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 1ky4_1_C DATA FIRST_RESID 2004 DATA SEQUENCE LPYKVADIGL AAWGRKALDI AENEMPGLMR MREMYSASKP LKGARIAGCL DATA SEQUENCE HMTVETAVLI ETLVALGAEV RWSSCNIFST QDHAAAAIAK AGIPVFAWKG DATA SEQUENCE ETDEEYLWCI EQTLHFKDGP LNMILDDGGD LTNLIHTKHP QLLSGIRGIS DATA SEQUENCE EETTTGVHNL YKMMANGILK VPAINVNDSV TKSKFDNLYG CRESLIDGIK DATA SEQUENCE RATDVMIAGK VAVVAGYGDV GKGCAQALRG FGARVIITEI DPINALQAAM DATA SEQUENCE EGYEVTTMDE ACKEGNIFVT TTGCVDIILG RHFEQMKDDA IVCNIGHFDV DATA SEQUENCE EIDVKWLNEN AVEKVNIKPQ VDRYLLKNGH RIILLAEGRL VNLGCAMGHP DATA SEQUENCE SFVMSNSFTN QVMAQIELWT HPDKYPVGVH FLPKKLDEAV AEAHLGKLNV DATA SEQUENCE KLTKLTEKQA QYLGMPINGP FKPDHYRY 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2004 L C 0.000 176.919 176.870 0.082 0.000 1.165 2004 L CA 0.000 54.909 54.840 0.116 0.000 0.813 2004 L CB 0.000 42.252 42.059 0.321 0.000 0.961 2005 P HA 0.060 nan 4.420 nan 0.000 0.222 2005 P C -0.812 176.361 177.300 -0.212 0.000 1.157 2005 P CA 0.986 63.963 63.100 -0.206 0.000 0.816 2005 P CB 0.395 31.855 31.700 -0.400 0.000 0.813 2006 Y N -4.186 116.044 120.300 -0.116 0.000 2.851 2006 Y HA 0.684 5.230 4.550 -0.006 0.000 0.359 2006 Y C -1.277 174.601 175.900 -0.036 0.000 1.231 2006 Y CA -2.070 55.750 58.100 -0.466 0.000 1.106 2006 Y CB 0.057 38.290 38.460 -0.377 0.000 1.409 2006 Y HN -0.430 nan 8.280 nan 0.000 0.454 2007 K N 2.028 122.675 120.400 0.411 0.000 2.705 2007 K HA 0.656 4.973 4.320 -0.006 0.000 0.238 2007 K C -1.901 175.048 176.600 0.581 0.000 0.996 2007 K CA -0.312 56.354 56.287 0.631 0.000 1.007 2007 K CB 1.791 34.942 32.500 1.086 0.000 1.206 2007 K HN 0.681 nan 8.250 nan 0.000 0.488 2008 V N 1.826 121.962 119.914 0.370 0.000 2.919 2008 V HA 0.412 4.528 4.120 -0.006 0.000 0.316 2008 V C 1.317 177.510 176.094 0.166 0.000 1.077 2008 V CA -0.365 62.094 62.300 0.264 0.000 0.977 2008 V CB 1.795 33.634 31.823 0.027 0.000 1.039 2008 V HN 0.768 nan 8.190 nan 0.000 0.441 2009 A N 1.822 124.760 122.820 0.196 0.000 1.858 2009 A HA -0.051 4.265 4.320 -0.006 0.000 0.216 2009 A C 0.825 178.448 177.584 0.066 0.000 1.190 2009 A CA 2.178 54.271 52.037 0.094 0.000 0.617 2009 A CB -0.182 18.929 19.000 0.185 0.000 0.827 2009 A HN 0.857 nan 8.150 nan 0.000 0.443 2010 D N -2.316 118.141 120.400 0.095 0.000 2.478 2010 D HA 0.303 4.940 4.640 -0.006 0.000 0.240 2010 D C -0.137 176.209 176.300 0.075 0.000 1.364 2010 D CA -0.562 53.488 54.000 0.084 0.000 0.987 2010 D CB 0.652 41.513 40.800 0.102 0.000 1.328 2010 D HN 0.013 nan 8.370 nan 0.000 0.584 2011 I N 2.848 123.449 120.570 0.052 0.000 3.176 2011 I HA 0.183 4.349 4.170 -0.006 0.000 0.275 2011 I C 1.874 178.018 176.117 0.045 0.000 1.298 2011 I CA 0.899 62.206 61.300 0.012 0.000 1.445 2011 I CB 0.216 38.219 38.000 0.005 0.000 1.075 2011 I HN 0.563 nan 8.210 nan 0.000 0.482 2012 G N -0.079 108.764 108.800 0.072 0.000 2.679 2012 G HA2 -0.105 3.851 3.960 -0.006 0.000 0.212 2012 G HA3 -0.105 3.851 3.960 -0.006 0.000 0.212 2012 G C 1.261 176.236 174.900 0.125 0.000 1.137 2012 G CA 0.130 45.279 45.100 0.081 0.000 0.787 2012 G HN 0.299 nan 8.290 nan 0.000 0.534 2013 L N 0.753 122.072 121.223 0.160 0.000 2.446 2013 L HA 0.344 4.680 4.340 -0.006 0.000 0.219 2013 L C 2.940 179.946 176.870 0.226 0.000 1.116 2013 L CA 0.553 55.564 54.840 0.286 0.000 0.844 2013 L CB -0.734 41.519 42.059 0.323 0.000 0.970 2013 L HN 0.238 nan 8.230 nan 0.000 0.457 2014 A N 0.363 123.242 122.820 0.098 0.000 1.896 2014 A HA -0.321 3.995 4.320 -0.006 0.000 0.220 2014 A C 2.512 180.132 177.584 0.061 0.000 1.206 2014 A CA 2.352 54.406 52.037 0.027 0.000 0.647 2014 A CB -0.927 18.066 19.000 -0.012 0.000 0.828 2014 A HN 0.392 nan 8.150 nan 0.000 0.455 2015 A N -2.256 120.629 122.820 0.108 0.000 1.978 2015 A HA -0.164 4.152 4.320 -0.006 0.000 0.220 2015 A C 1.923 179.630 177.584 0.206 0.000 1.170 2015 A CA 1.795 53.905 52.037 0.121 0.000 0.636 2015 A CB -0.749 18.317 19.000 0.110 0.000 0.810 2015 A HN 1.023 nan 8.150 nan 0.000 0.448 2016 W N 0.653 121.990 121.300 0.062 0.000 2.576 2016 W HA 0.179 4.835 4.660 -0.007 0.000 0.270 2016 W C 1.907 178.539 176.519 0.189 0.000 1.255 2016 W CA 0.629 58.036 57.345 0.103 0.000 1.314 2016 W CB -0.628 28.887 29.460 0.091 0.000 1.101 2016 W HN 0.167 nan 8.180 nan 0.000 0.595 2017 G N 0.842 109.627 108.800 -0.025 0.000 2.394 2017 G HA2 -0.274 3.682 3.960 -0.006 0.000 0.214 2017 G HA3 -0.274 3.682 3.960 -0.006 0.000 0.214 2017 G C 1.574 176.351 174.900 -0.205 0.000 1.176 2017 G CA 1.044 45.941 45.100 -0.339 0.000 0.786 2017 G HN 0.190 nan 8.290 nan 0.000 0.533 2018 R N 1.240 121.688 120.500 -0.088 0.000 2.103 2018 R HA -0.093 4.243 4.340 -0.006 0.000 0.242 2018 R C 2.478 178.764 176.300 -0.023 0.000 1.142 2018 R CA 1.542 57.607 56.100 -0.059 0.000 0.960 2018 R CB -0.296 29.992 30.300 -0.020 0.000 0.858 2018 R HN 0.226 nan 8.270 nan 0.000 0.439 2019 K N 0.143 120.566 120.400 0.037 0.000 2.032 2019 K HA -0.107 4.210 4.320 -0.006 0.000 0.209 2019 K C 2.077 178.705 176.600 0.046 0.000 1.048 2019 K CA 1.630 57.962 56.287 0.074 0.000 0.927 2019 K CB -0.756 31.846 32.500 0.170 0.000 0.712 2019 K HN 0.313 nan 8.250 nan 0.000 0.441 2020 A N 2.297 125.126 122.820 0.015 0.000 1.858 2020 A HA -0.130 4.186 4.320 -0.006 0.000 0.216 2020 A C 2.421 179.979 177.584 -0.043 0.000 1.190 2020 A CA 1.300 53.333 52.037 -0.006 0.000 0.617 2020 A CB -0.770 18.190 19.000 -0.067 0.000 0.827 2020 A HN 0.165 nan 8.150 nan 0.000 0.443 2021 L N -0.254 120.910 121.223 -0.098 0.000 1.997 2021 L HA -0.265 4.071 4.340 -0.006 0.000 0.216 2021 L C 1.920 178.763 176.870 -0.044 0.000 1.074 2021 L CA 2.131 56.918 54.840 -0.089 0.000 0.763 2021 L CB -1.157 40.833 42.059 -0.116 0.000 0.890 2021 L HN 0.364 nan 8.230 nan 0.000 0.434 2022 D N -0.428 119.956 120.400 -0.027 0.000 2.350 2022 D HA -0.062 4.574 4.640 -0.006 0.000 0.216 2022 D C 2.118 178.421 176.300 0.005 0.000 0.968 2022 D CA 0.798 54.792 54.000 -0.010 0.000 0.894 2022 D CB 0.127 40.925 40.800 -0.002 0.000 0.909 2022 D HN 0.388 nan 8.370 nan 0.000 0.520 2023 I N 0.187 120.765 120.570 0.013 0.000 2.628 2023 I HA -0.013 4.154 4.170 -0.006 0.000 0.255 2023 I C 2.267 178.400 176.117 0.026 0.000 1.119 2023 I CA 0.373 61.689 61.300 0.026 0.000 1.448 2023 I CB -0.126 37.900 38.000 0.042 0.000 1.133 2023 I HN -0.078 nan 8.210 nan 0.000 0.438 2024 A N 0.925 123.757 122.820 0.019 0.000 1.933 2024 A HA -0.205 4.111 4.320 -0.006 0.000 0.218 2024 A C 2.098 179.695 177.584 0.021 0.000 1.175 2024 A CA 1.497 53.549 52.037 0.025 0.000 0.628 2024 A CB -0.554 18.454 19.000 0.014 0.000 0.814 2024 A HN 0.421 nan 8.150 nan 0.000 0.444 2025 E N -0.021 120.181 120.200 0.004 0.000 2.097 2025 E HA -0.234 4.112 4.350 -0.006 0.000 0.196 2025 E C 1.765 178.367 176.600 0.005 0.000 1.000 2025 E CA 1.415 57.812 56.400 -0.004 0.000 0.804 2025 E CB -0.353 29.338 29.700 -0.015 0.000 0.740 2025 E HN 0.732 nan 8.360 nan 0.000 0.454 2026 N N 0.169 118.879 118.700 0.016 0.000 2.364 2026 N HA -0.139 4.597 4.740 -0.006 0.000 0.183 2026 N C 1.245 176.786 175.510 0.053 0.000 1.022 2026 N CA 0.459 53.524 53.050 0.025 0.000 0.883 2026 N CB 0.180 38.681 38.487 0.024 0.000 0.965 2026 N HN 0.098 nan 8.380 nan 0.000 0.438 2027 E N -0.108 120.135 120.200 0.071 0.000 2.481 2027 E HA 0.143 4.489 4.350 -0.006 0.000 0.198 2027 E C -0.119 176.573 176.600 0.154 0.000 1.027 2027 E CA 0.179 56.666 56.400 0.146 0.000 0.900 2027 E CB 0.525 30.306 29.700 0.136 0.000 0.993 2027 E HN 0.371 nan 8.360 nan 0.000 0.482 2028 M N 0.948 120.569 119.600 0.034 0.000 2.488 2028 M HA 0.217 4.693 4.480 -0.006 0.000 0.204 2028 M C -2.081 174.134 176.300 -0.142 0.000 0.969 2028 M CA -1.659 53.602 55.300 -0.064 0.000 0.720 2028 M CB 1.537 34.121 32.600 -0.027 0.000 1.427 2028 M HN -0.239 nan 8.290 nan 0.000 0.427 2029 P HA -0.070 nan 4.420 nan 0.000 0.218 2029 P C 1.555 178.616 177.300 -0.398 0.000 1.149 2029 P CA 1.204 64.135 63.100 -0.283 0.000 0.817 2029 P CB 0.145 31.686 31.700 -0.266 0.000 0.785 2030 G N 0.500 108.889 108.800 -0.685 0.000 2.491 2030 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.218 2030 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.218 2030 G C 1.493 176.317 174.900 -0.128 0.000 1.180 2030 G CA 0.780 45.637 45.100 -0.405 0.000 0.774 2030 G HN 0.228 nan 8.290 nan 0.000 0.562 2031 L N -0.011 121.163 121.223 -0.083 0.000 2.083 2031 L HA -0.079 4.257 4.340 -0.006 0.000 0.209 2031 L C 3.073 179.928 176.870 -0.025 0.000 1.083 2031 L CA 0.766 55.595 54.840 -0.018 0.000 0.752 2031 L CB -0.380 41.681 42.059 0.003 0.000 0.899 2031 L HN 0.168 nan 8.230 nan 0.000 0.433 2032 M N -0.750 118.817 119.600 -0.056 0.000 2.200 2032 M HA -0.145 4.331 4.480 -0.006 0.000 0.265 2032 M C 2.308 178.586 176.300 -0.036 0.000 1.066 2032 M CA 1.471 56.745 55.300 -0.043 0.000 1.127 2032 M CB -1.146 31.423 32.600 -0.051 0.000 1.379 2032 M HN 0.194 nan 8.290 nan 0.000 0.420 2033 R N -0.352 120.116 120.500 -0.054 0.000 2.148 2033 R HA -0.062 4.274 4.340 -0.006 0.000 0.223 2033 R C 2.041 178.345 176.300 0.007 0.000 1.088 2033 R CA 0.786 56.861 56.100 -0.041 0.000 0.985 2033 R CB 0.129 30.395 30.300 -0.057 0.000 0.880 2033 R HN 0.121 nan 8.270 nan 0.000 0.451 2034 M N 0.475 120.114 119.600 0.065 0.000 2.086 2034 M HA -0.151 4.325 4.480 -0.006 0.000 0.261 2034 M C 1.993 178.412 176.300 0.198 0.000 1.067 2034 M CA 1.729 57.157 55.300 0.214 0.000 1.116 2034 M CB -0.786 31.907 32.600 0.154 0.000 1.348 2034 M HN 0.089 nan 8.290 nan 0.000 0.407 2035 R N -0.645 119.906 120.500 0.085 0.000 2.120 2035 R HA -0.146 4.190 4.340 -0.006 0.000 0.234 2035 R C 2.151 178.461 176.300 0.016 0.000 1.123 2035 R CA 1.287 57.420 56.100 0.054 0.000 0.975 2035 R CB -0.373 29.936 30.300 0.015 0.000 0.866 2035 R HN 0.503 nan 8.270 nan 0.000 0.446 2036 E N 0.854 121.044 120.200 -0.016 0.000 2.085 2036 E HA -0.184 4.162 4.350 -0.006 0.000 0.194 2036 E C 1.841 178.379 176.600 -0.104 0.000 0.994 2036 E CA 1.661 58.029 56.400 -0.052 0.000 0.801 2036 E CB 0.162 29.828 29.700 -0.057 0.000 0.743 2036 E HN 0.350 nan 8.360 nan 0.000 0.453 2037 M N -2.253 117.226 119.600 -0.202 0.000 2.367 2037 M HA 0.143 4.620 4.480 -0.006 0.000 0.256 2037 M C 0.562 176.565 176.300 -0.494 0.000 1.091 2037 M CA 0.436 55.494 55.300 -0.402 0.000 1.049 2037 M CB 0.471 32.695 32.600 -0.628 0.000 1.406 2037 M HN -0.005 nan 8.290 nan 0.000 0.498 2038 Y N 0.627 120.934 120.300 0.011 0.000 2.430 2038 Y HA 0.233 4.780 4.550 -0.006 0.000 0.254 2038 Y C 2.789 178.696 175.900 0.013 0.000 1.088 2038 Y CA 0.417 58.528 58.100 0.018 0.000 1.267 2038 Y CB -0.085 38.390 38.460 0.025 0.000 1.204 2038 Y HN 0.360 nan 8.280 nan 0.000 0.515 2039 S N 0.422 116.197 115.700 0.125 0.000 2.465 2039 S HA -0.199 4.267 4.470 -0.006 0.000 0.241 2039 S C 1.913 176.546 174.600 0.055 0.000 1.000 2039 S CA 1.216 59.460 58.200 0.074 0.000 0.964 2039 S CB -0.260 62.962 63.200 0.037 0.000 0.763 2039 S HN 0.352 nan 8.310 nan 0.000 0.512 2040 A N 1.251 124.100 122.820 0.049 0.000 1.901 2040 A HA 0.253 4.569 4.320 -0.006 0.000 0.210 2040 A C 2.334 179.951 177.584 0.055 0.000 1.208 2040 A CA 0.938 52.997 52.037 0.036 0.000 0.644 2040 A CB -0.717 18.292 19.000 0.014 0.000 0.863 2040 A HN 0.615 nan 8.150 nan 0.000 0.454 2041 S N 0.597 116.346 115.700 0.082 0.000 2.481 2041 S HA 0.000 4.466 4.470 -0.006 0.000 0.231 2041 S C 0.378 175.046 174.600 0.113 0.000 0.996 2041 S CA 0.600 58.862 58.200 0.103 0.000 0.942 2041 S CB -0.208 63.081 63.200 0.149 0.000 0.768 2041 S HN 0.509 nan 8.310 nan 0.000 0.520 2042 K N 0.570 121.041 120.400 0.118 0.000 3.451 2042 K HA -0.134 4.182 4.320 -0.006 0.000 0.273 2042 K C -2.162 174.507 176.600 0.113 0.000 0.944 2042 K CA 0.752 57.097 56.287 0.097 0.000 0.734 2042 K CB -1.684 30.858 32.500 0.070 0.000 1.437 2042 K HN 0.381 nan 8.250 nan 0.000 0.454 2043 P HA -0.183 nan 4.420 nan 0.000 0.217 2043 P C 1.109 178.544 177.300 0.225 0.000 1.148 2043 P CA 1.254 64.428 63.100 0.124 0.000 0.828 2043 P CB 0.093 31.796 31.700 0.005 0.000 0.783 2044 L N -1.220 120.065 121.223 0.105 0.000 2.629 2044 L HA 0.164 4.500 4.340 -0.006 0.000 0.230 2044 L C 1.340 178.145 176.870 -0.108 0.000 1.151 2044 L CA -0.348 54.448 54.840 -0.074 0.000 0.924 2044 L CB -0.507 41.418 42.059 -0.223 0.000 1.137 2044 L HN -0.104 nan 8.230 nan 0.000 0.457 2045 K N 1.583 122.058 120.400 0.124 0.000 2.453 2045 K HA 0.108 4.424 4.320 -0.006 0.000 0.280 2045 K C 1.014 177.747 176.600 0.222 0.000 1.045 2045 K CA 1.155 57.507 56.287 0.108 0.000 1.059 2045 K CB 0.344 32.919 32.500 0.125 0.000 0.901 2045 K HN 0.325 nan 8.250 nan 0.000 0.475 2046 G N 2.336 111.164 108.800 0.047 0.000 2.307 2046 G HA2 -0.238 3.718 3.960 -0.006 0.000 0.210 2046 G HA3 -0.238 3.718 3.960 -0.006 0.000 0.210 2046 G C 0.076 174.779 174.900 -0.329 0.000 1.005 2046 G CA -0.005 45.174 45.100 0.132 0.000 0.634 2046 G HN 0.914 nan 8.290 nan 0.000 0.496 2047 A N 0.443 122.615 122.820 -1.079 0.000 2.351 2047 A HA 0.752 5.068 4.320 -0.006 0.000 0.257 2047 A C 0.602 177.742 177.584 -0.740 0.000 1.087 2047 A CA 0.142 51.280 52.037 -1.498 0.000 0.798 2047 A CB 0.317 18.180 19.000 -1.894 0.000 1.033 2047 A HN 0.456 nan 8.150 nan 0.000 0.488 2048 R N 1.876 121.941 120.500 -0.725 0.000 2.443 2048 R HA 0.301 4.638 4.340 -0.006 0.000 0.287 2048 R C -1.450 174.508 176.300 -0.570 0.000 1.425 2048 R CA -0.213 55.346 56.100 -0.902 0.000 1.300 2048 R CB 0.736 29.971 30.300 -1.775 0.000 1.129 2048 R HN 0.672 nan 8.270 nan 0.000 0.577 2049 I N 2.097 122.569 120.570 -0.163 0.000 2.452 2049 I HA 0.096 4.262 4.170 -0.006 0.000 0.287 2049 I C 0.653 176.864 176.117 0.156 0.000 1.079 2049 I CA 0.207 61.492 61.300 -0.025 0.000 1.387 2049 I CB 1.225 39.223 38.000 -0.003 0.000 1.404 2049 I HN 0.448 nan 8.210 nan 0.000 0.522 2050 A N 5.935 128.766 122.820 0.020 0.000 2.260 2050 A HA 0.691 5.007 4.320 -0.006 0.000 0.312 2050 A C 0.350 177.702 177.584 -0.386 0.000 1.321 2050 A CA -0.349 51.641 52.037 -0.079 0.000 0.928 2050 A CB 0.065 19.013 19.000 -0.087 0.000 1.158 2050 A HN 0.800 nan 8.150 nan 0.000 0.542 2051 G N 0.066 108.409 108.800 -0.763 0.000 2.388 2051 G HA2 0.474 4.430 3.960 -0.006 0.000 0.330 2051 G HA3 0.474 4.430 3.960 -0.006 0.000 0.330 2051 G C -0.758 173.225 174.900 -1.529 0.000 1.142 2051 G CA -0.356 43.764 45.100 -1.633 0.000 0.908 2051 G HN 0.984 nan 8.290 nan 0.000 0.473 2052 C N 4.254 122.947 119.300 -1.012 0.000 2.437 2052 C HA 0.800 5.256 4.460 -0.006 0.000 0.307 2052 C C -0.567 174.180 174.990 -0.405 0.000 1.093 2052 C CA -0.620 58.025 59.018 -0.622 0.000 1.463 2052 C CB -1.805 25.697 27.740 -0.396 0.000 1.926 2052 C HN 0.657 nan 8.230 nan 0.000 0.420 2053 L N 6.069 127.148 121.223 -0.240 0.000 2.513 2053 L HA 0.490 4.826 4.340 -0.006 0.000 0.261 2053 L C -0.401 176.552 176.870 0.139 0.000 0.945 2053 L CA -0.503 54.339 54.840 0.004 0.000 0.848 2053 L CB 1.845 44.061 42.059 0.262 0.000 1.334 2053 L HN 0.636 nan 8.230 nan 0.000 0.407 2054 H N 3.559 122.745 119.070 0.194 0.000 3.195 2054 H HA -0.095 4.457 4.556 -0.006 0.000 0.302 2054 H C 0.032 175.460 175.328 0.168 0.000 0.950 2054 H CA 0.035 56.184 56.048 0.168 0.000 1.398 2054 H CB 0.410 30.268 29.762 0.160 0.000 1.377 2054 H HN 0.369 nan 8.280 nan 0.000 0.572 2055 M N 4.714 124.452 119.600 0.231 0.000 2.383 2055 M HA 0.083 4.559 4.480 -0.006 0.000 0.337 2055 M C -0.343 175.996 176.300 0.065 0.000 1.422 2055 M CA -0.127 55.243 55.300 0.116 0.000 1.333 2055 M CB -0.430 32.222 32.600 0.088 0.000 1.488 2055 M HN 0.693 nan 8.290 nan 0.000 0.454 2056 T N 0.398 114.978 