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 1s5l_1_b DATA FIRST_RESID 2006 DATA SEQUENCE YRVHTVLIND PGRLIAAHLM HTALVAGWAG SMALYELATF DPSDPVLNPM DATA SEQUENCE WRQGMFVLPF MARLGVTGSW SGWSITGETG IDPGFWSFEG VALAHIVLSG DATA SEQUENCE LLFLAACWHW VYWDLELFRD PRTGEPALDL PKMFGIHLFL AGLLCFGFGA DATA SEQUENCE FHLTGLFGPG MWVSDPYGLT GSVQPVAPEW GPDGFNPYNP GGVVAHHIAA DATA SEQUENCE GIVGIIAGLF HILVRPPQRL YKALRMGNIE TVLSSSIAAV FFAAFVVAGT DATA SEQUENCE MWYGSATTPI ELFGPTRYQW DSSYFQQEIN RRVQASLASG ATLEEAWSAI DATA SEQUENCE PEKLAFYDYI GNNPAKGGLF RTGPMNKGDG IAQAWKGHAV FRNKEGEELF DATA SEQUENCE VRRMPAFFES FPVILTDKNG VVKADIPFRR AESKYSFEQQ GVTVSFYGGE DATA SEQUENCE LNGQTFTDPP TVKSYARKAI FGEIFEFDTE TLNSDGIFRT SPRGWFTFAH DATA SEQUENCE AVFALLFFFG HIWHGARTLF RDVFSG 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 2006 Y HA 0.000 nan 4.550 nan 0.000 0.201 2006 Y C 0.000 175.889 175.900 -0.019 0.000 1.272 2006 Y CA 0.000 58.091 58.100 -0.014 0.000 1.940 2006 Y CB 0.000 38.446 38.460 -0.023 0.000 1.050 2007 R N 1.126 121.611 120.500 -0.024 0.000 2.312 2007 R HA 0.699 5.038 4.340 -0.003 0.000 0.311 2007 R C -0.498 175.761 176.300 -0.069 0.000 1.004 2007 R CA -0.470 55.588 56.100 -0.069 0.000 0.902 2007 R CB 1.985 32.321 30.300 0.060 0.000 1.073 2007 R HN 0.695 nan 8.270 nan 0.000 0.457 2008 V N -0.367 119.421 119.914 -0.210 0.000 3.071 2008 V HA 0.021 4.139 4.120 -0.003 0.000 0.244 2008 V C 0.872 176.864 176.094 -0.169 0.000 1.644 2008 V CA -0.035 62.158 62.300 -0.179 0.000 1.090 2008 V CB -0.171 31.517 31.823 -0.225 0.000 0.981 2008 V HN 0.803 nan 8.190 nan 0.000 0.422 2009 H N 1.241 120.302 119.070 -0.015 0.000 2.547 2009 H HA 0.135 4.689 4.556 -0.003 0.000 0.274 2009 H C 1.836 177.157 175.328 -0.012 0.000 1.024 2009 H CA 0.862 56.905 56.048 -0.009 0.000 1.155 2009 H CB 0.248 30.001 29.762 -0.016 0.000 1.344 2009 H HN 0.368 nan 8.280 nan 0.000 0.598 2010 T N -0.433 114.151 114.554 0.051 0.000 2.857 2010 T HA -0.123 4.226 4.350 -0.003 0.000 0.266 2010 T C 2.307 177.006 174.700 -0.001 0.000 1.048 2010 T CA 0.701 62.815 62.100 0.025 0.000 1.139 2010 T CB -0.185 68.693 68.868 0.017 0.000 0.874 2010 T HN 0.184 nan 8.240 nan 0.000 0.455 2011 V N 1.527 121.442 119.914 0.003 0.000 2.546 2011 V HA -0.128 3.990 4.120 -0.003 0.000 0.254 2011 V C 2.236 178.307 176.094 -0.038 0.000 1.076 2011 V CA 1.189 63.476 62.300 -0.021 0.000 1.087 2011 V CB -0.531 31.287 31.823 -0.009 0.000 0.674 2011 V HN 0.338 nan 8.190 nan 0.000 0.470 2012 L N -0.745 120.470 121.223 -0.013 0.000 2.492 2012 L HA 0.102 4.440 4.340 -0.003 0.000 0.223 2012 L C 1.868 178.700 176.870 -0.064 0.000 1.132 2012 L CA 1.154 55.970 54.840 -0.039 0.000 0.850 2012 L CB -0.529 41.520 42.059 -0.017 0.000 0.966 2012 L HN 0.285 nan 8.230 nan 0.000 0.454 2013 I N -0.421 120.115 120.570 -0.056 0.000 2.194 2013 I HA -0.406 3.762 4.170 -0.003 0.000 0.246 2013 I C 1.708 177.785 176.117 -0.066 0.000 1.093 2013 I CA 1.897 63.157 61.300 -0.066 0.000 1.355 2013 I CB 0.029 37.989 38.000 -0.067 0.000 1.046 2013 I HN 0.466 nan 8.210 nan 0.000 0.413 2014 N N -0.239 118.421 118.700 -0.067 0.000 2.457 2014 N HA -0.095 4.644 4.740 -0.003 0.000 0.180 2014 N C 0.070 175.552 175.510 -0.047 0.000 1.050 2014 N CA 0.218 53.234 53.050 -0.057 0.000 0.906 2014 N CB 0.172 38.621 38.487 -0.063 0.000 0.968 2014 N HN 0.286 nan 8.380 nan 0.000 0.445 2015 D N -0.255 120.107 120.400 -0.064 0.000 2.425 2015 D HA 0.180 4.818 4.640 -0.003 0.000 0.240 2015 D C -2.098 174.196 176.300 -0.010 0.000 1.080 2015 D CA -2.286 51.690 54.000 -0.040 0.000 0.836 2015 D CB 2.040 42.758 40.800 -0.137 0.000 1.125 2015 D HN -0.132 nan 8.370 nan 0.000 0.525 2016 P HA 0.028 nan 4.420 nan 0.000 0.212 2016 P C 1.383 178.733 177.300 0.084 0.000 1.180 2016 P CA 1.125 64.251 63.100 0.042 0.000 0.902 2016 P CB 0.175 31.913 31.700 0.065 0.000 0.778 2017 G N -0.407 108.493 108.800 0.167 0.000 2.485 2017 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.221 2017 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.221 2017 G C 1.826 176.869 174.900 0.239 0.000 1.115 2017 G CA 0.831 46.077 45.100 0.242 0.000 0.751 2017 G HN 0.164 nan 8.290 nan 0.000 0.567 2018 R N -0.568 120.025 120.500 0.154 0.000 2.161 2018 R HA 0.233 4.571 4.340 -0.003 0.000 0.213 2018 R C 2.168 178.517 176.300 0.081 0.000 1.055 2018 R CA 0.461 56.615 56.100 0.089 0.000 0.996 2018 R CB -0.382 29.833 30.300 -0.142 0.000 0.901 2018 R HN 0.349 nan 8.270 nan 0.000 0.456 2019 L N -0.167 121.050 121.223 -0.009 0.000 2.446 2019 L HA 0.264 4.602 4.340 -0.003 0.000 0.219 2019 L C 1.555 178.303 176.870 -0.203 0.000 1.116 2019 L CA 1.021 55.777 54.840 -0.139 0.000 0.844 2019 L CB -0.008 41.920 42.059 -0.218 0.000 0.970 2019 L HN 0.259 nan 8.230 nan 0.000 0.457 2020 I N -1.117 119.423 120.570 -0.051 0.000 3.059 2020 I HA -0.019 4.149 4.170 -0.003 0.000 0.270 2020 I C 2.105 178.223 176.117 0.001 0.000 1.238 2020 I CA 0.855 62.146 61.300 -0.015 0.000 1.478 2020 I CB 0.095 38.123 38.000 0.047 0.000 1.097 2020 I HN 0.313 nan 8.210 nan 0.000 0.455 2021 A N 0.830 123.680 122.820 0.050 0.000 1.843 2021 A HA -0.019 4.300 4.320 -0.003 0.000 0.213 2021 A C 2.500 180.092 177.584 0.014 0.000 1.202 2021 A CA 1.304 53.371 52.037 0.050 0.000 0.607 2021 A CB -1.070 18.064 19.000 0.222 0.000 0.847 2021 A HN 0.452 nan 8.150 nan 0.000 0.445 2022 A N -0.432 122.409 122.820 0.035 0.000 1.884 2022 A HA -0.301 4.017 4.320 -0.003 0.000 0.219 2022 A C 1.961 179.609 177.584 0.105 0.000 1.197 2022 A CA 1.999 54.050 52.037 0.023 0.000 0.637 2022 A CB -1.413 17.594 19.000 0.013 0.000 0.827 2022 A HN 0.763 nan 8.150 nan 0.000 0.450 2023 H N -1.064 117.988 119.070 -0.030 0.000 2.457 2023 H HA -0.046 4.508 4.556 -0.003 0.000 0.297 2023 H C 1.984 177.305 175.328 -0.013 0.000 1.092 2023 H CA 0.884 56.913 56.048 -0.032 0.000 1.309 2023 H CB -0.101 29.633 29.762 -0.046 0.000 1.382 2023 H HN 0.393 nan 8.280 nan 0.000 0.535 2024 L N -0.058 121.216 121.223 0.085 0.000 2.044 2024 L HA -0.193 4.145 4.340 -0.003 0.000 0.205 2024 L C 2.509 179.396 176.870 0.029 0.000 1.075 2024 L CA 0.926 55.779 54.840 0.021 0.000 0.747 2024 L CB -0.199 41.830 42.059 -0.051 0.000 0.903 2024 L HN 0.337 nan 8.230 nan 0.000 0.435 2025 M N -1.335 118.273 119.600 0.012 0.000 2.086 2025 M HA -0.270 4.209 4.480 -0.003 0.000 0.261 2025 M C 2.414 178.743 176.300 0.049 0.000 1.067 2025 M CA 1.626 56.942 55.300 0.027 0.000 1.116 2025 M CB -0.858 31.730 32.600 -0.020 0.000 1.348 2025 M HN 0.317 nan 8.290 nan 0.000 0.407 2026 H N -0.069 118.986 119.070 -0.025 0.000 2.390 2026 H HA -0.140 4.414 4.556 -0.003 0.000 0.298 2026 H C 1.597 176.905 175.328 -0.034 0.000 1.106 2026 H CA 1.992 58.013 56.048 -0.044 0.000 1.297 2026 H CB 0.022 29.735 29.762 -0.082 0.000 1.375 2026 H HN 0.281 nan 8.280 nan 0.000 0.509 2027 T N 0.317 114.932 114.554 0.102 0.000 2.985 2027 T HA 0.076 4.424 4.350 -0.003 0.000 0.266 2027 T C 2.098 176.814 174.700 0.027 0.000 1.076 2027 T CA 0.750 62.885 62.100 0.058 0.000 1.135 2027 T CB -0.278 68.618 68.868 0.046 0.000 0.890 2027 T HN 0.494 nan 8.240 nan 0.000 0.480 2028 A N 1.052 123.897 122.820 0.042 0.000 2.014 2028 A HA 0.159 4.477 4.320 -0.003 0.000 0.218 2028 A C 2.139 179.752 177.584 0.049 0.000 1.163 2028 A CA 0.802 52.883 52.037 0.073 0.000 0.652 2028 A CB -0.527 18.566 19.000 0.154 0.000 0.808 2028 A HN 0.473 nan 8.150 nan 0.000 0.449 2029 L N -0.692 120.528 121.223 -0.005 0.000 2.240 2029 L HA -0.067 4.271 4.340 -0.003 0.000 0.211 2029 L C 2.235 179.108 176.870 0.005 0.000 1.106 2029 L CA 0.532 55.357 54.840 -0.025 0.000 0.793 2029 L CB -0.380 41.616 42.059 -0.106 0.000 0.927 2029 L HN 0.205 nan 8.230 nan 0.000 0.446 2030 V N 0.122 120.016 119.914 -0.034 0.000 2.667 2030 V HA -0.153 3.965 4.120 -0.003 0.000 0.252 2030 V C 2.613 178.813 176.094 0.177 0.000 1.065 2030 V CA 1.541 63.870 62.300 0.048 0.000 1.083 2030 V CB -0.431 31.382 31.823 -0.017 0.000 0.692 2030 V HN 0.438 nan 8.190 nan 0.000 0.468 2031 A N 0.405 123.303 122.820 0.130 0.000 1.970 2031 A HA 0.100 4.418 4.320 -0.003 0.000 0.216 2031 A C 2.286 179.956 177.584 0.144 0.000 1.170 2031 A CA 1.349 53.487 52.037 0.169 0.000 0.645 2031 A CB -0.706 18.346 19.000 0.088 0.000 0.816 2031 A HN 0.506 nan 8.150 nan 0.000 0.447 2032 G N -2.354 106.507 108.800 0.102 0.000 2.712 2032 G HA2 -0.088 3.870 3.960 -0.003 0.000 0.212 2032 G HA3 -0.088 3.870 3.960 -0.003 0.000 0.212 2032 G C 1.187 176.127 174.900 0.067 0.000 1.142 2032 G CA 0.744 45.879 45.100 0.058 0.000 0.789 2032 G HN 0.669 nan 8.290 nan 0.000 0.535 2033 W N 1.330 122.608 121.300 -0.037 0.000 2.481 2033 W HA 0.335 4.993 4.660 -0.002 0.000 0.293 2033 W C 2.398 178.888 176.519 -0.050 0.000 1.201 2033 W CA 1.104 58.420 57.345 -0.048 0.000 1.328 2033 W CB -0.059 29.367 29.460 -0.057 0.000 1.112 2033 W HN 0.138 nan 8.180 nan 0.000 0.546 2034 A N 0.882 123.577 122.820 -0.208 0.000 2.024 2034 A HA -0.027 4.292 4.320 -0.003 0.000 0.220 2034 A C 2.156 179.473 177.584 -0.445 0.000 1.164 2034 A CA 1.965 53.703 52.037 -0.499 0.000 0.643 2034 A CB -1.537 17.246 19.000 -0.361 0.000 0.806 2034 A HN 0.421 nan 8.150 nan 0.000 0.451 2035 G N -0.784 107.868 108.800 -0.246 0.000 2.464 2035 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.214 2035 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.214 2035 G C 1.914 176.680 174.900 -0.223 0.000 1.218 2035 G CA 1.437 46.434 45.100 -0.172 0.000 0.794 2035 G HN 0.582 nan 8.290 nan 0.000 0.542 2036 S N -0.177 115.380 115.700 -0.237 0.000 2.378 2036 S HA -0.277 4.191 4.470 -0.003 0.000 0.229 2036 S C 2.427 176.867 174.600 -0.267 0.000 1.052 2036 S CA 2.444 60.514 58.200 -0.216 0.000 1.084 2036 S CB -0.348 62.728 63.200 -0.207 0.000 0.950 2036 S HN 0.201 nan 8.310 nan 0.000 0.440 2037 M N 1.665 120.928 119.600 -0.562 0.000 2.059 2037 M HA 0.101 4.579 4.480 -0.003 0.000 0.259 2037 M C 2.225 178.356 176.300 -0.282 0.000 1.072 2037 M CA 1.883 56.878 55.300 -0.509 0.000 1.117 2037 M CB -1.455 30.489 32.600 -1.095 0.000 1.320 2037 M HN 0.405 nan 8.290 nan 0.000 0.408 2038 A N 0.108 122.718 122.820 -0.351 0.000 1.859 2038 A HA -0.202 4.116 4.320 -0.003 0.000 0.217 2038 A C 2.220 179.715 177.584 -0.149 0.000 1.198 2038 A CA 2.185 54.067 52.037 -0.258 0.000 0.629 2038 A CB -1.348 17.494 19.000 -0.264 0.000 0.830 2038 A HN 0.570 nan 8.150 nan 0.000 0.446 2039 L N -2.262 118.890 121.223 -0.117 0.000 1.990 2039 L HA -0.264 4.075 4.340 -0.003 0.000 0.213 2039 L C 2.657 179.517 176.870 -0.017 0.000 1.072 2039 L CA 2.305 57.109 54.840 -0.060 0.000 0.755 2039 L CB -0.975 41.057 42.059 -0.046 0.000 0.889 2039 L HN 0.590 nan 8.230 nan 0.000 0.432 2040 Y N 1.062 121.290 120.300 -0.120 0.000 2.114 2040 Y HA -0.315 4.234 4.550 -0.003 0.000 0.282 2040 Y C 2.572 178.436 175.900 -0.060 0.000 1.165 2040 Y CA 1.949 59.999 58.100 -0.084 0.000 1.148 2040 Y CB -0.287 38.120 38.460 -0.087 0.000 0.972 2040 Y HN 0.202 nan 8.280 nan 0.000 0.504 2041 E N -0.187 119.965 120.200 -0.081 0.000 2.077 2041 E HA -0.217 4.132 4.350 -0.003 0.000 0.193 2041 E C 2.245 178.765 176.600 -0.133 0.000 0.989 2041 E CA 1.487 57.812 56.400 -0.125 0.000 0.800 2041 E CB -0.310 29.352 29.700 -0.064 0.000 0.746 2041 E HN 0.502 nan 8.360 nan 0.000 0.452 2042 L N 0.201 121.355 121.223 -0.115 0.000 2.083 2042 L HA -0.164 4.175 4.340 -0.003 0.000 0.209 2042 L C 2.516 179.306 176.870 -0.133 0.000 1.083 2042 L CA 0.948 55.729 54.840 -0.099 0.000 0.752 2042 L CB -0.454 41.581 42.059 -0.040 0.000 0.899 2042 L HN 0.151 nan 8.230 nan 0.000 0.433 2043 A N -0.581 122.145 122.820 -0.158 0.000 2.014 2043 A HA -0.104 4.214 4.320 -0.003 0.000 0.218 2043 A C 2.262 179.720 177.584 -0.210 0.000 1.163 2043 A CA 1.844 53.784 52.037 -0.162 0.000 0.652 2043 A CB -0.491 18.424 19.000 -0.141 0.000 0.808 2043 A HN 0.397 nan 8.150 nan 0.000 0.449 2044 T N -1.335 113.046 114.554 -0.289 0.000 3.031 2044 T HA 0.176 4.524 4.350 -0.003 0.000 0.254 2044 T C 0.533 175.108 174.700 -0.208 0.000 1.060 2044 T CA -0.184 61.743 62.100 -0.288 0.000 1.135 2044 T CB -0.267 68.341 68.868 -0.433 0.000 0.896 2044 T HN 0.289 nan 8.240 nan 0.000 0.472 2045 F N 3.304 123.074 119.950 -0.301 0.000 2.628 2045 F HA 0.198 4.723 4.527 -0.003 0.000 0.362 2045 F C 0.421 176.029 175.800 -0.319 0.000 1.148 2045 F CA -0.664 57.151 58.000 -0.308 0.000 1.352 2045 F CB 0.341 39.086 39.000 -0.426 0.000 1.081 2045 F HN -0.034 nan 8.300 nan 0.000 0.605 2046 D N 5.838 125.402 120.400 -1.393 0.000 2.303 2046 D HA 0.347 4.985 4.640 -0.003 0.000 0.236 2046 D C -2.308 173.680 176.300 -0.521 0.000 1.068 2046 D CA -2.336 51.200 54.000 -0.773 0.000 0.830 2046 D CB 1.927 42.393 40.800 -0.557 0.000 1.109 2046 D HN 0.139 nan 8.370 nan 0.000 0.496 2047 P HA 0.007 nan 4.420 nan 0.000 0.221 2047 P C 1.332 178.809 177.300 0.294 0.000 1.152 2047 P CA 0.491 63.788 63.100 0.328 0.000 0.851 2047 P CB 0.212 31.998 31.700 0.142 0.000 0.833 2048 S N -0.167 115.597 115.700 0.107 0.000 2.407 2048 S HA -0.231 4.237 4.470 -0.003 0.000 0.244 2048 S C 0.844 175.504 174.600 0.099 0.000 1.077 2048 S CA 2.101 60.351 58.200 0.084 0.000 1.159 2048 S CB -1.387 61.826 63.200 0.023 0.000 1.045 2048 S HN 0.227 nan 8.310 nan 0.000 0.438 2049 D N 0.662 121.114 120.400 0.087 0.000 2.736 2049 D HA 0.455 5.094 4.640 -0.003 0.000 0.243 2049 D C -2.604 173.760 176.300 0.107 0.000 1.304 2049 D CA -2.296 51.758 54.000 0.091 0.000 0.934 2049 D CB 1.902 42.738 40.800 0.061 0.000 1.382 2049 D HN -0.115 nan 8.370 nan 0.000 0.571 2050 P HA -0.028 nan 4.420 nan 0.000 0.218 2050 P C 1.523 178.888 177.300 0.108 0.000 1.152 2050 P CA 0.208 63.395 63.100 0.145 0.000 0.826 2050 P CB 0.456 32.252 31.700 0.160 0.000 0.790 2051 V N -0.486 119.501 119.914 0.122 0.000 2.343 2051 V HA -0.181 3.937 4.120 -0.003 0.000 0.247 2051 V C 2.110 178.340 176.094 0.227 0.000 1.051 2051 V CA 1.742 64.133 62.300 0.151 0.000 1.036 2051 V CB -0.918 30.981 31.823 0.126 0.000 0.654 2051 V HN 0.092 nan 8.190 nan 0.000 0.451 2052 L N -1.125 120.213 121.223 0.192 0.000 2.731 2052 L HA 0.328 4.667 4.340 -0.003 0.000 0.240 2052 L C 0.650 177.689 176.870 0.281 0.000 1.120 2052 L CA 0.227 55.235 54.840 0.279 0.000 0.913 2052 L CB 0.238 42.334 42.059 0.061 0.000 1.213 2052 L HN 0.312 nan 8.230 nan 0.000 0.515 2053 N N 0.616 119.370 118.700 0.091 0.000 2.711 2053 N HA 0.186 4.925 4.740 -0.003 0.000 0.263 2053 N C -2.679 172.750 175.510 -0.135 0.000 1.667 2053 N CA -1.227 51.810 53.050 -0.022 0.000 0.785 2053 N CB 1.341 39.814 38.487 -0.023 0.000 1.231 2053 N HN -0.122 nan 8.380 nan 0.000 0.503 2054 P HA 0.052 nan 4.420 nan 0.000 0.274 2054 P C 1.211 178.389 177.300 -0.204 0.000 1.246 2054 P CA -0.404 62.492 63.100 -0.340 0.000 0.795 2054 P CB 0.788 31.895 31.700 -0.989 0.000 1.006 2055 M N -0.284 119.433 119.600 0.196 0.000 2.195 2055 M HA -0.117 4.361 4.480 -0.003 0.000 0.260 2055 M C 1.720 178.152 176.300 0.220 0.000 1.066 2055 M CA 1.994 57.558 55.300 0.439 0.000 1.089 2055 M CB -1.365 31.427 32.600 0.321 0.000 1.377 2055 M HN 0.402 nan 8.290 nan 0.000 0.411 2056 W N 0.978 122.364 121.300 0.142 0.000 2.721 2056 W HA 0.139 4.798 4.660 -0.003 0.000 0.245 2056 W C 1.784 178.362 176.519 0.099 0.000 1.276 2056 W CA 0.242 57.647 57.345 0.099 0.000 1.342 2056 W CB -0.578 28.904 29.460 0.036 0.000 1.135 2056 W HN 0.094 nan 8.180 nan 0.000 0.654 2057 R N 0.093 120.474 120.500 -0.199 0.000 2.206 2057 R HA -0.011 4.328 4.340 -0.003 0.000 0.198 2057 R C 2.134 178.450 176.300 0.025 0.000 0.986 2057 R CA 0.596 56.649 56.100 -0.079 0.000 1.029 2057 R CB -0.033 30.136 30.300 -0.218 0.000 0.966 2057 R HN 0.249 nan 8.270 nan 0.000 0.487 2058 Q N -0.550 119.260 119.800 0.017 0.000 2.079 2058 Q HA -0.039 4.299 4.340 -0.003 0.000 0.200 2058 Q C 1.048 177.108 176.000 0.100 0.000 0.974 2058 Q CA 1.621 57.436 55.803 0.019 0.000 0.840 2058 Q CB 0.151 28.893 28.738 0.006 0.000 0.898 2058 Q HN 0.539 nan 8.270 nan 0.000 0.430 2059 G N -0.173 108.733 108.800 0.178 0.000 2.155 2059 G HA2 -0.146 3.813 3.960 -0.003 0.000 0.135 2059 G HA3 -0.146 3.813 3.960 -0.003 0.000 0.135 2059 G C -0.007 175.041 174.900 0.247 0.000 1.023 2059 G CA -0.233 44.996 45.100 0.215 0.000 0.688 2059 G HN 0.033 nan 8.290 nan 0.000 0.499 2060 M N 0.278 120.042 119.600 0.274 0.000 2.200 2060 M HA 0.396 4.875 4.480 -0.003 0.000 0.355 2060 M C 1.108 177.630 176.300 0.370 0.000 1.283 2060 M CA -0.137 55.334 55.300 0.284 0.000 1.124 2060 M CB 0.554 33.315 32.600 0.268 0.000 1.625 2060 M HN 0.170 nan 8.290 nan 0.000 0.463 2061 F N 3.576 123.643 119.950 0.195 0.000 2.289 2061 F HA 0.062 4.587 4.527 -0.002 0.000 0.280 2061 F C 1.693 177.678 175.800 0.307 0.000 1.045 2061 F CA 1.068 59.237 58.000 0.281 0.000 1.236 2061 F CB -0.275 38.893 39.000 0.281 0.000 1.116 2061 F HN 0.331 nan 8.300 nan 0.000 0.550 2062 V N 0.668 120.546 119.914 -0.060 0.000 2.307 2062 V HA -0.234 3.885 4.120 -0.003 0.000 0.245 2062 V C 2.454 178.475 176.094 -0.122 0.000 1.045 2062 V CA 1.651 63.822 62.300 -0.215 0.000 1.024 2062 V CB -0.758 30.889 31.823 -0.293 0.000 0.651 2062 V HN 0.395 nan 8.190 nan 0.000 0.449 2063 L N 0.641 121.752 121.223 -0.186 0.000 2.077 2063 L HA -0.242 4.096 4.340 -0.003 0.000 0.231 2063 L C -0.071 176.633 176.870 -0.276 0.000 1.100 2063 L CA 2.930 57.579 54.840 -0.320 0.000 0.819 2063 L CB -1.999 39.895 42.059 -0.275 0.000 0.913 2063 L HN 0.260 nan 8.230 nan 0.000 0.446 2064 P HA -0.222 nan 4.420 nan 0.000 0.218 2064 P C 1.576 178.589 177.300 -0.479 0.000 1.154 2064 P CA 1.880 64.674 63.100 -0.509 0.000 0.872 2064 P CB -0.188 31.055 31.700 -0.760 0.000 0.790 2065 F N -2.408 117.426 119.950 -0.193 0.000 2.367 2065 F HA 0.021 4.546 4.527 -0.003 0.000 0.298 2065 F C 2.419 178.162 175.800 -0.094 0.000 1.094 2065 F CA 0.981 58.933 58.000 -0.080 0.000 1.409 2065 F CB -0.977 38.001 39.000 -0.037 0.000 1.064 2065 F HN -0.160 nan 8.300 nan 0.000 0.528 2066 M N -0.301 119.295 119.600 -0.007 0.000 2.132 2066 M HA -0.144 4.334 4.480 -0.003 0.000 0.263 2066 M C 2.567 178.880 176.300 0.022 0.000 1.065 2066 M CA 1.670 56.944 55.300 -0.044 0.000 1.122 2066 M CB -0.654 31.768 32.600 -0.296 0.000 1.365 2066 M HN 0.176 nan 8.290 nan 0.000 0.411 2067 A N 0.461 123.236 122.820 -0.075 0.000 1.858 2067 A HA -0.211 4.108 4.320 -0.003 0.000 0.216 2067 A C 2.160 179.693 177.584 -0.084 0.000 1.190 2067 A CA 1.919 53.917 52.037 -0.065 0.000 0.617 2067 A CB -0.898 17.940 19.000 -0.271 0.000 0.827 2067 A HN 0.461 nan 8.150 nan 0.000 0.443 2068 R N -0.307 120.076 120.500 -0.196 0.000 2.159 2068 R HA -0.195 4.143 4.340 -0.003 0.000 0.252 2068 R C 1.066 177.455 176.300 0.149 0.000 1.144 2068 R CA 2.101 58.142 56.100 -0.099 0.000 0.961 2068 R CB -0.466 29.790 30.300 -0.075 0.000 0.877 2068 R HN 0.531 nan 8.270 nan 0.000 0.444 2069 L N -0.228 121.116 121.223 0.203 0.000 2.688 2069 L HA 0.227 4.565 4.340 -0.003 0.000 0.234 2069 L C 0.813 177.874 176.870 0.319 0.000 1.192 2069 L CA 0.400 55.440 54.840 0.334 0.000 0.984 2069 L CB 0.575 42.867 42.059 0.388 0.000 1.232 2069 L HN 0.649 nan 8.230 nan 0.000 0.465 2070 G N 0.383 109.335 108.800 0.253 0.000 2.142 2070 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.225 2070 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.225 2070 G C -0.052 174.981 174.900 0.220 0.000 1.015 2070 G CA -0.157 45.081 45.100 0.229 0.000 0.716 2070 G HN 0.118 nan 8.290 nan 0.000 0.508 2071 V N 0.680 120.749 119.914 0.259 0.000 2.333 2071 V HA 0.635 4.753 4.120 -0.003 0.000 0.274 2071 V C 0.980 177.293 176.094 0.366 0.000 1.028 2071 V CA 0.579 63.084 62.300 0.342 0.000 0.851 2071 V CB 1.135 33.239 31.823 0.468 0.000 1.000 2071 V HN 0.275 nan 8.190 nan 0.000 0.456 2072 T N 2.420 117.016 114.554 0.070 0.000 2.954 2072 T HA 0.253 4.601 4.350 -0.003 0.000 0.252 2072 T C 1.053 175.420 174.700 -0.555 0.000 0.983 2072 T CA 0.538 62.535 62.100 -0.171 0.000 0.941 2072 T CB 0.786 69.605 68.868 -0.081 0.000 1.141 2072 T HN 0.767 nan 8.240 nan 0.000 0.500 2073 G N 1.642 110.196 108.800 -0.410 0.000 2.557 2073 G HA2 0.551 4.509 3.960 -0.003 0.000 0.292 2073 G HA3 0.551 4.509 3.960 -0.003 0.000 0.292 2073 G C -0.492 174.125 174.900 -0.471 0.000 1.237 2073 G CA -0.278 44.588 45.100 -0.390 0.000 0.978 2073 G HN 0.381 nan 8.290 nan 0.000 0.498 2074 S N -1.706 113.898 115.700 -0.159 0.000 2.564 2074 S HA 0.291 4.760 4.470 -0.003 0.000 0.274 2074 S C 0.001 174.729 174.600 0.214 0.000 1.124 2074 S CA -0.751 57.475 58.200 0.043 0.000 0.869 2074 S CB 1.304 64.623 63.200 0.198 0.000 1.105 2074 S HN 0.530 nan 8.310 nan 0.000 0.472 2075 W N 2.025 123.318 121.300 -0.012 0.000 2.387 2075 W HA 0.072 4.731 4.660 -0.002 0.000 0.272 2075 W C 2.186 178.689 176.519 -0.027 0.000 1.224 2075 W CA 0.679 58.000 57.345 -0.041 0.000 1.210 2075 W CB -1.194 28.249 29.460 -0.027 0.000 1.125 2075 W HN 0.714 nan 8.180 nan 0.000 0.572 2076 S N -0.966 114.872 115.700 0.231 0.000 2.603 2076 S HA 0.269 4.738 4.470 -0.003 0.000 0.220 2076 S C 1.812 176.485 174.600 0.121 0.000 0.967 2076 S CA 0.910 59.203 58.200 0.155 0.000 0.920 2076 S CB -0.046 63.245 63.200 0.151 0.000 0.773 2076 S HN 0.439 nan 8.310 nan 0.000 0.529 2077 G N 0.772 109.630 108.800 0.098 0.000 2.313 2077 G HA2 -0.271 3.688 3.960 -0.003 0.000 0.215 2077 G HA3 -0.271 3.688 3.960 -0.003 0.000 0.215 2077 G C 0.028 174.950 174.900 0.036 0.000 1.023 2077 G CA -0.250 44.876 45.100 0.042 0.000 0.626 2077 G HN 0.503 nan 8.290 nan 0.000 0.503 2078 W N 4.119 125.402 121.300 -0.029 0.000 2.715 2078 W HA 0.446 5.104 4.660 -0.003 0.000 0.351 2078 W C 0.765 177.229 176.519 -0.091 0.000 1.406 2078 W CA 0.466 57.795 57.345 -0.027 0.000 1.354 2078 W CB 0.073 29.539 29.460 0.010 0.000 1.453 2078 W HN 0.774 nan 8.180 nan 0.000 0.572 2079 S N 5.142 120.286 115.700 -0.927 0.000 2.513 2079 S HA 0.445 4.913 4.470 -0.003 0.000 0.299 2079 S C 0.659 174.706 174.600 -0.921 0.000 1.087 2079 S CA -0.923 56.730 58.200 -0.912 0.000 1.012 2079 S CB 1.452 64.392 63.200 -0.434 0.000 1.044 2079 S HN 0.524 nan 8.310 nan 0.000 0.485 2080 I N 1.578 121.688 120.570 -0.766 0.000 2.394 2080 I HA -0.123 4.045 4.170 -0.003 0.000 0.251 2080 I C 2.258 178.310 176.117 -0.107 0.000 1.136 2080 I CA 1.054 62.140 61.300 -0.357 0.000 1.425 2080 I CB -0.742 37.162 38.000 -0.159 0.000 1.079 2080 I HN 0.684 nan 8.210 nan 0.000 0.425 2081 T N 0.343 114.844 114.554 -0.087 0.000 3.051 2081 T HA 0.001 4.349 4.350 -0.003 0.000 0.269 2081 T C 1.702 176.385 174.700 -0.029 0.000 1.127 2081 T CA 1.164 63.262 62.100 -0.003 0.000 1.107 2081 T CB -0.199 68.667 68.868 -0.002 0.000 0.898 2081 T HN 0.722 nan 8.240 nan 0.000 0.517 2082 G N 1.490 110.236 108.800 -0.089 0.000 2.320 2082 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.242 2082 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.242 2082 G C 0.056 174.922 174.900 -0.056 0.000 1.033 2082 G CA -0.039 45.027 45.100 -0.057 0.000 0.620 2082 G HN 0.561 nan 8.290 nan 0.000 0.517 2083 E N 1.321 121.488 120.200 -0.055 0.000 1.996 2083 E HA 0.459 4.807 4.350 -0.003 0.000 0.280 2083 E C 0.521 177.080 176.600 -0.067 0.000 1.092 2083 E CA 0.233 56.605 56.400 -0.047 0.000 0.862 2083 E CB 0.534 30.214 29.700 -0.033 0.000 1.066 2083 E HN 0.262 nan 8.360 nan 0.000 0.396 2084 T N 1.274 115.791 114.554 -0.063 0.000 3.054 2084 T HA 0.048 4.396 4.350 -0.003 0.000 0.255 2084 T C 1.730 176.397 174.700 -0.055 0.000 1.035 2084 T CA 0.174 62.232 62.100 -0.071 0.000 0.941 2084 T CB 0.599 69.427 68.868 -0.067 0.000 1.026 2084 T HN 0.573 nan 8.240 nan 0.000 0.533 2085 G N 1.778 110.553 108.800 -0.042 0.000 2.479 2085 G HA2 -0.079 3.880 3.960 -0.003 0.000 0.220 2085 G HA3 -0.079 3.880 3.960 -0.003 0.000 0.220 2085 G C 0.953 175.826 174.900 -0.045 0.000 1.115 2085 G CA 0.586 45.664 45.100 -0.036 0.000 0.757 2085 G HN 0.588 nan 8.290 nan 0.000 0.560 2086 I N 0.077 120.616 120.570 -0.052 0.000 3.621 2086 I HA 0.163 4.331 4.170 -0.003 0.000 0.325 2086 I C -0.802 175.267 176.117 -0.080 0.000 1.554 2086 I CA -0.536 60.729 61.300 -0.058 0.000 1.053 2086 I CB 0.893 38.868 38.000 -0.042 0.000 1.302 2086 I HN -0.103 nan 8.210 nan 0.000 0.518 2087 D N 4.427 124.770 120.400 -0.095 0.000 2.347 2087 D HA 0.319 4.957 4.640 -0.003 0.000 0.235 2087 D C -1.897 174.300 176.300 -0.172 0.000 1.149 2087 D CA -1.463 52.465 54.000 -0.120 0.000 0.850 2087 D CB 1.216 41.945 40.800 -0.119 0.000 1.061 2087 D HN 0.085 nan 8.370 nan 0.000 0.487 2088 P HA 0.318 nan 4.420 nan 0.000 0.351 2088 P C 0.123 177.120 177.300 -0.505 0.000 1.672 2088 P CA -0.529 62.310 63.100 -0.434 0.000 1.475 2088 P CB 0.726 32.113 31.700 -0.521 0.000 1.933 2089 G N 0.407 109.070 108.800 -0.228 0.000 2.195 2089 G HA2 -0.033 3.925 3.960 -0.003 0.000 0.264 2089 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.264 2089 G C 0.388 175.225 174.900 -0.106 0.000 1.148 2089 G CA -0.158 44.901 45.100 -0.067 0.000 1.023 2089 G HN 0.099 nan 8.290 nan 0.000 0.429 2090 F N 0.825 120.772 119.950 -0.005 0.000 2.365 2090 F HA 0.097 4.622 4.527 -0.003 0.000 0.300 2090 F C 0.890 176.565 175.800 -0.209 0.000 1.090 2090 F CA 0.807 58.690 58.000 -0.196 0.000 1.408 2090 F CB 0.190 39.090 39.000 -0.166 0.000 1.060 2090 F HN 0.495 nan 8.300 nan 0.000 0.534 2091 W N 0.143 121.688 121.300 0.407 0.000 2.534 2091 W HA 0.328 4.986 4.660 -0.003 0.000 0.292 2091 W C -0.038 176.691 176.519 0.351 0.000 1.027 2091 W CA -0.607 57.008 57.345 0.450 0.000 1.304 2091 W CB 0.651 30.311 29.460 0.332 0.000 1.187 2091 W HN -0.285 nan 8.180 nan 0.000 0.356 2092 S N -0.107 115.943 115.700 0.584 0.000 2.589 2092 S HA 0.488 4.956 4.470 -0.003 0.000 0.272 2092 S C 1.088 175.937 174.600 0.415 0.000 1.096 2092 S CA -0.638 57.796 58.200 0.390 0.000 0.985 2092 S CB 0.390 63.732 63.200 0.237 0.000 1.278 2092 S HN 0.329 nan 8.310 nan 0.000 0.528 2093 F N 1.971 121.996 119.950 0.125 0.000 2.027 2093 F HA -0.203 4.323 4.527 -0.002 0.000 0.297 2093 F C 2.960 178.735 175.800 -0.042 0.000 1.129 2093 F CA 1.525 59.555 58.000 0.049 0.000 1.195 2093 F CB -0.541 38.494 39.000 0.057 0.000 0.960 2093 F HN 0.548 nan 8.300 nan 0.000 0.485 2094 E N 0.488 120.729 120.200 0.068 0.000 2.095 2094 E HA -0.266 4.082 4.350 -0.003 0.000 0.212 2094 E C 2.366 178.730 176.600 -0.392 0.000 1.044 2094 E CA 1.666 57.865 56.400 -0.334 0.000 0.857 2094 E CB -1.248 27.968 29.700 -0.808 0.000 0.764 2094 E HN 0.516 nan 8.360 nan 0.000 0.462 2095 G N 1.098 109.722 108.800 -0.293 0.000 2.408 2095 G HA2 -0.173 3.786 3.960 -0.003 0.000 0.217 2095 G HA3 -0.173 3.786 3.960 -0.003 0.000 0.217 2095 G C 1.855 176.940 174.900 0.307 0.000 1.150 2095 G CA 0.880 46.145 45.100 0.274 0.000 0.776 2095 G HN 0.173 nan 8.290 nan 0.000 0.542 2096 V N 1.538 121.603 119.914 0.252 0.000 2.469 2096 V HA -0.164 3.954 4.120 -0.003 0.000 0.251 2096 V C 3.275 179.452 176.094 0.137 0.000 1.064 2096 V CA 1.903 64.320 62.300 0.196 0.000 1.066 2096 V CB -0.807 31.125 31.823 0.180 0.000 0.667 2096 V HN 0.490 nan 8.190 nan 0.000 0.461 2097 A N 0.149 122.999 122.820 0.050 0.000 1.845 2097 A HA -0.176 4.142 4.320 -0.003 0.000 0.215 2097 A C 2.189 179.794 177.584 0.035 0.000 1.195 2097 A CA 1.911 53.945 52.037 -0.006 0.000 0.616 2097 A CB -0.652 18.313 19.000 -0.058 0.000 0.832 2097 A HN 0.478 nan 8.150 nan 0.000 0.443 2098 L N -0.747 120.495 121.223 0.032 0.000 2.129 2098 L HA -0.276 4.062 4.340 -0.003 0.000 0.212 2098 L C 3.064 179.963 176.870 0.049 0.000 1.087 2098 L CA 1.079 55.951 54.840 0.054 0.000 0.757 2098 L CB -0.872 41.258 42.059 0.117 0.000 0.896 2098 L HN 0.513 nan 8.230 nan 0.000 0.434 2099 A N 0.014 122.861 122.820 0.045 0.000 1.834 2099 A HA -0.273 4.045 4.320 -0.003 0.000 0.216 2099 A C 1.985 179.546 177.584 -0.037 0.000 1.203 2099 A CA 1.992 54.005 52.037 -0.041 0.000 0.621 2099 A CB -1.042 17.928 19.000 -0.050 0.000 0.841 2099 A HN 0.409 nan 8.150 nan 0.000 0.446 2100 H N -0.155 118.889 119.070 -0.043 0.000 2.390 2100 H HA -0.107 4.447 4.556 -0.003 0.000 0.298 2100 H C 1.873 177.184 175.328 -0.028 0.000 1.106 2100 H CA 1.940 57.967 56.048 -0.036 0.000 1.297 2100 H CB -0.368 29.367 29.762 -0.045 0.000 1.375 2100 H HN 0.486 nan 8.280 nan 0.000 0.509 2101 I N -0.682 119.935 120.570 0.077 0.000 2.252 2101 I HA -0.225 3.943 4.170 -0.003 0.000 0.245 2101 I C 2.094 178.220 176.117 0.015 0.000 1.102 2101 I CA 0.761 62.079 61.300 0.031 0.000 1.385 2101 I CB -0.244 37.763 38.000 0.012 0.000 1.064 2101 I HN 0.099 nan 8.210 nan 0.000 0.414 2102 V N 0.854 120.774 119.914 0.010 0.000 2.343 2102 V HA -0.280 3.839 4.120 -0.003 0.000 0.247 2102 V C 2.428 178.521 176.094 -0.001 0.000 1.051 2102 V CA 1.716 64.019 62.300 0.006 0.000 1.036 2102 V CB -0.554 31.268 31.823 -0.001 0.000 0.654 2102 V HN 0.352 nan 8.190 nan 0.000 0.451 2103 L N 0.378 121.581 121.223 -0.032 0.000 1.989 2103 L HA -0.178 4.160 4.340 -0.003 0.000 0.211 2103 L C 2.697 179.570 176.870 0.006 0.000 1.071 2103 L CA 2.535 57.349 54.840 -0.044 0.000 0.749 2103 L CB -0.986 40.997 42.059 -0.127 0.000 0.890 2103 L HN 0.356 nan 8.230 nan 0.000 0.431 2104 S N -0.601 115.109 115.700 0.018 0.000 2.380 2104 S HA -0.204 4.264 4.470 -0.003 0.000 0.229 2104 S C 2.053 176.701 174.600 0.080 0.000 1.043 2104 S CA 1.614 59.843 58.200 0.048 0.000 1.038 2104 S CB -1.043 62.179 63.200 0.037 0.000 0.872 2104 S HN 0.705 nan 8.310 nan 0.000 0.456 2105 G N 1.427 110.260 108.800 0.055 0.000 2.433 2105 G HA2 -0.082 3.877 3.960 -0.003 0.000 0.216 2105 G HA3 -0.082 3.877 3.960 -0.003 0.000 0.216 2105 G C 1.433 176.432 174.900 0.165 0.000 1.186 2105 G CA 0.958 46.107 45.100 0.082 0.000 0.779 2105 G HN 0.516 nan 8.290 nan 0.000 0.543 2106 L N 0.224 121.511 121.223 0.107 0.000 1.943 2106 L HA -0.106 4.233 4.340 -0.003 0.000 0.215 2106 L C 2.981 179.930 176.870 0.131 0.000 1.074 2106 L CA 1.052 55.956 54.840 0.106 0.000 0.759 2106 L CB -0.817 41.275 42.059 0.054 0.000 0.888 2106 L HN 0.168 nan 8.230 nan 0.000 0.433 2107 L N -0.963 120.318 121.223 0.098 0.000 2.064 2107 L HA -0.315 4.023 4.340 -0.003 0.000 0.216 2107 L C 2.638 179.575 176.870 0.112 0.000 1.077 2107 L CA 1.674 56.563 54.840 0.082 0.000 0.766 2107 L CB -0.955 41.140 42.059 0.060 0.000 0.890 2107 L HN 0.224 nan 8.230 nan 0.000 0.435 2108 F N 1.009 120.976 119.950 0.029 0.000 2.025 2108 F HA -0.268 4.258 4.527 -0.003 0.000 0.297 2108 F C 2.401 178.249 175.800 0.080 0.000 1.132 2108 F CA 1.754 59.772 58.000 0.030 0.000 1.191 2108 F CB -0.428 38.586 39.000 0.022 0.000 0.963 2108 F HN -0.166 nan 8.300 nan 0.000 0.481 2109 L N 0.206 121.576 121.223 0.245 0.000 2.021 2109 L HA -0.328 4.010 4.340 -0.003 0.000 0.215 2109 L C 2.833 179.867 176.870 0.273 0.000 1.074 2109 L CA 1.441 56.433 54.840 0.253 0.000 0.760 2109 L CB -1.442 40.822 42.059 0.342 0.000 0.889 2109 L HN 0.409 nan 8.230 nan 0.000 0.433 2110 A N 0.032 122.967 122.820 0.192 0.000 1.859 2110 A HA -0.284 4.034 4.320 -0.003 0.000 0.217 2110 A C 2.573 180.256 177.584 0.165 0.000 1.198 2110 A CA 2.309 54.483 52.037 0.228 0.000 0.629 2110 A CB -1.065 18.010 19.000 0.125 0.000 0.830 2110 A HN 0.445 nan 8.150 nan 0.000 0.446 2111 A N -1.013 121.783 122.820 -0.041 0.000 1.906 2111 A HA -0.378 3.941 4.320 -0.003 0.000 0.222 2111 A C 2.368 179.913 177.584 -0.065 0.000 1.282 2111 A CA 2.325 54.291 52.037 -0.117 0.000 0.675 2111 A CB -1.706 17.155 19.000 -0.232 0.000 0.838 2111 A HN 0.739 nan 8.150 nan 0.000 0.469 2112 C N -2.661 116.502 119.300 -0.227 0.000 2.403 2112 C HA -0.155 4.304 4.460 -0.003 0.000 0.277 2112 C C 2.155 176.974 174.990 -0.284 0.000 1.248 2112 C CA 0.690 59.487 59.018 -0.367 0.000 1.762 2112 C CB -1.435 25.853 27.740 -0.755 0.000 2.014 2112 C HN 0.767 nan 8.230 nan 0.000 0.486 2113 W N -0.815 120.524 121.300 0.065 0.000 3.345 2113 W HA 0.115 4.774 4.660 -0.002 0.000 0.282 2113 W C 1.377 177.987 176.519 0.151 0.000 1.302 2113 W CA 0.419 57.749 57.345 -0.025 0.000 1.724 2113 W CB -0.513 28.808 29.460 -0.231 0.000 1.104 2113 W HN 0.641 nan 8.180 nan 0.000 0.694 2114 H N -3.551 115.647 119.070 0.214 0.000 2.986 2114 H HA 0.042 4.597 4.556 -0.003 0.000 0.267 2114 H C 1.432 176.945 175.328 0.307 0.000 1.072 2114 H CA -0.160 56.042 56.048 0.258 0.000 1.202 2114 H CB -0.563 29.325 29.762 0.209 0.000 1.535 2114 H HN 0.075 nan 8.280 nan 0.000 0.522 2115 W N 0.485 121.892 121.300 0.178 0.000 2.704 2115 W HA 0.122 4.780 4.660 -0.003 0.000 0.266 2115 W C 0.849 177.464 176.519 0.160 0.000 1.266 2115 W CA 0.566 57.971 57.345 0.100 0.000 1.377 2115 W CB 0.361 29.789 29.460 -0.053 0.000 1.082 2115 W HN -0.091 nan 8.180 nan 0.000 0.608 2116 V N -0.893 119.167 119.914 0.243 0.000 2.795 2116 V HA -0.025 4.093 4.120 -0.003 0.000 0.243 2116 V C 0.369 176.696 176.094 0.388 0.000 1.069 2116 V CA 0.776 63.173 62.300 0.160 0.000 1.089 2116 V CB -0.689 31.128 31.823 -0.010 0.000 0.756 2116 V HN 0.007 nan 8.190 nan 0.000 0.471 2117 Y N 1.803 122.174 120.300 0.118 0.000 2.827 2117 Y HA 0.108 4.656 4.550 -0.003 0.000 0.373 2117 Y C 0.906 176.792 175.900 -0.023 0.000 1.198 2117 Y CA -0.862 57.239 58.100 0.002 0.000 1.589 2117 Y CB 0.210 38.699 38.460 0.048 0.000 1.682 2117 Y HN 0.523 nan 8.280 nan 0.000 0.506 2118 W N 0.160 121.510 121.300 0.083 0.000 3.400 2118 W HA 0.262 4.920 4.660 -0.002 0.000 0.347 2118 W C -0.981 175.542 176.519 0.007 0.000 1.218 2118 W CA -0.303 57.063 57.345 0.036 0.000 1.837 2118 W CB -0.254 29.179 29.460 -0.045 0.000 1.067 2118 W HN 0.203 nan 8.180 nan 0.000 0.701 2119 D N 1.484 121.563 120.400 -0.535 0.000 2.326 2119 D HA 0.121 4.760 4.640 -0.003 0.000 0.251 2119 D C 0.511 176.696 176.300 -0.191 0.000 1.023 2119 D CA -0.575 53.137 54.000 -0.481 0.000 0.966 2119 D CB 2.694 43.110 40.800 -0.639 0.000 1.156 2119 D HN -0.084 nan 8.370 nan 0.000 0.494 2120 L N 1.028 122.169 121.223 -0.136 0.000 2.728 2120 L HA 0.124 4.462 4.340 -0.003 0.000 0.235 2120 L C 0.177 177.002 176.870 -0.077 0.000 1.197 2120 L CA 0.347 55.147 54.840 -0.067 0.000 0.992 2120 L CB -0.675 41.368 42.059 -0.027 0.000 1.263 2120 L HN 0.285 nan 8.230 nan 0.000 0.484 2121 E N 0.098 120.229 120.200 -0.114 0.000 2.464 2121 E HA 0.299 4.648 4.350 -0.003 0.000 0.260 2121 E C -0.333 176.223 176.600 -0.074 0.000 1.318 2121 E CA -0.077 56.265 56.400 -0.097 0.000 1.571 2121 E CB 0.444 30.066 29.700 -0.130 0.000 1.525 2121 E HN 0.403 nan 8.360 nan 0.000 0.449 2122 L N -0.818 120.383 121.223 -0.036 0.000 2.348 2122 L HA 0.429 4.768 4.340 -0.003 0.000 0.258 2122 L C 0.285 177.210 176.870 0.092 0.000 1.208 2122 L CA -1.110 53.741 54.840 0.018 0.000 