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 1fws_1_B DATA FIRST_RESID 2002 DATA SEQUENCE EKFLVIAGPC AIESEELLLK VGEEIKRLSE KFKEVEFVFK SSFDKANRSS DATA SEQUENCE IHSFRGHGLE YGVKALRKVK EEFGLKITTD IHESWQAEPV AEVADIIQIP DATA SEQUENCE AFLCRQTDLL LAAAKTGRAV NVKKGQFLAP WDTKNVVEKL KFGGAKEIYL DATA SEQUENCE TERGTTFGYN NLVVDFRSLP IMKQWAKVIY DATHSVQLPG XXXXXXXGMR DATA SEQUENCE EFIFPLIRAA VAVGCDGVFM ETHPEPEKAL SDASTQLPLS QLEGIIEAIL DATA SEQUENCE EIREVASKYY ETI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2002 E HA 0.000 nan 4.350 nan 0.000 0.291 2002 E C 0.000 176.656 176.600 0.094 0.000 1.382 2002 E CA 0.000 56.446 56.400 0.076 0.000 0.976 2002 E CB 0.000 29.749 29.700 0.082 0.000 0.812 2003 K N 0.096 120.556 120.400 0.100 0.000 2.139 2003 K HA 0.552 4.872 4.320 0.001 0.000 0.243 2003 K C -0.040 176.648 176.600 0.147 0.000 0.983 2003 K CA -0.679 55.684 56.287 0.127 0.000 0.890 2003 K CB 1.139 33.708 32.500 0.115 0.000 1.090 2003 K HN 0.385 nan 8.250 nan 0.000 0.445 2004 F N 1.658 121.615 119.950 0.011 0.000 2.608 2004 F HA 0.026 4.553 4.527 0.001 0.000 0.380 2004 F C -0.209 175.545 175.800 -0.076 0.000 1.083 2004 F CA -0.472 57.518 58.000 -0.017 0.000 1.266 2004 F CB 0.444 39.424 39.000 -0.034 0.000 1.076 2004 F HN 0.401 nan 8.300 nan 0.000 0.574 2005 L N 6.826 127.676 121.223 -0.620 0.000 2.307 2005 L HA 0.535 4.875 4.340 0.001 0.000 0.282 2005 L C -1.147 175.311 176.870 -0.686 0.000 1.051 2005 L CA -0.396 54.136 54.840 -0.513 0.000 0.804 2005 L CB 1.499 43.334 42.059 -0.373 0.000 1.197 2005 L HN 0.376 nan 8.230 nan 0.000 0.431 2006 V N 6.817 126.416 119.914 -0.525 0.000 2.380 2006 V HA 0.401 4.522 4.120 0.001 0.000 0.286 2006 V C -0.132 175.784 176.094 -0.297 0.000 1.015 2006 V CA -0.423 61.599 62.300 -0.463 0.000 0.834 2006 V CB 1.352 32.769 31.823 -0.677 0.000 1.009 2006 V HN 0.550 nan 8.190 nan 0.000 0.428 2007 I N 4.615 125.038 120.570 -0.245 0.000 2.304 2007 I HA 0.774 4.945 4.170 0.001 0.000 0.291 2007 I C 0.404 176.297 176.117 -0.374 0.000 1.018 2007 I CA -0.004 61.151 61.300 -0.241 0.000 1.260 2007 I CB 1.364 39.254 38.000 -0.183 0.000 1.390 2007 I HN 0.684 nan 8.210 nan 0.000 0.475 2008 A N 4.673 127.303 122.820 -0.318 0.000 2.587 2008 A HA 1.011 5.331 4.320 0.001 0.000 0.293 2008 A C -0.377 176.900 177.584 -0.512 0.000 1.087 2008 A CA -0.278 51.529 52.037 -0.383 0.000 0.692 2008 A CB 2.027 20.930 19.000 -0.161 0.000 1.291 2008 A HN 0.895 nan 8.150 nan 0.000 0.407 2009 G N -0.202 108.283 108.800 -0.526 0.000 2.337 2009 G HA2 0.504 4.465 3.960 0.001 0.000 0.298 2009 G HA3 0.504 4.465 3.960 0.001 0.000 0.298 2009 G C -3.576 171.093 174.900 -0.385 0.000 1.335 2009 G CA -0.257 44.435 45.100 -0.681 0.000 0.875 2009 G HN 0.718 nan 8.290 nan 0.000 0.579 2010 P HA 0.244 nan 4.420 nan 0.000 0.275 2010 P C 1.353 178.647 177.300 -0.010 0.000 1.227 2010 P CA -0.002 63.070 63.100 -0.046 0.000 0.781 2010 P CB 1.664 33.383 31.700 0.032 0.000 0.906 2011 C N 3.465 122.795 119.300 0.051 0.000 2.367 2011 C HA -0.064 4.397 4.460 0.001 0.000 0.276 2011 C C 1.311 176.385 174.990 0.139 0.000 1.195 2011 C CA 1.857 60.931 59.018 0.095 0.000 1.756 2011 C CB -1.364 26.445 27.740 0.114 0.000 2.046 2011 C HN 0.706 nan 8.230 nan 0.000 0.453 2012 A N -0.720 122.220 122.820 0.200 0.000 2.354 2012 A HA 0.712 5.032 4.320 0.001 0.000 0.321 2012 A C -0.365 177.414 177.584 0.326 0.000 1.125 2012 A CA -0.610 51.596 52.037 0.282 0.000 0.799 2012 A CB 0.481 19.744 19.000 0.439 0.000 1.293 2012 A HN 0.455 nan 8.150 nan 0.000 0.452 2013 I N 2.189 122.989 120.570 0.384 0.000 2.270 2013 I HA 0.041 4.211 4.170 0.001 0.000 0.300 2013 I C 0.790 177.222 176.117 0.524 0.000 1.186 2013 I CA 0.232 61.784 61.300 0.420 0.000 1.431 2013 I CB -0.157 38.116 38.000 0.455 0.000 1.485 2013 I HN 0.836 nan 8.210 nan 0.000 0.650 2014 E N 3.062 123.493 120.200 0.386 0.000 2.268 2014 E HA -0.079 4.272 4.350 0.001 0.000 0.195 2014 E C 0.340 177.110 176.600 0.283 0.000 0.995 2014 E CA 0.486 57.060 56.400 0.291 0.000 0.836 2014 E CB 0.072 29.809 29.700 0.061 0.000 0.763 2014 E HN 0.709 nan 8.360 nan 0.000 0.491 2015 S N -0.745 115.111 115.700 0.260 0.000 2.678 2015 S HA 0.009 4.480 4.470 0.001 0.000 0.290 2015 S C 0.206 174.953 174.600 0.244 0.000 1.047 2015 S CA -0.674 57.654 58.200 0.214 0.000 0.851 2015 S CB 0.927 64.185 63.200 0.098 0.000 1.058 2015 S HN 0.217 nan 8.310 nan 0.000 0.451 2016 E N 0.945 121.284 120.200 0.232 0.000 2.338 2016 E HA -0.149 4.202 4.350 0.001 0.000 0.197 2016 E C 1.357 177.996 176.600 0.064 0.000 1.007 2016 E CA 1.126 57.574 56.400 0.080 0.000 0.849 2016 E CB -0.134 29.512 29.700 -0.090 0.000 0.774 2016 E HN 0.769 nan 8.360 nan 0.000 0.506 2017 E N 0.773 121.017 120.200 0.073 0.000 2.031 2017 E HA -0.225 4.126 4.350 0.001 0.000 0.193 2017 E C 2.107 178.737 176.600 0.050 0.000 0.994 2017 E CA 1.166 57.596 56.400 0.049 0.000 0.800 2017 E CB -0.108 29.618 29.700 0.043 0.000 0.752 2017 E HN 0.374 nan 8.360 nan 0.000 0.447 2018 L N 1.132 122.389 121.223 0.057 0.000 2.042 2018 L HA -0.180 4.161 4.340 0.001 0.000 0.210 2018 L C 2.189 179.102 176.870 0.073 0.000 1.076 2018 L CA 1.586 56.440 54.840 0.024 0.000 0.749 2018 L CB -0.391 41.677 42.059 0.015 0.000 0.893 2018 L HN 0.247 nan 8.230 nan 0.000 0.432 2019 L N -1.301 120.007 121.223 0.142 0.000 2.083 2019 L HA -0.236 4.105 4.340 0.001 0.000 0.209 2019 L C 2.551 179.477 176.870 0.094 0.000 1.083 2019 L CA 1.280 56.256 54.840 0.226 0.000 0.752 2019 L CB -0.714 41.456 