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 1rxs_1_e DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNXXX XXXXXSHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.593 174.600 -0.012 0.000 1.055 2004 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 2004 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 2005 D N 1.358 121.757 120.400 -0.001 0.000 2.346 2005 D HA 0.160 4.800 4.640 0.000 0.000 0.206 2005 D C 0.938 177.254 176.300 0.027 0.000 1.001 2005 D CA 1.329 55.337 54.000 0.013 0.000 0.871 2005 D CB 0.574 41.383 40.800 0.015 0.000 0.943 2005 D HN 0.606 nan 8.370 nan 0.000 0.518 2006 V N -2.079 117.847 119.914 0.020 0.000 2.864 2006 V HA 0.383 4.503 4.120 0.000 0.000 0.314 2006 V C 0.792 176.909 176.094 0.038 0.000 1.073 2006 V CA -1.038 61.291 62.300 0.049 0.000 0.956 2006 V CB 1.757 33.604 31.823 0.040 0.000 1.023 2006 V HN -0.105 nan 8.190 nan 0.000 0.435 2007 F N 1.057 120.963 119.950 -0.072 0.000 2.325 2007 F HA 0.037 4.564 4.527 0.000 0.000 0.299 2007 F C 1.809 177.419 175.800 -0.318 0.000 1.090 2007 F CA 2.163 60.047 58.000 -0.193 0.000 1.392 2007 F CB 0.209 39.071 39.000 -0.230 0.000 1.053 2007 F HN 0.835 nan 8.300 nan 0.000 0.521 2008 H N -1.437 117.548 119.070 -0.142 0.000 2.501 2008 H HA 0.239 4.795 4.556 0.000 0.000 0.281 2008 H C 1.861 177.089 175.328 -0.167 0.000 0.988 2008 H CA 0.787 56.715 56.048 -0.199 0.000 1.232 2008 H CB -0.020 29.659 29.762 -0.140 0.000 1.455 2008 H HN 0.098 nan 8.280 nan 0.000 0.501 2009 L N -0.231 120.964 121.223 -0.047 0.000 2.395 2009 L HA 0.182 4.522 4.340 0.000 0.000 0.218 2009 L C 1.057 177.993 176.870 0.110 0.000 1.130 2009 L CA 0.594 55.448 54.840 0.023 0.000 0.826 2009 L CB -0.165 41.874 42.059 -0.033 0.000 0.941 2009 L HN 0.499 nan 8.230 nan 0.000 0.451 2010 G N 1.423 110.197 108.800 -0.043 0.000 2.295 2010 G HA2 -0.266 3.694 3.960 0.000 0.000 0.287 2010 G HA3 -0.266 3.694 3.960 0.000 0.000 0.287 2010 G C -0.170 174.759 174.900 0.049 0.000 1.055 2010 G CA 0.128 45.198 45.100 -0.051 0.000 0.922 2010 G HN 0.252 nan 8.290 nan 0.000 0.503 2011 L N -0.228 121.009 121.223 0.024 0.000 2.323 2011 L HA 0.862 5.202 4.340 0.000 0.000 0.265 2011 L C 0.743 177.620 176.870 0.011 0.000 1.012 2011 L CA -0.628 54.227 54.840 0.025 0.000 0.820 2011 L CB 2.361 44.439 42.059 0.032 0.000 1.334 2011 L HN 0.346 nan 8.230 nan 0.000 0.427 2012 T N -3.569 110.990 114.554 0.008 0.000 2.932 2012 T HA 0.324 4.674 4.350 0.000 0.000 0.289 2012 T C 0.719 175.423 174.700 0.007 0.000 1.039 2012 T CA -0.899 61.204 62.100 0.006 0.000 1.024 2012 T CB 2.127 70.996 68.868 0.002 0.000 1.090 2012 T HN 0.474 nan 8.240 nan 0.000 0.496 2013 K N 0.714 121.119 120.400 0.008 0.000 2.127 2013 K HA -0.220 4.100 4.320 0.000 0.000 0.208 2013 K C 1.905 178.506 176.600 0.002 0.000 1.047 2013 K CA 1.555 57.846 56.287 0.006 0.000 0.927 2013 K CB -0.376 32.128 32.500 0.007 0.000 0.716 2013 K HN 0.690 nan 8.250 nan 0.000 0.450 2014 N N 0.907 119.607 118.700 0.000 0.000 2.244 2014 N HA -0.141 4.599 4.740 0.000 0.000 0.183 2014 N C 1.044 176.551 175.510 -0.005 0.000 1.016 2014 N CA 0.918 53.967 53.050 -0.003 0.000 0.866 2014 N CB 0.057 38.542 38.487 -0.004 0.000 0.980 2014 N HN 0.168 nan 8.380 nan 0.000 0.430 2015 D N 0.772 121.169 120.400 -0.005 0.000 2.182 2015 D HA -0.132 4.508 4.640 0.000 0.000 0.201 2015 D C 1.797 178.093 176.300 -0.006 0.000 0.986 2015 D CA 0.613 54.608 54.000 -0.009 0.000 0.847 2015 D CB 0.024 40.821 40.800 -0.006 0.000 0.942 2015 D HN 0.255 nan 8.370 nan 0.000 0.467 2016 L N 0.089 121.311 121.223 -0.002 0.000 2.313 2016 L HA 0.012 4.352 4.340 0.000 0.000 0.214 2016 L C 0.894 177.761 176.870 -0.005 0.000 1.119 2016 L CA 0.652 55.491 54.840 -0.002 0.000 0.809 2016 L CB -0.293 41.763 42.059 -0.004 0.000 0.933 2016 L HN -0.004 nan 8.230 nan 0.000 0.449 2017 Q N -0.404 119.392 119.800 -0.006 0.000 2.453 2017 Q HA -0.280 4.060 4.340 0.000 0.000 0.294 2017 Q C 1.046 177.042 176.000 -0.007 0.000 1.295 2017 Q CA 0.365 56.164 55.803 -0.006 0.000 0.853 2017 Q CB -1.578 27.157 28.738 -0.005 0.000 1.193 2017 Q HN 0.651 nan 8.270 nan 0.000 0.461 2018 G N -2.341 106.454 108.800 -0.009 0.000 2.176 2018 G HA2 -0.268 3.692 3.960 0.000 0.000 0.253 2018 G HA3 -0.268 3.692 3.960 0.000 0.000 0.253 2018 G C 0.251 175.140 174.900 -0.019 0.000 0.979 2018 G CA 0.100 45.193 45.100 -0.012 0.000 0.641 2018 G HN 1.174 nan 8.290 nan 0.000 0.530 2019 A N 0.405 123.212 122.820 -0.022 0.000 2.565 2019 A HA 0.561 4.881 4.320 0.000 0.000 0.237 2019 A C 1.474 179.025 177.584 -0.056 0.000 1.053 2019 A CA 1.953 53.969 52.037 -0.035 0.000 0.755 2019 A CB 0.181 19.162 19.000 -0.032 0.000 0.980 2019 A HN 1.706 nan 8.150 nan 0.000 0.506 2020 T N 0.103 114.613 114.554 -0.074 0.000 3.058 2020 T HA 0.412 4.762 4.350 0.000 0.000 0.278 2020 T C 0.033 174.631 174.700 -0.170 0.000 0.974 2020 T CA 0.064 62.102 62.100 -0.102 0.000 0.893 2020 T CB -0.487 68.341 68.868 -0.067 0.000 1.138 2020 T HN 0.592 nan 8.240 nan 0.000 0.529 2021 L N 1.598 122.723 121.223 -0.163 0.000 2.386 2021 L HA 0.888 5.228 4.340 0.000 0.000 0.271 2021 L C -1.428 175.318 176.870 -0.207 0.000 0.993 2021 L CA -0.990 53.725 54.840 -0.208 0.000 0.819 2021 L CB 1.895 43.880 42.059 -0.122 0.000 1.294 2021 L HN 0.206 nan 8.230 nan 0.000 0.414 2022 A N 5.577 128.223 122.820 -0.289 0.000 2.356 2022 A HA 0.695 5.015 4.320 0.000 0.000 0.310 2022 A C -0.979 176.571 177.584 -0.057 0.000 1.075 2022 A CA -0.534 51.406 52.037 -0.162 0.000 0.746 2022 A CB 1.062 19.952 19.000 -0.184 0.000 1.221 2022 A HN 0.674 nan 8.150 nan 0.000 0.443 2023 I N 2.599 123.169 120.570 0.000 0.000 2.325 2023 I HA 0.330 4.500 4.170 0.000 0.000 0.291 2023 I C -0.095 176.065 176.117 0.071 0.000 1.019 2023 I CA -0.471 60.848 61.300 0.033 0.000 1.302 2023 I CB 1.656 39.666 38.000 0.016 0.000 1.401 2023 I HN 0.452 nan 8.210 nan 0.000 0.485 2024 V N 6.060 126.035 119.914 0.101 0.000 2.266 2024 V HA 0.500 4.620 4.120 0.000 0.000 0.271 2024 V C -2.440 173.705 176.094 0.085 0.000 1.032 2024 V CA -1.925 60.448 62.300 0.122 0.000 0.806 2024 V CB 0.240 32.174 31.823 0.186 0.000 1.052 2024 V HN 0.459 nan 8.190 nan 0.000 0.449 2025 P HA 0.302 nan 4.420 nan 0.000 0.275 2025 P C 0.911 178.239 177.300 0.047 0.000 1.266 2025 P CA 0.297 63.422 63.100 0.042 0.000 0.793 2025 P CB 1.663 33.375 31.700 0.020 0.000 1.074 2026 G N -0.687 108.130 108.800 0.028 0.000 2.510 2026 G HA2 -0.040 3.920 3.960 0.000 0.000 0.212 2026 G HA3 -0.040 3.920 3.960 0.000 0.000 0.212 2026 G C 0.187 175.088 174.900 0.002 0.000 1.151 2026 G CA 0.383 45.495 45.100 0.020 0.000 0.817 2026 G HN 0.519 nan 8.290 nan 0.000 0.534 2027 D N 0.348 120.745 120.400 -0.005 0.000 2.280 2027 D HA 0.300 4.940 4.640 0.000 0.000 0.243 2027 D C -1.222 175.071 176.300 -0.012 0.000 1.129 2027 D CA -2.545 51.444 54.000 -0.020 0.000 0.848 2027 D CB 2.148 42.933 40.800 -0.026 0.000 1.107 2027 D HN -0.070 nan 8.370 nan 0.000 0.471 2028 P HA -0.137 nan 4.420 nan 0.000 0.216 2028 P C 0.509 177.810 177.300 0.002 0.000 1.150 2028 P CA 1.052 64.158 63.100 0.010 0.000 0.843 2028 P CB 0.319 32.018 31.700 -0.002 0.000 0.787 2029 D N -0.838 119.552 120.400 -0.018 0.000 2.348 2029 D HA -0.112 4.528 4.640 0.000 0.000 0.216 2029 D C 1.918 178.181 176.300 -0.060 0.000 0.970 2029 D CA 0.656 54.638 54.000 -0.029 0.000 0.889 2029 D CB -0.146 40.637 40.800 -0.028 0.000 0.912 2029 D HN 0.357 nan 8.370 nan 0.000 0.524 2030 R N 0.450 120.915 120.500 -0.059 0.000 2.334 2030 R HA 0.081 4.421 4.340 0.000 0.000 0.216 2030 R C 1.557 177.787 176.300 -0.116 0.000 0.905 2030 R CA 0.168 56.220 56.100 -0.080 0.000 1.064 2030 R CB -0.035 30.234 30.300 -0.052 0.000 1.046 2030 R HN -0.160 nan 8.270 nan 0.000 0.508 2031 V N 1.772 121.617 119.914 -0.115 0.000 2.255 2031 V HA -0.280 3.840 4.120 0.000 0.000 0.247 2031 V C 2.416 178.252 176.094 -0.430 0.000 1.051 2031 V CA 2.395 64.601 62.300 -0.157 0.000 1.018 2031 V CB -0.599 31.211 31.823 -0.023 0.000 0.641 2031 V HN 0.590 nan 8.190 nan 0.000 0.445 2032 E N 0.260 120.051 120.200 -0.681 0.000 2.085 2032 E HA -0.313 4.037 4.350 0.000 0.000 0.194 2032 E C 2.181 178.382 176.600 -0.665 0.000 0.994 2032 E CA 1.707 57.384 56.400 -1.205 0.000 0.801 2032 E CB -0.126 28.968 29.700 -1.011 0.000 0.743 2032 E HN 0.497 nan 8.360 nan 0.000 0.453 2033 K N 0.358 120.533 120.400 -0.375 0.000 2.063 2033 K HA -0.111 4.209 4.320 0.000 0.000 0.208 2033 K C 2.033 178.517 176.600 -0.193 0.000 1.048 2033 K CA 1.694 57.842 56.287 -0.231 0.000 0.928 2033 K CB -0.136 32.275 32.500 -0.148 0.000 0.713 2033 K HN 0.236 nan 8.250 nan 0.000 0.442 2034 I N -0.019 