 0.000 0.900 2099 Q CB 0.309 29.010 28.738 -0.060 0.000 1.221 2099 Q HN 0.080 nan 8.270 nan 0.000 0.396 2100 P HA -0.130 nan 4.420 nan 0.000 0.217 2100 P C 0.623 177.882 177.300 -0.067 0.000 1.150 2100 P CA 1.444 64.476 63.100 -0.113 0.000 0.832 2100 P CB 0.149 31.709 31.700 -0.232 0.000 0.787 2101 H N -2.199 116.850 119.070 -0.035 0.000 2.548 2101 H HA 0.097 4.652 4.556 -0.001 0.000 0.268 2101 H C 0.253 175.552 175.328 -0.049 0.000 0.975 2101 H CA -0.630 55.395 56.048 -0.038 0.000 1.195 2101 H CB -0.076 29.654 29.762 -0.054 0.000 1.397 2101 H HN 0.050 nan 8.280 nan 0.000 0.572 2102 I N 2.211 122.801 120.570 0.033 0.000 2.452 2102 I HA -0.050 4.120 4.170 -0.001 0.000 0.287 2102 I C 0.037 176.207 176.117 0.088 0.000 1.079 2102 I CA 0.103 61.415 61.300 0.019 0.000 1.387 2102 I CB 0.400 38.387 38.000 -0.021 0.000 1.404 2102 I HN 0.162 nan 8.210 nan 0.000 0.522 2103 N N 4.483 123.262 118.700 0.131 0.000 2.466 2103 N HA 0.423 5.162 4.740 -0.001 0.000 0.294 2103 N C -0.841 174.728 175.510 0.099 0.000 1.129 2103 N CA -0.616 52.498 53.050 0.106 0.000 0.931 2103 N CB 1.565 40.115 38.487 0.104 0.000 1.193 2103 N HN 0.187 nan 8.380 nan 0.000 0.500 2104 V N 1.115 121.077 119.914 0.081 0.000 2.599 2104 V HA 0.301 4.420 4.120 -0.001 0.000 0.300 2104 V C 1.553 177.696 176.094 0.083 0.000 1.034 2104 V CA 1.280 63.626 62.300 0.076 0.000 1.115 2104 V CB 0.130 31.991 31.823 0.063 0.000 0.934 2104 V HN 1.007 nan 8.190 nan 0.000 0.485 2105 G N 3.637 112.493 108.800 0.093 0.000 2.308 2105 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.221 2105 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.221 2105 G C -0.002 174.989 174.900 0.150 0.000 1.032 2105 G CA -0.004 45.172 45.100 0.126 0.000 0.623 2105 G HN 0.675 nan 8.290 nan 0.000 0.506 2106 D N 0.446 120.908 120.400 0.103 0.000 2.419 2106 D HA 0.389 5.028 4.640 -0.001 0.000 0.236 2106 D C 0.434 176.758 176.300 0.039 0.000 1.165 2106 D CA 0.311 54.345 54.000 0.057 0.000 0.882 2106 D CB 1.743 42.619 40.800 0.126 0.000 1.201 2106 D HN 0.398 nan 8.370 nan 0.000 0.443 2107 V N 2.674 122.559 119.914 -0.048 0.000 2.532 2107 V HA 0.453 4.572 4.120 -0.001 0.000 0.295 2107 V C -0.597 175.489 176.094 -0.013 0.000 1.041 2107 V CA -0.585 61.695 62.300 -0.035 0.000 0.926 2107 V CB 1.131 32.895 31.823 -0.099 0.000 0.992 2107 V HN 0.321 nan 8.190 nan 0.000 0.457 2108 L N 6.463 127.699 121.223 0.021 0.000 2.362 2108 L HA 0.658 4.998 4.340 -0.001 0.000 0.275 2108 L C -0.952 175.929 176.870 0.018 0.000 0.998 2108 L CA -0.888 53.976 54.840 0.041 0.000 0.820 2108 L CB 2.086 44.181 42.059 0.059 0.000 1.270 2108 L HN 0.343 nan 8.230 nan 0.000 0.415 2109 V N 0.935 120.859 119.914 0.017 0.000 2.459 2109 V HA 0.405 4.524 4.120 -0.001 0.000 0.295 2109 V C 0.119 176.219 176.094 0.011 0.000 1.029 2109 V CA -0.514 61.790 62.300 0.006 0.000 0.874 2109 V CB 1.747 33.566 31.823 -0.006 0.000 0.985 2109 V HN 0.737 nan 8.190 nan 0.000 0.438 2110 T N 3.073 117.631 114.554 0.005 0.000 2.744 2110 T HA 0.277 4.626 4.350 -0.001 0.000 0.291 2110 T C 1.235 175.939 174.700 0.007 0.000 0.957 2110 T CA 0.167 62.267 62.100 -0.000 0.000 1.002 2110 T CB 1.339 70.203 68.868 -0.007 0.000 0.919 2110 T HN 0.984 nan 8.240 nan 0.000 0.468 2111 T N 1.034 115.593 114.554 0.008 0.000 2.866 2111 T HA 0.498 4.848 4.350 -0.001 0.000 0.250 2111 T C 0.780 175.486 174.700 0.009 0.000 1.033 2111 T CA 0.282 62.396 62.100 0.023 0.000 1.145 2111 T CB 0.130 69.015 68.868 0.028 0.000 0.866 2111 T HN 0.724 nan 8.240 nan 0.000 0.434 2112 A N 0.643 123.455 122.820 -0.013 0.000 2.609 2112 A HA 0.732 5.051 4.320 -0.001 0.000 0.291 2112 A C -0.792 176.762 177.584 -0.050 0.000 1.096 2112 A CA -0.622 51.400 52.037 -0.025 0.000 0.684 2112 A CB 1.432 20.412 19.000 -0.032 0.000 1.282 2112 A HN 0.769 nan 8.150 nan 0.000 0.412 2113 S N -0.508 115.158 115.700 -0.056 0.000 2.599 2113 S HA 0.730 5.199 4.470 -0.001 0.000 0.287 2113 S C -0.579 173.953 174.600 -0.114 0.000 1.105 2113 S CA -0.757 57.385 58.200 -0.098 0.000 0.899 2113 S CB 1.173 64.324 63.200 -0.081 0.000 1.100 2113 S HN 1.144 nan 8.310 nan 0.000 0.482 2114 V N 1.916 121.703 119.914 -0.211 0.000 2.637 2114 V HA 0.239 4.359 4.120 -0.001 0.000 0.296 2114 V C 0.561 176.588 176.094 -0.112 0.000 1.046 2114 V CA -0.193 61.965 62.300 -0.236 0.000 1.066 2114 V CB 0.140 31.597 31.823 -0.611 0.000 0.968 2114 V HN 0.784 nan 8.190 nan 0.000 0.483 2115 R N 5.465 125.955 120.500 -0.017 0.000 2.220 2115 R HA 0.437 4.776 4.340 -0.001 0.000 0.340 2115 R C -0.284 176.080 176.300 0.107 0.000 1.076 2115 R CA -0.177 55.951 56.100 0.047 0.000 0.920 2115 R CB 0.308 30.649 30.300 0.068 0.000 1.062 2115 R HN 0.636 nan 8.270 nan 0.000 0.469 2116 L N 2.539 123.835 121.223 0.123 0.000 3.288 2116 L HA 0.242 4.581 4.340 -0.001 0.000 0.293 2116 L C -0.087 176.880 176.870 0.163 0.000 1.294 2116 L CA -0.412 54.558 54.840 0.217 0.000 1.006 2116 L CB -0.368 41.849 42.059 0.263 0.000 1.407 2116 L HN 0.619 nan 8.230 nan 0.000 0.592 2117 D N -0.839 119.639 120.400 0.131 0.000 2.723 2117 D HA 0.451 5.090 4.640 -0.001 0.000 0.247 2117 D C 0.598 176.971 176.300 0.122 0.000 1.134 2117 D CA 0.037 54.108 54.000 0.118 0.000 1.099 2117 D CB 1.875 42.739 40.800 0.107 0.000 1.287 2117 D HN -0.083 nan 8.370 nan 0.000 0.634 2118 G N -1.331 107.550 108.800 0.135 0.000 2.597 2118 G HA2 0.285 4.244 3.960 -0.001 0.000 0.196 2118 G HA3 0.285 4.244 3.960 -0.001 0.000 0.196 2118 G C 1.241 176.259 174.900 0.197 0.000 1.176 2118 G CA 0.741 45.918 45.100 0.129 0.000 0.747 2118 G HN 0.627 nan 8.290 nan 0.000 0.821 2119 A N 1.247 124.242 122.820 0.293 