42.059 0.186 0.000 0.899 2019 L HN 0.345 nan 8.230 nan 0.000 0.433 2020 L N -0.134 121.137 121.223 0.080 0.000 2.056 2020 L HA -0.210 4.131 4.340 0.001 0.000 0.207 2020 L C 2.732 179.668 176.870 0.111 0.000 1.078 2020 L CA 1.278 56.212 54.840 0.158 0.000 0.749 2020 L CB -0.491 41.641 42.059 0.122 0.000 0.901 2020 L HN 0.262 nan 8.230 nan 0.000 0.433 2021 K N 0.195 120.626 120.400 0.051 0.000 2.026 2021 K HA -0.155 4.166 4.320 0.001 0.000 0.208 2021 K C 1.998 178.574 176.600 -0.039 0.000 1.048 2021 K CA 1.452 57.740 56.287 0.001 0.000 0.929 2021 K CB 0.035 32.525 32.500 -0.017 0.000 0.713 2021 K HN 0.064 nan 8.250 nan 0.000 0.439 2022 V N 0.506 120.426 119.914 0.009 0.000 2.427 2022 V HA -0.138 3.983 4.120 0.001 0.000 0.248 2022 V C 2.366 178.483 176.094 0.038 0.000 1.051 2022 V CA 2.016 64.341 62.300 0.043 0.000 1.048 2022 V CB -0.737 31.162 31.823 0.126 0.000 0.666 2022 V HN 0.593 nan 8.190 nan 0.000 0.456 2023 G N -0.449 108.340 108.800 -0.019 0.000 2.422 2023 G HA2 -0.300 3.660 3.960 0.001 0.000 0.218 2023 G HA3 -0.300 3.660 3.960 0.001 0.000 0.218 2023 G C 1.509 175.810 174.900 -0.999 0.000 1.146 2023 G CA 0.981 45.832 45.100 -0.415 0.000 0.769 2023 G HN 0.597 nan 8.290 nan 0.000 0.547 2024 E N 0.184 119.839 120.200 -0.909 0.000 2.077 2024 E HA -0.181 4.169 4.350 0.001 0.000 0.193 2024 E C 2.272 178.612 176.600 -0.434 0.000 0.989 2024 E CA 1.413 57.342 56.400 -0.785 0.000 0.800 2024 E CB -0.123 29.421 29.700 -0.260 0.000 0.746 2024 E HN 0.398 nan 8.360 nan 0.000 0.452 2025 E N 0.783 120.817 120.200 -0.277 0.000 2.072 2025 E HA -0.118 4.232 4.350 0.001 0.000 0.191 2025 E C 1.928 178.397 176.600 -0.219 0.000 0.985 2025 E CA 1.193 57.481 56.400 -0.186 0.000 0.801 2025 E CB -0.251 29.382 29.700 -0.111 0.000 0.750 2025 E HN 0.423 nan 8.360 nan 0.000 0.452 2026 I N 0.251 120.684 120.570 -0.229 0.000 2.394 2026 I HA -0.207 3.964 4.170 0.001 0.000 0.251 2026 I C 2.187 178.057 176.117 -0.411 0.000 1.136 2026 I CA 0.966 62.107 61.300 -0.266 0.000 1.425 2026 I CB -0.222 37.743 38.000 -0.059 0.000 1.079 2026 I HN 0.080 nan 8.210 nan 0.000 0.425 2027 K N 1.620 121.783 120.400 -0.395 0.000 2.026 2027 K HA -0.195 4.126 4.320 0.001 0.000 0.208 2027 K C 2.190 178.628 176.600 -0.269 0.000 1.048 2027 K CA 1.522 57.614 56.287 -0.326 0.000 0.929 2027 K CB -0.322 31.946 32.500 -0.385 0.000 0.713 2027 K HN 0.075 nan 8.250 nan 0.000 0.439 2028 R N -0.260 120.087 120.500 -0.255 0.000 2.080 2028 R HA -0.121 4.220 4.340 0.001 0.000 0.236 2028 R C 1.959 178.120 176.300 -0.231 0.000 1.137 2028 R CA 1.686 57.669 56.100 -0.195 0.000 0.943 2028 R CB -0.423 29.782 30.300 -0.157 0.000 0.846 2028 R HN 0.154 nan 8.270 nan 0.000 0.431 2029 L N 0.713 121.772 121.223 -0.274 0.000 2.127 2029 L HA -0.137 4.203 4.340 0.001 0.000 0.211 2029 L C 2.526 179.187 176.870 -0.348 0.000 1.089 2029 L CA 1.796 56.498 54.840 -0.230 0.000 0.757 2029 L CB -1.063 40.913 42.059 -0.138 0.000 0.899 2029 L HN 0.234 nan 8.230 nan 0.000 0.434 2030 S N -0.947 114.365 115.700 -0.647 0.000 2.382 2030 S HA -0.168 4.303 4.470 0.001 0.000 0.228 2030 S C 1.847 176.407 174.600 -0.068 0.000 1.027 2030 S CA 1.147 59.095 58.200 -0.420 0.000 0.991 2030 S CB -0.057 62.952 63.200 -0.317 0.000 0.823 2030 S HN 0.442 nan 8.310 nan 0.000 0.469 2031 E N 0.697 120.823 120.200 -0.124 0.000 2.285 2031 E HA 0.011 4.362 4.350 0.001 0.000 0.194 2031 E C 1.883 178.414 176.600 -0.115 0.000 0.997 2031 E CA 0.535 56.888 56.400 -0.078 0.000 0.845 2031 E CB -0.130 29.520 29.700 -0.083 0.000 0.782 2031 E HN 0.600 nan 8.360 nan 0.000 0.491 2032 K N -0.257 120.006 120.400 -0.229 0.000 2.137 2032 K HA 0.027 4.348 4.320 0.001 0.000 0.202 2032 K C 0.087 176.391 176.600 -0.493 0.000 1.052 2032 K CA 0.409 56.428 56.287 -0.447 0.000 0.961 2032 K CB 0.254 32.313 32.500 -0.735 0.000 0.741 2032 K HN -0.073 nan 8.250 nan 0.000 0.452 2033 F N 1.718 121.745 119.950 0.128 0.000 2.366 2033 F HA 0.309 4.837 4.527 0.001 0.000 0.328 2033 F C 0.602 176.531 175.800 0.214 0.000 1.180 2033 F CA -0.920 57.197 58.000 0.194 0.000 1.232 2033 F CB 1.241 40.425 39.000 0.305 0.000 1.513 2033 F HN -0.237 nan 8.300 nan 0.000 0.540 2034 K N 0.452 120.995 120.400 0.239 0.000 2.360 2034 K HA -0.176 4.145 4.320 0.001 0.000 0.201 2034 K C 1.564 178.280 176.600 0.194 0.000 1.046 2034 K CA 0.887 57.287 56.287 0.189 0.000 0.940 2034 K CB 0.118 32.684 32.500 0.110 0.000 0.748 2034 K HN 0.430 nan 8.250 nan 0.000 0.465 2035 E N 0.361 120.687 120.200 0.211 0.000 2.481 2035 E HA 0.007 4.358 4.350 0.001 0.000 0.195 2035 E C -0.409 176.293 176.600 0.170 0.000 1.047 2035 E CA 0.037 56.536 56.400 0.165 0.000 0.867 2035 E CB 0.427 30.212 29.700 0.141 0.000 0.858 2035 E HN -0.146 nan 8.360 nan 0.000 0.513 2036 V N 1.262 121.302 119.914 0.210 0.000 2.483 2036 V HA 0.245 4.366 4.120 0.001 0.000 0.295 2036 V C -0.101 176.040 176.094 0.079 0.000 1.035 2036 V CA -0.827 61.532 62.300 0.097 0.000 0.896 2036 V CB 1.705 33.495 31.823 -0.054 0.000 0.986 2036 V HN 0.045 nan 8.190 nan 0.000 0.447 2037 E N 3.605 123.788 120.200 -0.028 0.000 2.081 2037 E HA 0.376 4.726 4.350 0.001 0.000 0.281 2037 E C -1.402 175.146 176.600 -0.087 0.000 0.986 2037 E CA -0.448 55.968 56.400 0.026 0.000 0.796 2037 E CB 0.570 30.282 29.700 0.021 0.000 1.085 2037 E HN 0.503 nan 8.360 nan 0.000 0.398 2038 F N 3.012 122.989 119.950 0.044 0.000 2.385 2038 F HA 0.333 4.860 4.527 0.001 0.000 0.336 2038 F C 0.003 175.816 175.800 0.021 0.000 1.100 2038 F CA -0.515 