120.441 120.570 -0.183 0.000 2.202 2034 I HA -0.248 3.922 4.170 0.000 0.000 0.242 2034 I C 2.268 178.311 176.117 -0.123 0.000 1.091 2034 I CA 1.070 62.298 61.300 -0.120 0.000 1.368 2034 I CB -0.367 37.583 38.000 -0.083 0.000 1.058 2034 I HN 0.161 nan 8.210 nan 0.000 0.410 2035 A N 0.919 123.629 122.820 -0.184 0.000 1.917 2035 A HA -0.245 4.075 4.320 0.000 0.000 0.219 2035 A C 2.462 179.985 177.584 -0.101 0.000 1.182 2035 A CA 2.054 54.019 52.037 -0.121 0.000 0.633 2035 A CB -0.899 18.010 19.000 -0.152 0.000 0.819 2035 A HN 0.458 nan 8.150 nan 0.000 0.448 2036 A N -0.755 121.956 122.820 -0.181 0.000 2.172 2036 A HA 0.119 4.439 4.320 0.000 0.000 0.216 2036 A C 1.868 179.417 177.584 -0.059 0.000 1.154 2036 A CA 1.111 53.080 52.037 -0.113 0.000 0.701 2036 A CB -0.503 18.407 19.000 -0.150 0.000 0.789 2036 A HN 0.493 nan 8.150 nan 0.000 0.465 2037 L N -1.340 119.848 121.223 -0.058 0.000 2.599 2037 L HA 0.121 4.461 4.340 0.000 0.000 0.230 2037 L C 1.108 177.967 176.870 -0.017 0.000 1.141 2037 L CA 0.033 54.853 54.840 -0.033 0.000 0.877 2037 L CB -0.305 41.734 42.059 -0.033 0.000 1.009 2037 L HN 0.435 nan 8.230 nan 0.000 0.447 2038 M N -1.664 117.930 119.600 -0.010 0.000 2.840 2038 M HA 0.314 4.794 4.480 0.000 0.000 0.283 2038 M C -0.689 175.622 176.300 0.017 0.000 1.136 2038 M CA -0.797 54.505 55.300 0.005 0.000 0.857 2038 M CB 1.120 33.726 32.600 0.010 0.000 1.644 2038 M HN -0.180 nan 8.290 nan 0.000 0.520 2039 D N 1.139 121.552 120.400 0.023 0.000 2.229 2039 D HA 0.207 4.847 4.640 0.000 0.000 0.249 2039 D C -0.553 175.775 176.300 0.046 0.000 1.027 2039 D CA -0.159 53.858 54.000 0.029 0.000 0.923 2039 D CB 0.910 41.722 40.800 0.020 0.000 1.174 2039 D HN 0.431 nan 8.370 nan 0.000 0.443 2040 K N -0.318 120.112 120.400 0.051 0.000 3.278 2040 K HA -0.131 4.189 4.320 0.000 0.000 0.270 2040 K C -2.312 174.349 176.600 0.101 0.000 0.955 2040 K CA 0.121 56.445 56.287 0.062 0.000 0.723 2040 K CB -1.580 30.944 32.500 0.040 0.000 1.382 2040 K HN 0.388 nan 8.250 nan 0.000 0.461 2041 P HA 0.143 nan 4.420 nan 0.000 0.271 2041 P C -0.245 177.252 177.300 0.329 0.000 1.220 2041 P CA -0.041 63.240 63.100 0.302 0.000 0.768 2041 P CB 1.151 33.038 31.700 0.311 0.000 0.848 2042 V N 3.923 123.986 119.914 0.248 0.000 2.668 2042 V HA 0.239 4.359 4.120 0.000 0.000 0.304 2042 V C 0.296 176.000 176.094 -0.650 0.000 1.071 2042 V CA -0.861 61.337 62.300 -0.169 0.000 0.894 2042 V CB 2.186 33.950 31.823 -0.097 0.000 1.008 2042 V HN 0.502 nan 8.190 nan 0.000 0.425 2043 K N 3.681 123.224 120.400 -1.429 0.000 2.368 2043 K HA 0.417 4.737 4.320 0.000 0.000 0.282 2043 K C 0.185 176.376 176.600 -0.682 0.000 1.035 2043 K CA -0.217 55.060 56.287 -1.683 0.000 0.973 2043 K CB 0.869 32.472 32.500 -1.494 0.000 0.957 2043 K HN 0.647 nan 8.250 nan 0.000 0.474 2044 L N 2.503 123.462 121.223 -0.440 0.000 2.349 2044 L HA 0.306 4.646 4.340 0.000 0.000 0.200 2044 L C 0.412 177.200 176.870 -0.137 0.000 1.064 2044 L CA 0.134 54.854 54.840 -0.200 0.000 0.821 2044 L CB 0.442 42.449 42.059 -0.088 0.000 1.027 2044 L HN 0.747 nan 8.230 nan 0.000 0.476 2045 A N -1.151 121.601 122.820 -0.113 0.000 2.597 2045 A HA 0.610 4.930 4.320 0.000 0.000 0.292 2045 A C -1.220 176.317 177.584 -0.078 0.000 1.057 2045 A CA -0.293 51.701 52.037 -0.072 0.000 0.674 2045 A CB 1.672 20.715 19.000 0.072 0.000 1.278 2045 A HN -0.151 nan 8.150 nan 0.000 0.416 2046 S N 0.792 116.339 115.700 -0.255 0.000 2.750 2046 S HA 0.675 5.145 4.470 0.000 0.000 0.276 2046 S C -1.704 172.615 174.600 -0.468 0.000 1.165 2046 S CA -0.460 57.620 58.200 -0.200 0.000 1.047 2046 S CB 0.382 63.509 63.200 -0.122 0.000 1.056 2046 S HN 0.736 nan 8.310 nan 0.000 0.481 2047 H N 3.265 122.403 119.070 0.112 0.000 2.947 2047 H HA 0.494 5.050 4.556 0.000 0.000 0.354 2047 H C 0.503 175.905 175.328 0.123 0.000 1.085 2047 H CA -0.484 55.629 56.048 0.108 0.000 1.253 2047 H CB 1.594 31.427 29.762 0.120 0.000 1.757 2047 H HN 0.772 nan 8.280 nan 0.000 0.523 2048 R N 0.484 121.074 120.500 0.149 0.000 3.750 2048 R HA -0.241 4.099 4.340 0.000 0.000 0.495 2048 R C 1.172 177.385 176.300 -0.145 0.000 0.241 2048 R CA 2.039 58.142 56.100 0.005 0.000 1.551 2048 R CB -0.709 29.610 30.300 0.031 0.000 0.956 2048 R HN 0.770 nan 8.270 nan 0.000 0.584 2049 E N 1.663 121.592 120.200 -0.451 0.000 2.476 2049 E HA 0.007 4.357 4.350 0.000 0.000 0.191 2049 E C -0.303 176.031 176.600 -0.444 0.000 1.064 2049 E CA 0.593 56.712 56.400 -0.469 0.000 0.866 2049 E CB 0.160 29.552 29.700 -0.513 0.000 0.952 2049 E HN 0.295 nan 8.360 nan 0.000 0.492 2050 F N 1.636 121.631 119.950 0.075 0.000 2.313 2050 F HA 0.336 4.863 4.527 0.000 0.000 0.369 2050 F C 0.228 176.083 175.800 0.092 0.000 1.109 2050 F CA -0.617 57.437 58.000 0.090 0.000 1.132 2050 F CB 1.575 40.642 39.000 0.112 0.000 1.291 2050 F HN -0.337 nan 8.300 nan 0.000 0.496 2051 T N 2.134 116.827 114.554 0.232 0.000 2.779 2051 T HA 0.539 4.889 4.350 0.000 0.000 0.280 2051 T C -0.176 174.676 174.700 0.253 0.000 0.987 2051 T CA -0.504 61.720 62.100 0.205 0.000 0.966 2051 T CB 1.188 70.163 68.868 0.179 0.000 0.933 2051 T HN 0.429 nan 8.240 nan 0.000 0.442 2052 T N 3.455 118.152 114.554 0.238 0.000 2.841 2052 T HA 0.503 4.853 4.350 0.000 0.000 0.285 2052 T C -1.166 173.686 174.700 0.253 0.000 0.991 2052 T CA -0.622 61.616 62.100 0.230 0.000 0.966 2052 T CB 0.720 69.672 68.868 0.140 0.000 0.962 2052 T HN 0.440 nan 8.240 nan 0.000 0.438 2053 W N 1.769 123.085 121.300 0.027 0.000 2.706 2053 W HA 0.682 5.342 4.660 0.000 0.000 0.346 2053 W C 0.222 176.747 176.519 0.010 0.000 1.071 2053 W CA -1.127 56.227 57.345 0.014 0.000 1.206 2053 W CB 1.262 30.728 29.460 0.010 0.000 1.413 2053 W HN 0.386 nan 8.180 nan 0.000 0.542 2054 R N 1.514 122.137 120.500 0.205 0.000 2.637 2054 R HA 0.866 5.206 4.340 0.000 0.000 0.291 2054 R C -0.661 175.731 176.300 0.153 0.000 0.963 2054 R CA -0.357 55.819 56.100 0.127 0.000 0.901 2054 R CB 1.458 31.788 30.300 0.050 0.000 1.160 2054 R HN 0.652 nan 8.270 nan 0.000 0.457 2055 A N 2.549 125.434 122.820 0.108 0.000 2.525 2055 A HA 0.522 4.842 4.320 0.000 0.000 0.291 2055 A C -1.504 176.109 177.584 0.049 0.000 1.268 2055 A CA -0.674 51.418 52.037 0.091 0.000 0.712 2055 A CB 1.735 20.789 19.000 0.091 0.000 1.320 2055 A HN 0.717 nan 8.150 nan 0.000 0.456 2056 E N -0.710 119.512 120.200 0.038 0.000 2.266 2056 E HA 0.588 4.938 4.350 0.000 0.000 0.268 2056 E C -2.254 174.354 176.600 0.013 0.000 0.879 2056 E CA -0.591 55.822 56.400 0.021 0.000 0.762 2056 E CB 1.998 31.709 29.700 0.019 0.000 1.199 2056 E HN 0.445 nan 8.360 nan 0.000 0.422 2057 L N 4.189 125.415 121.223 0.005 0.000 2.441 2057 L HA 0.324 4.664 4.340 0.000 0.000 0.270 2057 L C -1.257 175.611 176.870 -0.003 0.000 0.973 2057 L CA -0.125 54.715 54.840 -0.000 0.000 0.842 2057 L CB 1.461 43.518 42.059 -0.005 0.000 1.239 2057 L HN 0.619 nan 8.230 nan 0.000 0.406 2058 D N 4.475 124.874 120.400 -0.003 0.000 2.701 2058 D HA -0.200 4.440 4.640 0.000 0.000 0.235 2058 D C 1.159 177.457 176.300 -0.003 0.000 1.155 2058 D CA 1.596 55.593 54.000 -0.004 0.000 0.649 2058 D CB -0.964 39.832 40.800 -0.007 0.000 1.050 2058 D HN 1.210 nan 8.370 nan 0.000 0.425 2059 G N -0.942 107.858 108.800 -0.000 0.000 2.162 2059 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 2059 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 2059 G C 0.199 175.098 174.900 -0.001 0.000 0.976 2059 G CA 0.697 45.797 45.100 0.000 0.000 0.655 2059 G HN 0.412 nan 8.290 nan 0.000 0.533 2060 K N 0.893 121.292 120.400 -0.003 0.000 2.270 2060 K HA 0.462 4.782 4.320 0.000 0.000 0.255 2060 K C -2.682 173.916 176.600 -0.004 0.000 0.936 2060 K CA -1.994 54.290 56.287 -0.006 0.000 0.809 2060 K CB 2.827 35.321 32.500 -0.011 0.000 1.131 2060 K HN 0.061 nan 8.250 nan 0.000 0.427 2061 P HA 0.140 nan 4.420 nan 0.000 0.271 2061 P C -0.529 176.767 177.300 -0.008 0.000 1.216 2061 P CA -0.285 62.814 63.100 -0.001 0.000 0.771 2061 P CB 0.828 32.526 31.700 -0.003 0.000 0.864 2062 V N 4.799 124.714 119.914 0.002 0.000 2.760 2062 V HA 0.342 4.462 4.120 0.000 0.000 0.309 2062 V C 0.106 176.208 176.094 0.014 0.000 1.077 2062 V CA -0.783 61.513 62.300 -0.007 0.000 0.910 2062 V CB 2.459 34.279 31.823 -0.005 0.000 1.008 2062 V HN 0.405 nan 8.190 nan 0.000 0.424 2063 I N 4.144 124.713 120.570 -0.001 0.000 2.437 2063 I HA 0.517 4.687 4.170 0.000 0.000 0.298 2063 I C -0.285 175.862 176.117 0.049 0.000 0.984 2063 I CA -0.477 60.842 61.300 0.032 0.000 1.214 2063 I CB 1.930 39.934 38.000 0.008 0.000 1.365 2063 I HN 0.258 nan 8.210 nan 0.000 0.469 2064 V N 5.358 125.333 119.914 0.101 0.000 2.444 2064 V HA 0.425 