114.554 0.043 0.000 2.888 2056 T HA 0.531 4.877 4.350 -0.006 0.000 0.288 2056 T C 0.912 175.573 174.700 -0.065 0.000 1.063 2056 T CA -0.924 61.186 62.100 0.017 0.000 1.010 2056 T CB 0.821 69.745 68.868 0.094 0.000 1.214 2056 T HN 0.183 nan 8.240 nan 0.000 0.533 2057 V N 0.943 120.800 119.914 -0.095 0.000 2.324 2057 V HA -0.170 3.947 4.120 -0.006 0.000 0.250 2057 V C 2.686 178.751 176.094 -0.047 0.000 1.060 2057 V CA 2.289 64.506 62.300 -0.139 0.000 1.042 2057 V CB -1.137 30.614 31.823 -0.119 0.000 0.650 2057 V HN 0.888 nan 8.190 nan 0.000 0.450 2058 E N 0.167 120.407 120.200 0.066 0.000 2.031 2058 E HA -0.157 4.189 4.350 -0.006 0.000 0.193 2058 E C 2.337 179.076 176.600 0.232 0.000 0.994 2058 E CA 1.871 58.393 56.400 0.204 0.000 0.800 2058 E CB -0.721 29.162 29.700 0.305 0.000 0.752 2058 E HN 0.574 nan 8.360 nan 0.000 0.447 2059 T N 0.536 115.169 114.554 0.131 0.000 2.833 2059 T HA -0.146 4.200 4.350 -0.006 0.000 0.269 2059 T C 1.864 176.307 174.700 -0.428 0.000 1.054 2059 T CA 1.137 63.055 62.100 -0.304 0.000 1.135 2059 T CB -0.312 68.441 68.868 -0.192 0.000 0.869 2059 T HN 0.273 nan 8.240 nan 0.000 0.466 2060 A N 1.108 123.753 122.820 -0.291 0.000 1.873 2060 A HA -0.033 4.283 4.320 -0.006 0.000 0.215 2060 A C 2.567 179.979 177.584 -0.286 0.000 1.186 2060 A CA 1.272 53.108 52.037 -0.334 0.000 0.616 2060 A CB -0.965 17.876 19.000 -0.266 0.000 0.823 2060 A HN 0.364 nan 8.150 nan 0.000 0.442 2061 V N 0.101 119.909 119.914 -0.177 0.000 2.407 2061 V HA -0.236 3.880 4.120 -0.006 0.000 0.248 2061 V C 2.498 178.505 176.094 -0.145 0.000 1.055 2061 V CA 1.910 64.138 62.300 -0.120 0.000 1.049 2061 V CB -0.936 30.865 31.823 -0.036 0.000 0.662 2061 V HN 0.636 nan 8.190 nan 0.000 0.455 2062 L N 0.462 121.565 121.223 -0.201 0.000 1.976 2062 L HA -0.114 4.222 4.340 -0.006 0.000 0.209 2062 L C 2.231 178.902 176.870 -0.333 0.000 1.071 2062 L CA 1.887 56.578 54.840 -0.249 0.000 0.746 2062 L CB -0.698 41.083 42.059 -0.462 0.000 0.890 2062 L HN 0.228 nan 8.230 nan 0.000 0.432 2063 I N 0.002 120.236 120.570 -0.559 0.000 2.113 2063 I HA -0.357 3.809 4.170 -0.006 0.000 0.242 2063 I C 2.453 178.385 176.117 -0.309 0.000 1.064 2063 I CA 1.984 62.925 61.300 -0.598 0.000 1.320 2063 I CB -0.621 36.886 38.000 -0.821 0.000 1.028 2063 I HN 0.402 nan 8.210 nan 0.000 0.406 2064 E N -0.027 120.020 120.200 -0.255 0.000 2.333 2064 E HA -0.163 4.183 4.350 -0.006 0.000 0.198 2064 E C 2.047 178.581 176.600 -0.110 0.000 1.007 2064 E CA 1.448 57.753 56.400 -0.158 0.000 0.845 2064 E CB -0.065 29.552 29.700 -0.139 0.000 0.766 2064 E HN 0.539 nan 8.360 nan 0.000 0.507 2065 T N 0.901 115.386 114.554 -0.114 0.000 2.851 2065 T HA -0.012 4.334 4.350 -0.006 0.000 0.262 2065 T C 1.916 176.583 174.700 -0.053 0.000 1.043 2065 T CA 0.400 62.463 62.100 -0.062 0.000 1.140 2065 T CB -0.017 68.824 68.868 -0.046 0.000 0.872 2065 T HN 0.089 nan 8.240 nan 0.000 0.446 2066 L N 0.821 121.994 121.223 -0.083 0.000 2.046 2066 L HA -0.090 4.246 4.340 -0.006 0.000 0.208 2066 L C 2.607 179.444 176.870 -0.055 0.000 1.077 2066 L CA 0.926 55.728 54.840 -0.062 0.000 0.747 2066 L CB -0.607 41.421 42.059 -0.051 0.000 0.896 2066 L HN 0.142 nan 8.230 nan 0.000 0.432 2067 V N -0.106 119.770 119.914 -0.063 0.000 2.358 2067 V HA -0.228 3.888 4.120 -0.006 0.000 0.246 2067 V C 2.636 178.712 176.094 -0.030 0.000 1.047 2067 V CA 1.680 63.953 62.300 -0.045 0.000 1.035 2067 V CB -0.685 31.105 31.823 -0.055 0.000 0.658 2067 V HN 0.476 nan 8.190 nan 0.000 0.452 2068 A N -0.707 122.096 122.820 -0.029 0.000 2.125 2068 A HA -0.074 4.242 4.320 -0.006 0.000 0.219 2068 A C 1.778 179.371 177.584 0.015 0.000 1.156 2068 A CA 1.232 53.264 52.037 -0.008 0.000 0.671 2068 A CB -0.352 18.643 19.000 -0.008 0.000 0.794 2068 A HN 0.448 nan 8.150 nan 0.000 0.459 2069 L N -1.038 120.191 121.223 0.010 0.000 2.653 2069 L HA 0.317 4.653 4.340 -0.006 0.000 0.231 2069 L C 1.487 178.366 176.870 0.015 0.000 1.153 2069 L CA 0.908 55.767 54.840 0.032 0.000 0.933 2069 L CB -0.277 41.791 42.059 0.015 0.000 1.175 2069 L HN 0.547 nan 8.230 nan 0.000 0.473 2070 G N -0.928 107.872 108.800 0.000 0.000 2.137 2070 G HA2 -0.152 3.805 3.960 -0.006 0.000 0.237 2070 G HA3 -0.152 3.805 3.960 -0.006 0.000 0.237 2070 G C 0.376 175.246 174.900 -0.050 0.000 1.002 2070 G CA 0.121 45.218 45.100 -0.005 0.000 0.702 2070 G HN 0.645 nan 8.290 nan 0.000 0.515 2071 A N -0.595 122.177 122.820 -0.079 0.000 2.306 2071 A HA 0.829 5.145 4.320 -0.006 0.000 0.330 2071 A C 0.067 177.612 177.584 -0.065 0.000 1.146 2071 A CA -0.386 51.565 52.037 -0.144 0.000 0.827 2071 A CB 0.879 19.769 19.000 -0.182 0.000 1.178 2071 A HN 0.375 nan 8.150 nan 0.000 0.490 2072 E N -0.057 120.101 120.200 -0.070 0.000 2.197 2072 E HA 0.525 4.871 4.350 -0.006 0.000 0.281 2072 E C -1.101 175.657 176.600 0.263 0.000 0.995 2072 E CA -0.134 56.334 56.400 0.113 0.000 0.808 2072 E CB 1.761 31.544 29.700 0.138 0.000 1.093 2072 E HN 0.322 nan 8.360 nan 0.000 0.394 2073 V N 3.585 123.673 119.914 0.290 0.000 2.709 2073 V HA 0.500 4.616 4.120 -0.006 0.000 0.308 2073 V C -0.552 175.647 176.094 0.176 0.000 1.062 2073 V CA -0.787 61.691 62.300 0.297 0.000 0.901 2073 V CB 2.096 34.044 31.823 0.208 0.000 1.003 2073 V HN 0.559 nan 8.190 nan 0.000 0.425 2074 R N 3.020 123.613 120.500 0.156 0.000 2.513 2074 R HA 0.466 4.802 4.340 -0.006 0.000 0.301 2074 R C -1.681 174.717 176.300 0.164 0.000 0.968 2074 R CA -0.446 55.650 56.100 -0.006 0.000 0.872 2074 R CB 1.635 31.728 30.300 -0.345 0.000 1.177 2074 R HN 0.748 nan 8.270 nan 0.000 0.444 2075 W N 2.047 123.310 121.300 -0.062 0.000 2.799 2075 W HA 0.516 5.173 4.660 -0.006 0.000 0.349 2075 W C -0.886 175.628 176.519 -0.008 0.000 1.100 2075 W CA -0.375 56.933 57.345 -0.061 0.000 1.174 2075 W CB 2.359 31.759 29.460 -0.101 0.000 1.427 2075 W HN 0.656 nan 8.180 nan 0.000 0.547 2076 S N 0.930 116.587 115.700 -0.072 0.000 2.537 2076 S HA 0.323 4.789 4.470 -0.006 0.000 0.271 2076 S C -0.730 173.824 174.600 -0.077 0.000 1.148 2076 S CA -0.746 57.417 58.200 -0.060 0.000 0.868 2076 S CB 1.718 64.776 63.200 -0.236 0.000 1.115 2076 S HN 0.389 nan 8.310 nan 0.000 0.461 2077 S N -0.138 115.570 115.700 0.014 0.000 2.608 2077 S HA 0.320 4.787 4.470 -0.006 0.000 0.261 2077 S C 1.095 175.722 174.600 0.046 0.000 1.314 2077 S CA -0.085 58.149 58.200 0.057 0.000 0.992 2077 S CB 0.152 63.397 63.200 0.076 0.000 0.935 2077 S HN 1.659 nan 8.310 nan 0.000 0.564 2078 C N 2.268 121.535 119.300 -0.056 0.000 3.125 2078 C HA 0.571 5.027 4.460 -0.006 0.000 0.284 2078 C C 0.024 174.973 174.990 -0.068 0.000 1.386 2078 C CA -0.847 58.145 59.018 -0.044 0.000 1.763 2078 C CB -1.839 25.737 27.740 -0.275 0.000 2.377 2078 C HN 0.739 nan 8.230 nan 0.000 0.620 2079 N N 1.013 119.694 118.700 -0.031 0.000 2.371 2079 N HA 0.286 5.022 4.740 -0.006 0.000 0.280 2079 N C 0.560 175.978 175.510 -0.154 0.000 1.084 2079 N CA -0.432 52.579 53.050 -0.065 0.000 0.892 2079 N CB 1.369 40.013 38.487 0.261 0.000 1.653 2079 N HN 0.357 nan 8.380 nan 0.000 0.480 2080 I N -0.044 120.285 120.570 -0.402 0.000 2.454 2080 I HA -0.078 4.088 4.170 -0.006 0.000 0.254 2080 I C 0.739 176.479 176.117 -0.629 0.000 1.156 2080 I CA 1.286 62.223 61.300 -0.606 0.000 1.433 2080 I CB -0.346 37.110 38.000 -0.906 0.000 1.082 2080 I HN 0.245 nan 8.210 nan 0.000 0.432 2081 F N 1.206 121.152 119.950 -0.007 0.000 2.637 2081 F HA 0.090 4.613 4.527 -0.007 0.000 0.284 2081 F C 2.789 178.635 175.800 0.076 0.000 1.105 2081 F CA 0.564 58.588 58.000 0.040 0.000 1.356 2081 F CB -0.698 38.319 39.000 0.029 0.000 1.096 2081 F HN 0.006 nan 8.300 nan 0.000 0.616 2082 S N -0.407 115.465 115.700 0.286 0.000 2.413 2082 S HA -0.241 4.225 4.470 -0.006 0.000 0.237 2082 S C 1.385 176.106 174.600 0.201 0.000 1.044 2082 S CA 1.385 59.728 58.200 0.238 0.000 1.024 2082 S CB -1.579 61.834 63.200 0.355 0.000 0.829 2082 S HN 0.384 nan 8.310 nan 0.000 0.475 2083 T N 1.450 116.110 114.554 0.177 0.000 2.888 2083 T HA 0.185 4.531 4.350 -0.006 0.000 0.301 2083 T C -0.392 174.388 174.700 0.134 0.000 1.001 2083 T CA -0.259 61.926 62.100 0.141 0.000 1.147 2083 T CB 0.348 69.275 68.868 0.097 0.000 0.931 2083 T HN 0.515 nan 8.240 nan 0.000 0.541 2084 Q N 3.547 123.409 119.800 0.103 0.000 2.278 2084 Q HA 0.236 4.572 4.340 -0.006 0.000 0.257 2084 Q C 0.691 176.745 176.000 0.090 0.000 0.928 2084 Q CA -0.702 55.170 55.803 0.114 0.000 0.932 2084 Q CB 1.326 30.114 28.738 0.084 0.000 1.221 2084 Q HN 0.701 nan 8.270 nan 0.000 0.434 2085 D N 1.109 121.601 120.400 0.154 0.000 2.123 2085 D HA -0.171 4.465 4.640 -0.006 0.000 0.200 2085 D C 1.615 177.953 176.300 0.064 0.000 0.976 2085 D CA 1.190 55.269 54.000 0.132 0.000 0.831 2085 D CB 0.170 41.084 40.800 0.189 0.000 0.974 2085 D HN 0.696 nan 8.370 nan 0.000 0.469 2086 H N 0.583 119.502 119.070 -0.252 0.000 2.456 2086 H HA 0.122 4.674 4.556 -0.007 0.000 0.296 2086 H C 1.673 176.812 175.328 -0.315 0.000 1.079 2086 H CA 1.292 57.114 56.048 -0.377 0.000 1.322 2086 H CB -0.517 28.574 29.762 -1.117 0.000 1.388 2086 H HN 0.047 nan 8.280 nan 0.000 0.538 2087 A N 1.293 123.685 122.820 -0.714 0.000 1.935 2087 A HA 0.307 4.624 4.320 -0.006 0.000 0.214 2087 A C 2.708 180.110 177.584 -0.303 0.000 1.178 2087 A CA 1.229 52.916 52.037 -0.583 0.000 0.640 2087 A CB -0.719 17.962 19.000 -0.531 0.000 0.825 2087 A HN 0.569 nan 8.150 nan 0.000 0.447 2088 A N 0.045 122.751 122.820 -0.190 0.000 1.897 2088 A HA 0.269 4.585 4.320 -0.006 0.000 0.215 2088 A C 2.475 179.959 177.584 -0.167 0.000 1.181 2088 A CA 1.725 53.683 52.037 -0.132 0.000 0.620 2088 A CB -0.975 18.010 19.000 -0.025 0.000 0.821 2088 A HN 0.942 nan 8.150 nan 0.000 0.443 2089 A N 0.126 122.864 122.820 -0.136 0.000 1.883 2089 A HA 0.100 4.416 4.320 -0.006 0.000 0.217 2089 A C 2.490 179.959 177.584 -0.191 0.000 1.186 2089 A CA 2.227 54.171 52.037 -0.155 0.000 0.624 2089 A CB -1.063 17.906 19.000 -0.052 0.000 0.822 2089 A HN 1.101 nan 8.150 nan 0.000 0.444 2090 A N -0.476 122.240 122.820 -0.173 0.000 1.972 2090 A HA -0.040 4.277 4.320 -0.006 0.000 0.219 2090 A C 2.007 179.484 177.584 -0.179 0.000 1.169 2090 A CA 1.564 53.506 52.037 -0.159 0.000 0.635 2090 A CB -0.418 18.479 19.000 -0.172 0.000 0.810 2090 A HN 0.423 nan 8.150 nan 0.000 0.446 2091 I N -0.279 120.163 120.570 -0.214 0.000 2.193 2091 I HA -0.168 3.998 4.170 -0.006 0.000 0.240 2091 I C 2.989 178.971 176.117 -0.225 0.000 1.084 2091 I CA 1.337 62.508 61.300 -0.216 0.000 1.365 2091 I CB -1.626 36.229 38.000 -0.242 0.000 1.064 2091 I HN 0.352 nan 8.210 nan 0.000 0.410 2092 A N 0.975 123.600 122.820 -0.324 0.000 1.892 2092 A HA -0.266 4.050 4.320 -0.006 0.000 0.218 2092 A C 2.401 179.769 177.584 -0.361 0.000 1.188 2092 A CA 2.116 53.843 52.037 -0.517 0.000 0.631 2092 A CB -0.703 17.629 19.000 -1.114 0.000 0.822 2092 A HN 0.393 nan 8.150 nan 0.000 0.447 2093 K N 0.154 120.378 120.400 -0.293 0.000 2.209 2093 K HA -0.035 4.281 4.320 -0.006 0.000 0.204 2093 K C 1.787 178.343 176.600 -0.075 0.000 1.048 2093 K CA 1.269 57.475 56.287 -0.134 0.000 0.940 2093 K CB -0.351 32.087 32.500 -0.103 0.000 0.729 2093 K HN 0.357 nan 8.250 nan 0.000 0.451 2094 A N 0.405 123.165 122.820 -0.100 0.000 2.209 2094 A HA 0.118 4.434 4.320 -0.006 0.000 0.212 2094 A C 1.353 178.911 177.584 -0.043 0.000 1.158 2094 A CA 1.126 53.120 52.037 -0.072 0.000 0.742 2094 A CB -0.441 18.501 19.000 -0.097 0.000 0.790 2094 A HN 0.580 nan 8.150 nan 0.000 0.472 2095 G N -1.685 107.099 108.800 -0.027 0.000 2.144 2095 G HA2 -0.178 3.779 3.960 -0.006 0.000 0.218 2095 G HA3 -0.178 3.779 3.960 -0.006 0.000 0.218 2095 G C -0.049 174.853 174.900 0.004 0.000 0.988 2095 G CA 0.116 45.225 45.100 0.015 0.000 0.659 2095 G HN 0.394 nan 8.290 nan 0.000 0.522 2096 I N 2.295 122.843 120.570 -0.037 0.000 2.392 2096 I HA 0.427 4.593 4.170 -0.006 0.000 0.295 2096 I C -1.924 174.154 176.117 -0.066 0.000 0.985 2096 I CA -2.726 58.542 61.300 -0.054 0.000 1.221 2096 I CB 1.993 39.936 38.000 -0.094 0.000 1.366 2096 I HN -0.130 nan 8.210 nan 0.000 0.467 2097 P HA 0.150 nan 4.420 nan 0.000 0.284 2097 P C -0.974 176.120 177.300 -0.342 0.000 1.343 2097 P CA -0.151 62.827 63.100 -0.204 0.000 0.826 2097 P CB 0.422 32.031 31.700 -0.152 0.000 0.956 2098 V N 1.679 121.331 119.914 -0.437 0.000 2.540 2098 V HA 0.599 4.715 4.120 -0.006 0.000 0.302 2098 V C -0.574 175.240 176.094 -0.466 0.000 1.035 2098 V CA -0.888 61.233 62.300 -0.298 0.000 0.873 2098 V CB 1.470 33.214 31.823 -0.132 0.000 0.992 2098 V HN 0.154 nan 8.190 nan 0.000 0.428 2099 F N 3.120 123.105 119.950 0.059 0.000 2.451 2099 F HA 0.881 5.404 4.527 -0.006 0.000 0.367 2099 F C 0.422 176.199 175.800 -0.039 0.000 1.100 2099 F CA -0.293 57.757 58.000 0.084 0.000 1.171 2099 F CB 1.474 40.365 39.000 -0.181 0.000 1.405 2099 F HN 0.919 nan 8.300 nan 0.000 0.482 2100 A N 2.764 125.685 122.820 0.168 0.000 2.547 2100 A HA 0.696 5.013 4.320 -0.006 0.000 0.298 2100 A C -1.984 175.682 177.584 0.137 0.000 1.062 2100 A CA -0.810 51.173 52.037 -0.089 0.000 0.748 2100 A CB 0.471 19.466 19.000 -0.007 0.000 1.288 2100 A HN 0.692 nan 8.150 nan 0.000 0.396 2101 W N 1.391 122.773 121.300 0.137 0.000 3.033 2101 W HA 0.751 5.407 4.660 -0.006 0.000 0.336 2101 W C -0.384 176.190 176.519 0.091 0.000 1.173 2101 W CA -1.051 56.361 57.345 0.111 0.000 1.185 2101 W CB 1.219 30.749 29.460 0.117 0.000 1.425 2101 W HN 0.734 nan 8.180 nan 0.000 0.536 2102 K N 1.932 122.491 120.400 0.266 0.000 2.416 2102 K HA 0.417 4.733 4.320 -0.006 0.000 0.283 2102 K C 0.742 177.480 176.600 0.229 0.000 1.037 2102 K CA 0.899 57.307 56.287 0.203 0.000 0.995 2102 K CB 0.066 32.713 32.500 0.246 0.000 0.938 2102 K HN 1.324 nan 8.250 nan 0.000 0.475 2103 G N 3.529 112.339 108.800 0.017 0.000 2.452 2103 G HA2 -0.211 3.745 3.960 -0.006 0.000 0.275 2103 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.275 2103 G C -0.636 174.230 174.900 -0.057 0.000 1.131 2103 G CA 0.036 45.099 45.100 -0.061 0.000 1.031 2103 G HN 0.709 nan 8.290 nan 0.000 0.511 2104 E N -0.019 119.988 120.200 -0.322 0.000 2.267 2104 E HA 0.685 5.032 4.350 -0.006 0.000 0.258 2104 E C 0.825 177.381 176.600 -0.074 0.000 1.074 2104 E CA -0.348 56.018 56.400 -0.058 0.000 0.915 2104 E CB 0.890 30.390 29.700 -0.334 0.000 1.186 2104 E HN 0.475 nan 8.360 nan 0.000 0.439 2105 T N -1.856 112.755 114.554 0.094 0.000 2.909 2105 T HA 0.131 4.478 4.350 -0.006 0.000 0.286 2105 T C 0.171 174.914 174.700 0.072 0.000 1.002 2105 T CA -0.753 61.391 62.100 0.073 0.000 1.074 2105 T CB 0.915 69.854 68.868 0.119 0.000 0.984 2105 T HN 0.258 nan 8.240 nan 0.000 0.495 2106 D N 1.220 121.649 120.400 0.047 0.000 2.315 2106 D HA -0.050 4.586 4.640 -0.006 0.000 0.211 2106 D C 1.537 177.927 176.300 0.150 0.000 0.977 2106 D CA 1.129 55.174 54.000 0.076 0.000 0.894 2106 D CB 0.020 40.849 40.800 0.048 0.000 0.910 2106 D HN 0.758 nan 8.370 nan 0.000 0.490 2107 E N 0.323 120.604 120.200 0.135 0.000 2.075 2107 E HA -0.024 4.322 4.350 -0.006 0.000 0.190 2107 E C 1.777 178.500 176.600 0.204 0.000 0.969 2107 E CA 0.583 57.068 56.400 0.143 0.000 0.815 2107 E CB -0.058 29.703 29.700 0.102 0.000 0.776 2107 E HN 0.347 nan 8.360 nan 0.000 0.457 2108 E N -0.054 120.293 120.200 0.244 0.000 2.204 2108 E HA -0.193 4.153 4.350 -0.006 0.000 0.194 2108 E C 1.584 178.390 176.600 0.342 0.000 0.989 2108 E CA 0.719 57.352 56.400 0.388 0.000 0.824 2108 E CB -0.169 29.872 29.700 0.568 0.000 0.756 2108 E HN 0.267 nan 8.360 nan 0.000 0.477 2109 Y N 1.589 121.918 120.300 0.047 0.000 2.114 2109 Y HA -0.214 4.333 4.550 -0.007 0.000 0.284 2109 Y C 1.967 177.841 175.900 -0.043 