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 2iph_1_B DATA FIRST_RESID 2004 DATA SEQUENCE TLWSRVTKFG SGWGFWVSPT VFITTTHVIP TSAKEFFGEP LTSIAIHRAG DATA SEQUENCE EFTLFRFSKK IRPDLTGMIL EEGCPEGTVC SVLIKRDSGE LLPLAVRMGA DATA SEQUENCE IASMRIQGRL VHGQSGMLLT GANAKGMDLG TIPGDCGAPY VYKRANDWVV DATA SEQUENCE CGVHAAATKS GNTVVCAVQA SEGETTL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2004 T C 0.000 174.650 174.700 -0.083 0.000 1.109 2004 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 2004 T CB 0.000 68.839 68.868 -0.048 0.000 0.612 2005 L N 0.048 121.138 121.223 -0.222 0.000 2.042 2005 L HA -0.021 4.319 4.340 0.000 0.000 0.210 2005 L C 2.025 178.794 176.870 -0.168 0.000 1.076 2005 L CA 2.091 56.747 54.840 -0.305 0.000 0.749 2005 L CB -0.455 41.215 42.059 -0.649 0.000 0.893 2005 L HN 0.432 nan 8.230 nan 0.000 0.432 2006 W N -0.879 120.404 121.300 -0.029 0.000 2.350 2006 W HA -0.215 4.445 4.660 0.000 0.000 0.289 2006 W C 2.981 179.522 176.519 0.036 0.000 1.215 2006 W CA 1.124 58.473 57.345 0.006 0.000 1.236 2006 W CB -0.498 28.947 29.460 -0.025 0.000 1.130 2006 W HN 0.035 nan 8.180 nan 0.000 0.541 2007 S N 0.494 116.315 115.700 0.203 0.000 2.442 2007 S HA -0.146 4.324 4.470 0.000 0.000 0.236 2007 S C 1.719 176.380 174.600 0.101 0.000 1.007 2007 S CA 1.174 59.448 58.200 0.123 0.000 0.965 2007 S CB -0.154 63.071 63.200 0.041 0.000 0.773 2007 S HN 0.277 nan 8.310 nan 0.000 0.504 2008 R N 0.081 120.613 120.500 0.053 0.000 2.200 2008 R HA 0.159 4.499 4.340 0.000 0.000 0.208 2008 R C 0.115 176.511 176.300 0.160 0.000 1.033 2008 R CA 0.230 56.304 56.100 -0.044 0.000 1.000 2008 R CB 0.113 30.059 30.300 -0.590 0.000 0.906 2008 R HN 0.225 nan 8.270 nan 0.000 0.462 2009 V N 2.391 122.494 119.914 0.315 0.000 2.415 2009 V HA 0.086 4.206 4.120 0.000 0.000 0.267 2009 V C 0.086 176.495 176.094 0.524 0.000 1.042 2009 V CA 0.281 62.846 62.300 0.440 0.000 1.000 2009 V CB 1.014 33.059 31.823 0.368 0.000 1.015 2009 V HN 0.111 nan 8.190 nan 0.000 0.478 2010 T N 5.406 120.329 114.554 0.615 0.000 2.823 2010 T HA 0.329 4.679 4.350 0.000 0.000 0.279 2010 T C -0.033 175.061 174.700 0.657 0.000 0.998 2010 T CA -0.686 61.796 62.100 0.637 0.000 0.994 2010 T CB 1.441 70.675 68.868 0.609 0.000 0.960 2010 T HN 0.679 nan 8.240 nan 0.000 0.448 2011 K N 2.366 123.003 120.400 0.396 0.000 2.412 2011 K HA 0.299 4.619 4.320 0.000 0.000 0.281 2011 K C -1.303 175.343 176.600 0.076 0.000 1.027 2011 K CA -0.073 56.044 56.287 -0.284 0.000 0.989 2011 K CB 0.256 32.530 32.500 -0.376 0.000 0.935 2011 K HN 0.489 nan 8.250 nan 0.000 0.475 2012 F N 4.243 124.030 119.950 -0.272 0.000 2.689 2012 F HA 0.325 4.852 4.527 0.000 0.000 0.332 2012 F C 0.262 175.978 175.800 -0.139 0.000 1.209 2012 F CA 0.568 58.519 58.000 -0.082 0.000 1.028 2012 F CB 1.121 40.221 39.000 0.167 0.000 1.291 2012 F HN 0.862 nan 8.300 nan 0.000 0.500 2013 G N 3.617 112.141 108.800 -0.460 0.000 2.611 2013 G HA2 -0.350 3.611 3.960 0.000 0.000 0.301 2013 G HA3 -0.350 3.611 3.960 0.000 0.000 0.301 2013 G C 0.845 175.597 174.900 -0.246 0.000 1.233 2013 G CA 0.578 45.448 45.100 -0.384 0.000 0.993 2013 G HN 1.629 nan 8.290 nan 0.000 0.553 2014 S N 0.679 116.271 115.700 -0.180 0.000 2.671 2014 S HA 0.554 5.024 4.470 0.000 0.000 0.220 2014 S C 1.077 175.642 174.600 -0.058 0.000 0.951 2014 S CA 0.855 58.993 58.200 -0.103 0.000 0.932 2014 S CB 0.306 63.470 63.200 -0.060 0.000 0.777 2014 S HN 2.079 nan 8.310 nan 0.000 0.508 2015 G N 0.037 108.758 108.800 -0.133 0.000 3.111 2015 G HA2 0.591 4.551 3.960 0.000 0.000 0.158 2015 G HA3 0.591 4.551 3.960 0.000 0.000 0.158 2015 G C -1.797 172.768 174.900 -0.557 0.000 1.161 2015 G CA -0.871 44.169 45.100 -0.099 0.000 1.025 2015 G HN 0.404 nan 8.290 nan 0.000 0.619 2016 W N -1.285 120.161 121.300 0.243 0.000 3.047 2016 W HA 0.729 5.389 4.660 0.001 0.000 0.341 2016 W C 0.168 176.799 176.519 0.186 0.000 1.225 2016 W CA -0.241 57.262 57.345 0.264 0.000 1.150 2016 W CB 1.607 31.191 29.460 0.207 0.000 1.470 2016 W HN 0.842 nan 8.180 nan 0.000 0.578 2017 G N 0.038 109.042 108.800 0.340 0.000 2.694 2017 G HA2 0.714 4.675 3.960 0.000 0.000 0.290 2017 G HA3 0.714 4.675 3.960 0.000 0.000 0.290 2017 G C -2.581 172.175 174.900 -0.241 0.000 1.386 2017 G CA -0.859 44.016 45.100 -0.374 0.000 0.872 2017 G HN 0.381 nan 8.290 nan 0.000 0.475 2018 F N -0.077 119.353 119.950 -0.866 0.000 2.539 2018 F HA 0.615 5.142 4.527 0.000 0.000 0.318 2018 F C -1.361 174.231 175.800 -0.346 0.000 1.135 2018 F CA -1.566 56.224 58.000 -0.350 0.000 0.915 2018 F CB 1.632 40.516 39.000 -0.194 0.000 1.176 2018 F HN 0.459 nan 8.300 nan 0.000 0.440 2019 W N 6.996 128.009 121.300 -0.479 0.000 2.481 2019 W HA 0.374 5.034 4.660 0.000 0.000 0.320 2019 W C 0.611 176.812 176.519 -0.530 0.000 1.209 2019 W CA -0.503 56.662 57.345 -0.300 0.000 1.400 2019 W CB 1.152 30.466 29.460 -0.243 0.000 1.361 2019 W HN 0.363 nan 8.180 nan 0.000 0.456 2020 V N 2.632 122.565 119.914 0.031 0.000 2.591 2020 V HA -0.102 4.018 4.120 0.000 0.000 0.249 2020 V C 1.078 177.243 176.094 0.117 0.000 1.053 2020 V CA 1.717 64.090 62.300 0.121 0.000 1.068 2020 V CB -0.557 31.398 31.823 0.221 0.000 0.689 2020 V HN 0.582 nan 8.190 nan 0.000 0.462 2021 S N -2.732 113.076 115.700 0.181 0.000 2.727 2021 S HA 0.421 4.891 4.470 0.000 0.000 0.278 2021 S C -2.736 171.949 174.600 0.143 0.000 1.186 2021 S CA -0.742 57.535 58.200 0.128 0.000 0.836 2021 S CB 1.131 64.408 63.200 0.129 0.000 1.186 2021 S HN -0.065 nan 8.310 nan 0.000 0.499 2022 P HA 0.012 nan 4.420 nan 0.000 0.221 2022 P C 1.144 178.431 177.300 -0.021 0.000 1.145 2022 P CA 1.952 64.982 63.100 -0.117 0.000 0.795 2022 P CB -0.153 31.485 31.700 -0.105 0.000 0.775 2023 T N -6.313 108.360 114.554 0.198 0.000 3.003 2023 T HA 0.223 4.573 4.350 0.000 0.000 0.261 2023 T C 0.329 175.372 174.700 0.572 0.000 1.003 2023 T CA -0.107 62.214 62.100 0.367 0.000 0.917 2023 T CB -0.245 68.781 68.868 0.264 0.000 1.084 2023 T HN -0.244 nan 8.240 nan 0.000 0.522 2024 V N 2.354 122.568 119.914 0.500 0.000 2.409 2024 V HA 0.656 4.777 4.120 0.000 0.000 0.291 2024 V C -1.296 174.997 176.094 0.331 0.000 1.020 2024 V CA -1.072 61.470 62.300 0.404 0.000 0.848 2024 V CB 1.285 33.268 31.823 0.267 0.000 0.990 2024 V HN 0.456 nan 8.190 nan 0.000 0.430 2025 F N 7.016 126.931 119.950 -0.058 0.000 2.493 2025 F HA 0.787 5.314 4.527 0.000 0.000 0.329 2025 