4.545 4.120 0.000 0.000 0.294 2064 V C -0.429 175.751 176.094 0.143 0.000 1.022 2064 V CA -0.505 61.855 62.300 0.099 0.000 0.850 2064 V CB 2.042 33.908 31.823 0.072 0.000 0.992 2064 V HN 0.903 nan 8.190 nan 0.000 0.426 2065 C N 5.072 124.452 119.300 0.134 0.000 2.551 2065 C HA 0.720 5.180 4.460 0.000 0.000 0.332 2065 C C 0.406 175.500 174.990 0.173 0.000 1.139 2065 C CA -0.358 58.763 59.018 0.171 0.000 1.328 2065 C CB 1.061 28.902 27.740 0.168 0.000 1.903 2065 C HN 1.039 nan 8.230 nan 0.000 0.459 2066 S N 3.341 119.153 115.700 0.185 0.000 2.584 2066 S HA 0.420 4.890 4.470 0.000 0.000 0.273 2066 S C 0.900 175.639 174.600 0.231 0.000 1.311 2066 S CA 0.350 58.642 58.200 0.153 0.000 1.034 2066 S CB 1.391 64.646 63.200 0.092 0.000 0.939 2066 S HN 1.049 nan 8.310 nan 0.000 0.513 2067 T N -0.912 113.739 114.554 0.161 0.000 3.037 2067 T HA 0.514 4.864 4.350 0.000 0.000 0.251 2067 T C 1.222 175.971 174.700 0.082 0.000 1.079 2067 T CA 0.247 62.470 62.100 0.205 0.000 1.067 2067 T CB -0.941 68.004 68.868 0.129 0.000 0.948 2067 T HN 1.876 nan 8.240 nan 0.000 0.496 2068 G N 1.546 110.330 108.800 -0.027 0.000 2.741 2068 G HA2 -0.130 3.830 3.960 0.000 0.000 0.222 2068 G HA3 -0.130 3.830 3.960 0.000 0.000 0.222 2068 G C -0.611 174.266 174.900 -0.037 0.000 1.364 2068 G CA -0.489 44.552 45.100 -0.098 0.000 0.866 2068 G HN 0.620 nan 8.290 nan 0.000 0.555 2069 I N 2.185 122.727 120.570 -0.047 0.000 2.371 2069 I HA 0.537 4.707 4.170 0.000 0.000 0.290 2069 I C 1.062 177.174 176.117 -0.009 0.000 1.028 2069 I CA 0.896 62.183 61.300 -0.022 0.000 1.345 2069 I CB 0.580 38.559 38.000 -0.035 0.000 1.407 2069 I HN 1.989 nan 8.210 nan 0.000 0.501 2070 G N 3.901 112.705 108.800 0.007 0.000 2.629 2070 G HA2 -0.082 3.878 3.960 0.000 0.000 0.686 2070 G HA3 -0.082 3.878 3.960 0.000 0.000 0.686 2070 G C 0.521 175.429 174.900 0.015 0.000 1.232 2070 G CA -0.478 44.628 45.100 0.010 0.000 0.803 2070 G HN 0.898 nan 8.290 nan 0.000 0.638 2071 G N 0.513 109.319 108.800 0.010 0.000 2.476 2071 G HA2 0.012 3.972 3.960 0.000 0.000 0.218 2071 G HA3 0.012 3.972 3.960 0.000 0.000 0.218 2071 G C 0.146 175.055 174.900 0.016 0.000 1.164 2071 G CA 2.239 47.345 45.100 0.010 0.000 0.768 2071 G HN 0.696 nan 8.290 nan 0.000 0.560 2072 P HA -0.142 nan 4.420 nan 0.000 0.213 2072 P C 2.499 179.829 177.300 0.050 0.000 1.170 2072 P CA 2.593 65.698 63.100 0.007 0.000 0.902 2072 P CB -0.283 31.416 31.700 -0.002 0.000 0.789 2073 S N -2.155 113.589 115.700 0.074 0.000 2.402 2073 S HA -0.112 4.358 4.470 0.000 0.000 0.229 2073 S C 1.936 176.675 174.600 0.231 0.000 1.021 2073 S CA 1.725 60.036 58.200 0.186 0.000 0.974 2073 S CB -1.929 61.331 63.200 0.100 0.000 0.800 2073 S HN 0.094 nan 8.310 nan 0.000 0.484 2074 T N 3.128 117.753 114.554 0.117 0.000 2.684 2074 T HA -0.128 4.222 4.350 0.000 0.000 0.267 2074 T C 2.350 177.055 174.700 0.008 0.000 1.036 2074 T CA 1.905 64.046 62.100 0.069 0.000 1.148 2074 T CB -0.762 68.115 68.868 0.015 0.000 0.863 2074 T HN 0.800 nan 8.240 nan 0.000 0.436 2075 S N 1.330 117.042 115.700 0.021 0.000 2.383 2075 S HA -0.070 4.400 4.470 0.000 0.000 0.229 2075 S C 2.074 176.681 174.600 0.011 0.000 1.030 2075 S CA 0.934 59.154 58.200 0.032 0.000 1.002 2075 S CB -0.797 62.516 63.200 0.188 0.000 0.829 2075 S HN 0.514 nan 8.310 nan 0.000 0.467 2076 I N 2.209 122.772 120.570 -0.012 0.000 2.202 2076 I HA -0.115 4.055 4.170 0.000 0.000 0.242 2076 I C 3.138 179.135 176.117 -0.200 0.000 1.091 2076 I CA 1.140 62.365 61.300 -0.125 0.000 1.368 2076 I CB -0.743 37.099 38.000 -0.262 0.000 1.058 2076 I HN 0.437 nan 8.210 nan 0.000 0.410 2077 A N 0.433 123.140 122.820 -0.189 0.000 1.883 2077 A HA -0.162 4.158 4.320 0.000 0.000 0.217 2077 A C 2.419 179.971 177.584 -0.053 0.000 1.186 2077 A CA 1.910 53.845 52.037 -0.170 0.000 0.624 2077 A CB -1.004 18.025 19.000 0.049 0.000 0.822 2077 A HN 0.246 nan 8.150 nan 0.000 0.444 2078 V N 0.108 119.955 119.914 -0.112 0.000 2.358 2078 V HA -0.224 3.896 4.120 0.000 0.000 0.246 2078 V C 2.616 178.622 176.094 -0.147 0.000 1.047 2078 V CA 2.380 64.510 62.300 -0.283 0.000 1.035 2078 V CB -0.737 30.710 31.823 -0.626 0.000 0.658 2078 V HN 0.747 nan 8.190 nan 0.000 0.452 2079 E N 0.995 121.137 120.200 -0.097 0.000 2.058 2079 E HA -0.251 4.099 4.350 0.000 0.000 0.194 2079 E C 2.081 178.702 176.600 0.036 0.000 0.997 2079 E CA 2.041 58.434 56.400 -0.011 0.000 0.801 2079 E CB -0.274 29.454 29.700 0.046 0.000 0.746 2079 E HN 0.684 nan 8.360 nan 0.000 0.450 2080 E N -0.350 119.862 120.200 0.021 0.000 2.158 2080 E HA -0.051 4.299 4.350 0.000 0.000 0.191 2080 E C 2.257 178.897 176.600 0.066 0.000 0.982 2080 E CA 0.722 57.143 56.400 0.036 0.000 0.823 2080 E CB -0.066 29.634 29.700 0.001 0.000 0.766 2080 E HN 0.287 nan 8.360 nan 0.000 0.468 2081 L N 0.683 121.973 121.223 0.112 0.000 2.093 2081 L HA -0.153 4.187 4.340 0.000 0.000 0.208 2081 L C 2.574 179.558 176.870 0.190 0.000 1.085 2081 L CA 0.937 55.878 54.840 0.169 0.000 0.755 2081 L CB -0.405 41.836 42.059 0.303 0.000 0.904 2081 L HN 0.137 nan 8.230 nan 0.000 0.435 2082 A N -0.513 122.467 122.820 0.266 0.000 1.902 2082 A HA -0.261 4.059 4.320 0.000 0.000 0.217 2082 A C 2.219 179.868 177.584 0.109 0.000 1.181 2082 A CA 1.565 53.733 52.037 0.218 0.000 0.623 2082 A CB -0.472 18.638 19.000 0.182 0.000 0.818 2082 A HN 0.472 nan 8.150 nan 0.000 0.443 2083 Q N -1.198 118.653 119.800 0.085 0.000 2.135 2083 Q HA -0.122 4.218 4.340 0.000 0.000 0.204 2083 Q C 1.415 177.443 176.000 0.047 0.000 0.981 2083 Q CA 1.028 56.867 55.803 0.059 0.000 0.856 2083 Q CB -0.193 28.578 28.738 0.054 0.000 0.902 2083 Q HN 0.471 nan 8.270 nan 0.000 0.425 2084 L N -1.361 119.890 121.223 0.048 0.000 2.554 2084 L HA 0.097 4.437 4.340 0.000 0.000 0.226 2084 L C 1.357 178.239 176.870 0.019 0.000 1.137 2084 L CA 1.576 56.435 54.840 0.031 0.000 0.863 2084 L CB -0.081 41.995 42.059 0.029 0.000 0.985 2084 L HN 0.397 nan 8.230 nan 0.000 0.451 2085 G N -1.467 107.348 108.800 0.025 0.000 2.192 2085 G HA2 -0.180 3.780 3.960 0.000 0.000 0.193 2085 G HA3 -0.180 3.780 3.960 0.000 0.000 0.193 2085 G C 0.374 175.260 174.900 -0.024 0.000 0.999 2085 G CA -0.417 44.688 45.100 0.007 0.000 0.659 2085 G HN 0.072 nan 8.290 nan 0.000 0.503 2086 I N 1.074 121.615 120.570 -0.048 0.000 2.648 2086 I HA 0.273 4.443 4.170 0.000 0.000 0.284 2086 I C 1.324 177.349 176.117 -0.153 0.000 1.153 2086 I CA 0.383 61.562 61.300 -0.202 0.000 1.426 2086 I CB 0.934 38.693 38.000 -0.401 0.000 1.381 2086 I HN 0.103 nan 8.210 nan 0.000 0.571 2087 R N 2.961 123.342 120.500 -0.198 0.000 2.487 2087 R HA 0.204 4.544 4.340 0.000 0.000 0.272 2087 R C -0.305 175.965 176.300 -0.051 0.000 0.928 2087 R CA 0.168 56.245 56.100 -0.037 0.000 1.077 2087 R CB 0.645 30.939 30.300 -0.010 0.000 1.265 2087 R HN 0.548 nan 8.270 nan 0.000 0.537 2088 T N 1.006 115.387 114.554 -0.288 0.000 2.928 2088 T HA 0.574 4.924 4.350 0.000 0.000 0.296 2088 T C -1.060 173.410 174.700 -0.382 0.000 1.000 2088 T CA -0.300 61.700 62.100 -0.165 0.000 0.989 2088 T CB 1.342 70.148 68.868 -0.104 0.000 1.005 2088 T HN -0.147 nan 8.240 nan 0.000 0.442 2089 F N 2.639 122.585 119.950 -0.007 0.000 2.507 2089 F HA 0.574 5.101 4.527 0.000 0.000 0.328 2089 F C -0.321 175.476 175.800 -0.006 0.000 1.136 2089 F CA -1.039 56.958 58.000 -0.006 0.000 0.930 2089 F CB 1.421 40.413 39.000 -0.013 0.000 1.166 2089 F HN 0.214 nan 8.300 nan 0.000 0.436 2090 L N 4.383 125.686 121.223 0.133 0.000 2.316 2090 L HA 0.522 4.862 4.340 0.000 0.000 0.280 2090 L C -0.065 176.856 176.870 0.085 0.000 1.006 2090 L CA -0.642 54.248 54.840 0.082 0.000 0.836 2090 L CB 1.675 43.753 42.059 0.032 0.000 1.221 2090 L HN 0.592 nan 8.230 nan 0.000 0.418 2091 R N 4.079 124.625 120.500 0.077 0.000 2.308 2091 R HA 0.485 4.825 4.340 0.000 0.000 0.305 2091 R C -0.989 175.335 176.300 0.040 0.000 1.053 2091 R CA -0.449 55.689 56.100 0.062 0.000 0.957 2091 R CB 1.240 31.570 30.300 0.050 0.000 1.022 2091 R HN 0.504 nan 8.270 nan 0.000 0.461 2092 I N 4.307 124.899 120.570 0.036 0.000 2.418 2092 I HA 0.495 4.665 4.170 0.000 0.000 0.287 2092 I C -0.675 175.456 176.117 0.024 0.000 1.008 2092 I CA -0.062 61.252 61.300 0.025 0.000 1.104 2092 I CB 1.324 39.334 38.000 0.017 0.000 1.264 2092 I HN 0.869 nan 8.210 nan 0.000 0.438 2093 G N 4.647 113.460 108.800 0.023 0.000 3.015 2093 G HA2 0.680 4.640 3.960 0.000 0.000 0.281 2093 G HA3 0.680 4.640 3.960 0.000 0.000 0.281 2093 G C -0.832 174.083 174.900 0.025 0.000 1.386 2093 G CA -0.397 44.717 45.100 0.024 0.000 0.959 2093 G HN 0.568 nan 8.290 nan 0.000 0.522 2094 T N -2.804 111.767 114.554 0.030 0.000 2.945 2094 T HA 