0.000 1.143 2109 Y CA 1.178 59.231 58.100 -0.079 0.000 1.135 2109 Y CB -0.198 38.193 38.460 -0.116 0.000 0.980 2109 Y HN -0.025 nan 8.280 nan 0.000 0.499 2110 L N -0.583 120.617 121.223 -0.039 0.000 2.131 2110 L HA -0.216 4.120 4.340 -0.006 0.000 0.210 2110 L C 2.169 178.966 176.870 -0.122 0.000 1.092 2110 L CA 1.691 56.443 54.840 -0.147 0.000 0.759 2110 L CB -1.876 40.199 42.059 0.025 0.000 0.903 2110 L HN 0.653 nan 8.230 nan 0.000 0.435 2111 W N -0.400 120.818 121.300 -0.138 0.000 2.407 2111 W HA -0.182 4.474 4.660 -0.006 0.000 0.305 2111 W C 2.708 179.087 176.519 -0.233 0.000 1.196 2111 W CA 1.281 58.551 57.345 -0.124 0.000 1.311 2111 W CB -0.576 28.874 29.460 -0.017 0.000 1.135 2111 W HN 0.082 nan 8.180 nan 0.000 0.514 2112 C N 0.880 119.936 119.300 -0.407 0.000 2.398 2112 C HA -0.256 4.200 4.460 -0.006 0.000 0.276 2112 C C 2.735 177.252 174.990 -0.789 0.000 1.222 2112 C CA 1.601 60.193 59.018 -0.711 0.000 1.746 2112 C CB -1.495 26.063 27.740 -0.305 0.000 2.039 2112 C HN 0.407 nan 8.230 nan 0.000 0.470 2113 I N 0.412 120.596 120.570 -0.642 0.000 2.142 2113 I HA -0.222 3.944 4.170 -0.006 0.000 0.240 2113 I C 2.528 178.312 176.117 -0.555 0.000 1.078 2113 I CA 1.690 62.643 61.300 -0.578 0.000 1.343 2113 I CB -0.696 36.955 38.000 -0.582 0.000 1.046 2113 I HN 0.373 nan 8.210 nan 0.000 0.405 2114 E N 0.405 120.295 120.200 -0.518 0.000 2.187 2114 E HA -0.270 4.076 4.350 -0.006 0.000 0.199 2114 E C 2.212 178.519 176.600 -0.490 0.000 1.004 2114 E CA 1.124 57.286 56.400 -0.397 0.000 0.813 2114 E CB 0.037 29.595 29.700 -0.237 0.000 0.736 2114 E HN 0.431 nan 8.360 nan 0.000 0.468 2115 Q N -0.721 118.552 119.800 -0.878 0.000 2.170 2115 Q HA -0.104 4.232 4.340 -0.006 0.000 0.203 2115 Q C 2.141 177.763 176.000 -0.629 0.000 0.976 2115 Q CA 1.712 56.883 55.803 -1.055 0.000 0.858 2115 Q CB -0.532 26.692 28.738 -2.524 0.000 0.907 2115 Q HN 0.417 nan 8.270 nan 0.000 0.433 2116 T N -2.098 112.159 114.554 -0.496 0.000 3.194 2116 T HA 0.179 4.525 4.350 -0.006 0.000 0.251 2116 T C 1.681 176.243 174.700 -0.231 0.000 1.132 2116 T CA 0.063 61.997 62.100 -0.277 0.000 1.028 2116 T CB -0.231 68.505 68.868 -0.219 0.000 0.976 2116 T HN 0.099 nan 8.240 nan 0.000 0.535 2117 L N -0.349 120.713 121.223 -0.269 0.000 2.307 2117 L HA 0.259 4.595 4.340 -0.006 0.000 0.211 2117 L C 0.880 177.534 176.870 -0.360 0.000 1.099 2117 L CA 0.454 55.109 54.840 -0.309 0.000 0.816 2117 L CB -0.190 41.617 42.059 -0.420 0.000 0.952 2117 L HN 0.363 nan 8.230 nan 0.000 0.455 2118 H N -0.796 118.304 119.070 0.050 0.000 2.547 2118 H HA 0.399 4.952 4.556 -0.006 0.000 0.342 2118 H C -0.899 174.496 175.328 0.111 0.000 1.048 2118 H CA -0.700 55.439 56.048 0.151 0.000 1.204 2118 H CB 1.641 31.438 29.762 0.058 0.000 1.493 2118 H HN -0.197 nan 8.280 nan 0.000 0.511 2119 F N 1.231 121.237 119.950 0.094 0.000 2.461 2119 F HA 0.163 4.686 4.527 -0.007 0.000 0.337 2119 F C 1.752 177.589 175.800 0.062 0.000 1.079 2119 F CA -1.120 56.916 58.000 0.059 0.000 1.032 2119 F CB 0.731 39.743 39.000 0.020 0.000 1.327 2119 F HN 0.357 nan 8.300 nan 0.000 0.491 2120 K N -0.647 119.897 120.400 0.240 0.000 2.147 2120 K HA -0.087 4.229 4.320 -0.006 0.000 0.205 2120 K C 0.523 177.201 176.600 0.130 0.000 1.049 2120 K CA 1.800 58.171 56.287 0.141 0.000 0.936 2120 K CB -0.312 32.252 32.500 0.107 0.000 0.722 2120 K HN 0.333 nan 8.250 nan 0.000 0.446 2121 D N 0.412 120.904 120.400 0.153 0.000 2.342 2121 D HA 0.222 4.858 4.640 -0.006 0.000 0.221 2121 D C 0.417 176.770 176.300 0.089 0.000 1.101 2121 D CA 0.774 54.831 54.000 0.094 0.000 0.837 2121 D CB 0.644 41.482 40.800 0.062 0.000 0.938 2121 D HN 0.390 nan 8.370 nan 0.000 0.508 2122 G N 1.350 110.238 108.800 0.146 0.000 2.316 2122 G HA2 -0.091 3.865 3.960 -0.006 0.000 0.349 2122 G HA3 -0.091 3.865 3.960 -0.006 0.000 0.349 2122 G C -2.995 172.042 174.900 0.228 0.000 1.274 2122 G CA -1.007 44.183 45.100 0.149 0.000 1.018 2122 G HN -0.147 nan 8.290 nan 0.000 0.486 2123 P HA 0.499 nan 4.420 nan 0.000 0.276 2123 P C 0.461 177.721 177.300 -0.066 0.000 1.261 2123 P CA -0.554 62.627 63.100 0.134 0.000 0.800 2123 P CB 0.714 32.469 31.700 0.092 0.000 1.066 2124 L N -0.063 121.105 121.223 -0.091 0.000 2.485 2124 L HA 0.223 4.559 4.340 -0.006 0.000 0.275 2124 L C 0.787 177.529 176.870 -0.215 0.000 1.207 2124 L CA 0.262 54.951 54.840 -0.251 0.000 0.855 2124 L CB -0.507 41.520 42.059 -0.052 0.000 1.114 2124 L HN 0.324 nan 8.230 nan 0.000 0.485 2125 N N 2.030 120.575 118.700 -0.258 0.000 2.171 2125 N HA 0.287 5.023 4.740 -0.006 0.000 0.212 2125 N C -0.465 175.004 175.510 -0.067 0.000 1.184 2125 N CA -0.284 52.700 53.050 -0.109 0.000 0.888 2125 N CB 0.496 38.965 38.487 -0.029 0.000 1.038 2125 N HN 0.719 nan 8.380 nan 0.000 0.517 2126 M N 0.432 119.948 119.600 -0.141 0.000 2.465 2126 M HA 0.538 5.015 4.480 -0.006 0.000 0.284 2126 M C -2.102 174.127 176.300 -0.118 0.000 1.212 2126 M CA -0.434 54.805 55.300 -0.102 0.000 0.910 2126 M CB 2.581 35.093 32.600 -0.147 0.000 1.725 2126 M HN 0.015 nan 8.290 nan 0.000 0.477 2127 I N 3.325 123.836 120.570 -0.098 0.000 2.509 2127 I HA 0.560 4.727 4.170 -0.006 0.000 0.293 2127 I C -1.367 174.673 176.117 -0.128 0.000 1.020 2127 I CA -0.603 60.620 61.300 -0.129 0.000 1.088 2127 I CB 2.025 39.957 38.000 -0.114 0.000 1.267 2127 I HN 0.638 nan 8.210 nan 0.000 0.430 2128 L N 5.816 126.925 121.223 -0.190 0.000 2.454 2128 L HA 0.513 4.849 4.340 -0.006 0.000 0.258 2128 L C -1.559 175.167 176.870 -0.240 0.000 1.025 2128 L CA -0.239 54.500 54.840 -0.168 0.000 0.901 2128 L CB 0.618 42.594 42.059 -0.139 0.000 1.210 2128 L HN 0.505 nan 8.230 nan 0.000 0.457 2129 D N 2.432 122.738 120.400 -0.156 0.000 2.252 2129 D HA 0.332 4.968 4.640 -0.006 0.000 0.245 2129 D C -1.345 174.907 176.300 -0.080 0.000 1.009 2129 D CA -0.019 53.889 54.000 -0.153 0.000 0.870 2129 D CB 2.331 43.054 40.800 -0.128 0.000 1.251 2129 D HN 0.405 nan 8.370 nan 0.000 0.460 2130 D N 1.551 121.903 120.400 -0.079 0.000 2.346 2130 D HA 0.449 5.085 4.640 -0.006 0.000 0.255 2130 D C 0.609 176.894 176.300 -0.025 0.000 1.276 2130 D CA -0.317 53.675 54.000 -0.012 0.000 0.941 2130 D CB 0.265 41.081 40.800 0.026 0.000 1.199 2130 D HN 0.599 nan 8.370 nan 0.000 0.537 2131 G N 1.932 110.731 108.800 -0.001 0.000 2.617 2131 G HA2 -0.036 3.920 3.960 -0.006 0.000 0.197 2131 G HA3 -0.036 3.920 3.960 -0.006 0.000 0.197 2131 G C 1.036 175.938 174.900 0.004 0.000 1.017 2131 G CA 0.476 45.585 45.100 0.015 0.000 0.713 2131 G HN 1.453 nan 8.290 nan 0.000 0.481 2132 G N 0.260 109.045 108.800 -0.025 0.000 2.254 2132 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.225 2132 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.225 2132 G C 0.840 175.720 174.900 -0.033 0.000 1.003 2132 G CA 0.980 46.061 45.100 -0.031 0.000 0.622 2132 G HN 0.678 nan 8.290 nan 0.000 0.507 2133 D N 0.618 121.004 120.400 -0.023 0.000 2.126 2133 D HA -0.127 4.510 4.640 -0.006 0.000 0.190 2133 D C 2.518 178.761 176.300 -0.095 0.000 1.001 2133 D CA 1.267 55.250 54.000 -0.028 0.000 0.841 2133 D CB -0.373 40.442 40.800 0.024 0.000 0.949 2133 D HN 0.403 nan 8.370 nan 0.000 0.446 2134 L N 0.720 121.856 121.223 -0.146 0.000 1.944 2134 L HA -0.253 4.083 4.340 -0.006 0.000 0.218 2134 L C 2.678 179.466 176.870 -0.136 0.000 1.075 2134 L CA 2.570 57.292 54.840 -0.197 0.000 0.767 2134 L CB -1.026 40.892 42.059 -0.235 0.000 0.890 2134 L HN 0.246 nan 8.230 nan 0.000 0.434 2135 T N -2.573 111.933 114.554 -0.079 0.000 2.778 2135 T HA -0.252 4.094 4.350 -0.006 0.000 0.269 2135 T C 1.430 176.208 174.700 0.130 0.000 1.050 2135 T CA 2.184 64.300 62.100 0.026 0.000 1.137 2135 T CB -0.639 68.244 68.868 0.025 0.000 0.860 2135 T HN 0.493 nan 8.240 nan 0.000 0.468 2136 N N 0.470 119.187 118.700 0.029 0.000 2.092 2136 N HA 0.137 4.873 4.740 -0.006 0.000 0.189 2136 N C 1.919 177.446 175.510 0.028 0.000 1.040 2136 N CA 1.094 54.169 53.050 0.041 0.000 0.845 2136 N CB -0.317 38.173 38.487 0.005 0.000 1.017 2136 N HN 0.289 nan 8.380 nan 0.000 0.426 2137 L N 0.759 121.948 121.223 -0.055 0.000 2.051 2137 L HA -0.226 4.110 4.340 -0.006 0.000 0.214 2137 L C 1.649 178.418 176.870 -0.168 0.000 1.076 2137 L CA 1.358 56.125 54.840 -0.121 0.000 0.758 2137 L CB -0.207 41.714 42.059 -0.230 0.000 0.890 2137 L HN 0.172 nan 8.230 nan 0.000 0.433 2138 I N -0.702 119.748 120.570 -0.199 0.000 2.202 2138 I HA -0.277 3.889 4.170 -0.006 0.000 0.242 2138 I C 2.297 178.354 176.117 -0.100 0.000 1.091 2138 I CA 1.614 62.784 61.300 -0.218 0.000 1.368 2138 I CB -0.727 37.123 38.000 -0.251 0.000 1.058 2138 I HN 0.265 nan 8.210 nan 0.000 0.410 2139 H N -0.641 118.407 119.070 -0.036 0.000 2.353 2139 H HA -0.145 4.407 4.556 -0.007 0.000 0.300 2139 H C 2.395 177.734 175.328 0.019 0.000 1.090 2139 H CA 2.282 58.327 56.048 -0.006 0.000 1.327 2139 H CB -0.287 29.465 29.762 -0.018 0.000 1.383 2139 H HN 0.429 nan 8.280 nan 0.000 0.508 2140 T N -1.178 113.458 114.554 0.137 0.000 2.896 2140 T HA -0.031 4.316 4.350 -0.006 0.000 0.263 2140 T C 1.511 176.274 174.700 0.106 0.000 1.050 2140 T CA 0.918 63.078 62.100 0.100 0.000 1.140 2140 T CB 0.229 69.141 68.868 0.074 0.000 0.877 2140 T HN 0.311 nan 8.240 nan 0.000 0.457 2141 K N -0.537 119.966 120.400 0.171 0.000 2.399 2141 K HA 0.158 4.475 4.320 -0.006 0.000 0.196 2141 K C 0.397 177.190 176.600 0.321 0.000 1.117 2141 K CA 0.222 56.668 56.287 0.266 0.000 0.965 2141 K CB 0.370 33.090 32.500 0.367 0.000 0.983 2141 K HN 0.404 nan 8.250 nan 0.000 0.531 2142 H N 0.308 119.355 119.070 -0.038 0.000 2.481 2142 H HA 0.237 4.789 4.556 -0.006 0.000 0.273 2142 H C -2.158 173.129 175.328 -0.068 0.000 1.145 2142 H CA -2.562 53.459 56.048 -0.045 0.000 0.964 2142 H CB 0.035 29.761 29.762 -0.059 0.000 1.722 2142 H HN 0.000 nan 8.280 nan 0.000 0.573 2143 P HA -0.218 nan 4.420 nan 0.000 0.219 2143 P C 1.058 178.348 177.300 -0.015 0.000 1.145 2143 P CA 1.482 64.573 63.100 -0.015 0.000 0.813 2143 P CB 0.369 32.074 31.700 0.010 0.000 0.771 2144 Q N -0.726 119.077 119.800 0.005 0.000 2.079 2144 Q HA -0.101 4.236 4.340 -0.006 0.000 0.200 2144 Q C 2.099 178.104 176.000 0.008 0.000 0.974 2144 Q CA 1.226 57.033 55.803 0.006 0.000 0.840 2144 Q CB -1.153 27.592 28.738 0.010 0.000 0.898 2144 Q HN 0.279 nan 8.270 nan 0.000 0.430 2145 L N -0.169 121.064 121.223 0.017 0.000 2.141 2145 L HA -0.128 4.208 4.340 -0.006 0.000 0.209 2145 L C 1.950 178.790 176.870 -0.049 0.000 1.094 2145 L CA 0.190 55.029 54.840 -0.002 0.000 0.763 2145 L CB -0.620 41.434 42.059 -0.007 0.000 0.908 2145 L HN 0.231 nan 8.230 nan 0.000 0.437 2146 L N 0.552 121.722 121.223 -0.088 0.000 2.058 2146 L HA -0.332 4.004 4.340 -0.006 0.000 0.226 2146 L C 2.666 179.495 176.870 -0.070 0.000 1.089 2146 L CA 2.377 57.136 54.840 -0.136 0.000 0.799 2146 L CB -1.382 40.576 42.059 -0.167 0.000 0.900 2146 L HN 0.364 nan 8.230 nan 0.000 0.442 2147 S N -1.173 114.506 115.700 -0.036 0.000 2.537 2147 S HA -0.039 4.427 4.470 -0.006 0.000 0.240 2147 S C 1.789 176.384 174.600 -0.008 0.000 0.981 2147 S CA 0.694 58.886 58.200 -0.014 0.000 0.948 2147 S CB -0.472 62.725 63.200 -0.005 0.000 0.759 2147 S HN 0.620 nan 8.310 nan 0.000 0.531 2148 G N 1.124 109.915 108.800 -0.016 0.000 2.656 2148 G HA2 0.247 4.203 3.960 -0.006 0.000 0.211 2148 G HA3 0.247 4.203 3.960 -0.006 0.000 0.211 2148 G C 0.364 175.262 174.900 -0.004 0.000 1.137 2148 G CA -0.396 44.700 45.100 -0.007 0.000 0.802 2148 G HN 0.464 nan 8.290 nan 0.000 0.527 2149 I N 1.077 121.632 120.570 -0.024 0.000 2.517 2149 I HA 0.209 4.376 4.170 -0.006 0.000 0.285 2149 I C 1.613 177.744 176.117 0.025 0.000 1.106 2149 I CA -0.179 61.111 61.300 -0.016 0.000 1.402 2149 I CB 1.460 39.428 38.000 -0.052 0.000 1.399 2149 I HN -0.016 nan 8.210 nan 0.000 0.535 2150 R N 4.061 124.606 120.500 0.075 0.000 2.148 2150 R HA 0.144 4.481 4.340 -0.006 0.000 0.223 2150 R C 0.668 177.013 176.300 0.076 0.000 1.088 2150 R CA 0.704 56.861 56.100 0.095 0.000 0.985 2150 R CB 0.244 30.652 30.300 0.181 0.000 0.880 2150 R HN 0.932 nan 8.270 nan 0.000 0.451 2151 G N -0.868 107.966 108.800 0.057 0.000 2.523 2151 G HA2 0.401 4.357 3.960 -0.006 0.000 0.291 2151 G HA3 0.401 4.357 3.960 -0.006 0.000 0.291 2151 G C -1.407 173.489 174.900 -0.007 0.000 1.450 2151 G CA -0.826 44.289 45.100 0.024 0.000 0.790 2151 G HN 0.005 nan 8.290 nan 0.000 0.496 2152 I N -0.258 120.297 120.570 -0.026 0.000 2.957 2152 I HA 0.702 4.869 4.170 -0.006 0.000 0.310 2152 I C -0.260 175.820 176.117 -0.062 0.000 1.063 2152 I CA -1.064 60.209 61.300 -0.045 0.000 1.033 2152 I CB 2.395 40.373 38.000 -0.037 0.000 1.230 2152 I HN 0.388 nan 8.210 nan 0.000 0.447 2153 S N 2.105 117.767 115.700 -0.064 0.000 2.776 2153 S HA 0.376 4.842 4.470 -0.006 0.000 0.284 2153 S C -1.089 173.483 174.600 -0.047 0.000 1.160 2153 S CA -0.375 57.794 58.200 -0.052 0.000 1.051 2153 S CB 1.285 64.465 63.200 -0.033 0.000 1.037 2153 S HN 0.533 nan 8.310 nan 0.000 0.485 2154 E N 2.150 122.322 120.200 -0.046 0.000 2.210 2154 E HA 0.396 4.742 4.350 -0.006 0.000 0.266 2154 E C -0.013 176.588 176.600 0.002 0.000 0.883 2154 E CA -0.583 55.795 56.400 -0.036 0.000 0.761 2154 E CB 0.997 30.654 29.700 -0.073 0.000 1.156 2154 E HN 0.708 nan 8.360 nan 0.000 0.412 2155 E N 1.545 121.766 120.200 0.035 0.000 2.660 2155 E HA 0.164 4.510 4.350 -0.006 0.000 0.216 2155 E C -0.244 176.398 176.600 0.071 0.000 0.986 2155 E CA -0.356 56.087 56.400 0.072 0.000 1.037 2155 E CB 0.533 30.309 29.700 0.126 0.000 1.041 2155 E HN 0.358 nan 8.360 nan 0.000 0.480 2156 T N -2.555 112.023 114.554 0.040 0.000 2.907 2156 T HA 0.292 4.638 4.350 -0.006 0.000 0.292 2156 T C 1.000 175.682 174.700 -0.031 0.000 1.043 2156 T CA -0.179 61.939 62.100 0.030 0.000 1.003 2156 T CB 1.820 70.720 68.868 0.054 0.000 1.084 2156 T HN -0.076 nan 8.240 nan 0.000 0.483 2157 T N 1.763 116.271 114.554 -0.077 0.000 2.622 2157 T HA -0.119 4.227 4.350 -0.006 0.000 0.266 2157 T C 2.046 176.543 174.700 -0.338 0.000 1.047 2157 T CA 2.108 64.049 62.100 -0.265 0.000 1.159 2157 T CB -1.122 67.570 68.868 -0.292 0.000 0.863 2157 T HN 0.810 nan 8.240 nan 0.000 0.422 2158 T N 1.592 116.060 114.554 -0.144 0.000 2.570 2158 T HA -0.146 4.200 4.350 -0.006 0.000 0.266 2158 T C 2.298 177.007 174.700 0.014 0.000 1.071 2158 T CA 1.668 63.762 62.100 -0.010 0.000 1.172 2158 T CB -1.249 67.659 68.868 0.067 0.000 0.864 2158 T HN 0.557 nan 8.240 nan 0.000 0.421 2159 G N 0.860 109.660 108.800 0.000 0.000 2.513 2159 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.219 2159 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.219 2159 G C 1.700 176.583 174.900 -0.028 0.000 1.160 2159 G CA 1.272 46.367 45.100 -0.009 0.000 0.767 2159 G HN 0.480 nan 8.290 nan 0.000 0.571 2160 V N -0.079 119.811 119.914 -0.041 0.000 2.548 2160 V HA -0.117 4.000 4.120 -0.006 0.000 0.249 2160 V C 2.309 178.468 176.094 0.107 0.000 1.055 2160 V CA 1.847 64.111 62.300 -0.060 0.000 1.065 2160 V CB -0.771 31.033 31.823 -0.032 0.000 0.681 2160 V HN 0.527 nan 8.190 nan 0.000 0.462 2161 H N 0.480 119.609 119.070 0.098 0.000 2.270 2161 H HA -0.217 4.335 4.556 -0.006 0.000 0.299 2161 H C 2.469 177.851 175.328 0.089 0.000 1.077 2161 H CA 1.782 57.915 56.048 0.141 0.000 1.294 2161 H CB 0.009 29.822 29.762 0.084 0.000 1.371 2161 H HN 0.515 nan 8.280 nan 0.000 0.491 2162 N N 1.149 119.952 118.700 0.172 0.000 2.149 2162 N HA -0.163 4.573 4.740 -0.006 0.000 0.188 2162 N C 1.917 177.425 175.510 -0.002 0.000 1.019 2162 N CA 0.982 54.071 53.050 0.064 0.000 0.857 2162 N CB -0.485 38.022 38.487 0.033 0.000 0.997 2162 N HN 0.309 nan 8.380 nan 0.000 