0.000 1.940 2119 A HA -0.017 4.302 4.320 -0.001 0.000 0.219 2119 A C 2.545 180.362 177.584 0.387 0.000 1.176 2119 A CA 2.460 54.749 52.037 0.420 0.000 0.631 2119 A CB -0.803 18.378 19.000 0.301 0.000 0.814 2119 A HN 0.608 nan 8.150 nan 0.000 0.446 2120 S N -0.021 115.834 115.700 0.259 0.000 2.380 2120 S HA -0.198 4.271 4.470 -0.001 0.000 0.229 2120 S C 1.836 176.548 174.600 0.185 0.000 1.043 2120 S CA 1.842 60.180 58.200 0.230 0.000 1.038 2120 S CB -0.605 62.676 63.200 0.136 0.000 0.872 2120 S HN 0.526 nan 8.310 nan 0.000 0.456 2121 L N 0.376 121.620 121.223 0.034 0.000 2.291 2121 L HA 0.019 4.359 4.340 -0.001 0.000 0.214 2121 L C 1.826 178.549 176.870 -0.246 0.000 1.120 2121 L CA 0.866 55.638 54.840 -0.115 0.000 0.799 2121 L CB -0.767 41.172 42.059 -0.200 0.000 0.925 2121 L HN 0.410 nan 8.230 nan 0.000 0.446 2122 H N -0.991 118.001 119.070 -0.128 0.000 2.556 2122 H HA 0.076 4.631 4.556 -0.001 0.000 0.273 2122 H C 0.900 175.786 175.328 -0.736 0.000 1.030 2122 H CA 0.758 56.571 56.048 -0.393 0.000 1.156 2122 H CB 0.168 29.650 29.762 -0.467 0.000 1.326 2122 H HN 0.395 nan 8.280 nan 0.000 0.609 2123 F N -0.918 119.027 119.950 -0.009 0.000 2.557 2123 F HA 0.447 4.974 4.527 -0.001 0.000 0.300 2123 F C 0.767 176.478 175.800 -0.149 0.000 0.867 2123 F CA 0.031 57.989 58.000 -0.071 0.000 1.085 2123 F CB 0.962 39.915 39.000 -0.079 0.000 0.907 2123 F HN 0.015 nan 8.300 nan 0.000 0.700 2124 A N 0.037 122.871 122.820 0.023 0.000 2.589 2124 A HA 0.683 5.003 4.320 -0.001 0.000 0.296 2124 A C -2.858 174.720 177.584 -0.010 0.000 1.062 2124 A CA -1.478 50.496 52.037 -0.104 0.000 0.686 2124 A CB 0.566 19.333 19.000 -0.388 0.000 1.282 2124 A HN -0.158 nan 8.150 nan 0.000 0.404 2125 P HA 0.088 nan 4.420 nan 0.000 0.269 2125 P C 0.929 178.299 177.300 0.116 0.000 1.211 2125 P CA -0.144 62.990 63.100 0.056 0.000 0.781 2125 P CB 0.371 32.111 31.700 0.066 0.000 0.877 2126 M N 1.173 120.825 119.600 0.086 0.000 2.659 2126 M HA -0.080 4.399 4.480 -0.001 0.000 0.243 2126 M C 1.291 177.651 176.300 0.100 0.000 1.111 2126 M CA 1.185 56.544 55.300 0.097 0.000 1.070 2126 M CB -0.263 32.377 32.600 0.067 0.000 1.525 2126 M HN 0.410 nan 8.290 nan 0.000 0.517 2127 E N -0.299 119.965 120.200 0.106 0.000 2.230 2127 E HA -0.064 4.286 4.350 -0.001 0.000 0.192 2127 E C 0.622 177.277 176.600 0.091 0.000 0.987 2127 E CA 0.151 56.599 56.400 0.079 0.000 0.841 2127 E CB -0.589 29.152 29.700 0.068 0.000 0.783 2127 E HN 0.338 nan 8.360 nan 0.000 0.481 2128 F N 4.719 124.677 119.950 0.013 0.000 2.518 2128 F HA 0.181 4.707 4.527 -0.002 0.000 0.359 2128 F C -1.974 173.833 175.800 0.011 0.000 1.118 2128 F CA -2.168 55.840 58.000 0.013 0.000 1.287 2128 F CB 0.598 39.610 39.000 0.019 0.000 1.132 2128 F HN -0.165 nan 8.300 nan 0.000 0.587 2129 P HA 0.204 nan 4.420 nan 0.000 0.281 2129 P C -1.505 175.776 177.300 -0.031 0.000 1.249 2129 P CA -0.538 62.409 63.100 -0.254 0.000 0.810 2129 P CB 1.390 32.890 31.700 -0.333 0.000 1.008 2130 A N 2.867 125.702 122.820 0.025 0.000 3.157 2130 A HA 0.320 4.639 4.320 -0.001 0.000 0.276 2130 A C -0.007 177.587 177.584 0.016 0.000 1.524 2130 A CA -0.473 51.602 52.037 0.063 0.000 1.236 2130 A CB -0.731 18.294 19.000 0.041 0.000 1.173 2130 A HN 0.409 nan 8.150 nan 0.000 0.595 2131 V N 1.649 121.568 119.914 0.009 0.000 2.427 2131 V HA 0.654 4.773 4.120 -0.001 0.000 0.286 2131 V C 0.605 176.718 176.094 0.032 0.000 1.034 2131 V CA -0.275 62.023 62.300 -0.003 0.000 0.893 2131 V CB 1.278 33.073 31.823 -0.047 0.000 0.982 2131 V HN 0.841 nan 8.190 nan 0.000 0.452 2132 A N 5.095 127.936 122.820 0.035 0.000 2.388 2132 A HA 0.289 4.608 4.320 -0.001 0.000 0.257 2132 A C 0.328 177.956 177.584 0.075 0.000 1.095 2132 A CA -0.314 51.751 52.037 0.047 0.000 0.791 2132 A CB 0.198 19.219 19.000 0.036 0.000 1.029 2132 A HN 0.938 nan 8.150 nan 0.000 0.489 2133 D N 1.681 122.126 120.400 0.074 0.000 2.487 2133 D HA -0.082 4.557 4.640 -0.001 0.000 0.243 2133 D C 0.785 177.156 176.300 0.118 0.000 1.154 2133 D CA 0.056 54.114 54.000 0.097 0.000 0.876 2133 D CB 0.163 41.007 40.800 0.074 0.000 1.161 2133 D HN 0.439 nan 8.370 nan 0.000 0.478 2134 F N 4.693 124.646 119.950 0.004 0.000 2.043 2134 F HA -0.258 4.268 4.527 -0.001 0.000 0.297 2134 F C 2.216 178.017 175.800 0.001 0.000 1.121 2134 F CA 2.048 60.047 58.000 -0.000 0.000 1.199 2134 F CB -0.804 38.195 39.000 -0.003 0.000 0.968 2134 F HN 0.552 nan 8.300 nan 0.000 0.478 2135 A N -0.465 122.282 122.820 -0.122 0.000 1.903 2135 A HA -0.303 4.016 4.320 -0.001 0.000 0.219 2135 A C 2.423 179.896 177.584 -0.184 0.000 1.191 2135 A CA 2.236 54.155 52.037 -0.197 0.000 0.638 2135 A CB -1.708 17.262 19.000 -0.050 0.000 0.823 2135 A HN 0.600 nan 8.150 nan 0.000 0.451 2136 C N -1.203 118.041 119.300 -0.093 0.000 2.457 2136 C HA -0.029 4.431 4.460 -0.001 0.000 0.278 2136 C C 2.999 177.933 174.990 -0.094 0.000 1.309 2136 C CA 1.282 60.259 59.018 -0.068 0.000 1.735 2136 C CB -1.544 26.188 27.740 -0.014 0.000 1.992 2136 C HN 0.681 nan 8.230 nan 0.000 0.493 2137 T N 1.533 116.022 114.554 -0.109 0.000 2.708 2137 T HA -0.172 4.178 4.350 -0.001 0.000 0.266 2137 T C 1.890 176.481 174.700 -0.182 0.000 1.037 2137 T CA 2.310 64.351 62.100 -0.099 0.000 1.146 2137 T CB -0.728 68.121 68.868 -0.031 0.000 0.865 2137 T HN 0.790 nan 8.240 nan 0.000 0.435 2138 T N 1.676 116.012 114.554 -0.363 0.000 2.737 2138 T HA 0.033 4.382 4.350 -0.001 0.000 0.265 2138 T C 2.381 176.956 174.700 -0.208 0.000 1.038 2138 T CA 1.040 62.916 62.100 -0.372 0.000 1.144 2138 T CB -0.827 67.661 68.868 -0.633 0.000 0.866 2138 T HN 0.369 nan 8.240 nan 0.000 0.434 