1.241 2122 L CB 0.524 42.596 42.059 0.022 0.000 1.742 2122 L HN 0.194 nan 8.230 nan 0.000 0.544 2123 F N 1.884 121.817 119.950 -0.028 0.000 2.818 2123 F HA 0.212 4.738 4.527 -0.003 0.000 0.303 2123 F C 0.691 176.487 175.800 -0.007 0.000 1.250 2123 F CA -0.105 57.885 58.000 -0.016 0.000 1.409 2123 F CB -0.214 38.780 39.000 -0.010 0.000 1.183 2123 F HN 0.196 nan 8.300 nan 0.000 0.534 2124 R N 1.315 121.703 120.500 -0.187 0.000 2.828 2124 R HA 0.303 4.641 4.340 -0.003 0.000 0.264 2124 R C -1.379 174.808 176.300 -0.188 0.000 1.022 2124 R CA -0.719 55.227 56.100 -0.258 0.000 1.021 2124 R CB 1.147 31.370 30.300 -0.128 0.000 1.163 2124 R HN 0.317 nan 8.270 nan 0.000 0.494 2125 D N 3.410 123.702 120.400 -0.180 0.000 2.408 2125 D HA 0.466 5.104 4.640 -0.003 0.000 0.243 2125 D C -2.347 173.907 176.300 -0.075 0.000 1.075 2125 D CA -1.363 52.570 54.000 -0.112 0.000 0.832 2125 D CB 2.082 42.813 40.800 -0.116 0.000 1.162 2125 D HN 0.309 nan 8.370 nan 0.000 0.515 2126 P HA 0.606 nan 4.420 nan 0.000 0.349 2126 P C -0.458 176.826 177.300 -0.027 0.000 1.117 2126 P CA -0.632 62.447 63.100 -0.035 0.000 0.752 2126 P CB 2.212 33.896 31.700 -0.026 0.000 1.557 2127 R N -2.705 117.785 120.500 -0.017 0.000 2.517 2127 R HA 0.235 4.573 4.340 -0.003 0.000 0.228 2127 R C -0.042 176.256 176.300 -0.004 0.000 0.950 2127 R CA 0.027 56.120 56.100 -0.013 0.000 1.314 2127 R CB -0.010 30.283 30.300 -0.012 0.000 1.739 2127 R HN 0.259 nan 8.270 nan 0.000 0.481 2128 T N 0.838 115.392 114.554 -0.001 0.000 2.889 2128 T HA 0.472 4.820 4.350 -0.003 0.000 0.291 2128 T C 0.360 175.064 174.700 0.006 0.000 0.995 2128 T CA -0.237 61.868 62.100 0.009 0.000 1.092 2128 T CB 1.656 70.534 68.868 0.016 0.000 0.954 2128 T HN 0.273 nan 8.240 nan 0.000 0.506 2129 G N 0.785 109.592 108.800 0.011 0.000 2.377 2129 G HA2 0.331 4.290 3.960 -0.003 0.000 0.299 2129 G HA3 0.331 4.290 3.960 -0.003 0.000 0.299 2129 G C 0.950 175.859 174.900 0.016 0.000 1.150 2129 G CA -0.598 44.507 45.100 0.008 0.000 0.847 2129 G HN 0.900 nan 8.290 nan 0.000 0.501 2130 E N 2.042 122.249 120.200 0.013 0.000 2.136 2130 E HA -0.193 4.155 4.350 -0.003 0.000 0.202 2130 E C -0.619 176.007 176.600 0.043 0.000 1.019 2130 E CA 1.343 57.758 56.400 0.024 0.000 0.819 2130 E CB -0.675 29.033 29.700 0.013 0.000 0.739 2130 E HN 0.391 nan 8.360 nan 0.000 0.458 2131 P HA 0.340 nan 4.420 nan 0.000 0.249 2131 P C -0.967 176.353 177.300 0.033 0.000 1.583 2131 P CA 0.105 63.229 63.100 0.040 0.000 0.988 2131 P CB 0.695 32.414 31.700 0.032 0.000 1.530 2132 A N 0.239 123.080 122.820 0.036 0.000 2.593 2132 A HA 0.810 5.128 4.320 -0.003 0.000 0.290 2132 A C -1.690 175.919 177.584 0.040 0.000 1.126 2132 A CA -0.649 51.411 52.037 0.038 0.000 0.695 2132 A CB 1.281 20.306 19.000 0.042 0.000 1.290 2132 A HN 0.088 nan 8.150 nan 0.000 0.414 2133 L N 1.264 122.513 121.223 0.045 0.000 2.541 2133 L HA 0.305 4.643 4.340 -0.003 0.000 0.266 2133 L C -1.140 175.765 176.870 0.058 0.000 0.966 2133 L CA -0.559 54.308 54.840 0.046 0.000 0.871 2133 L CB 2.078 44.161 42.059 0.041 0.000 1.232 2133 L HN 0.805 nan 8.230 nan 0.000 0.408 2134 D N 4.308 124.745 120.400 0.061 0.000 2.455 2134 D HA 0.145 4.784 4.640 -0.003 0.000 0.234 2134 D C 1.255 177.607 176.300 0.087 0.000 1.224 2134 D CA -0.030 54.021 54.000 0.086 0.000 0.999 2134 D CB 0.809 41.652 40.800 0.072 0.000 1.072 2134 D HN 0.502 nan 8.370 nan 0.000 0.514 2135 L N 4.697 125.973 121.223 0.088 0.000 1.951 2135 L HA -0.191 4.147 4.340 -0.003 0.000 0.222 2135 L C -0.282 176.674 176.870 0.143 0.000 1.078 2135 L CA 1.301 56.194 54.840 0.088 0.000 0.778 2135 L CB -1.985 40.096 42.059 0.037 0.000 0.893 2135 L HN 0.374 nan 8.230 nan 0.000 0.436 2136 P HA -0.212 nan 4.420 nan 0.000 0.221 2136 P C 0.999 178.404 177.300 0.176 0.000 1.141 2136 P CA 1.733 64.965 63.100 0.221 0.000 0.794 2136 P CB -0.007 31.825 31.700 0.221 0.000 0.764 2137 K N -1.213 119.260 120.400 0.122 0.000 2.202 2137 K HA 0.142 4.461 4.320 -0.003 0.000 0.201 2137 K C 2.509 179.137 176.600 0.046 0.000 1.051 2137 K CA 0.703 57.030 56.287 0.066 0.000 0.977 2137 K CB -0.297 32.224 32.500 0.035 0.000 0.792 2137 K HN 0.103 nan 8.250 nan 0.000 0.469 2138 M N 0.670 120.299 119.600 0.048 0.000 2.082 2138 M HA -0.209 4.269 4.480 -0.003 0.000 0.258 2138 M C 2.099 178.447 176.300 0.080 0.000 1.071 2138 M CA 1.921 57.199 55.300 -0.036 0.000 1.103 2138 M CB -0.628 32.001 32.600 0.047 0.000 1.307 2138 M HN 0.161 nan 8.290 nan 0.000 0.409 2139 F N 1.082 121.038 119.950 0.010 0.000 2.032 2139 F HA -0.314 4.212 4.527 -0.002 0.000 0.297 2139 F C 2.283 178.096 175.800 0.021 0.000 1.125 2139 F CA 1.459 59.471 58.000 0.020 0.000 1.202 2139 F CB -0.563 38.404 39.000 -0.055 0.000 0.958 2139 F HN 0.219 nan 8.300 nan 0.000 0.491 2140 G N 1.166 109.994 108.800 0.047 0.000 2.513 2140 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.219 2140 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.219 2140 G C 1.425 176.388 174.900 0.106 0.000 1.160 2140 G CA 1.202 46.289 45.100 -0.022 0.000 0.767 2140 G HN 0.372 nan 8.290 nan 0.000 0.571 2141 I N 0.736 121.349 120.570 0.072 0.000 2.142 2141 I HA -0.144 4.025 4.170 -0.003 0.000 0.240 2141 I C 2.383 178.592 176.117 0.153 0.000 1.078 2141 I CA 1.545 62.884 61.300 0.065 0.000 1.343 2141 I CB -1.674 36.272 38.000 -0.090 0.000 1.046 2141 I HN 0.315 nan 8.210 nan 0.000 0.405 2142 H N -0.182 118.996 119.070 0.181 0.000 2.389 2142 H HA -0.161 4.393 4.556 -0.003 0.000 0.299 2142 H C 2.088 177.526 175.328 0.183 0.000 1.081 2142 H CA 0.970 57.113 56.048 0.157 0.000 1.345 2142 H CB 0.060 29.903 29.762 0.134 0.000 1.393 2142 H HN 0.153 nan 8.280 nan 0.000 0.520 2143 L N 0.323 121.767 121.223 0.368 0.000 1.970 2143 L HA -0.185 4.153 4.340 -0.003 0.000 0.212 2143 L C 2.126 179.146 176.870 0.251 0.000 1.071 2143 L CA 1.540 56.564 54.840 0.307 0.000 0.751 2143 L CB -0.908 41.286 42.059 0.225 0.000 0.889 2143 L HN 0.171 nan 8.230 nan 0.000 0.432 2144 F N 0.167 120.181 119.950 0.108 0.000 2.091 2144 F HA -0.259 4.266 4.527 -0.003 0.000 0.299 2144 F C 2.073 177.941 175.800 0.113 0.000 1.103 2144 F CA 2.015 60.074 58.000 0.098 0.000 1.228 2144 F CB -0.617 38.429 39.000 0.076 0.000 0.984 2144 F HN 0.103 nan 8.300 nan 0.000 0.477 2145 L N -0.510 120.718 121.223 0.008 0.000 2.456 2145 L HA -0.099 4.239 4.340 -0.003 0.000 0.224 2145 L C 2.415 179.261 176.870 -0.040 0.000 1.148 2145 L CA 0.697 55.486 54.840 -0.085 0.000 0.825 2145 L CB -0.869 41.229 42.059 0.065 0.000 0.937 2145 L HN 0.300 nan 8.230 nan 0.000 0.450 2146 A N -0.169 122.666 122.820 0.025 0.000 1.901 2146 A HA 0.117 4.436 4.320 -0.003 0.000 0.210 2146 A C 2.362 179.967 177.584 0.035 0.000 1.208 2146 A CA 0.852 52.913 52.037 0.040 0.000 0.644 2146 A CB -0.969 18.083 19.000 0.087 0.000 0.863 2146 A HN 0.332 nan 8.150 nan 0.000 0.454 2147 G N -0.048 108.779 108.800 0.044 0.000 2.462 2147 G HA2 -0.162 3.797 3.960 -0.003 0.000 0.220 2147 G HA3 -0.162 3.797 3.960 -0.003 0.000 0.220 2147 G C 1.436 176.364 174.900 0.047 0.000 1.121 2147 G CA 1.296 46.433 45.100 0.062 0.000 0.758 2147 G HN 0.401 nan 8.290 nan 0.000 0.559 2148 L N -0.286 120.894 121.223 -0.071 0.000 2.056 2148 L HA 0.128 4.467 4.340 -0.003 0.000 0.207 2148 L C 2.525 179.458 176.870 0.106 0.000 1.078 2148 L CA 1.130 55.952 54.840 -0.030 0.000 0.749 2148 L CB -0.506 41.407 42.059 -0.243 0.000 0.901 2148 L HN 0.163 nan 8.230 nan 0.000 0.433 2149 L N -0.721 120.529 121.223 0.045 0.000 1.955 2149 L HA -0.280 4.059 4.340 -0.003 0.000 0.213 2149 L C 2.748 179.710 176.870 0.153 0.000 1.072 2149 L CA 2.074 56.947 54.840 0.056 0.000 0.755 2149 L CB -1.350 40.710 42.059 0.002 0.000 0.888 2149 L HN 0.514 nan 8.230 nan 0.000 0.432 2150 C N -0.658 118.735 119.300 0.154 0.000 2.369 2150 C HA -0.341 4.117 4.460 -0.003 0.000 0.273 2150 C C 2.807 178.023 174.990 0.377 0.000 1.172 2150 C CA 1.568 60.721 59.018 0.225 0.000 1.791 2150 C CB -1.341 26.540 27.740 0.236 0.000 2.086 2150 C HN 0.622 nan 8.230 nan 0.000 0.459 2151 F N 0.772 120.822 119.950 0.168 0.000 2.025 2151 F HA -0.079 4.446 4.527 -0.003 0.000 0.297 2151 F C 2.341 178.307 175.800 0.276 0.000 1.132 2151 F CA 1.523 59.644 58.000 0.202 0.000 1.191 2151 F CB -0.734 38.366 39.000 0.166 0.000 0.963 2151 F HN 0.367 nan 8.300 nan 0.000 0.481 2152 G N -0.021 108.939 108.800 0.267 0.000 2.491 2152 G HA2 -0.393 3.566 3.960 -0.003 0.000 0.218 2152 G HA3 -0.393 3.566 3.960 -0.003 0.000 0.218 2152 G C 1.421 176.519 174.900 0.330 0.000 1.180 2152 G CA 0.887 46.131 45.100 0.239 0.000 0.774 2152 G HN 0.493 nan 8.290 nan 0.000 0.562 2153 F N 2.517 122.532 119.950 0.108 0.000 2.147 2153 F HA -0.102 4.424 4.527 -0.003 0.000 0.301 2153 F C 2.440 178.330 175.800 0.148 0.000 1.084 2153 F CA 1.895 59.923 58.000 0.047 0.000 1.268 2153 F CB -0.397 38.515 39.000 -0.145 0.000 1.009 2153 F HN 0.112 nan 8.300 nan 0.000 0.486 2154 G N -1.210 107.648 108.800 0.096 0.000 2.459 2154 G HA2 0.082 4.040 3.960 -0.003 0.000 0.213 2154 G HA3 0.082 4.040 3.960 -0.003 0.000 0.213 2154 G C 1.709 176.656 174.900 0.080 0.000 1.155 2154 G CA 0.495 45.639 45.100 0.073 0.000 0.811 2154 G HN 0.597 nan 8.290 nan 0.000 0.534 2155 A N 0.375 123.276 122.820 0.135 0.000 1.855 2155 A HA 0.342 4.661 4.320 -0.003 0.000 0.213 2155 A C 2.049 179.534 177.584 -0.165 0.000 1.195 2155 A CA 1.113 53.113 52.037 -0.062 0.000 0.610 2155 A CB -0.328 18.487 19.000 -0.309 0.000 0.837 2155 A HN 0.236 nan 8.150 nan 0.000 0.444 2156 F N -1.480 118.480 119.950 0.018 0.000 2.208 2156 F HA 0.131 4.657 4.527 -0.003 0.000 0.282 2156 F C 2.216 178.106 175.800 0.151 0.000 1.071 2156 F CA 0.981 59.057 58.000 0.127 0.000 1.228 2156 F CB -1.276 37.763 39.000 0.066 0.000 1.088 2156 F HN 0.366 nan 8.300 nan 0.000 0.512 2157 H N 0.829 120.032 119.070 0.221 0.000 2.287 2157 H HA -0.187 4.367 4.556 -0.003 0.000 0.292 2157 H C 2.058 177.385 175.328 -0.001 0.000 1.068 2157 H CA 2.578 58.678 56.048 0.086 0.000 1.192 2157 H CB -0.544 29.187 29.762 -0.050 0.000 1.360 2157 H HN 0.114 nan 8.280 nan 0.000 0.516 2158 L N -0.605 120.653 121.223 0.058 0.000 2.191 2158 L HA -0.141 4.197 4.340 -0.003 0.000 0.212 2158 L C 2.105 178.979 176.870 0.006 0.000 1.103 2158 L CA 1.622 56.460 54.840 -0.004 0.000 0.769 2158 L CB -0.348 41.635 42.059 -0.126 0.000 0.908 2158 L HN 0.410 nan 8.230 nan 0.000 0.438 2159 T N -0.926 113.636 114.554 0.013 0.000 3.100 2159 T HA 0.179 4.527 4.350 -0.003 0.000 0.253 2159 T C 1.463 176.170 174.700 0.010 0.000 1.118 2159 T CA 0.773 62.877 62.100 0.006 0.000 1.058 2159 T CB 0.395 69.257 68.868 -0.009 0.000 0.953 2159 T HN 0.613 nan 8.240 nan 0.000 0.515 2160 G N 1.151 109.964 108.800 0.022 0.000 2.195 2160 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.246 2160 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.246 2160 G C 0.941 175.846 174.900 0.008 0.000 0.984 2160 G CA 0.231 45.337 45.100 0.009 0.000 0.633 2160 G HN 0.496 nan 8.290 nan 0.000 0.525 2161 L N -1.371 119.881 121.223 0.048 0.000 2.081 2161 L HA 0.012 4.350 4.340 -0.003 0.000 0.212 2161 L C 2.214 179.039 176.870 -0.076 0.000 1.080 2161 L CA 1.815 56.678 54.840 0.038 0.000 0.754 2161 L CB -0.281 41.872 42.059 0.156 0.000 0.893 2161 L HN 0.323 nan 8.230 nan 0.000 0.433 2162 F N -1.764 118.229 119.950 0.073 0.000 2.706 2162 F HA 0.284 4.810 4.527 -0.003 0.000 0.313 2162 F C 1.492 177.294 175.800 0.004 0.000 1.096 2162 F CA 0.529 58.566 58.000 0.061 0.000 1.219 2162 F CB 1.011 40.072 39.000 0.101 0.000 1.051 2162 F HN 0.087 nan 8.300 nan 0.000 0.568 2163 G N 0.620 109.448 108.800 0.047 0.000 2.358 2163 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.224 2163 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.224 2163 G C -1.608 173.271 174.900 -0.035 0.000 1.073 2163 G CA -0.002 45.103 45.100 0.010 0.000 0.635 2163 G HN 0.154 nan 8.290 nan 0.000 0.509 2164 P HA 0.366 nan 4.420 nan 0.000 0.231 2164 P C 1.150 178.322 177.300 -0.214 0.000 1.756 2164 P CA 0.881 63.831 63.100 -0.251 0.000 0.990 2164 P CB -0.192 31.148 31.700 -0.599 0.000 1.973 2165 G N 1.596 110.368 108.800 -0.046 0.000 2.794 2165 G HA2 0.084 4.042 3.960 -0.003 0.000 0.249 2165 G HA3 0.084 4.042 3.960 -0.003 0.000 0.249 2165 G C -0.022 174.942 174.900 0.105 0.000 1.236 2165 G CA -0.475 44.638 45.100 0.021 0.000 0.880 2165 G HN 0.375 nan 8.290 nan 0.000 0.586 2166 M N 0.141 119.822 119.600 0.135 0.000 2.267 2166 M HA 0.368 4.846 4.480 -0.003 0.000 0.303 2166 M C -0.109 176.343 176.300 0.252 0.000 1.164 2166 M CA -0.947 54.482 55.300 0.215 0.000 1.060 2166 M CB 1.146 33.857 32.600 0.186 0.000 1.455 2166 M HN 0.699 nan 8.290 nan 0.000 0.483 2167 W N 3.734 125.090 121.300 0.093 0.000 2.315 2167 W HA 0.548 5.207 4.660 -0.003 0.000 0.316 2167 W C -2.254 174.308 176.519 0.071 0.000 1.211 2167 W CA -0.576 56.815 57.345 0.077 0.000 1.201 2167 W CB 0.526 30.032 29.460 0.076 0.000 1.184 2167 W HN 0.363 nan 8.180 nan 0.000 0.544 2168 V N 4.887 124.586 119.914 -0.359 0.000 2.960 2168 V HA 0.638 4.757 4.120 -0.003 0.000 0.315 2168 V C -0.312 175.425 176.094 -0.595 0.000 1.087 2168 V CA -0.693 61.410 62.300 -0.329 0.000 0.982 2168 V CB 1.952 33.680 31.823 -0.159 0.000 1.039 2168 V HN 0.618 nan 8.190 nan 0.000 0.437 2169 S N 0.966 116.501 115.700 -0.274 0.000 2.550 2169 S HA 0.429 4.897 4.470 -0.003 0.000 0.270 2169 S C -1.245 173.330 174.600 -0.042 0.000 1.145 2169 S CA -0.962 57.130 58.200 -0.180 0.000 0.852 2169 S CB 1.830 65.014 63.200 -0.027 0.000 1.119 2169 S HN 0.955 nan 8.310 nan 0.000 0.465 2170 D N 0.931 121.332 120.400 0.002 0.000 2.447 2170 D HA 0.283 4.922 4.640 -0.003 0.000 0.265 2170 D C -1.837 174.498 176.300 0.059 0.000 1.250 2170 D CA -1.122 52.899 54.000 0.035 0.000 1.046 2170 D CB -0.367 40.471 40.800 0.064 0.000 1.095 2170 D HN 0.141 nan 8.370 nan 0.000 0.555 2171 P HA -0.091 nan 4.420 nan 0.000 0.214 2171 P C 0.768 178.104 177.300 0.060 0.000 1.162 2171 P CA 1.502 64.556 63.100 -0.077 0.000 0.879 2171 P CB -0.037 31.500 31.700 -0.271 0.000 0.786 2172 Y N -0.881 119.591 120.300 0.287 0.000 2.504 2172 Y HA 0.316 4.864 4.550 -0.003 0.000 0.235 2172 Y C 2.281 178.429 175.900 0.412 0.000 1.024 2172 Y CA 0.376 58.735 58.100 0.431 0.000 1.161 2172 Y CB -1.276 37.367 38.460 0.305 0.000 1.045 2172 Y HN -0.166 nan 8.280 nan 0.000 0.480 2173 G N 0.852 109.914 108.800 0.438 0.000 2.050 2173 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.870 2173 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.870 2173 G C -0.848 174.192 174.900 0.233 0.000 1.259 2173 G CA 0.254 45.482 45.100 0.213 0.000 1.276 2173 G HN 0.299 nan 8.290 nan 0.000 0.686 2174 L N -1.175 120.128 121.223 0.132 0.000 2.457 2174 L HA 0.608 4.946 4.340 -0.003 0.000 0.252 2174 L C 0.553 177.466 176.870 0.072 0.000 1.132 2174 L CA 0.139 55.069 54.840 0.150 0.000 0.938 2174 L CB 1.710 43.866 42.059 0.162 0.000 1.246 2174 L HN 0.430 nan 8.230 nan 0.000 0.476 2175 T N 1.508 116.078 114.554 0.026 0.000 3.275 2175 T HA 0.413 4.761 4.350 -0.003 0.000 0.298 2175 T C 0.476 175.108 174.700 -0.114 0.000 0.988 2175 T CA 0.235 62.322 62.100 -0.022 0.000 0.936 2175 T CB -0.191 68.675 68.868 -0.003 0.000 1.159 2175 T HN 0.640 nan 8.240 nan 0.000 0.519 2176 G N 0.872 109.546 108.800 -0.210 0.000 2.320 2176 G HA2 0.537 4.495 3.960 -0.003 0.000 0.300 2176 G HA3 0.537 4.495 3.960 -0.003 0.000 0.300 2176 G C -0.594 173.877 174.900 -0.715 0.000 1.126 2176 G CA -0.222 44.559 45.100 -0.532 0.000 0.896 2176 G HN 0.313 nan 8.290 nan 0.000 0.436 2177 S N 1.115 116.510 115.700 -0.508 0.000 2.632 2177 S HA 0.544 5.012 4.470 -0.003 0.000 0.289 2177 S C -0.168 174.316 174.600 -0.193 0.000 1.115 2177 S CA -0.578 57.460 58.200 -0.270 0.000 0.889 2177 S CB 1.724 64.864 63.200 -0.099 0.000 1.116 2177 S HN 0.515 nan 8.310 nan 0.000 0.486 2178 V N 3.644 123.578 119.914 0.034 0.000 2.529 2178 V HA 0.304 4.422 4.120 -0.003 0.000 0.292 2178 V C 0.113 176.226 176.094 0.031 0.000 1.028 2178 V CA 0.524 62.883 62.300 0.097 0.000 1.074 2178 V CB 0.383 32.322 31.823 0.193 0.000 0.958 2178 V HN 0.778 nan 8.190 nan 0.000 0.481 2179 Q N 4.821 124.631 119.800 0.018 0.000 2.379 2179 Q HA 0.394 4.733 4.340 -0.003 0.000 0.278 2179 Q C -2.720 173.290 176.000 0.016 0.000 1.068 2179 Q CA -2.013 53.793 55.803 0.005 0.000 0.816 2179 Q CB 2.712 31.438 28.738 -0.020 0.000 1.387 2179 Q HN 0.435 nan 8.270 nan 0.000 0.413 2180 P HA -0.079 nan 4.420 nan 0.000 0.266 2180 P C -1.123 176.184 177.300 0.012 0.000 1.180 2180 P CA 0.213 63.320 63.100 0.011 0.000 0.765 2180 P CB 0.459 32.162 31.700 0.004 0.000 0.806 2181 V N 1.996 121.918 119.914 0.013 0.000 2.487 2181 V HA 0.635 4.754 4.120 -0.003 0.000 0.298 2181 V C 0.118 176.208 176.094 -0.006 0.000 1.028 2181 V CA -0.741 61.564 62.300 0.009 0.000 0.860 2181 V CB 1.594 33.430 31.823 0.022 0.000 0.991 2181 V HN 0.644 nan 8.190 nan 0.000 0.427 2182 A N 7.056 129.870 122.820 -0.011 0.000 2.317 2182 A HA 0.954 5.272 4.320 -0.003 0.000 0.327 2182 A C -2.583 174.966 177.584 -0.058 0.000 1.178 2182 A CA -1.619 50.407 52.037 -0.020 0.000 0.817 2182 A CB 1.177 20.180 19.000 0.005 0.000 1.189 2182 A HN 0.623 nan 8.150 nan 0.000 0.489 2183 P HA 0.352 nan 4.420 nan 0.000 0.294 2183 P C -1.257 175.867 177.300 -0.293 0.000 1.294 2183 P CA -0.302 62.632 63.100 -0.276 0.000 0.827 2183 P CB 1.357 32.753 31.700 -0.506 0.000 0.992 2184 E N 2.302 122.392 120.200 -0.183 0.000 2.149 2184 E HA 0.191 4.539 4.350 -0.003 0.000 0.255 2184 E C -0.364 176.253 176.600 0.029 0.000 0.888 2184 E CA -0.792 55.605 56.400 -0.004 0.000 0.742 2184 E CB 0.148 29.882 29.700 0.056 0.000 1.164 2184 E HN 0.313 nan 8.360 nan 0.000 0.422 2185 W N 3.544 124.878 121.300 0.057 0.000 2.424 2185 W HA -0.027 4.631 4.660 -0.003 0.000 0.264 2185 W C 1.483 178.010 176.519 0.014 0.000 1.229 2185 W CA 0.622 57.998 57.345 0.051 0.000 1.208 2185 W CB -0.758 28.717 29.460 0.025 0.000 1.127 2185 W HN 0.650 nan 8.180 nan 0.000 0.588 2186 G N 1.371 110.302 108.800 0.219 0.000 2.311 2186 G HA2 0.023 3.981 3.960 -0.003 0.000 0.274 2186 G HA3 0.023 3.981 3.960 -0.003 0.000 0.274 2186 G C -1.410 173.522 174.900 0.053 0.000 1.511 2186 G CA 0.610 45.769 45.100 0.098 0.000 1.041 2186 G HN 0.043 nan 8.290 nan 0.000 0.527 2187 P HA 0.167 nan 4.420 nan 0.000 0.219 2187 P C 1.111 178.508 177.300 0.162 0.000 1.129 2187 P CA 0.507 63.661 63.100 0.090 0.000 0.910 2187 P CB 0.437 32.163 31.700 0.042 0.000 0.853 2188 D N 0.356 120.821 120.400 0.109 0.000 2.286 2188 D HA -0.158 4.481 4.640 -0.003 0.000 0.195 2188 D C 1.630 177.996 176.300 0.110 0.000 1.012 2188 D CA 1.914 55.972 54.000 0.097 0.000 0.901 2188 D CB -0.878 39.966 40.800 0.074 0.000 0.903 2188 D HN 0.268 nan 8.370 nan 0.000 0.451 2189 G N -1.579 107.297 108.800 0.128 0.000 3.707 2189 G HA2 0.102 4.061 3.960 -0.003 0.000 0.286 2189 G HA3 0.102 4.061 3.960 -0.003 0.000 0.286 2189 G C 0.506 175.512 174.900 0.177 0.000 1.112 2189 G CA -0.420 44.746 45.100 0.110 0.000 0.861 2189 G HN 0.061 nan 8.290 nan 0.000 0.534 2190 F N 1.649 121.604 119.950 0.008 0.000 2.656 2190 F HA 0.204 4.729 4.527 -0.003 0.000 0.291 2190 F C 1.431 177.218 175.800 -0.022 0.000 1.122 2190 F CA -0.922 57.081 58.000 0.005 0.000 1.427 2190 F CB -0.012 39.003 39.000 0.024 0.000 1.125 2190 F HN 0.288 nan 8.300 nan 0.000 0.583 2191 N N 1.937 120.634 118.700 -0.005 0.000 2.294 2191 N HA 0.062 4.801 4.740 -0.003 0.000 0.248 2191 N C -1.964 173.409 175.510 -0.229 0.000 1.300 2191 N CA -0.972 52.007 53.050 -0.118 0.000 0.925 2191 N CB -0.871 37.609 38.487 -0.010 0.000 1.188 2191 N HN -0.053 nan 8.380 nan 0.000 0.512 2192 P HA 0.006 nan 4.420 nan 0.000 0.249 2192 P C -0.006 176.965 177.300 -0.550 0.000 1.229 2192 P CA 0.830 63.629 63.100 -0.501 0.000 0.788 2192 P CB -0.027 31.301 31.700 -0.620 0.000 1.072 2193 Y N -0.674 119.594 120.300 -0.053 0.000 2.479 2193 Y HA 0.166 4.714 4.550 -0.003 0.000 0.283 2193 Y C 1.412 177.300 175.900 -0.019 0.000 1.109 2193 Y CA -0.263 57.816 58.100 -0.036 0.000 1.239 2193 Y CB -0.617 37.820 38.460 -0.038 0.000 1.108 2193 Y HN -0.043 nan 8.280 nan 0.000 0.548 2194 N N 2.323 121.081 118.700 0.098 0.000 2.401 2194 N HA 0.053 4.791 4.740 -0.003 0.000 0.255 2194 N C -2.204 173.321 175.510 0.026 0.000 1.110 2194 N CA -1.392 51.696 53.050 0.064 0.000 0.949 2194 N CB 1.284 39.803 38.487 0.052 0.000 1.110 2194 N HN -0.014 nan 8.380 nan 0.000 0.490 2195 P HA -0.104 nan 4.420 nan 0.000 0.221 2195 P C 1.063 178.361 177.300 -0.003 0.000 1.141 2195 P CA 0.871 63.989 63.100 0.029 0.000 0.794 2195 P CB 0.107 31.837 31.700 0.050 0.000 0.764 2196 G N -0.639 108.151 108.800 -0.016 0.000 2.471 2196 G HA2 -0.172 3.787 3.960 -0.003 0.000 0.219 2196 G HA3 -0.172 3.787 3.960 -0.003 0.000 0.219 2196 G C 1.675 176.527 174.900 -0.081 0.000 1.125 2196 G CA 0.723 45.787 45.100 -0.060 0.000 0.775 2196 G HN 0.376 nan 8.290 nan 0.000 0.548 2197 G N 0.237 109.009 108.800 -0.048 0.000 2.448 2197 G HA2 -0.016 3.943 3.960 -0.003 0.000 0.218 2197 G HA3 -0.016 3.943 3.960 -0.003 0.000 0.218 2197 G C 1.650 176.501 174.900 -0.081 0.000 1.135 2197 G CA 1.071 46.136 45.100 -0.058 0.000 0.784 2197 G HN 0.313 nan 8.290 nan 0.000 0.543 2198 V N 0.566 120.437 119.914 -0.072 0.000 2.256 2198 V HA -0.122 3.996 4.120 -0.003 0.000 0.240 2198 V C 2.910 179.000 176.094 -0.007 0.000 1.036 2198 V CA 1.273 63.531 62.300 -0.070 0.000 1.008 2198 V CB -0.698 31.139 31.823 0.024 0.000 0.648 2198 V HN 0.194 nan 8.190 nan 0.000 0.453 2199 V N 0.656 120.577 119.914 0.011 0.000 2.250 2199 V HA -0.350 3.768 4.120 -0.003 0.000 0.250 2199 V C 2.799 178.854 176.094 -0.065 0.000 1.060 2199 V CA 2.459 64.763 62.300 0.007 0.000 1.030 2199 V CB -1.356 30.436 31.823 -0.052 0.000 0.643 2199 V HN 0.573 nan 8.190 nan 0.000 0.445 2200 A N -0.673 122.011 122.820 -0.226 0.000 1.873 2200 A HA -0.355 3.963 4.320 -0.003 0.000 0.218 2200 A C 2.014 179.503 177.584 -0.159 0.000 1.193 2200 A CA 2.681 54.441 52.037 -0.463 0.000 0.629 2200 A CB -1.012 17.678 19.000 -0.516 0.000 0.826 2200 A HN 0.820 nan 8.150 nan 0.000 0.447 2201 H N -0.863 118.127 119.070 -0.132 0.000 2.497 2201 H HA -0.292 4.263 4.556 -0.003 0.000 0.294 2201 H C 1.891 177.228 175.328 0.014 0.000 1.056 2201 H CA 2.714 58.711 56.048 -0.085 0.000 1.124 2201 H CB -0.761 28.846 29.762 -0.258 0.000 1.407 2201 H HN 0.699 nan 8.280 nan 0.000 0.617 2202 H N -0.682 118.552 119.070 0.273 0.000 2.407 2202 H HA -0.188 4.366 4.556 -0.003 0.000 0.293 2202 H C 2.531 177.967 175.328 0.181 0.000 1.122 2202 H CA 1.491 57.700 56.048 0.267 0.000 1.232 2202 H CB -0.205 29.795 29.762 0.397 0.000 1.361 2202 H HN 0.372 nan 8.280 nan 0.000 0.498 2203 I N 0.154 120.891 120.570 0.278 0.000 2.163 2203 I HA -0.250 3.918 4.170 -0.003 0.000 0.240 2203 I C 2.796 179.002 176.117 0.147 0.000 1.081 2203 I CA 0.886 62.367 61.300 0.301 0.000 1.353 2203 I CB -0.384 37.782 38.000 0.276 0.000 1.054 2203 I HN 0.329 nan 8.210 nan 0.000 0.407 2204 A N 0.894 123.797 122.820 0.138 0.000 1.858 2204 A HA -0.132 4.187 4.320 -0.003 0.000 0.216 2204 A C 2.538 180.110 177.584 -0.019 0.000 1.190 2204 A CA 1.875 53.977 52.037 0.109 0.000 0.617 2204 A CB -1.000 18.103 19.000 0.172 0.000 0.827 2204 A HN 0.419 nan 8.150 nan 0.000 0.443 2205 A N -0.569 122.186 122.820 -0.108 0.000 1.972 2205 A HA 0.123 4.441 4.320 -0.003 0.000 0.219 2205 A C 2.339 179.921 177.584 -0.002 0.000 1.169 2205 A CA 1.889 53.862 52.037 -0.106 0.000 0.635 2205 A CB -1.285 17.551 19.000 -0.273 0.000 0.810 2205 A HN 0.737 nan 8.150 nan 0.000 0.446 2206 G N 0.054 108.875 108.800 0.035 0.000 2.418 2206 G HA2 -0.140 3.819 3.960 -0.003 0.000 0.217 2206 G HA3 -0.140 3.819 3.960 -0.003 0.000 0.217 2206 G C 1.399 176.237 174.900 -0.103 0.000 1.158 2206 G CA 1.078 46.211 45.100 0.055 0.000 0.771 2206 G HN 0.360 nan 8.290 nan 0.000 0.545 2207 I N 1.000 121.417 120.570 -0.254 0.000 2.163 2207 I HA -0.106 4.063 4.170 -0.003 0.000 0.240 2207 I C 3.007 179.082 176.117 -0.070 0.000 1.081 2207 I CA 0.736 61.879 61.300 -0.262 0.000 1.353 2207 I CB -1.166 36.673 38.000 -0.269 0.000 1.054 2207 I HN 0.029 nan 8.210 nan 0.000 0.407 2208 V N 1.372 121.262 119.914 -0.039 0.000 2.469 2208 V HA -0.218 3.901 4.120 -0.003 0.000 0.251 2208 V C 2.643 178.769 176.094 0.053 0.000 1.064 2208 V CA 1.950 64.251 62.300 0.002 0.000 1.066 2208 V CB -1.517 30.308 31.823 0.003 0.000 0.667 2208 V HN 0.535 nan 8.190 nan 0.000 0.461 2209 G N -0.147 108.693 108.800 0.067 0.000 2.402 2209 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.216 2209 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.216 2209 G C 1.542 176.559 174.900 0.196 0.000 1.162 2209 G CA 0.897 46.069 45.100 0.120 0.000 0.777 2209 G HN 0.468 nan 8.290 nan 0.000 0.539 2210 I N 0.557 121.239 120.570 0.187 0.000 2.069 2210 I HA -0.224 3.944 4.170 -0.003 0.000 0.237 2210 I C 2.704 179.071 176.117 0.416 0.000 1.053 2210 I CA 1.102 62.639 61.300 0.395 0.000 1.311 2210 I CB -0.365 37.800 38.000 0.274 0.000 1.030 2210 I HN 0.155 nan 8.210 nan 0.000 0.398 2211 I N 0.864 121.572 120.570 0.230 0.000 2.039 2211 I HA -0.369 3.799 4.170 -0.003 0.000 0.233 2211 I C 2.852 179.113 176.117 0.240 0.000 1.040 2211 I CA 1.692 63.112 61.300 0.199 0.000 1.308 2211 I CB -0.653 37.365 38.000 0.030 0.000 1.035 2211 I HN 0.253 nan 8.210 nan 0.000 0.392 2212 A N 0.860 123.765 122.820 0.141 0.000 2.023 2212 A HA -0.280 4.038 4.320 -0.003 0.000 0.223 2212 A C 2.302 180.012 177.584 0.209 0.000 1.180 2212 A CA 2.423 54.553 52.037 0.154 0.000 0.659 2212 A CB -1.698 17.375 19.000 0.122 0.000 0.817 2212 A HN 0.625 nan 8.150 nan 0.000 0.466 2213 G N -0.370 108.571 108.800 0.236 0.000 2.484 2213 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.215 2213 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.215 2213 G C 1.517 176.473 174.900 0.093 0.000 1.219 2213 G CA 0.948 46.180 45.100 0.219 0.000 0.791 2213 G HN 0.465 nan 8.290 nan 0.000 0.550 2214 L N -0.642 120.585 121.223 0.007 0.000 2.051 2214 L HA -0.116 4.222 4.340 -0.003 0.000 0.214 2214 L C 2.419 179.189 176.870 -0.166 0.000 1.076 2214 L CA 1.026 55.760 54.840 -0.176 0.000 0.758 2214 L CB -0.452 41.513 42.059 -0.156 0.000 0.890 2214 L HN 0.130 nan 8.230 nan 0.000 0.433 2215 F N -2.185 117.714 119.950 -0.084 0.000 2.731 2215 F HA 0.028 4.553 4.527 -0.003 0.000 0.304 2215 F C 2.062 177.761 175.800 -0.169 0.000 1.133 2215 F CA 0.398 58.331 58.000 -0.111 0.000 1.380 2215 F CB -0.323 38.612 39.000 -0.108 0.000 1.079 2215 F HN 0.123 nan 8.300 nan 0.000 0.550 2216 H N -1.386 117.674 119.070 -0.017 0.000 3.046 2216 H HA 0.331 4.886 4.556 -0.003 0.000 0.262 2216 H C 2.065 177.329 175.328 -0.107 0.000 1.044 2216 H CA 0.457 56.441 56.048 -0.107 0.000 1.209 2216 H CB 0.646 30.241 29.762 -0.279 0.000 1.507 2216 H HN 0.252 nan 8.280 nan 0.000 0.507 2217 I N -0.002 120.567 120.570 -0.002 0.000 2.494 2217 I HA -0.135 4.033 4.170 -0.003 0.000 0.250 2217 I C 2.063 178.133 176.117 -0.079 0.000 1.112 2217 I CA 0.520 61.793 61.300 -0.044 0.000 1.438 2217 I CB 0.139 38.080 38.000 -0.099 0.000 1.111 2217 I HN 0.065 nan 8.210 nan 0.000 0.431 2218 L N 0.284 121.421 121.223 -0.144 0.000 2.007 2218 L HA -0.010 4.328 4.340 -0.003 0.000 0.205 2218 L C 1.077 177.878 176.870 -0.114 0.000 1.073 2218 L CA 0.717 55.457 54.840 -0.167 0.000 0.744 2218 L CB -0.504 41.380 42.059 -0.291 0.000 0.898 2218 L HN -0.036 nan 8.230 nan 0.000 0.435 2219 V N 0.344 120.194 119.914 -0.107 0.000 3.051 2219 V HA 0.107 4.225 4.120 -0.003 0.000 0.306 2219 V C 0.420 176.490 176.094 -0.040 0.000 1.083 2219 V CA -0.146 62.112 62.300 -0.070 0.000 1.104 2219 V CB 1.105 32.888 31.823 -0.066 0.000 1.027 2219 V HN 0.280 nan 8.190 nan 0.000 0.483 2220 R N 2.046 122.535 120.500 -0.018 0.000 2.873 2220 R HA 0.445 4.784 4.340 -0.003 0.000 0.264 2220 R C -2.620 173.703 176.300 0.039 0.000 1.026 2220 R CA -2.018 54.094 56.100 0.020 0.000 1.002 2220 R CB 1.205 31.510 30.300 0.008 0.000 1.174 2220 R HN 0.452 nan 8.270 nan 0.000 0.488 2221 P HA -0.056 nan 4.420 nan 0.000 0.257 2221 P C -2.037 175.309 177.300 0.076 0.000 1.162 2221 P CA -0.370 62.807 63.100 0.128 0.000 0.762 2221 P CB 0.205 32.054 31.700 0.249 0.000 0.753 2222 P HA -0.132 nan 4.420 nan 0.000 0.208 2222 P C 0.806 178.130 177.300 0.040 0.000 1.195 2222 P CA 1.257 64.377 63.100 0.034 0.000 0.927 2222 P CB 0.262 31.980 31.700 0.029 0.000 0.778 2223 Q N -3.819 116.017 119.800 0.060 0.000 1.656 2223 Q HA 0.089 4.427 4.340 -0.003 0.000 0.159 2223 Q C 1.633 177.679 176.000 0.077 0.000 0.744 2223 Q CA -0.119 55.721 55.803 0.063 0.000 0.767 2223 Q CB 0.085 28.841 28.738 0.031 0.000 1.205 2223 Q HN -0.148 nan 8.270 nan 0.000 0.368 2224 R N 0.277 120.822 120.500 0.077 0.000 2.066 2224 R HA 0.172 4.510 4.340 -0.003 0.000 0.224 2224 R C 1.958 178.304 176.300 0.077 0.000 1.122 2224 R CA 0.913 57.052 56.100 0.065 0.000 0.974 2224 R CB -0.003 30.330 30.300 0.056 0.000 0.871 2224 R HN 0.257 nan 8.270 nan 0.000 0.435 2225 L N -0.371 120.917 121.223 0.109 0.000 2.012 2225 L HA -0.237 4.102 4.340 -0.003 0.000 0.210 2225 L C 1.903 178.789 176.870 0.028 0.000 1.073 2225 L CA 1.662 56.553 54.840 0.085 0.000 0.748 2225 L CB -0.361 41.782 42.059 0.140 0.000 0.891 2225 L HN 0.325 nan 8.230 nan 0.000 0.431 2226 Y N -0.570 119.740 120.300 0.018 0.000 2.436 2226 Y HA -0.035 4.513 4.550 -0.003 0.000 0.288 2226 Y C 2.535 178.434 175.900 -0.002 0.000 1.112 2226 Y CA 0.705 58.809 58.100 0.008 0.000 1.220 2226 Y CB 0.165 38.629 38.460 0.006 0.000 1.073 2226 Y HN 0.018 nan 8.280 nan 0.000 0.552 2227 K N -0.783 119.708 120.400 0.152 0.000 2.128 2227 K HA 0.160 4.479 4.320 -0.003 0.000 0.202 2227 K C 2.064 178.685 176.600 0.034 0.000 1.050 2227 K CA 1.020 57.353 56.287 0.077 0.000 0.966 2227 K CB -0.129 32.407 32.500 0.059 0.000 0.759 2227 K HN 0.189 nan 8.250 nan 0.000 0.454 2228 A N 1.761 124.600 122.820 0.032 0.000 1.859 2228 A HA 0.090 4.408 4.320 -0.003 0.000 0.212 2228 A C 1.824 179.407 177.584 -0.002 0.000 1.238 2228 A CA 0.421 52.465 52.037 0.012 0.000 0.613 2228 A CB -0.492 18.520 19.000 0.019 0.000 0.904 2228 A HN 0.118 nan 8.150 nan 0.000 0.457 2229 L N 0.051 121.273 121.223 -0.002 0.000 2.682 2229 L HA 0.140 4.479 4.340 -0.003 0.000 0.240 2229 L C 0.753 177.589 176.870 -0.056 0.000 1.178 2229 L CA -0.288 54.539 54.840 -0.021 0.000 0.970 2229 L CB -0.634 41.416 42.059 -0.015 0.000 1.179 2229 L HN 0.417 nan 8.230 nan 0.000 0.435 2230 R N 2.701 123.168 120.500 -0.055 0.000 2.503 2230 R HA -0.231 4.108 4.340 -0.003 0.000 0.252 2230 R C 0.466 176.672 176.300 -0.157 0.000 0.890 2230 R CA 0.808 56.858 56.100 -0.082 0.000 0.732 2230 R CB -0.857 29.410 30.300 -0.056 0.000 1.838 2230 R HN 0.641 nan 8.270 nan 0.000 0.533 2231 M N 1.474 120.890 119.600 -0.308 0.000 2.673 2231 M HA 0.416 4.894 4.480 -0.003 0.000 0.334 2231 M C 1.275 177.257 176.300 -0.529 0.000 1.211 2231 M CA 0.568 55.633 55.300 -0.391 0.000 0.962 2231 M CB 0.902 33.264 32.600 -0.395 0.000 1.343 2231 M HN 0.248 nan 8.290 nan 0.000 0.511 2232 G N 1.969 110.537 108.800 -0.386 0.000 2.421 2232 G HA2 -0.107 3.852 3.960 -0.003 0.000 0.217 2232 G HA3 -0.107 3.852 3.960 -0.003 0.000 0.217 2232 G C 0.560 175.393 174.900 -0.110 0.000 1.143 2232 G CA 0.372 45.351 45.100 -0.202 0.000 0.784 2232 G HN 0.640 nan 8.290 nan 0.000 0.541 2233 N N -0.422 118.209 118.700 -0.114 0.000 2.471 2233 N HA 0.244 4.982 4.740 -0.003 0.000 0.288 2233 N C 1.033 176.490 175.510 -0.088 0.000 1.220 2233 N CA -0.933 52.068 53.050 -0.082 0.000 0.893 2233 N CB 1.134 39.576 38.487 -0.075 0.000 1.256 2233 N HN -0.179 nan 8.380 nan 0.000 0.534 2234 I N 0.598 121.125 120.570 -0.072 0.000 2.076 2234 I HA -0.221 3.947 4.170 -0.003 0.000 0.237 2234 I C 1.971 178.039 176.117 -0.082 0.000 1.059 2234 I CA 1.352 62.610 61.300 -0.069 0.000 1.317 2234 I CB -1.293 36.668 38.000 -0.064 0.000 1.037 2234 I HN 0.600 nan 8.210 nan 0.000 0.398 2235 E N 0.303 120.446 120.200 -0.094 0.000 2.639 2235 E HA -0.348 4.001 4.350 -0.003 0.000 0.252 2235 E C 2.008 178.555 176.600 -0.088 0.000 1.088 2235 E CA 2.881 59.219 56.400 -0.104 0.000 1.348 2235 E CB -0.930 28.712 29.700 -0.096 0.000 1.203 2235 E HN 0.481 nan 8.360 nan 0.000 0.460 2236 T N 0.667 115.173 114.554 -0.080 0.000 2.821 2236 T HA -0.057 4.291 4.350 -0.003 0.000 0.267 2236 T C 2.061 176.722 174.700 -0.064 0.000 1.046 2236 T CA 1.180 63.240 62.100 -0.067 0.000 1.139 2236 T CB -0.085 68.737 68.868 -0.076 0.000 0.871 2236 T HN 0.019 nan 8.240 nan 0.000 0.454 2237 V N 1.545 121.414 119.914 -0.075 0.000 2.594 2237 V HA -0.091 4.027 4.120 -0.003 0.000 0.253 2237 V C 2.279 178.330 176.094 -0.071 0.000 1.069 2237 V CA 1.042 63.292 62.300 -0.084 0.000 1.082 2237 V CB -0.627 31.152 31.823 -0.072 0.000 0.680 2237 V HN 0.326 nan 8.190 nan 0.000 0.469 2238 L N 0.255 121.439 121.223 -0.064 0.000 2.007 2238 L HA -0.075 4.263 4.340 -0.003 0.000 0.205 2238 L C 2.553 179.421 176.870 -0.003 0.000 1.073 2238 L CA 2.229 57.034 54.840 -0.059 0.000 0.744 2238 L CB -0.840 41.141 42.059 -0.130 0.000 0.898 2238 L HN 0.254 nan 8.230 nan 0.000 0.435 2239 S N -0.436 115.274 115.700 0.017 0.000 2.368 2239 S HA -0.211 4.257 4.470 -0.003 0.000 0.225 2239 S C 2.106 176.769 174.600 0.105 0.000 1.030 2239 S CA 1.413 59.676 58.200 0.106 0.000 0.999 2239 S CB -0.700 62.535 63.200 0.058 0.000 0.844 2239 S HN 0.775 nan 8.310 nan 0.000 0.459 2240 S N 2.288 117.996 115.700 0.013 0.000 2.365 2240 S HA -0.163 4.305 4.470 -0.003 0.000 0.221 2240 S C 1.985 176.544 174.600 -0.067 0.000 1.037 2240 S CA 1.869 60.044 58.200 -0.042 0.000 1.060 2240 S CB -0.874 62.279 63.200 -0.079 0.000 0.974 2240 S HN 0.423 nan 8.310 nan 0.000 0.427 2241 S N 1.964 117.629 115.700 -0.060 0.000 2.383 2241 S HA 0.102 4.570 4.470 -0.003 0.000 0.227 2241 S C 1.862 176.477 174.600 0.025 0.000 1.026 2241 S CA 1.305 59.478 58.200 -0.046 0.000 0.981 2241 S CB -0.641 62.520 63.200 -0.065 0.000 0.818 2241 S HN 0.534 nan 8.310 nan 0.000 0.472 2242 I N 1.855 122.472 120.570 0.078 0.000 2.194 2242 I HA -0.276 3.893 4.170 -0.003 0.000 0.246 2242 I C 2.669 178.894 176.117 0.181 0.000 1.093 2242 I CA 1.360 62.782 61.300 0.204 0.000 1.355 2242 I CB -0.525 37.624 38.000 0.248 0.000 1.046 2242 I HN 0.304 nan 8.210 nan 0.000 0.413 2243 A N 0.362 123.141 122.820 -0.068 0.000 2.066 2243 A HA 0.012 4.331 4.320 -0.003 0.000 0.218 2243 A C 2.462 180.074 177.584 0.047 0.000 1.157 2243 A CA 1.435 53.303 52.037 -0.282 0.000 0.670 2243 A CB -0.468 18.015 19.000 -0.862 0.000 0.804 2243 