F C -0.275 175.406 175.800 -0.198 0.000 1.126 2025 F CA -1.032 56.643 58.000 -0.541 0.000 0.937 2025 F CB 1.398 39.690 39.000 -1.180 0.000 1.146 2025 F HN 0.523 nan 8.300 nan 0.000 0.442 2026 I N 2.565 122.717 120.570 -0.697 0.000 2.693 2026 I HA 0.880 5.050 4.170 0.000 0.000 0.303 2026 I C -0.676 174.959 176.117 -0.804 0.000 1.025 2026 I CA -0.469 60.491 61.300 -0.567 0.000 1.086 2026 I CB 2.143 39.935 38.000 -0.346 0.000 1.268 2026 I HN 0.623 nan 8.210 nan 0.000 0.440 2027 T N 1.578 115.768 114.554 -0.607 0.000 2.693 2027 T HA 0.365 4.716 4.350 0.000 0.000 0.304 2027 T C -1.033 173.502 174.700 -0.274 0.000 1.471 2027 T CA -0.344 61.537 62.100 -0.366 0.000 0.993 2027 T CB 1.828 70.592 68.868 -0.173 0.000 1.554 2027 T HN 0.784 nan 8.240 nan 0.000 0.496 2028 T N 2.387 116.906 114.554 -0.059 0.000 2.743 2028 T HA 0.305 4.656 4.350 0.000 0.000 0.293 2028 T C 1.504 176.246 174.700 0.069 0.000 0.945 2028 T CA -0.138 61.960 62.100 -0.004 0.000 1.030 2028 T CB 1.027 69.941 68.868 0.078 0.000 0.912 2028 T HN 0.720 nan 8.240 nan 0.000 0.483 2029 T N 2.247 116.827 114.554 0.044 0.000 2.649 2029 T HA -0.282 4.069 4.350 0.000 0.000 0.268 2029 T C 1.774 176.535 174.700 0.103 0.000 1.036 2029 T CA 2.037 64.179 62.100 0.070 0.000 1.157 2029 T CB -0.547 68.351 68.868 0.050 0.000 0.861 2029 T HN 0.825 nan 8.240 nan 0.000 0.445 2030 H N 1.201 120.298 119.070 0.045 0.000 2.390 2030 H HA -0.063 4.493 4.556 0.000 0.000 0.298 2030 H C 2.070 177.427 175.328 0.049 0.000 1.106 2030 H CA 1.789 57.863 56.048 0.043 0.000 1.297 2030 H CB -0.360 29.423 29.762 0.035 0.000 1.375 2030 H HN 0.325 nan 8.280 nan 0.000 0.509 2031 V N -0.971 118.920 119.914 -0.039 0.000 3.306 2031 V HA 0.130 4.250 4.120 0.000 0.000 0.264 2031 V C 1.144 177.172 176.094 -0.110 0.000 1.149 2031 V CA 0.230 62.476 62.300 -0.090 0.000 1.143 2031 V CB -0.780 31.094 31.823 0.085 0.000 0.767 2031 V HN 0.218 nan 8.190 nan 0.000 0.476 2032 I N 2.494 123.055 120.570 -0.014 0.000 2.752 2032 I HA 0.132 4.302 4.170 0.000 0.000 0.289 2032 I C -1.854 174.190 176.117 -0.121 0.000 1.197 2032 I CA -1.154 60.135 61.300 -0.019 0.000 1.432 2032 I CB -0.002 38.125 38.000 0.212 0.000 1.359 2032 I HN 0.176 nan 8.210 nan 0.000 0.571 2033 P HA -0.007 nan 4.420 nan 0.000 0.262 2033 P C -0.300 176.970 177.300 -0.049 0.000 1.182 2033 P CA -0.084 62.906 63.100 -0.183 0.000 0.761 2033 P CB 0.241 31.781 31.700 -0.267 0.000 0.795 2034 T N -0.548 113.965 114.554 -0.069 0.000 2.913 2034 T HA 0.282 4.632 4.350 0.000 0.000 0.297 2034 T C 0.382 175.060 174.700 -0.038 0.000 1.029 2034 T CA -0.034 62.047 62.100 -0.031 0.000 1.104 2034 T CB -0.096 68.747 68.868 -0.042 0.000 0.964 2034 T HN 0.567 nan 8.240 nan 0.000 0.532 2035 S N -0.563 115.131 115.700 -0.010 0.000 3.559 2035 S HA -0.131 4.339 4.470 0.000 0.000 0.369 2035 S C 0.267 174.822 174.600 -0.075 0.000 0.987 2035 S CA -0.132 58.053 58.200 -0.025 0.000 1.187 2035 S CB -2.586 60.595 63.200 -0.032 0.000 0.914 2035 S HN 1.884 nan 8.310 nan 0.000 0.480 2036 A N 0.710 123.467 122.820 -0.105 0.000 2.328 2036 A HA 0.607 4.927 4.320 0.000 0.000 0.284 2036 A C 1.066 178.486 177.584 -0.274 0.000 1.160 2036 A CA -0.501 51.356 52.037 -0.301 0.000 0.818 2036 A CB 0.560 19.165 19.000 -0.659 0.000 1.087 2036 A HN 0.575 nan 8.150 nan 0.000 0.504 2037 K N 0.707 120.959 120.400 -0.248 0.000 2.365 2037 K HA 0.041 4.361 4.320 0.000 0.000 0.197 2037 K C 0.347 176.849 176.600 -0.163 0.000 1.042 2037 K CA 1.259 57.458 56.287 -0.147 0.000 0.987 2037 K CB 0.202 32.643 32.500 -0.099 0.000 0.779 2037 K HN 0.934 nan 8.250 nan 0.000 0.484 2038 E N -0.651 119.342 120.200 -0.344 0.000 2.429 2038 E HA 0.336 4.686 4.350 0.000 0.000 0.280 2038 E C -1.403 174.857 176.600 -0.568 0.000 1.068 2038 E CA -0.936 55.318 56.400 -0.243 0.000 0.837 2038 E CB 1.005 30.664 29.700 -0.069 0.000 1.357 2038 E HN -0.166 nan 8.360 nan 0.000 0.455 2039 F N 0.374 120.414 119.950 0.150 0.000 2.562 2039 F HA 0.439 4.966 4.527 0.000 0.000 0.319 2039 F C -0.608 175.293 175.800 0.168 0.000 1.154 2039 F CA -0.834 57.205 58.000 0.064 0.000 0.931 2039 F CB 1.313 40.446 39.000 0.222 0.000 1.198 2039 F HN 0.628 nan 8.300 nan 0.000 0.444 2040 F N 1.858 121.940 119.950 0.219 0.000 3.091 2040 F HA -0.189 4.338 4.527 0.000 0.000 0.288 2040 F C 1.412 177.234 175.800 0.036 0.000 0.907 2040 F CA 0.861 58.894 58.000 0.056 0.000 1.028 2040 F CB -1.530 37.416 39.000 -0.091 0.000 1.022 2040 F HN 0.946 nan 8.300 nan 0.000 0.665 2041 G N -1.337 107.546 108.800 0.139 0.000 2.184 2041 G HA2 -0.299 3.661 3.960 0.000 0.000 0.264 2041 G HA3 -0.299 3.661 3.960 0.000 0.000 0.264 2041 G C 0.050 175.034 174.900 0.140 0.000 0.975 2041 G CA 0.362 45.521 45.100 0.099 0.000 0.642 2041 G HN 0.412 nan 8.290 nan 0.000 0.536 2042 E N 1.605 121.955 120.200 0.250 0.000 2.197 2042 E HA 0.396 4.746 4.350 0.000 0.000 0.281 2042 E C -2.221 174.537 176.600 0.264 0.000 0.995 2042 E CA -1.990 54.591 56.400 0.301 0.000 0.808 2042 E CB 1.862 31.876 29.700 0.524 0.000 1.093 2042 E HN 0.276 nan 8.360 nan 0.000 0.394 2043 P HA 0.079 nan 4.420 nan 0.000 0.271 2043 P C 1.046 178.453 177.300 0.179 0.000 1.216 2043 P CA -0.133 63.049 63.100 0.138 0.000 0.776 2043 P CB 1.075 32.833 31.700 0.097 0.000 0.881 2044 L N 2.228 123.549 121.223 0.164 0.000 2.021 2044 L HA -0.239 4.101 4.340 0.000 0.000 0.215 2044 L C 2.629 179.579 176.870 0.133 0.000 1.074 2044 L CA 2.761 57.718 54.840 0.194 0.000 0.760 2044 L CB -1.811 40.345 42.059 0.162 0.000 0.889 2044 L HN 0.477 nan 8.230 nan 0.000 0.433 2045 T N -3.505 111.108 114.554 0.098 0.000 2.946 2045 T HA -0.145 4.205 4.350 0.000 0.000 0.271 2045 T C 1.612 176.358 174.700 0.078 0.000 1.104 2045 T CA 1.237 63.381 62.100 0.073 0.000 1.114 2045 T CB -0.453 68.450 68.868 0.059 0.000 0.867 2045 T HN 0.480 nan 8.240 nan 0.000 0.513 2046 S N 0.125 115.889 115.700 0.107 0.000 2.572 2046 S HA 0.430 4.900 4.470 0.000 0.000 0.228 2046 S C 0.243 174.911 174.600 0.113 0.000 0.963 2046 S CA -0.895 57.375 58.200 0.117 0.000 0.939 2046 S CB -0.520 62.769 63.200 0.150 0.000 0.804 2046 S HN 0.592 nan 8.310 nan 0.000 0.480 2047 I N 1.566 122.178 120.570 0.071 0.000 2.465 2047 I HA 0.588 4.758 4.170 0.000 0.000 0.291 2047 I C -0.225 175.862 176.117 -0.050 0.000 1.014 2047 I CA -1.198 60.075 61.300 -0.044 0.000 1.093 2047 I CB 2.015 39.969 38.000 -0.077 0.000 1.267 2047 I HN 