0.426 2163 L N -0.980 120.212 121.223 -0.051 0.000 2.012 2163 L HA -0.216 4.120 4.340 -0.006 0.000 0.210 2163 L C 1.794 178.569 176.870 -0.159 0.000 1.073 2163 L CA 1.394 56.134 54.840 -0.165 0.000 0.748 2163 L CB -0.461 41.434 42.059 -0.273 0.000 0.891 2163 L HN 0.259 nan 8.230 nan 0.000 0.431 2164 Y N 0.027 120.300 120.300 -0.045 0.000 2.242 2164 Y HA -0.268 4.278 4.550 -0.007 0.000 0.291 2164 Y C 2.596 178.464 175.900 -0.054 0.000 1.137 2164 Y CA 1.376 59.443 58.100 -0.056 0.000 1.181 2164 Y CB -0.386 38.055 38.460 -0.032 0.000 0.989 2164 Y HN 0.155 nan 8.280 nan 0.000 0.527 2165 K N 0.695 121.159 120.400 0.107 0.000 2.001 2165 K HA -0.191 4.125 4.320 -0.006 0.000 0.208 2165 K C 1.913 178.512 176.600 -0.002 0.000 1.048 2165 K CA 1.831 58.142 56.287 0.039 0.000 0.932 2165 K CB -0.585 31.930 32.500 0.024 0.000 0.715 2165 K HN 0.309 nan 8.250 nan 0.000 0.437 2166 M N 0.454 120.029 119.600 -0.041 0.000 2.073 2166 M HA -0.228 4.248 4.480 -0.006 0.000 0.258 2166 M C 2.517 178.778 176.300 -0.066 0.000 1.070 2166 M CA 2.119 57.368 55.300 -0.085 0.000 1.103 2166 M CB -0.443 32.047 32.600 -0.183 0.000 1.321 2166 M HN 0.181 nan 8.290 nan 0.000 0.405 2167 M N 0.899 120.463 119.600 -0.061 0.000 2.082 2167 M HA -0.165 4.312 4.480 -0.006 0.000 0.258 2167 M C 2.182 178.478 176.300 -0.007 0.000 1.069 2167 M CA 2.282 57.560 55.300 -0.036 0.000 1.102 2167 M CB -0.703 31.877 32.600 -0.032 0.000 1.336 2167 M HN 0.254 nan 8.290 nan 0.000 0.404 2168 A N -0.118 122.708 122.820 0.010 0.000 2.024 2168 A HA -0.142 4.174 4.320 -0.006 0.000 0.220 2168 A C 1.501 179.085 177.584 0.000 0.000 1.164 2168 A CA 1.896 53.939 52.037 0.010 0.000 0.643 2168 A CB -0.918 18.089 19.000 0.012 0.000 0.806 2168 A HN 0.716 nan 8.150 nan 0.000 0.451 2169 N N -0.703 117.994 118.700 -0.006 0.000 2.276 2169 N HA 0.220 4.956 4.740 -0.006 0.000 0.212 2169 N C 1.105 176.612 175.510 -0.005 0.000 1.127 2169 N CA 0.787 53.834 53.050 -0.006 0.000 0.834 2169 N CB 0.190 38.671 38.487 -0.010 0.000 1.014 2169 N HN 0.551 nan 8.380 nan 0.000 0.491 2170 G N 1.178 109.976 108.800 -0.004 0.000 2.186 2170 G HA2 -0.341 3.615 3.960 -0.006 0.000 0.266 2170 G HA3 -0.341 3.615 3.960 -0.006 0.000 0.266 2170 G C 1.017 175.920 174.900 0.005 0.000 0.982 2170 G CA 0.794 45.896 45.100 0.003 0.000 0.670 2170 G HN 0.455 nan 8.290 nan 0.000 0.533 2171 I N -0.225 120.337 120.570 -0.014 0.000 2.252 2171 I HA 0.051 4.217 4.170 -0.006 0.000 0.245 2171 I C 1.765 177.864 176.117 -0.030 0.000 1.102 2171 I CA 0.323 61.612 61.300 -0.018 0.000 1.385 2171 I CB -0.213 37.748 38.000 -0.064 0.000 1.064 2171 I HN 0.176 nan 8.210 nan 0.000 0.414 2172 L N 3.525 124.691 121.223 -0.094 0.000 2.584 2172 L HA -0.062 4.274 4.340 -0.006 0.000 0.272 2172 L C 0.939 177.858 176.870 0.082 0.000 1.195 2172 L CA 0.943 55.733 54.840 -0.084 0.000 0.920 2172 L CB 0.412 42.415 42.059 -0.094 0.000 1.173 2172 L HN 0.353 nan 8.230 nan 0.000 0.489 2173 K N 4.165 124.720 120.400 0.259 0.000 2.399 2173 K HA 0.128 4.444 4.320 -0.006 0.000 0.196 2173 K C 0.155 176.829 176.600 0.123 0.000 1.103 2173 K CA 0.160 56.547 56.287 0.167 0.000 0.986 2173 K CB 0.817 33.402 32.500 0.140 0.000 0.952 2173 K HN 0.447 nan 8.250 nan 0.000 0.541 2174 V N 4.394 124.404 119.914 0.159 0.000 2.459 2174 V HA 0.373 4.490 4.120 -0.006 0.000 0.295 2174 V C -2.759 173.386 176.094 0.085 0.000 1.029 2174 V CA -2.687 59.669 62.300 0.092 0.000 0.874 2174 V CB 1.893 33.749 31.823 0.056 0.000 0.985 2174 V HN -0.048 nan 8.190 nan 0.000 0.438 2175 P HA 0.313 nan 4.420 nan 0.000 0.267 2175 P C -0.652 176.682 177.300 0.056 0.000 1.200 2175 P CA 0.182 63.351 63.100 0.116 0.000 0.772 2175 P CB 1.085 32.894 31.700 0.182 0.000 0.855 2176 A N 3.074 125.920 122.820 0.043 0.000 2.435 2176 A HA 0.798 5.114 4.320 -0.006 0.000 0.296 2176 A C -0.774 176.783 177.584 -0.045 0.000 1.147 2176 A CA -0.875 51.136 52.037 -0.044 0.000 0.775 2176 A CB 1.308 20.238 19.000 -0.117 0.000 1.340 2176 A HN 0.492 nan 8.150 nan 0.000 0.427 2177 I N 1.840 122.346 120.570 -0.106 0.000 2.468 2177 I HA 0.171 4.337 4.170 -0.006 0.000 0.284 2177 I C -0.761 175.300 176.117 -0.093 0.000 1.038 2177 I CA -0.641 60.593 61.300 -0.110 0.000 1.083 2177 I CB 1.792 39.694 38.000 -0.162 0.000 1.223 2177 I HN 0.725 nan 8.210 nan 0.000 0.443 2178 N N 6.311 124.941 118.700 -0.117 0.000 2.402 2178 N HA 0.059 4.795 4.740 -0.006 0.000 0.259 2178 N C 0.210 175.758 175.510 0.064 0.000 1.167 2178 N CA 0.266 53.265 53.050 -0.085 0.000 0.949 2178 N CB 1.280 39.640 38.487 -0.211 0.000 1.212 2178 N HN 0.406 nan 8.380 nan 0.000 0.493 2179 V N 3.548 123.496 119.914 0.056 0.000 3.608 2179 V HA 0.012 4.128 4.120 -0.006 0.000 0.269 2179 V C 1.812 177.970 176.094 0.105 0.000 1.245 2179 V CA 0.354 62.708 62.300 0.090 0.000 1.138 2179 V CB -0.653 31.209 31.823 0.066 0.000 0.841 2179 V HN 0.669 nan 8.190 nan 0.000 0.451 2180 N N 0.837 119.596 118.700 0.099 0.000 2.244 2180 N HA -0.131 4.606 4.740 -0.006 0.000 0.183 2180 N C 1.330 176.914 175.510 0.123 0.000 1.016 2180 N CA 1.523 54.631 53.050 0.096 0.000 0.866 2180 N CB -0.040 38.489 38.487 0.069 0.000 0.980 2180 N HN 0.420 nan 8.380 nan 0.000 0.430 2181 D N -0.292 120.228 120.400 0.199 0.000 2.325 2181 D HA 0.085 4.721 4.640 -0.006 0.000 0.225 2181 D C -0.254 176.134 176.300 0.146 0.000 1.096 2181 D CA 0.090 54.222 54.000 0.220 0.000 0.844 2181 D CB 0.217 41.283 40.800 0.444 0.000 0.925 2181 D HN 0.138 nan 8.370 nan 0.000 0.513 2182 S N 0.115 115.890 115.700 0.126 0.000 2.579 2182 S HA 0.010 4.476 4.470 -0.006 0.000 0.275 2182 S C 1.798 176.415 174.600 0.029 0.000 1.345 2182 S CA -0.466 57.778 58.200 0.073 0.000 1.031 2182 S CB 2.207 65.448 63.200 0.067 0.000 0.892 2182 S HN 0.165 nan 8.310 nan 0.000 0.529 2183 V N 1.688 121.587 119.914 -0.026 0.000 2.591 2183 V HA -0.102 4.015 4.120 -0.006 0.000 0.249 2183 V C 2.008 178.090 176.094 -0.020 0.000 1.053 2183 V CA 2.091 64.351 62.300 -0.066 0.000 1.068 2183 V CB -1.483 30.201 31.823 -0.231 0.000 0.689 2183 V HN 1.028 nan 8.190 nan 0.000 0.462 2184 T N -2.611 111.944 114.554 0.001 0.000 2.951 2184 T HA -0.084 4.262 4.350 -0.006 0.000 0.268 2184 T C 1.943 176.730 174.700 0.145 0.000 1.073 2184 T CA 1.403 63.561 62.100 0.098 0.000 1.134 2184 T CB -0.314 68.551 68.868 -0.005 0.000 0.884 2184 T HN 0.455 nan 8.240 nan 0.000 0.479 2185 K N 1.919 122.360 120.400 0.070 0.000 2.005 2185 K HA -0.020 4.296 4.320 -0.006 0.000 0.206 2185 K C 2.793 179.441 176.600 0.080 0.000 1.044 2185 K CA 1.734 58.060 56.287 0.066 0.000 0.942 2185 K CB -0.778 31.758 32.500 0.060 0.000 0.727 2185 K HN 0.520 nan 8.250 nan 0.000 0.439 2186 S N 1.540 117.270 115.700 0.049 0.000 2.353 2186 S HA -0.124 4.342 4.470 -0.006 0.000 0.222 2186 S C 1.954 176.526 174.600 -0.046 0.000 1.035 2186 S CA 1.003 59.209 58.200 0.010 0.000 1.025 2186 S CB -0.355 62.846 63.200 0.003 0.000 0.902 2186 S HN 0.211 nan 8.310 nan 0.000 0.440 2187 K N 0.407 120.765 120.400 -0.070 0.000 2.113 2187 K HA -0.048 4.269 4.320 -0.006 0.000 0.208 2187 K C 1.832 178.247 176.600 -0.308 0.000 1.047 2187 K CA 1.419 57.555 56.287 -0.252 0.000 0.928 2187 K CB -0.500 31.864 32.500 -0.227 0.000 0.716 2187 K HN 0.486 nan 8.250 nan 0.000 0.446 2188 F N 1.213 121.143 119.950 -0.033 0.000 2.179 2188 F HA -0.117 4.405 4.527 -0.009 0.000 0.292 2188 F C 2.355 178.054 175.800 -0.169 0.000 1.089 2188 F CA 1.161 59.162 58.000 0.001 0.000 1.295 2188 F CB -0.376 38.610 39.000 -0.023 0.000 1.041 2188 F HN 0.035 nan 8.300 nan 0.000 0.487 2189 D N -0.069 120.352 120.400 0.037 0.000 2.097 2189 D HA -0.160 4.476 4.640 -0.006 0.000 0.195 2189 D C 1.740 177.985 176.300 -0.091 0.000 0.989 2189 D CA 1.550 55.526 54.000 -0.040 0.000 0.827 2189 D CB -0.138 40.693 40.800 0.051 0.000 0.966 2189 D HN 0.116 nan 8.370 nan 0.000 0.456 2190 N N 0.035 118.680 118.700 -0.091 0.000 2.244 2190 N HA -0.058 4.678 4.740 -0.006 0.000 0.189 2190 N C 1.744 177.143 175.510 -0.186 0.000 1.047 2190 N CA 0.106 53.095 53.050 -0.103 0.000 0.870 2190 N CB -0.789 37.640 38.487 -0.098 0.000 1.041 2190 N HN 0.152 nan 8.380 nan 0.000 0.448 2191 L N 0.957 121.994 121.223 -0.310 0.000 1.950 2191 L HA -0.089 4.247 4.340 -0.006 0.000 0.210 2191 L C 2.113 178.752 176.870 -0.385 0.000 1.079 2191 L CA 1.906 56.480 54.840 -0.443 0.000 0.754 2191 L CB -1.382 40.224 42.059 -0.756 0.000 0.889 2191 L HN 0.083 nan 8.230 nan 0.000 0.433 2192 Y N 0.303 120.440 120.300 -0.272 0.000 2.224 2192 Y HA -0.075 4.474 4.550 -0.003 0.000 0.289 2192 Y C 2.559 178.356 175.900 -0.172 0.000 1.146 2192 Y CA 0.895 58.842 58.100 -0.254 0.000 1.182 2192 Y CB -1.439 36.746 38.460 -0.459 0.000 0.983 2192 Y HN 0.265 nan 8.280 nan 0.000 0.524 2193 G N -0.845 107.862 108.800 -0.155 0.000 2.484 2193 G HA2 -0.238 3.719 3.960 -0.006 0.000 0.215 2193 G HA3 -0.238 3.719 3.960 -0.006 0.000 0.215 2193 G C 1.760 176.637 174.900 -0.038 0.000 1.219 2193 G CA 1.310 46.166 45.100 -0.406 0.000 0.791 2193 G HN 0.469 nan 8.290 nan 0.000 0.550 2194 C N 0.021 119.339 119.300 0.030 0.000 2.410 2194 C HA 0.049 4.505 4.460 -0.006 0.000 0.281 2194 C C 2.782 177.818 174.990 0.077 0.000 1.318 2194 C CA 0.731 59.832 59.018 0.139 0.000 1.776 2194 C CB -1.011 26.776 27.740 0.077 0.000 1.942 2194 C HN 0.527 nan 8.230 nan 0.000 0.508 2195 R N 0.993 121.516 120.500 0.038 0.000 2.096 2195 R HA -0.126 4.210 4.340 -0.006 0.000 0.235 2195 R C 2.193 178.547 176.300 0.091 0.000 1.127 2195 R CA 1.417 57.550 56.100 0.054 0.000 0.968 2195 R CB -0.101 30.230 30.300 0.052 0.000 0.861 2195 R HN 0.609 nan 8.270 nan 0.000 0.440 2196 E N -0.197 120.065 120.200 0.103 0.000 2.051 2196 E HA -0.086 4.261 4.350 -0.006 0.000 0.189 2196 E C 1.969 178.645 176.600 0.127 0.000 0.979 2196 E CA 1.534 58.002 56.400 0.115 0.000 0.803 2196 E CB -0.053 29.715 29.700 0.114 0.000 0.761 2196 E HN 0.402 nan 8.360 nan 0.000 0.451 2197 S N 1.605 117.392 115.700 0.146 0.000 2.461 2197 S HA -0.069 4.397 4.470 -0.006 0.000 0.228 2197 S C 2.091 176.742 174.600 0.086 0.000 1.005 2197 S CA 0.323 58.596 58.200 0.120 0.000 0.942 2197 S CB -0.349 62.931 63.200 0.134 0.000 0.776 2197 S HN 0.109 nan 8.310 nan 0.000 0.514 2198 L N 2.813 124.088 121.223 0.086 0.000 1.963 2198 L HA -0.124 4.212 4.340 -0.006 0.000 0.220 2198 L C 2.121 179.019 176.870 0.046 0.000 1.076 2198 L CA 1.933 56.807 54.840 0.058 0.000 0.772 2198 L CB -0.884 41.208 42.059 0.055 0.000 0.892 2198 L HN 0.269 nan 8.230 nan 0.000 0.435 2199 I N -0.316 120.293 120.570 0.064 0.000 2.423 2199 I HA -0.252 3.914 4.170 -0.006 0.000 0.254 2199 I C 2.216 178.334 176.117 0.001 0.000 1.151 2199 I CA 1.515 62.823 61.300 0.015 0.000 1.421 2199 I CB -1.328 36.705 38.000 0.056 0.000 1.079 2199 I HN 0.445 nan 8.210 nan 0.000 0.431 2200 D N 1.337 121.764 120.400 0.045 0.000 2.117 2200 D HA -0.120 4.516 4.640 -0.006 0.000 0.197 2200 D C 2.212 178.524 176.300 0.019 0.000 0.987 2200 D CA 1.595 55.618 54.000 0.039 0.000 0.829 2200 D CB -0.151 40.684 40.800 0.059 0.000 0.961 2200 D HN 0.318 nan 8.370 nan 0.000 0.460 2201 G N 0.802 109.614 108.800 0.021 0.000 2.484 2201 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.215 2201 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.215 2201 G C 1.928 176.832 174.900 0.006 0.000 1.219 2201 G CA 0.808 45.917 45.100 0.015 0.000 0.791 2201 G HN 0.342 nan 8.290 nan 0.000 0.550 2202 I N 0.522 121.090 120.570 -0.004 0.000 2.185 2202 I HA -0.226 3.940 4.170 -0.006 0.000 0.246 2202 I C 2.838 178.935 176.117 -0.033 0.000 1.088 2202 I CA 1.287 62.578 61.300 -0.016 0.000 1.347 2202 I CB -0.149 37.829 38.000 -0.036 0.000 1.041 2202 I HN 0.043 nan 8.210 nan 0.000 0.415 2203 K N 0.690 121.058 120.400 -0.054 0.000 2.057 2203 K HA -0.085 4.232 4.320 -0.006 0.000 0.206 2203 K C 2.181 178.766 176.600 -0.025 0.000 1.050 2203 K CA 1.290 57.541 56.287 -0.059 0.000 0.935 2203 K CB -0.386 32.067 32.500 -0.077 0.000 0.715 2203 K HN 0.352 nan 8.250 nan 0.000 0.439 2204 R N 0.241 120.736 120.500 -0.009 0.000 2.148 2204 R HA -0.037 4.299 4.340 -0.006 0.000 0.227 2204 R C 2.164 178.466 176.300 0.004 0.000 1.103 2204 R CA 1.132 57.234 56.100 0.003 0.000 0.983 2204 R CB -0.126 30.182 30.300 0.013 0.000 0.874 2204 R HN 0.153 nan 8.270 nan 0.000 0.451 2205 A N 0.009 122.831 122.820 0.004 0.000 1.943 2205 A HA -0.069 4.247 4.320 -0.006 0.000 0.213 2205 A C 2.007 179.594 177.584 0.005 0.000 1.181 2205 A CA 1.516 53.559 52.037 0.009 0.000 0.653 2205 A CB -0.023 18.988 19.000 0.017 0.000 0.833 2205 A HN 0.420 nan 8.150 nan 0.000 0.451 2206 T N -6.152 108.401 114.554 -0.002 0.000 2.955 2206 T HA 0.161 4.507 4.350 -0.006 0.000 0.251 2206 T C 0.210 174.902 174.700 -0.014 0.000 1.002 2206 T CA 0.773 62.870 62.100 -0.004 0.000 0.970 2206 T CB 0.141 69.008 68.868 -0.002 0.000 1.091 2206 T HN 0.228 nan 8.240 nan 0.000 0.495 2207 D N 0.697 121.083 120.400 -0.024 0.000 2.837 2207 D HA -0.119 4.517 4.640 -0.006 0.000 0.230 2207 D C -0.195 176.083 176.300 -0.036 0.000 1.152 2207 D CA 0.409 54.391 54.000 -0.029 0.000 0.736 2207 D CB -1.637 39.154 40.800 -0.015 0.000 1.084 2207 D HN 0.493 nan 8.370 nan 0.000 0.429 2208 V N 0.810 120.695 119.914 -0.048 0.000 2.546 2208 V HA 0.295 4.411 4.120 -0.006 0.000 0.284 2208 V C 0.762 176.809 176.094 -0.078 0.000 1.050 2208 V CA -0.572 61.699 62.300 -0.048 0.000 0.981 2208 V CB 1.595 33.397 31.823 -0.035 0.000 0.990 2208 V HN 0.231 nan 8.190 nan 0.000 0.474 2209 M N 6.471 126.037 119.600 -0.055 0.000 2.238 2209 M HA 0.190 4.666 4.480 -0.006 0.000 0.350 2209 M C 0.311 176.567 176.300 -0.073 0.000 1.321 2209 M CA 0.268 55.532 55.300 -0.059 0.000 1.097 2209 M CB 0.568 33.156 32.600 -0.020 0.000 1.713 2209 M HN 0.599 nan 8.290 nan 0.000 0.455 2210 I N 3.457 123.959 120.570 -0.114 0.000 2.731 2210 I HA 0.159 4.325 4.170 -0.006 0.000 0.260 2210 I C 1.235 177.359 176.117 0.010 0.000 1.138 2210 I CA 0.463 61.708 61.300 -0.092 0.000 1.461 2210 I CB -1.713 36.154 38.000 -0.223 0.000 1.128 2210 I HN 0.799 nan 8.210 nan 0.000 0.438 2211 A N 0.585 123.439 122.820 0.056 0.000 2.531 2211 A HA 0.377 4.694 4.320 -0.006 0.000 0.236 2211 A C 1.565 179.172 177.584 0.039 0.000 1.062 2211 A CA 0.799 52.881 52.037 0.076 0.000 0.760 2211 A CB -0.464 18.590 19.000 0.090 0.000 0.995 2211 A HN 0.800 nan 8.150 nan 0.000 0.501 2212 G N 0.840 109.662 108.800 0.036 0.000 2.168 2212 G HA2 -0.249 3.707 3.960 -0.006 0.000 0.263 2212 G HA3 -0.249 3.707 3.960 -0.006 0.000 0.263 2212 G C 0.298 175.205 174.900 0.011 0.000 0.977 2212 G CA 1.042 46.155 45.100 0.021 0.000 0.659 2212 G HN 0.861 nan 8.290 nan 0.000 0.533 2213 K N -0.466 119.940 120.400 0.009 0.000 2.166 2213 K HA 0.634 4.950 4.320 -0.006 0.000 0.245 2213 K C -0.052 176.536 176.600 -0.019 0.000 0.967 2213 K CA -0.799 55.484 56.287 -0.007 0.000 0.863 2213 K CB 2.180 34.671 32.500 -0.014 0.000 1.107 2213 K HN -0.012 nan 8.250 nan 0.000 0.436 2214 V N 2.147 122.034 119.914 -0.045 0.000 2.364 2214 V HA 0.372 4.488 4.120 -0.006 0.000 0.272 2214 V C -0.332 175.673 176.094 -0.149 0.000 1.036 2214 V CA -0.712 61.542 62.300 -0.077 0.000 0.880 2214 V CB 0.998 32.773 31.823 -0.081 0.000 0.991 2214 V HN 0.822 nan 8.190 nan 0.000 0.460 2215 A N 5.199 127.936 122.820 -0.140 0.000 2.303 2215 A HA 0.794 5.110 4.320 -0.006 0.000 0.320 2215 A C -0.649 176.784 177.584 -0.251 0.000 1.192 2215 A CA -0.509 51.409 52.037 -0.198 0.000 0.821 2215 A CB 1.335 20.276 19.000 -0.098 0.000 1.188 2215 A HN 0.628 nan 8.150 nan 0.000 0.492 2216 V N 3.700 123.359 119.914 -0.425 0.000 2.347 2216 V HA 0.336 4.453 4.120 -0.006 0.000 0.280 2216 V C -0.284 