A HN 0.449 nan 8.150 nan 0.000 0.453 2244 A N -0.393 122.460 122.820 0.056 0.000 1.854 2244 A HA 0.060 4.378 4.320 -0.003 0.000 0.214 2244 A C 2.154 179.889 177.584 0.252 0.000 1.192 2244 A CA 1.599 53.705 52.037 0.116 0.000 0.611 2244 A CB -0.912 18.106 19.000 0.030 0.000 0.832 2244 A HN 0.369 nan 8.150 nan 0.000 0.442 2245 V N -0.520 119.500 119.914 0.176 0.000 2.343 2245 V HA -0.260 3.858 4.120 -0.003 0.000 0.247 2245 V C 2.362 178.566 176.094 0.183 0.000 1.051 2245 V CA 2.036 64.401 62.300 0.109 0.000 1.036 2245 V CB -1.216 30.606 31.823 -0.003 0.000 0.654 2245 V HN 0.666 nan 8.190 nan 0.000 0.451 2246 F N 0.699 120.732 119.950 0.137 0.000 2.154 2246 F HA -0.291 4.234 4.527 -0.003 0.000 0.301 2246 F C 2.098 178.115 175.800 0.362 0.000 1.087 2246 F CA 2.159 60.319 58.000 0.266 0.000 1.274 2246 F CB -0.380 38.827 39.000 0.345 0.000 1.009 2246 F HN 0.194 nan 8.300 nan 0.000 0.485 2247 F N 1.184 121.408 119.950 0.457 0.000 2.163 2247 F HA 0.024 4.549 4.527 -0.003 0.000 0.297 2247 F C 2.259 178.119 175.800 0.099 0.000 1.094 2247 F CA 1.337 59.485 58.000 0.246 0.000 1.290 2247 F CB -0.924 38.212 39.000 0.227 0.000 1.017 2247 F HN 0.013 nan 8.300 nan 0.000 0.483 2248 A N 0.416 123.315 122.820 0.133 0.000 1.929 2248 A HA 0.044 4.362 4.320 -0.003 0.000 0.216 2248 A C 2.365 179.869 177.584 -0.133 0.000 1.176 2248 A CA 1.362 53.364 52.037 -0.058 0.000 0.628 2248 A CB -1.479 17.539 19.000 0.030 0.000 0.816 2248 A HN 0.473 nan 8.150 nan 0.000 0.444 2249 A N -1.417 121.330 122.820 -0.121 0.000 1.972 2249 A HA 0.013 4.332 4.320 -0.003 0.000 0.219 2249 A C 1.791 179.231 177.584 -0.240 0.000 1.169 2249 A CA 1.307 53.204 52.037 -0.233 0.000 0.635 2249 A CB -0.651 18.186 19.000 -0.272 0.000 0.810 2249 A HN 0.475 nan 8.150 nan 0.000 0.446 2250 F N -1.186 118.576 119.950 -0.313 0.000 2.743 2250 F HA 0.035 4.560 4.527 -0.003 0.000 0.297 2250 F C 2.067 177.688 175.800 -0.298 0.000 1.131 2250 F CA 0.585 58.404 58.000 -0.303 0.000 1.426 2250 F CB 0.229 39.005 39.000 -0.373 0.000 1.116 2250 F HN 0.023 nan 8.300 nan 0.000 0.583 2251 V N -1.091 118.712 119.914 -0.184 0.000 2.300 2251 V HA -0.176 3.943 4.120 -0.003 0.000 0.241 2251 V C 2.233 178.236 176.094 -0.151 0.000 1.034 2251 V CA 1.310 63.459 62.300 -0.251 0.000 1.021 2251 V CB -0.607 30.999 31.823 -0.362 0.000 0.662 2251 V HN 0.065 nan 8.190 nan 0.000 0.458 2252 V N 1.033 120.883 119.914 -0.107 0.000 2.282 2252 V HA -0.325 3.794 4.120 -0.003 0.000 0.249 2252 V C 2.801 178.946 176.094 0.085 0.000 1.057 2252 V CA 2.220 64.515 62.300 -0.008 0.000 1.032 2252 V CB -1.584 30.273 31.823 0.057 0.000 0.645 2252 V HN 0.539 nan 8.190 nan 0.000 0.447 2253 A N 0.770 123.642 122.820 0.087 0.000 1.927 2253 A HA -0.204 4.115 4.320 -0.003 0.000 0.220 2253 A C 2.407 180.075 177.584 0.140 0.000 1.185 2253 A CA 2.462 54.584 52.037 0.141 0.000 0.639 2253 A CB -1.322 17.652 19.000 -0.044 0.000 0.820 2253 A HN 0.588 nan 8.150 nan 0.000 0.451 2254 G N -2.191 106.626 108.800 0.028 0.000 2.408 2254 G HA2 -0.038 3.920 3.960 -0.003 0.000 0.215 2254 G HA3 -0.038 3.920 3.960 -0.003 0.000 0.215 2254 G C 1.554 176.475 174.900 0.035 0.000 1.156 2254 G CA 1.449 46.549 45.100 -0.000 0.000 0.793 2254 G HN 0.414 nan 8.290 nan 0.000 0.535 2255 T N 0.998 115.516 114.554 -0.061 0.000 2.635 2255 T HA -0.214 4.135 4.350 -0.003 0.000 0.267 2255 T C 2.303 176.975 174.700 -0.047 0.000 1.040 2255 T CA 1.790 63.836 62.100 -0.090 0.000 1.156 2255 T CB -0.228 68.561 68.868 -0.131 0.000 0.863 2255 T HN 0.186 nan 8.240 nan 0.000 0.430 2256 M N 0.418 119.987 119.600 -0.052 0.000 2.126 2256 M HA -0.052 4.426 4.480 -0.003 0.000 0.259 2256 M C 1.996 178.340 176.300 0.072 0.000 1.073 2256 M CA 1.636 56.843 55.300 -0.154 0.000 1.103 2256 M CB -1.304 31.201 32.600 -0.160 0.000 1.284 2256 M HN 0.508 nan 8.290 nan 0.000 0.420 2257 W N -0.216 121.123 121.300 0.066 0.000 2.305 2257 W HA -0.324 4.334 4.660 -0.002 0.000 0.308 2257 W C 1.917 178.569 176.519 0.221 0.000 1.226 2257 W CA 2.033 59.464 57.345 0.145 0.000 1.253 2257 W CB -0.644 28.957 29.460 0.234 0.000 1.146 2257 W HN 0.381 nan 8.180 nan 0.000 0.507 2258 Y N -0.231 120.165 120.300 0.161 0.000 2.231 2258 Y HA 0.194 4.742 4.550 -0.003 0.000 0.294 2258 Y C 1.491 177.373 175.900 -0.030 0.000 1.120 2258 Y CA 0.874 58.987 58.100 0.023 0.000 1.141 2258 Y CB -0.503 37.926 38.460 -0.051 0.000 1.022 2258 Y HN -0.055 nan 8.280 nan 0.000 0.523 2259 G N 0.412 109.296 108.800 0.141 0.000 3.055 2259 G HA2 0.181 4.140 3.960 -0.003 0.000 0.685 2259 G HA3 0.181 4.140 3.960 -0.003 0.000 0.685 2259 G C -0.810 174.156 174.900 0.109 0.000 1.212 2259 G CA -0.430 44.710 45.100 0.067 0.000 0.822 2259 G HN 0.492 nan 8.290 nan 0.000 0.610 2260 S N 0.527 116.236 115.700 0.014 0.000 2.720 2260 S HA 0.915 5.383 4.470 -0.003 0.000 0.287 2260 S C 1.576 176.184 174.600 0.014 0.000 1.168 2260 S CA 0.315 58.421 58.200 -0.157 0.000 0.832 2260 S CB 1.451 64.507 63.200 -0.240 0.000 1.166 2260 S HN 2.372 nan 8.310 nan 0.000 0.493 2261 A N 0.791 123.593 122.820 -0.029 0.000 2.024 2261 A HA 0.006 4.324 4.320 -0.003 0.000 0.220 2261 A C 2.154 179.802 177.584 0.107 0.000 1.164 2261 A CA 2.372 54.466 52.037 0.094 0.000 0.643 2261 A CB -1.669 17.360 19.000 0.048 0.000 0.806 2261 A HN 1.433 nan 8.150 nan 0.000 0.451 2262 T N -4.628 109.948 114.554 0.037 0.000 3.081 2262 T HA 0.080 4.429 4.350 -0.003 0.000 0.255 2262 T C 0.617 175.326 174.700 0.015 0.000 1.113 2262 T CA 1.220 63.351 62.100 0.052 0.000 1.082 2262 T CB -0.231 68.647 68.868 0.016 0.000 0.939 2262 T HN 0.132 nan 8.240 nan 0.000 0.506 2263 T N 4.944 119.484 114.554 -0.024 0.000 3.390 2263 T HA 0.361 4.710 4.350 -0.003 0.000 0.315 2263 T C -2.408 172.355 174.700 0.106 0.000 1.799 2263 T CA -1.237 60.791 62.100 -0.121 0.000 1.553 2263 T CB 1.082 69.771 68.868 -0.298 0.000 1.002 2263 T HN 0.408 nan 8.240 nan 0.000 0.715 2264 P HA 0.237 nan 4.420 nan 0.000 0.300 2264 P C 0.742 178.166 177.300 0.206 0.000 1.294 2264 P CA -0.376 62.899 63.100 0.292 0.000 0.757 2264 P CB 1.025 33.046 31.700 0.534 0.000 1.377 2265 I N -0.745 119.947 120.570 0.203 0.000 2.834 2265 I HA -0.001 4.167 4.170 -0.003 0.000 0.239 2265 I C 2.357 178.453 176.117 -0.034 0.000 1.073 2265 I CA 1.026 62.317 61.300 -0.015 0.000 1.459 2265 I CB -1.628 36.354 38.000 -0.030 0.000 1.288 2265 I HN 0.434 nan 8.210 nan 0.000 0.455 2266 E N 1.049 121.462 120.200 0.356 0.000 2.501 2266 E HA -0.162 4.186 4.350 -0.003 0.000 0.203 2266 E C 1.959 178.784 176.600 0.375 0.000 1.072 2266 E CA 0.491 57.300 56.400 0.682 0.000 0.885 2266 E CB 0.098 30.251 29.700 0.755 0.000 0.813 2266 E HN 0.448 nan 8.360 nan 0.000 0.556 2267 L N -1.267 119.924 121.223 -0.053 0.000 2.316 2267 L HA 0.078 4.417 4.340 -0.003 0.000 0.207 2267 L C 1.015 177.472 176.870 -0.687 0.000 1.070 2267 L CA 0.335 54.853 54.840 -0.536 0.000 0.820 2267 L CB 0.183 41.655 42.059 -0.979 0.000 0.992 2267 L HN 0.136 nan 8.230 nan 0.000 0.466 2268 F N -0.572 119.329 119.950 -0.081 0.000 2.746 2268 F HA 0.501 5.027 4.527 -0.003 0.000 0.320 2268 F C 1.155 176.747 175.800 -0.346 0.000 1.097 2268 F CA 0.082 58.024 58.000 -0.096 0.000 1.195 2268 F CB 0.428 39.336 39.000 -0.154 0.000 1.056 2268 F HN 0.049 nan 8.300 nan 0.000 0.562 2269 G N 0.769 109.137 108.800 -0.719 0.000 2.660 2269 G HA2 -0.129 3.829 3.960 -0.003 0.000 0.247 2269 G HA3 -0.129 3.829 3.960 -0.003 0.000 0.247 2269 G C -3.047 171.280 174.900 -0.954 0.000 1.328 2269 G CA -1.297 42.812 45.100 -1.651 0.000 0.884 2269 G HN -0.028 nan 8.290 nan 0.000 0.531 2270 P HA 0.520 nan 4.420 nan 0.000 0.293 2270 P C 0.151 177.179 177.300 -0.454 0.000 1.304 2270 P CA 0.480 63.262 63.100 -0.530 0.000 0.767 2270 P CB 0.796 32.281 31.700 -0.358 0.000 1.247 2271 T N -4.028 110.275 114.554 -0.419 0.000 2.908 2271 T HA 0.397 4.745 4.350 -0.003 0.000 0.290 2271 T C 0.834 175.192 174.700 -0.570 0.000 1.034 2271 T CA -0.823 60.961 62.100 -0.527 0.000 1.010 2271 T CB 1.500 70.118 68.868 -0.417 0.000 1.068 2271 T HN 0.307 nan 8.240 nan 0.000 0.481 2272 R N 0.098 120.067 120.500 -0.886 0.000 2.189 2272 R HA -0.055 4.283 4.340 -0.003 0.000 0.223 2272 R C 0.890 176.766 176.300 -0.707 0.000 1.092 2272 R CA 1.198 56.831 56.100 -0.778 0.000 0.989 2272 R CB -0.440 29.290 30.300 -0.951 0.000 0.876 2272 R HN 0.835 nan 8.270 nan 0.000 0.457 2273 Y N 0.178 120.257 120.300 -0.368 0.000 2.509 2273 Y HA -0.049 4.500 4.550 -0.003 0.000 0.293 2273 Y C 2.040 177.791 175.900 -0.249 0.000 1.133 2273 Y CA 0.825 58.753 58.100 -0.287 0.000 1.283 2273 Y CB 0.186 38.438 38.460 -0.346 0.000 1.001 2273 Y HN 0.176 nan 8.280 nan 0.000 0.555 2274 Q N -1.303 118.364 119.800 -0.222 0.000 2.398 2274 Q HA -0.133 4.206 4.340 -0.003 0.000 0.204 2274 Q C 1.882 177.841 176.000 -0.068 0.000 0.932 2274 Q CA 0.492 56.141 55.803 -0.256 0.000 0.916 2274 Q CB -0.170 28.266 28.738 -0.503 0.000 1.024 2274 Q HN 0.669 nan 8.270 nan 0.000 0.504 2275 W N 1.687 122.867 121.300 -0.199 0.000 2.481 2275 W HA -0.082 4.577 4.660 -0.003 0.000 0.293 2275 W C 0.567 177.042 176.519 -0.073 0.000 1.201 2275 W CA 0.846 58.127 57.345 -0.107 0.000 1.328 2275 W CB 0.289 29.649 29.460 -0.167 0.000 1.112 2275 W HN 0.100 nan 8.180 nan 0.000 0.546 2276 D N -0.074 120.270 120.400 -0.093 0.000 2.269 2276 D HA -0.133 4.505 4.640 -0.003 0.000 0.208 2276 D C 1.966 178.185 176.300 -0.136 0.000 0.963 2276 D CA 1.140 55.058 54.000 -0.136 0.000 0.864 2276 D CB -0.099 40.687 40.800 -0.024 0.000 0.936 2276 D HN 0.043 nan 8.370 nan 0.000 0.505 2277 S N -0.298 115.342 115.700 -0.099 0.000 2.575 2277 S HA -0.014 4.455 4.470 -0.003 0.000 0.215 2277 S C 0.633 175.205 174.600 -0.046 0.000 0.966 2277 S CA 0.050 58.222 58.200 -0.046 0.000 0.911 2277 S CB -0.065 63.134 63.200 -0.001 0.000 0.780 2277 S HN 0.017 nan 8.310 nan 0.000 0.514 2278 S N 0.454 116.079 115.700 -0.126 0.000 3.549 2278 S HA -0.232 4.236 4.470 -0.003 0.000 0.366 2278 S C 0.270 174.882 174.600 0.020 0.000 1.012 2278 S CA 0.868 59.011 58.200 -0.095 0.000 1.141 2278 S CB -2.145 60.993 63.200 -0.104 0.000 0.910 2278 S HN 0.822 nan 8.310 nan 0.000 0.471 2279 Y N 0.179 120.409 120.300 -0.116 0.000 2.293 2279 Y HA -0.016 4.532 4.550 -0.003 0.000 0.291 2279 Y C 1.492 177.425 175.900 0.055 0.000 1.137 2279 Y CA 1.692 59.730 58.100 -0.104 0.000 1.202 2279 Y CB -0.200 38.078 38.460 -0.304 0.000 0.990 2279 Y HN 0.530 nan 8.280 nan 0.000 0.537 2280 F N -0.238 119.842 119.950 0.216 0.000 2.123 2280 F HA -0.151 4.375 4.527 -0.003 0.000 0.289 2280 F C 2.709 178.524 175.800 0.025 0.000 1.099 2280 F CA 0.976 59.069 58.000 0.155 0.000 1.234 2280 F CB -0.635 38.547 39.000 0.303 0.000 1.034 2280 F HN -0.074 nan 8.300 nan 0.000 0.479 2281 Q N 0.692 120.651 119.800 0.265 0.000 2.182 2281 Q HA -0.357 3.982 4.340 -0.003 0.000 0.213 2281 Q C 2.159 178.185 176.000 0.042 0.000 1.000 2281 Q CA 2.150 58.039 55.803 0.145 0.000 0.889 2281 Q CB -0.237 28.561 28.738 0.101 0.000 0.932 2281 Q HN 0.497 nan 8.270 nan 0.000 0.415 2282 Q N -0.171 119.629 119.800 -0.000 0.000 1.975 2282 Q HA -0.269 4.069 4.340 -0.003 0.000 0.205 2282 Q C 1.994 177.913 176.000 -0.136 0.000 0.990 2282 Q CA 1.903 57.670 55.803 -0.060 0.000 0.845 2282 Q CB -0.143 28.555 28.738 -0.067 0.000 0.913 2282 Q HN 0.327 nan 8.270 nan 0.000 0.420 2283 E N 0.635 120.684 120.200 -0.250 0.000 2.070 2283 E HA -0.212 4.137 4.350 -0.003 0.000 0.197 2283 E C 1.759 178.156 176.600 -0.338 0.000 1.004 2283 E CA 1.757 57.859 56.400 -0.498 0.000 0.805 2283 E CB -0.517 28.400 29.700 -1.305 0.000 0.744 2283 E HN 0.505 nan 8.360 nan 0.000 0.451 2284 I N 0.759 121.197 120.570 -0.221 0.000 2.118 2284 I HA -0.347 3.822 4.170 -0.003 0.000 0.241 2284 I C 2.666 178.638 176.117 -0.243 0.000 1.070 2284 I CA 1.738 62.926 61.300 -0.187 0.000 1.327 2284 I CB -0.570 37.399 38.000 -0.051 0.000 1.034 2284 I HN 0.342 nan 8.210 nan 0.000 0.405 2285 N N 1.197 119.793 118.700 -0.172 0.000 2.018 2285 N HA -0.291 4.447 4.740 -0.003 0.000 0.196 2285 N C 2.144 177.535 175.510 -0.197 0.000 1.043 2285 N CA 1.689 54.633 53.050 -0.177 0.000 0.856 2285 N CB -0.123 38.316 38.487 -0.079 0.000 1.042 2285 N HN 0.267 nan 8.380 nan 0.000 0.423 2286 R N 0.992 121.394 120.500 -0.162 0.000 2.261 2286 R HA -0.097 4.241 4.340 -0.003 0.000 0.236 2286 R C 1.530 177.729 176.300 -0.169 0.000 1.141 2286 R CA 1.170 57.184 56.100 -0.142 0.000 1.001 2286 R CB -0.179 30.049 30.300 -0.120 0.000 0.866 2286 R HN 0.306 nan 8.270 nan 0.000 0.468 2287 R N 0.098 120.464 120.500 -0.223 0.000 2.275 2287 R HA 0.054 4.392 4.340 -0.003 0.000 0.199 2287 R C 1.714 177.854 176.300 -0.266 0.000 0.989 2287 R CA 0.628 56.593 56.100 -0.225 0.000 1.016 2287 R CB 0.385 30.539 30.300 -0.244 0.000 0.918 2287 R HN 0.155 nan 8.270 nan 0.000 0.473 2288 V N 0.238 119.956 119.914 -0.326 0.000 2.788 2288 V HA -0.073 4.046 4.120 -0.003 0.000 0.241 2288 V C 2.087 178.051 176.094 -0.217 0.000 1.083 2288 V CA 0.934 63.008 62.300 -0.377 0.000 1.103 2288 V CB 0.028 31.476 31.823 -0.625 0.000 0.800 2288 V HN 0.122 nan 8.190 nan 0.000 0.476 2289 Q N 0.243 119.946 119.800 -0.161 0.000 2.224 2289 Q HA -0.013 4.325 4.340 -0.003 0.000 0.203 2289 Q C 2.281 178.234 176.000 -0.078 0.000 0.970 2289 Q CA 1.558 57.307 55.803 -0.091 0.000 0.865 2289 Q CB -0.375 28.323 28.738 -0.066 0.000 0.922 2289 Q HN 0.630 nan 8.270 nan 0.000 0.445 2290 A N 0.261 123.024 122.820 -0.095 0.000 1.854 2290 A HA -0.112 4.207 4.320 -0.003 0.000 0.214 2290 A C 2.333 179.876 177.584 -0.069 0.000 1.192 2290 A CA 1.761 53.753 52.037 -0.075 0.000 0.611 2290 A CB -0.668 18.284 19.000 -0.080 0.000 0.832 2290 A HN 0.333 nan 8.150 nan 0.000 0.442 2291 S N -0.930 114.715 115.700 -0.092 0.000 2.387 2291 S HA -0.089 4.379 4.470 -0.003 0.000 0.226 2291 S C 1.940 176.505 174.600 -0.059 0.000 1.026 2291 S CA 1.263 59.417 58.200 -0.076 0.000 0.972 2291 S CB -0.467 62.675 63.200 -0.098 0.000 0.814 2291 S HN 0.417 nan 8.310 nan 0.000 0.477 2292 L N 2.239 123.420 121.223 -0.070 0.000 2.012 2292 L HA 0.099 4.437 4.340 -0.003 0.000 0.210 2292 L C 2.443 179.302 176.870 -0.018 0.000 1.073 2292 L CA 2.233 57.051 54.840 -0.036 0.000 0.748 2292 L CB -1.163 40.874 42.059 -0.036 0.000 0.891 2292 L HN 0.324 nan 8.230 nan 0.000 0.431 2293 A N -2.000 120.806 122.820 -0.024 0.000 2.178 2293 A HA -0.083 4.236 4.320 -0.003 0.000 0.218 2293 A C 2.114 179.691 177.584 -0.013 0.000 1.157 2293 A CA 1.460 53.489 52.037 -0.014 0.000 0.689 2293 A CB -0.613 18.376 19.000 -0.018 0.000 0.787 2293 A HN 0.492 nan 8.150 nan 0.000 0.465 2294 S N -1.122 114.567 115.700 -0.018 0.000 2.660 2294 S HA 0.398 4.866 4.470 -0.003 0.000 0.227 2294 S C 1.080 175.675 174.600 -0.009 0.000 0.948 2294 S CA 0.582 58.774 58.200 -0.014 0.000 0.948 2294 S CB -0.028 63.160 63.200 -0.020 0.000 0.779 2294 S HN 1.538 nan 8.310 nan 0.000 0.487 2295 G N 1.073 109.871 108.800 -0.004 0.000 2.164 2295 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.212 2295 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.212 2295 G C -0.078 174.825 174.900 0.005 0.000 1.031 2295 G CA -0.144 44.957 45.100 0.002 0.000 0.730 2295 G HN 0.776 nan 8.290 nan 0.000 0.501 2296 A N -0.374 122.450 122.820 0.007 0.000 2.350 2296 A HA 0.998 5.316 4.320 -0.003 0.000 0.318 2296 A C 0.490 178.095 177.584 0.035 0.000 1.132 2296 A CA 0.382 52.428 52.037 0.015 0.000 0.811 2296 A CB 1.129 20.131 19.000 0.005 0.000 1.313 2296 A HN 1.650 nan 8.150 nan 0.000 0.454 2297 T N -0.027 114.557 114.554 0.050 0.000 2.909 2297 T HA 0.462 4.810 4.350 -0.003 0.000 0.286 2297 T C 1.326 176.115 174.700 0.149 0.000 1.002 2297 T CA -0.638 61.511 62.100 0.082 0.000 1.074 2297 T CB 0.487 69.388 68.868 0.056 0.000 0.984 2297 T HN 0.445 nan 8.240 nan 0.000 0.495 2298 L N 0.806 122.171 121.223 0.235 0.000 2.010 2298 L HA -0.263 4.076 4.340 -0.003 0.000 0.219 2298 L C 2.816 180.009 176.870 0.537 0.000 1.077 2298 L CA 1.938 57.033 54.840 0.426 0.000 0.773 2298 L CB -0.900 41.527 42.059 0.613 0.000 0.892 2298 L HN 0.723 nan 8.230 nan 0.000 0.436 2299 E N 0.173 120.595 120.200 0.370 0.000 2.086 2299 E HA -0.257 4.092 4.350 -0.003 0.000 0.200 2299 E C 2.074 178.818 176.600 0.240 0.000 1.012 2299 E CA 1.653 58.193 56.400 0.232 0.000 0.812 2299 E CB -0.229 29.447 29.700 -0.040 0.000 0.743 2299 E HN 0.496 nan 8.360 nan 0.000 0.453 2300 E N 0.082 120.372 120.200 0.151 0.000 2.051 2300 E HA -0.208 4.141 4.350 -0.003 0.000 0.192 2300 E C 2.120 178.777 176.600 0.094 0.000 0.991 2300 E CA 0.934 57.395 56.400 0.101 0.000 0.799 2300 E CB -0.206 29.526 29.700 0.055 0.000 0.748 2300 E HN 0.305 nan 8.360 nan 0.000 0.449 2301 A N 0.936 123.798 122.820 0.071 0.000 1.865 2301 A HA -0.203 4.116 4.320 -0.003 0.000 0.217 2301 A C 1.823 179.338 177.584 -0.115 0.000 1.191 2301 A CA 1.545 53.537 52.037 -0.075 0.000 0.623 2301 A CB -1.201 17.682 19.000 -0.195 0.000 0.826 2301 A HN 0.347 nan 8.150 nan 0.000 0.444 2302 W N 0.422 121.756 121.300 0.057 0.000 2.333 2302 W HA -0.132 4.526 4.660 -0.003 0.000 0.316 2302 W C 2.663 179.209 176.519 0.045 0.000 1.215 2302 W CA 1.616 58.990 57.345 0.048 0.000 1.278 2302 W CB -0.787 28.739 29.460 0.111 0.000 1.154 2302 W HN 0.233 nan 8.180 nan 0.000 0.486 2303 S N -0.019 115.860 115.700 0.297 0.000 2.520 