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 1qpn_1_E DATA FIRST_RESID 2002 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2002 G HA2 0.000 nan 3.960 nan 0.000 0.244 2002 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 2002 G C 0.000 174.877 174.900 -0.038 0.000 0.946 2002 G CA 0.000 45.126 45.100 0.043 0.000 0.502 2003 L N 2.531 123.655 121.223 -0.166 0.000 2.367 2003 L HA 0.412 4.752 4.340 -0.001 0.000 0.275 2003 L C 1.405 178.197 176.870 -0.129 0.000 1.129 2003 L CA -0.529 54.139 54.840 -0.287 0.000 0.839 2003 L CB 1.267 43.122 42.059 -0.341 0.000 1.133 2003 L HN 0.700 nan 8.230 nan 0.000 0.453 2004 S N 0.107 115.752 115.700 -0.091 0.000 2.614 2004 S HA 0.084 4.554 4.470 -0.001 0.000 0.265 2004 S C 0.761 175.359 174.600 -0.003 0.000 1.303 2004 S CA -0.367 57.831 58.200 -0.004 0.000 1.000 2004 S CB 1.241 64.479 63.200 0.063 0.000 0.935 2004 S HN 0.711 nan 8.310 nan 0.000 0.551 2005 D N 0.580 121.008 120.400 0.047 0.000 2.158 2005 D HA -0.235 4.405 4.640 -0.001 0.000 0.197 2005 D C 1.580 177.958 176.300 0.130 0.000 0.995 2005 D CA 1.418 55.456 54.000 0.063 0.000 0.846 2005 D CB -0.607 40.236 40.800 0.071 0.000 0.941 2005 D HN 0.785 nan 8.370 nan 0.000 0.456 2006 W N 1.633 122.916 121.300 -0.028 0.000 2.355 2006 W HA -0.215 4.445 4.660 -0.001 0.000 0.309 2006 W C 1.607 178.104 176.519 -0.036 0.000 1.206 2006 W CA 1.330 58.661 57.345 -0.024 0.000 1.284 2006 W CB -0.006 29.445 29.460 -0.015 0.000 1.145 2006 W HN 0.001 nan 8.180 nan 0.000 0.502 2007 E N 0.614 120.593 120.200 -0.368 0.000 2.106 2007 E HA -0.251 4.099 4.350 -0.001 0.000 0.192 2007 E C 2.076 178.447 176.600 -0.383 0.000 0.984 2007 E CA 1.392 57.459 56.400 -0.555 0.000 0.806 2007 E CB -0.437 29.012 29.700 -0.419 0.000 0.750 2007 E HN 0.134 nan 8.360 nan 0.000 0.458 2008 L N 0.540 121.629 121.223 -0.223 0.000 2.083 2008 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 2008 L C 2.117 178.910 176.870 -0.128 0.000 1.083 2008 L CA 1.777 56.525 54.840 -0.154 0.000 0.752 2008 L CB -0.573 41.436 42.059 -0.082 0.000 0.899 2008 L HN 0.078 nan 8.230 nan 0.000 0.433 2009 A N -1.097 121.663 122.820 -0.100 0.000 1.898 2009 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 2009 A C 2.430 179.938 177.584 -0.128 0.000 1.181 2009 A CA 1.488 53.498 52.037 -0.045 0.000 0.620 2009 A CB -0.933 18.124 19.000 0.095 0.000 0.819 2009 A HN 0.452 nan 8.150 nan 0.000 0.442 2010 A N -0.083 122.542 122.820 -0.325 0.000 1.933 2010 A HA 0.186 4.506 4.320 -0.001 0.000 0.218 2010 A C 2.474 179.920 177.584 -0.230 0.000 1.175 2010 A CA 1.982 53.795 52.037 -0.373 0.000 0.628 2010 A CB -0.934 17.646 19.000 -0.699 0.000 0.814 2010 A HN 0.963 nan 8.150 nan 0.000 0.444 2011 A N 0.040 122.728 122.820 -0.221 0.000 1.858 2011 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 2011 A C 2.242 179.763 177.584 -0.104 0.000 1.190 2011 A CA 1.525 53.469 52.037 -0.155 0.000 0.617 2011 A CB -0.545 18.359 19.000 -0.161 0.000 0.827 2011 A HN 0.532 nan 8.150 nan 0.000 0.443 2012 R N -0.538 119.909 120.500 -0.089 0.000 2.103 2012 R HA -0.159 4.181 4.340 -0.001 0.000 0.242 2012 R C 2.443 178.715 176.300 -0.046 0.000 1.142 2012 R CA 1.361 57.428 56.100 -0.055 0.000 0.960 2012 R CB -0.549 29.728 30.300 -0.037 0.000 0.858 2012 R HN 0.529 nan 8.270 nan 0.000 0.439 2013 A N 1.105 123.895 122.820 -0.050 0.000 1.933 2013 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 2013 A C 2.345 179.904 177.584 -0.041 0.000 1.175 2013 A CA 1.616 53.633 52.037 -0.034 0.000 0.628 2013 A CB -0.476 18.509 19.000 -0.025 0.000 0.814 2013 A HN 0.412 nan 8.150 nan 0.000 0.444 2014 A N 0.554 123.338 122.820 -0.060 0.000 1.854 2014 A HA 0.008 4.328 4.320 -0.001 0.000 0.214 2014 A C 2.108 179.663 177.584 -0.047 0.000 1.192 2014 A CA 1.557 53.559 52.037 -0.058 0.000 0.611 2014 A CB -0.776 18.179 19.000 -0.075 0.000 0.832 2014 A HN 1.087 nan 8.150 nan 0.000 0.442 2015 I N -1.241 119.300 120.570 -0.048 0.000 2.264 2015 I HA -0.098 4.072 4.170 -0.001 0.000 0.248 2015 I C 2.270 178.369 176.117 -0.030 0.000 1.111 2015 I CA 1.781 63.057 61.300 -0.039 0.000 1.382 2015 I CB -0.703 37.272 38.000 -0.041 0.000 1.060 2015 I HN 0.186 nan 8.210 nan 0.000 0.418 2016 A N 1.396 124.200 122.820 -0.028 0.000 1.858 2016 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 2016 A C 2.497 180.070 177.584 -0.019 0.000 1.190 2016 A CA 1.928 53.953 52.037 -0.020 0.000 0.617 2016 A CB -0.772 18.217 19.000 -0.018 0.000 0.827 2016 A HN 0.530 nan 8.150 nan 0.000 0.443 2017 R N -0.819 119.669 120.500 -0.021 0.000 2.127 2017 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 2017 R C 2.327 178.619 176.300 -0.014 0.000 1.134 2017 R CA 1.108 57.197 56.100 -0.018 0.000 0.975 2017 R CB -0.608 29.679 30.300 -0.020 0.000 0.865 2017 R HN 0.553 nan 8.270 nan 0.000 0.447 2018 G N 1.183 109.972 108.800 -0.019 0.000 2.414 2018 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.215 2018 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.215 2018 G C 1.439 176.337 174.900 -0.004 0.000 1.188 2018 G CA 0.362 45.454 45.100 -0.014 0.000 0.783 2018 G HN 0.120 nan 8.290 nan 0.000 0.537 2019 L N 0.447 121.665 121.223 -0.008 0.000 2.083 2019 L HA -0.062 4.278 4.340 -0.001 0.000 0.209 2019 L C 2.511 179.381 176.870 -0.000 0.000 1.083 2019 L CA 1.445 56.283 54.840 -0.003 0.000 0.752 2019 L CB -0.365 41.689 42.059 -0.009 0.000 0.899 2019 L HN 0.229 nan 8.230 nan 0.000 0.433 2020 D N 0.114 120.510 120.400 -0.007 0.000 2.144 2020 D HA -0.200 4.440 4.640 -0.001 0.000 0.199 2020 D C 2.022 178.319 176.300 -0.006 0.000 0.984 2020 D CA 1.203 55.194 54.000 -0.016 0.000 0.834 2020 D CB 0.162 40.948 40.800 -0.023 0.000 0.955 2020 D HN 0.314 nan 8.370 nan 0.000 0.465 2021 E N -0.290 119.921 120.200 0.018 0.000 2.110 2021 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 2021 E C 1.486 178.158 176.600 0.120 0.000 0.988 2021 E CA 1.049 57.488 56.400 0.064 0.000 0.804 2021 E CB 0.008 29.740 29.700 0.054 0.000 0.745 2021 E HN 0.322 nan 8.360 nan 0.000 0.458 2022 D N 0.417 120.863 120.400 0.077 0.000 2.123 2022 D HA -0.054 4.586 4.640 -0.001 0.000 0.200 2022 D C 1.768 178.132 176.300 0.107 0.000 0.976 2022 D CA 0.799 54.852 54.000 0.089 0.000 0.831 2022 D CB 0.121 40.947 40.800 0.043 0.000 0.974 2022 D HN 0.105 nan 8.370 nan 0.000 0.469 2023 L N 0.086 121.342 121.223 0.054 0.000 2.558 2023 L HA 0.173 4.512 4.340 -0.001 0.000 0.225 2023 L C 2.281 179.139 176.870 -0.020 0.000 1.128 2023 L CA -0.020 54.837 54.840 0.029 0.000 0.868 2023 L CB -0.088 41.974 42.059 0.005 0.000 1.006 2023 L HN -0.068 nan 8.230 nan 0.000 0.454 2024 R N 0.663 121.113 120.500 -0.083 0.000 2.139 2024 R HA -0.211 4.129 4.340 -0.001 0.000 0.243 2024 R C 1.164 177.164 176.300 -0.501 0.000 1.145 2024 R CA 1.803 57.705 56.100 -0.331 0.000 0.976 2024 R CB -0.127 29.858 30.300 -0.525 0.000 0.866 2024 R HN 0.334 nan 8.270 nan 0.000 0.449 2025 Y N -0.359 119.938 120.300 -0.004 0.000 2.532 2025 Y HA 0.372 4.922 4.550 -0.001 0.000 0.283 2025 Y C 0.827 176.726 175.900 -0.003 0.000 1.181 2025 Y CA 0.335 58.433 58.100 -0.004 0.000 1.256 2025 Y CB 0.714 39.172 38.460 -0.004 0.000 1.112 2025 Y HN 0.336 nan 8.280 nan 0.000 0.521 2026 G N 0.625 109.456 108.800 0.052 0.000 2.497 2026 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.686 2026 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.686 2026 G C -2.911 172.016 174.900 0.044 0.000 1.288 2026 G CA -1.314 43.810 45.100 0.040 0.000 0.899 2026 G HN -0.030 nan 8.290 nan 0.000 0.608 2027 P HA 0.298 nan 4.420 nan 0.000 0.273 2027 P C -0.555 176.762 177.300 0.028 0.000 1.250 2027 P CA -0.196 62.919 63.100 0.024 0.000 0.793 2027 P CB 0.666 32.376 31.700 0.015 0.000 1.011 2028 D N 0.578 120.991 120.400 0.022 0.000 2.441 2028 D HA -0.036 4.603 4.640 -0.001 0.000 0.243 2028 D C 1.354 177.664 176.300 0.016 0.000 1.257 2028 D CA -0.037 53.975 54.000 0.020 0.000 1.027 2028 D CB -0.487 40.322 40.800 0.014 0.000 1.084 2028 D HN 0.049 nan 8.370 nan 0.000 0.514 2029 V N 3.417 123.341 119.914 0.018 0.000 2.453 2029 V HA -0.230 3.890 4.120 -0.001 0.000 0.252 2029 V C 1.979 178.079 176.094 0.010 0.000 1.068 2029 V CA 2.742 65.050 62.300 0.014 0.000 1.070 2029 V CB -0.522 31.311 31.823 0.016 0.000 0.664 2029 V HN 0.657 nan 8.190 nan 0.000 0.461 2030 T N -0.465 114.095 114.554 0.009 0.000 2.896 2030 T HA -0.145 4.204 4.350 -0.001 0.000 0.263 2030 T C 1.938 176.642 174.700 0.006 0.000 1.050 2030 T CA 2.325 64.428 62.100 0.006 0.000 1.140 2030 T CB -0.601 68.270 68.868 0.004 0.000 0.877 2030 T HN 0.858 nan 8.240 nan 0.000 0.457 2031 T N 1.018 115.576 114.554 0.007 0.000 2.812 2031 T HA 0.009 4.359 4.350 -0.001 0.000 0.264 2031 T C 1.902 176.606 174.700 0.007 0.000 1.042 2031 T CA 0.784 62.888 62.100 0.006 0.000 1.140 2031 T CB -0.682 68.190 68.868 0.006 0.000 0.870 2031 T HN 0.197 nan 8.240 nan 0.000 0.445 2032 L N 2.241 123.469 121.223 0.008 0.000 1.978 2032 L HA -0.069 4.270 4.340 -0.001 0.000 0.218 2032 L C 3.130 180.004 176.870 0.006 0.000 1.075 2032 L CA 2.016 56.861 54.840 0.007 0.000 0.767 2032 L CB -1.505 40.559 42.059 0.008 0.000 0.890 2032 L HN 0.432 nan 8.230 nan 0.000 0.434 2033 A N -1.501 121.323 122.820 0.006 0.000 1.902 2033 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 2033 A C 2.341 179.927 177.584 0.005 0.000 1.181 2033 A CA 2.550 54.590 52.037 0.005 0.000 0.623 2033 A CB -0.973 18.030 19.000 0.005 0.000 0.818 2033 A HN 0.575 nan 8.150 nan 0.000 0.443 2034 T N -3.909 110.647 114.554 0.005 0.000 3.044 2034 T HA 0.276 4.625 4.350 -0.001 0.000 0.255 2034 T C 0.527 175.230 174.700 0.004 0.000 1.073 2034 T CA 0.648 62.751 62.100 0.004 0.000 1.125 2034 T CB -0.363 68.507 68.868 0.003 0.000 0.908 2034 T HN 0.729 nan 8.240 nan 0.000 0.480 2035 V N 3.857 123.774 119.914 0.005 0.000 2.448 2035 V HA 0.605 4.725 4.120 -0.001 0.000 0.295 2035 V C -2.819 173.279 176.094 0.006 0.000 1.025 2035 V CA -2.828 59.476 62.300 0.006 0.000 0.859 2035 V CB 1.856 33.683 31.823 0.006 0.000 0.988 2035 V HN 0.123 nan 8.190 nan 0.000 0.431 2036 P HA 0.163 nan 4.420 nan 0.000 0.269 2036 P C 0.545 177.850 177.300 0.008 0.000 1.209 2036 P CA 0.179 63.283 63.100 0.006 0.000 0.776 2036 P CB 1.520 33.224 31.700 0.006 0.000 0.876 2037 A N 2.827 125.652 122.820 0.008 0.000 2.067 2037 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 