0.738 5.088 4.350 0.000 0.000 0.286 2094 T C -0.284 174.443 174.700 0.045 0.000 1.025 2094 T CA -0.570 61.551 62.100 0.035 0.000 1.039 2094 T CB 2.011 70.900 68.868 0.036 0.000 1.068 2094 T HN 0.880 nan 8.240 nan 0.000 0.497 2095 T N -0.312 114.268 114.554 0.043 0.000 2.853 2095 T HA 0.652 5.002 4.350 0.000 0.000 0.311 2095 T C -0.605 174.116 174.700 0.035 0.000 1.307 2095 T CA -0.426 61.699 62.100 0.041 0.000 1.019 2095 T CB 1.339 70.223 68.868 0.028 0.000 1.264 2095 T HN 1.166 nan 8.240 nan 0.000 0.497 2096 G N 1.572 110.393 108.800 0.035 0.000 2.370 2096 G HA2 0.654 4.614 3.960 0.000 0.000 0.317 2096 G HA3 0.654 4.614 3.960 0.000 0.000 0.317 2096 G C 0.002 174.910 174.900 0.013 0.000 1.162 2096 G CA -0.202 44.914 45.100 0.026 0.000 0.922 2096 G HN 0.988 nan 8.290 nan 0.000 0.454 2097 A N 2.154 124.962 122.820 -0.020 0.000 2.371 2097 A HA 0.554 4.875 4.320 0.000 0.000 0.257 2097 A C 1.061 178.608 177.584 -0.062 0.000 1.089 2097 A CA -0.388 51.607 52.037 -0.070 0.000 0.794 2097 A CB 0.273 19.210 19.000 -0.105 0.000 1.029 2097 A HN 1.310 nan 8.150 nan 0.000 0.488 2098 I N -2.249 118.261 120.570 -0.100 0.000 4.240 2098 I HA 0.258 4.428 4.170 0.000 0.000 0.331 2098 I C -0.185 175.893 176.117 -0.064 0.000 1.381 2098 I CA -0.321 60.940 61.300 -0.065 0.000 1.136 2098 I CB 0.241 38.182 38.000 -0.098 0.000 1.137 2098 I HN 0.317 nan 8.210 nan 0.000 0.411 2099 Q N 2.780 122.505 119.800 -0.125 0.000 2.256 2099 Q HA 0.392 4.732 4.340 0.000 0.000 0.257 2099 Q C -1.815 174.104 176.000 -0.136 0.000 0.936 2099 Q CA -2.144 53.590 55.803 -0.115 0.000 0.903 2099 Q CB 1.853 30.474 28.738 -0.195 0.000 1.263 2099 Q HN 0.041 nan 8.270 nan 0.000 0.440 2100 P HA -0.142 nan 4.420 nan 0.000 0.223 2100 P C 0.685 177.987 177.300 0.003 0.000 1.151 2100 P CA 1.407 64.512 63.100 0.009 0.000 0.787 2100 P CB 0.191 31.924 31.700 0.055 0.000 0.788 2101 H N -1.557 117.479 119.070 -0.057 0.000 2.575 2101 H HA 0.261 4.817 4.556 0.000 0.000 0.267 2101 H C 0.615 175.895 175.328 -0.081 0.000 0.966 2101 H CA -0.402 55.617 56.048 -0.050 0.000 1.165 2101 H CB -0.543 29.192 29.762 -0.045 0.000 1.433 2101 H HN 0.110 nan 8.280 nan 0.000 0.544 2102 I N 3.387 123.565 120.570 -0.653 0.000 2.352 2102 I HA 0.038 4.208 4.170 0.000 0.000 0.290 2102 I C -0.210 175.816 176.117 -0.152 0.000 1.036 2102 I CA -0.360 60.658 61.300 -0.471 0.000 1.336 2102 I CB 0.662 38.307 38.000 -0.592 0.000 1.407 2102 I HN 0.090 nan 8.210 nan 0.000 0.497 2103 N N 5.288 123.978 118.700 -0.017 0.000 2.492 2103 N HA 0.300 5.040 4.740 0.000 0.000 0.289 2103 N C -0.499 175.024 175.510 0.021 0.000 1.133 2103 N CA -0.623 52.434 53.050 0.012 0.000 0.961 2103 N CB 1.928 40.441 38.487 0.043 0.000 1.186 2103 N HN 0.169 nan 8.380 nan 0.000 0.493 2104 V N 1.033 120.955 119.914 0.014 0.000 2.617 2104 V HA 0.201 4.321 4.120 0.000 0.000 0.304 2104 V C 1.498 177.606 176.094 0.024 0.000 1.040 2104 V CA 1.671 63.980 62.300 0.016 0.000 1.149 2104 V CB 0.108 31.938 31.823 0.012 0.000 0.914 2104 V HN 1.063 nan 8.190 nan 0.000 0.487 2105 G N 3.969 112.786 108.800 0.028 0.000 2.232 2105 G HA2 -0.179 3.781 3.960 0.000 0.000 0.226 2105 G HA3 -0.179 3.781 3.960 0.000 0.000 0.226 2105 G C -0.012 174.933 174.900 0.076 0.000 0.996 2105 G CA -0.001 45.119 45.100 0.033 0.000 0.626 2105 G HN 0.661 nan 8.290 nan 0.000 0.509 2106 D N 0.313 120.761 120.400 0.081 0.000 2.368 2106 D HA 0.467 5.107 4.640 0.000 0.000 0.240 2106 D C 0.557 176.911 176.300 0.091 0.000 1.169 2106 D CA 0.166 54.229 54.000 0.105 0.000 0.906 2106 D CB 1.599 42.502 40.800 0.172 0.000 1.187 2106 D HN 0.230 nan 8.370 nan 0.000 0.435 2107 V N 2.207 122.161 119.914 0.067 0.000 2.435 2107 V HA 0.358 4.478 4.120 0.000 0.000 0.290 2107 V C 0.038 176.161 176.094 0.049 0.000 1.030 2107 V CA -0.704 61.622 62.300 0.044 0.000 0.881 2107 V CB 1.260 33.087 31.823 0.007 0.000 0.983 2107 V HN 0.271 nan 8.190 nan 0.000 0.445 2108 L N 5.304 126.556 121.223 0.049 0.000 2.325 2108 L HA 0.606 4.946 4.340 0.000 0.000 0.281 2108 L C -0.741 176.146 176.870 0.028 0.000 1.004 2108 L CA -0.766 54.107 54.840 0.055 0.000 0.823 2108 L CB 2.030 44.117 42.059 0.047 0.000 1.236 2108 L HN 0.335 nan 8.230 nan 0.000 0.415 2109 V N 1.939 121.867 119.914 0.024 0.000 2.350 2109 V HA 0.261 4.381 4.120 0.000 0.000 0.276 2109 V C 0.358 176.460 176.094 0.013 0.000 1.028 2109 V CA -0.385 61.921 62.300 0.010 0.000 0.860 2109 V CB 1.610 33.430 31.823 -0.005 0.000 0.990 2109 V HN 0.724 nan 8.190 nan 0.000 0.453 2110 T N 3.740 118.299 114.554 0.008 0.000 2.761 2110 T HA 0.170 4.520 4.350 0.000 0.000 0.296 2110 T C 1.383 176.089 174.700 0.010 0.000 0.934 2110 T CA 0.258 62.360 62.100 0.004 0.000 1.091 2110 T CB 1.116 69.983 68.868 -0.002 0.000 0.896 2110 T HN 0.968 nan 8.240 nan 0.000 0.515 2111 T N 0.850 115.412 114.554 0.014 0.000 2.937 2111 T HA 0.463 4.813 4.350 0.000 0.000 0.260 2111 T C 0.738 175.451 174.700 0.021 0.000 1.051 2111 T CA 0.286 62.402 62.100 0.026 0.000 1.141 2111 T CB 0.168 69.057 68.868 0.035 0.000 0.879 2111 T HN 0.749 nan 8.240 nan 0.000 0.459 2112 A N -0.027 122.795 122.820 0.004 0.000 2.601 2112 A HA 0.687 5.007 4.320 0.000 0.000 0.291 2112 A C -1.072 176.496 177.584 -0.026 0.000 1.075 2112 A CA -0.841 51.194 52.037 -0.003 0.000 0.671 2112 A CB 1.324 20.320 19.000 -0.007 0.000 1.277 2112 A HN 0.204 nan 8.150 nan 0.000 0.417 2113 S N -0.247 115.436 115.700 -0.028 0.000 2.513 2113 S HA 0.579 5.049 4.470 0.000 0.000 0.299 2113 S C -0.405 174.143 174.600 -0.086 0.000 1.087 2113 S CA -0.538 57.626 58.200 -0.060 0.000 1.012 2113 S CB 1.672 64.849 63.200 -0.038 0.000 1.044 2113 S HN 0.882 nan 8.310 nan 0.000 0.485 2114 V N 3.495 123.303 119.914 -0.177 0.000 2.479 2114 V HA 0.167 4.287 4.120 0.000 0.000 0.281 2114 V C 0.623 176.635 176.094 -0.136 0.000 1.031 2114 V CA -0.002 62.153 62.300 -0.242 0.000 1.038 2114 V CB -0.173 31.283 31.823 -0.612 0.000 0.981 2114 V HN 0.696 nan 8.190 nan 0.000 0.478 2115 R N 5.454 125.931 120.500 -0.039 0.000 2.612 2115 R HA 0.305 4.645 4.340 0.000 0.000 0.273 2115 R C 0.018 176.367 176.300 0.081 0.000 1.376 2115 R CA -0.103 56.017 56.100 0.033 0.000 1.171 2115 R CB 0.033 30.376 30.300 0.072 0.000 1.151 2115 R HN 0.672 nan 8.270 nan 0.000 0.560 2116 L N 2.351 123.629 121.223 0.092 0.000 2.912 2116 L HA 0.154 4.494 4.340 0.000 0.000 0.240 2116 L C 0.228 177.196 176.870 0.164 0.000 1.262 2116 L CA -0.287 54.678 54.840 0.208 0.000 1.058 2116 L CB -0.608 41.619 42.059 0.280 0.000 1.383 2116 L HN 0.523 nan 8.230 nan 0.000 0.512 2117 D N -1.274 119.194 120.400 0.113 0.000 2.467 2117 D HA 0.304 4.944 4.640 0.000 0.000 0.245 2117 D C 0.712 177.060 176.300 0.079 0.000 1.038 2117 D CA -0.384 53.663 54.000 0.079 0.000 1.038 2117 D CB 2.057 42.888 40.800 0.051 0.000 1.278 2117 D HN -0.062 nan 8.370 nan 0.000 0.564 2118 G N -1.030 107.794 108.800 0.040 0.000 2.673 2118 G HA2 0.222 4.182 3.960 0.000 0.000 0.208 2118 G HA3 0.222 4.182 3.960 0.000 0.000 0.208 2118 G C 1.268 176.133 174.900 -0.059 0.000 1.128 2118 G CA 0.611 45.727 45.100 0.028 0.000 0.805 2118 G HN 0.609 nan 8.290 nan 0.000 0.526 2119 A N 1.729 124.482 122.820 -0.113 0.000 1.929 2119 A HA 0.030 4.350 4.320 0.000 0.000 0.216 2119 A C 2.690 180.308 177.584 0.057 0.000 1.176 2119 A CA 2.260 54.173 52.037 -0.207 0.000 0.628 2119 A CB -0.712 18.243 19.000 -0.075 0.000 0.816 2119 A HN 0.700 nan 8.150 nan 0.000 0.444 2120 S N 0.578 116.359 115.700 0.135 0.000 2.374 2120 S HA -0.193 4.277 4.470 0.000 0.000 0.227 2120 S C 1.762 176.499 174.600 0.228 0.000 1.037 2120 S CA 1.663 59.995 58.200 0.221 0.000 1.024 2120 S CB -0.921 62.363 63.200 0.139 0.000 0.861 2120 S HN 0.449 nan 8.310 nan 0.000 0.456 2121 L N 0.838 122.169 121.223 0.181 0.000 2.349 2121 L HA -0.070 4.270 4.340 0.000 0.000 0.220 2121 L C 2.403 179.359 176.870 0.143 0.000 1.130 2121 L CA 1.307 56.247 54.840 0.166 0.000 0.791 2121 L CB -0.771 41.389 42.059 0.168 0.000 0.918 2121 L HN 0.527 nan 8.230 nan 0.000 0.444 2122 H N -2.022 116.966 119.070 -0.137 0.000 2.551 2122 H HA 0.029 4.585 4.556 0.000 0.000 0.266 2122 H C 1.310 176.254 175.328 -0.641 0.000 0.977 2122 H CA 0.423 56.239 56.048 -0.386 0.000 1.163 2122 H CB 0.431 29.891 29.762 -0.504 0.000 1.381 2122 H HN 0.336 nan 8.280 nan 0.000 0.581 2123 F N -0.154 119.817 119.950 0.034 0.000 2.619 2123 F HA 0.424 4.951 4.527 0.000 0.000 0.281 2123 F C 0.900 176.609 175.800 -0.151 0.000 1.065 2123 F CA 0.031 57.990 58.000 -0.068 0.000 1.304 2123 F CB 0.914 39.856 39.000 -0.097 0.000 1.059 2123 F HN -0.046 nan 8.300 nan 0.000 0.648 2124 A N 0.279 123.113 122.820 0.023 0.000 2.574 2124 A HA 