57.500 58.000 0.025 0.000 1.116 2038 F CB 1.496 40.528 39.000 0.054 0.000 1.166 2038 F HN 0.138 nan 8.300 nan 0.000 0.511 2039 V N 4.292 124.300 119.914 0.157 0.000 2.569 2039 V HA 0.215 4.336 4.120 0.001 0.000 0.301 2039 V C -0.835 175.326 176.094 0.112 0.000 1.044 2039 V CA -1.040 61.325 62.300 0.108 0.000 0.874 2039 V CB 1.642 33.463 31.823 -0.004 0.000 1.002 2039 V HN 0.543 nan 8.190 nan 0.000 0.424 2040 F N 5.810 125.778 119.950 0.031 0.000 2.467 2040 F HA 0.525 5.053 4.527 0.001 0.000 0.362 2040 F C 0.282 176.078 175.800 -0.007 0.000 1.090 2040 F CA 0.301 58.306 58.000 0.007 0.000 1.202 2040 F CB 0.489 39.505 39.000 0.027 0.000 1.113 2040 F HN 0.389 nan 8.300 nan 0.000 0.541 2041 K N 4.672 124.734 120.400 -0.562 0.000 2.316 2041 K HA 0.604 4.925 4.320 0.001 0.000 0.251 2041 K C -1.656 174.716 176.600 -0.379 0.000 0.934 2041 K CA -0.477 55.618 56.287 -0.319 0.000 0.802 2041 K CB 1.865 34.187 32.500 -0.297 0.000 1.171 2041 K HN 0.675 nan 8.250 nan 0.000 0.426 2042 S N 1.252 116.921 115.700 -0.050 0.000 2.579 2042 S HA 0.291 4.762 4.470 0.001 0.000 0.290 2042 S C -1.707 172.976 174.600 0.139 0.000 1.123 2042 S CA -0.538 57.694 58.200 0.052 0.000 0.894 2042 S CB 0.963 64.264 63.200 0.168 0.000 1.095 2042 S HN 0.513 nan 8.310 nan 0.000 0.450 2043 S N 3.511 119.281 115.700 0.116 0.000 2.513 2043 S HA 0.357 4.828 4.470 0.001 0.000 0.276 2043 S C 0.839 175.502 174.600 0.106 0.000 1.254 2043 S CA -0.570 57.655 58.200 0.040 0.000 1.053 2043 S CB 0.257 63.451 63.200 -0.009 0.000 0.958 2043 S HN 0.695 nan 8.310 nan 0.000 0.491 2044 F N 0.427 120.481 119.950 0.174 0.000 2.710 2044 F HA 0.436 4.963 4.527 0.001 0.000 0.298 2044 F C 0.370 176.236 175.800 0.110 0.000 1.137 2044 F CA -0.378 57.729 58.000 0.178 0.000 1.444 2044 F CB -0.042 39.059 39.000 0.168 0.000 1.111 2044 F HN 0.446 nan 8.300 nan 0.000 0.580 2045 D N 0.302 120.531 120.400 -0.285 0.000 2.931 2045 D HA 0.215 4.856 4.640 0.001 0.000 0.215 2045 D C -1.488 174.598 176.300 -0.356 0.000 1.297 2045 D CA -0.595 53.244 54.000 -0.267 0.000 0.892 2045 D CB 1.225 41.904 40.800 -0.201 0.000 1.642 2045 D HN -0.173 nan 8.370 nan 0.000 0.560 2046 K N 3.006 123.231 120.400 -0.292 0.000 2.231 2046 K HA 0.515 4.836 4.320 0.001 0.000 0.255 2046 K C 0.443 176.872 176.600 -0.286 0.000 1.108 2046 K CA -0.340 55.813 56.287 -0.224 0.000 0.997 2046 K CB 0.882 33.315 32.500 -0.112 0.000 1.549 2046 K HN 0.457 nan 8.250 nan 0.000 0.419 2047 A N 2.604 125.145 122.820 -0.466 0.000 2.235 2047 A HA -0.088 4.233 4.320 0.001 0.000 0.208 2047 A C 0.970 178.454 177.584 -0.167 0.000 1.172 2047 A CA 0.645 52.440 52.037 -0.403 0.000 0.786 2047 A CB -0.603 17.955 19.000 -0.737 0.000 0.804 2047 A HN 0.807 nan 8.150 nan 0.000 0.479 2048 N N -1.410 117.236 118.700 -0.090 0.000 2.365 2048 N HA 0.127 4.868 4.740 0.001 0.000 0.257 2048 N C -0.324 175.221 175.510 0.059 0.000 1.287 2048 N CA -0.749 52.328 53.050 0.044 0.000 0.882 2048 N CB 0.503 39.094 38.487 0.173 0.000 1.250 2048 N HN -0.060 nan 8.380 nan 0.000 0.507 2049 R N 0.611 121.112 120.500 0.002 0.000 2.734 2049 R HA 0.090 4.431 4.340 0.001 0.000 0.266 2049 R C 0.937 177.256 176.300 0.032 0.000 1.044 2049 R CA 0.059 56.171 56.100 0.021 0.000 1.128 2049 R CB 0.549 30.849 30.300 0.000 0.000 1.010 2049 R HN 0.200 nan 8.270 nan 0.000 0.461 2050 S N 0.459 116.186 115.700 0.044 0.000 2.355 2050 S HA -0.100 4.371 4.470 0.001 0.000 0.222 2050 S C 1.054 175.655 174.600 0.003 0.000 1.031 2050 S CA 1.089 59.309 58.200 0.033 0.000 0.993 2050 S CB 0.018 63.245 63.200 0.044 0.000 0.859 2050 S HN 0.654 nan 8.310 nan 0.000 0.453 2051 S N 0.084 115.786 115.700 0.003 0.000 2.541 2051 S HA 0.371 4.841 4.470 0.001 0.000 0.283 2051 S C 0.728 175.284 174.600 -0.074 0.000 1.196 2051 S CA -0.703 57.480 58.200 -0.027 0.000 1.062 2051 S CB 0.948 64.161 63.200 0.023 0.000 1.009 2051 S HN 0.173 nan 8.310 nan 0.000 0.502 2052 I N 4.038 124.496 120.570 -0.187 0.000 2.614 2052 I HA -0.016 4.155 4.170 0.001 0.000 0.258 2052 I C 1.291 177.272 176.117 -0.226 0.000 1.189 2052 I CA 1.752 62.906 61.300 -0.243 0.000 1.462 2052 I CB -0.336 37.453 38.000 -0.352 0.000 1.092 2052 I HN 0.849 nan 8.210 nan 0.000 0.442 2053 H N -1.235 117.840 119.070 0.008 0.000 2.539 2053 H HA 0.307 4.864 4.556 0.001 0.000 0.269 2053 H C 0.968 176.315 175.328 0.032 0.000 0.980 2053 H CA -0.183 55.875 56.048 0.016 0.000 1.152 2053 H CB 0.115 29.887 29.762 0.017 0.000 1.407 2053 H HN 0.168 nan 8.280 nan 0.000 0.564 2054 S N 0.449 116.214 115.700 0.108 0.000 2.652 2054 S HA 0.105 4.576 4.470 0.001 0.000 0.270 2054 S C -0.282 174.388 174.600 0.118 0.000 1.243 2054 S CA -0.799 57.469 58.200 0.114 0.000 0.999 2054 S CB 0.766 64.016 63.200 0.084 0.000 0.973 2054 S HN 0.234 nan 8.310 nan 0.000 0.544 2055 F N 1.866 121.817 119.950 0.002 0.000 2.538 2055 F HA 0.195 4.723 4.527 0.001 0.000 0.371 2055 F C 1.282 177.063 175.800 -0.031 0.000 1.087 2055 F CA 0.271 58.258 58.000 -0.021 0.000 1.250 2055 F CB 0.382 39.373 39.000 -0.014 0.000 1.110 2055 F HN 0.556 nan 8.300 nan 0.000 0.570 2056 R N 3.076 123.068 120.500 -0.847 0.000 2.167 2056 R HA 0.481 4.822 4.340 0.001 0.000 0.195 2056 R C 0.516 176.210 176.300 -1.010 0.000 1.027 2056 R CA 0.173 55.858 56.100 -0.690 0.000 1.114 2056 R CB 0.277 30.348 30.300 -0.382 0.000 1.075 2056 R HN 0.882 nan 8.270 nan 0.000 0.538 2057 G N -0.641 107.330 108.800 -1.382 0.000 2.362 2057 G HA2 -0.061 3.900 3.960 0.001 0.000 0.288 2057 G HA3 -0.061 3.900 3.960 