2303 S HA -0.120 4.348 4.470 -0.003 0.000 0.249 2303 S C 1.705 176.364 174.600 0.099 0.000 0.983 2303 S CA 1.047 59.357 58.200 0.182 0.000 0.958 2303 S CB -0.549 62.739 63.200 0.147 0.000 0.750 2303 S HN 0.325 nan 8.310 nan 0.000 0.527 2304 A N 1.793 124.649 122.820 0.060 0.000 1.887 2304 A HA 0.309 4.628 4.320 -0.003 0.000 0.210 2304 A C 1.008 178.584 177.584 -0.014 0.000 1.221 2304 A CA -0.136 51.905 52.037 0.006 0.000 0.635 2304 A CB -0.607 18.376 19.000 -0.029 0.000 0.881 2304 A HN 0.580 nan 8.150 nan 0.000 0.456 2305 I N 0.195 120.736 120.570 -0.049 0.000 2.978 2305 I HA 0.145 4.313 4.170 -0.003 0.000 0.293 2305 I C -2.619 173.485 176.117 -0.020 0.000 1.218 2305 I CA -1.378 59.883 61.300 -0.066 0.000 1.393 2305 I CB -0.490 37.443 38.000 -0.111 0.000 1.394 2305 I HN -0.016 nan 8.210 nan 0.000 0.541 2306 P HA -0.118 nan 4.420 nan 0.000 0.264 2306 P C 0.561 177.860 177.300 -0.001 0.000 1.173 2306 P CA 0.339 63.434 63.100 -0.008 0.000 0.761 2306 P CB 0.548 32.237 31.700 -0.019 0.000 0.794 2307 E N 3.809 124.025 120.200 0.025 0.000 2.107 2307 E HA -0.217 4.131 4.350 -0.003 0.000 0.191 2307 E C 1.623 178.271 176.600 0.082 0.000 0.982 2307 E CA 0.727 57.158 56.400 0.051 0.000 0.809 2307 E CB -0.435 29.303 29.700 0.064 0.000 0.756 2307 E HN 0.328 nan 8.360 nan 0.000 0.459 2308 K N 0.724 121.151 120.400 0.045 0.000 2.127 2308 K HA -0.210 4.108 4.320 -0.003 0.000 0.208 2308 K C 2.200 178.683 176.600 -0.195 0.000 1.047 2308 K CA 1.313 57.602 56.287 0.004 0.000 0.927 2308 K CB -0.188 32.268 32.500 -0.074 0.000 0.716 2308 K HN 0.202 nan 8.250 nan 0.000 0.450 2309 L N 0.676 121.784 121.223 -0.192 0.000 2.042 2309 L HA -0.135 4.204 4.340 -0.003 0.000 0.210 2309 L C 2.191 178.988 176.870 -0.123 0.000 1.076 2309 L CA 2.122 56.814 54.840 -0.246 0.000 0.749 2309 L CB -0.594 41.383 42.059 -0.136 0.000 0.893 2309 L HN 0.228 nan 8.230 nan 0.000 0.432 2310 A N -1.287 121.561 122.820 0.046 0.000 1.969 2310 A HA -0.195 4.123 4.320 -0.003 0.000 0.218 2310 A C 2.362 180.218 177.584 0.453 0.000 1.169 2310 A CA 1.492 53.638 52.037 0.182 0.000 0.635 2310 A CB -1.038 18.028 19.000 0.110 0.000 0.810 2310 A HN 0.585 nan 8.150 nan 0.000 0.445 2311 F N -0.786 119.351 119.950 0.311 0.000 2.051 2311 F HA -0.261 4.264 4.527 -0.003 0.000 0.296 2311 F C 2.222 178.211 175.800 0.314 0.000 1.122 2311 F CA 1.396 59.614 58.000 0.362 0.000 1.201 2311 F CB -0.280 38.850 39.000 0.216 0.000 0.978 2311 F HN 0.349 nan 8.300 nan 0.000 0.472 2312 Y N -0.265 120.107 120.300 0.120 0.000 2.332 2312 Y HA -0.362 4.187 4.550 -0.003 0.000 0.283 2312 Y C 2.173 178.041 175.900 -0.053 0.000 1.186 2312 Y CA 0.666 58.629 58.100 -0.229 0.000 1.266 2312 Y CB -0.370 37.522 38.460 -0.947 0.000 0.973 2312 Y HN 0.217 nan 8.280 nan 0.000 0.548 2313 D N -0.369 120.206 120.400 0.292 0.000 2.289 2313 D HA -0.143 4.495 4.640 -0.003 0.000 0.207 2313 D C 0.210 176.925 176.300 0.691 0.000 0.966 2313 D CA 0.134 54.462 54.000 0.547 0.000 0.868 2313 D CB -0.217 40.858 40.800 0.458 0.000 0.943 2313 D HN 0.170 nan 8.370 nan 0.000 0.514 2314 Y N 1.761 122.368 120.300 0.511 0.000 2.620 2314 Y HA 0.020 4.568 4.550 -0.003 0.000 0.330 2314 Y C 1.324 177.291 175.900 0.111 0.000 1.186 2314 Y CA -0.594 57.768 58.100 0.436 0.000 1.467 2314 Y CB 0.238 38.981 38.460 0.471 0.000 1.262 2314 Y HN -0.067 nan 8.280 nan 0.000 0.550 2315 I N 4.545 124.977 120.570 -0.230 0.000 2.454 2315 I HA -0.145 4.023 4.170 -0.003 0.000 0.254 2315 I C 1.966 177.311 176.117 -1.285 0.000 1.156 2315 I CA 1.736 62.359 61.300 -1.128 0.000 1.433 2315 I CB -0.440 36.771 38.000 -1.316 0.000 1.082 2315 I HN 0.952 nan 8.210 nan 0.000 0.432 2316 G N 0.692 108.462 108.800 -1.716 0.000 2.564 2316 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.216 2316 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.216 2316 G C 1.143 175.521 174.900 -0.871 0.000 1.124 2316 G CA 0.431 44.629 45.100 -1.502 0.000 0.764 2316 G HN 0.440 nan 8.290 nan 0.000 0.550 2317 N N -0.034 118.237 118.700 -0.715 0.000 2.235 2317 N HA 0.018 4.756 4.740 -0.003 0.000 0.209 2317 N C -0.128 175.124 175.510 -0.431 0.000 1.122 2317 N CA -0.107 52.700 53.050 -0.404 0.000 0.845 2317 N CB 0.279 38.614 38.487 -0.253 0.000 1.004 2317 N HN 0.517 nan 8.380 nan 0.000 0.499 2318 N N 1.541 119.894 118.700 -0.578 0.000 2.408 2318 N HA 0.221 4.959 4.740 -0.003 0.000 0.280 2318 N C -2.640 172.545 175.510 -0.541 0.000 1.002 2318 N CA -1.668 51.050 53.050 -0.553 0.000 0.907 2318 N CB 1.716 39.800 38.487 -0.672 0.000 1.161 2318 N HN -0.177 nan 8.380 nan 0.000 0.488 2319 P HA -0.054 nan 4.420 nan 0.000 0.243 2319 P C -0.202 176.876 177.300 -0.369 0.000 1.134 2319 P CA 0.260 63.141 63.100 -0.365 0.000 1.109 2319 P CB 0.450 31.988 31.700 -0.270 0.000 1.140 2320 A N 4.709 127.265 122.820 -0.441 0.000 1.878 2320 A HA 0.047 4.366 4.320 -0.003 0.000 0.215 2320 A C 0.979 178.360 177.584 -0.338 0.000 1.310 2320 A CA 1.175 52.943 52.037 -0.448 0.000 0.612 2320 A CB -0.111 18.506 19.000 -0.638 0.000 0.989 2320 A HN 0.460 nan 8.150 nan 0.000 0.472 2321 K N -2.586 117.624 120.400 -0.316 0.000 2.480 2321 K HA 0.511 4.829 4.320 -0.003 0.000 0.258 2321 K C -0.657 175.759 176.600 -0.306 0.000 0.990 2321 K CA -0.168 55.970 56.287 -0.248 0.000 0.857 2321 K CB 1.705 34.119 32.500 -0.143 0.000 1.384 2321 K HN 1.123 nan 8.250 nan 0.000 0.446 2322 G N 0.883 109.622 108.800 -0.101 0.000 2.511 2322 G HA2 0.000 3.959 3.960 -0.003 0.000 0.230 2322 G HA3 0.000 3.959 3.960 -0.003 0.000 0.230 2322 G C 0.371 175.386 174.900 0.192 0.000 1.264 2322 G CA -0.137 45.039 45.100 0.126 0.000 0.866 2322 G HN 0.843 nan 8.290 nan 0.000 0.523 2323 G N -0.080 108.788 108.800 0.113 0.000 2.433 2323 G HA2 0.189 4.148 3.960 -0.003 0.000 0.216 2323 G HA3 0.189 4.148 3.960 -0.003 0.000 0.216 2323 G C 0.772 175.753 174.900 0.135 0.000 1.186 2323 G CA 0.776 45.839 45.100 -0.062 0.000 0.779 2323 G HN 0.712 nan 8.290 nan 0.000 0.543 2324 L N -0.331 120.947 121.223 0.092 0.000 2.372 2324 L HA 0.542 4.881 4.340 -0.003 0.000 0.273 2324 L C -1.487 175.251 176.870 -0.220 0.000 0.989 2324 L CA -0.523 54.333 54.840 0.025 0.000 0.841 2324 L CB 1.848 43.853 42.059 -0.090 0.000 1.225 2324 L HN 0.059 nan 8.230 nan 0.000 0.414 2325 F N 2.736 122.762 119.950 0.126 0.000 2.883 2325 F HA 0.165 4.691 4.527 -0.002 0.000 0.383 2325 F C 0.894 176.735 175.800 0.067 0.000 1.342 2325 F CA -0.983 57.076 58.000 0.099 0.000 1.150 2325 F CB 0.498 39.583 39.000 0.142 0.000 2.189 2325 F HN 0.473 nan 8.300 nan 0.000 0.593 2326 R N -1.106 119.454 120.500 0.100 0.000 2.593 2326 R HA -0.311 4.028 4.340 -0.003 0.000 0.185 2326 R C 1.341 177.643 176.300 0.004 0.000 0.915 2326 R CA 2.640 58.751 56.100 0.018 0.000 0.597 2326 R CB -2.095 28.201 30.300 -0.006 0.000 0.781 2326 R HN 0.281 nan 8.270 nan 0.000 0.352 2327 T N 0.032 114.605 114.554 0.031 0.000 2.946 2327 T HA 0.011 4.360 4.350 -0.003 0.000 0.271 2327 T C 1.343 176.071 174.700 0.047 0.000 1.104 2327 T CA 1.493 63.607 62.100 0.023 0.000 1.114 2327 T CB -1.109 67.788 68.868 0.048 0.000 0.867 2327 T HN 0.803 nan 8.240 nan 0.000 0.513 2328 G N 3.333 112.212 108.800 0.133 0.000 2.485 2328 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.315 2328 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.315 2328 G C -1.889 173.123 174.900 0.186 0.000 0.914 2328 G CA 0.032 45.263 45.100 0.217 0.000 0.889 2328 G HN 0.429 nan 8.290 nan 0.000 0.512 2329 P HA 0.186 nan 4.420 nan 0.000 0.276 2329 P C 1.408 178.777 177.300 0.115 0.000 1.244 2329 P CA -0.718 62.457 63.100 0.125 0.000 0.801 2329 P CB 0.733 32.484 31.700 0.084 0.000 1.006 2330 M N 1.381 121.054 119.600 0.121 0.000 2.149 2330 M HA -0.165 4.313 4.480 -0.003 0.000 0.261 2330 M C 1.512 177.854 176.300 0.069 0.000 1.064 2330 M CA 2.029 57.385 55.300 0.093 0.000 1.102 2330 M CB -1.344 31.327 32.600 0.119 0.000 1.369 2330 M HN 0.438 nan 8.290 nan 0.000 0.408 2331 N N 0.481 119.222 118.700 0.068 0.000 2.430 2331 N HA -0.145 4.594 4.740 -0.003 0.000 0.186 2331 N C 1.398 176.928 175.510 0.032 0.000 1.032 2331 N CA 0.620 53.703 53.050 0.056 0.000 0.893 2331 N CB -0.101 38.413 38.487 0.046 0.000 0.957 2331 N HN 0.333 nan 8.380 nan 0.000 0.442 2332 K N 0.488 120.908 120.400 0.034 0.000 2.520 2332 K HA 0.073 4.392 4.320 -0.003 0.000 0.205 2332 K C 0.931 177.531 176.600 0.000 0.000 1.035 2332 K CA -0.233 56.070 56.287 0.027 0.000 1.188 2332 K CB 0.267 32.797 32.500 0.051 0.000 0.894 2332 K HN 0.179 nan 8.250 nan 0.000 0.497 2333 G N 0.367 109.150 108.800 -0.027 0.000 2.710 2333 G HA2 -0.080 3.878 3.960 -0.003 0.000 0.215 2333 G HA3 -0.080 3.878 3.960 -0.003 0.000 0.215 2333 G C 0.781 175.578 174.900 -0.172 0.000 1.345 2333 G CA 0.001 45.050 45.100 -0.085 0.000 0.812 2333 G HN 0.251 nan 8.290 nan 0.000 0.606 2334 D N 0.773 121.053 120.400 -0.199 0.000 2.103 2334 D HA 0.258 4.897 4.640 -0.003 0.000 0.199 2334 D C 1.566 177.589 176.300 -0.462 0.000 0.978 2334 D CA 1.457 55.109 54.000 -0.579 0.000 0.829 2334 D CB 0.085 40.362 40.800 -0.872 0.000 0.981 2334 D HN 0.689 nan 8.370 nan 0.000 0.464 2335 G N 0.349 109.068 108.800 -0.134 0.000 2.280 2335 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.277 2335 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.277 2335 G C -1.359 173.658 174.900 0.194 0.000 1.288 2335 G CA -0.624 44.513 45.100 0.061 0.000 1.075 2335 G HN 0.129 nan 8.290 nan 0.000 0.480 2336 I N 2.006 122.713 120.570 0.227 0.000 2.325 2336 I HA 0.537 4.706 4.170 -0.003 0.000 0.291 2336 I C 1.043 177.351 176.117 0.320 0.000 1.019 2336 I CA -0.294 61.135 61.300 0.215 0.000 1.302 2336 I CB 1.462 39.524 38.000 0.102 0.000 1.401 2336 I HN 0.857 nan 8.210 nan 0.000 0.485 2337 A N 6.886 129.920 122.820 0.357 0.000 2.409 2337 A HA 0.519 4.838 4.320 -0.003 0.000 0.262 2337 A C -0.249 177.291 177.584 -0.073 0.000 1.113 2337 A CA -0.164 51.927 52.037 0.090 0.000 0.790 2337 A CB 0.302 19.309 19.000 0.012 0.000 1.046 2337 A HN 0.783 nan 8.150 nan 0.000 0.496 2338 Q N 0.851 120.553 119.800 -0.164 0.000 2.526 2338 Q HA 0.556 4.895 4.340 -0.003 0.000 0.238 2338 Q C -0.515 175.443 176.000 -0.070 0.000 0.866 2338 Q CA -0.030 55.728 55.803 -0.074 0.000 0.801 2338 Q CB 1.786 30.501 28.738 -0.038 0.000 1.380 2338 Q HN 1.119 nan 8.270 nan 0.000 0.446 2339 A N 1.863 124.693 122.820 0.017 0.000 5.450 2339 A HA 0.851 5.169 4.320 -0.003 0.000 0.198 2339 A C -2.051 175.599 177.584 0.111 0.000 0.883 2339 A CA -0.542 51.547 52.037 0.087 0.000 0.784 2339 A CB 0.902 19.957 19.000 0.093 0.000 2.043 2339 A HN 0.594 nan 8.150 nan 0.000 0.994 2340 W N 0.382 121.397 121.300 -0.475 0.000 3.029 2340 W HA 0.588 5.247 4.660 -0.003 0.000 0.339 2340 W C -0.486 175.685 176.519 -0.580 0.000 1.198 2340 W CA -0.826 56.273 57.345 -0.409 0.000 1.148 2340 W CB 0.845 30.121 29.460 -0.307 0.000 1.451 2340 W HN 0.818 nan 8.180 nan 0.000 0.564 2341 K N 1.234 121.358 120.400 -0.459 0.000 3.277 2341 K HA 0.344 4.662 4.320 -0.003 0.000 0.280 2341 K C 0.472 176.724 176.600 -0.580 0.000 1.182 2341 K CA -0.064 55.965 56.287 -0.429 0.000 1.219 2341 K CB -0.573 31.886 32.500 -0.069 0.000 1.373 2341 K HN 0.556 nan 8.250 nan 0.000 0.392 2342 G N 1.301 109.161 108.800 -1.565 0.000 2.361 2342 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.260 2342 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.260 2342 G C -1.197 173.184 174.900 -0.865 0.000 1.261 2342 G CA -0.261 43.725 45.100 -1.857 0.000 0.897 2342 G HN 0.577 nan 8.290 nan 0.000 0.499 2343 H N 1.581 120.268 119.070 -0.638 0.000 2.467 2343 H HA 0.589 5.144 4.556 -0.003 0.000 0.326 2343 H C 0.050 175.204 175.328 -0.290 0.000 1.094 2343 H CA -0.200 55.454 56.048 -0.657 0.000 1.253 2343 H CB 1.456 30.189 29.762 -1.714 0.000 1.439 2343 H HN 0.603 nan 8.280 nan 0.000 0.479 2344 A N 5.270 127.843 122.820 -0.412 0.000 2.252 2344 A HA 0.490 4.808 4.320 -0.003 0.000 0.309 2344 A C -0.816 176.490 177.584 -0.463 0.000 1.285 2344 A CA -0.700 51.205 52.037 -0.220 0.000 0.900 2344 A CB 0.206 19.345 19.000 0.231 0.000 1.157 2344 A HN 0.530 nan 8.150 nan 0.000 0.536 2345 V N 3.336 122.915 119.914 -0.558 0.000 2.350 2345 V HA 0.325 4.444 4.120 -0.003 0.000 0.276 2345 V C -0.942 174.925 176.094 -0.379 0.000 1.028 2345 V CA -0.191 61.841 62.300 -0.447 0.000 0.860 2345 V CB 0.160 31.648 31.823 -0.559 0.000 0.990 2345 V HN 0.649 nan 8.190 nan 0.000 0.453 2346 F N 4.964 124.675 119.950 -0.398 0.000 2.334 2346 F HA 0.578 5.104 4.527 -0.003 0.000 0.367 2346 F C 0.897 176.534 175.800 -0.272 0.000 1.115 2346 F CA -0.620 57.203 58.000 -0.294 0.000 1.116 2346 F CB 0.669 39.532 39.000 -0.228 0.000 1.230 2346 F HN 0.381 nan 8.300 nan 0.000 0.484 2347 R N 1.278 121.708 120.500 -0.117 0.000 2.674 2347 R HA 0.411 4.749 4.340 -0.003 0.000 0.266 2347 R C -0.002 176.253 176.300 -0.076 0.000 1.016 2347 R CA -1.101 54.939 56.100 -0.100 0.000 1.062 2347 R CB 1.105 31.345 30.300 -0.101 0.000 1.142 2347 R HN 0.407 nan 8.270 nan 0.000 0.517 2348 N N 0.684 119.347 118.700 -0.061 0.000 2.681 2348 N HA 0.065 4.804 4.740 -0.003 0.000 0.311 2348 N C 0.467 175.953 175.510 -0.041 0.000 1.303 2348 N CA -0.326 52.691 53.050 -0.056 0.000 0.926 2348 N CB 0.922 39.382 38.487 -0.045 0.000 1.136 2348 N HN 0.494 nan 8.380 nan 0.000 0.592 2349 K N -0.136 120.246 120.400 -0.030 0.000 2.288 2349 K HA -0.000 4.318 4.320 -0.003 0.000 0.201 2349 K C 0.234 176.827 176.600 -0.012 0.000 1.048 2349 K CA 1.208 57.484 56.287 -0.019 0.000 0.956 2349 K CB 0.147 32.641 32.500 -0.011 0.000 0.746 2349 K HN 0.403 nan 8.250 nan 0.000 0.461 2350 E N -1.046 119.148 120.200 -0.010 0.000 2.474 2350 E HA 0.147 4.495 4.350 -0.003 0.000 0.195 2350 E C 0.635 177.234 176.600 -0.003 0.000 1.039 2350 E CA 0.536 56.934 56.400 -0.003 0.000 0.881 2350 E CB 1.089 30.791 29.700 0.003 0.000 0.970 2350 E HN 0.494 nan 8.360 nan 0.000 0.486 2351 G N 0.803 109.596 108.800 -0.010 0.000 2.195 2351 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.246 2351 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.246 2351 G C 0.039 174.935 174.900 -0.008 0.000 0.984 2351 G CA -0.109 44.985 45.100 -0.010 0.000 0.633 2351 G HN 0.304 nan 8.290 nan 0.000 0.525 2352 E N 0.905 121.104 120.200 -0.002 0.000 2.413 2352 E HA 0.270 4.619 4.350 -0.003 0.000 0.263 2352 E C 0.293 176.887 176.600 -0.010 0.000 1.015 2352 E CA 0.025 56.433 56.400 0.013 0.000 0.916 2352 E CB 0.563 30.278 29.700 0.024 0.000 0.947 2352 E HN 0.443 nan 8.360 nan 0.000 0.440 2353 E N 3.585 123.787 120.200 0.004 0.000 2.180 2353 E HA 0.115 4.464 4.350 -0.003 0.000 0.283 2353 E C -0.783 175.719 176.600 -0.163 0.000 1.061 2353 E CA -0.313 56.015 56.400 -0.120 0.000 0.861 2353 E CB 0.471 30.084 29.700 -0.146 0.000 1.056 2353 E HN 0.335 nan 8.360 nan 0.000 0.407 2354 L N 4.544 125.635 121.223 -0.221 0.000 2.375 2354 L HA 0.378 4.717 4.340 -0.003 0.000 0.271 2354 L C -0.542 176.096 176.870 -0.387 0.000 1.107 2354 L CA -0.559 54.199 54.840 -0.138 0.000 0.806 2354 L CB 0.564 42.572 42.059 -0.086 0.000 1.146 2354 L HN 0.506 nan 8.230 nan 0.000 0.447 2355 F N 1.375 121.296 119.950 -0.049 0.000 2.507 2355 F HA 0.435 4.960 4.527 -0.003 0.000 0.325 2355 F C 0.128 175.868 175.800 -0.099 0.000 1.116 2355 F CA -0.713 57.256 58.000 -0.051 0.000 0.930 2355 F CB 1.800 40.794 39.000 -0.010 0.000 1.146 2355 F HN 0.027 nan 8.300 nan 0.000 0.447 2356 V N 4.125 124.027 119.914 -0.020 0.000 2.607 2356 V HA 0.508 4.626 4.120 -0.003 0.000 0.289 2356 V C -0.214 175.917 176.094 0.063 0.000 1.053 2356 V CA -0.571 61.686 62.300 -0.071 0.000 0.996 2356 V CB 1.379 33.048 31.823 -0.255 0.000 0.995 2356 V HN 0.765 nan 8.190 nan 0.000 0.476 2357 R N 5.654 126.210 120.500 0.094 0.000 2.390 2357 R HA 0.395 4.734 4.340 -0.003 0.000 0.291 2357 R C 0.102 176.542 176.300 0.232 0.000 1.070 2357 R CA 0.023 56.221 56.100 0.162 0.000 1.014 2357 R CB 0.553 30.973 30.300 0.201 0.000 1.007 2357 R HN 0.778 nan 8.270 nan 0.000 0.466 2358 R N 3.367 123.967 120.500 0.167 0.000 2.577 2358 R HA 0.232 4.570 4.340 -0.003 0.000 0.269 2358 R C -0.027 176.272 176.300 -0.002 0.000 1.084 2358 R CA -0.673 55.531 56.100 0.174 0.000 1.163 2358 R CB 0.859 31.222 30.300 0.105 0.000 1.100 2358 R HN 0.571 nan 8.270 nan 0.000 0.547 2359 M N 2.914 122.539 119.600 0.042 0.000 2.120 2359 M HA 0.287 4.766 4.480 -0.003 0.000 0.354 2359 M C -2.301 173.971 176.300 -0.046 0.000 1.287 2359 M CA -1.742 53.327 55.300 -0.385 0.000 1.103 2359 M CB 1.346 33.961 32.600 0.025 0.000 1.623 2359 M HN 0.160 nan 8.290 nan 0.000 0.471 2360 P HA 0.182 nan 4.420 nan 0.000 0.282 2360 P C -0.222 177.231 177.300 0.254 0.000 1.262 2360 P CA -0.080 63.138 63.100 0.197 0.000 0.773 2360 P CB 0.983 32.832 31.700 0.248 0.000 0.879 2361 A N 2.822 125.772 122.820 0.216 0.000 2.255 2361 A HA -0.218 4.100 4.320 -0.003 0.000 0.218 2361 A C 1.624 179.189 177.584 -0.031 0.000 1.175 2361 A CA 1.334 53.334 52.037 -0.061 0.000 0.682 2361 A CB -1.570 17.327 19.000 -0.172 0.000 0.784 2361 A HN 0.561 nan 8.150 nan 0.000 0.482 2362 F N -1.391 118.563 119.950 0.008 0.000 2.270 2362 F HA 0.192 4.717 4.527 -0.003 0.000 0.295 2362 F C 0.454 176.167 175.800 -0.145 0.000 1.087 2362 F CA 0.344 58.287 58.000 -0.095 0.000 1.365 2362 F CB 0.093 39.003 39.000 -0.150 