175.689 176.094 -0.201 0.000 1.021 2216 V CA -0.408 61.678 62.300 -0.356 0.000 0.847 2216 V CB 1.258 32.742 31.823 -0.565 0.000 0.990 2216 V HN 0.602 nan 8.190 nan 0.000 0.444 2217 V N 4.601 124.439 119.914 -0.127 0.000 2.328 2217 V HA 0.594 4.710 4.120 -0.006 0.000 0.278 2217 V C 0.612 176.681 176.094 -0.042 0.000 1.021 2217 V CA -0.645 61.612 62.300 -0.070 0.000 0.838 2217 V CB 1.483 33.260 31.823 -0.077 0.000 0.999 2217 V HN 0.925 nan 8.190 nan 0.000 0.447 2218 A N 4.308 127.121 122.820 -0.012 0.000 2.350 2218 A HA 0.739 5.056 4.320 -0.006 0.000 0.293 2218 A C 0.801 178.389 177.584 0.006 0.000 1.231 2218 A CA 0.526 52.560 52.037 -0.005 0.000 0.883 2218 A CB -0.382 18.620 19.000 0.004 0.000 1.133 2218 A HN 1.989 nan 8.150 nan 0.000 0.533 2219 G N 0.686 109.497 108.800 0.018 0.000 2.906 2219 G HA2 0.004 3.960 3.960 -0.006 0.000 0.686 2219 G HA3 0.004 3.960 3.960 -0.006 0.000 0.686 2219 G C -0.753 174.197 174.900 0.084 0.000 1.170 2219 G CA -0.296 44.825 45.100 0.036 0.000 0.775 2219 G HN 1.415 nan 8.290 nan 0.000 0.630 2220 Y N 2.590 122.849 120.300 -0.069 0.000 2.669 2220 Y HA 0.528 5.074 4.550 -0.007 0.000 0.302 2220 Y C 1.251 177.112 175.900 -0.066 0.000 1.000 2220 Y CA 0.267 58.317 58.100 -0.084 0.000 1.222 2220 Y CB 0.069 38.481 38.460 -0.081 0.000 1.209 2220 Y HN 0.933 nan 8.280 nan 0.000 0.571 2221 G N 0.008 108.726 108.800 -0.137 0.000 2.494 2221 G HA2 0.008 3.964 3.960 -0.006 0.000 0.270 2221 G HA3 0.008 3.964 3.960 -0.006 0.000 0.270 2221 G C 0.478 175.220 174.900 -0.263 0.000 1.423 2221 G CA -0.025 44.981 45.100 -0.156 0.000 1.055 2221 G HN 0.213 nan 8.290 nan 0.000 0.536 2222 D N -1.193 119.085 120.400 -0.202 0.000 2.123 2222 D HA -0.130 4.506 4.640 -0.006 0.000 0.196 2222 D C 2.690 178.848 176.300 -0.237 0.000 0.992 2222 D CA 0.859 54.716 54.000 -0.238 0.000 0.833 2222 D CB -0.321 40.365 40.800 -0.190 0.000 0.954 2222 D HN 0.046 nan 8.370 nan 0.000 0.455 2223 V N 0.613 120.428 119.914 -0.164 0.000 2.270 2223 V HA -0.141 3.975 4.120 -0.006 0.000 0.245 2223 V C 2.534 178.541 176.094 -0.145 0.000 1.043 2223 V CA 2.037 64.263 62.300 -0.124 0.000 1.014 2223 V CB -1.004 30.780 31.823 -0.064 0.000 0.645 2223 V HN 0.264 nan 8.190 nan 0.000 0.447 2224 G N -0.562 108.142 108.800 -0.160 0.000 2.442 2224 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.219 2224 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.219 2224 G C 1.680 176.414 174.900 -0.276 0.000 1.141 2224 G CA 1.069 46.075 45.100 -0.157 0.000 0.763 2224 G HN 0.463 nan 8.290 nan 0.000 0.554 2225 K N -0.099 120.008 120.400 -0.488 0.000 2.026 2225 K HA -0.017 4.299 4.320 -0.006 0.000 0.208 2225 K C 2.776 179.223 176.600 -0.256 0.000 1.048 2225 K CA 1.090 57.028 56.287 -0.581 0.000 0.929 2225 K CB -0.429 31.706 32.500 -0.608 0.000 0.713 2225 K HN 0.262 nan 8.250 nan 0.000 0.439 2226 G N 0.454 109.126 108.800 -0.214 0.000 2.402 2226 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.216 2226 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.216 2226 G C 1.601 176.470 174.900 -0.053 0.000 1.162 2226 G CA 0.926 45.952 45.100 -0.123 0.000 0.777 2226 G HN 0.327 nan 8.290 nan 0.000 0.539 2227 C N 0.865 120.128 119.300 -0.062 0.000 2.453 2227 C HA 0.193 4.649 4.460 -0.006 0.000 0.277 2227 C C 3.542 178.524 174.990 -0.015 0.000 1.262 2227 C CA 0.865 59.870 59.018 -0.022 0.000 1.718 2227 C CB -0.917 26.805 27.740 -0.030 0.000 2.031 2227 C HN 0.563 nan 8.230 nan 0.000 0.480 2228 A N -0.202 122.581 122.820 -0.063 0.000 1.877 2228 A HA -0.280 4.036 4.320 -0.006 0.000 0.216 2228 A C 2.140 179.759 177.584 0.058 0.000 1.186 2228 A CA 2.010 53.991 52.037 -0.094 0.000 0.620 2228 A CB -0.854 17.957 19.000 -0.314 0.000 0.822 2228 A HN 0.722 nan 8.150 nan 0.000 0.443 2229 Q N -0.628 119.225 119.800 0.087 0.000 2.030 2229 Q HA -0.180 4.156 4.340 -0.006 0.000 0.204 2229 Q C 2.276 178.340 176.000 0.106 0.000 0.986 2229 Q CA 1.842 57.730 55.803 0.142 0.000 0.843 2229 Q CB -0.391 28.399 28.738 0.087 0.000 0.904 2229 Q HN 0.620 nan 8.270 nan 0.000 0.420 2230 A N 0.738 123.609 122.820 0.085 0.000 1.859 2230 A HA -0.235 4.082 4.320 -0.006 0.000 0.217 2230 A C 2.071 179.768 177.584 0.189 0.000 1.198 2230 A CA 1.759 53.865 52.037 0.115 0.000 0.629 2230 A CB -1.041 18.032 19.000 0.122 0.000 0.830 2230 A HN 0.464 nan 8.150 nan 0.000 0.446 2231 L N -1.169 120.159 121.223 0.175 0.000 2.042 2231 L HA -0.201 4.135 4.340 -0.006 0.000 0.210 2231 L C 2.796 179.785 176.870 0.198 0.000 1.076 2231 L CA 1.846 56.805 54.840 0.199 0.000 0.749 2231 L CB -0.448 41.670 42.059 0.099 0.000 0.893 2231 L HN 0.498 nan 8.230 nan 0.000 0.432 2232 R N 0.314 120.915 120.500 0.168 0.000 2.105 2232 R HA -0.146 4.190 4.340 -0.006 0.000 0.239 2232 R C 2.159 178.514 176.300 0.090 0.000 1.135 2232 R CA 1.460 57.654 56.100 0.157 0.000 0.967 2232 R CB -0.468 29.965 30.300 0.222 0.000 0.861 2232 R HN 0.384 nan 8.270 nan 0.000 0.442 2233 G N -0.842 107.985 108.800 0.045 0.000 2.509 2233 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.218 2233 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.218 2233 G C 0.851 175.651 174.900 -0.166 0.000 1.124 2233 G CA 0.100 45.152 45.100 -0.081 0.000 0.776 2233 G HN 0.285 nan 8.290 nan 0.000 0.547 2234 F N 0.315 120.281 119.950 0.026 0.000 2.776 2234 F HA 0.330 4.855 4.527 -0.004 0.000 0.300 2234 F C 1.952 177.761 175.800 0.015 0.000 1.116 2234 F CA 0.337 58.348 58.000 0.019 0.000 1.375 2234 F CB 0.666 39.676 39.000 0.018 0.000 1.109 2234 F HN 0.238 nan 8.300 nan 0.000 0.585 2235 G N 0.095 108.990 108.800 0.159 0.000 2.138 2235 G HA2 -0.012 3.944 3.960 -0.006 0.000 0.193 2235 G HA3 -0.012 3.944 3.960 -0.006 0.000 0.193 2235 G C 0.169 175.123 174.900 0.091 0.000 0.998 2235 G CA -0.192 44.969 45.100 0.103 0.000 0.668 2235 G HN 0.578 nan 8.290 nan 0.000 0.516 2236 A N -0.279 122.605 122.820 0.107 0.000 2.279 2236 A HA 0.856 5.173 4.320 -0.006 0.000 0.303 2236 A C 0.558 178.180 177.584 0.063 0.000 1.108 2236 A CA 0.011 52.091 52.037 0.071 0.000 0.830 2236 A CB 0.648 19.688 19.000 0.066 0.000 1.106 2236 A HN 0.875 nan 8.150 nan 0.000 0.493 2237 R N 1.993 122.514 120.500 0.035 0.000 2.391 2237 R HA 0.451 4.787 4.340 -0.006 0.000 0.310 2237 R C -1.347 174.973 176.300 0.034 0.000 1.174 2237 R CA -0.250 55.872 56.100 0.036 0.000 1.118 2237 R CB -0.002 30.305 30.300 0.012 0.000 1.134 2237 R HN 0.448 nan 8.270 nan 0.000 0.524 2238 V N 6.689 126.660 119.914 0.096 0.000 2.555 2238 V HA 0.177 4.293 4.120 -0.006 0.000 0.286 2238 V C 0.529 176.656 176.094 0.054 0.000 1.044 2238 V CA 0.068 62.405 62.300 0.062 0.000 1.026 2238 V CB 0.967 32.843 31.823 0.087 0.000 0.981 2238 V HN 0.673 nan 8.190 nan 0.000 0.480 2239 I N 5.886 126.426 120.570 -0.051 0.000 2.433 2239 I HA 0.467 4.633 4.170 -0.006 0.000 0.292 2239 I C -0.561 175.494 176.117 -0.102 0.000 1.001 2239 I CA -0.546 60.720 61.300 -0.057 0.000 1.119 2239 I CB 1.818 39.771 38.000 -0.078 0.000 1.289 2239 I HN 0.338 nan 8.210 nan 0.000 0.438 2240 I N 4.177 124.685 120.570 -0.103 0.000 2.607 2240 I HA 0.450 4.616 4.170 -0.006 0.000 0.305 2240 I C 0.371 176.439 176.117 -0.082 0.000 0.995 2240 I CA -0.404 60.823 61.300 -0.121 0.000 1.148 2240 I CB 1.912 39.787 38.000 -0.207 0.000 1.323 2240 I HN 0.568 nan 8.210 nan 0.000 0.461 2241 T N 1.886 116.406 114.554 -0.057 0.000 2.876 2241 T HA 0.720 5.066 4.350 -0.006 0.000 0.289 2241 T C -0.588 174.100 174.700 -0.020 0.000 1.014 2241 T CA -0.571 61.505 62.100 -0.041 0.000 0.986 2241 T CB 2.878 71.721 68.868 -0.042 0.000 1.021 2241 T HN 0.597 nan 8.240 nan 0.000 0.458 2242 E N 1.337 121.527 120.200 -0.016 0.000 2.407 2242 E HA 0.344 4.690 4.350 -0.006 0.000 0.279 2242 E C 0.127 176.726 176.600 -0.001 0.000 1.012 2242 E CA -0.526 55.875 56.400 0.002 0.000 0.800 2242 E CB 2.070 31.777 29.700 0.012 0.000 1.276 2242 E HN 0.812 nan 8.360 nan 0.000 0.452 2243 I N -2.505 118.069 120.570 0.006 0.000 4.187 2243 I HA 0.349 4.515 4.170 -0.006 0.000 0.326 2243 I C 0.565 176.685 176.117 0.005 0.000 1.302 2243 I CA -0.028 61.274 61.300 0.003 0.000 1.196 2243 I CB 0.562 38.564 38.000 0.003 0.000 1.095 2243 I HN 0.070 nan 8.210 nan 0.000 0.411 2244 D N 2.993 123.399 120.400 0.011 0.000 2.232 2244 D HA 0.261 4.897 4.640 -0.006 0.000 0.242 2244 D C -1.604 174.703 176.300 0.012 0.000 1.093 2244 D CA -2.437 51.570 54.000 0.012 0.000 0.845 2244 D CB 2.146 42.958 40.800 0.019 0.000 1.124 2244 D HN -0.048 nan 8.370 nan 0.000 0.467 2245 P HA -0.085 nan 4.420 nan 0.000 0.218 2245 P C 1.766 179.070 177.300 0.006 0.000 1.149 2245 P CA 0.776 63.877 63.100 0.001 0.000 0.817 2245 P CB 0.604 32.302 31.700 -0.002 0.000 0.785 2246 I N -0.288 120.290 120.570 0.013 0.000 2.286 2246 I HA -0.205 3.961 4.170 -0.006 0.000 0.245 2246 I C 1.980 178.125 176.117 0.046 0.000 1.104 2246 I CA 1.404 62.716 61.300 0.021 0.000 1.397 2246 I CB -0.775 37.235 38.000 0.016 0.000 1.072 2246 I HN -0.089 nan 8.210 nan 0.000 0.417 2247 N N 1.083 119.823 118.700 0.066 0.000 2.216 2247 N HA -0.075 4.661 4.740 -0.006 0.000 0.183 2247 N C 1.887 177.464 175.510 0.111 0.000 1.017 2247 N CA 1.337 54.476 53.050 0.148 0.000 0.861 2247 N CB -0.257 38.321 38.487 0.151 0.000 0.986 2247 N HN 0.299 nan 8.380 nan 0.000 0.428 2248 A N 0.730 123.565 122.820 0.025 0.000 1.902 2248 A HA -0.074 4.243 4.320 -0.006 0.000 0.217 2248 A C 2.163 179.706 177.584 -0.069 0.000 1.181 2248 A CA 1.011 53.020 52.037 -0.047 0.000 0.623 2248 A CB -0.783 18.199 19.000 -0.030 0.000 0.818 2248 A HN 0.339 nan 8.150 nan 0.000 0.443 2249 L N -0.581 120.626 121.223 -0.025 0.000 2.056 2249 L HA -0.214 4.122 4.340 -0.006 0.000 0.207 2249 L C 2.563 179.421 176.870 -0.020 0.000 1.078 2249 L CA 1.947 56.773 54.840 -0.023 0.000 0.749 2249 L CB -0.435 41.620 42.059 -0.006 0.000 0.901 2249 L HN 0.464 nan 8.230 nan 0.000 0.433 2250 Q N -0.145 119.668 119.800 0.021 0.000 2.096 2250 Q HA -0.247 4.089 4.340 -0.006 0.000 0.204 2250 Q C 2.290 178.299 176.000 0.016 0.000 0.982 2250 Q CA 1.772 57.627 55.803 0.087 0.000 0.850 2250 Q CB -0.376 28.504 28.738 0.237 0.000 0.901 2250 Q HN 0.761 nan 8.270 nan 0.000 0.422 2251 A N 1.018 123.667 122.820 -0.284 0.000 1.873 2251 A HA -0.068 4.248 4.320 -0.006 0.000 0.215 2251 A C 2.322 179.827 177.584 -0.132 0.000 1.186 2251 A CA 1.463 53.168 52.037 -0.555 0.000 0.616 2251 A CB -0.758 17.630 19.000 -1.020 0.000 0.823 2251 A HN 0.395 nan 8.150 nan 0.000 0.442 2252 A N -0.811 121.939 122.820 -0.116 0.000 1.908 2252 A HA -0.152 4.164 4.320 -0.006 0.000 0.218 2252 A C 2.063 179.608 177.584 -0.064 0.000 1.181 2252 A CA 2.025 54.020 52.037 -0.070 0.000 0.627 2252 A CB -0.507 18.459 19.000 -0.057 0.000 0.818 2252 A HN 0.403 nan 8.150 nan 0.000 0.445 2253 M N -0.814 118.758 119.600 -0.046 0.000 2.539 2253 M HA -0.052 4.425 4.480 -0.006 0.000 0.261 2253 M C 1.254 177.524 176.300 -0.049 0.000 1.069 2253 M CA 1.180 56.459 55.300 -0.034 0.000 1.081 2253 M CB -1.029 31.567 32.600 -0.008 0.000 1.412 2253 M HN 0.367 nan 8.290 nan 0.000 0.482 2254 E N -0.807 119.352 120.200 -0.069 0.000 2.481 2254 E HA 0.293 4.639 4.350 -0.006 0.000 0.198 2254 E C 1.138 177.525 176.600 -0.356 0.000 1.027 2254 E CA 0.556 56.873 56.400 -0.139 0.000 0.900 2254 E CB 0.083 29.780 29.700 -0.005 0.000 0.993 2254 E HN 0.523 nan 8.360 nan 0.000 0.482 2255 G N -0.199 108.434 108.800 -0.279 0.000 2.176 2255 G HA2 -0.274 3.682 3.960 -0.006 0.000 0.232 2255 G HA3 -0.274 3.682 3.960 -0.006 0.000 0.232 2255 G C -0.358 174.354 174.900 -0.314 0.000 0.986 2255 G CA -0.082 44.840 45.100 -0.296 0.000 0.643 2255 G HN 0.172 nan 8.290 nan 0.000 0.522 2256 Y N 1.225 121.466 120.300 -0.099 0.000 2.304 2256 Y HA 0.532 5.078 4.550 -0.007 0.000 0.328 2256 Y C 0.788 176.618 175.900 -0.118 0.000 1.123 2256 Y CA -0.798 57.233 58.100 -0.115 0.000 1.218 2256 Y CB 0.897 39.250 38.460 -0.178 0.000 1.207 2256 Y HN 0.335 nan 8.280 nan 0.000 0.495 2257 E N 2.114 122.357 120.200 0.071 0.000 2.338 2257 E HA 0.446 4.793 4.350 -0.006 0.000 0.272 2257 E C -1.551 175.041 176.600 -0.013 0.000 1.029 2257 E CA -0.414 55.991 56.400 0.008 0.000 0.872 2257 E CB 0.726 30.425 29.700 -0.001 0.000 1.015 2257 E HN 0.438 nan 8.360 nan 0.000 0.417 2258 V N 4.994 124.887 119.914 -0.034 0.000 2.444 2258 V HA 0.391 4.507 4.120 -0.006 0.000 0.294 2258 V C -0.142 175.928 176.094 -0.040 0.000 1.022 2258 V CA -0.458 61.810 62.300 -0.053 0.000 0.850 2258 V CB 1.343 33.124 31.823 -0.069 0.000 0.992 2258 V HN 0.935 nan 8.190 nan 0.000 0.426 2259 T N 0.667 115.197 114.554 -0.040 0.000 2.669 2259 T HA 0.602 4.948 4.350 -0.006 0.000 0.283 2259 T C -0.027 174.653 174.700 -0.034 0.000 1.019 2259 T CA -0.690 61.391 62.100 -0.031 0.000 1.039 2259 T CB 1.781 70.633 68.868 -0.027 0.000 1.374 2259 T HN 0.662 nan 8.240 nan 0.000 0.523 2260 T N -0.911 113.627 114.554 -0.028 0.000 2.922 2260 T HA 0.415 4.761 4.350 -0.006 0.000 0.285 2260 T C 1.173 175.840 174.700 -0.055 0.000 1.005 2260 T CA -0.775 61.306 62.100 -0.031 0.000 1.061 2260 T CB 1.008 69.867 68.868 -0.014 0.000 1.007 2260 T HN 0.486 nan 8.240 nan 0.000 0.502 2261 M N 1.080 120.621 119.600 -0.098 0.000 2.213 2261 M HA -0.053 4.423 4.480 -0.006 0.000 0.263 2261 M C 1.222 177.374 176.300 -0.246 0.000 1.062 2261 M CA 1.565 56.731 55.300 -0.223 0.000 1.105 2261 M CB -1.196 31.158 32.600 -0.409 0.000 1.385 2261 M HN 0.701 nan 8.290 nan 0.000 0.417 2262 D N 0.073 120.430 120.400 -0.073 0.000 2.221 2262 D HA -0.157 4.479 4.640 -0.006 0.000 0.204 2262 D C 1.850 178.168 176.300 0.031 0.000 0.982 2262 D CA 1.180 55.217 54.000 0.062 0.000 0.857 2262 D CB -0.041 40.807 40.800 0.080 0.000 0.934 2262 D HN 0.503 nan 8.370 nan 0.000 0.475 2263 E N -0.170 120.031 120.200 0.001 0.000 2.175 2263 E HA 0.166 4.512 4.350 -0.006 0.000 0.195 2263 E C 2.118 178.728 176.600 0.017 0.000 0.934 2263 E CA 0.486 56.893 56.400 0.012 0.000 0.870 2263 E CB -0.364 29.338 29.700 0.003 0.000 0.838 2263 E HN 0.137 nan 8.360 nan 0.000 0.474 2264 A N 2.017 124.837 122.820 0.000 0.000 1.940 2264 A HA -0.229 4.087 4.320 -0.006 0.000 0.219 2264 A C 2.605 180.263 177.584 0.123 0.000 1.176 2264 A CA 1.852 53.898 52.037 0.016 0.000 0.631 2264 A CB -1.320 17.668 19.000 -0.020 0.000 0.814 2264 A HN 0.504 nan 8.150 nan 0.000 0.446 2265 C N -0.200 119.181 119.300 0.136 0.000 2.403 2265 C HA -0.108 4.348 4.460 -0.006 0.000 0.279 2265 C C 2.231 177.354 174.990 0.221 0.000 1.269 2265 C CA 1.232 60.375 59.018 0.208 0.000 1.774 2265 C CB -1.390 26.307 27.740 -0.071 0.000 1.993 2265 C HN 0.611 nan 8.230 nan 0.000 0.496 2266 K N 0.794 121.274 120.400 0.132 0.000 2.486 2266 K HA 0.040 4.356 4.320 -0.006 0.000 0.194 2266 K C 1.866 178.537 176.600 0.118 0.000 1.033 2266 K CA 0.981 57.338 56.287 0.117 0.000 1.004 2266 K CB -0.082 32.464 32.500 0.076 0.000 0.798 2266 K HN 0.674 nan 8.250 nan 0.000 0.495 2267 E N 0.758 121.026 120.200 0.113 0.000 2.364 2267 E HA 0.046 4.392 4.350 -0.006 0.000 0.203 2267 E C 0.727 177.341 176.600 0.022 0.000 0.888 2267 E CA -0.201 56.232 56.400 0.055 0.000 0.989 2267 E CB 0.534 30.241 29.700 0.011 0.000 0.985 2267 E HN 0.265 nan 8.360 nan 0.000 0.499 2268 G N 0.371 109.156 108.800 -0.025 0.000 2.544 2268 G HA2 -0.034 3.922 3.960 -0.006 0.000 0.242 2268 G HA3 -0.034 3.922 3.960 -0.006 0.000 0.242 2268 G C 0.051 174.937 174.900 -0.024 0.000 1.247 2268 G CA -0.169 44.761 45.100 -0.283 0.000 0.840 2268 G HN 0.184 nan 8.290 nan 0.000 0.578 2269 N N -0.644 117.999 118.700 -0.094 0.000 2.348 2269 N HA 0.229 4.965 4.740 -0.006 0.000 0.183 2269 N C 0.050 175.594 175.510 0.058 0.000 1.094 2269 N CA 