2037 A C 1.959 179.548 177.584 0.010 0.000 1.158 2037 A CA 1.794 53.836 52.037 0.009 0.000 0.661 2037 A CB -1.234 17.771 19.000 0.008 0.000 0.801 2037 A HN 0.644 nan 8.150 nan 0.000 0.452 2038 S N -0.571 115.134 115.700 0.009 0.000 2.558 2038 S HA 0.503 4.973 4.470 -0.001 0.000 0.217 2038 S C 0.926 175.532 174.600 0.010 0.000 0.975 2038 S CA 0.222 58.427 58.200 0.009 0.000 0.912 2038 S CB -0.498 62.706 63.200 0.007 0.000 0.776 2038 S HN 0.805 nan 8.310 nan 0.000 0.526 2039 A N 1.546 124.372 122.820 0.010 0.000 2.520 2039 A HA 0.515 4.834 4.320 -0.001 0.000 0.245 2039 A C 0.255 177.848 177.584 0.014 0.000 1.072 2039 A CA 0.173 52.216 52.037 0.010 0.000 0.761 2039 A CB 0.022 19.027 19.000 0.009 0.000 1.004 2039 A HN 0.289 nan 8.150 nan 0.000 0.499 2040 T N 1.798 116.360 114.554 0.014 0.000 2.886 2040 T HA 0.712 5.062 4.350 -0.001 0.000 0.292 2040 T C -0.155 174.555 174.700 0.017 0.000 1.012 2040 T CA -0.114 61.997 62.100 0.018 0.000 0.982 2040 T CB 1.558 70.437 68.868 0.019 0.000 1.018 2040 T HN 0.919 nan 8.240 nan 0.000 0.451 2041 T N 0.213 114.778 114.554 0.020 0.000 2.838 2041 T HA 0.694 5.044 4.350 -0.001 0.000 0.292 2041 T C -0.745 173.967 174.700 0.021 0.000 1.113 2041 T CA -0.893 61.217 62.100 0.017 0.000 1.008 2041 T CB 1.667 70.543 68.868 0.012 0.000 1.259 2041 T HN 0.388 nan 8.240 nan 0.000 0.520 2042 T N 1.201 115.766 114.554 0.017 0.000 2.786 2042 T HA 0.756 5.105 4.350 -0.001 0.000 0.283 2042 T C -0.387 174.321 174.700 0.014 0.000 0.992 2042 T CA -0.550 61.562 62.100 0.019 0.000 0.954 2042 T CB 1.076 69.954 68.868 0.017 0.000 0.934 2042 T HN 0.983 nan 8.240 nan 0.000 0.440 2043 A N 2.489 125.316 122.820 0.012 0.000 2.386 2043 A HA 0.917 5.237 4.320 -0.001 0.000 0.308 2043 A C -0.393 177.193 177.584 0.004 0.000 1.128 2043 A CA -0.769 51.271 52.037 0.005 0.000 0.789 2043 A CB 1.672 20.671 19.000 -0.002 0.000 1.325 2043 A HN 0.646 nan 8.150 nan 0.000 0.437 2044 S N 0.087 115.788 115.700 0.001 0.000 2.571 2044 S HA 0.511 4.980 4.470 -0.001 0.000 0.284 2044 S C -0.991 173.607 174.600 -0.003 0.000 1.128 2044 S CA -0.431 57.769 58.200 0.001 0.000 0.970 2044 S CB 1.039 64.242 63.200 0.004 0.000 1.039 2044 S HN 0.549 nan 8.310 nan 0.000 0.485 2045 L N 3.876 125.097 121.223 -0.004 0.000 2.283 2045 L HA 0.496 4.836 4.340 -0.001 0.000 0.287 2045 L C -0.129 176.740 176.870 -0.000 0.000 1.073 2045 L CA -0.543 54.294 54.840 -0.005 0.000 0.822 2045 L CB 0.660 42.714 42.059 -0.008 0.000 1.186 2045 L HN 0.456 nan 8.230 nan 0.000 0.436 2046 V N 0.757 120.671 119.914 0.000 0.000 2.604 2046 V HA 0.581 4.701 4.120 -0.001 0.000 0.305 2046 V C 0.270 176.365 176.094 0.002 0.000 1.043 2046 V CA -0.523 61.778 62.300 0.002 0.000 0.888 2046 V CB 1.842 33.666 31.823 0.002 0.000 0.995 2046 V HN 0.718 nan 8.190 nan 0.000 0.429 2047 T N 2.959 117.515 114.554 0.002 0.000 2.901 2047 T HA 0.412 4.762 4.350 -0.001 0.000 0.301 2047 T C 0.660 175.361 174.700 0.001 0.000 1.012 2047 T CA -0.333 61.768 62.100 0.002 0.000 1.135 2047 T CB 1.115 69.984 68.868 0.001 0.000 0.936 2047 T HN 0.789 nan 8.240 nan 0.000 0.539 2048 R N 0.681 121.182 120.500 0.002 0.000 2.300 2048 R HA 0.188 4.527 4.340 -0.001 0.000 0.199 2048 R C 0.842 177.142 176.300 0.001 0.000 0.920 2048 R CA 0.270 56.371 56.100 0.001 0.000 1.046 2048 R CB 0.204 30.506 30.300 0.002 0.000 0.984 2048 R HN 0.926 nan 8.270 nan 0.000 0.493 2049 E N -1.788 118.412 120.200 0.000 0.000 2.458 2049 E HA 0.626 4.976 4.350 -0.001 0.000 0.278 2049 E C -1.400 175.199 176.600 -0.002 0.000 1.004 2049 E CA -1.248 55.151 56.400 -0.001 0.000 0.823 2049 E CB 1.040 30.739 29.700 -0.001 0.000 1.396 2049 E HN -0.076 nan 8.360 nan 0.000 0.463 2050 A N 0.024 122.842 122.820 -0.003 0.000 2.302 2050 A HA 0.828 5.147 4.320 -0.001 0.000 0.285 2050 A C 0.325 177.906 177.584 -0.005 0.000 1.105 2050 A CA 0.478 52.513 52.037 -0.004 0.000 0.816 2050 A CB 0.766 19.763 19.000 -0.005 0.000 1.067 2050 A HN 0.915 nan 8.150 nan 0.000 0.489 2051 G N -1.277 107.520 108.800 -0.005 0.000 2.335 2051 G HA2 0.486 4.446 3.960 -0.001 0.000 0.291 2051 G HA3 0.486 4.446 3.960 -0.001 0.000 0.291 2051 G C -1.729 173.166 174.900 -0.008 0.000 1.261 2051 G CA -0.011 45.085 45.100 -0.007 0.000 0.871 2051 G HN 1.186 nan 8.290 nan 0.000 0.491 2052 V N 0.336 120.243 119.914 -0.012 0.000 2.448 2052 V HA 0.628 4.748 4.120 -0.001 0.000 0.295 2052 V C 0.080 176.164 176.094 -0.017 0.000 1.025 2052 V CA -0.776 61.515 62.300 -0.015 0.000 0.859 2052 V CB 1.311 33.120 31.823 -0.022 0.000 0.988 2052 V HN 0.909 nan 8.190 nan 0.000 0.431 2053 V N 5.252 125.160 119.914 -0.010 0.000 2.546 2053 V HA 0.903 5.023 4.120 -0.001 0.000 0.284 2053 V C 0.222 176.317 176.094 0.000 0.000 1.050 2053 V CA 0.320 62.619 62.300 -0.001 0.000 0.981 2053 V CB 1.206 33.034 31.823 0.008 0.000 0.990 2053 V HN 1.182 nan 8.190 nan 0.000 0.474 2054 A N 4.362 127.190 122.820 0.014 0.000 2.549 2054 A HA 0.774 5.094 4.320 -0.001 0.000 0.297 2054 A C 0.493 178.137 177.584 0.101 0.000 1.061 2054 A CA -0.017 52.047 52.037 0.044 0.000 0.690 2054 A CB 1.583 20.564 19.000 -0.031 0.000 1.287 2054 A HN 2.355 nan 8.150 nan 0.000 0.402 2055 G N -0.050 108.864 108.800 0.190 0.000 2.131 2055 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.223 2055 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.223 2055 G C 0.516 175.450 174.900 0.057 0.000 0.990 2055 G CA 0.373 45.553 45.100 0.134 0.000 0.671 2055 G HN 1.025 nan 8.290 nan 0.000 0.521 2056 L N 1.125 122.381 121.223 0.055 0.000 2.131 2056 L HA 0.073 4.413 4.340 -0.001 0.000 0.210 2056 L C 2.345 179.217 176.870 0.003 0.000 1.092 2056 L CA 2.307 57.161 54.840 0.023 0.000 0.759 2056 L CB -0.548 41.528 42.059 0.029 0.000 0.903 2056 L HN 0.343 nan 8.230 nan 0.000 0.435 2057 D N -0.972 119.428 120.400 0.000 0.000 2.178 2057 D HA -0.116 4.523 4.640 -0.001 0.000 0.202 2057 D C 2.249 178.523 176.300 -0.044 0.000 0.974 2057 D CA 0.984 54.970 54.000 -0.024 0.000 0.841 2057 D CB 0.141 40.911 40.800 -0.051 0.000 0.953 2057 D HN 0.207 nan 8.370 nan 0.000 0.478 2058 V N 1.461 121.346 119.914 -0.048 0.000 2.626 2058 V HA -0.169 3.951 4.120 -0.001 0.000 0.252 2058 V C 2.508 178.570 176.094 -0.052 0.000 1.067 2058 V CA 1.444 63.711 62.300 -0.055 0.000 1.081 2058 V CB -0.582 31.214 31.823 -0.045 0.000 0.686 2058 V HN 0.155 nan 8.190 nan 0.000 0.468 2059 A N -0.027 122.764 122.820 -0.048 0.000 1.872 2059 A HA -0.082 4.238 4.320 -0.001 0.000 0.214 2059 A C 2.077 179.590 177.584 -0.119 0.000 1.187 2059 A CA 1.320 53.315 52.037 -0.071 0.000 0.614 2059 A CB -0.475 18.489 19.000 -0.059 0.000 0.826 2059 A HN 0.371 nan 8.150 nan 0.000 0.442 2060 L N -0.020 121.141 121.223 -0.104 0.000 2.012 2060 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 2060 L C 2.492 179.304 176.870 -0.096 0.000 1.073 2060 L CA 1.485 56.246 54.840 -0.131 0.000 0.748 2060 L CB -1.316 40.742 42.059 -0.002 0.000 0.891 2060 L HN 0.373 nan 8.230 nan 0.000 0.431 2061 L N -1.258 119.935 121.223 -0.049 0.000 2.187 2061 L HA -0.232 4.107 4.340 -0.001 0.000 0.213 2061 L C 2.259 179.103 176.870 -0.044 0.000 1.100 2061 L CA 1.312 56.134 54.840 -0.030 0.000 0.765 2061 L CB -0.817 41.218 42.059 -0.040 0.000 0.904 2061 L HN 0.311 nan 8.230 nan 0.000 0.437 2062 T N -0.331 114.179 114.554 -0.074 0.000 2.857 2062 T HA -0.074 4.276 4.350 -0.001 0.000 0.266 2062 T C 1.856 176.504 174.700 -0.088 0.000 1.048 2062 T CA 0.682 62.740 62.100 -0.071 0.000 1.139 2062 T CB 0.018 68.844 68.868 -0.070 0.000 0.874 2062 T HN 0.019 nan 8.240 nan 0.000 0.455 2063 L N 2.055 123.175 121.223 -0.173 0.000 2.027 2063 L HA 0.023 4.362 4.340 -0.001 0.000 0.206 2063 L C 2.260 179.114 176.870 -0.026 0.000 1.074 2063 L CA 1.448 56.141 54.840 -0.245 0.000 0.745 2063 L CB -1.489 40.090 42.059 -0.801 0.000 0.898 2063 L HN 0.183 nan 8.230 nan 0.000 0.433 2064 N N -0.059 118.686 118.700 0.076 0.000 2.060 2064 N HA -0.252 4.488 4.740 -0.001 0.000 0.195 2064 N C 1.885 177.444 175.510 0.081 0.000 1.028 2064 N CA 1.404 54.556 53.050 0.171 0.000 0.861 2064 N CB -0.170 38.390 38.487 0.121 0.000 1.029 2064 N HN 0.339 nan 8.380 nan 0.000 0.428 2065 E N 0.366 120.585 120.200 0.032 0.000 2.072 2065 E HA -0.028 4.322 4.350 -0.001 0.000 0.191 2065 E C 1.816 178.426 176.600 0.016 0.000 0.985 2065 E CA 0.657 57.066 56.400 0.016 0.000 0.801 2065 E CB -0.029 29.669 29.700 -0.003 0.000 0.750 2065 E HN 0.110 nan 8.360 nan 0.000 0.452 2066 V N -0.128 119.792 119.914 0.010 0.000 2.500 2066 V HA -0.055 4.065 4.120 -0.001 0.000 0.243 2066 V C 2.082 178.194 176.094 0.031 0.000 1.039 2066 V CA 1.230 63.536 62.300 0.010 0.000 1.053 2066 V CB -0.169 31.649 31.823 -0.008 0.000 0.695 2066 V HN 0.253 nan 8.190 nan 0.000 0.463 2067 L N -0.402 120.857 121.223 0.060 0.000 2.556 2067 L HA 0.524 4.863 4.340 -0.001 0.000 0.226 2067 L C 0.980 177.913 176.870 0.107 0.000 1.089 2067 L CA 0.681 55.578 54.840 0.096 0.000 0.864 2067 L CB 0.060 42.215 42.059 0.159 0.000 1.067 2067 L HN 0.507 nan 8.230 nan 0.000 0.477 2068 G N -0.317 108.551 108.800 0.112 0.000 2.712 2068 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.686 2068 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.686 2068 G C 0.390 175.359 174.900 0.116 0.000 1.181 2068 G CA -0.308 44.842 45.100 0.083 0.000 0.762 2068 G HN -0.018 nan 8.290 nan 0.000 0.641 2069 T N 0.731 115.327 114.554 0.070 0.000 2.680 2069 T HA -0.227 4.122 4.350 -0.001 0.000 0.268 2069 T C 1.665 176.258 174.700 -0.179 0.000 1.033 2069 T CA 2.190 64.303 62.100 0.023 0.000 1.152 2069 T CB -0.186 68.677 68.868 -0.008 0.000 0.859 2069 T HN 0.584 nan 8.240 nan 0.000 0.452 2070 N N 0.381 118.994 118.700 -0.145 0.000 2.380 2070 N HA 0.308 5.048 4.740 -0.001 0.000 0.255 2070 N C 1.131 176.542 175.510 -0.165 0.000 1.158 2070 N CA -0.044 52.873 53.050 -0.221 0.000 0.878 2070 N CB 0.429 38.839 38.487 -0.127 0.000 1.138 2070 N HN 0.438 nan 8.380 nan 0.000 0.509 2071 G N -0.501 108.247 108.800 -0.087 0.000 3.042 2071 G HA2 0.101 4.061 3.960 -0.001 0.000 0.212 2071 G HA3 0.101 4.061 3.960 -0.001 0.000 0.212 2071 G C -0.128 174.858 174.900 0.143 0.000 1.166 2071 G CA 0.201 45.337 45.100 0.060 0.000 0.767 2071 G HN 0.370 nan 8.290 nan 0.000 0.546 2072 Y N -2.494 117.805 120.300 -0.001 0.000 2.670 2072 Y HA 0.788 5.337 4.550 -0.001 0.000 0.334 2072 Y C -0.857 175.043 175.900 -0.001 0.000 1.185 2072 Y CA -2.246 55.853 58.100 -0.001 0.000 1.053 2072 Y CB 1.162 39.621 38.460 -0.001 0.000 1.298 2072 Y HN -0.099 nan 8.280 nan 0.000 0.459 2073 R N 1.370 121.948 120.500 0.130 0.000 2.561 2073 R HA 0.746 5.086 4.340 -0.001 0.000 0.297 2073 R C -2.157 174.232 176.300 0.148 0.000 0.969 2073 R CA -0.913 55.214 56.100 0.045 0.000 0.879 2073 R CB 2.155 32.461 30.300 0.011 0.000 1.178 2073 R HN 0.746 nan 8.270 nan 0.000 0.445 2074 V N 6.750 126.741 119.914 0.129 0.000 2.368 2074 V HA 0.121 4.240 4.120 -0.001 0.000 0.266 2074 V C 0.561 176.692 176.094 0.063 0.000 1.045 2074 V CA -0.342 62.031 62.300 0.122 0.000 0.899 2074 V CB 1.290 33.192 31.823 0.132 0.000 1.006 2074 V HN 0.758 nan 8.190 nan 0.000 0.470 2075 L N 3.012 124.267 121.223 0.052 0.000 2.307 2075 L HA 0.350 4.689 4.340 -0.001 0.000 0.211 2075 L C 0.606 177.493 176.870 0.029 0.000 1.099 2075 L CA 0.993 55.854 54.840 0.034 0.000 0.816 2075 L CB -0.649 41.428 42.059 0.029 0.000 0.952 2075 L HN 0.770 nan 8.230 nan 0.000 0.455 2076 D N -1.389 119.031 120.400 0.033 0.000 2.722 2076 D HA 0.466 5.105 4.640 -0.001 0.000 0.231 2076 D C -0.961 175.356 176.300 0.027 0.000 1.218 2076 D CA -0.562 53.454 54.000 0.027 0.000 0.753 2076 D CB 1.354 42.166 40.800 0.020 0.000 1.471 2076 D HN 0.093 nan 8.370 nan 0.000 0.455 2077 R N 0.516 121.030 120.500 0.025 0.000 2.692 2077 R HA 0.802 5.142 4.340 -0.001 0.000 0.269 2077 R C -1.756 174.556 176.300 0.020 0.000 1.030 2077 R CA -0.967 55.147 56.100 0.023 0.000 0.882 2077 R CB 0.987 31.304 30.300 0.028 0.000 1.250 2077 R HN 0.156 nan 8.270 nan 0.000 0.465 2078 V N 1.007 120.933 119.914 0.019 0.000 2.973 2078 V HA 0.323 4.442 4.120 -0.001 0.000 0.314 2078 V C -0.274 175.833 176.094 0.022 0.000 1.066 2078 V CA -0.642 61.669 62.300 0.018 0.000 1.021 2078 V CB 1.886 33.718 31.823 0.014 0.000 1.076 2078 V HN 0.716 nan 8.190 nan 0.000 0.462 2079 E N 1.606 121.820 120.200 0.022 0.000 2.313 2079 E HA 0.280 4.630 4.350 -0.001 0.000 0.272 2079 E C -0.820 175.798 176.600 0.031 0.000 1.038 2079 E CA -0.589 55.828 56.400 0.028 0.000 0.863 2079 E CB 0.741 30.456 29.700 0.026 0.000 1.060 2079 E HN 0.542 nan 8.360 nan 0.000 0.402 2080 D N 0.092 120.520 120.400 0.047 0.000 2.443 2080 D HA 0.265 4.904 4.640 -0.001 0.000 0.239 2080 D C 1.150 177.461 176.300 0.017 0.000 1.136 2080 D CA 1.456 55.485 54.000 0.049 0.000 0.879 2080 D CB 0.635 41.501 40.800 0.111 0.000 1.195 2080 D HN 0.629 nan 8.370 nan 0.000 0.443 2081 G N 0.888 109.683 108.800 -0.008 0.000 2.176 2081 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.232 2081 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.232 2081 G C 0.405 175.299 174.900 -0.011 0.000 0.986 2081 G CA 0.162 45.248 45.100 -0.022 0.000 0.643 2081 G HN 0.819 nan 8.290 nan 0.000 0.522 2082 A N 0.930 123.749 122.820 -0.002 0.000 2.401 2082 A HA 0.690 5.010 4.320 -0.001 0.000 0.259 2082 A C 0.757 178.340 177.584 -0.003 0.000 1.103 2082 A CA -0.250 51.787 52.037 0.000 0.000 0.789 2082 A CB 0.358 19.361 19.000 0.005 0.000 1.035 2082 A HN 0.363 nan 8.150 nan 0.000 0.491 2083 R N 1.554 122.052 120.500 -0.003 0.000 2.340 2083 R HA 0.439 4.779 4.340 -0.001 0.000 0.300 2083 R C -0.986 175.313 176.300 -0.002 0.000 1.069 2083 R CA -0.325 55.773 56.100 -0.004 0.000 0.984 2083 R CB 0.769 31.067 30.300 -0.003 0.000 1.003 2083 R HN 0.370 nan 8.270 nan 0.000 0.459 2084 V N 5.635 125.548 119.914 -0.002 0.000 2.638 2084 V HA 0.373 4.493 4.120 -0.001 0.000 0.306 2084 V C -2.014 174.079 176.094 -0.001 0.000 1.052 2084 V CA -2.006 60.294 62.300 -0.001 0.000 0.885 2084 V CB 2.824 34.647 31.823 0.001 0.000 0.999 2084 V HN 0.675 nan 8.190 nan 0.000 0.424 2085 P HA 0.359 nan 4.420 nan 0.000 0.276 2085 P C -2.469 174.830 177.300 -0.001 0.000 1.261 2085 P CA -1.489 61.610 63.100 -0.001 0.000 0.800 2085 P CB 0.839 32.539 31.700 -0.001 0.000 1.066 2086 P HA -0.207 nan 4.420 nan 0.000 0.205 2086 P C 1.390 178.690 177.300 0.001 0.000 1.046 2086 P CA 2.280 65.380 63.100 -0.000 0.000 0.968 2086 P CB -0.748 30.952 31.700 -0.001 0.000 0.753 2087 G N -0.915 107.886 108.800 0.001 0.000 3.186 2087 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.214 2087 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.214 2087 G C 0.201 175.102 174.900 0.002 0.000 1.222 2087 G CA -0.051 45.050 45.100 0.001 0.000 0.921 2087 G HN 0.231 nan 8.290 nan 0.000 0.504 2088 E N 0.800 121.001 120.200 0.002 0.000 2.414 2088 E HA 0.401 4.750 4.350 -0.001 0.000 0.263 2088 E C 0.351 176.953 176.600 0.004 0.000 1.000 2088 E CA -0.064 56.338 56.400 0.003 0.000 0.914 2088 E CB 0.700 30.402 29.700 0.003 0.000 0.948 2088 E HN 0.153 nan 8.360 nan 0.000 0.444 2089 A N 5.906 128.729 122.820 0.005 0.000 2.391 2089 A HA 0.248 4.568 4.320 -0.001 0.000 0.316 2089 A C 0.795 178.383 177.584 0.007 0.000 1.381 2089 A CA -0.391 51.650 52.037 0.005 0.000 0.998 2089 A CB -0.135 18.869 19.000 0.007 0.000 1.147 2089 A HN 0.817 nan 8.150 nan 0.000 0.545 2090 L N 1.738 122.965 121.223 0.006 0.000 2.156 2090 L HA 0.139 4.479 4.340 -0.001 0.000 0.208 2090 L C 1.032 177.908 176.870 0.010 0.000 1.095 2090 L CA 0.866 55.711 54.840 0.008 0.000 0.770 2090 L CB -0.260 41.803 42.059 0.007 0.000 0.914 2090 L HN 0.780 nan 8.230 nan 0.000 0.439 2091 M N -0.769 118.836 119.600 0.008 0.000 2.373 2091 M HA 0.310 4.790 4.480 -0.001 0.000 0.290 2091 M C -1.699 174.606 176.300 0.010 0.000 1.143 2091 M CA -0.185 55.122 55.300 0.011 0.000 0.949 2091 M CB 2.357 34.960 32.600 0.006 0.000 1.756 2091 M HN -0.286 nan 8.290 nan 0.000 0.494 2092 T N 5.999 120.563 114.554 0.018 0.000 2.786 2092 T HA 0.717 5.067 4.350 -0.001 0.000 0.283 2092 T C -0.942 173.778 174.700 0.033 0.000 0.992 2092 T CA -0.592 61.520 62.100 0.019 0.000 0.954 2092 T CB 0.829 69.708 68.868 0.019 0.000 0.934 2092 T HN 0.565 nan 8.240 nan 0.000 0.440 2093 L N 0.608 121.851 121.223 0.033 0.000 2.327 2093 L HA 0.846 5.185 4.340 -0.001 0.000 0.258 2093 L C -0.403 176.503 176.870 0.059 0.000 1.024 2093 L CA -1.124 53.753 54.840 0.062 0.000 0.825 2093 L CB 1.582 43.684 42.059 0.072 0.000 1.386 2093 L HN 0.467 nan 8.230 nan 0.000 0.417 2094 E N 0.487 120.738 120.200 0.085 0.000 2.165 2094 E HA 0.819 5.168 4.350 -0.001 0.000 0.266 2094 E C -1.391 175.268 176.600 0.098 0.000 0.889 2094 E CA -0.629 55.811 56.400 0.068 0.000 0.756 2094 E CB 1.625 31.356 29.700 0.051 0.000 1.131 2094 E HN 1.015 nan 8.360 nan 0.000 0.411 2095 A N 3.900 126.766 122.820 0.077 0.000 2.610 2095 A HA 0.264 4.583 4.320 -0.001 0.000 0.291 2095 A C -1.171 176.446 177.584 0.055 0.000 1.086 2095 A CA -0.766 51.327 52.037 0.093 0.000 0.677 2095 A CB 1.561 20.629 19.000 0.113 0.000 1.278 2095 A HN 0.632 nan 8.150 nan 0.000 0.414 2096 Q N 0.635 120.467 119.800 0.055 0.000 2.247 2096 Q HA 0.093 4.432 4.340 -0.001 0.000 0.288 2096 Q C 0.583 176.599 176.000 0.026 0.000 1.079 2096 Q CA 0.927 56.751 55.803 0.035 0.000 0.932 2096 Q CB 0.418 29.177 28.738 0.035 0.000 1.133 2096 Q HN 0.799 nan 8.270 nan 0.000 0.377 2097 T N 4.788 119.354 114.554 0.019 0.000 2.653 2097 T HA -0.234 4.116 4.350 -0.001 0.000 0.268 2097 T C 1.498 176.204 174.700 0.010 0.000 1.035 2097 T CA 1.815 63.923 62.100 0.013 0.000 1.154 2097 T CB -0.051 68.823 68.868 0.011 0.000 0.862 2097 T HN 0.621 nan 8.240 nan 0.000 0.441 2098 R N 0.301 120.808 120.500 0.011 0.000 2.091 2098 R HA -0.067 4.273 4.340 -0.001 0.000 0.238 2098 R C 2.898 179.203 176.300 0.007 0.000 1.136 2098 R CA 1.392 57.497 56.100 0.009 0.000 0.959 2098 R CB -0.757 29.549 30.300 0.010 0.000 0.856 2098 R HN 0.493 nan 8.270 nan 0.000 0.437 2099 G N 1.007 109.813 108.800 0.011 0.000 2.404 2099 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.215 2099 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.215 2099 G C 1.473 176.369 174.900 -0.005 0.000 1.174 2099 G CA 0.264 45.369 45.100 0.008 0.000 0.780 2099 G HN 0.114 nan 8.290 nan 0.000 0.537 2100 L N -0.310 120.909 121.223 -0.006 0.000 2.012 2100 L HA -0.100 4.240 4.340 -0.001 0.000 0.210 2100 L C 2.784 179.645 176.870 -0.016 0.000 1.073 2100 L CA 0.541 55.370 54.840 -0.019 0.000 0.748 2100 L CB -0.398 41.654 42.059 -0.012 0.000 0.891 2100 L HN 0.141 nan 8.230 nan 0.000 0.431 2101 L N -0.685 120.534 121.223 -0.007 0.000 2.191 2101 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 2101 L C 2.484 179.351 176.870 -0.005 0.000 1.103 2101 L CA 1.789 56.626 54.840 -0.005 0.000 0.769 2101 L CB -1.196 40.863 42.059 -0.000 0.000 0.908 2101 L HN 0.215 nan 8.230 nan 0.000 0.438 2102 T N -1.242 113.310 114.554 -0.005 0.000 2.978 2102 T HA 0.027 4.377 4.350 -0.001 0.000 0.262 2102 T C 1.901 176.595 174.700 -0.009 0.000 1.063 2102 T CA 0.947 63.046 62.100 -0.003 0.000 1.140 2102 T CB 0.032 68.900 68.868 0.001 0.000 0.886 2102 T HN 0.372 nan 8.240 nan 0.000 0.470 2103 A N 1.259 124.067 122.820 -0.020 0.000 1.930 2103 A HA 0.001 4.321 4.320 -0.001 0.000 0.215 2103 A C 2.031 179.597 177.584 -0.030 0.000 1.176 2103 A CA 1.401 53.419 52.037 -0.032 0.000 0.632 2103 A CB -0.534 18.434 19.000 -0.054 0.000 0.819 2103 A HN 0.540 nan 8.150 nan 0.000 0.445 2104 E N -0.397 119.787 120.200 -0.026 0.000 2.164 2104 E HA -0.388 3.962 4.350 -0.001 0.000 0.233 2104 E C 2.246 178.837 176.600 -0.016 0.000 1.073 2104 E CA 2.199 58.586 56.400 -0.021 0.000 0.941 2104 E CB -0.178 29.514 29.700 -0.014 0.000 0.820 2104 E HN 0.377 nan 8.360 nan 0.000 0.486 2105 R N 0.038 120.532 120.500 -0.010 0.000 2.081 2105 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 2105 R C 2.337 178.632 176.300 -0.008 0.000 1.131 2105 R CA 2.332 58.428 56.100 -0.006 0.000 0.960 2105 R CB -1.118 29.180 30.300 -0.003 0.000 0.856 2105 R HN 0.256 nan 8.270 nan 0.000 0.436 2106 T N 0.914 115.461 114.554 -0.012 0.000 2.708 2106 T HA -0.164 4.185 4.350 -0.001 0.000 0.266 2106 T C 1.754 176.442 174.700 -0.019 0.000 1.037 2106 T CA 1.687 63.778 62.100 -0.016 0.000 1.146 2106 T CB -0.248 68.609 68.868 -0.019 0.000 0.865 2106 T HN 0.351 nan 8.240 nan 0.000 0.435 2107 M N 0.432 120.017 119.600 -0.025 0.000 2.086 2107 M HA -0.079 4.400 4.480 -0.001 0.000 0.261 2107 M C 1.678 177.969 176.300 -0.014 0.000 1.067 2107 M CA 1.578 56.861 55.300 -0.029 0.000 1.116 2107 M CB -0.162 32.411 32.600 -0.045 0.000 1.348 2107 M HN 0.112 nan 8.290 nan 0.000 0.407 2108 L N 1.107 122.325 121.223 -0.009 0.000 2.109 2108 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 