0.147 nan 8.210 nan 0.000 0.431 2048 A N 7.875 130.647 122.820 -0.081 0.000 2.366 2048 A HA 0.633 4.954 4.320 0.000 0.000 0.322 2048 A C -0.308 177.208 177.584 -0.112 0.000 1.397 2048 A CA -0.305 51.695 52.037 -0.061 0.000 0.984 2048 A CB -0.273 18.712 19.000 -0.026 0.000 1.149 2048 A HN 0.657 nan 8.150 nan 0.000 0.540 2049 I N 2.632 123.116 120.570 -0.144 0.000 2.342 2049 I HA 0.170 4.340 4.170 0.000 0.000 0.291 2049 I C 0.325 176.376 176.117 -0.110 0.000 1.010 2049 I CA -0.084 61.058 61.300 -0.263 0.000 1.308 2049 I CB 0.967 38.753 38.000 -0.356 0.000 1.400 2049 I HN 0.739 nan 8.210 nan 0.000 0.488 2050 H N 7.318 126.254 119.070 -0.224 0.000 2.718 2050 H HA 0.358 4.914 4.556 0.000 0.000 0.295 2050 H C -0.592 174.679 175.328 -0.095 0.000 1.051 2050 H CA -0.901 55.083 56.048 -0.107 0.000 1.260 2050 H CB 0.718 30.461 29.762 -0.031 0.000 1.403 2050 H HN 0.529 nan 8.280 nan 0.000 0.488 2051 R N 4.216 124.723 120.500 0.012 0.000 2.215 2051 R HA 0.464 4.804 4.340 0.000 0.000 0.337 2051 R C -1.365 174.909 176.300 -0.043 0.000 1.010 2051 R CA -0.516 55.541 56.100 -0.072 0.000 0.871 2051 R CB 0.583 30.845 30.300 -0.062 0.000 1.134 2051 R HN 0.580 nan 8.270 nan 0.000 0.477 2052 A N 4.179 126.937 122.820 -0.103 0.000 2.654 2052 A HA 0.569 4.889 4.320 0.000 0.000 0.345 2052 A C 0.767 178.360 177.584 0.015 0.000 1.368 2052 A CA 0.073 52.072 52.037 -0.063 0.000 0.895 2052 A CB 0.494 19.390 19.000 -0.174 0.000 1.143 2052 A HN 1.074 nan 8.150 nan 0.000 0.490 2053 G N 1.434 110.246 108.800 0.020 0.000 2.596 2053 G HA2 -0.285 3.676 3.960 0.000 0.000 0.304 2053 G HA3 -0.285 3.676 3.960 0.000 0.000 0.304 2053 G C 0.643 175.577 174.900 0.055 0.000 1.189 2053 G CA 0.483 45.607 45.100 0.040 0.000 0.986 2053 G HN 0.572 nan 8.290 nan 0.000 0.548 2054 E N 0.518 120.764 120.200 0.076 0.000 2.476 2054 E HA 0.275 4.625 4.350 0.000 0.000 0.191 2054 E C 0.065 176.720 176.600 0.090 0.000 1.064 2054 E CA -0.043 56.401 56.400 0.073 0.000 0.866 2054 E CB 0.047 29.778 29.700 0.053 0.000 0.952 2054 E HN 0.286 nan 8.360 nan 0.000 0.492 2055 F N 0.550 120.471 119.950 -0.049 0.000 2.426 2055 F HA 0.290 4.817 4.527 0.000 0.000 0.348 2055 F C -0.353 175.372 175.800 -0.126 0.000 1.124 2055 F CA -0.305 57.649 58.000 -0.077 0.000 1.008 2055 F CB 1.365 40.309 39.000 -0.093 0.000 1.139 2055 F HN -0.367 nan 8.300 nan 0.000 0.452 2056 T N 7.313 121.629 114.554 -0.397 0.000 2.861 2056 T HA 0.479 4.829 4.350 0.000 0.000 0.287 2056 T C -1.390 173.097 174.700 -0.354 0.000 1.003 2056 T CA -0.553 61.376 62.100 -0.284 0.000 0.977 2056 T CB 1.617 70.347 68.868 -0.231 0.000 0.996 2056 T HN 0.635 nan 8.240 nan 0.000 0.448 2057 L N 3.463 124.565 121.223 -0.201 0.000 2.362 2057 L HA 0.755 5.095 4.340 0.000 0.000 0.275 2057 L C -1.692 175.104 176.870 -0.123 0.000 0.998 2057 L CA -0.839 53.981 54.840 -0.033 0.000 0.820 2057 L CB 0.829 43.000 42.059 0.187 0.000 1.270 2057 L HN 0.524 nan 8.230 nan 0.000 0.415 2058 F N 4.125 124.031 119.950 -0.073 0.000 2.444 2058 F HA 0.551 5.078 4.527 0.000 0.000 0.342 2058 F C 0.132 175.862 175.800 -0.118 0.000 1.121 2058 F CA -0.527 57.367 58.000 -0.177 0.000 0.997 2058 F CB 1.464 40.316 39.000 -0.247 0.000 1.130 2058 F HN 0.381 nan 8.300 nan 0.000 0.454 2059 R N 4.103 124.584 120.500 -0.032 0.000 2.337 2059 R HA 0.514 4.854 4.340 0.000 0.000 0.319 2059 R C -1.557 174.731 176.300 -0.020 0.000 0.954 2059 R CA -0.484 55.663 56.100 0.079 0.000 0.840 2059 R CB 0.572 30.923 30.300 0.086 0.000 1.164 2059 R HN 0.469 nan 8.270 nan 0.000 0.472 2060 F N 1.061 121.143 119.950 0.221 0.000 2.370 2060 F HA 0.229 4.757 4.527 0.000 0.000 0.324 2060 F C 1.681 177.563 175.800 0.137 0.000 1.116 2060 F CA -0.191 57.927 58.000 0.198 0.000 1.123 2060 F CB 1.732 40.864 39.000 0.220 0.000 1.238 2060 F HN 0.497 nan 8.300 nan 0.000 0.536 2061 S N -0.255 115.622 115.700 0.296 0.000 2.406 2061 S HA -0.077 4.394 4.470 0.000 0.000 0.228 2061 S C 0.452 175.149 174.600 0.162 0.000 1.020 2061 S CA 0.757 59.067 58.200 0.183 0.000 0.965 2061 S CB -0.335 62.953 63.200 0.146 0.000 0.798 2061 S HN 0.601 nan 8.310 nan 0.000 0.488 2062 K N 0.820 121.331 120.400 0.185 0.000 2.352 2062 K HA 0.462 4.782 4.320 0.000 0.000 0.240 2062 K C -1.390 175.246 176.600 0.060 0.000 1.017 2062 K CA -1.042 55.305 56.287 0.099 0.000 0.851 2062 K CB 1.135 33.673 32.500 0.064 0.000 1.261 2062 K HN -0.229 nan 8.250 nan 0.000 0.451 2063 K N 1.599 121.991 120.400 -0.013 0.000 2.378 2063 K HA 0.113 4.433 4.320 0.000 0.000 0.288 2063 K C 0.519 176.987 176.600 -0.220 0.000 1.057 2063 K CA -0.366 55.863 56.287 -0.096 0.000 0.971 2063 K CB 0.381 32.824 32.500 -0.095 0.000 0.975 2063 K HN 0.458 nan 8.250 nan 0.000 0.475 2064 I N 1.771 122.102 120.570 -0.399 0.000 2.867 2064 I HA -0.041 4.129 4.170 0.000 0.000 0.265 2064 I C 0.789 176.437 176.117 -0.782 0.000 1.162 2064 I CA 0.862 61.778 61.300 -0.641 0.000 1.471 2064 I CB -0.166 37.227 38.000 -1.011 0.000 1.123 2064 I HN 0.455 nan 8.210 nan 0.000 0.440 2065 R N 1.758 121.742 120.500 -0.861 0.000 2.748 2065 R HA 0.258 4.598 4.340 0.000 0.000 0.283 2065 R C -1.829 174.213 176.300 -0.430 0.000 1.507 2065 R CA -1.608 54.033 56.100 -0.765 0.000 1.666 2065 R CB 0.238 29.840 30.300 -1.164 0.000 1.237 2065 R HN 0.107 nan 8.270 nan 0.000 0.633 2066 P HA -0.156 nan 4.420 nan 0.000 0.226 2066 P C 0.419 177.627 177.300 -0.154 0.000 1.146 2066 P CA 1.071 64.059 63.100 -0.186 0.000 0.773 2066 P CB 0.303 31.914 31.700 -0.147 0.000 0.772 2067 D N -0.720 119.571 120.400 -0.183 0.000 2.363 2067 D HA -0.030 4.610 4.640 0.000 0.000 0.220 2067 D C 0.743 176.968 176.300 -0.124 0.000 0.994 2067 D CA 0.221 54.139 54.000 -0.138 0.000 0.890 2067 D CB -0.273 40.442 40.800 -0.142 0.000 0.906 2067 D HN 0.244 nan 8.370 nan 0.000 0.530 2068 L N 1.107 122.240 121.223 -0.150 0.000 2.344 2068 L HA 0.322 4.663 4.340 0.000 0.000 0.272 2068 L C 0.768 177.598 176.870 -0.067 0.000 1.035 2068 L CA -0.841 53.930 54.840 -0.114 0.000 0.807 2068 L CB 1.852 43.822 42.059 -0.148 0.000 1.237 2068 L HN -0.096 nan 8.230 nan 0.000 0.442 2069 T N -1.395 113.137 114.554 -0.036 0.000 2.918 2069 T HA 0.509 4.859 4.350 0.000 0.000 0.283 2069 T C 0.291 175.000 174.700 0.016 0.000 1.001 2069 T CA -0.663 61.435 62.100 -0.005 0.000 1.041 2069 T CB 1.549 70.424 68.868 0.013 0.000 1.028 2069 T HN 0.675 nan 8.240 nan 0.000 0.511 2070 G N 1.534 110.355 