0.643 4.963 4.320 0.000 0.000 0.297 2124 A C -2.781 174.819 177.584 0.027 0.000 1.062 2124 A CA -1.445 50.536 52.037 -0.093 0.000 0.686 2124 A CB 0.685 19.422 19.000 -0.439 0.000 1.285 2124 A HN -0.176 nan 8.150 nan 0.000 0.403 2125 P HA 0.140 nan 4.420 nan 0.000 0.273 2125 P C 0.832 178.214 177.300 0.137 0.000 1.250 2125 P CA -0.331 62.820 63.100 0.084 0.000 0.793 2125 P CB 0.656 32.401 31.700 0.075 0.000 1.011 2126 L N 1.312 122.603 121.223 0.114 0.000 2.127 2126 L HA -0.183 4.157 4.340 0.000 0.000 0.211 2126 L C 2.211 179.162 176.870 0.135 0.000 1.089 2126 L CA 1.843 56.756 54.840 0.122 0.000 0.757 2126 L CB -1.368 40.749 42.059 0.096 0.000 0.899 2126 L HN 0.443 nan 8.230 nan 0.000 0.434 2127 E N -0.989 119.288 120.200 0.128 0.000 2.338 2127 E HA -0.250 4.100 4.350 0.000 0.000 0.197 2127 E C 0.771 177.446 176.600 0.125 0.000 1.007 2127 E CA 0.154 56.618 56.400 0.107 0.000 0.849 2127 E CB -0.785 28.965 29.700 0.084 0.000 0.774 2127 E HN 0.445 nan 8.360 nan 0.000 0.506 2128 F N 4.036 124.009 119.950 0.038 0.000 2.456 2128 F HA 0.229 4.756 4.527 0.000 0.000 0.358 2128 F C -2.036 173.783 175.800 0.032 0.000 1.095 2128 F CA -2.613 55.408 58.000 0.036 0.000 1.216 2128 F CB 0.775 39.802 39.000 0.045 0.000 1.125 2128 F HN -0.173 nan 8.300 nan 0.000 0.549 2129 P HA 0.145 nan 4.420 nan 0.000 0.281 2129 P C -1.191 176.146 177.300 0.062 0.000 1.252 2129 P CA -0.391 62.633 63.100 -0.126 0.000 0.778 2129 P CB 1.272 32.826 31.700 -0.243 0.000 0.895 2130 A N 3.955 126.836 122.820 0.101 0.000 3.037 2130 A HA 0.253 4.573 4.320 0.000 0.000 0.272 2130 A C 0.256 177.875 177.584 0.059 0.000 1.723 2130 A CA -0.324 51.782 52.037 0.114 0.000 1.413 2130 A CB -0.958 18.087 19.000 0.075 0.000 1.112 2130 A HN 0.466 nan 8.150 nan 0.000 0.606 2131 V N 1.971 121.921 119.914 0.060 0.000 2.481 2131 V HA 0.670 4.790 4.120 0.000 0.000 0.286 2131 V C 0.665 176.794 176.094 0.058 0.000 1.042 2131 V CA -0.236 62.084 62.300 0.033 0.000 0.928 2131 V CB 1.250 33.068 31.823 -0.009 0.000 0.986 2131 V HN 0.909 nan 8.190 nan 0.000 0.462 2132 A N 4.417 127.268 122.820 0.051 0.000 2.386 2132 A HA 0.334 4.654 4.320 0.000 0.000 0.248 2132 A C 0.152 177.786 177.584 0.083 0.000 1.082 2132 A CA -0.081 51.991 52.037 0.058 0.000 0.789 2132 A CB 0.063 19.088 19.000 0.042 0.000 1.025 2132 A HN 1.049 nan 8.150 nan 0.000 0.490 2133 D N 0.222 120.673 120.400 0.085 0.000 2.424 2133 D HA 0.106 4.746 4.640 0.000 0.000 0.244 2133 D C 0.672 177.046 176.300 0.125 0.000 1.134 2133 D CA 0.061 54.126 54.000 0.109 0.000 0.881 2133 D CB 0.168 41.022 40.800 0.090 0.000 1.191 2133 D HN 0.414 nan 8.370 nan 0.000 0.445 2134 F N 2.675 122.635 119.950 0.016 0.000 2.146 2134 F HA -0.061 4.466 4.527 0.000 0.000 0.298 2134 F C 1.844 177.650 175.800 0.009 0.000 1.096 2134 F CA 1.220 59.226 58.000 0.009 0.000 1.275 2134 F CB 0.138 39.142 39.000 0.006 0.000 1.008 2134 F HN 0.525 nan 8.300 nan 0.000 0.480 2135 E N -0.414 119.754 120.200 -0.053 0.000 2.077 2135 E HA -0.225 4.125 4.350 0.000 0.000 0.193 2135 E C 2.324 178.832 176.600 -0.153 0.000 0.989 2135 E CA 1.497 57.809 56.400 -0.147 0.000 0.800 2135 E CB -0.447 29.247 29.700 -0.010 0.000 0.746 2135 E HN 0.452 nan 8.360 nan 0.000 0.452 2136 C N 0.376 119.631 119.300 -0.076 0.000 2.432 2136 C HA -0.108 4.352 4.460 0.000 0.000 0.277 2136 C C 2.875 177.809 174.990 -0.093 0.000 1.249 2136 C CA 1.134 60.118 59.018 -0.057 0.000 1.725 2136 C CB -0.950 26.787 27.740 -0.003 0.000 2.028 2136 C HN 0.506 nan 8.230 nan 0.000 0.477 2137 T N 0.664 115.152 114.554 -0.109 0.000 2.720 2137 T HA -0.183 4.167 4.350 0.000 0.000 0.268 2137 T C 1.777 176.364 174.700 -0.189 0.000 1.037 2137 T CA 2.240 64.270 62.100 -0.117 0.000 1.144 2137 T CB -0.553 68.269 68.868 -0.076 0.000 0.864 2137 T HN 0.605 nan 8.240 nan 0.000 0.444 2138 T N 1.984 116.329 114.554 -0.348 0.000 2.652 2138 T HA -0.069 4.281 4.350 0.000 0.000 0.267 2138 T C 2.409 176.993 174.700 -0.194 0.000 1.039 2138 T CA 1.277 63.168 62.100 -0.348 0.000 1.153 2138 T CB -0.672 67.868 68.868 -0.547 0.000 0.863 2138 T HN 0.447 nan 8.240 nan 0.000 0.428 2139 A N 1.193 123.915 122.820 -0.163 0.000 1.892 2139 A HA -0.083 4.237 4.320 0.000 0.000 0.218 2139 A C 2.337 179.872 177.584 -0.083 0.000 1.188 2139 A CA 1.502 53.477 52.037 -0.103 0.000 0.631 2139 A CB -0.986 17.965 19.000 -0.081 0.000 0.822 2139 A HN 0.482 nan 8.150 nan 0.000 0.447 2140 L N -0.826 120.349 121.223 -0.079 0.000 2.017 2140 L HA -0.167 4.173 4.340 0.000 0.000 0.208 2140 L C 2.583 179.414 176.870 -0.065 0.000 1.073 2140 L CA 1.222 56.026 54.840 -0.060 0.000 0.745 2140 L CB -0.570 41.462 42.059 -0.046 0.000 0.894 2140 L HN 0.261 nan 8.230 nan 0.000 0.432 2141 V N -0.269 119.599 119.914 -0.076 0.000 2.295 2141 V HA -0.303 3.817 4.120 0.000 0.000 0.246 2141 V C 2.402 178.454 176.094 -0.070 0.000 1.049 2141 V CA 1.945 64.203 62.300 -0.069 0.000 1.024 2141 V CB -0.379 31.402 31.823 -0.071 0.000 0.648 2141 V HN 0.412 nan 8.190 nan 0.000 0.447 2142 E N -0.246 119.908 120.200 -0.076 0.000 2.110 2142 E HA -0.160 4.190 4.350 0.000 0.000 0.193 2142 E C 2.263 178.826 176.600 -0.062 0.000 0.988 2142 E CA 1.263 57.623 56.400 -0.067 0.000 0.804 2142 E CB -0.355 29.304 29.700 -0.069 0.000 0.745 2142 E HN 0.587 nan 8.360 nan 0.000 0.458 2143 A N 0.972 123.754 122.820 -0.063 0.000 1.883 2143 A HA -0.178 4.142 4.320 0.000 0.000 0.217 2143 A C 2.380 179.921 177.584 -0.072 0.000 1.186 2143 A CA 1.896 53.896 52.037 -0.061 0.000 0.624 2143 A CB -0.903 18.064 19.000 -0.055 0.000 0.822 2143 A HN 0.348 nan 8.150 nan 0.000 0.444 2144 A N -0.708 122.066 122.820 -0.078 0.000 1.933 2144 A HA -0.155 4.165 4.320 0.000 0.000 0.218 2144 A C 2.070 179.593 177.584 -0.102 0.000 1.175 2144 A CA 2.286 54.264 52.037 -0.099 0.000 0.628 2144 A CB -0.388 18.557 19.000 -0.090 0.000 0.814 2144 A HN 0.423 nan 8.150 nan 0.000 0.444 2145 K N 0.469 120.821 120.400 -0.080 0.000 2.057 2145 K HA -0.118 4.202 4.320 0.000 0.000 0.207 2145 K C 2.404 178.964 176.600 -0.067 0.000 1.049 2145 K CA 1.752 57.997 56.287 -0.070 0.000 0.931 2145 K CB -0.337 32.130 32.500 -0.055 0.000 0.714 2145 K HN 0.619 nan 8.250 nan 0.000 0.440 2146 S N 0.168 115.830 115.700 -0.064 0.000 2.453 2146 S HA -0.100 4.370 4.470 0.000 0.000 0.231 2146 S C 1.790 176.353 174.600 -0.063 0.000 1.005 2146 S CA 0.942 59.109 58.200 -0.055 0.000 0.949 2146 S CB -0.484 62.688 63.200 -0.046 0.000 0.774 2146 S HN 0.418 nan 8.310 nan 0.000 0.510 2147 I N -1.587 118.930 120.570 -0.089 0.000 3.883 2147 I HA 0.553 4.723 4.170 0.000 0.000 0.326 2147 I C 1.357 177.390 176.117 -0.141 0.000 1.283 2147 I CA 0.386 61.620 61.300 -0.109 0.000 1.161 2147 I CB -0.374 37.547 38.000 -0.132 0.000 1.012 2147 I HN 0.294 nan 8.210 nan 0.000 0.421 2148 G N 1.348 110.074 108.800 -0.123 0.000 2.179 2148 G HA2 -0.245 3.715 3.960 0.000 0.000 0.257 2148 G HA3 -0.245 3.715 3.960 0.000 0.000 0.257 2148 G C 0.465 175.280 174.900 -0.143 0.000 1.010 2148 G CA 0.139 45.176 45.100 -0.106 0.000 0.736 2148 G HN 1.026 nan 8.290 nan 0.000 0.513 2149 A N 0.120 122.795 122.820 -0.241 0.000 2.407 2149 A HA 0.674 4.994 4.320 0.000 0.000 0.248 2149 A C 1.045 178.552 177.584 -0.130 0.000 1.082 2149 A CA 1.057 52.937 52.037 -0.262 0.000 0.785 2149 A CB 0.362 19.125 19.000 -0.394 0.000 1.020 2149 A HN 1.855 nan 8.150 nan 0.000 0.489 2150 T N 1.090 115.602 114.554 -0.069 0.000 2.779 2150 T HA 0.487 4.837 4.350 0.000 0.000 0.296 2150 T C 0.004 174.592 174.700 -0.186 0.000 0.938 2150 T CA 0.147 62.183 62.100 -0.108 0.000 1.119 2150 T CB -0.213 68.623 68.868 -0.054 0.000 0.891 2150 T HN 0.575 nan 8.240 nan 0.000 0.526 2151 T N 5.224 119.596 114.554 -0.303 0.000 2.861 2151 T HA 0.436 4.786 4.350 0.000 0.000 0.287 2151 T C -0.947 173.473 174.700 -0.467 0.000 1.003 2151 T CA -0.763 61.169 62.100 -0.280 0.000 0.977 2151 T CB 0.922 69.701 68.868 -0.149 0.000 0.996 2151 T HN 0.727 nan 8.240 nan 0.000 0.448 2152 H N 0.951 120.027 119.070 0.011 0.000 2.524 2152 H HA 0.632 5.188 4.556 0.000 0.000 0.353 2152 H C -0.913 174.421 175.328 0.011 0.000 1.136 2152 H CA -0.615 55.447 56.048 0.023 0.000 1.193 2152 H CB 1.925 31.705 29.762 0.031 0.000 1.558 2152 H HN 0.259 nan 8.280 nan 0.000 0.515 2153 V N 1.884 121.873 119.914 0.126 0.000 2.487 2153 V HA 0.691 4.811 4.120 0.000 0.000 0.298 2153 V C 0.490 176.624 176.094 0.068 0.000 1.028 2153 V CA -0.149 62.191 62.300 0.067 0.000 0.860 2153 V CB 1.416 33.262 31.823 0.038 0.000 0.991 2153 V HN 1.123 nan 8.190 nan 0.000 0.427 2154 G N 3.286 112.113 108.800 0.044 0.000 2.399 2154 G HA2 0.364 4.324 3.960 0.000 0.000 0.256 2154 G HA3 0.364 4.324 