2108 L C 2.128 179.007 176.870 0.015 0.000 1.086 2108 L CA 1.515 56.356 54.840 0.002 0.000 0.760 2108 L CB -1.876 40.183 42.059 0.000 0.000 0.910 2108 L HN 0.368 nan 8.230 nan 0.000 0.437 2109 N N -0.597 118.110 118.700 0.011 0.000 2.120 2109 N HA -0.166 4.574 4.740 -0.001 0.000 0.188 2109 N C 1.763 177.297 175.510 0.040 0.000 1.024 2109 N CA 0.918 53.981 53.050 0.020 0.000 0.852 2109 N CB -0.286 38.201 38.487 0.000 0.000 1.003 2109 N HN 0.107 nan 8.380 nan 0.000 0.424 2110 L N 0.724 121.960 121.223 0.023 0.000 2.007 2110 L HA -0.024 4.315 4.340 -0.001 0.000 0.205 2110 L C 2.358 179.271 176.870 0.072 0.000 1.073 2110 L CA 1.164 56.027 54.840 0.037 0.000 0.744 2110 L CB -1.319 40.741 42.059 0.002 0.000 0.898 2110 L HN 0.125 nan 8.230 nan 0.000 0.435 2111 V N -1.331 118.609 119.914 0.044 0.000 2.626 2111 V HA -0.047 4.073 4.120 -0.001 0.000 0.252 2111 V C 2.199 178.323 176.094 0.049 0.000 1.067 2111 V CA 1.710 64.038 62.300 0.046 0.000 1.081 2111 V CB -1.098 30.741 31.823 0.026 0.000 0.686 2111 V HN 0.403 nan 8.190 nan 0.000 0.468 2112 G N -0.865 107.967 108.800 0.053 0.000 2.408 2112 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 2112 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 2112 G C 1.412 176.347 174.900 0.058 0.000 1.150 2112 G CA 1.076 46.204 45.100 0.046 0.000 0.776 2112 G HN 0.731 nan 8.290 nan 0.000 0.542 2113 H N 0.397 119.470 119.070 0.004 0.000 2.307 2113 H HA 0.145 4.700 4.556 -0.001 0.000 0.303 2113 H C 2.560 177.892 175.328 0.006 0.000 1.073 2113 H CA 1.250 57.301 56.048 0.005 0.000 1.338 2113 H CB -0.212 29.552 29.762 0.004 0.000 1.389 2113 H HN 0.218 nan 8.280 nan 0.000 0.503 2114 L N -0.549 120.730 121.223 0.093 0.000 2.083 2114 L HA -0.160 4.180 4.340 -0.001 0.000 0.209 2114 L C 2.486 179.336 176.870 -0.033 0.000 1.083 2114 L CA 1.376 56.238 54.840 0.036 0.000 0.752 2114 L CB -0.466 41.660 42.059 0.111 0.000 0.899 2114 L HN 0.270 nan 8.230 nan 0.000 0.433 2115 S N 0.109 115.799 115.700 -0.017 0.000 2.402 2115 S HA -0.074 4.396 4.470 -0.001 0.000 0.229 2115 S C 2.066 176.633 174.600 -0.055 0.000 1.021 2115 S CA 1.019 59.202 58.200 -0.028 0.000 0.974 2115 S CB -0.414 62.781 63.200 -0.007 0.000 0.800 2115 S HN 0.598 nan 8.310 nan 0.000 0.484 2116 G N 1.960 110.711 108.800 -0.082 0.000 2.446 2116 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.217 2116 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.217 2116 G C 1.324 176.153 174.900 -0.118 0.000 1.168 2116 G CA 0.750 45.791 45.100 -0.099 0.000 0.771 2116 G HN 0.485 nan 8.290 nan 0.000 0.551 2117 I N 1.312 121.777 120.570 -0.176 0.000 2.179 2117 I HA -0.154 4.016 4.170 -0.001 0.000 0.242 2117 I C 3.288 179.348 176.117 -0.095 0.000 1.088 2117 I CA 1.001 62.210 61.300 -0.151 0.000 1.357 2117 I CB -0.225 37.673 38.000 -0.171 0.000 1.051 2117 I HN 0.246 nan 8.210 nan 0.000 0.409 2118 A N 0.171 122.937 122.820 -0.090 0.000 1.972 2118 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 2118 A C 2.364 179.924 177.584 -0.041 0.000 1.169 2118 A CA 2.295 54.285 52.037 -0.079 0.000 0.635 2118 A CB -0.981 17.964 19.000 -0.092 0.000 0.810 2118 A HN 0.380 nan 8.150 nan 0.000 0.446 2119 T N 0.203 114.738 114.554 -0.033 0.000 2.737 2119 T HA -0.010 4.340 4.350 -0.001 0.000 0.265 2119 T C 2.275 176.988 174.700 0.022 0.000 1.038 2119 T CA 1.616 63.710 62.100 -0.010 0.000 1.144 2119 T CB -0.456 68.404 68.868 -0.014 0.000 0.866 2119 T HN 0.592 nan 8.240 nan 0.000 0.434 2120 A N 1.258 124.096 122.820 0.031 0.000 1.902 2120 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 2120 A C 2.587 180.298 177.584 0.211 0.000 1.181 2120 A CA 2.390 54.496 52.037 0.115 0.000 0.623 2120 A CB -1.288 17.762 19.000 0.083 0.000 0.818 2120 A HN 0.572 nan 8.150 nan 0.000 0.443 2121 T N -1.544 113.061 114.554 0.086 0.000 2.867 2121 T HA 0.099 4.449 4.350 -0.001 0.000 0.268 2121 T C 1.854 176.629 174.700 0.125 0.000 1.057 2121 T CA 1.740 63.891 62.100 0.085 0.000 1.136 2121 T CB -0.417 68.428 68.868 -0.040 0.000 0.874 2121 T HN 0.533 nan 8.240 nan 0.000 0.466 2122 A N 1.003 123.866 122.820 0.072 0.000 1.969 2122 A HA 0.427 4.746 4.320 -0.001 0.000 0.218 2122 A C 2.775 180.401 177.584 0.069 0.000 1.169 2122 A CA 1.626 53.695 52.037 0.053 0.000 0.635 2122 A CB -1.235 17.776 19.000 0.018 0.000 0.810 2122 A HN 0.753 nan 8.150 nan 0.000 0.445 2123 A N -1.018 121.851 122.820 0.082 0.000 1.873 2123 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 2123 A C 1.932 179.522 177.584 0.010 0.000 1.186 2123 A CA 1.376 53.422 52.037 0.014 0.000 0.616 2123 A CB -0.905 18.077 19.000 -0.029 0.000 0.823 2123 A HN 0.700 nan 8.150 nan 0.000 0.442 2124 W N -0.112 121.172 121.300 -0.026 0.000 2.335 2124 W HA -0.147 4.513 4.660 -0.001 0.000 0.311 2124 W C 2.341 178.852 176.519 -0.014 0.000 1.213 2124 W CA 1.649 58.981 57.345 -0.021 0.000 1.274 2124 W CB -0.788 28.653 29.460 -0.031 0.000 1.148 2124 W HN 0.126 nan 8.180 nan 0.000 0.498 2125 V N 0.343 120.386 119.914 0.216 0.000 2.392 2125 V HA -0.300 3.820 4.120 -0.001 0.000 0.249 2125 V C 1.808 177.944 176.094 0.069 0.000 1.059 2125 V CA 2.179 64.551 62.300 0.120 0.000 1.051 2125 V CB -0.790 31.080 31.823 0.078 0.000 0.658 2125 V HN 0.105 nan 8.190 nan 0.000 0.455 2126 D N 0.342 120.768 120.400 0.043 0.000 2.123 2126 D HA -0.064 4.576 4.640 -0.001 0.000 0.200 2126 D C 2.278 178.578 176.300 0.000 0.000 0.976 2126 D CA 1.505 55.513 54.000 0.012 0.000 0.831 2126 D CB -0.334 40.462 40.800 -0.007 0.000 0.974 2126 D HN 0.417 nan 8.370 nan 0.000 0.469 2127 A N 0.774 123.582 122.820 -0.020 0.000 1.986 2127 A HA -0.161 4.159 4.320 -0.001 0.000 0.220 2127 A C 2.134 179.718 177.584 -0.000 0.000 1.171 2127 A CA 1.943 53.951 52.037 -0.048 0.000 0.640 2127 A CB -0.473 18.441 19.000 -0.144 0.000 0.811 2127 A HN 0.266 nan 8.150 nan 0.000 0.451 2128 V N -2.822 117.116 119.914 0.041 0.000 3.271 2128 V HA 0.331 4.451 4.120 -0.001 0.000 0.327 2128 V C 0.620 176.737 176.094 0.038 0.000 1.389 2128 V CA -0.065 62.267 62.300 0.054 0.000 1.156 2128 V CB -1.066 30.812 31.823 0.092 0.000 1.103 2128 V HN 0.459 nan 8.190 nan 0.000 0.453 2129 R N 0.925 121.441 120.500 0.026 0.000 2.698 2129 R HA 0.424 4.764 4.340 -0.001 0.000 0.266 2129 R C 1.441 177.749 176.300 0.013 0.000 1.026 2129 R CA 1.419 57.530 56.100 0.019 0.000 1.102 2129 R CB 0.231 30.538 30.300 0.012 0.000 0.978 2129 R HN 0.893 nan 8.270 nan 0.000 0.436 2130 G N 1.550 110.356 108.800 0.010 0.000 2.179 2130 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.260 2130 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.260 2130 G C 0.191 175.095 174.900 0.006 0.000 0.977 2130 G CA 0.511 45.615 45.100 0.006 0.000 0.641 2130 G HN 0.685 nan 8.290 nan 0.000 0.533 2131 T N -0.710 113.850 114.554 0.010 0.000 2.938 2131 T HA 0.572 4.922 4.350 -0.001 0.000 0.285 2131 T C 1.513 176.212 174.700 -0.002 0.000 1.028 2131 T CA 0.105 62.211 62.100 0.008 0.000 1.005 2131 T CB 1.360 70.241 68.868 0.022 0.000 1.157 2131 T HN 0.377 nan 8.240 nan 0.000 0.550 2132 K N 0.252 120.642 120.400 -0.017 0.000 2.352 2132 K HA 0.469 4.789 4.320 -0.001 0.000 0.194 2132 K C 0.852 177.418 176.600 -0.056 0.000 1.038 2132 K CA -0.137 56.127 56.287 -0.038 0.000 1.023 2132 K CB 0.200 32.665 32.500 -0.058 0.000 0.840 2132 K HN 0.452 nan 8.250 nan 0.000 0.519 2133 A N 2.051 124.847 122.820 -0.040 0.000 2.520 2133 A HA 0.123 4.443 4.320 -0.001 0.000 0.235 2133 A C -0.701 176.893 177.584 0.017 0.000 1.065 2133 A CA 0.201 52.217 52.037 -0.035 0.000 0.764 2133 A CB 0.089 19.102 19.000 0.021 0.000 1.002 2133 A HN 0.351 nan 8.150 nan 0.000 0.502 2134 K N 1.251 121.691 120.400 0.067 0.000 2.259 2134 K HA 0.545 4.864 4.320 -0.001 0.000 0.252 2134 K C -0.697 176.002 176.600 0.165 0.000 0.936 2134 K CA -0.505 55.871 56.287 0.149 0.000 0.810 2134 K CB 1.701 34.356 32.500 0.258 0.000 1.143 2134 K HN 0.517 nan 8.250 nan 0.000 0.427 2135 I N 3.396 124.020 120.570 0.091 0.000 2.371 2135 I HA 0.282 4.452 4.170 -0.001 0.000 0.290 2135 I C 0.271 176.364 176.117 -0.040 0.000 1.028 2135 I CA -0.191 61.123 61.300 0.023 0.000 1.345 2135 I CB 0.468 38.483 38.000 0.024 0.000 1.407 2135 I HN 0.466 nan 8.210 nan 0.000 0.501 2136 R N 3.903 124.343 120.500 -0.101 0.000 2.854 2136 R HA 0.455 4.794 4.340 -0.001 0.000 0.271 2136 R C -0.788 175.429 176.300 -0.138 0.000 0.996 2136 R CA -0.869 55.146 56.100 -0.142 0.000 0.961 2136 R CB 2.069 32.211 30.300 -0.263 0.000 1.182 2136 R HN 0.580 nan 8.270 nan 0.000 0.479 2137 D N -0.417 119.929 120.400 -0.090 0.000 2.539 2137 D HA 0.369 5.009 4.640 -0.001 0.000 0.276 2137 D C 0.277 176.562 176.300 -0.026 0.000 1.206 2137 D CA -0.388 53.558 54.000 -0.089 0.000 1.081 2137 D CB 0.547 41.301 40.800 -0.076 0.000 1.142 2137 D HN 0.543 nan 8.370 nan 0.000 0.595 2138 T N -4.474 110.054 114.554 -0.043 0.000 2.645 2138 T HA 0.479 4.829 4.350 -0.001 0.000 0.273 2138 T C 0.406 175.085 174.700 -0.036 0.000 0.960 2138 T CA -1.030 61.050 62.100 -0.034 0.000 1.051 2138 T CB 1.170 70.022 68.868 -0.025 0.000 1.366 2138 T HN 0.297 nan 8.240 nan 0.000 0.536 2139 R N 0.179 120.657 120.500 -0.037 0.000 2.388 2139 R HA 0.208 4.548 4.340 -0.001 0.000 0.247 2139 R C 0.142 176.448 176.300 0.009 0.000 0.931 2139 R CA -0.125 55.963 56.100 -0.021 0.000 1.082 2139 R CB 0.117 30.394 30.300 -0.037 0.000 1.135 2139 R HN 0.412 nan 8.270 nan 0.000 0.525 2140 K N 2.118 122.536 120.400 0.029 0.000 2.307 2140 K HA 0.057 4.376 4.320 -0.001 0.000 0.240 2140 K C 0.004 176.654 176.600 0.083 0.000 1.214 2140 K CA 0.114 56.446 56.287 0.076 0.000 1.149 2140 K CB 0.435 33.039 32.500 0.173 0.000 1.668 2140 K HN 0.091 nan 8.250 nan 0.000 0.314 2141 T N -2.040 112.548 114.554 0.056 0.000 2.950 2141 T HA 0.415 4.765 4.350 -0.001 0.000 0.288 2141 T C 0.029 174.762 174.700 0.056 0.000 1.035 2141 T CA -1.137 60.998 62.100 0.058 0.000 1.028 2141 T CB 1.349 70.243 68.868 0.045 0.000 1.109 2141 T HN -0.048 nan 8.240 nan 0.000 0.514 2142 L N 2.388 123.644 121.223 0.056 0.000 2.375 2142 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 2142 L C -1.997 174.883 176.870 0.016 0.000 1.107 2142 L CA -2.430 52.428 54.840 0.031 0.000 0.806 2142 L CB 0.374 42.438 42.059 0.009 0.000 1.146 2142 L HN 0.593 nan 8.230 nan 0.000 0.447 2143 P HA 0.132 nan 4.420 nan 0.000 0.264 2143 P C 0.688 177.989 177.300 0.001 0.000 1.229 2143 