0.081 53.150 53.050 0.031 0.000 0.885 2269 N CB 0.558 39.043 38.487 -0.004 0.000 1.065 2269 N HN 0.374 nan 8.380 nan 0.000 0.472 2270 I N 0.309 120.828 120.570 -0.086 0.000 2.656 2270 I HA 0.346 4.512 4.170 -0.006 0.000 0.292 2270 I C -1.599 174.401 176.117 -0.195 0.000 1.144 2270 I CA -0.695 60.601 61.300 -0.006 0.000 1.038 2270 I CB 2.060 40.038 38.000 -0.036 0.000 1.244 2270 I HN -0.207 nan 8.210 nan 0.000 0.420 2271 F N 4.713 124.667 119.950 0.007 0.000 2.518 2271 F HA 0.628 5.151 4.527 -0.006 0.000 0.323 2271 F C -0.367 175.432 175.800 -0.002 0.000 1.129 2271 F CA -0.813 57.182 58.000 -0.009 0.000 0.920 2271 F CB 2.144 41.134 39.000 -0.017 0.000 1.160 2271 F HN -0.062 nan 8.300 nan 0.000 0.440 2272 V N 1.726 121.705 119.914 0.109 0.000 2.588 2272 V HA 0.588 4.704 4.120 -0.006 0.000 0.304 2272 V C -0.469 175.660 176.094 0.058 0.000 1.042 2272 V CA -0.931 61.411 62.300 0.070 0.000 0.877 2272 V CB 2.177 34.013 31.823 0.022 0.000 0.996 2272 V HN 0.797 nan 8.190 nan 0.000 0.425 2273 T N -0.154 114.434 114.554 0.057 0.000 2.794 2273 T HA 0.524 4.870 4.350 -0.006 0.000 0.280 2273 T C 0.273 174.990 174.700 0.028 0.000 0.987 2273 T CA -0.432 61.694 62.100 0.043 0.000 0.993 2273 T CB 1.685 70.585 68.868 0.052 0.000 0.939 2273 T HN 0.569 nan 8.240 nan 0.000 0.449 2274 T N 1.747 116.311 114.554 0.017 0.000 3.058 2274 T HA 0.130 4.477 4.350 -0.006 0.000 0.278 2274 T C 1.989 176.696 174.700 0.012 0.000 0.974 2274 T CA -0.024 62.078 62.100 0.004 0.000 0.893 2274 T CB 0.069 68.926 68.868 -0.018 0.000 1.138 2274 T HN 0.726 nan 8.240 nan 0.000 0.529 2275 T N 1.304 115.872 114.554 0.023 0.000 2.570 2275 T HA -0.068 4.278 4.350 -0.006 0.000 0.266 2275 T C 1.912 176.629 174.700 0.028 0.000 1.071 2275 T CA 2.128 64.243 62.100 0.025 0.000 1.172 2275 T CB -0.656 68.229 68.868 0.029 0.000 0.864 2275 T HN 0.636 nan 8.240 nan 0.000 0.421 2276 G N -0.115 108.719 108.800 0.056 0.000 2.157 2276 G HA2 -0.230 3.726 3.960 -0.006 0.000 0.239 2276 G HA3 -0.230 3.726 3.960 -0.006 0.000 0.239 2276 G C 0.284 175.168 174.900 -0.027 0.000 0.982 2276 G CA 0.157 45.282 45.100 0.041 0.000 0.650 2276 G HN 0.952 nan 8.290 nan 0.000 0.527 2277 C N 0.135 119.447 119.300 0.020 0.000 2.848 2277 C HA 0.900 5.356 4.460 -0.006 0.000 0.317 2277 C C 1.197 176.219 174.990 0.053 0.000 1.260 2277 C CA -0.097 58.927 59.018 0.010 0.000 1.656 2277 C CB 1.279 29.022 27.740 0.005 0.000 2.174 2277 C HN 1.506 nan 8.230 nan 0.000 0.479 2278 V N 1.446 121.389 119.914 0.049 0.000 3.214 2278 V HA 0.499 4.615 4.120 -0.006 0.000 0.306 2278 V C 0.003 176.123 176.094 0.042 0.000 1.078 2278 V CA 0.236 62.575 62.300 0.064 0.000 1.077 2278 V CB 0.670 32.530 31.823 0.061 0.000 1.121 2278 V HN 1.009 nan 8.190 nan 0.000 0.468 2279 D N 0.349 120.774 120.400 0.040 0.000 2.697 2279 D HA -0.173 4.463 4.640 -0.006 0.000 0.238 2279 D C 0.677 176.988 176.300 0.017 0.000 1.152 2279 D CA 0.878 54.888 54.000 0.018 0.000 0.666 2279 D CB -0.682 40.123 40.800 0.008 0.000 1.037 2279 D HN 0.530 nan 8.370 nan 0.000 0.423 2280 I N -0.369 120.211 120.570 0.017 0.000 2.270 2280 I HA 0.011 4.177 4.170 -0.006 0.000 0.239 2280 I C 1.554 177.661 176.117 -0.016 0.000 1.080 2280 I CA 0.871 62.173 61.300 0.005 0.000 1.383 2280 I CB -0.139 37.864 38.000 0.006 0.000 1.097 2280 I HN 0.133 nan 8.210 nan 0.000 0.420 2281 I N 2.779 123.307 120.570 -0.070 0.000 2.354 2281 I HA 0.220 4.387 4.170 -0.006 0.000 0.286 2281 I C -0.671 175.254 176.117 -0.320 0.000 1.007 2281 I CA -0.455 60.731 61.300 -0.191 0.000 1.167 2281 I CB 1.459 39.217 38.000 -0.404 0.000 1.320 2281 I HN -0.070 nan 8.210 nan 0.000 0.458 2282 L N 4.294 125.330 121.223 -0.312 0.000 2.347 2282 L HA 0.554 4.890 4.340 -0.006 0.000 0.268 2282 L C 1.685 178.014 176.870 -0.903 0.000 1.019 2282 L CA -0.086 54.424 54.840 -0.551 0.000 0.806 2282 L CB 0.612 42.367 42.059 -0.508 0.000 1.339 2282 L HN 0.576 nan 8.230 nan 0.000 0.463 2283 G N 0.100 108.292 108.800 -1.013 0.000 2.442 2283 G HA2 -0.225 3.731 3.960 -0.006 0.000 0.219 2283 G HA3 -0.225 3.731 3.960 -0.006 0.000 0.219 2283 G C 1.368 175.664 174.900 -1.007 0.000 1.141 2283 G CA 0.840 44.846 45.100 -1.823 0.000 0.763 2283 G HN 0.716 nan 8.290 nan 0.000 0.554 2284 R N -0.280 119.807 120.500 -0.689 0.000 2.241 2284 R HA -0.018 4.318 4.340 -0.006 0.000 0.224 2284 R C 1.851 177.924 176.300 -0.380 0.000 1.101 2284 R CA 1.609 57.445 56.100 -0.440 0.000 0.995 2284 R CB -0.763 29.302 30.300 -0.392 0.000 0.870 2284 R HN 0.543 nan 8.270 nan 0.000 0.463 2285 H N -0.465 118.343 119.070 -0.437 0.000 2.355 2285 H HA 0.069 4.621 4.556 -0.006 0.000 0.303 2285 H C 1.492 176.584 175.328 -0.393 0.000 1.061 2285 H CA 1.033 56.822 56.048 -0.431 0.000 1.368 2285 H CB -0.047 29.360 29.762 -0.591 0.000 1.412 2285 H HN 0.052 nan 8.280 nan 0.000 0.523 2286 F N 1.790 121.550 119.950 -0.317 0.000 2.154 2286 F HA -0.175 4.348 4.527 -0.007 0.000 0.301 2286 F C 2.059 177.788 175.800 -0.118 0.000 1.087 2286 F CA 1.314 59.146 58.000 -0.280 0.000 1.274 2286 F CB -0.471 38.274 39.000 -0.424 0.000 1.009 2286 F HN 0.239 nan 8.300 nan 0.000 0.485 2287 E N -0.644 119.587 120.200 0.052 0.000 2.409 2287 E HA -0.167 4.179 4.350 -0.006 0.000 0.198 2287 E C 1.870 178.516 176.600 0.076 0.000 1.024 2287 E CA 0.658 57.119 56.400 0.101 0.000 0.861 2287 E CB -0.150 29.596 29.700 0.077 0.000 0.788 2287 E HN 0.553 nan 8.360 nan 0.000 0.521 2288 Q N -0.515 119.321 119.800 0.059 0.000 2.378 2288 Q HA 0.158 4.494 4.340 -0.006 0.000 0.229 2288 Q C 0.665 176.743 176.000 0.130 0.000 0.882 2288 Q CA 0.008 55.857 55.803 0.077 0.000 0.936 2288 Q CB 0.458 29.228 28.738 0.053 0.000 1.092 2288 Q HN 0.314 nan 8.270 nan 0.000 0.535 2289 M N 2.006 121.676 119.600 0.117 0.000 2.245 2289 M HA -0.011 4.465 4.480 -0.006 0.000 0.335 2289 M C 0.435 176.870 176.300 0.225 0.000 1.155 2289 M CA 0.840 56.227 55.300 0.144 0.000 1.055 2289 M CB 0.289 32.923 32.600 0.056 0.000 1.670 2289 M HN -0.143 nan 8.290 nan 0.000 0.447 2290 K N 1.172 121.673 120.400 0.168 0.000 2.286 2290 K HA 0.020 4.336 4.320 -0.006 0.000 0.256 2290 K C -0.389 176.113 176.600 -0.165 0.000 0.999 2290 K CA -0.411 55.899 56.287 0.038 0.000 0.908 2290 K CB 0.187 32.711 32.500 0.040 0.000 0.981 2290 K HN 0.513 nan 8.250 nan 0.000 0.500 2291 D N 1.361 121.405 120.400 -0.593 0.000 2.458 2291 D HA -0.053 4.583 4.640 -0.006 0.000 0.243 2291 D C -0.199 176.004 176.300 -0.162 0.000 1.146 2291 D CA 0.764 54.429 54.000 -0.558 0.000 0.877 2291 D CB 0.195 40.642 40.800 -0.589 0.000 1.176 2291 D HN 0.458 nan 8.370 nan 0.000 0.461 2292 D N 1.213 121.580 120.400 -0.055 0.000 2.981 2292 D HA -0.181 4.456 4.640 -0.006 0.000 0.223 2292 D C -0.625 175.706 176.300 0.051 0.000 1.151 2292 D CA 0.949 54.956 54.000 0.012 0.000 0.827 2292 D CB -1.252 39.547 40.800 -0.002 0.000 1.101 2292 D HN 0.527 nan 8.370 nan 0.000 0.426 2293 A N 0.212 123.083 122.820 0.085 0.000 2.462 2293 A HA 0.462 4.779 4.320 -0.006 0.000 0.243 2293 A C 0.753 178.442 177.584 0.174 0.000 1.076 2293 A CA 0.047 52.183 52.037 0.165 0.000 0.773 2293 A CB 0.433 19.583 19.000 0.249 0.000 1.010 2293 A HN 0.321 nan 8.150 nan 0.000 0.493 2294 I N 2.538 123.222 120.570 0.191 0.000 2.331 2294 I HA 0.317 4.483 4.170 -0.006 0.000 0.292 2294 I C -0.631 175.629 176.117 0.238 0.000 0.998 2294 I CA -0.360 61.040 61.300 0.166 0.000 1.267 2294 I CB 1.481 39.545 38.000 0.107 0.000 1.386 2294 I HN 0.289 nan 8.210 nan 0.000 0.476 2295 V N 6.133 126.169 119.914 0.205 0.000 2.487 2295 V HA 0.530 4.646 4.120 -0.006 0.000 0.298 2295 V C -0.137 176.057 176.094 0.168 0.000 1.028 2295 V CA -0.542 61.890 62.300 0.220 0.000 0.860 2295 V CB 1.438 33.391 31.823 0.216 0.000 0.991 2295 V HN 1.006 nan 8.190 nan 0.000 0.427 2296 C N 2.561 121.953 119.300 0.153 0.000 3.291 2296 C HA 0.917 5.373 4.460 -0.006 0.000 0.316 2296 C C -0.854 174.194 174.990 0.098 0.000 1.391 2296 C CA -0.863 58.223 59.018 0.113 0.000 1.394 2296 C CB 1.583 29.375 27.740 0.087 0.000 1.744 2296 C HN 0.850 nan 8.230 nan 0.000 0.461 2297 N N -0.238 118.509 118.700 0.078 0.000 2.249 2297 N HA 0.644 5.380 4.740 -0.006 0.000 0.296 2297 N C -0.801 174.721 175.510 0.020 0.000 1.051 2297 N CA -0.704 52.381 53.050 0.059 0.000 0.815 2297 N CB 1.771 40.304 38.487 0.077 0.000 1.487 2297 N HN 0.949 nan 8.380 nan 0.000 0.475 2298 I N 1.613 122.183 120.570 0.000 0.000 4.338 2298 I HA 0.438 4.604 4.170 -0.006 0.000 0.329 2298 I C 0.911 176.994 176.117 -0.056 0.000 1.378 2298 I CA -0.246 61.029 61.300 -0.041 0.000 1.170 2298 I CB 0.114 38.104 38.000 -0.017 0.000 1.206 2298 I HN 0.670 nan 8.210 nan 0.000 0.432 2299 G N 0.006 108.794 108.800 -0.019 0.000 2.722 2299 G HA2 -0.044 3.912 3.960 -0.006 0.000 0.201 2299 G HA3 -0.044 3.912 3.960 -0.006 0.000 0.201 2299 G C -0.376 174.539 174.900 0.024 0.000 1.926 2299 G CA 0.040 45.145 45.100 0.008 0.000 0.872 2299 G HN 0.347 nan 8.290 nan 0.000 0.581 2300 H N -0.342 118.720 119.070 -0.013 0.000 2.646 2300 H HA 0.386 4.938 4.556 -0.007 0.000 0.325 2300 H C -0.665 174.713 175.328 0.082 0.000 1.075 2300 H CA -1.644 54.420 56.048 0.026 0.000 1.421 2300 H CB 0.215 30.014 29.762 0.062 0.000 1.461 2300 H HN -0.005 nan 8.280 nan 0.000 0.525 2301 F N 4.730 124.426 119.950 -0.424 0.000 2.569 2301 F HA -0.051 4.473 4.527 -0.006 0.000 0.395 2301 F C 1.150 176.796 175.800 -0.258 0.000 1.028 2301 F CA 1.150 58.974 58.000 -0.292 0.000 1.158 2301 F CB -0.281 38.569 39.000 -0.250 0.000 1.023 2301 F HN 0.928 nan 8.300 nan 0.000 0.547 2302 D N 1.678 122.206 120.400 0.213 0.000 3.027 2302 D HA -0.269 4.368 4.640 -0.006 0.000 0.224 2302 D C 0.705 177.061 176.300 0.093 0.000 1.193 2302 D CA 1.433 55.507 54.000 0.123 0.000 0.858 2302 D CB -1.717 39.131 40.800 0.080 0.000 1.104 2302 D HN 0.443 nan 8.370 nan 0.000 0.406 2303 V N -3.702 116.277 119.914 0.109 0.000 3.660 2303 V HA 0.198 4.314 4.120 -0.006 0.000 0.276 2303 V C 1.914 178.094 176.094 0.143 0.000 1.317 2303 V CA 0.855 63.248 62.300 0.154 0.000 1.097 2303 V CB -0.015 31.969 31.823 0.268 0.000 0.863 2303 V HN 0.241 nan 8.190 nan 0.000 0.438 2304 E N 1.242 121.521 120.200 0.131 0.000 2.170 2304 E HA 0.221 4.567 4.350 -0.006 0.000 0.191 2304 E C 0.435 177.076 176.600 0.068 0.000 0.981 2304 E CA 0.619 57.077 56.400 0.097 0.000 0.830 2304 E CB 0.317 30.072 29.700 0.092 0.000 0.775 2304 E HN 0.600 nan 8.360 nan 0.000 0.470 2305 I N 1.752 122.374 120.570 0.086 0.000 2.498 2305 I HA 0.089 4.256 4.170 -0.006 0.000 0.301 2305 I C 0.054 176.247 176.117 0.127 0.000 0.984 2305 I CA -0.696 60.659 61.300 0.092 0.000 1.204 2305 I CB 1.352 39.439 38.000 0.145 0.000 1.362 2305 I HN -0.216 nan 8.210 nan 0.000 0.471 2306 D N 5.064 125.555 120.400 0.152 0.000 2.517 2306 D HA 0.148 4.784 4.640 -0.006 0.000 0.220 2306 D C 0.832 177.308 176.300 0.292 0.000 1.158 2306 D CA -0.049 54.070 54.000 0.199 0.000 0.992 2306 D CB 0.812 41.702 40.800 0.151 0.000 1.058 2306 D HN 0.247 nan 8.370 nan 0.000 0.516 2307 V N 3.322 123.346 119.914 0.182 0.000 2.379 2307 V HA -0.153 3.963 4.120 -0.006 0.000 0.245 2307 V C 2.538 178.687 176.094 0.092 0.000 1.044 2307 V CA 0.806 63.166 62.300 0.100 0.000 1.036 2307 V CB -0.351 31.526 31.823 0.089 0.000 0.664 2307 V HN 0.335 nan 8.190 nan 0.000 0.453 2308 K N -0.353 120.121 120.400 0.123 0.000 2.059 2308 K HA -0.272 4.045 4.320 -0.006 0.000 0.212 2308 K C 1.862 178.531 176.600 0.116 0.000 1.050 2308 K CA 2.066 58.414 56.287 0.103 0.000 0.927 2308 K CB -0.791 31.770 32.500 0.102 0.000 0.714 2308 K HN 0.670 nan 8.250 nan 0.000 0.447 2309 W N 0.973 122.269 121.300 -0.006 0.000 2.335 2309 W HA -0.176 4.480 4.660 -0.006 0.000 0.311 2309 W C 1.901 178.350 176.519 -0.116 0.000 1.213 2309 W CA 1.500 58.836 57.345 -0.016 0.000 1.274 2309 W CB -0.317 29.181 29.460 0.063 0.000 1.148 2309 W HN 0.051 nan 8.180 nan 0.000 0.498 2310 L N 0.803 122.112 121.223 0.143 0.000 2.042 2310 L HA -0.308 4.029 4.340 -0.006 0.000 0.210 2310 L C 2.283 179.000 176.870 -0.255 0.000 1.076 2310 L CA 1.546 56.189 54.840 -0.329 0.000 0.749 2310 L CB -0.873 40.580 42.059 -1.010 0.000 0.893 2310 L HN 0.064 nan 8.230 nan 0.000 0.432 2311 N N -0.112 118.550 118.700 -0.063 0.000 2.188 2311 N HA -0.164 4.572 4.740 -0.006 0.000 0.184 2311 N C 1.589 177.072 175.510 -0.045 0.000 1.018 2311 N CA 1.215 54.314 53.050 0.081 0.000 0.858 2311 N CB -0.069 38.469 38.487 0.085 0.000 0.989 2311 N HN 0.448 nan 8.380 nan 0.000 0.426 2312 E N -0.152 119.961 120.200 -0.146 0.000 2.442 2312 E HA 0.122 4.468 4.350 -0.006 0.000 0.195 2312 E C 0.626 177.014 176.600 -0.353 0.000 1.030 2312 E CA 0.266 56.543 56.400 -0.204 0.000 0.869 2312 E CB 0.168 29.763 29.700 -0.174 0.000 0.857 2312 E HN 0.417 nan 8.360 nan 0.000 0.505 2313 N N 0.183 118.542 118.700 -0.568 0.000 2.193 2313 N HA 0.124 4.860 4.740 -0.006 0.000 0.210 2313 N C 0.152 175.398 175.510 -0.440 0.000 1.215 2313 N CA -0.045 52.586 53.050 -0.698 0.000 0.901 2313 N CB 1.018 38.593 38.487 -1.519 0.000 1.060 2313 N HN -0.064 nan 8.380 nan 0.000 0.508 2314 A N 0.876 123.532 122.820 -0.274 0.000 2.386 2314 A HA 0.284 4.600 4.320 -0.006 0.000 0.248 2314 A C 1.402 178.956 177.584 -0.050 0.000 1.082 2314 A CA -0.189 51.803 52.037 -0.075 0.000 0.789 2314 A CB 0.707 19.795 19.000 0.148 0.000 1.025 2314 A HN -0.046 nan 8.150 nan 0.000 0.490 2315 V N 0.865 120.768 119.914 -0.019 0.000 2.878 2315 V HA 0.053 4.169 4.120 -0.006 0.000 0.250 2315 V C 0.791 176.875 176.094 -0.016 0.000 1.075 2315 V CA 1.592 63.879 62.300 -0.022 0.000 1.096 2315 V CB -0.807 31.010 31.823 -0.010 0.000 0.724 2315 V HN 0.884 nan 8.190 nan 0.000 0.467 2316 E N -0.591 119.607 120.200 -0.004 0.000 2.433 2316 E HA 0.589 4.935 4.350 -0.006 0.000 0.278 2316 E C -0.941 175.621 176.600 -0.063 0.000 0.976 2316 E CA -0.834 55.547 56.400 -0.031 0.000 0.793 2316 E CB 2.812 32.496 29.700 -0.027 0.000 1.311 2316 E HN 0.118 nan 8.360 nan 0.000 0.460 2317 K N 0.939 121.252 120.400 -0.145 0.000 2.616 2317 K HA 0.403 4.719 4.320 -0.006 0.000 0.255 2317 K C -2.011 174.432 176.600 -0.260 0.000 0.995 2317 K CA -0.629 55.453 56.287 -0.341 0.000 0.860 2317 K CB 1.937 34.181 32.500 -0.427 0.000 1.264 2317 K HN 0.332 nan 8.250 nan 0.000 0.451 2318 V N 2.727 122.488 119.914 -0.255 0.000 2.577 2318 V HA 0.502 4.618 4.120 -0.006 0.000 0.303 2318 V C -1.202 174.797 176.094 -0.159 0.000 1.042 2318 V CA -0.744 61.458 62.300 -0.162 0.000 0.872 2318 V CB 1.708 33.472 31.823 -0.099 0.000 0.998 2318 V HN 0.927 nan 8.190 nan 0.000 0.423 2319 N N 4.496 123.121 118.700 -0.125 0.000 2.405 2319 N HA 0.149 4.885 4.740 -0.006 0.000 0.260 2319 N C 0.531 176.004 175.510 -0.062 0.000 1.152 2319 N CA -0.183 52.811 53.050 -0.094 0.000 0.948 2319 N CB 1.385 39.828 38.487 -0.074 0.000 1.111 2319 N HN 0.773 nan 8.380 nan 0.000 0.485 2320 I N 3.550 124.091 120.570 -0.049 0.000 2.353 2320 I HA -0.076 4.091 4.170 -0.006 0.000 0.248 2320 I C 0.946 177.051 176.117 -0.021 0.000 1.119 2320 I CA 1.317 62.599 61.300 -0.030 0.000 1.417 2320 I CB -0.208 37.781 38.000 -0.019 0.000 1.078 2320 I HN 0.697 nan 8.210 nan 0.000 0.421 2321 K N -0.928 119.461 120.400 -0.019 0.000 2.711 2321 K HA 0.314 4.630 4.320 -0.006 0.000 0.294 2321 K C -3.112 173.482 176.600 -0.010 0.000 1.037 2321 K CA -1.444 54.836 56.287 -0.012 0.000 0.858 2321 K CB 0.822 33.319 32.500 -0.005 0.000 1.521 2321 K HN -0.396 nan 8.250 nan 0.000 0.386 2322 P HA -0.035 nan 4.420 nan 0.000 0.260 2322 P C -0.753 176.548 177.300 0.001 0.000 1.185 2322 P CA 0.775 63.871 63.100 -0.006 0.000 0.763 2322 P CB 0.212 31.910 31.700 -0.003 0.000 0.776 2323 Q N -0.812 118.989 