3.960 0.000 0.000 0.256 2154 G C -1.420 173.483 174.900 0.005 0.000 1.236 2154 G CA -0.353 44.764 45.100 0.030 0.000 0.914 2154 G HN 0.523 nan 8.290 nan 0.000 0.482 2155 V N 0.632 120.539 119.914 -0.012 0.000 2.644 2155 V HA 0.689 4.809 4.120 0.000 0.000 0.295 2155 V C 0.313 176.358 176.094 -0.081 0.000 1.053 2155 V CA -0.036 62.238 62.300 -0.044 0.000 0.987 2155 V CB 1.439 33.233 31.823 -0.048 0.000 1.006 2155 V HN 0.806 nan 8.190 nan 0.000 0.472 2156 T N 3.007 117.498 114.554 -0.105 0.000 2.876 2156 T HA 0.654 5.004 4.350 0.000 0.000 0.289 2156 T C -0.245 174.331 174.700 -0.206 0.000 1.014 2156 T CA -0.299 61.720 62.100 -0.136 0.000 0.986 2156 T CB 1.668 70.491 68.868 -0.075 0.000 1.021 2156 T HN 0.918 nan 8.240 nan 0.000 0.458 2157 A N 2.154 124.798 122.820 -0.293 0.000 2.276 2157 A HA 0.646 4.966 4.320 0.000 0.000 0.300 2157 A C 0.292 177.831 177.584 -0.076 0.000 1.235 2157 A CA -0.442 51.386 52.037 -0.349 0.000 0.867 2157 A CB 0.412 19.021 19.000 -0.652 0.000 1.137 2157 A HN 0.621 nan 8.150 nan 0.000 0.527 2158 S N 1.979 117.645 115.700 -0.057 0.000 2.498 2158 S HA 0.554 5.024 4.470 0.000 0.000 0.324 2158 S C -0.192 174.429 174.600 0.036 0.000 1.071 2158 S CA -0.321 57.884 58.200 0.008 0.000 1.113 2158 S CB 0.481 63.676 63.200 -0.008 0.000 0.976 2158 S HN 1.036 nan 8.310 nan 0.000 0.462 2159 S N 3.439 119.161 115.700 0.036 0.000 2.482 2159 S HA 0.365 4.835 4.470 0.000 0.000 0.303 2159 S C 0.334 174.921 174.600 -0.020 0.000 1.091 2159 S CA -0.631 57.568 58.200 -0.001 0.000 1.057 2159 S CB 1.289 64.426 63.200 -0.105 0.000 1.031 2159 S HN 0.695 nan 8.310 nan 0.000 0.485 2160 D N 2.278 122.674 120.400 -0.007 0.000 2.378 2160 D HA 0.076 4.716 4.640 0.000 0.000 0.222 2160 D C 0.850 177.137 176.300 -0.021 0.000 0.980 2160 D CA 1.011 55.011 54.000 -0.001 0.000 0.907 2160 D CB 0.142 40.955 40.800 0.023 0.000 0.899 2160 D HN 0.735 nan 8.370 nan 0.000 0.527 2161 T N -4.051 110.456 114.554 -0.078 0.000 2.916 2161 T HA 0.310 4.660 4.350 0.000 0.000 0.292 2161 T C 0.465 175.104 174.700 -0.103 0.000 1.055 2161 T CA -0.913 61.151 62.100 -0.060 0.000 1.009 2161 T CB 1.296 70.120 68.868 -0.074 0.000 1.118 2161 T HN -0.098 nan 8.240 nan 0.000 0.497 2162 F N 0.083 119.897 119.950 -0.227 0.000 2.473 2162 F HA 0.216 4.743 4.527 0.000 0.000 0.294 2162 F C 0.932 176.379 175.800 -0.588 0.000 1.103 2162 F CA 0.544 58.296 58.000 -0.412 0.000 1.442 2162 F CB -0.003 38.716 39.000 -0.468 0.000 1.097 2162 F HN 0.660 nan 8.300 nan 0.000 0.547 2163 Y N 1.014 121.300 120.300 -0.023 0.000 2.380 2163 Y HA 0.141 4.691 4.550 0.000 0.000 0.255 2163 Y C -0.411 175.323 175.900 -0.276 0.000 1.051 2163 Y CA 0.388 58.419 58.100 -0.114 0.000 1.097 2163 Y CB -2.142 36.326 38.460 0.015 0.000 1.034 2163 Y HN -0.213 nan 8.280 nan 0.000 0.479 2164 P HA -0.104 nan 4.420 nan 0.000 0.217 2164 P C 1.496 178.504 177.300 -0.487 0.000 1.150 2164 P CA 2.246 65.201 63.100 -0.242 0.000 0.832 2164 P CB -0.280 31.336 31.700 -0.139 0.000 0.787 2165 G N -0.178 108.231 108.800 -0.650 0.000 2.509 2165 G HA2 -0.198 3.762 3.960 0.000 0.000 0.218 2165 G HA3 -0.198 3.762 3.960 0.000 0.000 0.218 2165 G C 1.321 175.788 174.900 -0.722 0.000 1.124 2165 G CA 0.291 44.769 45.100 -1.036 0.000 0.776 2165 G HN 0.382 nan 8.290 nan 0.000 0.547 2166 Q N -0.658 118.686 119.800 -0.761 0.000 2.188 2166 Q HA 0.222 4.562 4.340 0.000 0.000 0.212 2166 Q C 0.003 175.639 176.000 -0.607 0.000 0.846 2166 Q CA -0.283 54.796 55.803 -1.206 0.000 0.989 2166 Q CB 0.534 28.479 28.738 -1.320 0.000 1.114 2166 Q HN 0.561 nan 8.270 nan 0.000 0.488 2167 E N 1.613 121.592 120.200 -0.369 0.000 2.269 2167 E HA -0.236 4.114 4.350 0.000 0.000 0.223 2167 E C -0.888 175.545 176.600 -0.279 0.000 1.244 2167 E CA 0.128 56.373 56.400 -0.260 0.000 0.713 2167 E CB -0.351 29.344 29.700 -0.008 0.000 1.178 2167 E HN 0.330 nan 8.360 nan 0.000 0.370 2168 R N -0.130 120.189 120.500 -0.303 0.000 2.357 2168 R HA 0.211 4.551 4.340 0.000 0.000 0.296 2168 R C 0.360 176.541 176.300 -0.198 0.000 1.052 2168 R CA -0.112 55.906 56.100 -0.137 0.000 0.988 2168 R CB 0.478 30.754 30.300 -0.040 0.000 1.025 2168 R HN 0.206 nan 8.270 nan 0.000 0.469 2169 Y N -0.397 119.938 120.300 0.059 0.000 2.462 2169 Y HA 0.092 4.642 4.550 0.000 0.000 0.253 2169 Y C 0.135 176.067 175.900 0.053 0.000 1.095 2169 Y CA -0.172 57.958 58.100 0.050 0.000 1.283 2169 Y CB 0.634 39.112 38.460 0.030 0.000 1.138 2169 Y HN 0.491 nan 8.280 nan 0.000 0.522 2170 D N 1.533 122.053 120.400 0.201 0.000 2.545 2170 D HA 0.107 4.747 4.640 0.000 0.000 0.227 2170 D C 0.209 176.570 176.300 0.102 0.000 1.150 2170 D CA 0.348 54.433 54.000 0.141 0.000 1.046 2170 D CB -0.145 40.741 40.800 0.144 0.000 1.098 2170 D HN 0.221 nan 8.370 nan 0.000 0.502 2171 T N -2.877 111.707 114.554 0.051 0.000 2.864 2171 T HA 0.167 4.517 4.350 0.000 0.000 0.289 2171 T C 0.960 175.661 174.700 0.002 0.000 1.082 2171 T CA -0.862 61.218 62.100 -0.034 0.000 1.009 2171 T CB 0.778 69.618 68.868 -0.048 0.000 1.234 2171 T HN 0.080 nan 8.240 nan 0.000 0.526 2172 Y N 1.784 122.015 120.300 -0.115 0.000 2.102 2172 Y HA -0.199 4.351 4.550 0.000 0.000 0.280 2172 Y C 2.626 178.506 175.900 -0.033 0.000 1.178 2172 Y CA 2.820 60.877 58.100 -0.071 0.000 1.146 2172 Y CB -0.545 37.864 38.460 -0.085 0.000 0.968 2172 Y HN 0.761 nan 8.280 nan 0.000 0.504 2173 S N -1.493 114.104 115.700 -0.172 0.000 2.492 2173 S HA 0.229 4.699 4.470 0.000 0.000 0.218 2173 S C 1.912 176.454 174.600 -0.097 0.000 1.016 2173 S CA 0.535 58.605 58.200 -0.218 0.000 0.916 2173 S CB -0.326 62.846 63.200 -0.048 0.000 0.791 2173 S HN 1.006 nan 8.310 nan 0.000 0.513 2174 G N 2.060 110.849 108.800 -0.019 0.000 2.196 2174 G HA2 -0.334 3.626 3.960 0.000 0.000 0.268 2174 G HA3 -0.334 3.626 3.960 0.000 0.000 0.268 2174 G C 0.086 175.083 174.900 0.162 0.000 0.975 2174 G CA 0.622 45.768 45.100 0.076 0.000 0.648 2174 G HN 0.894 nan 8.290 nan 0.000 0.538 2175 R N -1.148 119.405 120.500 0.090 0.000 2.758 2175 R HA 0.833 5.173 4.340 0.000 0.000 0.265 2175 R C -0.846 175.469 176.300 0.025 0.000 1.016 2175 R CA -1.049 55.124 56.100 0.120 0.000 1.040 2175 R CB 2.041 32.393 30.300 0.086 0.000 1.152 2175 R HN 0.164 nan 8.270 nan 0.000 0.503 2176 V N 1.632 121.569 119.914 0.038 0.000 2.588 2176 V HA 0.199 4.319 4.120 0.000 0.000 0.304 2176 V C -0.084 176.065 176.094 0.092 0.000 1.042 2176 V CA -1.095 61.187 62.300 -0.030 0.000 0.877 2176 V CB 1.998 33.686 31.823 -0.224 0.000 0.996 2176 V HN 0.635 nan 8.190 nan 0.000 0.425 2177 V N 6.048 126.039 119.914 0.128 0.000 2.814 2177 V HA 0.001 4.121 4.120 0.000 0.000 0.307 2177 V C 1.923 178.121 176.094 0.172 0.000 1.089 2177 V CA 0.971 63.370 62.300 0.164 0.000 1.212 2177 V CB 0.753 32.704 31.823 0.212 0.000 0.912 2177 V HN 0.989 nan 8.190 nan 0.000 0.497 2178 R N 3.551 124.127 120.500 0.126 0.000 2.159 2178 R HA -0.306 4.034 4.340 0.000 0.000 0.249 2178 R C 1.992 178.333 176.300 0.069 0.000 1.136 2178 R CA 2.914 59.068 56.100 0.090 0.000 0.951 2178 R CB -0.738 29.604 30.300 0.071 0.000 0.876 2178 R HN 1.015 nan 8.270 nan 0.000 0.440 2179 H N -1.091 117.963 119.070 -0.026 0.000 2.426 2179 H HA -0.159 4.397 4.556 0.000 0.000 0.298 2179 H C 1.161 176.300 175.328 -0.315 0.000 1.107 2179 H CA 2.371 58.304 56.048 -0.190 0.000 1.298 2179 H CB -0.167 29.430 29.762 -0.275 0.000 1.377 2179 H HN 0.324 nan 8.280 nan 0.000 0.519 2180 F N -0.256 119.667 119.950 -0.045 0.000 2.678 2180 F HA 0.248 4.775 4.527 0.000 0.000 0.305 2180 F C 0.873 176.634 175.800 -0.065 0.000 1.090 2180 F CA -0.322 57.627 58.000 -0.086 0.000 1.272 2180 F CB 0.376 39.383 39.000 0.012 0.000 1.060 2180 F HN -0.178 nan 8.300 nan 0.000 0.576 2181 K N 0.726 121.187 120.400 0.101 0.000 2.436 2181 K HA 0.223 4.543 4.320 0.000 0.000 0.282 2181 K C 1.140 177.760 176.600 0.034 0.000 1.044 2181 K CA 0.911 57.264 56.287 0.110 0.000 1.028 2181 K CB 0.214 32.774 32.500 0.101 0.000 0.919 2181 K HN 0.381 nan 8.250 nan 0.000 0.474 2182 G N 1.943 110.783 108.800 0.067 0.000 2.162 2182 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 2182 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 2182 G C 0.875 175.711 174.900 -0.107 0.000 0.976 2182 G CA 0.855 45.950 45.100 -0.010 0.000 0.655 2182 G HN 0.699 nan 8.290 nan 0.000 0.533 2183 S N -0.703 114.934 115.700 -0.104 0.000 2.387 2183 S HA 0.077 4.547 4.470 0.000 0.000 0.226 2183 S C 2.267 176.677 174.600 -0.317 0.000 1.026 2183 S CA 1.559 59.570 58.200 -0.315 0.000 0.972 2183 S CB -0.268 62.880 63.200 -0.087 0.000 0.814 2183 S HN 0.612 nan 8.310 nan 0.000 0.477 2184 M N 1.616 121.257 119.600 0.067 0.000 2.080 2184 M HA -0.148 