P CA 0.492 63.599 63.100 0.010 0.000 0.780 2143 P CB 0.588 32.293 31.700 0.007 0.000 0.808 2144 G N 2.926 111.733 108.800 0.011 0.000 2.176 2144 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.232 2144 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.232 2144 G C 0.455 175.338 174.900 -0.028 0.000 0.986 2144 G CA 0.021 45.121 45.100 -0.001 0.000 0.643 2144 G HN 0.493 nan 8.290 nan 0.000 0.522 2145 L N -0.268 120.942 121.223 -0.021 0.000 2.817 2145 L HA 0.354 4.694 4.340 -0.001 0.000 0.248 2145 L C 2.364 179.231 176.870 -0.004 0.000 1.133 2145 L CA 0.398 55.220 54.840 -0.031 0.000 0.935 2145 L CB 0.045 42.079 42.059 -0.041 0.000 1.266 2145 L HN 0.240 nan 8.230 nan 0.000 0.535 2146 R N 1.685 122.196 120.500 0.020 0.000 2.134 2146 R HA -0.273 4.066 4.340 -0.001 0.000 0.248 2146 R C 2.180 178.499 176.300 0.032 0.000 1.143 2146 R CA 2.252 58.379 56.100 0.045 0.000 0.957 2146 R CB -0.207 30.141 30.300 0.080 0.000 0.867 2146 R HN 0.343 nan 8.270 nan 0.000 0.441 2147 A N 0.593 123.394 122.820 -0.033 0.000 1.930 2147 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 2147 A C 2.232 179.761 177.584 -0.091 0.000 1.175 2147 A CA 1.239 53.199 52.037 -0.129 0.000 0.627 2147 A CB -0.383 18.255 19.000 -0.603 0.000 0.815 2147 A HN 0.382 nan 8.150 nan 0.000 0.443 2148 L N -0.937 120.237 121.223 -0.082 0.000 2.044 2148 L HA -0.213 4.126 4.340 -0.001 0.000 0.205 2148 L C 2.891 179.829 176.870 0.114 0.000 1.075 2148 L CA 1.384 56.232 54.840 0.013 0.000 0.747 2148 L CB -0.639 41.412 42.059 -0.012 0.000 0.903 2148 L HN 0.471 nan 8.230 nan 0.000 0.435 2149 Q N -0.051 119.797 119.800 0.080 0.000 2.124 2149 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 2149 Q C 2.163 178.187 176.000 0.040 0.000 0.977 2149 Q CA 1.385 57.233 55.803 0.075 0.000 0.850 2149 Q CB -0.065 28.720 28.738 0.078 0.000 0.901 2149 Q HN 0.229 nan 8.270 nan 0.000 0.429 2150 K N 0.077 120.509 120.400 0.053 0.000 2.148 2150 K HA -0.147 4.172 4.320 -0.001 0.000 0.204 2150 K C 1.701 178.332 176.600 0.051 0.000 1.050 2150 K CA 0.827 57.140 56.287 0.044 0.000 0.942 2150 K CB -0.294 32.249 32.500 0.072 0.000 0.724 2150 K HN 0.237 nan 8.250 nan 0.000 0.446 2151 Y N 0.333 120.616 120.300 -0.028 0.000 2.200 2151 Y HA -0.124 4.425 4.550 -0.001 0.000 0.290 2151 Y C 1.853 177.738 175.900 -0.024 0.000 1.137 2151 Y CA 1.425 59.507 58.100 -0.029 0.000 1.163 2151 Y CB -0.526 37.902 38.460 -0.053 0.000 0.988 2151 Y HN 0.031 nan 8.280 nan 0.000 0.518 2152 A N 0.108 122.798 122.820 -0.216 0.000 1.930 2152 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 2152 A C 2.400 179.849 177.584 -0.225 0.000 1.175 2152 A CA 2.100 53.973 52.037 -0.273 0.000 0.627 2152 A CB -1.614 17.332 19.000 -0.090 0.000 0.815 2152 A HN 0.614 nan 8.150 nan 0.000 0.443 2153 V N -1.163 118.662 119.914 -0.149 0.000 2.358 2153 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 2153 V C 2.229 178.244 176.094 -0.132 0.000 1.047 2153 V CA 2.350 64.576 62.300 -0.124 0.000 1.035 2153 V CB -0.883 30.877 31.823 -0.105 0.000 0.658 2153 V HN 0.547 nan 8.190 nan 0.000 0.452 2154 R N -0.009 120.401 120.500 -0.150 0.000 2.105 2154 R HA -0.133 4.207 4.340 -0.001 0.000 0.239 2154 R C 2.365 178.561 176.300 -0.173 0.000 1.135 2154 R CA 2.145 58.166 56.100 -0.131 0.000 0.967 2154 R CB -0.612 29.623 30.300 -0.107 0.000 0.861 2154 R HN 0.674 nan 8.270 nan 0.000 0.442 2155 T N -1.041 113.333 114.554 -0.300 0.000 2.867 2155 T HA -0.059 4.291 4.350 -0.001 0.000 0.268 2155 T C 1.521 176.131 174.700 -0.150 0.000 1.057 2155 T CA 1.260 63.194 62.100 -0.277 0.000 1.136 2155 T CB -0.099 68.505 68.868 -0.441 0.000 0.874 2155 T HN 0.484 nan 8.240 nan 0.000 0.466 2156 G N -0.061 108.661 108.800 -0.130 0.000 2.813 2156 G HA2 0.372 4.331 3.960 -0.001 0.000 0.209 2156 G HA3 0.372 4.331 3.960 -0.001 0.000 0.209 2156 G C 1.113 175.989 174.900 -0.040 0.000 1.150 2156 G CA 0.432 45.490 45.100 -0.070 0.000 0.785 2156 G HN 0.742 nan 8.290 nan 0.000 0.535 2157 G N -1.666 107.105 108.800 -0.048 0.000 2.184 2157 G HA2 0.047 4.007 3.960 -0.001 0.000 0.206 2157 G HA3 0.047 4.007 3.960 -0.001 0.000 0.206 2157 G C 0.663 175.556 174.900 -0.013 0.000 0.995 2157 G CA 0.116 45.204 45.100 -0.021 0.000 0.651 2157 G HN 0.934 nan 8.290 nan 0.000 0.511 2158 G N -0.971 107.809 108.800 -0.032 0.000 2.557 2158 G HA2 0.762 4.721 3.960 -0.001 0.000 0.292 2158 G HA3 0.762 4.721 3.960 -0.001 0.000 0.292 2158 G C 0.071 174.951 174.900 -0.033 0.000 1.237 2158 G CA 0.145 45.226 45.100 -0.032 0.000 0.978 2158 G HN 1.593 nan 8.290 nan 0.000 0.498 2159 V N -1.005 118.886 119.914 -0.038 0.000 2.604 2159 V HA 0.566 4.685 4.120 -0.001 0.000 0.305 2159 V C -0.746 175.314 176.094 -0.057 0.000 1.043 2159 V CA -1.449 60.827 62.300 -0.040 0.000 0.888 2159 V CB 1.745 33.550 31.823 -0.031 0.000 0.995 2159 V HN 0.558 nan 8.190 nan 0.000 0.429 2160 N N 3.246 121.929 118.700 -0.028 0.000 2.518 2160 N HA 0.300 5.039 4.740 -0.001 0.000 0.266 2160 N C 0.076 175.599 175.510 0.021 0.000 1.196 2160 N CA 0.102 53.152 53.050 -0.000 0.000 0.947 2160 N CB 0.945 39.448 38.487 0.027 0.000 1.098 2160 N HN 1.041 nan 8.380 nan 0.000 0.450 2161 H N 1.763 120.772 119.070 -0.101 0.000 4.129 2161 H HA 0.315 4.871 4.556 -0.001 0.000 0.183 2161 H C -0.065 175.217 175.328 -0.077 0.000 1.373 2161 H CA -0.343 55.629 56.048 -0.127 0.000 1.568 2161 H CB 0.802 30.471 29.762 -0.155 0.000 1.594 2161 H HN 0.253 nan 8.280 nan 0.000 0.439 2162 R N 1.718 122.070 120.500 -0.246 0.000 2.312 2162 R HA 0.172 4.512 4.340 -0.001 0.000 0.311 2162 R C 0.715 176.959 176.300 -0.094 0.000 1.004 2162 R CA -0.190 55.772 56.100 -0.231 0.000 0.902 2162 R CB 1.578 31.644 30.300 -0.390 0.000 1.073 2162 R HN 0.510 nan 8.270 nan 0.000 0.457 2163 L N 0.965 122.164 121.223 -0.041 0.000 2.375 2163 L HA 0.188 4.528 4.340 -0.001 0.000 0.215 2163 L C 1.169 178.039 176.870 0.000 0.000 1.108 2163 L CA 0.415 55.261 54.840 0.010 0.000 0.830 2163 L CB 0.107 42.189 42.059 0.038 0.000 0.959 2163 L HN 0.785 nan 8.230 nan 0.000 0.457 2164 G N -2.228 106.551 108.800 -0.035 0.000 2.495 2164 G HA2 0.278 4.238 3.960 -0.001 0.000 0.294 2164 G HA3 0.278 4.238 3.960 -0.001 0.000 0.294 2164 G C -0.447 174.423 174.900 -0.050 0.000 1.397 2164 G CA -0.720 44.360 45.100 -0.033 0.000 0.790 2164 G HN -0.331 nan 8.290 nan 0.000 0.486 2165 L N 0.928 122.127 121.223 -0.040 0.000 2.079 2165 L HA 0.094 4.434 4.340 -0.001 0.000 0.210 2165 L C 2.800 179.642 176.870 -0.047 0.000 1.081 2165 L CA 2.777 57.593 54.840 -0.040 0.000 0.752 2165 L CB -0.912 41.130 42.059 -0.027 0.000 0.896 2165 L HN 0.783 nan 8.230 nan 0.000 0.433 2166 G N -2.389 106.383 108.800 -0.048 0.000 2.985 2166 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.209 2166 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.209 2166 G C 1.097 175.967 174.900 -0.049 0.000 1.165 2166 G CA 0.306 45.376 45.100 -0.049 0.000 0.776 2166 G HN 0.326 nan 8.290 nan 0.000 0.541 2167 D N 0.694 121.062 120.400 -0.053 0.000 2.092 2167 D HA 0.195 4.835 4.640 -0.001 0.000 0.193 2167 D C 1.439 177.715 176.300 -0.040 0.000 0.994 2167 D CA 1.770 55.740 54.000 -0.049 0.000 0.828 2167 D CB 0.131 40.893 40.800 -0.063 0.000 0.963 2167 D HN 0.406 nan 8.370 nan 0.000 0.450 2168 A N -1.233 121.560 122.820 -0.045 0.000 2.602 2168 A HA 0.754 5.073 4.320 -0.001 0.000 0.290 2168 A C -1.514 176.047 177.584 -0.037 0.000 1.114 2168 A CA -0.325 51.694 52.037 -0.030 0.000 0.683 2168 A CB 1.339 20.330 19.000 -0.015 0.000 1.281 2168 A HN 0.099 nan 8.150 nan 0.000 0.416 2169 A N 1.009 123.812 122.820 -0.029 0.000 2.310 2169 A HA 0.563 4.883 4.320 -0.001 0.000 0.300 2169 A C -0.465 177.106 177.584 -0.020 0.000 1.269 2169 A CA -0.210 51.803 52.037 -0.040 0.000 0.909 2169 A CB -0.050 18.926 19.000 -0.041 0.000 1.144 2169 A HN 1.220 nan 8.150 nan 0.000 0.540 2170 L N 5.265 126.478 121.223 -0.017 0.000 2.295 2170 L HA 0.487 4.826 4.340 -0.001 0.000 0.281 2170 L C -1.206 175.719 176.870 0.092 0.000 1.018 2170 L CA -0.518 54.338 54.840 0.026 0.000 0.841 2170 L CB 0.644 42.711 42.059 0.013 0.000 1.218 2170 L HN 0.601 nan 8.230 nan 0.000 0.424 2171 I N 5.691 126.324 120.570 0.106 0.000 2.352 2171 I HA 0.216 4.386 4.170 -0.001 0.000 0.290 2171 I C 0.502 176.734 176.117 0.191 0.000 1.036 2171 I CA 0.310 61.739 61.300 0.215 0.000 1.336 2171 I CB 0.865 38.935 38.000 0.117 0.000 1.407 2171 I HN 0.526 nan 8.210 nan 0.000 0.497 2172 K N 4.286 124.819 120.400 0.222 0.000 2.354 2172 K HA 0.309 4.629 4.320 -0.001 0.000 0.238 2172 K C 0.803 177.336 176.600 -0.113 0.000 1.068 2172 K CA -0.704 55.562 56.287 -0.034 0.000 0.925 2172 K CB 0.789 33.191 32.500 -0.163 0.000 1.286 2172 K HN 0.579 nan 8.250 nan 0.000 0.500 2173 D N 0.742 121.074 120.400 -0.113 0.000 2.116 2173 D HA -0.260 4.380 4.640 -0.001 0.000 0.193 2173 D C 0.802 177.022 176.300 -0.133 0.000 0.998 2173 D CA 1.639 55.587 54.000 -0.087 0.000 0.836 2173 D CB -0.507 40.256 40.800 -0.062 0.000 0.951 2173 D HN 0.420 nan 8.370 nan 0.000 0.449 2174 N N 1.030 119.578 118.700 -0.254 0.000 2.104 2174 N HA -0.173 4.567 4.740 -0.001 0.000 0.190 2174 N C 1.818 177.219 175.510 -0.183 0.000 1.024 2174 N CA 1.260 54.161 53.050 -0.247 0.000 0.853 2174 N CB -0.597 37.696 38.487 -0.324 0.000 1.008 2174 N HN 0.458 nan 8.380 nan 0.000 0.424 2175 H N 0.907 119.978 119.070 0.002 0.000 2.357 2175 H HA 0.058 4.614 4.556 -0.001 0.000 0.301 2175 H C 2.508 177.839 175.328 0.004 0.000 1.082 2175 H CA 0.442 56.491 56.048 0.001 0.000 1.342 2175 H CB -0.653 29.109 29.762 -0.000 0.000 1.389 2175 H HN -0.011 nan 8.280 nan 0.000 0.511 2176 V N 1.516 121.480 119.914 0.083 0.000 2.332 2176 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 2176 V C 2.811 178.925 176.094 0.033 0.000 1.055 2176 V CA 1.658 63.990 62.300 0.052 0.000 1.038 2176 V CB -1.102 30.738 31.823 0.029 0.000 0.651 2176 V HN 0.496 nan 8.190 nan 0.000 0.450 2177 A N 0.108 122.935 122.820 0.012 0.000 1.851 2177 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 2177 A C 2.467 180.063 177.584 0.020 0.000 1.195 2177 A CA 2.430 54.471 52.037 0.008 0.000 0.622 2177 A CB -1.074 17.920 19.000 -0.010 0.000 0.831 2177 A HN 0.594 nan 8.150 nan 0.000 0.444 2178 A N -0.383 122.455 122.820 0.031 0.000 1.908 2178 A HA 0.111 4.431 4.320 -0.001 0.000 0.218 2178 A C 2.473 180.079 177.584 0.036 0.000 1.181 2178 A CA 2.364 54.423 