108.800 0.035 0.000 2.355 2070 G HA2 0.512 4.472 3.960 0.000 0.000 0.276 2070 G HA3 0.512 4.472 3.960 0.000 0.000 0.276 2070 G C -0.358 174.589 174.900 0.079 0.000 1.198 2070 G CA -0.762 44.374 45.100 0.060 0.000 0.876 2070 G HN 0.745 nan 8.290 nan 0.000 0.478 2071 M N 1.114 120.778 119.600 0.106 0.000 2.573 2071 M HA 0.413 4.893 4.480 0.000 0.000 0.309 2071 M C 0.070 176.445 176.300 0.125 0.000 1.202 2071 M CA -0.612 54.770 55.300 0.136 0.000 0.975 2071 M CB 1.952 34.672 32.600 0.201 0.000 1.600 2071 M HN 0.266 nan 8.290 nan 0.000 0.479 2072 I N 2.276 122.910 120.570 0.106 0.000 2.371 2072 I HA 0.179 4.349 4.170 0.000 0.000 0.290 2072 I C -0.804 175.364 176.117 0.085 0.000 1.028 2072 I CA -0.515 60.829 61.300 0.073 0.000 1.345 2072 I CB 0.820 38.835 38.000 0.025 0.000 1.407 2072 I HN 0.362 nan 8.210 nan 0.000 0.501 2073 L N 8.017 129.295 121.223 0.092 0.000 2.305 2073 L HA 0.527 4.867 4.340 0.000 0.000 0.284 2073 L C -0.632 176.272 176.870 0.057 0.000 1.013 2073 L CA 0.133 55.034 54.840 0.102 0.000 0.819 2073 L CB 1.071 43.218 42.059 0.146 0.000 1.227 2073 L HN 0.557 nan 8.230 nan 0.000 0.417 2074 E N 3.027 123.252 120.200 0.042 0.000 2.359 2074 E HA 0.345 4.695 4.350 0.000 0.000 0.266 2074 E C -1.139 175.448 176.600 -0.021 0.000 0.920 2074 E CA -0.815 55.597 56.400 0.020 0.000 0.788 2074 E CB 1.666 31.395 29.700 0.048 0.000 1.279 2074 E HN 0.533 nan 8.360 nan 0.000 0.438 2075 E N 1.365 121.539 120.200 -0.044 0.000 1.814 2075 E HA 0.321 4.671 4.350 0.000 0.000 0.264 2075 E C 0.313 176.878 176.600 -0.059 0.000 1.179 2075 E CA -0.238 56.108 56.400 -0.091 0.000 0.972 2075 E CB 0.130 29.791 29.700 -0.065 0.000 1.077 2075 E HN 0.746 nan 8.360 nan 0.000 0.417 2076 G N 1.729 110.492 108.800 -0.061 0.000 2.741 2076 G HA2 -0.258 3.703 3.960 0.000 0.000 0.222 2076 G HA3 -0.258 3.703 3.960 0.000 0.000 0.222 2076 G C -0.021 174.894 174.900 0.025 0.000 1.364 2076 G CA -0.547 44.525 45.100 -0.047 0.000 0.866 2076 G HN 0.844 nan 8.290 nan 0.000 0.555 2077 C N -2.526 116.772 119.300 -0.004 0.000 3.236 2077 C HA 0.910 5.370 4.460 0.000 0.000 0.312 2077 C C -2.695 172.254 174.990 -0.069 0.000 1.374 2077 C CA -1.734 57.278 59.018 -0.010 0.000 1.455 2077 C CB 1.037 28.706 27.740 -0.119 0.000 1.834 2077 C HN 0.862 nan 8.230 nan 0.000 0.460 2078 P HA 0.224 nan 4.420 nan 0.000 0.268 2078 P C -0.450 176.792 177.300 -0.097 0.000 1.205 2078 P CA 0.401 63.456 63.100 -0.077 0.000 0.771 2078 P CB 0.374 32.032 31.700 -0.070 0.000 0.858 2079 E N 1.726 121.884 120.200 -0.069 0.000 2.414 2079 E HA 0.219 4.569 4.350 0.000 0.000 0.263 2079 E C 1.066 177.624 176.600 -0.070 0.000 1.000 2079 E CA 0.793 57.155 56.400 -0.064 0.000 0.914 2079 E CB -0.449 29.223 29.700 -0.046 0.000 0.948 2079 E HN 0.717 nan 8.360 nan 0.000 0.444 2080 G N 3.124 111.882 108.800 -0.069 0.000 2.213 2080 G HA2 -0.251 3.709 3.960 0.000 0.000 0.236 2080 G HA3 -0.251 3.709 3.960 0.000 0.000 0.236 2080 G C 0.338 175.182 174.900 -0.095 0.000 0.991 2080 G CA 0.160 45.220 45.100 -0.067 0.000 0.629 2080 G HN 0.647 nan 8.290 nan 0.000 0.517 2081 T N 1.285 115.750 114.554 -0.149 0.000 2.916 2081 T HA 0.420 4.770 4.350 0.000 0.000 0.303 2081 T C 0.512 175.109 174.700 -0.171 0.000 1.025 2081 T CA 0.240 62.198 62.100 -0.236 0.000 1.142 2081 T CB 2.107 70.691 68.868 -0.472 0.000 0.947 2081 T HN 0.473 nan 8.240 nan 0.000 0.544 2082 V N 4.180 124.012 119.914 -0.136 0.000 2.334 2082 V HA 0.217 4.337 4.120 0.000 0.000 0.267 2082 V C 0.520 176.591 176.094 -0.038 0.000 1.040 2082 V CA -0.700 61.562 62.300 -0.064 0.000 0.866 2082 V CB 0.138 31.942 31.823 -0.032 0.000 1.019 2082 V HN 1.056 nan 8.190 nan 0.000 0.468 2083 C N 3.028 122.323 119.300 -0.008 0.000 2.380 2083 C HA 0.713 5.173 4.460 0.000 0.000 0.393 2083 C C 0.757 175.755 174.990 0.014 0.000 1.284 2083 C CA -0.415 58.642 59.018 0.066 0.000 2.033 2083 C CB 1.765 29.582 27.740 0.128 0.000 2.165 2083 C HN 0.773 nan 8.230 nan 0.000 0.540 2084 S N 0.259 115.956 115.700 -0.004 0.000 2.561 2084 S HA 0.507 4.977 4.470 0.000 0.000 0.303 2084 S C -0.899 173.539 174.600 -0.270 0.000 1.110 2084 S CA -0.383 57.755 58.200 -0.103 0.000 1.034 2084 S CB 1.417 64.589 63.200 -0.047 0.000 1.010 2084 S HN 0.456 nan 8.310 nan 0.000 0.482 2085 V N 4.797 124.470 119.914 -0.400 0.000 2.364 2085 V HA 0.302 4.422 4.120 0.000 0.000 0.272 2085 V C -0.127 175.763 176.094 -0.339 0.000 1.036 2085 V CA -0.494 61.461 62.300 -0.574 0.000 0.880 2085 V CB 0.679 32.052 31.823 -0.750 0.000 0.991 2085 V HN 0.738 nan 8.190 nan 0.000 0.460 2086 L N 6.768 127.780 121.223 -0.351 0.000 2.375 2086 L HA 0.431 4.771 4.340 0.000 0.000 0.276 2086 L C -0.134 176.681 176.870 -0.091 0.000 1.162 2086 L CA 0.025 54.651 54.840 -0.357 0.000 0.991 2086 L CB -0.154 41.463 42.059 -0.738 0.000 1.315 2086 L HN 0.510 nan 8.230 nan 0.000 0.431 2087 I N 3.217 123.795 120.570 0.014 0.000 2.379 2087 I HA 0.156 4.326 4.170 0.000 0.000 0.290 2087 I C 0.401 176.457 176.117 -0.101 0.000 1.063 2087 I CA 0.071 61.304 61.300 -0.111 0.000 1.351 2087 I CB 0.780 38.694 38.000 -0.145 0.000 1.410 2087 I HN 0.494 nan 8.210 nan 0.000 0.505 2088 K N 7.088 127.217 120.400 -0.452 0.000 2.182 2088 K HA 0.537 4.857 4.320 0.000 0.000 0.262 2088 K C -0.718 175.424 176.600 -0.764 0.000 0.957 2088 K CA -0.766 55.176 56.287 -0.576 0.000 0.842 2088 K CB 1.155 33.267 32.500 -0.646 0.000 1.099 2088 K HN 0.511 nan 8.250 nan 0.000 0.438 2089 R N 2.447 122.763 120.500 -0.306 0.000 2.778 2089 R HA 0.162 4.503 4.340 0.000 0.000 0.277 2089 R C -0.098 176.308 176.300 0.177 0.000 0.977 2089 R CA -0.754 55.338 56.100 -0.014 0.000 0.950 2089 R CB 1.272 31.564 30.300 -0.014 0.000 1.165 2089 R HN 0.749 nan 8.270 nan 0.000 0.474 2090 D N 0.478 121.069 120.400 0.319 0.000 2.351 2090 D HA -0.108 4.533 4.640 0.000 0.000 0.216 2090 D C 1.397 177.779 176.300 0.137 0.000 0.968 2090 D CA 1.315 55.475 54.000 0.266 0.000 0.899 2090 D CB 0.194 41.121 40.800 0.211 0.000 0.907 2090 D HN 0.500 nan 8.370 nan 0.000 0.514 2091 S N -1.028 114.726 115.700 0.089 0.000 2.481 2091 S HA 0.130 4.601 4.470 0.000 0.000 0.231 2091 S C 1.821 176.431 174.600 0.016 0.000 0.996 2091 S CA 0.815 59.039 58.200 0.040 0.000 0.942 2091 S CB 0.263 63.474 63.200 0.018 0.000 0.768 2091 S HN 0.294 nan 8.310 nan 0.000 0.520 2092 G N 0.486 109.294 108.800 0.014 0.000 2.179 2092 G HA2 -0.209 3.751 3.960 0.000 0.000 