0.001 0.000 0.288 2057 G C -1.187 173.403 174.900 -0.517 0.000 1.305 2057 G CA -0.847 43.742 45.100 -0.851 0.000 0.910 2057 G HN 0.294 nan 8.290 nan 0.000 0.518 2058 H N 0.166 119.227 119.070 -0.015 0.000 2.520 2058 H HA 0.513 5.070 4.556 0.001 0.000 0.284 2058 H C 1.173 176.534 175.328 0.055 0.000 1.037 2058 H CA 1.107 57.116 56.048 -0.065 0.000 1.168 2058 H CB 0.559 30.070 29.762 -0.418 0.000 1.497 2058 H HN 1.734 nan 8.280 nan 0.000 0.547 2059 G N 0.086 109.006 108.800 0.199 0.000 2.662 2059 G HA2 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G HA3 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G C 0.183 175.238 174.900 0.259 0.000 1.271 2059 G CA -0.306 44.933 45.100 0.231 0.000 0.816 2059 G HN 0.201 nan 8.290 nan 0.000 0.608 2060 L N 0.380 121.670 121.223 0.113 0.000 2.056 2060 L HA 0.127 4.468 4.340 0.001 0.000 0.207 2060 L C 2.507 179.280 176.870 -0.161 0.000 1.078 2060 L CA 3.014 57.657 54.840 -0.329 0.000 0.749 2060 L CB -0.766 41.044 42.059 -0.414 0.000 0.901 2060 L HN 0.802 nan 8.230 nan 0.000 0.433 2061 E N -1.463 118.745 120.200 0.014 0.000 2.031 2061 E HA -0.299 4.052 4.350 0.001 0.000 0.193 2061 E C 2.138 178.787 176.600 0.082 0.000 0.994 2061 E CA 1.785 58.208 56.400 0.039 0.000 0.800 2061 E CB -0.457 29.288 29.700 0.075 0.000 0.752 2061 E HN 0.619 nan 8.360 nan 0.000 0.447 2062 Y N 1.110 121.441 120.300 0.050 0.000 2.207 2062 Y HA -0.199 4.352 4.550 0.001 0.000 0.287 2062 Y C 2.216 178.167 175.900 0.085 0.000 1.156 2062 Y CA 1.816 59.960 58.100 0.072 0.000 1.182 2062 Y CB -0.492 38.042 38.460 0.123 0.000 0.979 2062 Y HN 0.012 nan 8.280 nan 0.000 0.521 2063 G N -0.530 108.458 108.800 0.314 0.000 2.433 2063 G HA2 -0.246 3.715 3.960 0.001 0.000 0.216 2063 G HA3 -0.246 3.715 3.960 0.001 0.000 0.216 2063 G C 1.660 176.618 174.900 0.096 0.000 1.186 2063 G CA 1.366 46.633 45.100 0.279 0.000 0.779 2063 G HN 0.342 nan 8.290 nan 0.000 0.543 2064 V N 1.030 120.938 119.914 -0.010 0.000 2.469 2064 V HA -0.171 3.949 4.120 0.001 0.000 0.251 2064 V C 2.666 178.733 176.094 -0.045 0.000 1.064 2064 V CA 2.252 64.531 62.300 -0.035 0.000 1.066 2064 V CB -0.374 31.396 31.823 -0.088 0.000 0.667 2064 V HN 0.475 nan 8.190 nan 0.000 0.461 2065 K N 0.426 120.774 120.400 -0.086 0.000 2.057 2065 K HA -0.141 4.179 4.320 0.001 0.000 0.206 2065 K C 2.212 178.714 176.600 -0.163 0.000 1.050 2065 K CA 1.491 57.699 56.287 -0.131 0.000 0.935 2065 K CB -0.305 32.087 32.500 -0.180 0.000 0.715 2065 K HN 0.405 nan 8.250 nan 0.000 0.439 2066 A N 1.472 124.165 122.820 -0.212 0.000 1.902 2066 A HA -0.103 4.217 4.320 0.001 0.000 0.217 2066 A C 2.126 179.666 177.584 -0.074 0.000 1.181 2066 A CA 1.240 53.174 52.037 -0.173 0.000 0.623 2066 A CB -0.596 18.319 19.000 -0.142 0.000 0.818 2066 A HN 0.331 nan 8.150 nan 0.000 0.443 2067 L N -1.205 120.014 121.223 -0.007 0.000 2.141 2067 L HA -0.162 4.179 4.340 0.001 0.000 0.209 2067 L C 2.863 179.713 176.870 -0.033 0.000 1.094 2067 L CA 1.091 55.944 54.840 0.021 0.000 0.763 2067 L CB -0.496 41.626 42.059 0.105 0.000 0.908 2067 L HN 0.364 nan 8.230 nan 0.000 0.437 2068 R N 0.294 120.766 120.500 -0.046 0.000 2.073 2068 R HA -0.205 4.136 4.340 0.001 0.000 0.234 2068 R C 2.334 178.580 176.300 -0.090 0.000 1.134 2068 R CA 1.420 57.485 56.100 -0.057 0.000 0.952 2068 R CB -0.246 30.017 30.300 -0.060 0.000 0.850 2068 R HN 0.083 nan 8.270 nan 0.000 0.433 2069 K N 0.813 121.145 120.400 -0.115 0.000 2.103 2069 K HA -0.116 4.205 4.320 0.001 0.000 0.207 2069 K C 1.833 178.323 176.600 -0.182 0.000 1.048 2069 K CA 1.340 57.538 56.287 -0.149 0.000 0.930 2069 K CB -0.394 32.017 32.500 -0.148 0.000 0.716 2069 K HN -0.031 nan 8.250 nan 0.000 0.444 2070 V N 0.993 120.809 119.914 -0.163 0.000 2.307 2070 V HA -0.211 3.909 4.120 0.001 0.000 0.245 2070 V C 2.476 178.520 176.094 -0.084 0.000 1.045 2070 V CA 2.155 64.362 62.300 -0.155 0.000 1.024 2070 V CB -0.504 31.058 31.823 -0.436 0.000 0.651 2070 V HN 0.451 nan 8.190 nan 0.000 0.449 2071 K N 0.073 120.425 120.400 -0.080 0.000 2.057 2071 K HA -0.213 4.108 4.320 0.001 0.000 0.207 2071 K C 2.074 178.641 176.600 -0.054 0.000 1.049 2071 K CA 1.841 58.111 56.287 -0.029 0.000 0.931 2071 K CB -0.086 32.408 32.500 -0.010 0.000 0.714 2071 K HN 0.603 nan 8.250 nan 0.000 0.440 2072 E N 0.294 120.434 120.200 -0.101 0.000 2.046 2072 E HA -0.195 4.156 4.350 0.001 0.000 0.190 2072 E C 1.997 178.483 176.600 -0.190 0.000 0.982 2072 E CA 1.103 57.432 56.400 -0.118 0.000 0.800 2072 E CB 0.006 29.635 29.700 -0.118 0.000 0.756 2072 E HN 0.406 nan 8.360 nan 0.000 0.449 2073 E N -0.441 119.561 120.200 -0.330 0.000 2.208 2073 E HA -0.120 4.231 4.350 0.001 0.000 0.193 2073 E C 0.771 176.936 176.600 -0.725 0.000 0.988 2073 E CA 0.790 56.828 56.400 -0.603 0.000 0.828 2073 E CB 0.219 29.376 29.700 -0.905 0.000 0.763 2073 E HN 0.168 nan 8.360 nan 0.000 0.478 2074 F N -1.434 118.460 119.950 -0.092 0.000 2.746 2074 F HA 0.351 4.879 4.527 0.001 0.000 0.320 2074 F C 1.147 176.914 175.800 -0.056 0.000 1.097 2074 F CA 0.269 58.221 58.000 -0.081 0.000 1.195 2074 F CB 1.098 40.033 39.000 -0.109 0.000 1.056 2074 F HN 0.024 nan 8.300 nan 0.000 0.562 2075 G N 1.998 110.844 108.800 0.077 0.000 2.273 2075 G HA2 -0.300 3.661 3.960 0.001 0.000 0.280 2075 G HA3 -0.300 3.661 3.960 0.001 0.000 0.280 2075 G C -0.110 174.841 174.900 0.085 0.000 1.047 2075 G CA 0.045 45.180 45.100 0.059 0.000 0.869 2075 G HN 0.307 nan 8.290 nan 0.000 0.502 2076 L N -0.469 120.815 121.223 0.101 0.000 