119.800 0.001 0.000 2.493 2323 Q HA -0.124 4.212 4.340 -0.006 0.000 0.260 2323 Q C -0.695 175.320 176.000 0.025 0.000 0.905 2323 Q CA 0.771 56.583 55.803 0.016 0.000 1.140 2323 Q CB -2.596 26.155 28.738 0.021 0.000 1.435 2323 Q HN 0.345 nan 8.270 nan 0.000 0.581 2324 V N 1.398 121.320 119.914 0.014 0.000 2.509 2324 V HA 0.397 4.513 4.120 -0.006 0.000 0.289 2324 V C -0.358 175.734 176.094 -0.003 0.000 1.026 2324 V CA -0.704 61.607 62.300 0.018 0.000 0.872 2324 V CB 2.106 33.935 31.823 0.011 0.000 1.017 2324 V HN 0.036 nan 8.190 nan 0.000 0.436 2325 D N 3.434 123.839 120.400 0.009 0.000 2.342 2325 D HA 0.526 5.162 4.640 -0.006 0.000 0.243 2325 D C -0.420 175.858 176.300 -0.036 0.000 1.019 2325 D CA -0.631 53.325 54.000 -0.074 0.000 0.864 2325 D CB 2.914 43.633 40.800 -0.135 0.000 1.315 2325 D HN 0.355 nan 8.370 nan 0.000 0.468 2326 R N 2.315 122.737 120.500 -0.130 0.000 2.467 2326 R HA 0.239 4.575 4.340 -0.006 0.000 0.299 2326 R C -1.183 175.073 176.300 -0.074 0.000 1.120 2326 R CA -0.542 55.547 56.100 -0.019 0.000 0.940 2326 R CB 0.402 30.695 30.300 -0.011 0.000 1.161 2326 R HN 0.319 nan 8.270 nan 0.000 0.506 2327 Y N 2.631 122.912 120.300 -0.032 0.000 2.301 2327 Y HA 0.275 4.821 4.550 -0.007 0.000 0.328 2327 Y C 0.184 176.075 175.900 -0.016 0.000 1.242 2327 Y CA -0.681 57.395 58.100 -0.040 0.000 1.323 2327 Y CB 0.875 39.288 38.460 -0.077 0.000 1.266 2327 Y HN 0.366 nan 8.280 nan 0.000 0.527 2328 L N 3.887 125.196 121.223 0.143 0.000 2.305 2328 L HA 0.509 4.845 4.340 -0.006 0.000 0.284 2328 L C -1.225 175.702 176.870 0.095 0.000 1.013 2328 L CA -0.770 54.129 54.840 0.099 0.000 0.819 2328 L CB 0.445 42.536 42.059 0.053 0.000 1.227 2328 L HN 0.551 nan 8.230 nan 0.000 0.417 2329 L N 4.524 125.813 121.223 0.111 0.000 2.416 2329 L HA 0.403 4.739 4.340 -0.006 0.000 0.262 2329 L C 1.332 178.240 176.870 0.063 0.000 1.093 2329 L CA -0.698 54.202 54.840 0.099 0.000 0.801 2329 L CB 0.917 43.076 42.059 0.166 0.000 1.191 2329 L HN 0.658 nan 8.230 nan 0.000 0.459 2330 K N 0.822 121.246 120.400 0.040 0.000 2.280 2330 K HA -0.153 4.163 4.320 -0.006 0.000 0.202 2330 K C 1.384 177.996 176.600 0.019 0.000 1.047 2330 K CA 1.326 57.625 56.287 0.019 0.000 0.942 2330 K CB -0.173 32.331 32.500 0.006 0.000 0.739 2330 K HN 0.599 nan 8.250 nan 0.000 0.457 2331 N N -0.010 118.704 118.700 0.024 0.000 2.515 2331 N HA -0.053 4.683 4.740 -0.006 0.000 0.185 2331 N C 1.054 176.530 175.510 -0.056 0.000 1.109 2331 N CA 1.197 54.226 53.050 -0.035 0.000 0.903 2331 N CB 0.258 38.698 38.487 -0.078 0.000 0.969 2331 N HN 0.231 nan 8.380 nan 0.000 0.450 2332 G N -1.377 107.436 108.800 0.022 0.000 2.176 2332 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.232 2332 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.232 2332 G C -0.362 174.652 174.900 0.191 0.000 0.986 2332 G CA 0.063 45.205 45.100 0.070 0.000 0.643 2332 G HN 0.633 nan 8.290 nan 0.000 0.522 2333 H N 0.219 119.326 119.070 0.062 0.000 2.481 2333 H HA 0.622 5.174 4.556 -0.006 0.000 0.339 2333 H C 0.362 175.734 175.328 0.074 0.000 1.131 2333 H CA -0.779 55.310 56.048 0.068 0.000 1.301 2333 H CB 0.842 30.652 29.762 0.079 0.000 1.476 2333 H HN 0.117 nan 8.280 nan 0.000 0.529 2334 R N 1.681 122.271 120.500 0.151 0.000 2.540 2334 R HA 0.383 4.719 4.340 -0.006 0.000 0.287 2334 R C -0.780 175.584 176.300 0.106 0.000 0.980 2334 R CA -0.565 55.603 56.100 0.113 0.000 0.966 2334 R CB 0.952 31.294 30.300 0.071 0.000 1.106 2334 R HN 0.452 nan 8.270 nan 0.000 0.480 2335 I N 3.629 124.273 120.570 0.124 0.000 2.439 2335 I HA 0.340 4.506 4.170 -0.006 0.000 0.285 2335 I C -0.281 175.925 176.117 0.149 0.000 1.021 2335 I CA -0.591 60.774 61.300 0.107 0.000 1.091 2335 I CB 1.496 39.500 38.000 0.008 0.000 1.242 2335 I HN 0.539 nan 8.210 nan 0.000 0.439 2336 I N 6.375 127.020 120.570 0.126 0.000 2.325 2336 I HA 0.285 4.451 4.170 -0.006 0.000 0.291 2336 I C -0.043 176.160 176.117 0.143 0.000 1.019 2336 I CA -0.235 61.140 61.300 0.126 0.000 1.302 2336 I CB 1.297 39.349 38.000 0.087 0.000 1.401 2336 I HN 0.304 nan 8.210 nan 0.000 0.485 2337 L N 7.484 128.814 121.223 0.178 0.000 2.325 2337 L HA 0.588 4.925 4.340 -0.006 0.000 0.278 2337 L C -0.861 176.089 176.870 0.133 0.000 1.023 2337 L CA -0.791 54.151 54.840 0.170 0.000 0.811 2337 L CB 1.715 43.922 42.059 0.247 0.000 1.249 2337 L HN 0.511 nan 8.230 nan 0.000 0.431 2338 L N 4.387 125.678 121.223 0.114 0.000 2.341 2338 L HA 0.458 4.795 4.340 -0.006 0.000 0.278 2338 L C 0.861 177.783 176.870 0.087 0.000 1.005 2338 L CA -0.538 54.355 54.840 0.087 0.000 0.818 2338 L CB 1.655 43.759 42.059 0.074 0.000 1.259 2338 L HN 0.895 nan 8.230 nan 0.000 0.418 2339 A N 2.399 125.262 122.820 0.072 0.000 2.826 2339 A HA -0.241 4.076 4.320 -0.006 0.000 0.274 2339 A C 0.841 178.473 177.584 0.080 0.000 1.443 2339 A CA 1.305 53.385 52.037 0.071 0.000 0.833 2339 A CB -1.923 17.128 19.000 0.086 0.000 1.023 2339 A HN 0.995 nan 8.150 nan 0.000 0.600 2340 E N -3.622 116.630 120.200 0.086 0.000 2.539 2340 E HA -0.244 4.102 4.350 -0.006 0.000 0.253 2340 E C 1.304 177.964 176.600 0.100 0.000 1.145 2340 E CA 1.220 57.676 56.400 0.094 0.000 0.738 2340 E CB -2.035 27.700 29.700 0.057 0.000 1.308 2340 E HN 2.501 nan 8.360 nan 0.000 0.409 2341 G N -0.260 108.609 108.800 0.115 0.000 2.179 2341 G HA2 -0.383 3.573 3.960 -0.006 0.000 0.260 2341 G HA3 -0.383 3.573 3.960 -0.006 0.000 0.260 2341 G C 0.436 175.425 174.900 0.148 0.000 0.977 2341 G CA 0.708 45.882 45.100 0.123 0.000 0.641 2341 G HN 0.319 nan 8.290 nan 0.000 0.533 2342 R N -0.478 120.130 120.500 0.179 0.000 2.531 2342 R HA 0.628 4.964 4.340 -0.006 0.000 0.260 2342 R C 1.001 177.448 176.300 0.245 0.000 1.144 2342 R CA -0.863 55.453 56.100 0.361 0.000 1.171 2342 R CB 0.350 30.866 30.300 0.361 0.000 1.199 2342 R HN 0.201 nan 8.270 nan 0.000 0.594 2343 L N 1.523 122.829 121.223 0.138 0.000 2.628 2343 L HA -0.115 4.221 4.340 -0.006 0.000 0.274 2343 L C 1.628 178.496 176.870 -0.004 0.000 1.209 2343 L CA 0.065 54.822 54.840 -0.139 0.000 0.930 2343 L CB 0.272 42.014 42.059 -0.527 0.000 1.183 2343 L HN 0.538 nan 8.230 nan 0.000 0.492 2344 V N 4.731 124.641 119.914 -0.006 0.000 2.453 2344 V HA -0.200 3.916 4.120 -0.006 0.000 0.247 2344 V C 2.212 178.306 176.094 -0.001 0.000 1.048 2344 V CA 2.024 64.334 62.300 0.017 0.000 1.049 2344 V CB -0.361 31.478 31.823 0.027 0.000 0.672 2344 V HN 1.094 nan 8.190 nan 0.000 0.457 2345 N N 0.548 119.229 118.700 -0.032 0.000 2.244 2345 N HA -0.146 4.590 4.740 -0.006 0.000 0.183 2345 N C 1.629 177.107 175.510 -0.054 0.000 1.016 2345 N CA 1.983 55.010 53.050 -0.037 0.000 0.866 2345 N CB -0.551 37.905 38.487 -0.052 0.000 0.980 2345 N HN 0.524 nan 8.380 nan 0.000 0.430 2346 L N -0.507 120.673 121.223 -0.072 0.000 2.253 2346 L HA 0.269 4.605 4.340 -0.006 0.000 0.205 2346 L C 2.548 179.431 176.870 0.020 0.000 1.078 2346 L CA 0.890 55.704 54.840 -0.043 0.000 0.805 2346 L CB -0.418 41.608 42.059 -0.054 0.000 0.963 2346 L HN 0.252 nan 8.230 nan 0.000 0.459 2347 G N -1.483 107.343 108.800 0.044 0.000 2.551 2347 G HA2 -0.110 3.847 3.960 -0.006 0.000 0.216 2347 G HA3 -0.110 3.847 3.960 -0.006 0.000 0.216 2347 G C 1.162 176.084 174.900 0.036 0.000 1.137 2347 G CA 0.600 45.735 45.100 0.058 0.000 0.798 2347 G HN 0.422 nan 8.290 nan 0.000 0.536 2348 C N -0.301 119.016 119.300 0.028 0.000 3.491 2348 C HA 0.782 5.238 4.460 -0.006 0.000 0.298 2348 C C 1.168 176.172 174.990 0.022 0.000 1.424 2348 C CA -0.102 58.931 59.018 0.025 0.000 1.772 2348 C CB -0.581 27.175 27.740 0.025 0.000 2.447 2348 C HN 0.578 nan 8.230 nan 0.000 0.670 2349 A N -0.013 122.819 122.820 0.020 0.000 2.566 2349 A HA 0.773 5.090 4.320 -0.006 0.000 0.291 2349 A C 0.115 177.712 177.584 0.022 0.000 1.278 2349 A CA -0.175 51.876 52.037 0.024 0.000 0.711 2349 A CB 0.345 19.360 19.000 0.025 0.000 1.332 2349 A HN 0.004 nan 8.150 nan 0.000 0.478 2350 M N 0.811 120.429 119.600 0.029 0.000 2.505 2350 M HA 0.267 4.743 4.480 -0.006 0.000 0.230 2350 M C 1.039 177.344 176.300 0.008 0.000 1.153 2350 M CA 1.014 56.332 55.300 0.030 0.000 0.997 2350 M CB -1.174 31.455 32.600 0.049 0.000 1.606 2350 M HN 1.529 nan 8.290 nan 0.000 0.481 2351 G N 0.594 109.379 108.800 -0.026 0.000 2.642 2351 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.231 2351 G HA3 -0.201 3.755 3.960 -0.006 0.000 0.231 2351 G C -0.504 174.380 174.900 -0.028 0.000 1.338 2351 G CA -0.629 44.402 45.100 -0.115 0.000 0.883 2351 G HN 0.501 nan 8.290 nan 0.000 0.570 2352 H N 1.379 120.458 119.070 0.016 0.000 2.707 2352 H HA 0.435 4.987 4.556 -0.006 0.000 0.359 2352 H C -1.557 173.798 175.328 0.045 0.000 1.113 2352 H CA -0.623 55.446 56.048 0.035 0.000 1.422 2352 H CB -0.017 29.761 29.762 0.025 0.000 1.443 2352 H HN 0.375 nan 8.280 nan 0.000 0.591 2353 P HA 0.067 nan 4.420 nan 0.000 0.272 2353 P C 0.768 178.151 177.300 0.138 0.000 1.223 2353 P CA -0.188 63.004 63.100 0.154 0.000 0.784 2353 P CB 0.754 32.547 31.700 0.154 0.000 0.923 2354 S N 0.522 116.290 115.700 0.114 0.000 2.387 2354 S HA -0.216 4.250 4.470 -0.006 0.000 0.230 2354 S C 1.518 176.159 174.600 0.068 0.000 1.035 2354 S CA 1.242 59.488 58.200 0.077 0.000 1.014 2354 S CB -1.045 62.204 63.200 0.082 0.000 0.836 2354 S HN 0.512 nan 8.310 nan 0.000 0.466 2355 F N 1.839 121.776 119.950 -0.021 0.000 2.161 2355 F HA -0.184 4.341 4.527 -0.004 0.000 0.300 2355 F C 2.378 178.065 175.800 -0.188 0.000 1.089 2355 F CA 1.460 59.425 58.000 -0.057 0.000 1.282 2355 F CB -0.264 38.732 39.000 -0.006 0.000 1.010 2355 F HN 0.133 nan 8.300 nan 0.000 0.485 2356 V N -0.598 119.343 119.914 0.045 0.000 2.427 2356 V HA -0.258 3.858 4.120 -0.006 0.000 0.248 2356 V C 2.132 178.067 176.094 -0.265 0.000 1.051 2356 V CA 1.832 64.097 62.300 -0.058 0.000 1.048 2356 V CB -0.450 31.438 31.823 0.109 0.000 0.666 2356 V HN 0.357 nan 8.190 nan 0.000 0.456 2357 M N 1.042 120.482 119.600 -0.266 0.000 2.117 2357 M HA -0.078 4.398 4.480 -0.006 0.000 0.262 2357 M C 2.579 178.512 176.300 -0.611 0.000 1.065 2357 M CA 2.225 57.175 55.300 -0.583 0.000 1.114 2357 M CB -1.103 31.209 32.600 -0.479 0.000 1.361 2357 M HN 0.586 nan 8.290 nan 0.000 0.408 2358 S N -0.258 115.232 115.700 -0.351 0.000 2.387 2358 S HA -0.199 4.267 4.470 -0.006 0.000 0.230 2358 S C 1.748 176.252 174.600 -0.159 0.000 1.035 2358 S CA 2.131 60.210 58.200 -0.202 0.000 1.014 2358 S CB -0.341 62.723 63.200 -0.227 0.000 0.836 2358 S HN 0.609 nan 8.310 nan 0.000 0.466 2359 N N 0.290 118.720 118.700 -0.450 0.000 2.207 2359 N HA 0.061 4.797 4.740 -0.006 0.000 0.182 2359 N C 1.997 177.374 175.510 -0.222 0.000 1.020 2359 N CA 1.393 54.131 53.050 -0.519 0.000 0.858 2359 N CB -0.207 37.707 38.487 -0.954 0.000 0.991 2359 N HN 0.267 nan 8.380 nan 0.000 0.427 2360 S N 0.244 115.808 115.700 -0.228 0.000 2.348 2360 S HA -0.071 4.395 4.470 -0.006 0.000 0.221 2360 S C 1.451 176.123 174.600 0.119 0.000 1.033 2360 S CA 0.956 59.106 58.200 -0.082 0.000 1.010 2360 S CB -0.376 62.721 63.200 -0.172 0.000 0.891 2360 S HN 0.230 nan 8.310 nan 0.000 0.442 2361 F N 2.147 122.099 119.950 0.003 0.000 2.146 2361 F HA -0.044 4.479 4.527 -0.006 0.000 0.298 2361 F C 2.835 178.640 175.800 0.009 0.000 1.096 2361 F CA 0.662 58.672 58.000 0.017 0.000 1.275 2361 F CB -1.932 37.071 39.000 0.005 0.000 1.008 2361 F HN 0.140 nan 8.300 nan 0.000 0.480 2362 T N 0.134 114.798 114.554 0.184 0.000 2.849 2362 T HA -0.193 4.153 4.350 -0.006 0.000 0.270 2362 T C 1.927 176.682 174.700 0.093 0.000 1.066 2362 T CA 1.246 63.414 62.100 0.114 0.000 1.130 2362 T CB -0.330 68.602 68.868 0.107 0.000 0.864 2362 T HN 0.265 nan 8.240 nan 0.000 0.481 2363 N N 0.569 119.324 118.700 0.092 0.000 2.188 2363 N HA -0.078 4.658 4.740 -0.006 0.000 0.184 2363 N C 2.094 177.652 175.510 0.079 0.000 1.018 2363 N CA 0.850 53.945 53.050 0.075 0.000 0.858 2363 N CB -0.070 38.459 38.487 0.071 0.000 0.989 2363 N HN 0.388 nan 8.380 nan 0.000 0.426 2364 Q N 0.843 120.713 119.800 0.115 0.000 2.020 2364 Q HA -0.077 4.259 4.340 -0.006 0.000 0.202 2364 Q C 2.361 178.393 176.000 0.052 0.000 0.982 2364 Q CA 0.889 56.747 55.803 0.092 0.000 0.838 2364 Q CB -0.710 28.103 28.738 0.125 0.000 0.899 2364 Q HN 0.198 nan 8.270 nan 0.000 0.423 2365 V N 1.215 121.160 119.914 0.052 0.000 2.287 2365 V HA -0.298 3.818 4.120 -0.006 0.000 0.248 2365 V C 2.463 178.551 176.094 -0.011 0.000 1.053 2365 V CA 1.627 63.934 62.300 0.012 0.000 1.027 2365 V CB -0.577 31.255 31.823 0.015 0.000 0.646 2365 V HN 0.345 nan 8.190 nan 0.000 0.447 2366 M N -0.292 119.312 119.600 0.008 0.000 2.108 2366 M HA -0.189 4.287 4.480 -0.006 0.000 0.261 2366 M C 2.380 178.679 176.300 -0.003 0.000 1.066 2366 M CA 2.388 57.688 55.300 -0.001 0.000 1.107 2366 M CB -1.433 31.185 32.600 0.031 0.000 1.356 2366 M HN 0.443 nan 8.290 nan 0.000 0.406 2367 A N -0.226 122.596 122.820 0.002 0.000 1.855 2367 A HA -0.175 4.142 4.320 -0.006 0.000 0.215 2367 A C 2.084 179.660 177.584 -0.013 0.000 1.191 2367 A CA 1.230 53.255 52.037 -0.021 0.000 0.613 2367 A CB -0.597 18.390 19.000 -0.022 0.000 0.829 2367 A HN 0.473 nan 8.150 nan 0.000 0.442 2368 Q N -0.012 119.789 119.800 0.000 0.000 2.077 2368 Q HA -0.175 4.162 4.340 -0.006 0.000 0.206 2368 Q C 2.182 178.224 176.000 0.070 0.000 0.989 2368 Q CA 1.691 57.504 55.803 0.016 0.000 0.853 2368 Q CB -0.621 28.108 28.738 -0.014 0.000 0.907 2368 Q HN 0.779 nan 8.270 nan 0.000 0.418 2369 I N 0.702 121.287 120.570 0.025 0.000 2.264 2369 I HA -0.246 3.920 4.170 -0.006 0.000 0.248 2369 I C 2.431 178.625 176.117 0.128 0.000 1.111 2369 I CA 1.139 62.462 61.300 0.038 0.000 1.382 2369 I CB -0.300 37.620 38.000 -0.134 0.000 1.060 2369 I HN 0.247 nan 8.210 nan 0.000 0.418 2370 E N 0.925 121.196 120.200 0.118 0.000 2.033 2370 E HA -0.118 4.228 4.350 -0.006 0.000 0.189 2370 E C 2.418 179.187 176.600 0.282 0.000 0.979 2370 E CA 0.933 57.469 56.400 0.226 0.000 0.802 2370 E CB -0.041 29.706 29.700 0.079 0.000 0.763 2370 E HN 0.434 nan 8.360 nan 0.000 0.449 2371 L N 0.447 121.732 121.223 0.105 0.000 1.955 2371 L HA -0.219 4.118 4.340 -0.006 0.000 0.213 2371 L C 2.647 179.629 176.870 0.187 0.000 1.072 2371 L CA 1.641 56.531 54.840 0.084 0.000 0.755 2371 L CB -0.777 41.282 42.059 -0.000 0.000 0.888 2371 L HN 0.419 nan 8.230 nan 0.000 0.432 2372 W N 0.864 122.166 121.300 0.004 0.000 2.318 2372 W HA -0.269 4.387 4.660 -0.007 0.000 0.313 2372 W C 2.099 178.604 176.519 -0.023 0.000 1.221 2372 W CA 2.128 59.463 57.345 -0.017 0.000 1.266 2372 W CB -0.312 29.123 29.460 -0.042 0.000 1.150 2372 W HN 0.135 nan 8.180 nan 0.000 0.496 2373 T N -0.305 114.201 114.554 -0.079 0.000 3.035 2373 T HA -0.139 4.207 4.350 -0.006 0.000 0.268 2373 T C -0.601 173.799 174.700 -0.501 0.000 1.109 2373 T CA 1.042 62.943 62.100 -0.332 0.000 1.119 2373 T CB -0.317 68.426 68.868 -0.208 0.000 0.900 2373 T HN 0.104 nan 8.240 nan 0.000 0.503 2374 H N 0.080 119.109 119.070 -0.068 0.000 2.530 2374 H HA 0.290 4.842 4.556 -0.007 0.000 0.246 2374 H C -1.976 173.332 175.328 -0.033 0.000 1.346 2374 H CA -2.000 54.027 56.048 -0.035 0.000 1.424 2374 H CB 1.089 30.883 29.762 0.054 0.000 1.445 2374 H HN 0.043 nan 8.280 nan 0.000 0.511 2375 P HA -0.169 nan 4.420 nan 0.000 0.215 2375 P C 0.384 177.678 177.300 -0.009 0.000 1.157 2375 P CA 1.372 64.427 63.100 -0.074 0.000 0.874 2375 P CB 0.435 32.039 31.700 -0.161 0.000 0.790 2376 D N -1.627 118.764 120.400 -0.015 0.000 2.463 2376 D HA 0.051 4.687 4.640 -0.006 0.000 0.224 2376 D C 1.323 177.599 176.300 -0.039 0.000 1.174 2376 D CA 0.013 54.003 54.000 -0.017 0.000 0.829 2376 D CB 0.360 41.142 40.800 -0.031 0.000 0.993 