52.037 0.038 0.000 0.627 2178 A CB -1.004 18.032 19.000 0.059 0.000 0.818 2178 A HN 1.176 nan 8.150 nan 0.000 0.445 2179 A N -2.549 120.298 122.820 0.045 0.000 2.014 2179 A HA 0.360 4.680 4.320 -0.001 0.000 0.218 2179 A C 2.103 179.703 177.584 0.027 0.000 1.163 2179 A CA 1.749 53.807 52.037 0.036 0.000 0.652 2179 A CB -0.649 18.376 19.000 0.042 0.000 0.808 2179 A HN 1.847 nan 8.150 nan 0.000 0.449 2180 G N -1.672 107.143 108.800 0.026 0.000 2.659 2180 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.202 2180 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.202 2180 G C 0.504 175.417 174.900 0.021 0.000 1.186 2180 G CA 0.560 45.672 45.100 0.020 0.000 0.783 2180 G HN 1.873 nan 8.290 nan 0.000 0.521 2181 S N -0.838 114.877 115.700 0.025 0.000 2.651 2181 S HA 0.683 5.153 4.470 -0.001 0.000 0.279 2181 S C 1.142 175.761 174.600 0.032 0.000 1.148 2181 S CA 0.372 58.587 58.200 0.026 0.000 0.837 2181 S CB 1.703 64.917 63.200 0.023 0.000 1.138 2181 S HN 1.155 nan 8.310 nan 0.000 0.478 2182 V N 1.034 120.968 119.914 0.033 0.000 2.392 2182 V HA -0.120 4.000 4.120 -0.001 0.000 0.249 2182 V C 2.347 178.462 176.094 0.035 0.000 1.059 2182 V CA 1.853 64.176 62.300 0.038 0.000 1.051 2182 V CB -1.320 30.526 31.823 0.039 0.000 0.658 2182 V HN 0.735 nan 8.190 nan 0.000 0.455 2183 V N 0.191 120.122 119.914 0.030 0.000 2.548 2183 V HA -0.187 3.932 4.120 -0.001 0.000 0.249 2183 V C 2.336 178.443 176.094 0.023 0.000 1.055 2183 V CA 1.895 64.210 62.300 0.025 0.000 1.065 2183 V CB -0.725 31.111 31.823 0.022 0.000 0.681 2183 V HN 0.491 nan 8.190 nan 0.000 0.462 2184 D N 0.953 121.368 120.400 0.024 0.000 2.092 2184 D HA -0.149 4.491 4.640 -0.001 0.000 0.193 2184 D C 2.289 178.603 176.300 0.024 0.000 0.994 2184 D CA 1.896 55.909 54.000 0.022 0.000 0.828 2184 D CB -0.363 40.451 40.800 0.023 0.000 0.963 2184 D HN 0.420 nan 8.370 nan 0.000 0.450 2185 A N 0.914 123.755 122.820 0.034 0.000 1.902 2185 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 2185 A C 2.390 179.989 177.584 0.024 0.000 1.181 2185 A CA 0.931 52.992 52.037 0.040 0.000 0.623 2185 A CB -0.912 18.134 19.000 0.077 0.000 0.818 2185 A HN 0.247 nan 8.150 nan 0.000 0.443 2186 L N -0.957 120.281 121.223 0.026 0.000 1.990 2186 L HA -0.244 4.096 4.340 -0.001 0.000 0.213 2186 L C 2.879 179.754 176.870 0.009 0.000 1.072 2186 L CA 1.495 56.346 54.840 0.018 0.000 0.755 2186 L CB -0.288 41.784 42.059 0.021 0.000 0.889 2186 L HN 0.305 nan 8.230 nan 0.000 0.432 2187 R N -0.184 120.322 120.500 0.010 0.000 2.091 2187 R HA -0.142 4.197 4.340 -0.001 0.000 0.238 2187 R C 2.180 178.480 176.300 0.001 0.000 1.136 2187 R CA 1.426 57.530 56.100 0.006 0.000 0.959 2187 R CB -1.286 29.019 30.300 0.008 0.000 0.856 2187 R HN 0.485 nan 8.270 nan 0.000 0.437 2188 A N 0.773 123.593 122.820 0.000 0.000 1.869 2188 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 2188 A C 2.498 180.073 177.584 -0.016 0.000 1.203 2188 A CA 2.323 54.356 52.037 -0.006 0.000 0.638 2188 A CB -0.879 18.118 19.000 -0.005 0.000 0.831 2188 A HN 0.129 nan 8.150 nan 0.000 0.450 2189 V N 0.095 119.996 119.914 -0.021 0.000 2.407 2189 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 2189 V C 2.661 178.743 176.094 -0.021 0.000 1.055 2189 V CA 1.898 64.179 62.300 -0.032 0.000 1.049 2189 V CB -0.900 30.898 31.823 -0.042 0.000 0.662 2189 V HN 0.437 nan 8.190 nan 0.000 0.455 2190 R N 0.645 121.138 120.500 -0.011 0.000 2.105 2190 R HA -0.107 4.232 4.340 -0.001 0.000 0.239 2190 R C 1.980 178.275 176.300 -0.009 0.000 1.135 2190 R CA 1.329 57.425 56.100 -0.007 0.000 0.967 2190 R CB -0.821 29.478 30.300 -0.002 0.000 0.861 2190 R HN 0.633 nan 8.270 nan 0.000 0.442 2191 N N 0.063 118.757 118.700 -0.009 0.000 2.290 2191 N HA -0.013 4.726 4.740 -0.001 0.000 0.179 2191 N C 1.673 177.176 175.510 -0.013 0.000 1.016 2191 N CA 0.895 53.940 53.050 -0.009 0.000 0.871 2191 N CB 0.090 38.573 38.487 -0.007 0.000 0.987 2191 N HN 0.134 nan 8.380 nan 0.000 0.431 2192 A N 0.970 123.779 122.820 -0.018 0.000 1.898 2192 A HA 0.205 4.525 4.320 -0.001 0.000 0.216 2192 A C 1.239 178.809 177.584 -0.023 0.000 1.181 2192 A CA 1.475 53.498 52.037 -0.022 0.000 0.620 2192 A CB -0.034 18.948 19.000 -0.030 0.000 0.819 2192 A HN 0.253 nan 8.150 nan 0.000 0.442 2193 A N -0.792 122.014 122.820 -0.024 0.000 3.216 2193 A HA 0.558 4.878 4.320 -0.001 0.000 0.321 2193 A C -1.587 175.987 177.584 -0.018 0.000 1.042 2193 A CA -0.686 51.337 52.037 -0.023 0.000 0.838 2193 A CB 0.407 19.389 19.000 -0.030 0.000 1.136 2193 A HN 0.192 nan 8.150 nan 0.000 0.483 2194 P HA -0.190 nan 4.420 nan 0.000 0.223 2194 P C 0.486 177.782 177.300 -0.008 0.000 1.144 2194 P CA 1.458 64.552 63.100 -0.009 0.000 0.783 2194 P CB 0.184 31.879 31.700 -0.008 0.000 0.771 2195 D N -1.283 119.111 120.400 -0.011 0.000 2.305 2195 D HA -0.016 4.623 4.640 -0.001 0.000 0.206 2195 D C 0.809 177.103 176.300 -0.010 0.000 0.974 2195 D CA 0.017 54.011 54.000 -0.010 0.000 0.871 2195 D CB -0.351 40.441 40.800 -0.012 0.000 0.947 2195 D HN 0.138 nan 8.370 nan 0.000 0.516 2196 L N 1.748 122.963 121.223 -0.013 0.000 2.350 2196 L HA 0.359 4.699 4.340 -0.001 0.000 0.275 2196 L C -2.337 174.529 176.870 -0.007 0.000 1.099 2196 L CA -2.018 52.814 54.840 -0.014 0.000 0.808 2196 L CB 1.094 43.140 42.059 -0.022 0.000 1.149 2196 L HN -0.267 nan 8.230 nan 0.000 0.442 2197 P HA 0.132 nan 4.420 nan 0.000 0.271 2197 P C -0.923 176.382 177.300 0.009 0.000 1.226 2197 P CA -0.296 62.809 63.100 0.008 0.000 0.765 2197 P CB 0.423 32.133 31.700 0.016 0.000 0.835 2198 C N 3.938 123.245 119.300 0.012 0.000 2.463 2198 C HA 0.330 4.789 4.460 -0.001 0.000 0.380 2198 C C 0.471 175.478 174.990 0.027 0.000 1.264 2198 C CA -0.008 59.019 59.018 0.013 0.000 2.161 2198 C CB -0.480 27.268 27.740 0.012 0.000 2.515 2198 C HN 0.563 nan 8.230 nan 0.000 0.565 2199 E N 1.314 121.532 120.200 0.030 0.000 2.274 2199 E HA 0.464 4.814 4.350 -0.001 0.000 0.269 2199 E C -1.444 175.180 176.600 0.039 0.000 0.891 2199 E CA -0.341 56.085 56.400 0.043 0.000 0.784 2199 E CB 2.160 31.899 29.700 0.065 0.000 1.225 2199 E HN 0.433 nan 8.360 nan 0.000 0.412 2200 V N 2.515 122.449 119.914 0.034 0.000 2.487 2200 V HA 0.340 4.460 4.120 -0.001 0.000 0.298 2200 V C -0.786 175.321 176.094 0.021 0.000 1.028 2200 V CA -0.500 61.821 62.300 0.035 0.000 0.860 2200 V CB 1.723 33.567 31.823 0.034 0.000 0.991 2200 V HN 0.744 nan 8.190 nan 0.000 0.427 2201 E N 4.743 124.957 120.200 0.024 0.000 2.152 2201 E HA 0.525 4.875 4.350 -0.001 0.000 0.285 2201 E C -0.680 175.927 176.600 0.012 0.000 1.043 2201 E CA -0.441 55.962 56.400 0.005 0.000 0.839 2201 E CB 1.520 31.225 29.700 0.009 0.000 1.069 2201 E HN 0.830 nan 8.360 nan 0.000 0.399 2202 V N 2.069 121.980 119.914 -0.004 0.000 2.628 2202 V HA 0.456 4.576 4.120 -0.001 0.000 0.306 2202 V C -0.194 175.976 176.094 0.126 0.000 1.045 2202 V CA -0.645 61.689 62.300 0.057 0.000 0.905 2202 V CB 1.899 33.769 31.823 0.078 0.000 0.997 2202 V HN 0.750 nan 8.190 nan 0.000 0.436 2203 D N 1.583 122.107 120.400 0.207 0.000 2.479 2203 D HA 0.268 4.908 4.640 -0.001 0.000 0.218 2203 D C 0.369 176.846 176.300 0.294 0.000 1.177 2203 D CA 0.622 54.804 54.000 0.303 0.000 0.830 2203 D CB 0.359 41.245 40.800 0.144 0.000 1.014 2203 D HN 0.995 nan 8.370 nan 0.000 0.503 2204 S N -1.303 114.554 115.700 0.261 0.000 2.625 2204 S HA 0.416 4.886 4.470 -0.001 0.000 0.271 2204 S C 0.324 174.947 174.600 0.039 0.000 1.161 2204 S CA -0.867 57.319 58.200 -0.023 0.000 0.820 2204 S CB 0.802 63.993 63.200 -0.016 0.000 1.137 2204 S HN -0.023 nan 8.310 nan 0.000 0.470 2205 L N 0.799 121.943 121.223 -0.132 0.000 2.395 2205 L HA 0.101 4.441 4.340 -0.001 0.000 0.218 2205 L C 2.078 178.975 176.870 0.045 0.000 1.130 2205 L CA 0.910 55.742 54.840 -0.013 0.000 0.826 2205 L CB -0.417 41.589 42.059 -0.089 0.000 0.941 2205 L HN 0.715 nan 8.230 nan 0.000 0.451 2206 E N -0.156 120.061 120.200 0.028 0.000 2.046 2206 E HA -0.195 4.155 4.350 -0.001 0.000 0.190 2206 E C 2.161 178.792 176.600 0.052 0.000 0.982 2206 E CA 0.968 57.390 56.400 0.036 0.000 0.800 2206 E CB -0.108 29.607 29.700 0.025 0.000 0.756 2206 E HN 0.411 nan 8.360 nan 0.000 0.449 2207 Q N -0.060 119.780 119.800 0.066 0.000 2.170 2207 Q HA -0.120 4.220 4.340 -0.001 0.000 0.203 2207 Q C 2.146 178.192 176.000 0.077 0.000 0.976 2207 Q CA 0.788 56.632 55.803 0.069 0.000 0.858 2207 Q CB -0.135 28.651 28.738 0.079 0.000 0.907 2207 Q HN 0.189 nan 8.270 nan 0.000 0.433 2208 L N 1.410 122.699 121.223 0.110 0.000 1.970 2208 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 2208 L C 1.508 178.420 176.870 0.070 0.000 1.071 2208 L CA 2.034 56.936 54.840 0.103 0.000 0.751 2208 L CB -0.520 41.632 42.059 0.155 0.000 0.889 2208 L HN 0.116 nan 8.230 nan 0.000 0.432 2209 D N -0.005 120.434 120.400 0.065 0.000 2.149 2209 D HA -0.206 4.434 4.640 -0.001 0.000 0.198 2209 D C 2.154 178.478 176.300 0.040 0.000 0.990 2209 D CA 1.576 55.605 54.000 0.049 0.000 0.839 2209 D CB -0.273 40.553 40.800 0.044 0.000 0.948 2209 D HN 0.559 nan 8.370 nan 0.000 0.460 2210 A N 0.711 123.555 122.820 0.041 0.000 1.930 2210 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 2210 A C 2.434 180.038 177.584 0.032 0.000 1.175 2210 A CA 1.943 54.000 52.037 0.034 0.000 0.627 2210 A CB -0.520 18.500 19.000 0.034 0.000 0.815 2210 A HN 0.258 nan 8.150 nan 0.000 0.443 2211 V N -3.060 116.875 119.914 0.036 0.000 3.174 2211 V HA 0.083 4.203 4.120 -0.001 0.000 0.254 2211 V C 2.111 178.222 176.094 0.027 0.000 1.120 2211 V CA 0.851 63.169 62.300 0.031 0.000 1.114 2211 V CB -0.764 31.078 31.823 0.032 0.000 0.756 2211 V HN 0.392 nan 8.190 nan 0.000 0.467 2212 L N 0.989 122.230 121.223 0.030 0.000 2.021 2212 L HA -0.109 4.231 4.340 -0.001 0.000 0.215 2212 L C 0.551 177.434 176.870 0.022 0.000 1.074 2212 L CA 2.743 57.599 54.840 0.027 0.000 0.760 2212 L CB -1.558 40.519 42.059 0.030 0.000 0.889 2212 L HN 0.387 nan 8.230 nan 0.000 0.433 2213 P HA -0.153 nan 4.420 nan 0.000 0.223 2213 P C 0.912 178.222 177.300 0.017 0.000 1.151 2213 P CA 1.144 64.255 63.100 0.018 0.000 0.787 2213 P CB -0.040 31.671 31.700 0.018 0.000 0.788 2214 E N 0.635 120.846 120.200 0.018 0.000 2.338 2214 E HA -0.075 4.275 4.350 -0.001 0.000 0.197 2214 E C 0.454 177.063 176.600 0.015 0.000 1.007 2214 E CA 0.311 56.720 56.400 0.016 0.000 0.849 2214 E CB -0.564 29.147 29.700 0.017 