2139 A N 1.924 124.637 122.820 -0.179 0.000 1.883 2139 A HA 0.032 4.352 4.320 -0.001 0.000 0.217 2139 A C 2.475 180.006 177.584 -0.087 0.000 1.186 2139 A CA 1.634 53.603 52.037 -0.113 0.000 0.624 2139 A CB -1.092 17.854 19.000 -0.090 0.000 0.822 2139 A HN 0.518 nan 8.150 nan 0.000 0.444 2140 L N -0.568 120.606 121.223 -0.081 0.000 1.994 2140 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 2140 L C 2.561 179.393 176.870 -0.064 0.000 1.071 2140 L CA 1.398 56.202 54.840 -0.060 0.000 0.745 2140 L CB -0.680 41.352 42.059 -0.046 0.000 0.892 2140 L HN 0.263 nan 8.230 nan 0.000 0.431 2141 V N -0.348 119.522 119.914 -0.073 0.000 2.392 2141 V HA -0.308 3.812 4.120 -0.001 0.000 0.249 2141 V C 2.403 178.456 176.094 -0.069 0.000 1.059 2141 V CA 1.887 64.147 62.300 -0.067 0.000 1.051 2141 V CB -0.558 31.228 31.823 -0.062 0.000 0.658 2141 V HN 0.458 nan 8.190 nan 0.000 0.455 2142 E N 0.190 120.345 120.200 -0.076 0.000 2.031 2142 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 2142 E C 2.295 178.860 176.600 -0.058 0.000 0.994 2142 E CA 1.327 57.687 56.400 -0.067 0.000 0.800 2142 E CB -0.298 29.358 29.700 -0.073 0.000 0.752 2142 E HN 0.574 nan 8.360 nan 0.000 0.447 2143 A N 0.901 123.686 122.820 -0.057 0.000 2.070 2143 A HA -0.105 4.215 4.320 -0.001 0.000 0.220 2143 A C 2.244 179.795 177.584 -0.054 0.000 1.159 2143 A CA 1.497 53.505 52.037 -0.048 0.000 0.656 2143 A CB -0.560 18.414 19.000 -0.042 0.000 0.800 2143 A HN 0.375 nan 8.150 nan 0.000 0.453 2144 A N 0.239 123.019 122.820 -0.066 0.000 1.865 2144 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 2144 A C 2.112 179.639 177.584 -0.094 0.000 1.191 2144 A CA 2.095 54.080 52.037 -0.087 0.000 0.623 2144 A CB -0.482 18.462 19.000 -0.093 0.000 0.826 2144 A HN 0.520 nan 8.150 nan 0.000 0.444 2145 K N -0.245 120.109 120.400 -0.078 0.000 2.365 2145 K HA -0.033 4.286 4.320 -0.001 0.000 0.199 2145 K C 1.939 178.507 176.600 -0.054 0.000 1.045 2145 K CA 1.022 57.268 56.287 -0.069 0.000 0.962 2145 K CB -0.151 32.314 32.500 -0.057 0.000 0.759 2145 K HN 0.407 nan 8.250 nan 0.000 0.469 2146 S N 0.179 115.850 115.700 -0.048 0.000 2.537 2146 S HA -0.026 4.444 4.470 -0.001 0.000 0.240 2146 S C 1.288 175.871 174.600 -0.028 0.000 0.981 2146 S CA 0.739 58.917 58.200 -0.035 0.000 0.948 2146 S CB -0.051 63.129 63.200 -0.033 0.000 0.759 2146 S HN 0.351 nan 8.310 nan 0.000 0.531 2147 I N -1.202 119.346 120.570 -0.036 0.000 4.774 2147 I HA 0.290 4.460 4.170 -0.001 0.000 0.330 2147 I C 1.538 177.638 176.117 -0.029 0.000 1.287 2147 I CA 0.885 62.173 61.300 -0.020 0.000 1.311 2147 I CB -0.213 37.786 38.000 -0.002 0.000 1.315 2147 I HN 0.410 nan 8.210 nan 0.000 0.459 2148 G N 2.359 111.121 108.800 -0.062 0.000 2.134 2148 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.209 2148 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.209 2148 G C 0.488 175.316 174.900 -0.119 0.000 0.993 2148 G CA 0.105 45.164 45.100 -0.068 0.000 0.669 2148 G HN 0.586 nan 8.290 nan 0.000 0.519 2149 A N -0.043 122.651 122.820 -0.211 0.000 2.366 2149 A HA 0.662 4.981 4.320 -0.001 0.000 0.249 2149 A C 0.841 178.272 177.584 -0.256 0.000 1.084 2149 A CA 1.024 52.841 52.037 -0.368 0.000 0.794 2149 A CB 0.342 19.003 19.000 -0.565 0.000 1.034 2149 A HN 0.831 nan 8.150 nan 0.000 0.491 2150 T N 2.899 117.304 114.554 -0.248 0.000 2.863 2150 T HA 0.405 4.754 4.350 -0.001 0.000 0.299 2150 T C 0.244 174.723 174.700 -0.369 0.000 0.973 2150 T CA 0.153 62.105 62.100 -0.246 0.000 0.994 2150 T CB -0.254 68.523 68.868 -0.151 0.000 0.961 2150 T HN 0.684 nan 8.240 nan 0.000 0.552 2151 T N 3.531 117.841 114.554 -0.406 0.000 2.936 2151 T HA 0.518 4.867 4.350 -0.001 0.000 0.282 2151 T C -0.458 173.868 174.700 -0.624 0.000 1.003 2151 T CA -0.808 61.062 62.100 -0.384 0.000 1.005 2151 T CB 0.929 69.673 68.868 -0.207 0.000 1.097 2151 T HN 0.520 nan 8.240 nan 0.000 0.532 2152 H N -0.637 118.418 119.070 -0.025 0.000 3.038 2152 H HA 0.508 5.063 4.556 -0.001 0.000 0.362 2152 H C -1.352 173.967 175.328 -0.015 0.000 1.167 2152 H CA -0.482 55.557 56.048 -0.015 0.000 1.197 2152 H CB 1.506 31.264 29.762 -0.007 0.000 1.840 2152 H HN 0.310 nan 8.280 nan 0.000 0.540 2153 V N 1.116 121.100 119.914 0.116 0.000 2.680 2153 V HA 0.883 5.002 4.120 -0.001 0.000 0.309 2153 V C 0.566 176.687 176.094 0.046 0.000 1.052 2153 V CA -0.152 62.183 62.300 0.059 0.000 0.908 2153 V CB 1.696 33.543 31.823 0.040 0.000 1.001 2153 V HN 1.094 nan 8.190 nan 0.000 0.431 2154 G N 1.950 110.765 108.800 0.024 0.000 2.333 2154 G HA2 0.354 4.313 3.960 -0.001 0.000 0.288 2154 G HA3 0.354 4.313 3.960 -0.001 0.000 0.288 2154 G C -1.435 173.452 174.900 -0.021 0.000 1.286 2154 G CA -0.527 44.574 45.100 0.003 0.000 0.865 2154 G HN 0.589 nan 8.290 nan 0.000 0.506 2155 V N 0.924 120.812 119.914 -0.043 0.000 2.614 2155 V HA 0.520 4.639 4.120 -0.001 0.000 0.291 2155 V C 0.700 176.722 176.094 -0.119 0.000 1.049 2155 V CA 0.286 62.539 62.300 -0.079 0.000 1.038 2155 V CB 1.097 32.864 31.823 -0.093 0.000 0.980 2155 V HN 0.823 nan 8.190 nan 0.000 0.481 2156 T N 3.578 118.052 114.554 -0.133 0.000 2.940 2156 T HA 0.695 5.044 4.350 -0.001 0.000 0.288 2156 T C -0.100 174.448 174.700 -0.253 0.000 1.033 2156 T CA -0.318 61.683 62.100 -0.165 0.000 1.033 2156 T CB 1.725 70.537 68.868 -0.093 0.000 1.079 2156 T HN 0.887 nan 8.240 nan 0.000 0.496 2157 A N 1.630 124.250 122.820 -0.333 0.000 2.267 2157 A HA 0.607 4.926 4.320 -0.001 0.000 0.315 2157 A C 0.046 177.550 177.584 -0.134 0.000 1.297 2157 A CA -0.646 51.142 52.037 -0.416 0.000 0.865 2157 A CB 0.396 18.908 19.000 -0.814 0.000 1.165 2157 A