0.220 2092 G HA3 -0.209 3.751 3.960 0.000 0.000 0.220 2092 G C -0.301 174.538 174.900 -0.102 0.000 0.990 2092 G CA -0.079 45.006 45.100 -0.025 0.000 0.646 2092 G HN 0.586 nan 8.290 nan 0.000 0.517 2093 E N 0.154 120.288 120.200 -0.110 0.000 2.338 2093 E HA 0.541 4.892 4.350 0.000 0.000 0.272 2093 E C 0.249 176.675 176.600 -0.291 0.000 1.029 2093 E CA -0.183 56.112 56.400 -0.174 0.000 0.872 2093 E CB 0.940 30.568 29.700 -0.121 0.000 1.015 2093 E HN 0.331 nan 8.360 nan 0.000 0.417 2094 L N 4.203 125.154 121.223 -0.452 0.000 2.294 2094 L HA 0.338 4.678 4.340 0.000 0.000 0.283 2094 L C -0.842 175.723 176.870 -0.509 0.000 1.015 2094 L CA -0.821 53.506 54.840 -0.854 0.000 0.831 2094 L CB 0.699 41.810 42.059 -1.581 0.000 1.217 2094 L HN 0.314 nan 8.230 nan 0.000 0.420 2095 L N 7.338 128.447 121.223 -0.191 0.000 2.356 2095 L HA 0.561 4.901 4.340 0.000 0.000 0.264 2095 L C -2.441 174.540 176.870 0.185 0.000 1.029 2095 L CA -1.702 53.136 54.840 -0.004 0.000 0.897 2095 L CB 1.139 43.166 42.059 -0.054 0.000 1.256 2095 L HN 0.224 nan 8.230 nan 0.000 0.444 2096 P HA 0.289 nan 4.420 nan 0.000 0.293 2096 P C -1.237 176.088 177.300 0.043 0.000 1.300 2096 P CA -0.209 63.004 63.100 0.189 0.000 0.792 2096 P CB 1.360 33.224 31.700 0.273 0.000 0.925 2097 L N 2.792 123.990 121.223 -0.042 0.000 2.381 2097 L HA 0.590 4.930 4.340 0.000 0.000 0.274 2097 L C 0.545 177.367 176.870 -0.082 0.000 0.988 2097 L CA -1.110 53.694 54.840 -0.060 0.000 0.824 2097 L CB 2.115 44.123 42.059 -0.086 0.000 1.263 2097 L HN 0.340 nan 8.230 nan 0.000 0.410 2098 A N 3.657 126.452 122.820 -0.041 0.000 2.440 2098 A HA 0.611 4.931 4.320 0.000 0.000 0.251 2098 A C -0.376 177.185 177.584 -0.039 0.000 1.089 2098 A CA -0.147 51.870 52.037 -0.032 0.000 0.779 2098 A CB 0.503 19.499 19.000 -0.007 0.000 1.022 2098 A HN 0.432 nan 8.150 nan 0.000 0.492 2099 V N 3.207 123.101 119.914 -0.034 0.000 2.623 2099 V HA 0.399 4.520 4.120 0.000 0.000 0.304 2099 V C 0.134 176.235 176.094 0.012 0.000 1.054 2099 V CA -0.664 61.634 62.300 -0.003 0.000 0.882 2099 V CB 1.678 33.511 31.823 0.017 0.000 1.002 2099 V HN 0.985 nan 8.190 nan 0.000 0.424 2100 R N 5.315 125.820 120.500 0.009 0.000 2.210 2100 R HA 0.456 4.797 4.340 0.000 0.000 0.338 2100 R C -0.214 176.088 176.300 0.003 0.000 1.062 2100 R CA -0.642 55.455 56.100 -0.006 0.000 0.902 2100 R CB 0.495 30.788 30.300 -0.011 0.000 1.050 2100 R HN 0.581 nan 8.270 nan 0.000 0.461 2101 M N 3.134 122.728 119.600 -0.010 0.000 2.238 2101 M HA 0.177 4.657 4.480 0.000 0.000 0.347 2101 M C 0.917 177.200 176.300 -0.028 0.000 1.173 2101 M CA 0.158 55.452 55.300 -0.009 0.000 1.147 2101 M CB 0.840 33.421 32.600 -0.032 0.000 1.547 2101 M HN 0.809 nan 8.290 nan 0.000 0.455 2102 G N 1.434 110.219 108.800 -0.025 0.000 2.945 2102 G HA2 0.714 4.674 3.960 0.000 0.000 0.156 2102 G HA3 0.714 4.674 3.960 0.000 0.000 0.156 2102 G C -0.837 174.036 174.900 -0.045 0.000 1.375 2102 G CA -0.318 44.763 45.100 -0.031 0.000 1.039 2102 G HN 0.854 nan 8.290 nan 0.000 0.586 2103 A N -0.905 121.889 122.820 -0.044 0.000 2.293 2103 A HA 0.654 4.974 4.320 0.000 0.000 0.302 2103 A C -0.047 177.493 177.584 -0.074 0.000 1.119 2103 A CA -0.531 51.475 52.037 -0.051 0.000 0.823 2103 A CB 0.313 19.291 19.000 -0.038 0.000 1.097 2103 A HN 0.469 nan 8.150 nan 0.000 0.491 2104 I N 1.122 121.641 120.570 -0.085 0.000 2.529 2104 I HA 0.443 4.613 4.170 0.000 0.000 0.284 2104 I C 0.626 176.680 176.117 -0.105 0.000 1.082 2104 I CA 0.530 61.748 61.300 -0.138 0.000 1.406 2104 I CB 1.110 39.026 38.000 -0.139 0.000 1.405 2104 I HN 0.763 nan 8.210 nan 0.000 0.548 2105 A N 4.151 126.888 122.820 -0.138 0.000 2.605 2105 A HA 0.586 4.907 4.320 0.000 0.000 0.294 2105 A C -0.775 176.792 177.584 -0.029 0.000 1.062 2105 A CA -0.564 51.441 52.037 -0.053 0.000 0.682 2105 A CB 1.278 20.255 19.000 -0.038 0.000 1.278 2105 A HN 0.521 nan 8.150 nan 0.000 0.410 2106 S N 0.838 116.569 115.700 0.052 0.000 2.548 2106 S HA 0.645 5.115 4.470 0.000 0.000 0.277 2106 S C -0.011 174.601 174.600 0.020 0.000 1.315 2106 S CA 0.179 58.425 58.200 0.076 0.000 1.050 2106 S CB 0.115 63.359 63.200 0.073 0.000 0.918 2106 S HN 0.560 nan 8.310 nan 0.000 0.497 2107 M N 2.109 121.717 119.600 0.012 0.000 2.618 2107 M HA 0.500 4.981 4.480 0.000 0.000 0.281 2107 M C -0.543 175.756 176.300 -0.002 0.000 1.267 2107 M CA -0.622 54.675 55.300 -0.005 0.000 0.845 2107 M CB 2.466 35.051 32.600 -0.025 0.000 1.732 2107 M HN 0.456 nan 8.290 nan 0.000 0.461 2108 R N 1.832 122.328 120.500 -0.007 0.000 2.435 2108 R HA 0.690 5.030 4.340 0.000 0.000 0.308 2108 R C -2.021 174.270 176.300 -0.015 0.000 0.975 2108 R CA -0.258 55.837 56.100 -0.007 0.000 0.867 2108 R CB 0.942 31.239 30.300 -0.004 0.000 1.171 2108 R HN 0.732 nan 8.270 nan 0.000 0.470 2109 I N 4.708 125.265 120.570 -0.021 0.000 2.410 2109 I HA 0.164 4.335 4.170 0.000 0.000 0.286 2109 I C 0.083 176.179 176.117 -0.034 0.000 1.009 2109 I CA -0.661 60.620 61.300 -0.031 0.000 1.111 2109 I CB 1.951 39.924 38.000 -0.045 0.000 1.262 2109 I HN 0.718 nan 8.210 nan 0.000 0.443 2110 Q N 4.644 124.428 119.800 -0.028 0.000 2.423 2110 Q HA -0.268 4.072 4.340 0.000 0.000 0.332 2110 Q C 1.130 177.117 176.000 -0.022 0.000 1.355 2110 Q CA 0.797 56.584 55.803 -0.027 0.000 0.947 2110 Q CB -1.138 27.576 28.738 -0.041 0.000 1.189 2110 Q HN 1.241 nan 8.270 nan 0.000 0.418 2111 G N -0.306 108.487 108.800 -0.013 0.000 2.179 2111 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 2111 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 2111 G C 0.038 174.937 174.900 -0.002 0.000 0.977 2111 G CA 0.481 45.578 45.100 -0.005 0.000 0.641 2111 G HN 0.391 nan 8.290 nan 0.000 0.533 2112 R N -0.219 120.276 120.500 -0.008 0.000 2.514 2112 R HA 0.625 4.965 4.340 0.000 0.000 0.301 2112 R C 0.145 176.446 176.300 0.001 0.000 0.962 2112 R CA -0.904 55.196 56.100 -0.000 0.000 0.882 2112 R CB 1.398 31.695 30.300 -0.005 0.000 1.143 2112 R HN 0.181 nan 8.270 nan 0.000 0.452 2113 L N 3.196 124.426 121.223 0.011 0.000 2.361 2113 L HA 0.285 4.625 4.340 0.000 0.000 0.278 2113 L C -0.392 176.492 176.870 0.024 0.000 1.113 2113 L CA -0.499 54.350 54.840 0.015 0.000 0.849 2113 L CB 0.891 42.960 42.059 0.017 0.000 1.155 2113 L HN 0.276 nan 8.230 nan 0.000 0.452 2114 V N 3.049 122.977 119.914 0.023 0.000 2.443 2114 V HA 0.193 4.314 4.120 0.000 0.000 0.293 2114 V C -0.093 176.032 