0.000 1.056 2362 F HN 0.145 nan 8.300 nan 0.000 0.506 2363 F N 0.832 120.906 119.950 0.207 0.000 2.389 2363 F HA 0.158 4.683 4.527 -0.002 0.000 0.337 2363 F C 1.516 177.380 175.800 0.107 0.000 1.112 2363 F CA -0.444 57.664 58.000 0.179 0.000 1.192 2363 F CB 0.468 39.603 39.000 0.224 0.000 1.185 2363 F HN -0.122 nan 8.300 nan 0.000 0.552 2364 E N 0.393 120.772 120.200 0.299 0.000 2.385 2364 E HA 0.024 4.372 4.350 -0.003 0.000 0.194 2364 E C -0.087 176.673 176.600 0.267 0.000 1.013 2364 E CA 0.442 56.967 56.400 0.209 0.000 0.866 2364 E CB 0.277 30.068 29.700 0.152 0.000 0.832 2364 E HN 0.518 nan 8.360 nan 0.000 0.500 2365 S N -0.313 115.601 115.700 0.358 0.000 2.546 2365 S HA 0.594 5.062 4.470 -0.003 0.000 0.272 2365 S C -1.023 173.844 174.600 0.444 0.000 1.140 2365 S CA -0.909 57.505 58.200 0.356 0.000 0.920 2365 S CB 1.553 64.913 63.200 0.267 0.000 1.083 2365 S HN -0.001 nan 8.310 nan 0.000 0.476 2366 F N 1.715 121.763 119.950 0.163 0.000 2.577 2366 F HA 0.760 5.285 4.527 -0.003 0.000 0.318 2366 F C -2.709 173.125 175.800 0.056 0.000 1.065 2366 F CA -1.941 56.085 58.000 0.043 0.000 0.929 2366 F CB 1.757 40.791 39.000 0.058 0.000 1.237 2366 F HN 0.468 nan 8.300 nan 0.000 0.468 2367 P HA 0.329 nan 4.420 nan 0.000 0.283 2367 P C -1.014 176.133 177.300 -0.255 0.000 1.412 2367 P CA -0.336 62.575 63.100 -0.315 0.000 0.912 2367 P CB 0.869 32.336 31.700 -0.389 0.000 1.132 2368 V N 5.499 125.382 119.914 -0.053 0.000 2.555 2368 V HA -0.071 4.047 4.120 -0.003 0.000 0.299 2368 V C 0.716 176.824 176.094 0.024 0.000 1.012 2368 V CA 0.955 63.266 62.300 0.018 0.000 1.180 2368 V CB -0.676 31.165 31.823 0.030 0.000 0.887 2368 V HN 0.527 nan 8.190 nan 0.000 0.476 2369 I N 5.851 126.432 120.570 0.017 0.000 2.722 2369 I HA 0.517 4.685 4.170 -0.003 0.000 0.295 2369 I C -1.061 175.051 176.117 -0.008 0.000 1.161 2369 I CA -0.730 60.572 61.300 0.004 0.000 1.032 2369 I CB 2.011 39.975 38.000 -0.061 0.000 1.244 2369 I HN 0.418 nan 8.210 nan 0.000 0.421 2370 L N 6.362 127.556 121.223 -0.048 0.000 2.333 2370 L HA 0.553 4.891 4.340 -0.003 0.000 0.280 2370 L C -0.447 176.370 176.870 -0.088 0.000 1.004 2370 L CA -0.446 54.338 54.840 -0.094 0.000 0.820 2370 L CB 1.885 43.843 42.059 -0.169 0.000 1.247 2370 L HN 0.532 nan 8.230 nan 0.000 0.416 2371 T N 0.324 114.867 114.554 -0.019 0.000 2.952 2371 T HA 0.284 4.632 4.350 -0.003 0.000 0.286 2371 T C -0.531 174.222 174.700 0.089 0.000 1.024 2371 T CA -0.532 61.572 62.100 0.006 0.000 1.029 2371 T CB 2.243 71.129 68.868 0.031 0.000 1.094 2371 T HN 0.642 nan 8.240 nan 0.000 0.515 2372 D N -0.386 120.051 120.400 0.061 0.000 2.423 2372 D HA 0.215 4.854 4.640 -0.003 0.000 0.255 2372 D C 1.256 177.626 176.300 0.116 0.000 1.174 2372 D CA -0.712 53.364 54.000 0.126 0.000 1.008 2372 D CB 0.818 41.646 40.800 0.046 0.000 1.101 2372 D HN 0.507 nan 8.370 nan 0.000 0.516 2373 K N 0.352 120.825 120.400 0.122 0.000 2.519 2373 K HA -0.070 4.248 4.320 -0.003 0.000 0.196 2373 K C 0.736 177.210 176.600 -0.210 0.000 1.041 2373 K CA 1.041 57.171 56.287 -0.262 0.000 0.954 2373 K CB -0.332 32.101 32.500 -0.111 0.000 0.774 2373 K HN 0.329 nan 8.250 nan 0.000 0.480 2374 N N -0.248 118.399 118.700 -0.088 0.000 2.282 2374 N HA 0.069 4.807 4.740 -0.003 0.000 0.185 2374 N C 0.559 176.031 175.510 -0.063 0.000 1.099 2374 N CA 0.332 53.340 53.050 -0.071 0.000 0.878 2374 N CB 1.131 39.598 38.487 -0.033 0.000 0.993 2374 N HN 0.418 nan 8.380 nan 0.000 0.481 2375 G N 0.122 108.887 108.800 -0.058 0.000 2.205 2375 G HA2 -0.206 3.753 3.960 -0.003 0.000 0.180 2375 G HA3 -0.206 3.753 3.960 -0.003 0.000 0.180 2375 G C 0.008 174.888 174.900 -0.033 0.000 1.004 2375 G CA -0.173 44.900 45.100 -0.044 0.000 0.670 2375 G HN 0.081 nan 8.290 nan 0.000 0.496 2376 V N 0.769 120.665 119.914 -0.030 0.000 3.096 2376 V HA 0.499 4.617 4.120 -0.003 0.000 0.306 2376 V C 1.110 177.156 176.094 -0.080 0.000 1.088 2376 V CA -0.468 61.809 62.300 -0.039 0.000 1.129 2376 V CB 1.682 33.490 31.823 -0.024 0.000 1.014 2376 V HN 0.329 nan 8.190 nan 0.000 0.486 2377 V N 3.504 123.331 119.914 -0.145 0.000 2.370 2377 V HA 0.415 4.533 4.120 -0.003 0.000 0.279 2377 V C 0.559 176.379 176.094 -0.458 0.000 1.029 2377 V CA -0.531 61.593 62.300 -0.293 0.000 0.870 2377 V CB 1.103 32.706 31.823 -0.367 0.000 0.984 2377 V HN 0.876 nan 8.190 nan 0.000 0.451 2378 K N 2.839 123.017 120.400 -0.370 0.000 2.309 2378 K HA 0.519 4.838 4.320 -0.003 0.000 0.210 2378 K C 0.569 176.974 176.600 -0.324 0.000 1.114 2378 K CA 0.831 56.933 56.287 -0.308 0.000 0.912 2378 K CB 0.608 33.012 32.500 -0.161 0.000 1.198 2378 K HN 0.676 nan 8.250 nan 0.000 0.471 2379 A N 2.210 124.856 122.820 -0.290 0.000 2.384 2379 A HA 0.610 4.928 4.320 -0.003 0.000 0.312 2379 A C -1.181 176.356 177.584 -0.079 0.000 1.113 2379 A CA -0.476 51.411 52.037 -0.251 0.000 0.779 2379 A CB 1.198 19.829 19.000 -0.615 0.000 1.307 2379 A HN 0.365 nan 8.150 nan 0.000 0.436 2380 D N -0.584 119.906 120.400 0.149 0.000 2.639 2380 D HA 0.289 4.927 4.640 -0.003 0.000 0.271 2380 D C -1.476 175.031 176.300 0.346 0.000 1.254 2380 D CA -0.312 53.820 54.000 0.221 0.000 0.810 2380 D CB 1.010 41.889 40.800 0.131 0.000 1.351 2380 D HN 0.339 nan 8.370 nan 0.000 0.427 2381 I N 1.586 122.279 120.570 0.205 0.000 2.442 2381 I HA 0.180 4.348 4.170 -0.003 0.000 0.279 2381 I C -1.976 174.209 176.117 0.114 0.000 1.081 2381 I CA -1.644 59.727 61.300 0.119 0.000 1.197 2381 I CB 1.227 39.217 38.000 -0.017 0.000 1.394 2381 I HN 0.090 nan 8.210 nan 0.000 0.488 2382 P HA -0.151 nan 4.420 nan 0.000 0.264 2382 P C 0.067 177.447 177.300 0.133 0.000 1.173 2382 P CA 0.452 63.633 63.100 0.136 0.000 0.761 2382 P CB 1.154 32.920 31.700 0.110 0.000 0.794 2383 F N 2.635 122.600 119.950 0.025 0.000 2.298 2383 F HA 0.175 4.701 4.527 -0.003 0.000 0.282 2383 F C 1.554 177.364 175.800 0.017 0.000 1.045 2383 F CA 0.508 58.518 58.000 0.016 0.000 1.280 2383 F CB 0.310 39.318 39.000 0.013 0.000 1.114 2383 F HN 0.100 nan 8.300 nan 0.000 0.546 2384 R N 2.192 122.830 120.500 0.229 0.000 2.408 2384 R HA 0.192 4.530 4.340 -0.003 0.000 0.308 2384 R C 1.001 177.337 176.300 0.060 0.000 1.210 2384 R CA -0.276 55.896 56.100 0.119 0.000 1.115 2384 R CB 0.348 30.735 30.300 0.145 0.000 1.127 2384 R HN 0.346 nan 8.270 nan 0.000 0.523 2385 R N 1.337 121.844 120.500 0.012 0.000 2.152 2385 R HA -0.149 4.190 4.340 -0.003 0.000 0.232 2385 R C 1.821 178.131 176.300 0.016 0.000 1.117 2385 R CA 1.270 57.378 56.100 0.013 0.000 0.981 2385 R CB -0.292 30.000 30.300 -0.013 0.000 0.870 2385 R HN 0.470 nan 8.270 nan 0.000 0.451 2386 A N 1.990 124.819 122.820 0.014 0.000 1.842 2386 A HA -0.204 4.115 4.320 -0.003 0.000 0.217 2386 A C 1.638 179.229 177.584 0.012 0.000 1.206 2386 A CA 1.317 53.361 52.037 0.012 0.000 0.630 2386 A CB -0.397 18.610 19.000 0.013 0.000 0.839 2386 A HN 0.313 nan 8.150 nan 0.000 0.447 2387 E N 0.448 120.657 120.200 0.016 0.000 2.311 2387 E HA 0.198 4.546 4.350 -0.003 0.000 0.198 2387 E C -0.127 176.473 176.600 0.000 0.000 1.115 2387 E CA -0.319 56.083 56.400 0.005 0.000 1.140 2387 E CB -0.096 29.607 29.700 0.005 0.000 1.204 2387 E HN 0.437 nan 8.360 nan 0.000 0.446 2388 S N 0.136 115.843 115.700 0.012 0.000 2.572 2388 S HA 0.095 4.564 4.470 -0.003 0.000 0.279 2388 S C 0.809 175.398 174.600 -0.020 0.000 1.341 2388 S CA 0.191 58.403 58.200 0.019 0.000 1.043 2388 S CB 0.762 63.990 63.200 0.047 0.000 0.887 2388 S HN 0.287 nan 8.310 nan 0.000 0.516 2389 K N 2.283 122.648 120.400 -0.058 0.000 2.585 2389 K HA 0.135 4.454 4.320 -0.003 0.000 0.210 2389 K C 0.144 176.675 176.600 -0.115 0.000 1.504 2389 K CA 0.189 56.382 56.287 -0.157 0.000 1.029 2389 K CB 0.420 32.710 32.500 -0.350 0.000 1.332 2389 K HN 0.726 nan 8.250 nan 0.000 0.569 2390 Y N 2.391 122.712 120.300 0.035 0.000 2.658 2390 Y HA 0.134 4.682 4.550 -0.003 0.000 0.276 2390 Y C 0.682 176.617 175.900 0.059 0.000 1.167 2390 Y CA -0.931 57.188 58.100 0.030 0.000 1.230 2390 Y CB 0.526 39.001 38.460 0.026 0.000 1.144 2390 Y HN -0.026 nan 8.280 nan 0.000 0.529 2391 S N -0.585 115.244 115.700 0.215 0.000 2.587 2391 S HA -0.173 4.296 4.470 -0.003 0.000 0.257 2391 S C 0.643 175.399 174.600 0.260 0.000 1.397 2391 S CA -0.061 58.274 58.200 0.226 0.000 0.983 2391 S CB 0.237 63.531 63.200 0.156 0.000 0.885 2391 S HN 0.309 nan 8.310 nan 0.000 0.556 2392 F N 0.786 120.776 119.950 0.067 0.000 2.473 2392 F HA 0.198 4.723 4.527 -0.003 0.000 0.294 2392 F C 2.302 178.134 175.800 0.054 0.000 1.103 2392 F CA 0.671 58.710 58.000 0.063 0.000 1.442 2392 F CB -0.367 38.670 39.000 0.063 0.000 1.097 2392 F HN 0.521 nan 8.300 nan 0.000 0.547 2393 E N -0.633 119.709 120.200 0.236 0.000 2.122 2393 E HA -0.151 4.197 4.350 -0.003 0.000 0.190 2393 E C 1.953 178.608 176.600 0.090 0.000 0.977 2393 E CA 0.580 57.063 56.400 0.139 0.000 0.820 2393 E CB -0.249 29.514 29.700 0.106 0.000 0.770 2393 E HN 0.173 nan 8.360 nan 0.000 0.462 2394 Q N 0.478 120.332 119.800 0.089 0.000 2.167 2394 Q HA -0.041 4.297 4.340 -0.003 0.000 0.202 2394 Q C 1.527 177.557 176.000 0.049 0.000 0.970 2394 Q CA 1.459 57.299 55.803 0.061 0.000 0.855 2394 Q CB 0.205 28.979 28.738 0.060 0.000 0.911 2394 Q HN 0.227 nan 8.270 nan 0.000 0.438 2395 Q N -1.144 118.684 119.800 0.045 0.000 2.319 2395 Q HA 0.222 4.560 4.340 -0.003 0.000 0.209 2395 Q C -0.192 175.802 176.000 -0.010 0.000 0.884 2395 Q CA 0.326 56.137 55.803 0.014 0.000 0.938 2395 Q CB 0.815 29.554 28.738 0.001 0.000 1.098 2395 Q HN 0.450 nan 8.270 nan 0.000 0.517 2396 G N 1.864 110.671 108.800 0.011 0.000 2.402 2396 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.206 2396 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.206 2396 G C -0.176 174.708 174.900 -0.026 0.000 0.637 2396 G CA 0.022 45.131 45.100 0.015 0.000 0.974 2396 G HN 0.123 nan 8.290 nan 0.000 0.308 2397 V N 2.141 122.041 119.914 -0.023 0.000 3.211 2397 V HA 0.961 5.079 4.120 -0.003 0.000 0.319 2397 V C 0.782 176.873 176.094 -0.005 0.000 1.096 2397 V CA 0.015 62.278 62.300 -0.063 0.000 1.029 2397 V CB 2.156 33.873 31.823 -0.176 0.000 1.137 2397 V HN 1.123 nan 8.190 nan 0.000 0.453 2398 T N 0.590 115.105 114.554 -0.065 0.000 3.041 2398 T HA 0.577 4.925 4.350 -0.003 0.000 0.321 2398 T C -1.549 172.947 174.700 -0.339 0.000 1.184 2398 T CA -0.270 61.754 62.100 -0.127 0.000 1.050 2398 T CB 1.513 70.320 68.868 -0.102 0.000 1.159 2398 T HN 0.421 nan 8.240 nan 0.000 0.469 2399 V N 3.731 123.371 119.914 -0.457 0.000 2.483 2399 V HA 0.749 4.867 4.120 -0.003 0.000 0.295 2399 V C -0.092 175.607 176.094 -0.659 0.000 1.035 2399 V CA -0.605 61.150 62.300 -0.909 0.000 0.896 2399 V CB 1.892 33.008 31.823 -1.178 0.000 0.986 2399 V HN 0.965 nan 8.190 nan 0.000 0.447 2400 S N 4.213 119.501 115.700 -0.687 0.000 2.733 2400 S HA 0.602 5.070 4.470 -0.003 0.000 0.294 2400 S C -0.944 173.513 174.600 -0.238 0.000 1.149 2400 S CA -0.367 57.649 58.200 -0.307 0.000 1.034 2400 S CB 0.730 63.923 63.200 -0.011 0.000 1.015 2400 S HN 0.448 nan 8.310 nan 0.000 0.486 2401 F N 3.523 123.543 119.950 0.116 0.000 2.404 2401 F HA 0.350 4.875 4.527 -0.003 0.000 0.359 2401 F C -0.306 175.710 175.800 0.360 0.000 1.134 2401 F CA -0.815 57.294 58.000 0.182 0.000 1.160 2401 F CB 0.181 39.292 39.000 0.184 0.000 1.186 2401 F HN 0.488 nan 8.300 nan 0.000 0.526 2402 Y N 2.380 122.736 120.300 0.092 0.000 2.931 2402 Y HA 0.611 5.159 4.550 -0.003 0.000 0.330 2402 Y C 0.598 176.534 175.900 0.061 0.000 1.115 2402 Y CA -1.511 56.624 58.100 0.060 0.000 1.283 2402 Y CB 0.755 39.205 38.460 -0.016 0.000 1.215 2402 Y HN 0.589 nan 8.280 nan 0.000 0.534 2403 G N -0.318 108.741 108.800 0.431 0.000 3.086 2403 G HA2 0.550 4.509 3.960 -0.003 0.000 0.282 2403 G HA3 0.550 4.509 3.960 -0.003 0.000 0.282 2403 G C 0.042 175.195 174.900 0.421 0.000 1.343 2403 G CA -0.597 44.742 45.100 0.399 0.000 0.895 2403 G HN 0.629 nan 8.290 nan 0.000 0.557 2404 G N -0.826 108.191 108.800 0.362 0.000 2.670 2404 G HA2 0.244 4.203 3.960 -0.003 0.000 0.233 2404 G HA3 0.244 4.203 3.960 -0.003 0.000 0.233 2404 G C 0.844 175.911 174.900 0.278 0.000 1.251 2404 G CA 0.605 45.870 45.100 0.275 0.000 0.849 2404 G HN 0.574 nan 8.290 nan 0.000 0.588 2405 E N -0.100 120.186 120.200 0.143 0.000 2.181 2405 E HA -0.281 4.067 4.350 -0.003 0.000 0.225 2405 E C 2.432 179.013 176.600 -0.033 0.000 1.073 2405 E CA 1.599 58.033 56.400 0.056 0.000 0.916 2405 E CB -0.485 29.231 29.700 0.028 0.000 0.793 2405 E HN 0.417 nan 8.360 nan 0.000 0.472 2406 L N -0.024 121.155 121.223 -0.072 0.000 2.151 2406 L HA -0.199 4.139 4.340 -0.003 0.000 0.215 2406 L C 0.364 176.850 176.870 -0.639 0.000 1.084 2406 L CA 1.592 56.219 54.840 -0.355 0.000 0.764 2406 L CB -0.045 41.721 42.059 -0.489 0.000 0.891 2406 L HN 0.099 nan 8.230 nan 0.000 0.435 2407 N N -0.839 117.442 118.700 -0.699 0.000 2.722 2407 N HA 0.273 5.012 4.740 -0.003 0.000 0.242 2407 N C -0.366 175.043 175.510 -0.168 0.000 1.398 2407 N CA 0.340 52.962 53.050 -0.713 0.000 0.755 2407 N CB 0.836 38.321 38.487 -1.669 0.000 1.268 2407 N HN 0.033 nan 8.380 nan 0.000 0.522 2408 G N 1.620 110.393 108.800 -0.045 0.000 3.964 2408 G HA2 0.371 4.330 3.960 -0.003 0.000 0.289 2408 G HA3 0.371 4.330 3.960 -0.003 0.000 0.289 2408 G C 0.086 174.981 174.900 -0.008 0.000 1.176 2408 G CA -0.097 45.026 45.100 0.039 0.000 1.553 2408 G HN 0.458 nan 8.290 nan 0.000 0.588 2409 Q N -0.098 119.737 119.800 0.059 0.000 3.080 2409 Q HA 0.717 5.056 4.340 -0.003 0.000 0.380 2409 Q C -0.948 175.042 176.000 -0.016 0.000 0.757 2409 Q CA -0.912 54.874 55.803 -0.028 0.000 0.878 2409 Q CB 1.249 29.934 28.738 -0.088 0.000 1.438 2409 Q HN 0.132 nan 8.270 nan 0.000 0.419 2410 T N 0.197 114.638 114.554 -0.189 0.000 2.923 2410 T HA 0.680 5.028 4.350 -0.003 0.000 0.311 2410 T C -1.628 172.749 174.700 -0.538 0.000 1.183 2410 T CA -0.540 61.433 62.100 -0.212 0.000 1.020 2410 T CB 0.919 69.684 68.868 -0.172 0.000 1.165 2410 T HN 0.315 nan 8.240 nan 0.000 0.482 2411 F N 0.224 120.059 119.950 -0.192 0.000 2.576 2411 F HA 0.630 5.156 4.527 -0.002 0.000 0.313 2411 F C 1.136 176.863 175.800 -0.122 0.000 1.078 2411 F CA -0.740 57.176 58.000 -0.141 0.000 0.921 2411 F CB 2.547 41.456 39.000 -0.151 0.000 1.232 2411 F HN 0.600 nan 8.300 nan 0.000 0.459 2412 T N -1.742 112.866 114.554 0.089 0.000 3.174 2412 T HA 0.052 4.401 4.350 -0.003 0.000 0.252 2412 T C -0.338 174.414 174.700 0.087 0.000 0.984 2412 T CA -0.091 62.040 62.100 0.051 0.000 1.113 2412 T CB 0.013 68.884 68.868 0.006 0.000 1.088 2412 T HN 0.396 nan 8.240 nan 0.000 0.442 2413 D N 3.147 123.610 120.400 0.104 0.000 2.629 2413 D HA -0.019 4.619 4.640 -0.003 0.000 0.228 2413 D C -1.478 174.888 176.300 0.110 0.000 1.127 2413 D CA -0.700 53.358 54.000 0.096 0.000 0.855 2413 D CB 0.838 41.698 40.800 0.100 0.000 1.180 2413 D HN 0.190 nan 8.370 nan 0.000 0.484 2414 P HA -0.043 nan 4.420 nan 0.000 0.222 2414 P C -1.651 175.679 177.300 0.052 0.000 1.153 2414 P CA 0.814 63.980 63.100 0.111 0.000 0.798 2414 P CB -0.278 31.485 31.700 0.105 0.000 0.796 2415 P HA -0.040 nan 4.420 nan 0.000 0.217 2415 P C 1.746 179.045 177.300 -0.001 0.000 1.154 2415 P CA 1.623 64.720 63.100 -0.005 0.000 0.841 2415 P CB -0.570 31.132 31.700 0.003 0.000 0.788 2416 T N -0.210 114.377 114.554 0.055 0.000 2.639 2416 T HA -0.098 4.250 4.350 -0.003 0.000 0.261 2416 T C 1.909 176.699 174.700 0.150 0.000 1.053 2416 T CA 1.296 63.447 62.100 0.085 0.000 1.158 2416 T CB -1.253 67.725 68.868 0.184 0.000 0.863 2416 T HN -0.197 nan 8.240 nan 0.000 0.413 2417 V N 1.926 121.952 119.914 0.186 0.000 2.277 2417 V HA -0.337 3.781 4.120 -0.003 0.000 0.255 2417 V C 2.511 178.752 176.094 0.246 0.000 1.074 2417 V CA 1.945 64.377 62.300 0.219 0.000 1.058 2417 V CB -0.616 31.339 31.823 0.220 0.000 0.656 2417 V HN 0.498 nan 8.190 nan 0.000 0.449 2418 K N -0.327 120.096 120.400 0.039 0.000 2.009 2418 K HA -0.233 4.085 4.320 -0.003 0.000 0.210 2418 K C 2.455 179.013 176.600 -0.070 0.000 1.049 2418 K CA 1.808 57.977 56.287 -0.196 0.000 0.929 2418 K CB -0.596 31.696 32.500 -0.347 0.000 0.714 2418 K HN 0.438 nan 8.250 nan 0.000 0.440 2419 S N 0.457 116.101 115.700 -0.094 0.000 2.393 2419 S HA -0.272 4.196 4.470 -0.003 0.000 0.235 2419 S C 1.953 176.476 174.600 -0.128 0.000 1.061 2419 S CA 1.830 59.923 58.200 -0.178 0.000 1.129 2419 S CB -0.549 62.446 63.200 -0.341 0.000 1.011 2419 S HN 0.344 nan 8.310 nan 0.000 0.436 2420 Y N 1.771 122.107 120.300 0.061 0.000 2.193 2420 Y HA -0.138 4.410 4.550 -0.003 0.000 0.285 2420 Y C 2.809 178.834 175.900 0.209 0.000 1.166 2420 Y CA 0.944 59.146 58.100 0.171 0.000 1.181 2420 Y CB -0.907 37.713 38.460 0.267 0.000 0.976 2420 Y HN 0.412 nan 8.280 nan 0.000 0.520 2421 A N 0.929 123.976 122.820 0.379 0.000 1.903 2421 A HA -0.321 3.997 4.320 -0.003 0.000 0.219 2421 A C 2.233 179.840 177.584 0.038 0.000 1.191 2421 A CA 2.490 54.627 52.037 0.166 0.000 0.638 2421 A CB -0.700 18.393 19.000 0.155 0.000 0.823 2421 A HN 0.535 nan 8.150 nan 0.000 0.451 2422 R N -0.688 119.802 120.500 -0.018 0.000 2.073 2422 R HA -0.017 4.321 4.340 -0.003 0.000 0.229 2422 R C 1.705 177.799 176.300 -0.344 0.000 1.120 2422 R CA 1.193 57.223 56.100 -0.117 0.000 0.967 2422 R CB -0.289 29.934 30.300 -0.127 0.000 0.862 2422 R HN 0.267 nan 8.270 nan 0.000 