HN 0.641 nan 8.150 nan 0.000 0.513 2158 S N 1.953 117.603 115.700 -0.082 0.000 2.464 2158 S HA 0.357 4.826 4.470 -0.001 0.000 0.313 2158 S C 0.333 174.959 174.600 0.044 0.000 1.078 2158 S CA -0.234 57.968 58.200 0.004 0.000 1.096 2158 S CB 0.639 63.839 63.200 0.001 0.000 1.032 2158 S HN 0.753 nan 8.310 nan 0.000 0.498 2159 S N 1.368 117.100 115.700 0.054 0.000 2.585 2159 S HA 0.248 4.718 4.470 -0.001 0.000 0.277 2159 S C 0.431 175.025 174.600 -0.010 0.000 1.241 2159 S CA -0.642 57.558 58.200 0.000 0.000 1.041 2159 S CB 0.798 63.927 63.200 -0.117 0.000 0.987 2159 S HN 0.561 nan 8.310 nan 0.000 0.512 2160 D N 1.607 121.999 120.400 -0.013 0.000 2.328 2160 D HA 0.161 4.801 4.640 -0.001 0.000 0.226 2160 D C 0.032 176.332 176.300 0.001 0.000 1.066 2160 D CA 0.460 54.473 54.000 0.022 0.000 0.861 2160 D CB 0.189 41.023 40.800 0.057 0.000 0.912 2160 D HN 0.675 nan 8.370 nan 0.000 0.521 2161 T N -3.636 110.878 114.554 -0.066 0.000 2.993 2161 T HA 0.200 4.550 4.350 -0.001 0.000 0.312 2161 T C 0.463 175.104 174.700 -0.097 0.000 1.115 2161 T CA -0.812 61.265 62.100 -0.039 0.000 1.027 2161 T CB 0.823 69.650 68.868 -0.068 0.000 1.116 2161 T HN -0.161 nan 8.240 nan 0.000 0.464 2162 F N 1.441 121.293 119.950 -0.162 0.000 2.146 2162 F HA 0.074 4.600 4.527 -0.001 0.000 0.298 2162 F C 1.178 176.680 175.800 -0.497 0.000 1.096 2162 F CA 1.177 58.972 58.000 -0.342 0.000 1.275 2162 F CB -0.171 38.585 39.000 -0.407 0.000 1.008 2162 F HN 0.726 nan 8.300 nan 0.000 0.480 2163 Y N 0.433 120.709 120.300 -0.040 0.000 2.217 2163 Y HA 0.108 4.657 4.550 -0.001 0.000 0.286 2163 Y C -0.354 175.394 175.900 -0.253 0.000 1.117 2163 Y CA 0.633 58.660 58.100 -0.122 0.000 1.113 2163 Y CB -2.217 36.254 38.460 0.019 0.000 1.053 2163 Y HN -0.113 nan 8.280 nan 0.000 0.501 2164 P HA -0.089 nan 4.420 nan 0.000 0.217 2164 P C 1.530 178.582 177.300 -0.413 0.000 1.150 2164 P CA 2.210 65.205 63.100 -0.175 0.000 0.832 2164 P CB -0.107 31.539 31.700 -0.091 0.000 0.787 2165 G N -0.023 108.415 108.800 -0.603 0.000 2.484 2165 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.218 2165 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.218 2165 G C 1.291 175.784 174.900 -0.677 0.000 1.130 2165 G CA 0.242 44.721 45.100 -1.036 0.000 0.784 2165 G HN 0.390 nan 8.290 nan 0.000 0.543 2166 Q N -0.219 119.143 119.800 -0.729 0.000 2.186 2166 Q HA 0.236 4.575 4.340 -0.001 0.000 0.241 2166 Q C -0.332 175.203 176.000 -0.776 0.000 0.849 2166 Q CA -0.346 54.661 55.803 -1.327 0.000 1.053 2166 Q CB 0.554 28.451 28.738 -1.401 0.000 1.146 2166 Q HN 0.553 nan 8.270 nan 0.000 0.475 2167 E N 2.123 122.100 120.200 -0.372 0.000 2.272 2167 E HA -0.244 4.105 4.350 -0.001 0.000 0.160 2167 E C -0.967 175.551 176.600 -0.136 0.000 1.627 2167 E CA 0.273 56.567 56.400 -0.176 0.000 0.641 2167 E CB -0.174 29.565 29.700 0.064 0.000 1.060 2167 E HN 0.323 nan 8.360 nan 0.000 0.324 2168 R N 1.233 121.622 120.500 -0.184 0.000 2.393 2168 R HA 0.237 4.576 4.340 -0.001 0.000 0.310 2168 R C 0.040 176.322 176.300 -0.030 0.000 0.968 2168 R CA -0.396 55.697 56.100 -0.011 0.000 0.867 2168 R CB 0.693 31.015 30.300 0.038 0.000 1.124 2168 R HN 0.302 nan 8.270 nan 0.000 0.450 2169 Y N -0.293 120.054 120.300 0.079 0.000 2.462 2169 Y HA 0.079 4.628 4.550 -0.002 0.000 0.253 2169 Y C 0.508 176.449 175.900 0.069 0.000 1.095 2169 Y CA -0.018 58.120 58.100 0.064 0.000 1.283 2169 Y CB 0.672 39.156 38.460 0.039 0.000 1.138 2169 Y HN 0.483 nan 8.280 nan 0.000 0.522 2170 D N 1.043 121.587 120.400 0.240 0.000 2.977 2170 D HA 0.034 4.673 4.640 -0.001 0.000 0.241 2170 D C 0.639 177.024 176.300 0.141 0.000 1.206 2170 D CA 0.271 54.375 54.000 0.174 0.000 0.902 2170 D CB -0.399 40.501 40.800 0.167 0.000 1.131 2170 D HN 0.280 nan 8.370 nan 0.000 0.447 2171 T N -4.027 110.580 114.554 0.088 0.000 2.876 2171 T HA 0.198 4.548 4.350 -0.001 0.000 0.277 2171 T C 1.298 176.014 174.700 0.026 0.000 0.997 2171 T CA -0.815 61.274 62.100 -0.019 0.000 0.966 2171 T CB 0.669 69.477 68.868 -0.100 0.000 1.312 2171 T HN 0.153 nan 8.240 nan 0.000 0.598 2172 Y N 1.253 121.487 120.300 -0.110 0.000 2.030 2172 Y HA -0.225 4.324 4.550 -0.001 0.000 0.274 2172 Y C 2.871 178.753 175.900 -0.029 0.000 1.153 2172 Y CA 2.730 60.791 58.100 -0.066 0.000 1.115 2172 Y CB -0.562 37.850 38.460 -0.080 0.000 0.969 2172 Y HN 0.753 nan 8.280 nan 0.000 0.488 2173 S N -0.979 114.498 115.700 -0.373 0.000 2.371 2173 S HA 0.081 4.550 4.470 -0.001 0.000 0.224 2173 S C 1.849 176.342 174.600 -0.179 0.000 1.029 2173 S CA 0.947 58.899 58.200 -0.415 0.000 0.978 2173 S CB -0.571 62.494 63.200 -0.225 0.000 0.833 2173 S HN 1.149 nan 8.310 nan 0.000 0.466 2174 G N 1.368 110.128 108.800 -0.067 0.000 2.175 2174 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.244 2174 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.244 2174 G C 0.034 175.005 174.900 0.118 0.000 0.982 2174 G CA 0.088 45.215 45.100 0.044 0.000 0.641 2174 G HN 0.968 nan 8.290 nan 0.000 0.527 2175 R N -0.814 119.696 120.500 0.017 0.000 2.873 2175 R HA 0.875 5.215 4.340 -0.001 0.000 0.264 2175 R C -0.699 175.537 176.300 -0.107 0.000 1.026 2175 R CA -1.065 55.053 56.100 0.029 0.000 1.002 2175 R CB 1.646 31.968 30.300 0.036 0.000 1.174 2175 R HN 0.442 nan 8.270 nan 0.000 0.488 2176 V N 1.305 121.160 119.914 -0.099 0.000 2.638 2176 V HA 0.332 4.452 4.120 -0.001 0.000 0.306 2176 V C -0.288 175.818 176.094 0.020 0.000 1.052 2176 V CA -1.262 60.971 62.300 -0.112 0.000 0.885 2176 V CB 1.787 33.443 31.823 -0.277 0.000 0.999 2176 V HN 0.721 nan 8.190 nan 0.000 0.424 2177 V N 6.808 126.761 119.914 0.065 0.000 2.625 