176.094 0.051 0.000 1.021 2114 V CA -0.617 61.698 62.300 0.026 0.000 0.848 2114 V CB 1.543 33.357 31.823 -0.015 0.000 0.998 2114 V HN 0.662 nan 8.190 nan 0.000 0.424 2115 H N 4.021 123.073 119.070 -0.030 0.000 2.761 2115 H HA 0.649 5.205 4.556 0.000 0.000 0.284 2115 H C 0.089 175.383 175.328 -0.058 0.000 1.105 2115 H CA 0.437 56.458 56.048 -0.044 0.000 1.352 2115 H CB 1.121 30.853 29.762 -0.051 0.000 1.423 2115 H HN 0.831 nan 8.280 nan 0.000 0.464 2116 G N 3.155 111.749 108.800 -0.343 0.000 2.911 2116 G HA2 0.244 4.204 3.960 0.000 0.000 0.299 2116 G HA3 0.244 4.204 3.960 0.000 0.000 0.299 2116 G C -1.634 173.082 174.900 -0.307 0.000 1.283 2116 G CA -0.688 44.222 45.100 -0.317 0.000 0.805 2116 G HN 0.572 nan 8.290 nan 0.000 0.548 2117 Q N -0.019 119.635 119.800 -0.243 0.000 2.285 2117 Q HA 0.544 4.885 4.340 0.000 0.000 0.269 2117 Q C -0.205 175.710 176.000 -0.141 0.000 1.030 2117 Q CA -0.678 55.014 55.803 -0.185 0.000 0.788 2117 Q CB 1.838 30.468 28.738 -0.180 0.000 1.266 2117 Q HN 0.827 nan 8.270 nan 0.000 0.438 2118 S N 1.748 117.397 115.700 -0.085 0.000 2.652 2118 S HA 0.936 5.406 4.470 0.000 0.000 0.270 2118 S C 0.152 174.752 174.600 -0.000 0.000 1.243 2118 S CA 0.055 58.232 58.200 -0.038 0.000 0.999 2118 S CB 1.625 64.809 63.200 -0.026 0.000 0.973 2118 S HN 0.761 nan 8.310 nan 0.000 0.544 2119 G N 0.411 109.240 108.800 0.047 0.000 2.677 2119 G HA2 0.549 4.509 3.960 0.000 0.000 0.291 2119 G HA3 0.549 4.509 3.960 0.000 0.000 0.291 2119 G C -1.460 173.480 174.900 0.067 0.000 1.435 2119 G CA -0.928 44.214 45.100 0.070 0.000 0.826 2119 G HN 0.562 nan 8.290 nan 0.000 0.491 2120 M N 1.567 121.195 119.600 0.046 0.000 2.167 2120 M HA 0.397 4.877 4.480 0.000 0.000 0.333 2120 M C -0.076 176.241 176.300 0.028 0.000 1.030 2120 M CA -0.647 54.673 55.300 0.034 0.000 0.963 2120 M CB 1.071 33.682 32.600 0.017 0.000 1.589 2120 M HN 0.318 nan 8.290 nan 0.000 0.431 2121 L N 3.766 125.005 121.223 0.028 0.000 2.455 2121 L HA 0.078 4.418 4.340 0.000 0.000 0.272 2121 L C 1.482 178.355 176.870 0.004 0.000 1.174 2121 L CA -0.177 54.669 54.840 0.009 0.000 0.869 2121 L CB 0.502 42.564 42.059 0.006 0.000 1.130 2121 L HN 0.696 nan 8.230 nan 0.000 0.474 2122 L N 1.959 123.180 121.223 -0.003 0.000 2.456 2122 L HA -0.114 4.227 4.340 0.000 0.000 0.224 2122 L C 2.290 179.160 176.870 -0.001 0.000 1.148 2122 L CA 0.973 55.812 54.840 -0.002 0.000 0.825 2122 L CB -0.790 41.267 42.059 -0.003 0.000 0.937 2122 L HN 0.870 nan 8.230 nan 0.000 0.450 2123 T N -2.525 112.027 114.554 -0.003 0.000 3.051 2123 T HA 0.196 4.546 4.350 0.000 0.000 0.269 2123 T C 1.114 175.815 174.700 0.001 0.000 1.127 2123 T CA 0.430 62.529 62.100 -0.002 0.000 1.107 2123 T CB -0.259 68.606 68.868 -0.005 0.000 0.898 2123 T HN 0.499 nan 8.240 nan 0.000 0.517 2124 G N 0.286 109.088 108.800 0.003 0.000 2.730 2124 G HA2 0.184 4.145 3.960 0.000 0.000 0.686 2124 G HA3 0.184 4.145 3.960 0.000 0.000 0.686 2124 G C 0.680 175.584 174.900 0.007 0.000 1.343 2124 G CA -0.466 44.637 45.100 0.005 0.000 0.826 2124 G HN 0.818 nan 8.290 nan 0.000 0.582 2125 A N 0.200 123.025 122.820 0.008 0.000 1.969 2125 A HA -0.002 4.318 4.320 0.000 0.000 0.218 2125 A C 2.061 179.650 177.584 0.008 0.000 1.169 2125 A CA 2.089 54.131 52.037 0.009 0.000 0.635 2125 A CB -0.281 18.724 19.000 0.008 0.000 0.810 2125 A HN 0.744 nan 8.150 nan 0.000 0.445 2126 N N 0.498 119.202 118.700 0.006 0.000 2.521 2126 N HA 0.095 4.835 4.740 0.000 0.000 0.188 2126 N C 0.555 176.069 175.510 0.005 0.000 1.146 2126 N CA 0.732 53.785 53.050 0.006 0.000 0.893 2126 N CB -0.274 38.215 38.487 0.004 0.000 0.975 2126 N HN 0.452 nan 8.380 nan 0.000 0.451 2127 A N 1.298 124.121 122.820 0.006 0.000 2.492 2127 A HA 0.185 4.505 4.320 0.000 0.000 0.254 2127 A C 0.236 177.824 177.584 0.006 0.000 1.091 2127 A CA 0.330 52.370 52.037 0.004 0.000 0.768 2127 A CB 0.236 19.238 19.000 0.003 0.000 1.028 2127 A HN 0.098 nan 8.150 nan 0.000 0.498 2128 K N 1.287 121.690 120.400 0.005 0.000 2.371 2128 K HA 0.710 5.030 4.320 0.000 0.000 0.251 2128 K C -0.171 176.432 176.600 0.004 0.000 0.934 2128 K CA -0.087 56.204 56.287 0.006 0.000 0.798 2128 K CB 2.381 34.885 32.500 0.006 0.000 1.204 2128 K HN 1.594 nan 8.250 nan 0.000 0.427 2129 G N 1.513 110.317 108.800 0.006 0.000 2.640 2129 G HA2 -0.141 3.819 3.960 0.000 0.000 0.686 2129 G HA3 -0.141 3.819 3.960 0.000 0.000 0.686 2129 G C 0.322 175.224 174.900 0.003 0.000 1.229 2129 G CA -0.436 44.666 45.100 0.004 0.000 0.796 2129 G HN 0.702 nan 8.290 nan 0.000 0.654 2130 M N -0.474 119.128 119.600 0.004 0.000 2.549 2130 M HA 0.142 4.622 4.480 0.000 0.000 0.260 2130 M C 0.780 177.074 176.300 -0.011 0.000 1.076 2130 M CA 1.793 57.094 55.300 0.002 0.000 1.090 2130 M CB -0.134 32.472 32.600 0.010 0.000 1.418 2130 M HN 0.280 nan 8.290 nan 0.000 0.486 2131 D N 1.336 121.728 120.400 -0.013 0.000 2.340 2131 D HA 0.205 4.845 4.640 0.000 0.000 0.220 2131 D C 1.494 177.781 176.300 -0.021 0.000 1.039 2131 D CA 0.644 54.631 54.000 -0.021 0.000 0.866 2131 D CB 0.450 41.238 40.800 -0.020 0.000 0.913 2131 D HN 0.485 nan 8.370 nan 0.000 0.523 2132 L N -0.668 120.545 121.223 -0.017 0.000 3.016 2132 L HA 0.403 4.743 4.340 0.000 0.000 0.267 2132 L C 0.896 177.755 176.870 -0.018 0.000 1.182 2132 L CA -0.336 54.495 54.840 -0.016 0.000 0.997 2132 L CB 1.181 43.235 42.059 -0.008 0.000 1.354 2132 L HN -0.113 nan 8.230 nan 0.000 0.569 2133 G N -0.338 108.447 108.800 -0.024 0.000 2.606 2133 G HA2 0.449 4.409 3.960 0.000 0.000 0.300 2133 G HA3 0.449 4.409 3.960 0.000 0.000 0.300 2133 G C -0.966 173.906 174.900 -0.047 0.000 1.360 2133 G CA -0.210 44.874 45.100 -0.027 0.000 0.783 2133 G HN -0.120 nan 8.290 nan 0.000 0.484 2134 T N -1.503 113.019 114.554 -0.053 0.000 2.928 2134 T HA 0.743 5.093 4.350 0.000 0.000 0.284 2134 T C 0.269 174.984 174.700 0.026 0.000 1.008 2134 T CA -0.363 61.683 62.100 -0.090 0.000 1.057 2134 T CB 1.268 69.960 68.868 -0.294 0.000 1.018 2134 T HN 1.249 nan 8.240 nan 0.000 0.493 2135 I N -2.259 118.343 120.570 0.053 0.000 3.191 2135 I HA 0.694 4.865 4.170 0.000 0.000 0.313 2135 I C -3.190 173.011 176.117 0.140 0.000 1.193 2135 I CA -3.625 57.731 61.300 0.093 0.000 0.968 2135 I CB 1.627 39.668 38.000 0.068 0.000 1.262 2135 I HN 0.322 nan 8.210 nan 0.000 0.456 2136 P HA 0.200 nan 4.420 nan 0.000 0.264 2136 P C 0.628 178.032 177.300 0.173 0.000 1.183 2136 P