2.322 2076 L HA 0.448 4.789 4.340 0.001 0.000 0.279 2076 L C 1.095 178.031 176.870 0.110 0.000 1.036 2076 L CA -0.965 53.943 54.840 0.114 0.000 0.807 2076 L CB 1.225 43.358 42.059 0.124 0.000 1.226 2076 L HN 0.042 nan 8.230 nan 0.000 0.433 2077 K N 2.508 122.982 120.400 0.124 0.000 2.276 2077 K HA 0.369 4.690 4.320 0.001 0.000 0.259 2077 K C -0.629 176.055 176.600 0.140 0.000 1.001 2077 K CA -0.284 56.069 56.287 0.110 0.000 0.927 2077 K CB 0.826 33.385 32.500 0.097 0.000 0.969 2077 K HN 0.303 nan 8.250 nan 0.000 0.490 2078 I N 0.762 121.405 120.570 0.122 0.000 2.740 2078 I HA 0.291 4.462 4.170 0.001 0.000 0.303 2078 I C 0.070 176.258 176.117 0.119 0.000 1.044 2078 I CA -0.417 60.977 61.300 0.157 0.000 1.064 2078 I CB 1.867 39.951 38.000 0.141 0.000 1.249 2078 I HN 0.567 nan 8.210 nan 0.000 0.433 2079 T N 2.693 117.325 114.554 0.130 0.000 2.993 2079 T HA 0.602 4.953 4.350 0.001 0.000 0.312 2079 T C -1.043 173.721 174.700 0.107 0.000 1.115 2079 T CA -0.206 61.947 62.100 0.089 0.000 1.027 2079 T CB 1.529 70.422 68.868 0.043 0.000 1.116 2079 T HN 0.861 nan 8.240 nan 0.000 0.464 2080 T N 2.465 117.080 114.554 0.101 0.000 2.821 2080 T HA 0.564 4.915 4.350 0.001 0.000 0.306 2080 T C -2.018 172.699 174.700 0.027 0.000 1.313 2080 T CA -0.703 61.461 62.100 0.106 0.000 1.012 2080 T CB 1.504 70.509 68.868 0.229 0.000 1.298 2080 T HN 0.800 nan 8.240 nan 0.000 0.502 2081 D N 2.526 122.873 120.400 -0.089 0.000 2.193 2081 D HA 0.516 5.156 4.640 0.001 0.000 0.249 2081 D C 0.289 176.292 176.300 -0.496 0.000 1.034 2081 D CA -0.654 53.196 54.000 -0.251 0.000 0.902 2081 D CB 1.065 41.703 40.800 -0.271 0.000 1.182 2081 D HN 0.775 nan 8.370 nan 0.000 0.436 2082 I N -2.212 118.066 120.570 -0.485 0.000 2.750 2082 I HA 0.487 4.657 4.170 0.001 0.000 0.308 2082 I C -0.394 175.257 176.117 -0.776 0.000 1.016 2082 I CA -0.936 60.061 61.300 -0.506 0.000 1.098 2082 I CB 1.833 39.711 38.000 -0.204 0.000 1.279 2082 I HN 0.327 nan 8.210 nan 0.000 0.454 2083 H N 0.588 119.594 119.070 -0.107 0.000 3.255 2083 H HA 0.438 4.995 4.556 0.001 0.000 0.256 2083 H C -0.556 174.741 175.328 -0.053 0.000 1.049 2083 H CA -0.229 55.773 56.048 -0.075 0.000 1.202 2083 H CB 0.795 30.517 29.762 -0.067 0.000 1.497 2083 H HN 0.597 nan 8.280 nan 0.000 0.503 2084 E N -0.282 119.881 120.200 -0.063 0.000 2.356 2084 E HA 0.270 4.621 4.350 0.001 0.000 0.275 2084 E C 0.053 176.547 176.600 -0.177 0.000 0.904 2084 E CA -0.308 56.066 56.400 -0.044 0.000 0.757 2084 E CB 2.468 32.239 29.700 0.119 0.000 1.232 2084 E HN -0.022 nan 8.360 nan 0.000 0.442 2085 S N 1.550 117.246 115.700 -0.007 0.000 2.380 2085 S HA -0.187 4.283 4.470 0.001 0.000 0.229 2085 S C 1.599 176.207 174.600 0.013 0.000 1.043 2085 S CA 1.886 60.095 58.200 0.015 0.000 1.038 2085 S CB -0.297 62.959 63.200 0.092 0.000 0.872 2085 S HN 0.742 nan 8.310 nan 0.000 0.456 2086 W N 1.976 123.308 121.300 0.053 0.000 2.387 2086 W HA -0.114 4.546 4.660 0.001 0.000 0.272 2086 W C 1.227 177.774 176.519 0.047 0.000 1.224 2086 W CA 0.868 58.240 57.345 0.045 0.000 1.210 2086 W CB -0.904 28.581 29.460 0.042 0.000 1.125 2086 W HN 0.424 nan 8.180 nan 0.000 0.572 2087 Q N 0.894 120.259 119.800 -0.725 0.000 2.311 2087 Q HA 0.015 4.355 4.340 0.001 0.000 0.203 2087 Q C 2.696 178.554 176.000 -0.237 0.000 0.954 2087 Q CA 1.243 56.645 55.803 -0.667 0.000 0.885 2087 Q CB -0.341 27.930 28.738 -0.779 0.000 0.963 2087 Q HN 0.311 nan 8.270 nan 0.000 0.471 2088 A N 1.881 124.616 122.820 -0.142 0.000 1.873 2088 A HA -0.304 4.017 4.320 0.001 0.000 0.218 2088 A C 1.985 179.555 177.584 -0.022 0.000 1.193 2088 A CA 1.832 53.834 52.037 -0.059 0.000 0.629 2088 A CB -0.561 18.422 19.000 -0.028 0.000 0.826 2088 A HN 0.440 nan 8.150 nan 0.000 0.447 2089 E N -0.451 119.752 120.200 0.005 0.000 2.023 2089 E HA -0.158 4.193 4.350 0.001 0.000 0.196 2089 E C -0.484 176.124 176.600 0.014 0.000 1.003 2089 E CA 1.477 57.891 56.400 0.023 0.000 0.809 2089 E CB -0.609 29.122 29.700 0.051 0.000 0.755 2089 E HN 0.499 nan 8.360 nan 0.000 0.449 2090 P HA -0.116 nan 4.420 nan 0.000 0.218 2090 P C 1.592 178.868 177.300 -0.040 0.000 1.149 2090 P CA 1.018 64.117 63.100 -0.003 0.000 0.817 2090 P CB 0.025 31.737 31.700 0.019 0.000 0.785 2091 V N 0.835 120.712 119.914 -0.062 0.000 2.548 2091 V HA -0.138 3.983 4.120 0.001 0.000 0.249 2091 V C 2.790 178.885 176.094 0.001 0.000 1.055 2091 V CA 1.851 64.125 62.300 -0.043 0.000 1.065 2091 V CB -1.601 30.217 31.823 -0.008 0.000 0.681 2091 V HN 0.094 nan 8.190 nan 0.000 0.462 2092 A N -0.330 122.492 122.820 0.003 0.000 2.125 2092 A HA -0.168 4.152 4.320 0.001 0.000 0.219 2092 A C 2.074 179.668 177.584 0.016 0.000 1.156 2092 A CA 1.228 53.275 52.037 0.016 0.000 0.671 2092 A CB -0.325 18.684 19.000 0.015 0.000 0.794 2092 A HN 0.561 nan 8.150 nan 0.000 0.459 2093 E N -0.349 119.855 120.200 0.008 0.000 2.204 2093 E HA -0.104 4.246 4.350 0.001 0.000 0.195 2093 E C 1.565 178.171 176.600 0.009 0.000 0.990 2093 E CA 1.562 57.965 56.400 0.006 0.000 0.821 2093 E CB -0.139 29.560 29.700 -0.001 0.000 0.750 2093 E HN 0.517 nan 8.360 nan 0.000 0.477 2094 V N -0.292 119.631 119.914 0.015 0.000 3.371 2094 V HA 0.233 4.353 4.120 0.001 0.000 0.246 2094 V C 0.808 176.929 176.094 0.045 0.000 1.303 2094 V CA 0.374 62.688 62.300 0.024 0.000 1.156 2094 V CB 0.423 32.258 31.823 0.020 0.000 0.929 2094 V HN 0.068 nan 8.190 nan 0.000 0.459 2095 A N 0.813 123.664 122.820 0.052 0.000 2.404 2095 A HA 0.232 4.553 4.320 0.001 0.000 0.273 2095 A