2177 V HA -0.005 4.114 4.120 -0.001 0.000 0.305 2177 V C 2.091 178.223 176.094 0.063 0.000 1.055 2177 V CA 0.874 63.221 62.300 0.079 0.000 1.209 2177 V CB 0.451 32.347 31.823 0.123 0.000 0.877 2177 V HN 1.051 nan 8.190 nan 0.000 0.489 2178 R N 5.490 126.007 120.500 0.028 0.000 2.178 2178 R HA -0.286 4.053 4.340 -0.001 0.000 0.257 2178 R C 1.986 178.256 176.300 -0.051 0.000 1.163 2178 R CA 2.468 58.569 56.100 0.002 0.000 0.981 2178 R CB -0.734 29.560 30.300 -0.009 0.000 0.878 2178 R HN 0.884 nan 8.270 nan 0.000 0.454 2179 R N 0.223 120.666 120.500 -0.095 0.000 2.096 2179 R HA -0.163 4.176 4.340 -0.001 0.000 0.240 2179 R C 1.412 177.452 176.300 -0.433 0.000 1.139 2179 R CA 2.197 58.131 56.100 -0.277 0.000 0.952 2179 R CB -0.402 29.688 30.300 -0.350 0.000 0.854 2179 R HN 0.390 nan 8.270 nan 0.000 0.436 2180 F N 0.517 120.473 119.950 0.010 0.000 2.765 2180 F HA 0.235 4.763 4.527 0.000 0.000 0.302 2180 F C 0.571 176.366 175.800 -0.009 0.000 1.111 2180 F CA -0.291 57.718 58.000 0.014 0.000 1.359 2180 F CB 0.366 39.380 39.000 0.022 0.000 1.097 2180 F HN -0.060 nan 8.300 nan 0.000 0.577 2181 K N 0.246 120.696 120.400 0.083 0.000 2.339 2181 K HA 0.407 4.726 4.320 -0.001 0.000 0.286 2181 K C 1.177 177.801 176.600 0.041 0.000 1.050 2181 K CA 0.898 57.246 56.287 0.102 0.000 0.956 2181 K CB 0.544 33.099 32.500 0.092 0.000 0.990 2181 K HN 0.256 nan 8.250 nan 0.000 0.475 2182 G N 2.273 111.117 108.800 0.074 0.000 2.284 2182 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.247 2182 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.247 2182 G C 1.157 176.003 174.900 -0.090 0.000 1.012 2182 G CA 0.613 45.709 45.100 -0.005 0.000 0.618 2182 G HN 0.634 nan 8.290 nan 0.000 0.521 2183 S N 0.116 115.741 115.700 -0.124 0.000 2.378 2183 S HA -0.316 4.153 4.470 -0.001 0.000 0.229 2183 S C 2.189 176.548 174.600 -0.401 0.000 1.052 2183 S CA 2.409 60.379 58.200 -0.384 0.000 1.084 2183 S CB -0.395 62.754 63.200 -0.085 0.000 0.950 2183 S HN 0.674 nan 8.310 nan 0.000 0.440 2184 M N 1.249 120.881 119.600 0.053 0.000 2.106 2184 M HA -0.211 4.268 4.480 -0.001 0.000 0.259 2184 M C 2.062 178.414 176.300 0.086 0.000 1.068 2184 M CA 1.655 57.095 55.300 0.234 0.000 1.100 2184 M CB -0.209 32.579 32.600 0.313 0.000 1.351 2184 M HN 0.290 nan 8.290 nan 0.000 0.404 2185 E N -0.301 119.902 120.200 0.006 0.000 2.038 2185 E HA -0.290 4.060 4.350 -0.001 0.000 0.195 2185 E C 1.885 178.451 176.600 -0.056 0.000 1.000 2185 E CA 1.852 58.243 56.400 -0.016 0.000 0.803 2185 E CB -0.128 29.553 29.700 -0.031 0.000 0.750 2185 E HN 0.601 nan 8.360 nan 0.000 0.448 2186 E N -0.130 119.960 120.200 -0.184 0.000 2.077 2186 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 2186 E C 1.699 178.235 176.600 -0.107 0.000 0.989 2186 E CA 1.443 57.694 56.400 -0.250 0.000 0.800 2186 E CB -0.147 29.260 29.700 -0.487 0.000 0.746 2186 E HN 0.357 nan 8.360 nan 0.000 0.452 2187 W N 0.874 122.177 121.300 0.006 0.000 2.354 2187 W HA -0.181 4.479 4.660 -0.001 0.000 0.315 2187 W C 2.711 179.195 176.519 -0.059 0.000 1.206 2187 W CA 0.750 58.070 57.345 -0.041 0.000 1.290 2187 W CB -0.311 29.089 29.460 -0.100 0.000 1.152 2187 W HN 0.232 nan 8.180 nan 0.000 0.489 2188 Q N 0.903 120.823 119.800 0.199 0.000 2.045 2188 Q HA -0.268 4.071 4.340 -0.001 0.000 0.206 2188 Q C 2.318 178.354 176.000 0.060 0.000 0.991 2188 Q CA 2.377 58.233 55.803 0.088 0.000 0.851 2188 Q CB -0.498 28.274 28.738 0.057 0.000 0.911 2188 Q HN 0.235 nan 8.270 nan 0.000 0.418 2189 A N 0.596 123.446 122.820 0.049 0.000 1.933 2189 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 2189 A C 1.945 179.559 177.584 0.050 0.000 1.175 2189 A CA 1.472 53.527 52.037 0.029 0.000 0.628 2189 A CB -0.454 18.549 19.000 0.005 0.000 0.814 2189 A HN 0.516 nan 8.150 nan 0.000 0.444 2190 M N -0.967 118.691 119.600 0.097 0.000 2.682 2190 M HA 0.111 4.590 4.480 -0.001 0.000 0.235 2190 M C 1.474 177.830 176.300 0.093 0.000 1.114 2190 M CA 0.746 56.118 55.300 0.121 0.000 1.053 2190 M CB -0.053 32.688 32.600 0.234 0.000 1.599 2190 M HN 0.681 nan 8.290 nan 0.000 0.520 2191 G N -0.060 108.779 108.800 0.064 0.000 2.284 2191 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.247 2191 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.247 2191 G C 0.234 175.133 174.900 -0.002 0.000 1.012 2191 G CA 0.074 45.189 45.100 0.025 0.000 0.618 2191 G HN 0.318 nan 8.290 nan 0.000 0.521 2192 V N 2.628 122.541 119.914 -0.001 0.000 2.726 2192 V HA 0.127 4.247 4.120 -0.001 0.000 0.304 2192 V C 1.849 177.878 176.094 -0.109 0.000 1.115 2192 V CA 1.904 64.144 62.300 -0.100 0.000 1.264 2192 V CB 0.801 32.493 31.823 -0.219 0.000 0.867 2192 V HN 0.595 nan 8.190 nan 0.000 0.498 2193 M N 2.811 122.337 119.600 -0.122 0.000 2.382 2193 M HA 0.335 4.814 4.480 -0.001 0.000 0.247 2193 M C 0.360 176.594 176.300 -0.111 0.000 1.104 2193 M CA 0.323 55.563 55.300 -0.100 0.000 1.030 2193 M CB -0.164 32.395 32.600 -0.068 0.000 1.424 2193 M HN 0.855 nan 8.290 nan 0.000 0.486 2194 N N -1.378 117.214 118.700 -0.179 0.000 3.265 2194 N HA 0.322 5.061 4.740 -0.001 0.000 0.235 2194 N C -2.044 173.321 175.510 -0.242 0.000 1.343 2194 N CA -0.931 52.030 53.050 -0.148 0.000 0.904 2194 N CB 0.923 39.380 38.487 -0.050 0.000 1.492 2194 N HN -0.086 nan 8.380 nan 0.000 0.504 2195 Y N 0.213 120.471 120.300 -0.069 0.000 2.376 2195 Y HA 0.553 5.102 4.550 -0.001 0.000 0.325 2195 Y C 0.060 175.910 175.900 -0.083 0.000 1.199 2195 Y CA 0.314 58.353 58.100 -0.103 0.000 1.206 2195 Y CB 1.559 39.937 38.460 -0.135 0.000 1.229 2195 Y HN 0.928 nan 8.280 nan 0.000 0.480 2196 E N -0.025 120.263 120.200 