0.436 2423 K N 0.792 121.039 120.400 -0.256 0.000 2.439 2423 K HA 0.082 4.401 4.320 -0.003 0.000 0.197 2423 K C 1.773 178.347 176.600 -0.043 0.000 1.041 2423 K CA 0.919 57.023 56.287 -0.305 0.000 0.970 2423 K CB 0.118 32.576 32.500 -0.070 0.000 0.773 2423 K HN 0.216 nan 8.250 nan 0.000 0.479 2424 A N 1.324 124.181 122.820 0.062 0.000 1.903 2424 A HA 0.018 4.337 4.320 -0.003 0.000 0.213 2424 A C 2.112 179.816 177.584 0.200 0.000 1.185 2424 A CA 0.419 52.550 52.037 0.156 0.000 0.628 2424 A CB -0.384 18.661 19.000 0.075 0.000 0.830 2424 A HN 0.149 nan 8.150 nan 0.000 0.446 2425 I N -0.463 120.206 120.570 0.164 0.000 2.479 2425 I HA -0.284 3.885 4.170 -0.003 0.000 0.258 2425 I C 1.378 177.889 176.117 0.656 0.000 1.165 2425 I CA 1.283 62.792 61.300 0.349 0.000 1.422 2425 I CB -0.347 37.871 38.000 0.364 0.000 1.087 2425 I HN 0.383 nan 8.210 nan 0.000 0.441 2426 F N 0.261 120.434 119.950 0.373 0.000 2.773 2426 F HA 0.184 4.709 4.527 -0.003 0.000 0.304 2426 F C 1.732 177.867 175.800 0.559 0.000 1.129 2426 F CA -0.024 58.242 58.000 0.443 0.000 1.378 2426 F CB 0.060 39.392 39.000 0.553 0.000 1.095 2426 F HN 0.279 nan 8.300 nan 0.000 0.565 2427 G N 0.579 109.792 108.800 0.689 0.000 2.848 2427 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.246 2427 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.246 2427 G C -0.265 174.910 174.900 0.458 0.000 1.374 2427 G CA -0.697 44.772 45.100 0.616 0.000 0.982 2427 G HN 0.097 nan 8.290 nan 0.000 0.563 2428 E N 0.845 121.338 120.200 0.488 0.000 2.374 2428 E HA 0.586 4.934 4.350 -0.003 0.000 0.260 2428 E C 0.275 176.997 176.600 0.203 0.000 1.101 2428 E CA -0.127 56.432 56.400 0.265 0.000 0.907 2428 E CB 0.909 30.785 29.700 0.294 0.000 1.014 2428 E HN 0.503 nan 8.360 nan 0.000 0.427 2429 I N 1.970 122.437 120.570 -0.173 0.000 2.404 2429 I HA 0.357 4.525 4.170 -0.003 0.000 0.293 2429 I C -0.251 175.623 176.117 -0.405 0.000 0.992 2429 I CA -0.441 60.804 61.300 -0.092 0.000 1.149 2429 I CB 0.688 38.717 38.000 0.048 0.000 1.315 2429 I HN 0.254 nan 8.210 nan 0.000 0.446 2430 F N 2.787 122.606 119.950 -0.218 0.000 2.664 2430 F HA 0.490 5.016 4.527 -0.003 0.000 0.329 2430 F C -0.036 175.494 175.800 -0.450 0.000 1.090 2430 F CA -0.766 56.986 58.000 -0.413 0.000 0.978 2430 F CB 1.777 40.267 39.000 -0.850 0.000 1.378 2430 F HN 0.358 nan 8.300 nan 0.000 0.495 2431 E N 0.875 120.844 120.200 -0.385 0.000 2.210 2431 E HA 0.555 4.903 4.350 -0.003 0.000 0.266 2431 E C -1.994 174.266 176.600 -0.565 0.000 0.883 2431 E CA -0.456 55.756 56.400 -0.313 0.000 0.761 2431 E CB 1.185 30.806 29.700 -0.132 0.000 1.156 2431 E HN 0.372 nan 8.360 nan 0.000 0.412 2432 F N 2.020 122.003 119.950 0.055 0.000 2.532 2432 F HA 0.223 4.749 4.527 -0.002 0.000 0.321 2432 F C 0.508 176.326 175.800 0.030 0.000 1.089 2432 F CA -1.089 56.939 58.000 0.047 0.000 0.926 2432 F CB 1.523 40.561 39.000 0.064 0.000 1.168 2432 F HN 0.396 nan 8.300 nan 0.000 0.459 2433 D N 2.004 122.521 120.400 0.195 0.000 2.885 2433 D HA 0.008 4.647 4.640 -0.003 0.000 0.234 2433 D C 1.221 177.587 176.300 0.111 0.000 1.129 2433 D CA 0.354 54.419 54.000 0.110 0.000 0.991 2433 D CB 0.073 40.914 40.800 0.069 0.000 1.137 2433 D HN 0.603 nan 8.370 nan 0.000 0.459 2434 T N 0.587 115.218 114.554 0.128 0.000 2.653 2434 T HA -0.237 4.111 4.350 -0.003 0.000 0.267 2434 T C 1.544 176.274 174.700 0.049 0.000 1.037 2434 T CA 1.221 63.372 62.100 0.084 0.000 1.159 2434 T CB 0.047 68.959 68.868 0.072 0.000 0.859 2434 T HN 0.430 nan 8.240 nan 0.000 0.449 2435 E N 0.835 121.060 120.200 0.041 0.000 2.209 2435 E HA -0.108 4.240 4.350 -0.003 0.000 0.196 2435 E C 2.357 178.969 176.600 0.020 0.000 0.993 2435 E CA 1.291 57.706 56.400 0.026 0.000 0.819 2435 E CB -0.699 29.013 29.700 0.020 0.000 0.745 2435 E HN 0.587 nan 8.360 nan 0.000 0.477 2436 T N 1.109 115.676 114.554 0.022 0.000 2.881 2436 T HA -0.065 4.284 4.350 -0.003 0.000 0.270 2436 T C 1.809 176.515 174.700 0.009 0.000 1.068 2436 T CA 0.843 62.950 62.100 0.012 0.000 1.131 2436 T CB 0.029 68.903 68.868 0.010 0.000 0.871 2436 T HN 0.151 nan 8.240 nan 0.000 0.479 2437 L N 0.091 121.323 121.223 0.015 0.000 2.966 2437 L HA 0.378 4.716 4.340 -0.003 0.000 0.262 2437 L C 0.484 177.363 176.870 0.017 0.000 1.165 2437 L CA -0.275 54.573 54.840 0.014 0.000 0.978 2437 L CB -0.286 41.783 42.059 0.016 0.000 1.337 2437 L HN 0.274 nan 8.230 nan 0.000 0.563 2438 N N 1.758 120.468 118.700 0.017 0.000 2.681 2438 N HA -0.187 4.551 4.740 -0.003 0.000 0.259 2438 N C 0.094 175.615 175.510 0.017 0.000 1.066 2438 N CA 0.317 53.377 53.050 0.016 0.000 0.717 2438 N CB -0.084 38.411 38.487 0.014 0.000 0.885 2438 N HN 0.311 nan 8.380 nan 0.000 0.547 2439 S N 0.154 115.864 115.700 0.015 0.000 2.572 2439 S HA 0.071 4.540 4.470 -0.003 0.000 0.279 2439 S C 0.937 175.539 174.600 0.003 0.000 1.341 2439 S CA -0.236 57.969 58.200 0.008 0.000 1.043 2439 S CB 0.854 64.051 63.200 -0.005 0.000 0.887 2439 S HN 0.323 nan 8.310 nan 0.000 0.516 2440 D N 2.290 122.693 120.400 0.004 0.000 2.346 2440 D HA 0.174 4.812 4.640 -0.003 0.000 0.206 2440 D C 1.365 177.651 176.300 -0.024 0.000 1.001 2440 D CA 1.018 55.021 54.000 0.005 0.000 0.871 2440 D CB -0.014 40.806 40.800 0.033 0.000 0.943 2440 D HN 0.918 nan 8.370 nan 0.000 0.518 2441 G N 1.163 109.926 108.800 -0.063 0.000 2.131 2441 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.223 2441 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.223 2441 G C 0.233 175.002 174.900 -0.218 0.000 0.990 2441 G CA -0.195 44.829 45.100 -0.127 0.000 0.671 2441 G HN 0.311 nan 8.290 nan 0.000 0.521 2442 I N 0.410 120.876 120.570 -0.174 0.000 2.460 2442 I HA 0.513 4.681 4.170 -0.003 0.000 0.298 2442 I C 0.850 176.789 176.117 -0.297 0.000 0.989 2442 I CA -1.213 59.957 61.300 -0.217 0.000 1.173 2442 I CB 1.086 39.099 38.000 0.022 0.000 1.338 2442 I HN 0.002 nan 8.210 nan 0.000 0.456 2443 F N 4.608 124.427 119.950 -0.217 0.000 2.545 2443 F HA 0.257 4.783 4.527 -0.003 0.000 0.348 2443 F C 1.008 176.508 175.800 -0.500 0.000 1.163 2443 F CA 0.114 57.918 58.000 -0.327 0.000 1.331 2443 F CB 0.475 39.263 39.000 -0.353 0.000 1.138 2443 F HN 0.361 nan 8.300 nan 0.000 0.602 2444 R N 0.265 120.674 120.500 -0.151 0.000 2.885 2444 R HA 0.540 4.879 4.340 -0.003 0.000 0.260 2444 R C -1.183 175.010 176.300 -0.179 0.000 1.107 2444 R CA -1.015 54.923 56.100 -0.269 0.000 0.978 2444 R CB 1.855 32.097 30.300 -0.096 0.000 1.227 2444 R HN 0.465 nan 8.270 nan 0.000 0.473 2445 T N 0.815 115.311 114.554 -0.097 0.000 2.888 2445 T HA 0.276 4.625 4.350 -0.003 0.000 0.284 2445 T C 0.225 174.956 174.700 0.053 0.000 1.017 2445 T CA -0.727 61.282 62.100 -0.150 0.000 1.022 2445 T CB 1.590 70.191 68.868 -0.446 0.000 1.013 2445 T HN 0.650 nan 8.240 nan 0.000 0.465 2446 S N 2.159 117.863 115.700 0.006 0.000 2.608 2446 S HA 0.206 4.675 4.470 -0.003 0.000 0.261 2446 S C -1.921 172.855 174.600 0.295 0.000 1.314 2446 S CA -1.095 57.197 58.200 0.154 0.000 0.992 2446 S CB 0.148 63.363 63.200 0.025 0.000 0.935 2446 S HN 0.359 nan 8.310 nan 0.000 0.564 2447 P HA -0.052 nan 4.420 nan 0.000 0.219 2447 P C 1.446 179.041 177.300 0.492 0.000 1.146 2447 P CA 0.974 64.395 63.100 0.535 0.000 0.808 2447 P CB 0.070 32.127 31.700 0.595 0.000 0.779 2448 R N -0.846 119.843 120.500 0.314 0.000 2.073 2448 R HA -0.058 4.280 4.340 -0.003 0.000 0.234 2448 R C 2.511 178.992 176.300 0.302 0.000 1.134 2448 R CA 1.789 58.025 56.100 0.227 0.000 0.952 2448 R CB -1.497 28.827 30.300 0.041 0.000 0.850 2448 R HN 0.238 nan 8.270 nan 0.000 0.433 2449 G N 0.028 108.939 108.800 0.185 0.000 2.418 2449 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.217 2449 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.217 2449 G C 1.069 175.977 174.900 0.013 0.000 1.158 2449 G CA 0.487 45.656 45.100 0.114 0.000 0.771 2449 G HN 0.398 nan 8.290 nan 0.000 0.545 2450 W N -0.394 121.010 121.300 0.173 0.000 2.358 2450 W HA 0.053 4.711 4.660 -0.004 0.000 0.303 2450 W C 2.178 178.730 176.519 0.055 0.000 1.208 2450 W CA 0.263 57.666 57.345 0.096 0.000 1.274 2450 W CB -0.345 29.129 29.460 0.023 0.000 1.138 2450 W HN 0.172 nan 8.180 nan 0.000 0.515 2451 F N 0.931 121.033 119.950 0.254 0.000 2.234 2451 F HA -0.177 4.348 4.527 -0.002 0.000 0.299 2451 F C 2.180 178.042 175.800 0.104 0.000 1.087 2451 F CA 1.981 60.093 58.000 0.188 0.000 1.340 2451 F CB -0.701 38.540 39.000 0.401 0.000 1.031 2451 F HN -0.329 nan 8.300 nan 0.000 0.500 2452 T N 0.480 115.288 114.554 0.424 0.000 2.735 2452 T HA -0.148 4.200 4.350 -0.003 0.000 0.256 2452 T C 1.651 176.345 174.700 -0.010 0.000 1.042 2452 T CA 1.328 63.570 62.100 0.237 0.000 1.147 2452 T CB -0.824 68.169 68.868 0.208 0.000 0.865 2452 T HN 0.330 nan 8.240 nan 0.000 0.421 2453 F N 2.670 122.520 119.950 -0.167 0.000 2.147 2453 F HA -0.130 4.395 4.527 -0.003 0.000 0.301 2453 F C 2.278 177.904 175.800 -0.290 0.000 1.084 2453 F CA 0.904 58.759 58.000 -0.242 0.000 1.268 2453 F CB -0.868 37.991 39.000 -0.236 0.000 1.009 2453 F HN 0.142 nan 8.300 nan 0.000 0.486 2454 A N -0.394 122.103 122.820 -0.539 0.000 1.832 2454 A HA -0.188 4.131 4.320 -0.003 0.000 0.214 2454 A C 2.061 179.144 177.584 -0.834 0.000 1.200 2454 A CA 1.748 53.241 52.037 -0.908 0.000 0.610 2454 A CB -1.498 17.031 19.000 -0.786 0.000 0.842 2454 A HN 0.613 nan 8.150 nan 0.000 0.444 2455 H N -0.839 117.922 119.070 -0.515 0.000 2.489 2455 H HA 0.054 4.609 4.556 -0.003 0.000 0.293 2455 H C 2.296 177.365 175.328 -0.432 0.000 1.066 2455 H CA 0.598 56.413 56.048 -0.387 0.000 1.305 2455 H CB 0.091 29.581 29.762 -0.453 0.000 1.386 2455 H HN 0.561 nan 8.280 nan 0.000 0.551 2456 A N 0.219 122.817 122.820 -0.371 0.000 1.878 2456 A HA -0.061 4.257 4.320 -0.003 0.000 0.213 2456 A C 2.514 179.784 177.584 -0.523 0.000 1.192 2456 A CA 0.825 52.519 52.037 -0.572 0.000 0.619 2456 A CB -0.582 18.166 19.000 -0.421 0.000 0.837 2456 A HN 0.183 nan 8.150 nan 0.000 0.446 2457 V N -0.560 119.082 119.914 -0.453 0.000 2.255 2457 V HA -0.291 3.828 4.120 -0.003 0.000 0.247 2457 V C 2.334 178.362 176.094 -0.109 0.000 1.051 2457 V CA 2.190 64.284 62.300 -0.344 0.000 1.018 2457 V CB -1.078 30.387 31.823 -0.597 0.000 0.641 2457 V HN 0.628 nan 8.190 nan 0.000 0.445 2458 F N 0.329 120.151 119.950 -0.214 0.000 2.063 2458 F HA -0.326 4.199 4.527 -0.003 0.000 0.298 2458 F C 2.558 178.389 175.800 0.051 0.000 1.109 2458 F CA 1.215 59.183 58.000 -0.053 0.000 1.212 2458 F CB -0.510 38.399 39.000 -0.152 0.000 0.973 2458 F HN 0.188 nan 8.300 nan 0.000 0.480 2459 A N 0.123 122.945 122.820 0.004 0.000 1.883 2459 A HA -0.240 4.079 4.320 -0.003 0.000 0.217 2459 A C 1.981 179.719 177.584 0.257 0.000 1.186 2459 A CA 1.740 53.730 52.037 -0.079 0.000 0.624 2459 A CB -1.112 17.438 19.000 -0.750 0.000 0.822 2459 A HN 0.393 nan 8.150 nan 0.000 0.444 2460 L N -0.978 120.305 121.223 0.100 0.000 2.042 2460 L HA -0.131 4.207 4.340 -0.003 0.000 0.210 2460 L C 2.185 179.344 176.870 0.483 0.000 1.076 2460 L CA 1.921 56.990 54.840 0.382 0.000 0.749 2460 L CB -0.496 41.677 42.059 0.189 0.000 0.893 2460 L HN 0.305 nan 8.230 nan 0.000 0.432 2461 L N -1.570 119.893 121.223 0.400 0.000 2.275 2461 L HA -0.110 4.229 4.340 -0.003 0.000 0.215 2461 L C 1.740 178.903 176.870 0.488 0.000 1.119 2461 L CA 1.465 56.546 54.840 0.401 0.000 0.790 2461 L CB -0.540 41.734 42.059 0.357 0.000 0.919 2461 L HN 0.217 nan 8.230 nan 0.000 0.443 2462 F N -2.453 117.747 119.950 0.416 0.000 2.797 2462 F HA -0.016 4.510 4.527 -0.003 0.000 0.302 2462 F C 1.921 178.068 175.800 0.578 0.000 1.130 2462 F CA 0.050 58.310 58.000 0.433 0.000 1.387 2462 F CB -0.503 38.730 39.000 0.387 0.000 1.107 2462 F HN 0.092 nan 8.300 nan 0.000 0.577 2463 F N -0.472 119.909 119.950 0.717 0.000 2.163 2463 F HA -0.174 4.351 4.527 -0.003 0.000 0.297 2463 F C 2.257 178.232 175.800 0.292 0.000 1.094 2463 F CA 1.237 59.550 58.000 0.520 0.000 1.290 2463 F CB -0.754 38.646 39.000 0.666 0.000 1.017 2463 F HN -0.001 nan 8.300 nan 0.000 0.483 2464 F N 1.209 121.241 119.950 0.135 0.000 2.075 2464 F HA 0.006 4.532 4.527 -0.002 0.000 0.297 2464 F C 2.480 178.194 175.800 -0.144 0.000 1.113 2464 F CA 1.865 59.806 58.000 -0.097 0.000 1.218 2464 F CB -1.201 37.776 39.000 -0.038 0.000 0.984 2464 F HN 0.009 nan 8.300 nan 0.000 0.472 2465 G N -1.444 107.315 108.800 -0.068 0.000 2.475 2465 G HA2 -0.395 3.564 3.960 -0.003 0.000 0.220 2465 G HA3 -0.395 3.564 3.960 -0.003 0.000 0.220 2465 G C 1.526 176.362 174.900 -0.107 0.000 1.125 2465 G CA 1.395 46.389 45.100 -0.177 0.000 0.755 2465 G HN 0.569 nan 8.290 nan 0.000 0.565 2466 H N 0.557 119.534 119.070 -0.156 0.000 2.363 2466 H HA 0.153 4.708 4.556 -0.003 0.000 0.301 2466 H C 2.361 177.511 175.328 -0.296 0.000 1.074 2466 H CA 1.204 57.135 56.048 -0.195 0.000 1.354 2466 H CB -0.232 29.362 29.762 -0.280 0.000 1.397 2466 H HN 0.335 nan 8.280 nan 0.000 0.516 2467 I N -0.397 119.719 120.570 -0.757 0.000 2.500 2467 I HA -0.188 3.980 4.170 -0.003 0.000 0.252 2467 I C 2.439 178.221 176.117 -0.559 0.000 1.142 2467 I CA 0.628 61.465 61.300 -0.772 0.000 1.451 2467 I CB -0.354 37.215 38.000 -0.720 0.000 1.093 2467 I HN 0.462 nan 8.210 nan 0.000 0.430 2468 W N 2.172 122.960 121.300 -0.854 0.000 2.381 2468 W HA -0.229 4.430 4.660 -0.001 0.000 0.323 2468 W C 2.557 178.712 176.519 -0.607 0.000 1.194 2468 W CA 1.421 58.245 57.345 -0.870 0.000 1.296 2468 W CB -0.498 28.245 29.460 -1.195 0.000 1.175 2468 W HN 0.160 nan 8.180 nan 0.000 0.465 2469 H N 0.158 118.980 119.070 -0.414 0.000 2.457 2469 H HA -0.089 4.466 4.556 -0.002 0.000 0.297 2469 H C 2.350 177.443 175.328 -0.391 0.000 1.092 2469 H CA 1.467 57.236 56.048 -0.465 0.000 1.309 2469 H CB -1.125 28.517 29.762 -0.199 0.000 1.382 2469 H HN 0.317 nan 8.280 nan 0.000 0.535 2470 G N 0.537 109.158 108.800 -0.298 0.000 2.556 2470 G HA2 -0.184 3.775 3.960 -0.003 0.000 0.215 2470 G HA3 -0.184 3.775 3.960 -0.003 0.000 0.215 2470 G C 2.020 176.759 174.900 -0.269 0.000 1.258 2470 G CA 1.479 46.419 45.100 -0.268 0.000 0.811 2470 G HN 0.497 nan 8.290 nan 0.000 0.557 2471 A N 0.440 123.029 122.820 -0.384 0.000 1.917 2471 A HA -0.145 4.173 4.320 -0.003 0.000 0.219 2471 A C 2.344 179.666 177.584 -0.436 0.000 1.182 2471 A CA 2.096 53.855 52.037 -0.462 0.000 0.633 2471 A CB -0.523 18.089 19.000 -0.646 0.000 0.819 2471 A HN 0.369 nan 8.150 nan 0.000 0.448 2472 R N -0.932 119.223 120.500 -0.575 0.000 2.193 2472 R HA -0.100 4.239 4.340 -0.003 0.000 0.229 2472 R C 1.779 177.980 176.300 -0.164 0.000 1.110 2472 R CA 1.720 57.529 56.100 -0.484 0.000 0.988 2472 R CB -0.375 29.411 30.300 -0.857 0.000 0.871 2472 R HN 0.555 nan 8.270 nan 0.000 0.458 2473 T N 1.007 115.476 114.554 -0.143 0.000 2.809 2473 T HA 0.012 4.360 4.350 -0.003 0.000 0.260 2473 T C 1.524 176.233 174.700 0.015 0.000 1.039 2473 T CA 0.837 62.899 62.100 -0.063 0.000 1.141 2473 T CB 0.033 68.858 68.868 -0.072 0.000 0.869 2473 T HN 0.195 nan 8.240 nan 0.000 0.437 2474 L N -0.019 121.264 121.223 0.099 0.000 2.627 2474 L HA 0.230 4.568 4.340 -0.003 0.000 0.233 2474 L C 0.273 177.295 176.870 0.253 0.000 1.144 2474 L CA 0.451 55.391 54.840 0.167 0.000 0.892 2474 L CB -0.180 41.994 42.059 0.192 0.000 1.039 2474 L HN 0.184 nan 8.230 nan 0.000 0.442 2475 F N -1.084 118.821 119.950 -0.075 0.000 2.835 2475 F HA 0.299 4.824 4.527 -0.002 0.000 0.342 2475 F C 1.707 177.505 175.800 -0.003 0.000 1.202 2475 F CA -0.940 57.034 58.000 -0.043 0.000 1.240 2475 F CB -0.272 38.694 39.000 -0.056 0.000 1.005 2475 F HN -0.165 nan 8.300 nan 0.000 0.507 2476 R N 0.716 121.286 120.500 0.115 0.000 2.196 2476 R HA -0.238 4.100 4.340 -0.003 0.000 0.244 2476 R C 1.360 177.701 176.300 0.070 0.000 1.121 2476 R CA 2.509 58.636 56.100 0.046 0.000 0.930 2476 R CB -0.359 29.924 30.300 -0.027 0.000 0.890 2476 R HN 0.283 nan 8.270 nan 0.000 0.435 2477 D N -0.202 120.222 120.400 0.040 0.000 2.218 2477 D HA -0.109 4.530 4.640 -0.003 0.000 0.204 2477 D C 1.946 178.304 176.300 0.097 0.000 0.976 2477 D CA 1.025 55.048 54.000 0.040 0.000 0.853 2477 D CB -0.137 40.663 40.800 -0.001 0.000 0.939 2477 D HN 0.140 nan 8.370 nan 0.000 0.481 2478 V N 1.022 121.025 119.914 0.150 0.000 2.379 2478 V HA -0.175 3.944 4.120 -0.003 0.000 0.245 2478 V C 2.141 178.372 176.094 0.229 0.000 1.044 2478 V CA 1.002 63.420 62.300 0.197 0.000 1.036 2478 V CB -0.652 31.386 31.823 0.360 0.000 0.664 2478 V HN 0.129 nan 8.190 nan 0.000 0.453 2479 F N 0.929 120.910 119.950 0.051 0.000 2.043 2479 F HA -0.285 4.241 4.527 -0.002 0.000 0.297 2479 F C 2.698 178.507 175.800 0.015 0.000 1.121 2479 F CA 1.841 59.843 58.000 0.004 0.000 1.199 2479 F CB -0.151 38.825 39.000 -0.040 0.000 0.968 2479 F HN 0.160 nan 8.300 nan 0.000 0.478 2480 S N 0.176 116.109 115.700 0.387 0.000 2.500 2480 S HA 0.171 4.639 4.470 -0.003 0.000 0.239 2480 S C 0.614 175.318 174.600 0.173 0.000 0.989 2480 S CA 0.867 59.197 58.200 0.216 0.000 0.951 2480 S CB -1.258 61.975 63.200 0.055 0.000 0.759 2480 S HN 0.974 nan 8.310 nan 0.000 0.523 2481 G N 0.000 108.901 108.800 0.168 0.000 5.446 2481 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 2481 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 2481 G CA 0.000 45.164 45.100 0.107 0.000 0.502 2481 G HN 0.000 nan 8.290 nan 0.000 0.925