C 0.905 178.524 177.584 0.058 0.000 1.144 2095 A CA -0.042 52.035 52.037 0.067 0.000 0.806 2095 A CB -0.083 18.961 19.000 0.073 0.000 1.080 2095 A HN 0.386 nan 8.150 nan 0.000 0.509 2096 D N 1.728 122.166 120.400 0.064 0.000 2.194 2096 D HA 0.030 4.671 4.640 0.001 0.000 0.204 2096 D C 0.182 176.522 176.300 0.068 0.000 0.964 2096 D CA 1.427 55.464 54.000 0.063 0.000 0.846 2096 D CB 0.256 41.096 40.800 0.066 0.000 0.962 2096 D HN 0.579 nan 8.370 nan 0.000 0.490 2097 I N 1.564 122.171 120.570 0.061 0.000 2.447 2097 I HA 0.265 4.436 4.170 0.001 0.000 0.287 2097 I C -0.365 175.782 176.117 0.049 0.000 1.023 2097 I CA -0.595 60.740 61.300 0.060 0.000 1.083 2097 I CB 2.641 40.651 38.000 0.016 0.000 1.245 2097 I HN -0.301 nan 8.210 nan 0.000 0.434 2098 I N 5.804 126.403 120.570 0.048 0.000 2.325 2098 I HA 0.211 4.382 4.170 0.001 0.000 0.291 2098 I C 0.170 176.291 176.117 0.007 0.000 1.019 2098 I CA -0.226 61.089 61.300 0.025 0.000 1.302 2098 I CB 1.225 39.235 38.000 0.016 0.000 1.401 2098 I HN 0.591 nan 8.210 nan 0.000 0.485 2099 Q N 6.339 126.127 119.800 -0.020 0.000 2.243 2099 Q HA 0.419 4.760 4.340 0.001 0.000 0.252 2099 Q C -1.079 174.860 176.000 -0.102 0.000 0.909 2099 Q CA -0.717 55.055 55.803 -0.051 0.000 0.922 2099 Q CB 1.445 30.156 28.738 -0.045 0.000 1.215 2099 Q HN 0.479 nan 8.270 nan 0.000 0.427 2100 I N 6.408 126.920 120.570 -0.096 0.000 2.339 2100 I HA 0.338 4.509 4.170 0.001 0.000 0.290 2100 I C -2.183 173.854 176.117 -0.132 0.000 0.994 2100 I CA -2.601 58.636 61.300 -0.104 0.000 1.191 2100 I CB 0.963 38.930 38.000 -0.056 0.000 1.343 2100 I HN 0.496 nan 8.210 nan 0.000 0.458 2101 P HA 0.039 nan 4.420 nan 0.000 0.267 2101 P C 0.637 177.847 177.300 -0.150 0.000 1.200 2101 P CA 0.151 63.152 63.100 -0.165 0.000 0.772 2101 P CB 0.894 32.544 31.700 -0.083 0.000 0.855 2102 A N 2.597 125.253 122.820 -0.273 0.000 1.883 2102 A HA -0.219 4.102 4.320 0.001 0.000 0.217 2102 A C 1.683 179.276 177.584 0.014 0.000 1.186 2102 A CA 1.758 53.646 52.037 -0.248 0.000 0.624 2102 A CB -1.620 17.136 19.000 -0.407 0.000 0.822 2102 A HN 0.506 nan 8.150 nan 0.000 0.444 2103 F N -0.243 119.741 119.950 0.055 0.000 2.333 2103 F HA 0.011 4.538 4.527 0.001 0.000 0.300 2103 F C 1.589 177.504 175.800 0.193 0.000 1.083 2103 F CA 0.408 58.534 58.000 0.208 0.000 1.395 2103 F CB -0.568 38.501 39.000 0.114 0.000 1.056 2103 F HN 0.104 nan 8.300 nan 0.000 0.529 2104 L N -0.397 120.987 121.223 0.269 0.000 2.700 2104 L HA 0.097 4.438 4.340 0.001 0.000 0.234 2104 L C 1.848 178.792 176.870 0.123 0.000 1.156 2104 L CA -0.062 54.879 54.840 0.169 0.000 0.946 2104 L CB -0.694 41.426 42.059 0.102 0.000 1.216 2104 L HN 0.231 nan 8.230 nan 0.000 0.493 2105 C N -1.536 117.849 119.300 0.142 0.000 2.466 2105 C HA 0.018 4.479 4.460 0.001 0.000 0.283 2105 C C 2.143 177.193 174.990 0.101 0.000 1.472 2105 C CA -0.081 58.982 59.018 0.076 0.000 1.765 2105 C CB -0.920 26.822 27.740 0.004 0.000 1.724 2105 C HN 0.475 nan 8.230 nan 0.000 0.560 2106 R N -0.138 120.452 120.500 0.151 0.000 2.437 2106 R HA 0.148 4.489 4.340 0.001 0.000 0.257 2106 R C 0.082 176.417 176.300 0.058 0.000 0.927 2106 R CA -0.017 56.146 56.100 0.105 0.000 1.078 2106 R CB 0.004 30.381 30.300 0.129 0.000 1.161 2106 R HN 0.557 nan 8.270 nan 0.000 0.529 2107 Q N 1.309 121.145 119.800 0.060 0.000 2.381 2107 Q HA 0.069 4.410 4.340 0.001 0.000 0.243 2107 Q C 0.784 176.806 176.000 0.035 0.000 1.154 2107 Q CA 0.296 56.125 55.803 0.042 0.000 0.899 2107 Q CB 0.977 29.745 28.738 0.049 0.000 1.396 2107 Q HN 0.058 nan 8.270 nan 0.000 0.485 2108 T N 1.576 116.147 114.554 0.027 0.000 2.624 2108 T HA -0.191 4.159 4.350 0.001 0.000 0.268 2108 T C 0.930 175.655 174.700 0.041 0.000 1.041 2108 T CA 1.789 63.905 62.100 0.027 0.000 1.159 2108 T CB 0.068 68.943 68.868 0.012 0.000 0.863 2108 T HN 0.492 nan 8.240 nan 0.000 0.434 2109 D N 0.638 121.063 120.400 0.042 0.000 2.178 2109 D HA -0.029 4.612 4.640 0.001 0.000 0.201 2109 D C 2.033 178.360 176.300 0.045 0.000 0.980 2109 D CA 0.527 54.557 54.000 0.051 0.000 0.842 2109 D CB -0.377 40.456 40.800 0.055 0.000 0.948 2109 D HN 0.199 nan 8.370 nan 0.000 0.472 2110 L N 0.531 121.775 121.223 0.035 0.000 2.056 2110 L HA -0.069 4.272 4.340 0.001 0.000 0.207 2110 L C 2.221 179.099 176.870 0.014 0.000 1.078 2110 L CA 1.196 56.046 54.840 0.016 0.000 0.749 2110 L CB -0.407 41.658 42.059 0.009 0.000 0.901 2110 L HN -0.023 nan 8.230 nan 0.000 0.433 2111 L N -1.396 119.842 121.223 0.025 0.000 2.017 2111 L HA -0.235 4.106 4.340 0.001 0.000 0.208 2111 L C 2.463 179.358 176.870 0.041 0.000 1.073 2111 L CA 1.265 56.122 54.840 0.029 0.000 0.745 2111 L CB -0.584 41.495 42.059 0.035 0.000 0.894 2111 L HN 0.271 nan 8.230 nan 0.000 0.432 2112 L N -0.517 120.741 121.223 0.057 0.000 2.056 2112 L HA -0.181 4.159 4.340 0.001 0.000 0.207 2112 L C 2.900 179.798 176.870 0.047 0.000 1.078 2112 L CA 1.081 55.963 54.840 0.071 0.000 0.749 2112 L CB -0.777 41.341 42.059 0.098 0.000 0.901 2112 L HN 0.246 nan 8.230 nan 0.000 0.433 2113 A N 0.198 123.041 122.820 0.039 0.000 1.908 2113 A HA -0.197 4.124 4.320 0.001 0.000 0.218 2113 A C 2.536 180.130 177.584 0.017 0.000 1.181 2113 A CA 1.884 53.938 52.037 0.029 0.000 0.627 2113 A CB -0.697 18.318 19.000 0.024 0.000 0.818 2113 A HN 0.408 nan 8.150 nan 0.000 0.445 2114 A N -0.251 122.575 122.820 0.011 0.000 1.898 2114 A HA 0.197 4.517 4.320 0.001 0.000 0.216 2114 A C 2.507 180.101 177.584 0.018 0.000 1.181 2114 A CA 2.016 54.058 52.037 