0.147 0.000 2.382 2196 E HA 0.288 4.637 4.350 -0.001 0.000 0.280 2196 E C -1.692 174.944 176.600 0.061 0.000 1.161 2196 E CA -0.543 55.902 56.400 0.076 0.000 0.905 2196 E CB 0.379 30.106 29.700 0.045 0.000 1.268 2196 E HN 0.481 nan 8.360 nan 0.000 0.426 2197 M N 0.475 120.111 119.600 0.060 0.000 2.300 2197 M HA 0.342 4.821 4.480 -0.001 0.000 0.313 2197 M C 0.135 176.467 176.300 0.054 0.000 0.988 2197 M CA 0.136 55.469 55.300 0.055 0.000 1.012 2197 M CB 0.620 33.260 32.600 0.066 0.000 1.586 2197 M HN 0.593 nan 8.290 nan 0.000 0.562 2198 E N -0.250 119.978 120.200 0.046 0.000 2.414 2198 E HA 0.046 4.395 4.350 -0.001 0.000 0.208 2198 E C 1.890 178.500 176.600 0.017 0.000 0.820 2198 E CA 0.763 57.186 56.400 0.038 0.000 1.143 2198 E CB 0.287 30.014 29.700 0.045 0.000 1.150 2198 E HN 0.324 nan 8.360 nan 0.000 0.540 2199 S N 1.390 117.098 115.700 0.013 0.000 2.392 2199 S HA -0.269 4.200 4.470 -0.001 0.000 0.232 2199 S C 2.211 176.808 174.600 -0.005 0.000 1.041 2199 S CA 1.233 59.434 58.200 0.000 0.000 1.026 2199 S CB -0.507 62.693 63.200 -0.001 0.000 0.845 2199 S HN 0.271 nan 8.310 nan 0.000 0.465 2200 A N 1.936 124.759 122.820 0.005 0.000 1.858 2200 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 2200 A C 2.500 180.094 177.584 0.017 0.000 1.190 2200 A CA 2.140 54.187 52.037 0.016 0.000 0.617 2200 A CB -1.745 17.273 19.000 0.030 0.000 0.827 2200 A HN 0.569 nan 8.150 nan 0.000 0.443 2201 T N 0.343 114.908 114.554 0.019 0.000 2.720 2201 T HA -0.131 4.218 4.350 -0.001 0.000 0.268 2201 T C 1.815 176.449 174.700 -0.109 0.000 1.037 2201 T CA 1.303 63.407 62.100 0.006 0.000 1.144 2201 T CB -0.396 68.491 68.868 0.032 0.000 0.864 2201 T HN 0.349 nan 8.240 nan 0.000 0.444 2202 L N 0.869 122.027 121.223 -0.108 0.000 1.925 2202 L HA -0.064 4.275 4.340 -0.001 0.000 0.215 2202 L C 2.445 179.228 176.870 -0.145 0.000 1.082 2202 L CA 1.654 56.392 54.840 -0.170 0.000 0.764 2202 L CB -0.609 41.385 42.059 -0.108 0.000 0.887 2202 L HN 0.276 nan 8.230 nan 0.000 0.432 2203 L N -0.555 120.631 121.223 -0.061 0.000 2.211 2203 L HA -0.294 4.046 4.340 -0.001 0.000 0.216 2203 L C 2.388 179.264 176.870 0.010 0.000 1.092 2203 L CA 1.808 56.639 54.840 -0.015 0.000 0.767 2203 L CB -1.141 40.925 42.059 0.012 0.000 0.894 2203 L HN 0.454 nan 8.230 nan 0.000 0.437 2204 T N -0.729 113.820 114.554 -0.008 0.000 2.814 2204 T HA -0.146 4.203 4.350 -0.001 0.000 0.254 2204 T C 1.834 176.456 174.700 -0.131 0.000 1.037 2204 T CA 1.106 63.225 62.100 0.032 0.000 1.143 2204 T CB -0.120 68.789 68.868 0.068 0.000 0.866 2204 T HN 0.270 nan 8.240 nan 0.000 0.431 2205 M N 0.462 119.855 119.600 -0.344 0.000 2.195 2205 M HA -0.144 4.335 4.480 -0.001 0.000 0.260 2205 M C 1.975 178.009 176.300 -0.442 0.000 1.066 2205 M CA 1.569 56.431 55.300 -0.731 0.000 1.089 2205 M CB -0.383 31.485 32.600 -1.220 0.000 1.377 2205 M HN 0.324 nan 8.290 nan 0.000 0.411 2206 C N -0.150 118.977 119.300 -0.289 0.000 2.576 2206 C HA 0.129 4.588 4.460 -0.001 0.000 0.281 2206 C C 2.947 177.907 174.990 -0.051 0.000 1.292 2206 C CA 0.732 59.649 59.018 -0.169 0.000 1.697 2206 C CB -1.222 26.443 27.740 -0.126 0.000 2.109 2206 C HN 0.737 nan 8.230 nan 0.000 0.497 2207 A N 1.868 124.705 122.820 0.028 0.000 1.881 2207 A HA -0.289 4.030 4.320 -0.001 0.000 0.219 2207 A C 2.293 179.970 177.584 0.154 0.000 1.215 2207 A CA 3.363 55.502 52.037 0.170 0.000 0.648 2207 A CB -1.372 17.836 19.000 0.347 0.000 0.832 2207 A HN 0.782 nan 8.150 nan 0.000 0.455 2208 S N 0.244 115.901 115.700 -0.071 0.000 2.392 2208 S HA -0.249 4.221 4.470 -0.001 0.000 0.232 2208 S C 1.355 175.874 174.600 -0.135 0.000 1.041 2208 S CA 1.560 59.535 58.200 -0.375 0.000 1.026 2208 S CB -0.677 62.227 63.200 -0.493 0.000 0.845 2208 S HN 0.924 nan 8.310 nan 0.000 0.465 2209 Q N 0.444 120.199 119.800 -0.075 0.000 2.926 2209 Q HA 0.632 4.971 4.340 -0.001 0.000 0.186 2209 Q C 0.355 176.359 176.000 0.006 0.000 1.066 2209 Q CA -0.624 55.161 55.803 -0.030 0.000 0.821 2209 Q CB 0.228 28.944 28.738 -0.036 0.000 2.959 2209 Q HN 0.199 nan 8.270 nan 0.000 0.406 2210 G N 1.187 109.996 108.800 0.014 0.000 3.444 2210 G HA2 0.514 4.473 3.960 -0.001 0.000 0.315 2210 G HA3 0.514 4.473 3.960 -0.001 0.000 0.315 2210 G C -0.908 174.020 174.900 0.047 0.000 1.079 2210 G CA -0.367 44.753 45.100 0.034 0.000 1.500 2210 G HN 0.286 nan 8.290 nan 0.000 0.518 2211 L N 0.630 121.884 121.223 0.052 0.000 2.482 2211 L HA 0.506 4.845 4.340 -0.001 0.000 0.263 2211 L C -0.109 176.824 176.870 0.105 0.000 0.957 2211 L CA -0.986 53.911 54.840 0.096 0.000 0.836 2211 L CB 2.858 44.971 42.059 0.089 0.000 1.324 2211 L HN 0.179 nan 8.230 nan 0.000 0.406 2212 R N 2.198 122.778 120.500 0.133 0.000 2.565 2212 R HA 0.576 4.915 4.340 -0.001 0.000 0.286 2212 R C -0.242 176.148 176.300 0.150 0.000 1.256 2212 R CA -0.306 55.859 56.100 0.109 0.000 1.238 2212 R CB 1.047 31.387 30.300 0.067 0.000 1.153 2212 R HN 0.661 nan 8.270 nan 0.000 0.553 2213 A N 1.299 124.199 122.820 0.133 0.000 2.264 2213 A HA 0.837 5.156 4.320 -0.001 0.000 0.304 2213 A C 0.183 177.816 177.584 0.081 0.000 1.100 2213 A CA -0.410 51.709 52.037 0.137 0.000 0.839 2213 A CB 1.403 20.436 19.000 0.054 0.000 1.121 2213 A HN 0.658 nan 8.150 nan 0.000 0.496 2214 G N -0.302 108.543 108.800 0.074 0.000 2.692 2214 G HA2 0.577 4.536 3.960 -0.001 0.000 0.291 2214 G HA3 0.577 4.536 3.960 -0.001 0.000 0.291 2214 G C -1.355 173.567 174.900 0.037 0.000 1.423 2214 G CA -0.447 44.678 45.100 0.041 0.000 0.843 2214 G HN 0.591 nan 8.290 nan 0.000 0.486 2215 M N 1.158 120.771 119.600 0.022 0.000 2.378 2215 M HA 0.639 5.118 4.480 -0.001 