CA 1.362 64.549 63.100 0.145 0.000 0.763 2136 P CB 0.629 32.392 31.700 0.105 0.000 0.807 2137 G N 2.603 111.535 108.800 0.221 0.000 2.238 2137 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 2137 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 2137 G C 0.758 175.914 174.900 0.426 0.000 0.996 2137 G CA -0.027 45.233 45.100 0.266 0.000 0.632 2137 G HN 0.483 nan 8.290 nan 0.000 0.503 2138 D N 0.456 121.073 120.400 0.362 0.000 2.349 2138 D HA 0.208 4.848 4.640 0.000 0.000 0.215 2138 D C 1.296 177.875 176.300 0.465 0.000 1.016 2138 D CA 0.227 54.434 54.000 0.345 0.000 0.870 2138 D CB -0.096 40.759 40.800 0.093 0.000 0.917 2138 D HN 0.471 nan 8.370 nan 0.000 0.524 2139 C N 0.296 119.888 119.300 0.487 0.000 2.657 2139 C HA 0.421 4.881 4.460 0.000 0.000 0.420 2139 C C 1.935 177.180 174.990 0.425 0.000 1.323 2139 C CA 0.889 60.169 59.018 0.436 0.000 1.894 2139 C CB 0.103 28.019 27.740 0.294 0.000 2.681 2139 C HN 0.687 nan 8.230 nan 0.000 0.613 2140 G N 1.458 110.457 108.800 0.332 0.000 2.238 2140 G HA2 -0.003 3.957 3.960 0.000 0.000 0.217 2140 G HA3 -0.003 3.957 3.960 0.000 0.000 0.217 2140 G C 0.263 175.314 174.900 0.251 0.000 0.996 2140 G CA 0.181 45.435 45.100 0.256 0.000 0.632 2140 G HN 1.422 nan 8.290 nan 0.000 0.503 2141 A N 2.351 125.343 122.820 0.286 0.000 2.540 2141 A HA 0.563 4.883 4.320 0.000 0.000 0.239 2141 A C -1.185 176.464 177.584 0.110 0.000 1.061 2141 A CA 0.129 52.243 52.037 0.129 0.000 0.758 2141 A CB 0.119 19.119 19.000 -0.000 0.000 0.991 2141 A HN 0.351 nan 8.150 nan 0.000 0.502 2142 P HA 0.230 nan 4.420 nan 0.000 0.278 2142 P C -1.376 175.858 177.300 -0.110 0.000 1.238 2142 P CA 0.046 63.015 63.100 -0.217 0.000 0.794 2142 P CB 0.544 31.703 31.700 -0.901 0.000 0.955 2143 Y N 1.570 121.758 120.300 -0.186 0.000 2.342 2143 Y HA 0.365 4.915 4.550 0.001 0.000 0.338 2143 Y C 0.752 176.613 175.900 -0.066 0.000 0.965 2143 Y CA -0.469 57.583 58.100 -0.079 0.000 1.159 2143 Y CB 1.290 39.751 38.460 0.002 0.000 1.157 2143 Y HN 0.190 nan 8.280 nan 0.000 0.486 2144 V N 2.105 122.052 119.914 0.056 0.000 3.102 2144 V HA 0.895 5.016 4.120 0.000 0.000 0.312 2144 V C -1.424 174.885 176.094 0.358 0.000 1.135 2144 V CA -1.316 61.066 62.300 0.136 0.000 1.022 2144 V CB 2.307 34.120 31.823 -0.016 0.000 1.056 2144 V HN 0.664 nan 8.190 nan 0.000 0.436 2145 Y N -0.724 119.719 120.300 0.239 0.000 2.677 2145 Y HA 0.740 5.290 4.550 0.000 0.000 0.334 2145 Y C -1.138 174.723 175.900 -0.064 0.000 1.196 2145 Y CA -1.255 56.926 58.100 0.135 0.000 1.059 2145 Y CB 1.734 40.216 38.460 0.037 0.000 1.315 2145 Y HN 0.858 nan 8.280 nan 0.000 0.455 2146 K N 2.350 122.558 120.400 -0.321 0.000 2.244 2146 K HA 0.554 4.874 4.320 0.000 0.000 0.260 2146 K C -1.302 175.122 176.600 -0.293 0.000 0.951 2146 K CA -0.980 54.877 56.287 -0.716 0.000 0.826 2146 K CB 1.436 33.221 32.500 -1.191 0.000 1.108 2146 K HN 0.887 nan 8.250 nan 0.000 0.433 2147 R N 3.516 123.831 120.500 -0.309 0.000 2.388 2147 R HA 0.407 4.747 4.340 0.000 0.000 0.314 2147 R C -0.172 176.040 176.300 -0.148 0.000 0.959 2147 R CA 0.621 56.650 56.100 -0.118 0.000 0.851 2147 R CB 1.048 31.312 30.300 -0.061 0.000 1.168 2147 R HN 0.946 nan 8.270 nan 0.000 0.472 2148 A N 3.886 126.638 122.820 -0.113 0.000 5.195 2148 A HA -0.315 4.005 4.320 0.000 0.000 0.310 2148 A C 0.014 177.511 177.584 -0.144 0.000 1.951 2148 A CA 1.196 53.173 52.037 -0.100 0.000 0.714 2148 A CB -1.362 17.596 19.000 -0.069 0.000 1.301 2148 A HN 0.805 nan 8.150 nan 0.000 0.369 2149 N N 1.695 120.320 118.700 -0.125 0.000 2.204 2149 N HA 0.212 4.952 4.740 0.000 0.000 0.219 2149 N C -1.028 174.394 175.510 -0.145 0.000 1.151 2149 N CA 0.438 53.412 53.050 -0.126 0.000 0.867 2149 N CB 0.452 38.904 38.487 -0.059 0.000 1.043 2149 N HN 0.646 nan 8.380 nan 0.000 0.516 2150 D N -0.274 120.014 120.400 -0.187 0.000 2.248 2150 D HA 0.213 4.854 4.640 0.000 0.000 0.246 2150 D C -0.393 175.745 176.300 -0.270 0.000 1.027 2150 D CA -0.293 53.622 54.000 -0.143 0.000 0.853 2150 D CB 1.509 42.262 40.800 -0.077 0.000 1.243 2150 D HN -0.048 nan 8.370 nan 0.000 0.462 2151 W N 1.040 122.291 121.300 -0.081 0.000 2.365 2151 W HA 0.408 5.068 4.660 -0.000 0.000 0.316 2151 W C -0.204 176.216 176.519 -0.165 0.000 1.164 2151 W CA -0.428 56.847 57.345 -0.117 0.000 1.204 2151 W CB 1.224 30.654 29.460 -0.049 0.000 1.213 2151 W HN -0.046 nan 8.180 nan 0.000 0.539 2152 V N 4.669 124.544 119.914 -0.064 0.000 2.656 2152 V HA 0.419 4.539 4.120 0.000 0.000 0.307 2152 V C -0.800 175.247 176.094 -0.079 0.000 1.051 2152 V CA -1.200 60.984 62.300 -0.193 0.000 0.893 2152 V CB 1.604 33.051 31.823 -0.626 0.000 0.999 2152 V HN 0.264 nan 8.190 nan 0.000 0.426 2153 V N 5.626 125.553 119.914 0.021 0.000 2.417 2153 V HA 0.422 4.542 4.120 0.000 0.000 0.291 2153 V C 0.620 176.758 176.094 0.074 0.000 1.024 2153 V CA 0.016 62.323 62.300 0.012 0.000 0.861 2153 V CB 1.298 33.100 31.823 -0.036 0.000 0.985 2153 V HN 1.204 nan 8.190 nan 0.000 0.436 2154 C N 3.476 122.848 119.300 0.120 0.000 3.385 2154 C HA 0.868 5.328 4.460 0.000 0.000 0.288 2154 C C 0.751 175.779 174.990 0.064 0.000 1.429 2154 C CA -0.072 59.016 59.018 0.116 0.000 1.778 2154 C CB -1.187 26.674 27.740 0.201 0.000 2.503 2154 C HN 1.340 nan 8.230 nan 0.000 0.646 2155 G N 0.288 109.148 108.800 0.100 0.000 2.368 2155 G HA2 0.554 4.514 3.960 0.000 0.000 0.293 2155 G HA3 0.554 4.514 3.960 0.000 0.000 0.293 2155 G C -1.516 173.441 174.900 0.096 0.000 1.467 2155 G CA 0.243 45.386 45.100 0.072 0.000 0.804 2155 G HN 1.146 nan 8.290 nan 0.000 0.535 2156 V N -2.013 117.943 119.914 0.069 0.000 2.656 2156 V HA 0.761 4.881 4.120 0.000 0.000 0.307 2156 V C 0.023 176.171 176.094 0.091 0.000 1.051 2156 V CA -1.220 61.134 62.300 0.091 0.000 0.893 2156 V CB 1.359 33.163 31.823 -0.032 0.000 0.999 2156 V HN 1.088 nan 8.190 nan 0.000 0.426 2157 H N 3.395 122.591 119.070 0.210 0.000 3.070 2157 H HA 0.512 5.068 4.556 0.000 0.000 0.313 2157 H C 0.729 176.130 175.328 0.122 0.000 0.997 2157 H CA 1.050 57.246 56.048 0.247 0.000 1.438 2157 H CB 1.585 31.536 29.762 0.315 0.000 1.455 2157 H HN 1.034 nan 8.280 nan 0.000 0.575 2158 A N 3.568 126.090 122.820 -0.497 0.000 2.066 2158 A HA 0.671 4.991 4.320 0.000 0.000 0.198 2158 A C 0.350 177.713 177.584 -0.369 0.000 1.405 2158 A CA 0.620 52.472 52.037 -0.309 0.000 0.973 2158 A CB 0.235 19.133 19.000 -0.169 0.000 1.026 2158 A