0.000 0.774 2214 E HN 0.341 nan 8.360 nan 0.000 0.506 2215 K N 0.718 121.128 120.400 0.016 0.000 3.393 2215 K HA -0.129 4.190 4.320 -0.001 0.000 0.272 2215 K C -2.373 174.237 176.600 0.016 0.000 1.004 2215 K CA 0.264 56.560 56.287 0.015 0.000 0.764 2215 K CB -1.239 31.269 32.500 0.013 0.000 1.373 2215 K HN 0.237 nan 8.250 nan 0.000 0.458 2216 P HA 0.037 nan 4.420 nan 0.000 0.274 2216 P C 0.431 177.744 177.300 0.022 0.000 1.246 2216 P CA -0.010 63.101 63.100 0.019 0.000 0.795 2216 P CB 0.782 32.495 31.700 0.021 0.000 1.006 2217 E N -0.308 119.907 120.200 0.025 0.000 2.077 2217 E HA -0.002 4.348 4.350 -0.001 0.000 0.193 2217 E C 0.371 176.996 176.600 0.041 0.000 0.989 2217 E CA 1.140 57.559 56.400 0.032 0.000 0.800 2217 E CB -0.087 29.634 29.700 0.034 0.000 0.746 2217 E HN 0.219 nan 8.360 nan 0.000 0.452 2218 L N 0.513 121.761 121.223 0.041 0.000 2.493 2218 L HA 0.430 4.769 4.340 -0.001 0.000 0.265 2218 L C -1.506 175.383 176.870 0.032 0.000 0.954 2218 L CA -0.469 54.400 54.840 0.048 0.000 0.844 2218 L CB 1.451 43.547 42.059 0.061 0.000 1.302 2218 L HN -0.049 nan 8.230 nan 0.000 0.405 2219 I N 4.740 125.319 120.570 0.015 0.000 2.433 2219 I HA 0.340 4.510 4.170 -0.001 0.000 0.292 2219 I C -0.719 175.373 176.117 -0.041 0.000 1.001 2219 I CA -0.779 60.514 61.300 -0.011 0.000 1.119 2219 I CB 2.278 40.264 38.000 -0.024 0.000 1.289 2219 I HN 0.424 nan 8.210 nan 0.000 0.438 2220 L N 6.874 128.065 121.223 -0.054 0.000 2.265 2220 L HA 0.388 4.728 4.340 -0.001 0.000 0.289 2220 L C -0.425 176.323 176.870 -0.204 0.000 1.033 2220 L CA -0.176 54.613 54.840 -0.086 0.000 0.814 2220 L CB 0.988 43.028 42.059 -0.031 0.000 1.203 2220 L HN 0.427 nan 8.230 nan 0.000 0.423 2221 L N 3.821 124.842 121.223 -0.336 0.000 2.312 2221 L HA 0.219 4.558 4.340 -0.001 0.000 0.287 2221 L C -0.197 176.406 176.870 -0.446 0.000 1.091 2221 L CA -0.356 54.038 54.840 -0.743 0.000 0.846 2221 L CB 0.348 41.855 42.059 -0.921 0.000 1.219 2221 L HN 0.530 nan 8.230 nan 0.000 0.439 2222 D N 4.632 124.886 120.400 -0.244 0.000 2.339 2222 D HA 0.055 4.695 4.640 -0.001 0.000 0.241 2222 D C 0.336 176.726 176.300 0.151 0.000 1.183 2222 D CA 0.014 54.002 54.000 -0.021 0.000 0.859 2222 D CB 0.311 41.123 40.800 0.020 0.000 1.067 2222 D HN 0.406 nan 8.370 nan 0.000 0.484 2223 N N 3.273 122.047 118.700 0.123 0.000 2.727 2223 N HA -0.217 4.523 4.740 -0.001 0.000 0.251 2223 N C -1.034 174.671 175.510 0.326 0.000 1.040 2223 N CA 0.504 53.661 53.050 0.180 0.000 0.712 2223 N CB -0.932 37.630 38.487 0.126 0.000 0.912 2223 N HN 0.306 nan 8.380 nan 0.000 0.545 2224 F N 0.923 120.892 119.950 0.032 0.000 2.385 2224 F HA 0.529 5.056 4.527 0.000 0.000 0.336 2224 F C 1.298 177.115 175.800 0.029 0.000 1.100 2224 F CA -1.138 56.844 58.000 -0.030 0.000 1.116 2224 F CB 0.858 39.824 39.000 -0.056 0.000 1.166 2224 F HN 0.165 nan 8.300 nan 0.000 0.511 2225 A N 2.771 125.566 122.820 -0.042 0.000 2.386 2225 A HA 0.333 4.653 4.320 -0.001 0.000 0.246 2225 A C 1.165 178.626 177.584 -0.205 0.000 1.089 2225 A CA -0.359 51.630 52.037 -0.080 0.000 0.790 2225 A CB 0.099 18.991 19.000 -0.180 0.000 1.042 2225 A HN 0.678 nan 8.150 nan 0.000 0.497 2226 V N 1.167 120.911 119.914 -0.285 0.000 2.392 2226 V HA -0.249 3.871 4.120 -0.001 0.000 0.249 2226 V C 2.273 178.268 176.094 -0.166 0.000 1.059 2226 V CA 2.291 64.322 62.300 -0.448 0.000 1.051 2226 V CB -1.233 30.310 31.823 -0.466 0.000 0.658 2226 V HN 1.072 nan 8.190 nan 0.000 0.455 2227 W N 0.863 122.109 121.300 -0.089 0.000 2.374 2227 W HA -0.180 4.480 4.660 -0.000 0.000 0.288 2227 W C 1.788 178.301 176.519 -0.009 0.000 1.218 2227 W CA 1.179 58.496 57.345 -0.046 0.000 1.245 2227 W CB -0.896 28.538 29.460 -0.044 0.000 1.126 2227 W HN 0.302 nan 8.180 nan 0.000 0.545 2228 Q N 0.706 119.886 119.800 -1.034 0.000 2.172 2228 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 2228 Q C 2.320 178.248 176.000 -0.119 0.000 0.964 2228 Q CA 2.261 57.523 55.803 -0.902 0.000 0.855 2228 Q CB -0.345 27.651 28.738 -1.236 0.000 0.918 2228 Q HN 0.179 nan 8.270 nan 0.000 0.444 2229 T N 0.800 115.362 114.554 0.012 0.000 2.777 2229 T HA -0.202 4.148 4.350 -0.001 0.000 0.266 2229 T C 1.749 176.489 174.700 0.067 0.000 1.040 2229 T CA 1.451 63.629 62.100 0.130 0.000 1.141 2229 T CB -0.163 68.770 68.868 0.109 0.000 0.868 2229 T HN 0.173 nan 8.240 nan 0.000 0.444 2230 Q N 1.090 120.913 119.800 0.038 0.000 2.084 2230 Q HA -0.104 4.235 4.340 -0.001 0.000 0.202 2230 Q C 2.271 178.317 176.000 0.076 0.000 0.978 2230 Q CA 1.962 57.799 55.803 0.057 0.000 0.844 2230 Q CB -0.893 27.892 28.738 0.078 0.000 0.898 2230 Q HN 0.459 nan 8.270 nan 0.000 0.426 2231 T N 0.333 114.945 114.554 0.096 0.000 2.674 2231 T HA -0.139 4.210 4.350 -0.001 0.000 0.265 2231 T C 1.757 176.509 174.700 0.087 0.000 1.039 2231 T CA 1.530 63.694 62.100 0.106 0.000 1.150 2231 T CB -0.751 68.191 68.868 0.122 0.000 0.864 2231 T HN 0.483 nan 8.240 nan 0.000 0.427 2232 A N 0.972 123.854 122.820 0.104 0.000 1.917 2232 A HA -0.101 4.219 4.320 -0.001 0.000 0.219 2232 A C 2.589 180.208 177.584 0.060 0.000 1.182 2232 A CA 1.636 53.739 52.037 0.110 0.000 0.633 2232 A CB -1.078 18.012 19.000 0.150 0.000 0.819 2232 A HN 0.373 nan 8.150 nan 0.000 0.448 2233 V N -0.563 119.380 119.914 0.048 0.000 2.358 2233 V HA -0.294 3.826 4.120 -0.001 0.000 0.246 2233 V C 2.619 178.730 176.094 0.029 0.000 1.047 2233 V CA 2.198 64.514 62.300 0.027 0.000 1.035 2233 V CB -0.903 30.932 31.823 0.020 0.000 0.658 2233 V HN 0.637 nan 8.190 nan 0.000 0.452 2234 Q N -0.312 119.512 119.800 0.040 0.000 2.061 2234 Q HA -0.216 4.123 4.340 -0.001 0.000 0.204 2234 Q C 2.528 178.549 176.000 0.036 0.000 0.984 2234 Q CA 1.894 57.719 55.803 0.038 0.000 0.846 2234 Q CB -0.213 28.554 28.738 0.048 0.000 0.902 2234 Q HN 0.563 nan 8.270 nan 0.000 0.421 2235 R N 0.064 120.590 120.500 0.044 0.000 2.073 2235 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 2235 R C 2.420 178.739 176.300 0.032 0.000 1.134 2235 R CA 1.068 57.193 56.100 0.042 0.000 0.952 2235 R CB -0.329 30.003 30.300 0.053 0.000 0.850 2235 R HN 0.128 nan 8.270 nan 0.000 0.433 2236 R N 1.592 122.109 120.500 0.029 0.000 2.070 2236 R HA -0.161 4.179 4.340 -0.001 0.000 0.233 2236 R C 1.273 177.580 176.300 0.013 0.000 1.137 2236 R CA 1.973 58.084 56.100 0.019 0.000 0.945 2236 R CB -0.671 29.636 30.300 0.011 0.000 0.845 2236 R HN 0.137 nan 8.270 nan 0.000 0.430 2237 D N 0.118 120.524 120.400 0.011 0.000 2.158 2237 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 2237 D C 1.892 178.198 176.300 0.010 0.000 0.995 2237 D CA 2.139 56.144 54.000 0.007 0.000 0.846 2237 D CB -0.074 40.730 40.800 0.008 0.000 0.941 2237 D HN 0.464 nan 8.370 nan 0.000 0.456 2238 S N -0.465 115.243 115.700 0.015 0.000 2.439 2238 S HA 0.059 4.528 4.470 -0.001 0.000 0.224 2238 S C 1.809 176.418 174.600 0.015 0.000 1.029 2238 S CA 0.082 58.291 58.200 0.015 0.000 0.946 2238 S CB 0.123 63.334 63.200 0.018 0.000 0.797 2238 S HN 0.181 nan 8.310 nan 0.000 0.504 2239 R N 1.216 121.726 120.500 0.017 0.000 2.206 2239 R HA 0.498 4.837 4.340 -0.001 0.000 0.198 2239 R C 0.367 176.676 176.300 0.015 0.000 0.986 2239 R CA 0.725 56.835 56.100 0.017 0.000 1.029 2239 R CB 0.271 30.584 30.300 0.021 0.000 0.966 2239 R HN 0.400 nan 8.270 nan 0.000 0.487 2240 A N 1.115 123.943 122.820 0.014 0.000 3.307 2240 A HA 0.346 4.665 4.320 -0.001 0.000 0.289 2240 A C -2.351 175.237 177.584 0.008 0.000 1.138 2240 A CA -1.013 51.031 52.037 0.012 0.000 0.860 2240 A CB 0.757 19.765 19.000 0.014 0.000 1.318 2240 A HN -0.099 nan 8.150 nan 0.000 0.551 2241 P HA -0.214 nan 4.420 nan 0.000 0.217 2241 P C 1.695 178.994 177.300 -0.001 0.000 1.148 2241 P CA 2.465 65.566 63.100 0.001 0.000 0.834 2241 P CB 0.058 31.759 31.700 0.001 0.000 0.783 2242 T N -4.111 110.445 114.554 0.003 0.000 3.023 2242 T HA 0.021 4.371 4.350 -0.001 0.000 0.266 2242 T C 0.850 175.554 174.700 0.006 0.000 1.093 2242 T CA 0.159 62.261 62.100 0.004 0.000 1.129 2242 T CB -0.942 67.930 68.868 0.007 0.000 0.899 2242 T HN -0.152 nan 8.240 nan 0.000 0.491 2243 V N 3.790 123.708 119.914 0.007 0.000 2.572 2243 V HA 0.224 4.343 4.120 -0.001 0.000 0.291 2243 V C 0.611 176.707 176.094 0.004 0.000 1.039 2243 V CA -0.289 62.017 62.300 0.010 0.000 1.055 2243 V CB 0.403 32.232 31.823 0.010 0.000 0.969 2243 V HN 0.458 nan 8.190 nan 0.000 0.482 2244 M N 5.347 124.957 119.600 0.017 0.000 2.274 2244 M HA 0.461 4.941 4.480 -0.001 0.000 0.344 2244 M C -0.818 175.490 176.300 0.015 0.000 1.161 2244 M CA -0.548 54.759 55.300 0.012 0.000 1.126 2244 M CB 1.285 33.939 32.600 0.090 0.000 1.522 2244 M HN 0.298 nan 8.290 nan 0.000 0.461 2245 L N 1.778 122.991 121.223 -0.016 0.000 2.365 2245 L HA 0.485 4.824 4.340 -0.001 0.000 0.273 2245 L C -0.381 176.496 176.870 0.011 0.000 1.000 2245 L CA -0.282 54.546 54.840 -0.019 0.000 0.819 2245 L CB 1.759 43.793 42.059 -0.042 0.000 1.284 2245 L HN 0.728 nan 8.230 nan 0.000 0.418 2246 E N 1.336 121.542 120.200 0.010 0.000 2.260 2246 E HA 0.485 4.835 4.350 -0.001 0.000 0.266 2246 E C -1.291 175.285 176.600 -0.041 0.000 0.887 2246 E CA -0.396 56.028 56.400 0.041 0.000 0.777 2246 E CB 1.397 31.140 29.700 0.071 0.000 1.205 2246 E HN 0.582 nan 8.360 nan 0.000 0.414 2247 S N 2.253 117.936 115.700 -0.029 0.000 2.548 2247 S HA 0.365 4.835 4.470 -0.001 0.000 0.277 2247 S C -0.517 174.024 174.600 -0.099 0.000 1.315 2247 S CA -0.356 57.802 58.200 -0.070 0.000 1.050 2247 S CB 1.343 64.529 63.200 -0.022 0.000 0.918 2247 S HN 0.404 nan 8.310 nan 0.000 0.497 2248 S N 1.017 116.648 115.700 -0.114 0.000 2.572 2248 S HA 0.731 5.200 4.470 -0.001 0.000 0.274 2248 S C 0.408 174.963 174.600 -0.075 0.000 1.150 2248 S CA 0.291 58.436 58.200 -0.092 0.000 0.944 2248 S CB 1.032 64.195 63.200 -0.061 0.000 1.071 2248 S HN 1.161 nan 8.310 nan 0.000 0.479 2249 G N 3.401 112.160 108.800 -0.068 0.000 2.134 2249 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.225 2249 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.225 2249 G C 0.713 175.596 174.900 -0.029 0.000 1.944 2249 G CA 0.086 45.169 45.100 -0.028 0.000 1.512 2249 G HN 1.451 nan 8.290 nan 0.000 0.493 2250 G N 0.896 109.675 108.800 -0.034 0.000 3.452 2250 G HA2 0.485 4.444 3.960 -0.001 0.000 0.258 2250 G HA3 0.485 4.444 3.960 -0.001 0.000 0.258 2250 G C -0.072 174.777 174.900 -0.085 0.000 1.305 2250 G CA 0.121 45.216 45.100 -0.008 0.000 1.514 2250 G HN 0.437 nan 8.290 nan 0.000 0.593 2251 L N 1.654 122.816 121.223 -0.102 0.000 2.292 2251 L HA 0.582 4.922 4.340 -0.001 0.000 0.284 2251 L C 0.575 177.583 176.870 0.231 0.000 1.065 2251 L CA -0.747 54.069 54.840 -0.040 0.000 0.806 2251 L CB 1.403 43.428 42.059 -0.058 0.000 1.175 2251 L HN 0.216 nan 8.230 nan 0.000 0.431 2252 S N 2.277 118.126 115.700 0.250 0.000 2.599 2252 S HA 0.435 4.905 4.470 -0.001 0.000 0.287 2252 S C 0.464 174.974 174.600 -0.150 0.000 1.105 2252 S CA -0.710 57.605 58.200 0.192 0.000 0.899 2252 S CB 1.242 64.492 63.200 0.083 0.000 1.100 2252 S HN 0.403 nan 8.310 nan 0.000 0.482 2253 L N 1.549 122.455 121.223 -0.527 0.000 2.265 2253 L HA -0.007 4.332 4.340 -0.001 0.000 0.215 2253 L C 2.473 179.069 176.870 -0.456 0.000 1.117 2253 L CA 1.790 56.033 54.840 -0.995 0.000 0.782 2253 L CB -0.982 40.541 42.059 -0.894 0.000 0.914 2253 L HN 0.814 nan 8.230 nan 0.000 0.441 2254 Q N -1.386 118.281 119.800 -0.222 0.000 2.187 2254 Q HA -0.054 4.285 4.340 -0.001 0.000 0.199 2254 Q C 1.875 177.854 176.000 -0.036 0.000 0.957 2254 Q CA 1.666 57.405 55.803 -0.107 0.000 0.857 2254 Q CB -1.143 27.566 28.738 -0.048 0.000 0.929 2254 Q HN 0.651 nan 8.270 nan 0.000 0.453 2255 T N -2.308 112.260 114.554 0.023 0.000 3.044 2255 T HA 0.427 4.777 4.350 -0.001 0.000 0.250 2255 T C 1.964 176.802 174.700 0.230 0.000 1.081 2255 T CA 0.470 62.668 62.100 0.163 0.000 1.040 2255 T CB 0.035 69.087 68.868 0.307 0.000 0.962 2255 T HN 0.234 nan 8.240 nan 0.000 0.506 2256 A N 2.316 125.189 122.820 0.088 0.000 1.896 2256 A HA -0.003 4.316 4.320 -0.001 0.000 0.220 2256 A C 2.773 180.458 177.584 0.168 0.000 1.206 2256 A CA 2.398 54.520 52.037 0.142 0.000 0.647 2256 A CB -1.517 17.473 19.000 -0.016 0.000 0.828 2256 A HN 0.790 nan 8.150 nan 0.000 0.455 2257 A N -1.680 121.190 122.820 0.084 0.000 1.930 2257 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 2257 A C 2.294 179.931 177.584 0.088 0.000 1.175 2257 A CA 2.217 54.297 52.037 0.072 0.000 0.627 2257 A CB -1.228 17.788 19.000 0.026 0.000 0.815 2257 A HN 0.477 nan 8.150 nan 0.000 0.443 2258 T N -0.949 113.661 114.554 0.094 0.000 2.652 2258 T HA -0.200 4.150 4.350 -0.001 0.000 0.267 2258 T C 1.743 176.463 174.700 0.033 0.000 1.039 2258 T CA 1.981 64.106 62.100 0.041 0.000 1.153 2258 T CB -0.521 68.354 68.868 0.013 0.000 0.863 2258 T HN 0.537 nan 8.240 nan 0.000 0.428 2259 Y N 1.442 121.772 120.300 0.051 0.000 2.165 2259 Y HA -0.062 4.488 4.550 -0.001 0.000 0.286 2259 Y C 2.766 178.691 175.900 0.042 0.000 1.155 2259 Y CA 0.909 59.041 58.100 0.054 0.000 1.164 2259 Y CB -0.793 37.710 38.460 0.071 0.000 0.978 2259 Y HN 0.207 nan 8.280 nan 0.000 0.513 2260 A N 0.060 123.004 122.820 0.206 0.000 1.972 2260 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 2260 A C 1.942 179.565 177.584 0.065 0.000 1.169 2260 A CA 1.838 53.946 52.037 0.118 0.000 0.635 2260 A CB -0.624 18.437 19.000 0.102 0.000 0.810 2260 A HN 0.547 nan 8.150 nan 0.000 0.446 2261 E N -0.488 119.744 120.200 0.053 0.000 2.409 2261 E HA -0.098 4.251 4.350 -0.001 0.000 0.198 2261 E C 1.919 178.530 176.600 0.019 0.000 1.024 2261 E CA 1.081 57.497 56.400 0.027 0.000 0.861 2261 E CB -0.222 29.489 29.700 0.018 0.000 0.788 2261 E HN 0.882 nan 8.360 nan 0.000 0.521 2262 T N -3.245 111.323 114.554 0.023 0.000 2.995 2262 T HA 0.034 4.383 4.350 -0.001 0.000 0.269 2262 T C 1.633 176.343 174.700 0.017 0.000 1.091 2262 T CA 0.785 62.896 62.100 0.018 0.000 1.128 2262 T CB 0.236 69.116 68.868 0.019 0.000 0.891 2262 T HN 0.261 nan 8.240 nan 0.000 0.492 2263 G N 0.805 109.613 108.800 0.013 0.000 2.184 2263 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.206 2263 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.206 2263 G C 0.147 175.032 174.900 -0.026 0.000 0.995 2263 G CA -0.121 44.974 45.100 -0.007 0.000 0.651 2263 G HN 1.362 nan 8.290 nan 0.000 0.511 2264 V N -0.995 118.913 119.914 -0.009 0.000 3.032 2264 V HA 0.416 4.536 4.120 -0.001 0.000 0.307 2264 V C 1.184 177.213 176.094 -0.107 0.000 1.097 2264 V CA 1.245 63.524 62.300 -0.035 0.000 1.191 2264 V CB 0.651 32.481 31.823 0.013 0.000 0.964 2264 V HN 0.199 nan 8.190 nan 0.000 0.494 2265 D N 0.947 121.217 120.400 -0.216 0.000 2.249 2265 D HA 0.171 4.810 4.640 -0.001 0.000 0.205 2265 D C -0.422 175.489 176.300 -0.648 0.000 0.962 2265 D CA 1.308 55.014 54.000 -0.490 0.000 0.860 2265 D CB 0.004 40.376 40.800 -0.714 0.000 0.955 2265 D HN 0.690 nan 8.370 nan 0.000 0.505 2266 Y N -0.809 119.462 120.300 -0.048 0.000 2.597 2266 Y HA 0.517 5.067 4.550 -0.001 0.000 0.340 2266 Y C -1.089 174.775 175.900 -0.060 0.000 1.097 2266 Y CA -1.231 56.829 58.100 -0.067 0.000 1.037 2266 Y CB 1.240 39.624 38.460 -0.127 0.000 1.305 2266 Y HN -0.306 nan 8.280 nan 0.000 0.463 2267 L N 2.089 123.385 121.223 0.122 0.000 2.349 2267 L HA 0.802 5.142 4.340 -0.001 0.000 0.278 2267 L C -0.347 176.486 176.870 -0.061 0.000 0.996 2267 L CA -0.721 54.132 54.840 0.021 0.000 0.825 2267 L CB 1.701 43.790 42.059 0.050 0.000 1.243 2267 L HN 0.784 nan 8.230 nan 0.000 0.412 2268 A N 4.367 127.128 122.820 -0.099 0.000 2.294 2268 A HA 0.667 4.986 4.320 -0.001 0.000 0.316 2268 A C -0.618 176.840 177.584 -0.210 0.000 1.359 2268 A CA -0.427 51.535 52.037 -0.125 0.000 0.956 2268 A CB 0.246 19.211 19.000 -0.058 0.000 1.155 2268 A HN 0.401 nan 8.150 nan 0.000 0.544 2269 V N 3.748 123.471 119.914 -0.319 0.000 2.293 2269 V HA 0.337 4.457 4.120 -0.001 0.000 0.275 2269 V C 1.445 177.302 176.094 -0.395 0.000 1.021 2269 V CA 0.276 62.278 62.300 -0.497 0.000 0.815 2269 V CB 0.737 31.962 31.823 -0.996 0.000 1.025 2269 V HN 1.007 nan 8.190 nan 0.000 0.448 2270 G N 3.410 112.048 108.800 -0.270 0.000 2.443 2270 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.219 2270 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.219 2270 G C 1.519 175.978 174.900 -0.736 0.000 1.131 2270 G CA 0.996 45.953 45.100 -0.238 0.000 0.775 2270 G HN 0.818 nan 8.290 nan 0.000 0.547 2271 A N 0.345 122.708 122.820 -0.762 0.000 2.070 2271 A HA 0.117 4.437 4.320 -0.001 0.000 0.220 2271 A C 2.213 179.514 177.584 -0.471 0.000 1.159 2271 A CA 0.932 52.503 52.037 -0.777 0.000 0.656 2271 A CB -0.239 18.600 19.000 -0.269 0.000 0.800 2271 A HN 0.288 nan 8.150 nan 0.000 0.453 2272 L N 0.059 121.019 121.223 -0.438 0.000 2.131 2272 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 2272 L C 2.714 179.453 176.870 -0.219 0.000 1.092 2272 L CA 2.514 57.172 54.840 -0.302 0.000 0.759 2272 L CB -0.943 40.921 42.059 -0.326 0.000 0.903 2272 L HN 0.683 nan 8.230 nan 0.000 0.435 2273 T N -4.711 109.708 114.554 -0.225 0.000 2.999 2273 T HA 0.099 4.449 4.350 -0.001 0.000 0.247 2273 T C 0.679 175.378 174.700 -0.002 0.000 1.012 2273 T CA 0.059 62.105 62.100 -0.090 0.000 1.048 2273 T CB -0.304 68.537 68.868 -0.044 0.000 1.020 2273 T HN 0.414 nan 8.240 nan 0.000 0.478 2274 H N 0.887 119.953 119.070 -0.006 0.000 2.517 2274 H HA 0.723 5.278 4.556 -0.001 0.000 0.346 2274 H C 0.249 175.586 175.328 0.015 0.000 1.222 2274 H CA -0.603 55.454 56.048 0.015 0.000 1.314 2274 H CB 0.420 30.184 29.762 0.002 0.000 1.609 2274 H HN 0.011 nan 8.280 nan 0.000 0.571 2275 S N -1.120 114.758 115.700 0.297 0.000 3.631 2275 S HA -0.142 4.328 4.470 -0.001 0.000 0.366 2275 S C 0.012 174.641 174.600 0.048 0.000 0.993 2275 S CA 0.586 58.892 58.200 0.177 0.000 1.167 2275 S CB -2.356 60.984 63.200 0.233 0.000 0.909 2275 S HN 1.049 nan 8.310 nan 0.000 0.478 2276 V N -0.620 119.314 119.914 0.034 0.000 2.612 2276 V HA 0.757 4.876 4.120 -0.001 0.000 0.301 2276 V C 0.154 176.240 176.094 -0.014 0.000 1.046 2276 V CA -1.107 61.167 62.300 -0.043 0.000 0.946 2276 V CB 1.913 33.618 31.823 -0.196 0.000 1.003 2276 V HN 0.460 nan 8.190 nan 0.000 0.459 2277 R N 3.997 124.482 120.500 -0.024 0.000 2.295 2277 R HA 0.598 4.937 4.340 -0.001 0.000 0.324 2277 R C -0.808 175.479 176.300 -0.022 0.000 0.968 2277 R CA -0.567 55.532 56.100 -0.002 0.000 0.837 2277 R CB 1.718 32.023 30.300 0.009 0.000 1.133 2277 R HN 0.850 nan 8.270 nan 0.000 0.450 2278 V N 5.632 125.546 119.914 0.000 0.000 2.763 2278 V HA -0.010 4.109 4.120 -0.001 0.000 0.306 2278 V C -0.097 175.995 176.094 -0.003 0.000 1.059 2278 V CA -0.023 62.278 62.300 0.002 0.000 1.138 2278 V CB 0.832 32.678 31.823 0.039 0.000 0.940 2278 V HN 0.636 nan 8.190 nan 0.000 0.489 2279 L N 6.098 127.317 121.223 -0.007 0.000 2.278 2279 L HA 0.390 4.730 4.340 -0.001 0.000 0.287 2279 L C -0.001 176.872 176.870 0.005 0.000 1.072 2279 L CA 0.049 54.886 54.840 -0.004 0.000 0.819 2279 L CB 0.817 42.871 42.059 -0.009 0.000 1.176 2279 L HN 0.730 nan 8.230 nan 0.000 0.435 2280 D N 5.651 126.054 120.400 0.005 0.000 2.382 2280 D HA 0.259 4.899 4.640 -0.001 0.000 0.259 2280 D C -0.580 175.723 176.300 0.005 0.000 1.224 2280 D CA 0.525 54.529 54.000 0.007 0.000 0.894 2280 D CB 0.231 41.035 40.800 0.006 0.000 1.127 2280 D HN 0.436 nan 8.370 nan 0.000 0.487 2281 I N 2.306 122.880 120.570 0.007 0.000 2.686 2281 I HA 0.556 4.726 4.170 -0.001 0.000 0.295 2281 I C 0.597 176.716 176.117 0.003 0.000 1.114 2281 I CA -1.073 60.230 61.300 0.005 0.000 1.038 2281 I CB 2.440 40.443 38.000 0.006 0.000 1.238 2281 I HN 0.369 nan 8.210 nan 0.000 0.420 2282 G N 3.773 112.574 108.800 0.001 0.000 2.569 2282 G HA2 0.666 4.625 3.960 -0.001 0.000 0.300 2282 G HA3 0.666 4.625 3.960 -0.001 0.000 0.300 2282 G C -1.927 172.971 174.900 -0.003 0.000 1.269 2282 G CA -0.560 44.540 45.100 -0.000 0.000 0.959 2282 G HN 0.377 nan 8.290 nan 0.000 0.478 2283 L N 0.965 122.185 121.223 -0.004 0.000 2.276 2283 L HA 0.542 4.882 4.340 -0.001 0.000 0.286 2283 L C -1.214 175.654 176.870 -0.004 0.000 1.024 2283 L CA -0.848 53.987 54.840 -0.007 0.000 0.826 2283 L CB 1.276 43.328 42.059 -0.011 0.000 1.211 2283 L HN 0.250 nan 8.230 nan 0.000 0.422 2284 D N 6.482 126.880 120.400 -0.002 0.000 2.303 2284 D HA 0.482 5.122 4.640 -0.001 0.000 0.236 2284 D C -0.111 176.189 176.300 0.001 0.000 1.068 2284 D CA 0.088 54.088 54.000 -0.000 0.000 0.830 2284 D CB 1.651 42.452 40.800 0.001 0.000 1.109 2284 D HN 0.532 nan 8.370 nan 0.000 0.496 2285 M N 0.000 119.601 119.600 0.001 0.000 2.572 2285 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 2285 M CA 0.000 55.302 55.300 0.003 0.000 0.988 2285 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2285 M HN 0.000 nan 8.290 nan 0.000 0.411