0.000 0.289 2215 M C -1.679 174.628 176.300 0.012 0.000 1.136 2215 M CA -0.857 54.455 55.300 0.019 0.000 0.917 2215 M CB 1.849 34.458 32.600 0.015 0.000 1.669 2215 M HN 0.660 nan 8.290 nan 0.000 0.461 2216 V N 3.243 123.166 119.914 0.016 0.000 2.851 2216 V HA 0.986 5.105 4.120 -0.001 0.000 0.307 2216 V C -1.661 174.446 176.094 0.022 0.000 1.129 2216 V CA -0.119 62.188 62.300 0.013 0.000 0.932 2216 V CB 1.900 33.726 31.823 0.006 0.000 1.024 2216 V HN 1.071 nan 8.190 nan 0.000 0.426 2217 A N 3.969 126.804 122.820 0.025 0.000 2.567 2217 A HA 1.040 5.360 4.320 -0.001 0.000 0.289 2217 A C -0.280 177.330 177.584 0.042 0.000 1.177 2217 A CA -0.312 51.747 52.037 0.036 0.000 0.694 2217 A CB 1.915 20.938 19.000 0.038 0.000 1.292 2217 A HN 1.946 nan 8.150 nan 0.000 0.425 2218 G N -0.598 108.234 108.800 0.053 0.000 2.707 2218 G HA2 0.554 4.513 3.960 -0.001 0.000 0.299 2218 G HA3 0.554 4.513 3.960 -0.001 0.000 0.299 2218 G C -0.918 174.024 174.900 0.069 0.000 1.442 2218 G CA -0.437 44.702 45.100 0.066 0.000 1.009 2218 G HN 1.021 nan 8.290 nan 0.000 0.515 2219 V N 4.574 124.534 119.914 0.076 0.000 2.452 2219 V HA -0.024 4.095 4.120 -0.001 0.000 0.286 2219 V C 1.780 177.918 176.094 0.072 0.000 0.995 2219 V CA 0.212 62.557 62.300 0.076 0.000 1.116 2219 V CB 0.190 32.062 31.823 0.082 0.000 0.954 2219 V HN 0.741 nan 8.190 nan 0.000 0.473 2220 I N 3.941 124.554 120.570 0.071 0.000 3.462 2220 I HA 0.329 4.498 4.170 -0.001 0.000 0.290 2220 I C 0.481 176.639 176.117 0.068 0.000 1.236 2220 I CA 0.959 62.298 61.300 0.065 0.000 1.418 2220 I CB 0.877 38.917 38.000 0.066 0.000 1.102 2220 I HN 0.446 nan 8.210 nan 0.000 0.441 2221 V N 1.653 121.611 119.914 0.074 0.000 3.012 2221 V HA 0.441 4.560 4.120 -0.001 0.000 0.307 2221 V C -1.673 174.462 176.094 0.068 0.000 1.166 2221 V CA -0.676 61.668 62.300 0.072 0.000 0.974 2221 V CB 2.485 34.359 31.823 0.085 0.000 1.040 2221 V HN 0.444 nan 8.190 nan 0.000 0.428 2222 N N 4.100 122.837 118.700 0.062 0.000 2.479 2222 N HA 0.455 5.194 4.740 -0.001 0.000 0.261 2222 N C -0.418 175.126 175.510 0.057 0.000 0.979 2222 N CA -0.729 52.356 53.050 0.058 0.000 0.930 2222 N CB 1.180 39.699 38.487 0.053 0.000 1.172 2222 N HN 0.623 nan 8.380 nan 0.000 0.499 2223 R N 2.769 123.308 120.500 0.065 0.000 4.164 2223 R HA 0.110 4.449 4.340 -0.001 0.000 0.195 2223 R C 0.090 176.426 176.300 0.061 0.000 1.712 2223 R CA 0.220 56.361 56.100 0.069 0.000 1.457 2223 R CB -0.062 30.293 30.300 0.092 0.000 1.387 2223 R HN 0.697 nan 8.270 nan 0.000 0.785 2224 T N -3.759 110.822 114.554 0.045 0.000 3.714 2224 T HA -0.084 4.266 4.350 -0.001 0.000 0.244 2224 T C 0.106 174.820 174.700 0.024 0.000 0.900 2224 T CA -0.683 61.435 62.100 0.029 0.000 1.114 2224 T CB -0.094 68.782 68.868 0.013 0.000 1.072 2224 T HN 0.346 nan 8.240 nan 0.000 0.379 2225 Q N 2.759 122.574 119.800 0.026 0.000 2.474 2225 Q HA 0.319 4.658 4.340 -0.001 0.000 0.256 2225 Q C 0.585 176.603 176.000 0.029 0.000 1.048 2225 Q CA -0.062 55.757 55.803 0.026 0.000 0.922 2225 Q CB 0.037 28.794 28.738 0.032 0.000 1.288 2225 Q HN 0.756 nan 8.270 nan 0.000 0.484 2226 Q N -0.503 119.312 119.800 0.026 0.000 2.172 2226 Q HA 0.216 4.555 4.340 -0.001 0.000 0.217 2226 Q C -0.480 175.536 176.000 0.027 0.000 0.832 2226 Q CA -0.211 55.608 55.803 0.026 0.000 1.010 2226 Q CB 0.445 29.195 28.738 0.021 0.000 1.133 2226 Q HN 0.699 nan 8.270 nan 0.000 0.489 2227 E N 1.229 121.446 120.200 0.029 0.000 4.517 2227 E HA 0.321 4.670 4.350 -0.001 0.000 0.408 2227 E C -0.187 176.431 176.600 0.030 0.000 1.456 2227 E CA -0.505 55.912 56.400 0.028 0.000 2.449 2227 E CB 0.613 30.330 29.700 0.029 0.000 1.556 2227 E HN 0.193 nan 8.360 nan 0.000 0.781 2228 I N 1.886 122.473 120.570 0.029 0.000 2.404 2228 I HA 0.183 4.352 4.170 -0.001 0.000 0.293 2228 I C -1.858 174.278 176.117 0.031 0.000 0.992 2228 I CA -1.849 59.468 61.300 0.029 0.000 1.149 2228 I CB 1.544 39.558 38.000 0.024 0.000 1.315 2228 I HN 0.282 nan 8.210 nan 0.000 0.446 2229 P HA 0.116 nan 4.420 nan 0.000 0.249 2229 P C -0.425 176.893 177.300 0.030 0.000 1.593 2229 P CA 0.009 63.131 63.100 0.037 0.000 0.896 2229 P CB -0.156 31.571 31.700 0.044 0.000 1.581 2230 N N -0.286 118.429 118.700 0.025 0.000 2.247 2230 N HA -0.256 4.483 4.740 -0.001 0.000 0.143 2230 N C 0.874 176.394 175.510 0.016 0.000 0.842 2230 N CA 1.322 54.383 53.050 0.019 0.000 0.870 2230 N CB -1.496 37.001 38.487 0.016 0.000 0.818 2230 N HN 0.253 nan 8.380 nan 0.000 0.695 2231 A N 0.377 123.204 122.820 0.011 0.000 2.930 2231 A HA 0.160 4.479 4.320 -0.001 0.000 0.213 2231 A C 0.661 178.249 177.584 0.007 0.000 2.276 2231 A CA 0.700 52.742 52.037 0.008 0.000 1.182 2231 A CB -0.342 18.660 19.000 0.004 0.000 1.301 2231 A HN 0.638 nan 8.150 nan 0.000 0.481 2232 E N 0.813 121.014 120.200 0.001 0.000 2.261 2232 E HA 0.169 4.519 4.350 -0.001 0.000 0.308 2232 E C 0.066 176.665 176.600 -0.002 0.000 1.400 2232 E CA -0.092 56.307 56.400 -0.002 0.000 1.542 2232 E CB -0.261 29.434 29.700 -0.008 0.000 1.369 2232 E HN 0.429 nan 8.360 nan 0.000 0.493 2233 T N 1.830 116.388 114.554 0.006 0.000 3.215 2233 T HA 0.009 4.358 4.350 -0.001 0.000 0.254 2233 T C 0.820 175.527 174.700 0.011 0.000 1.149 2233 T CA 0.350 62.456 62.100 0.010 0.000 1.042 2233 T CB -0.002 68.879 68.868 0.021 0.000 0.966 2233 T HN 0.245 nan 8.240 nan 0.000 0.534 2234 M N 0.448 120.051 119.600 0.006 0.000 2.637 2234 M HA 0.412 4.891 4.480 -0.001 0.000 0.286 2234 M C 1.135 177.431 176.300 -0.006 0.000 1.246 2234 M CA -0.019 55.285 55.300 0.007 0.000 0.978 2234 M CB 0.554 33.158 32.600 0.008 0.000 1.417 2234 M HN -0.109 nan 8.290 