HN 0.863 nan 8.150 nan 0.000 0.474 2159 A N -1.805 120.698 122.820 -0.529 0.000 2.540 2159 A HA 0.849 5.169 4.320 0.000 0.000 0.291 2159 A C -0.882 176.657 177.584 -0.076 0.000 1.083 2159 A CA 0.051 51.949 52.037 -0.231 0.000 0.650 2159 A CB 0.186 19.113 19.000 -0.123 0.000 1.292 2159 A HN 1.946 nan 8.150 nan 0.000 0.435 2160 A N -0.515 122.331 122.820 0.043 0.000 2.597 2160 A HA 0.818 5.139 4.320 0.000 0.000 0.292 2160 A C -0.174 177.447 177.584 0.061 0.000 1.057 2160 A CA 0.225 52.323 52.037 0.102 0.000 0.674 2160 A CB 0.269 19.388 19.000 0.200 0.000 1.278 2160 A HN 2.329 nan 8.150 nan 0.000 0.416 2161 T N -0.460 114.126 114.554 0.053 0.000 2.899 2161 T HA 0.357 4.708 4.350 0.000 0.000 0.295 2161 T C 0.805 175.529 174.700 0.040 0.000 1.033 2161 T CA 0.020 62.142 62.100 0.036 0.000 1.084 2161 T CB 0.856 69.741 68.868 0.029 0.000 0.979 2161 T HN 0.630 nan 8.240 nan 0.000 0.532 2162 K N 0.919 121.338 120.400 0.031 0.000 2.103 2162 K HA 0.006 4.326 4.320 0.000 0.000 0.204 2162 K C 1.833 178.449 176.600 0.027 0.000 1.052 2162 K CA 0.999 57.304 56.287 0.031 0.000 0.945 2162 K CB 0.038 32.553 32.500 0.024 0.000 0.722 2162 K HN 0.525 nan 8.250 nan 0.000 0.443 2163 S N -0.353 115.361 115.700 0.023 0.000 2.603 2163 S HA 0.164 4.634 4.470 0.000 0.000 0.232 2163 S C 0.523 175.134 174.600 0.019 0.000 1.016 2163 S CA -0.376 57.836 58.200 0.019 0.000 0.976 2163 S CB 1.312 64.521 63.200 0.015 0.000 0.921 2163 S HN 0.385 nan 8.310 nan 0.000 0.516 2164 G N 2.360 111.173 108.800 0.022 0.000 2.702 2164 G HA2 0.332 4.292 3.960 0.000 0.000 0.254 2164 G HA3 0.332 4.292 3.960 0.000 0.000 0.254 2164 G C 0.067 174.982 174.900 0.025 0.000 1.380 2164 G CA -0.499 44.614 45.100 0.021 0.000 1.042 2164 G HN 0.374 nan 8.290 nan 0.000 0.557 2165 N N -0.680 118.035 118.700 0.026 0.000 2.351 2165 N HA 0.108 4.848 4.740 0.000 0.000 0.254 2165 N C -0.420 175.115 175.510 0.041 0.000 1.241 2165 N CA -0.221 52.846 53.050 0.029 0.000 0.883 2165 N CB 0.699 39.197 38.487 0.019 0.000 1.202 2165 N HN 0.162 nan 8.380 nan 0.000 0.512 2166 T N 1.162 115.743 114.554 0.046 0.000 2.767 2166 T HA 0.482 4.832 4.350 0.000 0.000 0.288 2166 T C 0.408 175.159 174.700 0.086 0.000 0.963 2166 T CA -0.520 61.613 62.100 0.054 0.000 1.019 2166 T CB 1.717 70.606 68.868 0.034 0.000 0.923 2166 T HN 0.202 nan 8.240 nan 0.000 0.468 2167 V N 0.986 120.973 119.914 0.121 0.000 3.113 2167 V HA 0.961 5.081 4.120 0.000 0.000 0.316 2167 V C -0.811 175.356 176.094 0.121 0.000 1.125 2167 V CA -0.934 61.485 62.300 0.198 0.000 1.026 2167 V CB 2.042 34.084 31.823 0.365 0.000 1.080 2167 V HN 0.569 nan 8.190 nan 0.000 0.444 2168 V N 1.188 121.132 119.914 0.051 0.000 2.686 2168 V HA 0.567 4.687 4.120 0.000 0.000 0.306 2168 V C -0.108 175.838 176.094 -0.246 0.000 1.065 2168 V CA -0.188 62.053 62.300 -0.098 0.000 0.894 2168 V CB 1.615 33.368 31.823 -0.115 0.000 1.004 2168 V HN 1.414 nan 8.190 nan 0.000 0.424 2169 C N 2.807 121.852 119.300 -0.426 0.000 2.382 2169 C HA 0.956 5.417 4.460 0.000 0.000 0.327 2169 C C 0.594 175.397 174.990 -0.312 0.000 1.250 2169 C CA -0.843 57.821 59.018 -0.591 0.000 1.707 2169 C CB 0.473 27.363 27.740 -1.416 0.000 2.272 2169 C HN 1.173 nan 8.230 nan 0.000 0.506 2170 A N 3.129 125.859 122.820 -0.150 0.000 2.388 2170 A HA 0.636 4.956 4.320 0.000 0.000 0.257 2170 A C 0.297 177.921 177.584 0.066 0.000 1.095 2170 A CA 0.086 52.115 52.037 -0.012 0.000 0.791 2170 A CB 0.102 19.162 19.000 0.100 0.000 1.029 2170 A HN 2.222 nan 8.150 nan 0.000 0.489 2171 V N 0.795 120.672 119.914 -0.063 0.000 2.769 2171 V HA 0.578 4.698 4.120 0.000 0.000 0.312 2171 V C -0.080 175.733 176.094 -0.469 0.000 1.061 2171 V CA -0.927 61.230 62.300 -0.238 0.000 0.931 2171 V CB 1.261 32.925 31.823 -0.264 0.000 1.010 2171 V HN 1.026 nan 8.190 nan 0.000 0.433 2172 Q N 1.561 120.708 119.800 -1.088 0.000 2.421 2172 Q HA 0.612 4.952 4.340 0.000 0.000 0.255 2172 Q C -0.177 175.607 176.000 -0.360 0.000 1.013 2172 Q CA 0.295 55.431 55.803 -1.113 0.000 0.895 2172 Q CB 1.276 29.312 28.738 -1.171 0.000 1.271 2172 Q HN 1.266 nan 8.270 nan 0.000 0.460 2173 A N 1.707 124.379 122.820 -0.247 0.000 2.515 2173 A HA 0.426 4.746 4.320 0.000 0.000 0.296 2173 A C 0.319 177.901 177.584 -0.002 0.000 1.094 2173 A CA -0.512 51.453 52.037 -0.119 0.000 0.718 2173 A CB 1.692 20.585 19.000 -0.178 0.000 1.307 2173 A HN 0.835 nan 8.150 nan 0.000 0.408 2174 S N 0.375 116.078 115.700 0.005 0.000 2.382 2174 S HA -0.053 4.418 4.470 0.000 0.000 0.228 2174 S C 0.604 175.261 174.600 0.095 0.000 1.027 2174 S CA 1.124 59.354 58.200 0.050 0.000 0.991 2174 S CB -0.145 63.053 63.200 -0.003 0.000 0.823 2174 S HN 0.694 nan 8.310 nan 0.000 0.469 2175 E N 0.736 120.977 120.200 0.068 0.000 2.249 2175 E HA 0.612 4.962 4.350 0.000 0.000 0.280 2175 E C 0.144 176.868 176.600 0.206 0.000 1.016 2175 E CA -0.091 56.359 56.400 0.084 0.000 0.830 2175 E CB 1.455 31.160 29.700 0.008 0.000 1.081 2175 E HN 0.337 nan 8.360 nan 0.000 0.395 2176 G N 1.973 110.915 108.800 0.238 0.000 2.655 2176 G HA2 0.215 4.176 3.960 0.000 0.000 0.296 2176 G HA3 0.215 4.176 3.960 0.000 0.000 0.296 2176 G C -0.703 174.312 174.900 0.191 0.000 1.485 2176 G CA -0.718 44.550 45.100 0.279 0.000 0.869 2176 G HN 0.176 nan 8.290 nan 0.000 0.540 2177 E N 0.120 120.387 120.200 0.111 0.000 2.410 2177 E HA 0.258 4.608 4.350 0.000 0.000 0.255 2177 E C 1.363 177.993 176.600 0.049 0.000 1.194 2177 E CA 0.491 56.923 56.400 0.054 0.000 0.955 2177 E CB 0.897 30.612 29.700 0.025 0.000 0.988 2177 E HN 0.667 nan 8.360 nan 0.000 0.461 2178 T N -3.866 110.693 114.554 0.008 0.000 3.044 2178 T HA 0.105 4.455 4.350 0.000 0.000 0.260 2178 T C 0.754 175.440 174.700 -0.024 0.000 1.019 2178 T CA 0.087 62.178 62.100 -0.014 0.000 0.921 2178 T CB -0.008 68.848 68.868 -0.020 0.000 1.053 2178 T HN 0.450 nan 8.240 nan 0.000 0.533 2179 T N -0.229 114.316 114.554 -0.014 0.000 2.883 2179 T HA 0.800 5.150 4.350 0.000 0.000 0.284 2179 T C -0.388 174.305 174.700 -0.011 0.000 1.041 2179 T CA -1.044 61.053 62.100 -0.005 0.000 1.007 2179 T CB 1.516 70.392 68.868 0.012 0.000 1.220 2179 T HN 0.167 nan 8.240 nan 0.000 0.552 2180 L N 0.000 121.235 121.223 0.020 0.000 2.949 2180 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2180 L CA 0.000 54.859 54.840 0.032 0.000 0.813 2180 L CB 0.000 42.115 42.059 0.093 0.000 0.961 2180 L HN 0.000 nan 8.230 nan 0.000 0.502