4.332 4.480 0.000 0.000 0.260 2184 M C 2.398 178.730 176.300 0.053 0.000 1.068 2184 M CA 2.259 57.687 55.300 0.214 0.000 1.109 2184 M CB -0.323 32.458 32.600 0.302 0.000 1.342 2184 M HN 0.550 nan 8.290 nan 0.000 0.405 2185 E N -0.048 120.151 120.200 -0.003 0.000 2.118 2185 E HA -0.246 4.105 4.350 0.000 0.000 0.195 2185 E C 1.828 178.377 176.600 -0.084 0.000 0.992 2185 E CA 1.472 57.855 56.400 -0.028 0.000 0.804 2185 E CB -0.024 29.658 29.700 -0.029 0.000 0.741 2185 E HN 0.532 nan 8.360 nan 0.000 0.458 2186 E N -0.214 119.851 120.200 -0.225 0.000 2.028 2186 E HA -0.177 4.173 4.350 0.000 0.000 0.191 2186 E C 1.872 178.383 176.600 -0.148 0.000 0.988 2186 E CA 1.349 57.572 56.400 -0.296 0.000 0.799 2186 E CB -0.315 29.048 29.700 -0.562 0.000 0.755 2186 E HN 0.509 nan 8.360 nan 0.000 0.447 2187 W N 1.720 123.012 121.300 -0.013 0.000 2.358 2187 W HA -0.201 4.459 4.660 0.000 0.000 0.303 2187 W C 2.548 179.029 176.519 -0.063 0.000 1.208 2187 W CA 0.545 57.860 57.345 -0.050 0.000 1.274 2187 W CB -0.251 29.144 29.460 -0.107 0.000 1.138 2187 W HN 0.155 nan 8.180 nan 0.000 0.515 2188 Q N 0.668 120.552 119.800 0.140 0.000 2.096 2188 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 2188 Q C 2.448 178.484 176.000 0.059 0.000 0.982 2188 Q CA 1.591 57.436 55.803 0.070 0.000 0.850 2188 Q CB -0.970 27.793 28.738 0.042 0.000 0.901 2188 Q HN 0.328 nan 8.270 nan 0.000 0.422 2189 A N 1.180 124.025 122.820 0.042 0.000 2.024 2189 A HA -0.126 4.194 4.320 0.000 0.000 0.220 2189 A C 1.973 179.585 177.584 0.047 0.000 1.164 2189 A CA 1.382 53.436 52.037 0.029 0.000 0.643 2189 A CB -0.448 18.553 19.000 0.002 0.000 0.806 2189 A HN 0.339 nan 8.150 nan 0.000 0.451 2190 M N -1.571 118.080 119.600 0.085 0.000 2.495 2190 M HA 0.187 4.667 4.480 0.000 0.000 0.237 2190 M C 1.306 177.654 176.300 0.081 0.000 1.131 2190 M CA 0.726 56.087 55.300 0.101 0.000 1.032 2190 M CB 0.345 33.055 32.600 0.184 0.000 1.513 2190 M HN 0.617 nan 8.290 nan 0.000 0.488 2191 G N 0.640 109.481 108.800 0.068 0.000 2.157 2191 G HA2 -0.205 3.755 3.960 0.000 0.000 0.248 2191 G HA3 -0.205 3.755 3.960 0.000 0.000 0.248 2191 G C 0.084 175.003 174.900 0.032 0.000 0.979 2191 G CA -0.174 44.956 45.100 0.049 0.000 0.650 2191 G HN 0.305 nan 8.290 nan 0.000 0.529 2192 V N 1.692 121.623 119.914 0.029 0.000 2.599 2192 V HA 0.188 4.308 4.120 0.000 0.000 0.300 2192 V C 1.854 177.904 176.094 -0.073 0.000 1.034 2192 V CA 1.202 63.478 62.300 -0.041 0.000 1.115 2192 V CB 1.190 32.966 31.823 -0.078 0.000 0.934 2192 V HN 0.397 nan 8.190 nan 0.000 0.485 2193 M N 3.108 122.652 119.600 -0.095 0.000 2.287 2193 M HA 0.105 4.585 4.480 0.000 0.000 0.266 2193 M C 0.606 176.815 176.300 -0.153 0.000 1.079 2193 M CA 0.980 56.213 55.300 -0.111 0.000 1.146 2193 M CB 0.032 32.585 32.600 -0.078 0.000 1.374 2193 M HN 0.970 nan 8.290 nan 0.000 0.435 2194 N N -1.810 116.776 118.700 -0.190 0.000 3.185 2194 N HA 0.154 4.894 4.740 0.000 0.000 0.238 2194 N C -2.013 173.353 175.510 -0.240 0.000 1.451 2194 N CA -0.666 52.277 53.050 -0.179 0.000 0.888 2194 N CB 1.110 39.549 38.487 -0.081 0.000 1.413 2194 N HN -0.118 nan 8.380 nan 0.000 0.511 2195 Y N -0.218 120.036 120.300 -0.078 0.000 2.377 2195 Y HA 0.508 5.058 4.550 0.000 0.000 0.339 2195 Y C 0.283 176.131 175.900 -0.087 0.000 1.011 2195 Y CA -0.153 57.887 58.100 -0.100 0.000 1.093 2195 Y CB 1.617 39.998 38.460 -0.131 0.000 1.201 2195 Y HN 0.821 nan 8.280 nan 0.000 0.455 2196 E N 0.014 120.284 120.200 0.116 0.000 2.368 2196 E HA 0.510 4.860 4.350 0.000 0.000 0.257 2196 E C -0.965 175.662 176.600 0.045 0.000 1.022 2196 E CA -0.681 55.757 56.400 0.062 0.000 0.886 2196 E CB 1.083 30.809 29.700 0.043 0.000 1.740 2196 E HN 0.435 nan 8.360 nan 0.000 0.456 2197 M N -0.714 118.908 119.600 0.037 0.000 2.289 2197 M HA 0.343 4.823 4.480 0.000 0.000 0.335 2197 M C 0.032 176.344 176.300 0.020 0.000 0.961 2197 M CA 0.246 55.562 55.300 0.027 0.000 1.018 2197 M CB 0.698 33.319 32.600 0.034 0.000 1.678 2197 M HN 0.484 nan 8.290 nan 0.000 0.589 2198 E N -0.488 119.722 120.200 0.018 0.000 2.500 2198 E HA 0.067 4.417 4.350 0.000 0.000 0.217 2198 E C 1.848 178.449 176.600 0.001 0.000 0.848 2198 E CA 0.631 57.038 56.400 0.011 0.000 1.217 2198 E CB 0.354 30.062 29.700 0.014 0.000 1.217 2198 E HN 0.309 nan 8.360 nan 0.000 0.573 2199 S N 0.894 116.595 115.700 0.003 0.000 2.382 2199 S HA -0.139 4.331 4.470 0.000 0.000 0.228 2199 S C 2.209 176.806 174.600 -0.005 0.000 1.027 2199 S CA 1.035 59.233 58.200 -0.003 0.000 0.991 2199 S CB -0.310 62.889 63.200 -0.002 0.000 0.823 2199 S HN 0.232 nan 8.310 nan 0.000 0.469 2200 A N 1.810 124.631 122.820 0.002 0.000 1.877 2200 A HA -0.032 4.288 4.320 0.000 0.000 0.216 2200 A C 2.458 180.052 177.584 0.017 0.000 1.186 2200 A CA 2.116 54.161 52.037 0.015 0.000 0.620 2200 A CB -1.683 17.330 19.000 0.022 0.000 0.822 2200 A HN 0.569 nan 8.150 nan 0.000 0.443 2201 T N 0.081 114.639 114.554 0.006 0.000 2.674 2201 T HA -0.134 4.216 4.350 0.000 0.000 0.265 2201 T C 1.877 176.519 174.700 -0.097 0.000 1.039 2201 T CA 1.540 63.634 62.100 -0.009 0.000 1.150 2201 T CB -0.439 68.430 68.868 0.002 0.000 0.864 2201 T HN 0.338 nan 8.240 nan 0.000 0.427 2202 L N 1.088 122.253 121.223 -0.097 0.000 1.989 2202 L HA -0.021 4.319 4.340 0.000 0.000 0.211 2202 L C 2.216 178.997 176.870 -0.148 0.000 1.071 2202 L CA 1.722 56.468 54.840 -0.156 0.000 0.749 2202 L CB -0.744 41.258 42.059 -0.095 0.000 0.890 2202 L HN 0.246 nan 8.230 nan 0.000 0.431 2203 L N -1.273 119.913 121.223 -0.062 0.000 2.083 2203 L HA -0.190 4.150 4.340 0.000 0.000 0.209 2203 L C 2.347 179.219 176.870 0.003 0.000 1.083 2203 L CA 1.680 56.511 54.840 -0.015 0.000 0.752 2203 L CB -1.152 40.921 42.059 0.023 0.000 0.899 2203 L HN 0.322 nan 8.230 nan 0.000 0.433 2204 T N 0.548 115.102 114.554 -0.001 0.000 2.737 2204 T HA -0.197 4.153 4.350 0.000 0.000 0.265 2204 T C 1.877 176.489 174.700 -0.147 0.000 1.038 2204 T CA 1.844 63.961 62.100 0.029 0.000 1.144 2204 T CB -0.238 68.675 68.868 0.076 0.000 0.866 2204 T HN 0.437 nan 8.240 nan 0.000 0.434 2205 M N 0.452 119.844 119.600 -0.347 0.000 2.159 2205 M HA -0.049 4.431 4.480 0.000 0.000 0.263 2205 M C 2.300 178.322 176.300 -0.462 0.000 1.063 2205 M CA 1.569 56.414 55.300 -0.759 0.000 1.110 2205 M CB -1.208 30.491 32.600 -1.501 0.000 1.374 2205 M HN 0.193 nan 8.290 nan 0.000 0.411 2206 C N 1.497 120.614 119.300 -0.305 0.000 2.508 2206 C HA 0.092 4.552 4.460 0.000 0.000 0.280 2206 C C 3.320 178.283 174.990 -0.044 0.000 1.262 2206 C CA 1.115 60.034 59.018 -0.164 0.000 1.706 2206 C CB -1.328 26.349 27.740 -0.105 0.000 2.078 2206 C HN 0.772 nan 8.230 nan 0.000 0.480 2207 A N 1.109 123.946 122.820 0.029 0.000 1.986 2207 A HA -0.177 4.143 4.320 0.000 0.000 0.220 2207 A C 2.135 179.816 177.584 0.162 0.000 1.171 2207 A CA 2.375 54.508 52.037 0.160 0.000 0.640 2207 A CB -0.684 18.500 19.000 0.308 0.000 0.811 2207 A HN 0.755 nan 8.150 nan 0.000 0.451 2208 S N -2.001 113.672 115.700 -0.045 0.000 2.577 2208 S HA 0.180 4.650 4.470 0.000 0.000 0.219 2208 S C 0.950 175.499 174.600 -0.085 0.000 0.962 2208 S CA 0.289 58.372 58.200 -0.194 0.000 0.921 2208 S CB 0.100 62.970 63.200 -0.550 0.000 0.789 2208 S HN 0.656 nan 8.310 nan 0.000 0.497 2209 Q N 0.191 119.963 119.800 -0.047 0.000 2.093 2209 Q HA 0.333 4.673 4.340 0.000 0.000 0.217 2209 Q C 0.731 176.742 176.000 0.017 0.000 0.785 2209 Q CA 0.083 55.873 55.803 -0.020 0.000 1.038 2209 Q CB 1.086 29.791 28.738 -0.055 0.000 1.190 2209 Q HN 0.641 nan 8.270 nan 0.000 0.468 2210 G N 1.599 110.421 108.800 0.038 0.000 2.160 2210 G HA2 -0.273 3.687 3.960 0.000 0.000 0.251 2210 G HA3 -0.273 3.687 3.960 0.000 0.000 0.251 2210 G C -0.074 174.865 174.900 0.066 0.000 1.008 2210 G CA 0.191 45.324 45.100 0.055 0.000 0.724 2210 G HN 0.248 nan 8.290 nan 0.000 0.514 2211 L N -0.283 120.982 121.223 0.070 0.000 2.322 2211 L HA 0.605 4.945 4.340 0.000 0.000 0.279 2211 L C 1.033 177.980 176.870 0.128 0.000 1.036 2211 L CA -1.075 53.841 54.840 0.127 0.000 0.807 2211 L CB 1.257 43.420 42.059 0.173 0.000 1.226 2211 L HN 0.049 nan 8.230 nan 0.000 0.433 2212 R N 1.972 122.560 120.500 0.148 0.000 2.308 2212 R HA 0.708 5.048 4.340 0.000 0.000 0.305 2212 R C -0.600 175.802 176.300 0.169 0.000 1.053 2212 R CA -0.368 55.806 56.100 0.123 0.000 0.957 2212 R CB 1.364 31.713 30.300 0.082 0.000 1.022 2212 R HN 0.726 nan 8.270 nan 0.000 0.461 2213 A N 1.593 124.488 122.820 0.125 0.000 2.449 2213 A HA 0.803 5.123 4.320 0.000 0.000 0.302 2213 A C -0.688 176.943 177.584 0.077 0.000 1.048 2213 A CA -0.642 51.471 52.037 0.126 0.000 0.708 2213 A CB 2.180 21.229 19.000 