0.008 0.000 0.620 2114 A CB -1.029 17.973 19.000 0.003 0.000 0.819 2114 A HN 1.090 nan 8.150 nan 0.000 0.442 2115 A N -0.203 122.631 122.820 0.023 0.000 1.972 2115 A HA -0.171 4.150 4.320 0.001 0.000 0.219 2115 A C 2.107 179.697 177.584 0.010 0.000 1.169 2115 A CA 1.943 53.992 52.037 0.021 0.000 0.635 2115 A CB -0.446 18.570 19.000 0.026 0.000 0.810 2115 A HN 0.558 nan 8.150 nan 0.000 0.446 2116 K N 0.051 120.457 120.400 0.011 0.000 2.209 2116 K HA -0.139 4.182 4.320 0.001 0.000 0.204 2116 K C 1.869 178.474 176.600 0.007 0.000 1.048 2116 K CA 1.756 58.046 56.287 0.004 0.000 0.940 2116 K CB -0.312 32.194 32.500 0.011 0.000 0.729 2116 K HN 0.626 nan 8.250 nan 0.000 0.451 2117 T N -3.154 111.408 114.554 0.013 0.000 3.051 2117 T HA 0.049 4.399 4.350 0.001 0.000 0.269 2117 T C 1.465 176.174 174.700 0.015 0.000 1.127 2117 T CA 1.011 63.120 62.100 0.014 0.000 1.107 2117 T CB -0.234 68.644 68.868 0.016 0.000 0.898 2117 T HN 0.428 nan 8.240 nan 0.000 0.517 2118 G N 1.302 110.109 108.800 0.013 0.000 2.205 2118 G HA2 -0.248 3.713 3.960 0.001 0.000 0.261 2118 G HA3 -0.248 3.713 3.960 0.001 0.000 0.261 2118 G C 0.386 175.300 174.900 0.023 0.000 0.980 2118 G CA 0.009 45.117 45.100 0.014 0.000 0.632 2118 G HN 0.627 nan 8.290 nan 0.000 0.533 2119 R N 0.712 121.230 120.500 0.030 0.000 2.649 2119 R HA 0.693 5.034 4.340 0.001 0.000 0.270 2119 R C 0.909 177.243 176.300 0.057 0.000 1.105 2119 R CA 0.273 56.400 56.100 0.044 0.000 1.193 2119 R CB -0.021 30.305 30.300 0.044 0.000 1.120 2119 R HN 0.698 nan 8.270 nan 0.000 0.561 2120 A N 0.669 123.540 122.820 0.085 0.000 2.351 2120 A HA 0.435 4.755 4.320 0.001 0.000 0.257 2120 A C -0.364 177.298 177.584 0.130 0.000 1.087 2120 A CA -0.408 51.706 52.037 0.128 0.000 0.798 2120 A CB 0.638 19.773 19.000 0.225 0.000 1.033 2120 A HN 0.324 nan 8.150 nan 0.000 0.488 2121 V N 2.368 122.371 119.914 0.149 0.000 2.531 2121 V HA 0.354 4.475 4.120 0.001 0.000 0.301 2121 V C -0.101 176.105 176.094 0.187 0.000 1.034 2121 V CA -0.745 61.627 62.300 0.121 0.000 0.865 2121 V CB 1.660 33.523 31.823 0.067 0.000 0.995 2121 V HN 0.970 nan 8.190 nan 0.000 0.424 2122 N N 3.392 122.168 118.700 0.128 0.000 2.479 2122 N HA 0.556 5.297 4.740 0.001 0.000 0.261 2122 N C -1.334 174.186 175.510 0.017 0.000 0.979 2122 N CA -0.391 52.726 53.050 0.111 0.000 0.930 2122 N CB 1.766 40.260 38.487 0.012 0.000 1.172 2122 N HN 0.454 nan 8.380 nan 0.000 0.499 2123 V N 3.908 123.831 119.914 0.016 0.000 2.370 2123 V HA 0.267 4.387 4.120 0.001 0.000 0.279 2123 V C 0.193 176.230 176.094 -0.094 0.000 1.029 2123 V CA -0.781 61.496 62.300 -0.039 0.000 0.870 2123 V CB 1.174 32.987 31.823 -0.016 0.000 0.984 2123 V HN 0.572 nan 8.190 nan 0.000 0.451 2124 K N 3.800 124.104 120.400 -0.160 0.000 2.339 2124 K HA 0.185 4.506 4.320 0.001 0.000 0.286 2124 K C 0.076 176.547 176.600 -0.215 0.000 1.050 2124 K CA -0.214 55.931 56.287 -0.237 0.000 0.956 2124 K CB 0.746 33.051 32.500 -0.325 0.000 0.990 2124 K HN 0.617 nan 8.250 nan 0.000 0.475 2125 K N 1.724 121.994 120.400 -0.217 0.000 2.412 2125 K HA 0.077 4.397 4.320 0.001 0.000 0.284 2125 K C 0.323 176.712 176.600 -0.351 0.000 1.046 2125 K CA -0.090 56.054 56.287 -0.237 0.000 0.999 2125 K CB 0.381 32.762 32.500 -0.199 0.000 0.941 2125 K HN 0.704 nan 8.250 nan 0.000 0.474 2126 G N 3.219 111.716 108.800 -0.505 0.000 2.474 2126 G HA2 -0.105 3.856 3.960 0.001 0.000 0.233 2126 G HA3 -0.105 3.856 3.960 0.001 0.000 0.233 2126 G C 0.180 174.604 174.900 -0.793 0.000 1.278 2126 G CA -0.391 44.166 45.100 -0.905 0.000 0.861 2126 G HN 0.809 nan 8.290 nan 0.000 0.567 2127 Q N 0.688 120.194 119.800 -0.490 0.000 2.437 2127 Q HA -0.029 4.312 4.340 0.001 0.000 0.210 2127 Q C 1.619 177.542 176.000 -0.128 0.000 0.972 2127 Q CA 1.279 56.968 55.803 -0.191 0.000 0.903 2127 Q CB -0.157 28.608 28.738 0.046 0.000 0.967 2127 Q HN 0.824 nan 8.270 nan 0.000 0.486 2128 F N -2.939 117.025 119.950 0.024 0.000 2.721 2128 F HA 0.349 4.876 4.527 0.001 0.000 0.301 2128 F C 0.259 176.042 175.800 -0.029 0.000 1.096 2128 F CA -0.846 57.157 58.000 0.004 0.000 1.308 2128 F CB 0.006 39.013 39.000 0.012 0.000 1.086 2128 F HN -0.129 nan 8.300 nan 0.000 0.587 2129 L N 1.835 122.862 121.223 -0.327 0.000 2.334 2129 L HA 0.708 5.048 4.340 0.001 0.000 0.277 2129 L C 0.303 177.030 176.870 -0.239 0.000 1.075 2129 L CA -1.018 53.703 54.840 -0.198 0.000 0.804 2129 L CB 1.077 42.952 42.059 -0.305 0.000 1.174 2129 L HN 0.229 nan 8.230 nan 0.000 0.438 2130 A N 5.368 128.015 122.820 -0.288 0.000 2.286 2130 A HA 0.587 4.908 4.320 0.001 0.000 0.286 2130 A C -1.869 175.319 177.584 -0.660 0.000 1.097 2130 A CA -1.153 50.521 52.037 -0.605 0.000 0.821 2130 A CB 0.002 18.489 19.000 -0.855 0.000 1.076 2130 A HN 0.726 nan 8.150 nan 0.000 0.490 2131 P HA -0.173 nan 4.420 nan 0.000 0.215 2131 P C 0.967 178.242 177.300 -0.042 0.000 1.157 2131 P CA 2.108 64.996 63.100 -0.354 0.000 0.874 2131 P CB -0.134 31.390 31.700 -0.293 0.000 0.790 2132 W N -0.247 121.189 121.300 0.226 0.000 2.465 2132 W HA 0.004 4.665 4.660 0.001 0.000 0.268 2132 W C 0.915 177.487 176.519 0.090 0.000 1.242 2132 W CA 0.602 58.130 57.345 0.305 0.000 1.248 2132 W CB -1.866 27.726 29.460 0.219 0.000 1.118 2132 W HN -0.108 nan 8.180 nan 0.000 0.587 2133 D N 0.957 121.364 120.400 0.012 0.000 2.371 2133 D HA -0.120 4.521 4.640 0.001 0.000 0.221 2133 D C 2.024 178.286 176.300 -0.062 0.000 0.986 2133 D CA 1.862 55.864 54.000 0.004 0.000 0.899 2133 D CB -0.508 40.278 40.800 -0.025 0.000 