2376 D HN 0.243 nan 8.370 nan 0.000 0.497 2377 K N -0.009 120.368 120.400 -0.039 0.000 2.211 2377 K HA -0.016 4.300 4.320 -0.006 0.000 0.201 2377 K C -0.199 176.117 176.600 -0.473 0.000 1.052 2377 K CA 0.581 56.721 56.287 -0.246 0.000 0.973 2377 K CB 0.394 32.715 32.500 -0.297 0.000 0.766 2377 K HN -0.039 nan 8.250 nan 0.000 0.466 2378 Y N 2.211 122.434 120.300 -0.129 0.000 2.334 2378 Y HA 0.333 4.879 4.550 -0.007 0.000 0.336 2378 Y C -2.191 173.668 175.900 -0.067 0.000 0.960 2378 Y CA -2.996 54.957 58.100 -0.245 0.000 1.164 2378 Y CB 1.141 39.359 38.460 -0.404 0.000 1.155 2378 Y HN 0.098 nan 8.280 nan 0.000 0.478 2379 P HA 0.079 nan 4.420 nan 0.000 0.274 2379 P C -0.484 176.989 177.300 0.288 0.000 1.237 2379 P CA -0.354 62.858 63.100 0.186 0.000 0.793 2379 P CB 1.158 32.953 31.700 0.159 0.000 0.977 2380 V N 0.769 120.783 119.914 0.167 0.000 2.539 2380 V HA 0.380 4.496 4.120 -0.006 0.000 0.300 2380 V C 1.186 177.342 176.094 0.102 0.000 1.019 2380 V CA 1.232 63.611 62.300 0.131 0.000 1.160 2380 V CB -1.142 30.728 31.823 0.078 0.000 0.901 2380 V HN 1.096 nan 8.190 nan 0.000 0.481 2381 G N 2.879 111.712 108.800 0.054 0.000 2.358 2381 G HA2 0.330 4.286 3.960 -0.006 0.000 0.303 2381 G HA3 0.330 4.286 3.960 -0.006 0.000 0.303 2381 G C -1.184 173.517 174.900 -0.331 0.000 1.537 2381 G CA -0.252 44.750 45.100 -0.162 0.000 0.928 2381 G HN 1.256 nan 8.290 nan 0.000 0.656 2382 V N 2.680 122.339 119.914 -0.425 0.000 2.372 2382 V HA 0.546 4.662 4.120 -0.006 0.000 0.261 2382 V C 0.171 175.943 176.094 -0.537 0.000 1.055 2382 V CA -0.400 61.605 62.300 -0.492 0.000 0.930 2382 V CB -0.611 30.713 31.823 -0.832 0.000 1.031 2382 V HN 0.745 nan 8.190 nan 0.000 0.479 2383 H N 5.259 124.212 119.070 -0.195 0.000 2.559 2383 H HA 0.450 5.002 4.556 -0.007 0.000 0.343 2383 H C -0.903 174.328 175.328 -0.161 0.000 1.209 2383 H CA -0.368 55.620 56.048 -0.100 0.000 1.287 2383 H CB 1.516 31.326 29.762 0.080 0.000 1.650 2383 H HN 0.588 nan 8.280 nan 0.000 0.567 2384 F N 0.504 120.576 119.950 0.204 0.000 2.399 2384 F HA 0.120 4.643 4.527 -0.006 0.000 0.328 2384 F C 0.322 176.185 175.800 0.106 0.000 1.084 2384 F CA -0.866 57.214 58.000 0.133 0.000 1.053 2384 F CB 0.800 39.883 39.000 0.138 0.000 1.209 2384 F HN 0.229 nan 8.300 nan 0.000 0.502 2385 L N 6.378 127.772 121.223 0.285 0.000 2.477 2385 L HA 0.308 4.644 4.340 -0.006 0.000 0.272 2385 L C -2.105 174.857 176.870 0.154 0.000 1.157 2385 L CA -1.649 53.283 54.840 0.152 0.000 0.889 2385 L CB -0.435 41.689 42.059 0.108 0.000 1.158 2385 L HN 0.277 nan 8.230 nan 0.000 0.473 2386 P HA -0.109 nan 4.420 nan 0.000 0.261 2386 P C 0.177 177.520 177.300 0.072 0.000 1.165 2386 P CA 0.176 63.340 63.100 0.107 0.000 0.759 2386 P CB 0.464 32.213 31.700 0.081 0.000 0.772 2387 K N 4.911 125.346 120.400 0.059 0.000 2.089 2387 K HA -0.244 4.072 4.320 -0.006 0.000 0.210 2387 K C 1.875 178.488 176.600 0.022 0.000 1.048 2387 K CA 2.161 58.476 56.287 0.046 0.000 0.926 2387 K CB -0.333 32.192 32.500 0.042 0.000 0.714 2387 K HN 0.253 nan 8.250 nan 0.000 0.448 2388 K N 0.040 120.436 120.400 -0.007 0.000 2.209 2388 K HA -0.066 4.250 4.320 -0.006 0.000 0.204 2388 K C 1.796 178.405 176.600 0.016 0.000 1.048 2388 K CA 1.263 57.532 56.287 -0.030 0.000 0.940 2388 K CB 0.001 32.470 32.500 -0.053 0.000 0.729 2388 K HN 0.217 nan 8.250 nan 0.000 0.451 2389 L N 0.146 121.389 121.223 0.033 0.000 2.131 2389 L HA -0.103 4.234 4.340 -0.006 0.000 0.206 2389 L C 2.151 179.051 176.870 0.051 0.000 1.087 2389 L CA 0.861 55.730 54.840 0.049 0.000 0.767 2389 L CB -0.467 41.621 42.059 0.048 0.000 0.917 2389 L HN 0.271 nan 8.230 nan 0.000 0.441 2390 D N 0.681 121.108 120.400 0.044 0.000 2.117 2390 D HA -0.195 4.442 4.640 -0.006 0.000 0.198 2390 D C 1.977 178.293 176.300 0.026 0.000 0.982 2390 D CA 1.302 55.320 54.000 0.030 0.000 0.828 2390 D CB 0.213 41.026 40.800 0.021 0.000 0.967 2390 D HN 0.276 nan 8.370 nan 0.000 0.464 2391 E N -0.173 120.051 120.200 0.041 0.000 2.153 2391 E HA -0.116 4.231 4.350 -0.006 0.000 0.194 2391 E C 2.059 178.712 176.600 0.089 0.000 0.988 2391 E CA 0.869 57.312 56.400 0.072 0.000 0.811 2391 E CB -0.054 29.703 29.700 0.094 0.000 0.746 2391 E HN 0.307 nan 8.360 nan 0.000 0.466 2392 A N 0.995 123.864 122.820 0.080 0.000 1.877 2392 A HA -0.151 4.165 4.320 -0.006 0.000 0.216 2392 A C 2.451 180.099 177.584 0.106 0.000 1.186 2392 A CA 1.483 53.578 52.037 0.097 0.000 0.620 2392 A CB -0.868 18.192 19.000 0.099 0.000 0.822 2392 A HN 0.265 nan 8.150 nan 0.000 0.443 2393 V N -0.883 119.085 119.914 0.090 0.000 2.594 2393 V HA -0.054 4.062 4.120 -0.006 0.000 0.253 2393 V C 2.395 178.567 176.094 0.131 0.000 1.069 2393 V CA 2.163 64.526 62.300 0.107 0.000 1.082 2393 V CB -0.851 31.005 31.823 0.054 0.000 0.680 2393 V HN 0.563 nan 8.190 nan 0.000 0.469 2394 A N 0.124 122.989 122.820 0.075 0.000 1.873 2394 A HA -0.207 4.109 4.320 -0.006 0.000 0.215 2394 A C 2.245 179.920 177.584 0.151 0.000 1.186 2394 A CA 1.771 53.851 52.037 0.071 0.000 0.616 2394 A CB -0.699 18.338 19.000 0.062 0.000 0.823 2394 A HN 0.729 nan 8.150 nan 0.000 0.442 2395 E N -0.107 120.176 120.200 0.138 0.000 2.204 2395 E HA -0.054 4.292 4.350 -0.006 0.000 0.194 2395 E C 1.881 178.550 176.600 0.115 0.000 0.989 2395 E CA 0.836 57.311 56.400 0.126 0.000 0.824 2395 E CB -0.225 29.543 29.700 0.113 0.000 0.756 2395 E HN 0.545 nan 8.360 nan 0.000 0.477 2396 A N -0.189 122.707 122.820 0.127 0.000 2.067 2396 A HA -0.152 4.164 4.320 -0.006 0.000 0.219 2396 A C 1.300 178.822 177.584 -0.104 0.000 1.158 2396 A CA 1.489 53.532 52.037 0.009 0.000 0.661 2396 A CB -0.545 18.435 19.000 -0.033 0.000 0.801 2396 A HN 0.336 nan 8.150 nan 0.000 0.452 2397 H N -1.642 117.417 119.070 -0.019 0.000 2.582 2397 H HA 0.286 4.837 4.556 -0.008 0.000 0.269 2397 H C -0.081 175.325 175.328 0.129 0.000 0.962 2397 H CA -0.275 55.790 56.048 0.029 0.000 1.230 2397 H CB -0.045 29.671 29.762 -0.077 0.000 1.445 2397 H HN 0.278 nan 8.280 nan 0.000 0.528 2398 L N 0.504 121.847 121.223 0.201 0.000 2.490 2398 L HA 0.242 4.578 4.340 -0.006 0.000 0.274 2398 L C 1.559 178.486 176.870 0.096 0.000 1.201 2398 L CA 1.504 56.427 54.840 0.139 0.000 0.869 2398 L CB 0.318 42.439 42.059 0.104 0.000 1.123 2398 L HN 0.621 nan 8.230 nan 0.000 0.484 2399 G N 2.254 111.099 108.800 0.076 0.000 2.953 2399 G HA2 -0.242 3.714 3.960 -0.006 0.000 0.201 2399 G HA3 -0.242 3.714 3.960 -0.006 0.000 0.201 2399 G C 1.260 176.188 174.900 0.048 0.000 1.501 2399 G CA 0.207 45.336 45.100 0.047 0.000 1.094 2399 G HN 0.530 nan 8.290 nan 0.000 0.555 2400 K N 0.861 121.306 120.400 0.074 0.000 2.057 2400 K HA 0.167 4.483 4.320 -0.006 0.000 0.207 2400 K C 2.542 179.171 176.600 0.049 0.000 1.049 2400 K CA 1.588 57.920 56.287 0.075 0.000 0.931 2400 K CB -0.277 32.316 32.500 0.155 0.000 0.714 2400 K HN 0.490 nan 8.250 nan 0.000 0.440 2401 L N 0.822 122.093 121.223 0.080 0.000 2.465 2401 L HA -0.074 4.262 4.340 -0.006 0.000 0.224 2401 L C 0.330 177.208 176.870 0.014 0.000 1.145 2401 L CA 0.153 55.007 54.840 0.024 0.000 0.834 2401 L CB -0.434 41.670 42.059 0.076 0.000 0.944 2401 L HN 0.309 nan 8.230 nan 0.000 0.451 2402 N N 0.014 118.731 118.700 0.027 0.000 2.738 2402 N HA -0.159 4.577 4.740 -0.006 0.000 0.249 2402 N C -0.772 174.748 175.510 0.016 0.000 1.047 2402 N CA 0.273 53.332 53.050 0.016 0.000 0.707 2402 N CB -1.112 37.376 38.487 0.002 0.000 0.937 2402 N HN -0.027 nan 8.380 nan 0.000 0.545 2403 V N 0.991 120.923 119.914 0.030 0.000 2.481 2403 V HA 0.268 4.384 4.120 -0.006 0.000 0.286 2403 V C 0.715 176.823 176.094 0.024 0.000 1.042 2403 V CA -0.492 61.825 62.300 0.028 0.000 0.928 2403 V CB 1.801 33.651 31.823 0.045 0.000 0.986 2403 V HN 0.011 nan 8.190 nan 0.000 0.462 2404 K N 4.680 125.089 120.400 0.014 0.000 2.347 2404 K HA 0.374 4.690 4.320 -0.006 0.000 0.262 2404 K C -0.869 175.734 176.600 0.005 0.000 1.052 2404 K CA -0.731 55.562 56.287 0.009 0.000 0.946 2404 K CB 1.364 33.866 32.500 0.003 0.000 1.220 2404 K HN 0.379 nan 8.250 nan 0.000 0.450 2405 L N 3.029 124.257 121.223 0.008 0.000 2.380 2405 L HA 0.126 4.462 4.340 -0.006 0.000 0.273 2405 L C 0.586 177.445 176.870 -0.018 0.000 1.138 2405 L CA 0.418 55.255 54.840 -0.006 0.000 0.832 2405 L CB 1.128 43.191 42.059 0.007 0.000 1.124 2405 L HN 0.592 nan 8.230 nan 0.000 0.454 2406 T N 2.493 117.023 114.554 -0.040 0.000 2.922 2406 T HA 0.398 4.745 4.350 -0.006 0.000 0.285 2406 T C -0.074 174.591 174.700 -0.058 0.000 1.005 2406 T CA -0.819 61.257 62.100 -0.041 0.000 1.061 2406 T CB 0.824 69.665 68.868 -0.044 0.000 1.007 2406 T HN 0.501 nan 8.240 nan 0.000 0.502 2407 K N 2.460 122.840 120.400 -0.034 0.000 2.206 2407 K HA 0.365 4.682 4.320 -0.006 0.000 0.264 2407 K C -0.551 176.037 176.600 -0.021 0.000 0.967 2407 K CA -0.871 55.402 56.287 -0.022 0.000 0.844 2407 K CB 1.504 34.011 32.500 0.012 0.000 1.099 2407 K HN 0.497 nan 8.250 nan 0.000 0.441 2408 L N 2.948 124.158 121.223 -0.022 0.000 2.490 2408 L HA 0.000 4.337 4.340 -0.006 0.000 0.274 2408 L C 0.865 177.751 176.870 0.027 0.000 1.201 2408 L CA 0.740 55.581 54.840 0.001 0.000 0.869 2408 L CB 0.364 42.443 42.059 0.034 0.000 1.123 2408 L HN 0.701 nan 8.230 nan 0.000 0.484 2409 T N 0.100 114.666 114.554 0.021 0.000 2.849 2409 T HA 0.171 4.517 4.350 -0.006 0.000 0.284 2409 T C 0.997 175.720 174.700 0.038 0.000 1.004 2409 T CA -0.408 61.706 62.100 0.023 0.000 1.021 2409 T CB 0.868 69.742 68.868 0.011 0.000 1.013 2409 T HN 0.567 nan 8.240 nan 0.000 0.527 2410 E N 0.782 121.004 120.200 0.036 0.000 2.118 2410 E HA -0.178 4.168 4.350 -0.006 0.000 0.195 2410 E C 1.977 178.606 176.600 0.049 0.000 0.992 2410 E CA 1.656 58.081 56.400 0.043 0.000 0.804 2410 E CB -0.281 29.439 29.700 0.033 0.000 0.741 2410 E HN 0.774 nan 8.360 nan 0.000 0.458 2411 K N -0.185 120.239 120.400 0.040 0.000 1.985 2411 K HA -0.201 4.115 4.320 -0.006 0.000 0.210 2411 K C 2.317 178.965 176.600 0.080 0.000 1.047 2411 K CA 1.825 58.140 56.287 0.046 0.000 0.932 2411 K CB -0.119 32.391 32.500 0.017 0.000 0.716 2411 K HN 0.196 nan 8.250 nan 0.000 0.439 2412 Q N -0.209 119.629 119.800 0.064 0.000 2.124 2412 Q HA -0.144 4.193 4.340 -0.006 0.000 0.202 2412 Q C 2.090 178.179 176.000 0.149 0.000 0.977 2412 Q CA 1.463 57.327 55.803 0.103 0.000 0.850 2412 Q CB -0.175 28.593 28.738 0.050 0.000 0.901 2412 Q HN 0.408 nan 8.270 nan 0.000 0.429 2413 A N 1.212 124.095 122.820 0.107 0.000 1.883 2413 A HA -0.242 4.074 4.320 -0.006 0.000 0.217 2413 A C 2.075 179.718 177.584 0.098 0.000 1.186 2413 A CA 1.386 53.487 52.037 0.107 0.000 0.624 2413 A CB -0.434 18.623 19.000 0.095 0.000 0.822 2413 A HN 0.301 nan 8.150 nan 0.000 0.444 2414 Q N -1.939 117.918 119.800 0.096 0.000 2.119 2414 Q HA -0.198 4.139 4.340 -0.006 0.000 0.201 2414 Q C 2.019 178.075 176.000 0.094 0.000 0.972 2414 Q CA 1.715 57.566 55.803 0.080 0.000 0.847 2414 Q CB -0.419 28.364 28.738 0.075 0.000 0.903 2414 Q HN 0.845 nan 8.270 nan 0.000 0.433 2415 Y N 1.508 121.817 120.300 0.016 0.000 2.114 2415 Y HA -0.178 4.368 4.550 -0.006 0.000 0.284 2415 Y C 1.952 177.861 175.900 0.014 0.000 1.143 2415 Y CA 1.356 59.463 58.100 0.012 0.000 1.135 2415 Y CB -0.318 38.147 38.460 0.009 0.000 0.980 2415 Y HN -0.015 nan 8.280 nan 0.000 0.499 2416 L N -0.029 121.218 121.223 0.040 0.000 2.551 2416 L HA 0.057 4.394 4.340 -0.006 0.000 0.228 2416 L C 1.441 178.282 176.870 -0.048 0.000 1.153 2416 L CA 0.723 55.543 54.840 -0.035 0.000 0.851 2416 L CB -1.046 41.059 42.059 0.076 0.000 0.959 2416 L HN 0.542 nan 8.230 nan 0.000 0.451 2417 G N 1.738 110.521 108.800 -0.028 0.000 2.350 2417 G HA2 -0.298 3.658 3.960 -0.006 0.000 0.298 2417 G HA3 -0.298 3.658 3.960 -0.006 0.000 0.298 2417 G C -0.043 174.859 174.900 0.002 0.000 1.037 2417 G CA 0.802 45.890 45.100 -0.021 0.000 1.074 2417 G HN 0.428 nan 8.290 nan 0.000 0.511 2418 M N -1.699 117.921 119.600 0.034 0.000 2.578 2418 M HA 0.747 5.223 4.480 -0.006 0.000 0.276 2418 M C -3.071 173.268 176.300 0.065 0.000 1.245 2418 M CA -2.329 52.997 55.300 0.044 0.000 0.871 2418 M CB 1.921 34.569 32.600 0.080 0.000 1.722 2418 M HN -0.086 nan 8.290 nan 0.000 0.473 2419 P HA 0.312 nan 4.420 nan 0.000 0.275 2419 P C 0.622 177.999 177.300 0.128 0.000 1.228 2419 P CA -0.389 62.731 63.100 0.035 0.000 0.786 2419 P CB 0.636 32.315 31.700 -0.036 0.000 0.927 2420 I N 0.683 121.335 120.570 0.137 0.000 2.454 2420 I HA -0.223 3.943 4.170 -0.006 0.000 0.254 2420 I C 1.023 177.329 176.117 0.316 0.000 1.156 2420 I CA 1.490 62.916 61.300 0.210 0.000 1.433 2420 I CB -0.455 37.619 38.000 0.123 0.000 1.082 2420 I HN 0.406 nan 8.210 nan 0.000 0.432 2421 N N 0.114 118.903 118.700 0.148 0.000 2.360 2421 N HA 0.089 4.825 4.740 -0.006 0.000 0.211 2421 N C 1.102 176.452 175.510 -0.267 0.000 1.147 2421 N CA 0.284 53.388 53.050 0.089 0.000 0.866 2421 N CB 0.003 38.529 38.487 0.064 0.000 1.206 2421 N HN 0.176 nan 8.380 nan 0.000 0.478 2422 G N 3.074 111.723 108.800 -0.252 0.000 2.771 2422 G HA2 0.090 4.046 3.960 -0.006 0.000 0.242 2422 G HA3 0.090 4.046 3.960 -0.006 0.000 0.242 2422 G C -2.331 172.159 174.900 -0.683 0.000 1.233 2422 G CA -0.380 44.527 45.100 -0.322 0.000 0.858 2422 G HN -0.000 nan 8.290 nan 0.000 0.591 2423 P HA -0.016 nan 4.420 nan 0.000 0.265 2423 P C -0.276 176.717 177.300 -0.512 0.000 1.187 2423 P CA 0.300 63.121 63.100 -0.466 0.000 0.766 2423 P CB 0.329 31.916 31.700 -0.189 0.000 0.820 2424 F N 1.109 121.049 119.950 -0.017 0.000 2.727 2424 F HA 0.232 4.757 4.527 -0.003 0.000 0.302 2424 F C 1.305 177.017 175.800 -0.147 0.000 1.097 2424 F CA 0.556 58.521 58.000 -0.058 0.000 1.330 2424 F CB 0.097 39.075 39.000 -0.037 0.000 1.084 2424 F HN 0.079 nan 8.300 nan 0.000 0.578 2425 K N -0.046 120.325 120.400 -0.049 0.000 2.536 2425 K HA 0.448 4.764 4.320 -0.006 0.000 0.269 2425 K C -2.982 173.516 176.600 -0.171 0.000 0.965 2425 K CA -1.781 54.364 56.287 -0.237 0.000 0.860 2425 K CB 1.739 33.933 32.500 -0.511 0.000 1.423 2425 K HN -0.298 nan 8.250 nan 0.000 0.438 2426 P HA 0.173 nan 4.420 nan 0.000 0.276 2426 P C -0.011 177.159 177.300 -0.216 0.000 1.252 2426 P CA -0.284 62.671 63.100 -0.243 0.000 0.802 2426 P CB 0.550 31.981 31.700 -0.448 0.000 1.035 2427 D N -0.337 119.999 120.400 -0.108 0.000 2.144 2427 D HA -0.177 4.459 4.640 -0.006 0.000 0.199 2427 D C 1.591 177.865 176.300 -0.044 0.000 0.984 2427 D CA 1.444 55.420 54.000 -0.040 0.000 0.834 2427 D CB -0.542 40.265 40.800 0.011 0.000 0.955 2427 D HN 0.640 nan 8.370 nan 0.000 0.465 2428 H N -1.136 117.949 119.070 0.025 0.000 2.559 2428 H HA -0.095 4.457 4.556 -0.006 0.000 0.273 2428 H C 0.261 175.589 175.328 -0.000 0.000 1.000 2428 H CA -0.102 55.948 56.048 0.003 0.000 1.195 2428 H CB -0.767 28.996 29.762 0.003 0.000 1.368 2428 H HN 0.117 nan 8.280 nan 0.000 0.592 2429 Y N 3.237 123.287 120.300 -0.417 0.000 2.632 2429 Y HA 0.092 4.638 4.550 -0.007 0.000 0.329 2429 Y C 0.039 175.764 175.900 -0.291 0.000 1.174 2429 Y CA -0.268 57.606 58.100 -0.377 0.000 1.469 2429 Y CB 0.409 38.542 38.460 -0.545 0.000 1.242 2429 Y HN 0.130 nan 8.280 nan 0.000 0.540 2430 R N 6.269 126.346 120.500 -0.705 0.000 2.275 2430 R HA 0.251 4.587 4.340 -0.006 0.000 0.326 2430 R C -1.070 174.838 176.300 -0.653 0.000 0.973 2430 R CA -0.738 55.116 56.100 -0.411 0.000 0.854 2430 R CB 0.552 30.716 30.300 -0.228 0.000 1.156 2430 R HN 0.531 nan 8.270 nan 0.000 0.487 2431 Y N 0.000 120.121 120.300 -0.298 0.000 2.660 2431 Y HA 0.000 4.546 4.550 -0.007 0.000 0.201 2431 Y CA 0.000 58.026 58.100 -0.123 0.000 1.940 2431 Y CB 0.000 38.529 38.460 0.116 0.000 1.050 2431 Y HN 0.000 nan 8.280 nan 0.000 0.758