0.081 0.000 1.274 2213 A HN 0.759 nan 8.150 nan 0.000 0.410 2214 G N -0.300 108.542 108.800 0.070 0.000 2.642 2214 G HA2 0.688 4.648 3.960 0.000 0.000 0.293 2214 G HA3 0.688 4.648 3.960 0.000 0.000 0.293 2214 G C -1.244 173.677 174.900 0.036 0.000 1.341 2214 G CA -0.560 44.562 45.100 0.037 0.000 0.916 2214 G HN 1.165 nan 8.290 nan 0.000 0.474 2215 M N 1.547 121.159 119.600 0.020 0.000 2.224 2215 M HA 0.700 5.180 4.480 0.000 0.000 0.281 2215 M C -1.887 174.421 176.300 0.012 0.000 1.025 2215 M CA -0.804 54.508 55.300 0.019 0.000 0.954 2215 M CB 1.930 34.539 32.600 0.015 0.000 1.639 2215 M HN 0.762 nan 8.290 nan 0.000 0.461 2216 V N 4.137 124.059 119.914 0.014 0.000 2.888 2216 V HA 1.043 5.163 4.120 0.000 0.000 0.309 2216 V C -1.726 174.378 176.094 0.017 0.000 1.114 2216 V CA 0.177 62.484 62.300 0.011 0.000 0.940 2216 V CB 1.973 33.798 31.823 0.004 0.000 1.021 2216 V HN 1.231 nan 8.190 nan 0.000 0.426 2217 A N 3.802 126.634 122.820 0.020 0.000 2.549 2217 A HA 0.916 5.236 4.320 0.000 0.000 0.297 2217 A C -0.216 177.386 177.584 0.031 0.000 1.061 2217 A CA -0.150 51.901 52.037 0.024 0.000 0.690 2217 A CB 1.857 20.871 19.000 0.024 0.000 1.287 2217 A HN 1.628 nan 8.150 nan 0.000 0.402 2218 G N 0.026 108.846 108.800 0.034 0.000 2.356 2218 G HA2 0.521 4.481 3.960 0.000 0.000 0.298 2218 G HA3 0.521 4.481 3.960 0.000 0.000 0.298 2218 G C -0.500 174.421 174.900 0.035 0.000 1.145 2218 G CA -0.327 44.797 45.100 0.040 0.000 0.850 2218 G HN 0.890 nan 8.290 nan 0.000 0.487 2219 V N 3.313 123.248 119.914 0.036 0.000 2.455 2219 V HA 0.126 4.246 4.120 0.000 0.000 0.273 2219 V C 1.227 177.335 176.094 0.024 0.000 1.045 2219 V CA 0.034 62.350 62.300 0.027 0.000 0.976 2219 V CB 0.845 32.680 31.823 0.021 0.000 0.993 2219 V HN 0.769 nan 8.190 nan 0.000 0.475 2220 I N 3.398 123.984 120.570 0.026 0.000 4.057 2220 I HA 0.533 4.703 4.170 0.000 0.000 0.334 2220 I C 0.197 176.331 176.117 0.029 0.000 1.308 2220 I CA 0.296 61.612 61.300 0.027 0.000 1.125 2220 I CB 1.005 39.025 38.000 0.034 0.000 1.034 2220 I HN 0.401 nan 8.210 nan 0.000 0.401 2221 V N 1.258 121.187 119.914 0.025 0.000 3.077 2221 V HA 0.425 4.545 4.120 0.000 0.000 0.299 2221 V C -1.765 174.335 176.094 0.009 0.000 1.276 2221 V CA -0.609 61.705 62.300 0.022 0.000 0.993 2221 V CB 2.337 34.179 31.823 0.033 0.000 1.076 2221 V HN 0.346 nan 8.190 nan 0.000 0.434 2222 N N 4.854 123.558 118.700 0.006 0.000 2.444 2222 N HA 0.368 5.108 4.740 0.000 0.000 0.262 2222 N C 0.597 176.114 175.510 0.010 0.000 0.974 2222 N CA -0.560 52.488 53.050 -0.004 0.000 0.933 2222 N CB 1.607 40.084 38.487 -0.015 0.000 1.137 2222 N HN 0.595 nan 8.380 nan 0.000 0.498 2223 R N 1.045 121.556 120.500 0.018 0.000 2.280 2223 R HA -0.036 4.304 4.340 0.000 0.000 0.207 2223 R C 1.437 177.762 176.300 0.043 0.000 1.043 2223 R CA 0.806 56.930 56.100 0.040 0.000 1.006 2223 R CB -0.698 29.650 30.300 0.080 0.000 0.885 2223 R HN 0.690 nan 8.270 nan 0.000 0.467 2224 T N -2.901 111.669 114.554 0.027 0.000 3.118 2224 T HA -0.010 4.340 4.350 0.000 0.000 0.260 2224 T C 1.548 176.263 174.700 0.025 0.000 1.139 2224 T CA 0.724 62.840 62.100 0.027 0.000 1.085 2224 T CB 0.204 69.082 68.868 0.017 0.000 0.934 2224 T HN 0.231 nan 8.240 nan 0.000 0.518 2225 Q N -0.429 119.385 119.800 0.024 0.000 2.431 2225 Q HA 0.380 4.720 4.340 0.000 0.000 0.244 2225 Q C 0.431 176.449 176.000 0.030 0.000 0.880 2225 Q CA 0.127 55.944 55.803 0.023 0.000 0.954 2225 Q CB 0.864 29.613 28.738 0.019 0.000 1.105 2225 Q HN 0.496 nan 8.270 nan 0.000 0.558 2226 Q N -1.147 118.673 119.800 0.035 0.000 2.527 2226 Q HA 0.156 4.496 4.340 0.000 0.000 0.280 2226 Q C -0.735 175.290 176.000 0.043 0.000 0.977 2226 Q CA -0.140 55.687 55.803 0.040 0.000 0.837 2226 Q CB 1.854 30.614 28.738 0.037 0.000 1.454 2226 Q HN 0.016 nan 8.270 nan 0.000 0.387 2227 E N 0.663 120.895 120.200 0.054 0.000 2.201 2227 E HA 0.123 4.473 4.350 0.000 0.000 0.193 2227 E C 0.093 176.727 176.600 0.056 0.000 0.957 2227 E CA 0.480 56.906 56.400 0.044 0.000 0.858 2227 E CB 0.705 30.451 29.700 0.076 0.000 0.816 2227 E HN 0.309 nan 8.360 nan 0.000 0.475 2228 I N 2.538 123.162 120.570 0.091 0.000 2.354 2228 I HA 0.275 4.445 4.170 0.000 0.000 0.292 2228 I C -2.346 173.825 176.117 0.089 0.000 0.989 2228 I CA -3.228 58.145 61.300 0.122 0.000 1.188 2228 I CB 0.724 38.806 38.000 0.137 0.000 1.342 2228 I HN -0.220 nan 8.210 nan 0.000 0.457 2229 P HA 0.089 nan 4.420 nan 0.000 0.267 2229 P C 0.019 177.348 177.300 0.049 0.000 1.200 2229 P CA -0.089 63.051 63.100 0.065 0.000 0.772 2229 P CB 0.545 32.288 31.700 0.073 0.000 0.855 2240 H N 2.036 121.098 119.070 -0.013 0.000 2.357 2240 H HA 0.352 4.908 4.556 0.000 0.000 0.301 2240 H C 2.235 177.554 175.328 -0.015 0.000 1.082 2240 H CA 1.778 57.818 56.048 -0.014 0.000 1.342 2240 H CB -0.490 29.265 29.762 -0.012 0.000 1.389 2240 H HN 0.492 nan 8.280 nan 0.000 0.511 2241 A N 0.059 122.949 122.820 0.117 0.000 1.898 2241 A HA -0.100 4.220 4.320 0.000 0.000 0.216 2241 A C 2.758 180.358 177.584 0.027 0.000 1.181 2241 A CA 1.537 53.603 52.037 0.049 0.000 0.620 2241 A CB -0.804 18.221 19.000 0.042 0.000 0.819 2241 A HN 0.234 nan 8.150 nan 0.000 0.442 2242 V N 0.000 119.931 119.914 0.028 0.000 2.287 2242 V HA -0.296 3.824 4.120 0.000 0.000 0.248 2242 V C 2.487 178.585 176.094 0.006 0.000 1.053 2242 V CA 2.486 64.792 62.300 0.009 0.000 1.027 2242 V CB -0.714 31.108 31.823 -0.002 0.000 0.646 2242 V HN 0.542 nan 8.190 nan 0.000 0.447 2243 K N -0.311 120.101 120.400 0.020 0.000 2.063 2243 K HA -0.136 4.184 4.320 0.000 0.000 0.208 2243 K C 1.931 178.524 176.600 -0.012 0.000 1.048 2243 K CA 1.627 57.920 56.287 0.009 0.000 0.928 2243 K CB -0.323 32.196 32.500 0.032 0.000 0.713 2243 K HN 0.421 nan 8.250 nan 0.000 0.442 2244 I N -0.533 120.026 120.570 -0.018 0.000 2.202 2244 I HA -0.253 3.917 4.170 0.000 0.000 0.242 2244 I C 2.156 178.257 176.117 -0.026 0.000 1.091 2244 I CA 0.794 62.074 61.300 -0.035 0.000 1.368 2244 I CB -0.201 37.772 38.000 -0.045 0.000 1.058 2244 I HN 0.000 nan 8.210 nan 0.000 0.410 2245 V N 0.425 120.330 119.914 -0.014 0.000 2.407 2245 V HA -0.224 3.896 4.120 0.000 0.000 0.248 2245 V C 2.384 178.469 176.094 -0.015 0.000 1.055 2245 V CA 1.744 64.037 62.300 -0.011 0.000 1.049 2245 V CB 0.080 31.902 31.823 -0.002 0.000 0.662 2245 V HN 0.218 nan 8.190 nan 0.000 0.455 2246 V N 0.020 119.925 119.914 -0.015 0.000 2.358 2246 V HA -0.205 3.915 4.120 0.000 0.000 0.246 2246 V C 2.519 178.601 176.094 -0.020 0.000 1.047 2246 V CA 2.249 64.539 62.300 -0.016 0.000 1.035 2246 V CB -0.670 31.143 31.823 -0.016 0.000 0.658 2246 V HN 0.681 nan 8.190 nan 0.000 0.452 2247 E N 0.908 121.094 120.200 -0.023 0.000 2.110 2247 E HA -0.157 4.193 4.350 0.000 0.000 0.193 2247 E C 2.075 178.656 176.600 -0.031 0.000 0.988 2247 E CA 1.623 58.007 56.400 -0.027 0.000 0.804 2247 E CB -0.440 29.241 29.700 -0.032 0.000 0.745 2247 E HN 0.506 nan 8.360 nan 0.000 0.458 2248 A N 0.827 123.627 122.820 -0.032 0.000 1.898 2248 A HA 0.003 4.323 4.320 0.000 0.000 0.216 2248 A C 2.465 180.029 177.584 -0.033 0.000 1.181 2248 A CA 1.945 53.960 52.037 -0.036 0.000 0.620 2248 A CB -1.040 17.938 19.000 -0.036 0.000 0.819 2248 A HN 0.389 nan 8.150 nan 0.000 0.442 2249 A N -0.255 122.549 122.820 -0.027 0.000 1.908 2249 A HA -0.217 4.103 4.320 0.000 0.000 0.218 2249 A C 2.213 179.780 177.584 -0.027 0.000 1.181 2249 A CA 1.937 53.958 52.037 -0.028 0.000 0.627 2249 A CB -0.519 18.466 19.000 -0.024 0.000 0.818 2249 A HN 0.537 nan 8.150 nan 0.000 0.445 2250 R N -0.623 119.863 120.500 -0.024 0.000 2.096 2250 R HA -0.148 4.192 4.340 0.000 0.000 0.240 2250 R C 2.279 178.564 176.300 -0.024 0.000 1.139 2250 R CA 1.969 58.056 56.100 -0.022 0.000 0.952 2250 R CB -0.197 30.090 30.300 -0.020 0.000 0.854 2250 R HN 0.512 nan 8.270 nan 0.000 0.436 2251 R N -0.412 120.071 120.500 -0.028 0.000 2.235 2251 R HA 0.024 4.364 4.340 0.000 0.000 0.213 2251 R C 1.530 177.812 176.300 -0.030 0.000 1.059 2251 R CA 0.656 56.738 56.100 -0.030 0.000 0.997 2251 R CB 0.130 30.407 30.300 -0.039 0.000 0.884 2251 R HN 0.249 nan 8.270 nan 0.000 0.462 2252 L N 0.224 121.429 121.223 -0.031 0.000 2.607 2252 L HA 0.187 4.527 4.340 0.000 0.000 0.228 2252 L C 0.490 177.344 176.870 -0.026 0.000 1.123 2252 L CA -0.186 54.637 54.840 -0.029 0.000 0.890 2252 L CB 0.142 42.182 42.059 -0.032 0.000 1.103 2252 L HN 0.087 nan 8.230 nan 0.000 0.468 2253 L N 0.000 121.208 121.223 -0.025 0.000 2.949 2253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2253 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 2253 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502