nan 0.000 0.487 2235 K N -0.736 119.654 120.400 -0.017 0.000 2.431 2235 K HA 0.212 4.531 4.320 -0.001 0.000 0.213 2235 K C 1.586 178.153 176.600 -0.055 0.000 1.258 2235 K CA 0.286 56.554 56.287 -0.032 0.000 0.845 2235 K CB -0.563 31.917 32.500 -0.033 0.000 1.498 2235 K HN 0.205 nan 8.250 nan 0.000 0.451 2236 Q N 1.702 121.457 119.800 -0.075 0.000 2.197 2236 Q HA -0.157 4.183 4.340 -0.001 0.000 0.207 2236 Q C 1.460 177.350 176.000 -0.183 0.000 0.984 2236 Q CA 2.465 58.180 55.803 -0.147 0.000 0.869 2236 Q CB -0.132 28.514 28.738 -0.154 0.000 0.906 2236 Q HN 0.478 nan 8.270 nan 0.000 0.426 2237 T N -1.709 112.803 114.554 -0.070 0.000 2.701 2237 T HA -0.128 4.221 4.350 -0.001 0.000 0.263 2237 T C 1.605 176.321 174.700 0.027 0.000 1.040 2237 T CA 1.336 63.444 62.100 0.012 0.000 1.147 2237 T CB -0.400 68.495 68.868 0.045 0.000 0.865 2237 T HN 0.411 nan 8.240 nan 0.000 0.426 2238 E N 1.801 122.003 120.200 0.002 0.000 2.118 2238 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 2238 E C 2.680 179.279 176.600 -0.001 0.000 0.992 2238 E CA 1.499 57.903 56.400 0.005 0.000 0.804 2238 E CB -0.391 29.303 29.700 -0.011 0.000 0.741 2238 E HN 0.752 nan 8.360 nan 0.000 0.458 2239 S N 0.768 116.443 115.700 -0.040 0.000 2.359 2239 S HA -0.308 4.162 4.470 -0.001 0.000 0.222 2239 S C 1.773 176.378 174.600 0.008 0.000 1.038 2239 S CA 1.687 59.854 58.200 -0.054 0.000 1.051 2239 S CB -0.754 62.369 63.200 -0.129 0.000 0.944 2239 S HN 0.399 nan 8.310 nan 0.000 0.433 2240 H N 1.533 120.595 119.070 -0.013 0.000 2.446 2240 H HA -0.022 4.533 4.556 -0.001 0.000 0.296 2240 H C 2.772 178.091 175.328 -0.015 0.000 1.047 2240 H CA 1.230 57.269 56.048 -0.014 0.000 1.156 2240 H CB -0.662 29.093 29.762 -0.012 0.000 1.405 2240 H HN 0.582 nan 8.280 nan 0.000 0.588 2241 A N 0.454 123.366 122.820 0.152 0.000 1.903 2241 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 2241 A C 2.672 180.279 177.584 0.039 0.000 1.191 2241 A CA 2.216 54.292 52.037 0.065 0.000 0.638 2241 A CB -1.175 17.857 19.000 0.054 0.000 0.823 2241 A HN 0.278 nan 8.150 nan 0.000 0.451 2242 V N -0.087 119.846 119.914 0.032 0.000 2.278 2242 V HA -0.373 3.746 4.120 -0.001 0.000 0.251 2242 V C 2.506 178.605 176.094 0.010 0.000 1.062 2242 V CA 2.677 64.983 62.300 0.010 0.000 1.038 2242 V CB -0.770 31.050 31.823 -0.005 0.000 0.646 2242 V HN 0.615 nan 8.190 nan 0.000 0.447 2243 K N -0.249 120.164 120.400 0.022 0.000 1.978 2243 K HA -0.163 4.156 4.320 -0.001 0.000 0.214 2243 K C 2.022 178.628 176.600 0.009 0.000 1.049 2243 K CA 1.848 58.146 56.287 0.018 0.000 0.939 2243 K CB -0.426 32.098 32.500 0.040 0.000 0.721 2243 K HN 0.283 nan 8.250 nan 0.000 0.441 2244 I N 0.984 121.561 120.570 0.011 0.000 2.300 2244 I HA -0.230 3.939 4.170 -0.001 0.000 0.252 2244 I C 2.391 178.501 176.117 -0.011 0.000 1.119 2244 I CA 1.304 62.598 61.300 -0.009 0.000 1.384 2244 I CB -1.106 36.881 38.000 -0.021 0.000 1.062 2244 I HN 0.052 nan 8.210 nan 0.000 0.426 2245 V N 0.089 120.001 119.914 -0.002 0.000 2.951 2245 V HA -0.088 4.032 4.120 -0.001 0.000 0.255 2245 V C 2.315 178.405 176.094 -0.008 0.000 1.088 2245 V CA 0.899 63.197 62.300 -0.003 0.000 1.109 2245 V CB 0.381 32.208 31.823 0.006 0.000 0.724 2245 V HN 0.170 nan 8.190 nan 0.000 0.471 2246 V N 0.102 120.012 119.914 -0.007 0.000 2.446 2246 V HA -0.031 4.088 4.120 -0.001 0.000 0.244 2246 V C 2.559 178.645 176.094 -0.014 0.000 1.039 2246 V CA 1.580 63.874 62.300 -0.010 0.000 1.045 2246 V CB -0.373 31.445 31.823 -0.009 0.000 0.681 2246 V HN 0.546 nan 8.190 nan 0.000 0.459 2247 E N 1.177 121.369 120.200 -0.014 0.000 2.017 2247 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 2247 E C 2.355 178.941 176.600 -0.024 0.000 0.997 2247 E CA 1.574 57.963 56.400 -0.018 0.000 0.804 2247 E CB -1.042 28.648 29.700 -0.018 0.000 0.757 2247 E HN 0.490 nan 8.360 nan 0.000 0.448 2248 A N 2.296 125.100 122.820 -0.027 0.000 1.859 2248 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 2248 A C 2.556 180.121 177.584 -0.033 0.000 1.209 2248 A CA 3.169 55.186 52.037 -0.034 0.000 0.639 2248 A CB -1.197 17.783 19.000 -0.033 0.000 0.835 2248 A HN 0.320 nan 8.150 nan 0.000 0.450 2249 A N -0.752 122.052 122.820 -0.028 0.000 1.892 2249 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 2249 A C 2.246 179.811 177.584 -0.032 0.000 1.188 2249 A CA 2.223 54.241 52.037 -0.032 0.000 0.631 2249 A CB -0.649 18.333 19.000 -0.030 0.000 0.822 2249 A HN 0.598 nan 8.150 nan 0.000 0.447 2250 R N -0.399 120.086 120.500 -0.026 0.000 2.153 2250 R HA -0.248 4.091 4.340 -0.001 0.000 0.252 2250 R C 2.370 178.655 176.300 -0.026 0.000 1.158 2250 R CA 2.137 58.223 56.100 -0.023 0.000 0.975 2250 R CB -0.206 30.083 30.300 -0.019 0.000 0.871 2250 R HN 0.641 nan 8.270 nan 0.000 0.450 2251 R N -0.219 120.263 120.500 -0.029 0.000 2.055 2251 R HA -0.044 4.295 4.340 -0.001 0.000 0.228 2251 R C 2.469 178.749 176.300 -0.033 0.000 1.143 2251 R CA 1.385 57.466 56.100 -0.032 0.000 0.945 2251 R CB -0.505 29.772 30.300 -0.038 0.000 0.841 2251 R HN 0.153 nan 8.270 nan 0.000 0.429 2252 L N 1.012 122.212 121.223 -0.038 0.000 1.970 2252 L HA -0.133 4.206 4.340 -0.001 0.000 0.212 2252 L C 1.093 177.942 176.870 -0.035 0.000 1.071 2252 L CA 0.928 55.745 54.840 -0.038 0.000 0.751 2252 L CB -0.693 41.342 42.059 -0.040 0.000 0.889 2252 L HN 0.163 nan 8.230 nan 0.000 0.432 2253 L N 0.000 121.200 121.223 -0.039 0.000 2.949 2253 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 2253 L CA 0.000 54.816 54.840 -0.041 0.000 0.813 2253 L CB 0.000 42.040 42.059 -0.031 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502