0.902 2133 D HN 0.415 nan 8.370 nan 0.000 0.530 2134 T N -2.028 112.506 114.554 -0.033 0.000 3.088 2134 T HA -0.023 4.328 4.350 0.001 0.000 0.259 2134 T C 1.708 176.218 174.700 -0.318 0.000 1.122 2134 T CA 0.314 62.388 62.100 -0.043 0.000 1.095 2134 T CB 0.222 69.183 68.868 0.156 0.000 0.930 2134 T HN 0.048 nan 8.240 nan 0.000 0.508 2135 K N 1.588 121.522 120.400 -0.777 0.000 2.057 2135 K HA -0.120 4.201 4.320 0.001 0.000 0.207 2135 K C 2.068 178.317 176.600 -0.585 0.000 1.049 2135 K CA 1.653 57.120 56.287 -1.366 0.000 0.931 2135 K CB -0.348 31.169 32.500 -1.638 0.000 0.714 2135 K HN 0.499 nan 8.250 nan 0.000 0.440 2136 N N -0.248 118.242 118.700 -0.350 0.000 2.309 2136 N HA -0.126 4.614 4.740 0.001 0.000 0.182 2136 N C 1.635 177.064 175.510 -0.135 0.000 1.018 2136 N CA 0.779 53.712 53.050 -0.194 0.000 0.876 2136 N CB 0.175 38.587 38.487 -0.124 0.000 0.972 2136 N HN -0.023 nan 8.380 nan 0.000 0.434 2137 V N 0.547 120.385 119.914 -0.126 0.000 2.307 2137 V HA -0.174 3.947 4.120 0.001 0.000 0.245 2137 V C 2.218 178.284 176.094 -0.047 0.000 1.045 2137 V CA 1.250 63.514 62.300 -0.060 0.000 1.024 2137 V CB -0.375 31.426 31.823 -0.037 0.000 0.651 2137 V HN 0.128 nan 8.190 nan 0.000 0.449 2138 V N 0.129 119.996 119.914 -0.078 0.000 2.343 2138 V HA -0.310 3.810 4.120 0.001 0.000 0.247 2138 V C 2.468 178.551 176.094 -0.019 0.000 1.051 2138 V CA 2.372 64.656 62.300 -0.028 0.000 1.036 2138 V CB -0.642 31.173 31.823 -0.013 0.000 0.654 2138 V HN 0.696 nan 8.190 nan 0.000 0.451 2139 E N 0.250 120.413 120.200 -0.062 0.000 2.118 2139 E HA -0.269 4.082 4.350 0.001 0.000 0.195 2139 E C 2.242 178.865 176.600 0.038 0.000 0.992 2139 E CA 1.421 57.809 56.400 -0.020 0.000 0.804 2139 E CB -0.043 29.616 29.700 -0.068 0.000 0.741 2139 E HN 0.590 nan 8.360 nan 0.000 0.458 2140 K N 0.138 120.547 120.400 0.016 0.000 2.057 2140 K HA -0.116 4.205 4.320 0.001 0.000 0.207 2140 K C 2.303 178.980 176.600 0.128 0.000 1.049 2140 K CA 1.232 57.555 56.287 0.061 0.000 0.931 2140 K CB -0.113 32.400 32.500 0.022 0.000 0.714 2140 K HN 0.215 nan 8.250 nan 0.000 0.440 2141 L N 1.093 122.362 121.223 0.075 0.000 2.056 2141 L HA -0.193 4.148 4.340 0.001 0.000 0.207 2141 L C 2.329 179.241 176.870 0.070 0.000 1.078 2141 L CA 1.342 56.223 54.840 0.067 0.000 0.749 2141 L CB -0.302 41.782 42.059 0.041 0.000 0.901 2141 L HN 0.140 nan 8.230 nan 0.000 0.433 2142 K N -0.498 119.947 120.400 0.074 0.000 2.057 2142 K HA -0.200 4.121 4.320 0.001 0.000 0.206 2142 K C 2.082 178.730 176.600 0.080 0.000 1.050 2142 K CA 1.477 57.801 56.287 0.063 0.000 0.935 2142 K CB -0.279 32.258 32.500 0.061 0.000 0.715 2142 K HN 0.099 nan 8.250 nan 0.000 0.439 2143 F N 1.300 121.246 119.950 -0.007 0.000 2.202 2143 F HA -0.100 4.428 4.527 0.001 0.000 0.301 2143 F C 1.802 177.602 175.800 -0.001 0.000 1.082 2143 F CA 1.574 59.572 58.000 -0.005 0.000 1.313 2143 F CB -0.329 38.666 39.000 -0.008 0.000 1.024 2143 F HN -0.027 nan 8.300 nan 0.000 0.495 2144 G N -1.089 107.741 108.800 0.051 0.000 2.920 2144 G HA2 0.275 4.236 3.960 0.001 0.000 0.208 2144 G HA3 0.275 4.236 3.960 0.001 0.000 0.208 2144 G C 1.343 176.199 174.900 -0.074 0.000 1.159 2144 G CA 0.351 45.433 45.100 -0.029 0.000 0.784 2144 G HN 0.974 nan 8.290 nan 0.000 0.535 2145 G N -1.419 107.334 108.800 -0.079 0.000 2.176 2145 G HA2 0.112 4.072 3.960 0.001 0.000 0.232 2145 G HA3 0.112 4.072 3.960 0.001 0.000 0.232 2145 G C 0.551 175.437 174.900 -0.023 0.000 0.986 2145 G CA 0.177 45.240 45.100 -0.062 0.000 0.643 2145 G HN 1.319 nan 8.290 nan 0.000 0.522 2146 A N -0.083 122.734 122.820 -0.004 0.000 2.462 2146 A HA 0.687 5.008 4.320 0.001 0.000 0.243 2146 A C 1.130 178.713 177.584 -0.001 0.000 1.076 2146 A CA 1.100 53.140 52.037 0.005 0.000 0.773 2146 A CB 0.373 19.384 19.000 0.018 0.000 1.010 2146 A HN 0.380 nan 8.150 nan 0.000 0.493 2147 K N 0.382 120.779 120.400 -0.005 0.000 2.502 2147 K HA 0.125 4.445 4.320 0.001 0.000 0.211 2147 K C -0.002 176.574 176.600 -0.039 0.000 1.259 2147 K CA 0.178 56.457 56.287 -0.014 0.000 0.983 2147 K CB 0.934 33.429 32.500 -0.009 0.000 1.054 2147 K HN 0.806 nan 8.250 nan 0.000 0.572 2148 E N 2.057 122.231 120.200 -0.042 0.000 2.149 2148 E HA 0.325 4.676 4.350 0.001 0.000 0.255 2148 E C -1.287 175.222 176.600 -0.151 0.000 0.888 2148 E CA -0.265 56.068 56.400 -0.112 0.000 0.742 2148 E CB 0.674 30.359 29.700 -0.024 0.000 1.164 2148 E HN 0.078 nan 8.360 nan 0.000 0.422 2149 I N 4.358 124.767 120.570 -0.268 0.000 2.465 2149 I HA 0.358 4.529 4.170 0.001 0.000 0.291 2149 I C -1.080 174.837 176.117 -0.334 0.000 1.014 2149 I CA -0.870 60.321 61.300 -0.181 0.000 1.093 2149 I CB 1.196 39.164 38.000 -0.054 0.000 1.267 2149 I HN 0.467 nan 8.210 nan 0.000 0.431 2150 Y N 5.589 125.898 120.300 0.017 0.000 2.485 2150 Y HA 0.680 5.231 4.550 0.001 0.000 0.345 2150 Y C -0.465 175.434 175.900 -0.001 0.000 0.998 2150 Y CA -0.866 57.237 58.100 0.004 0.000 1.059 2150 Y CB 1.884 40.336 38.460 -0.014 0.000 1.234 2150 Y HN 0.266 nan 8.280 nan 0.000 0.461 2151 L N 2.323 123.641 121.223 0.158 0.000 2.362 2151 L HA 0.586 4.927 4.340 0.001 0.000 0.275 2151 L C -0.745 176.141 176.870 0.027 0.000 0.998 2151 L CA -0.585 54.299 54.840 0.074 0.000 0.820 2151 L CB 2.202 44.314 42.059 0.089 0.000 1.270 2151 L HN 0.647 nan 8.230 nan 0.000 0.415 2152 T N 1.136 115.659 114.554 -0.052 0.000 2.779 2152 T HA 0.236 4.587 4.350 0.001 0.000 0.280 2152 T C -0.366 174.244 174.700 -0.150 0.000 0.987 2152 T CA -0.445 61.584 62.100 -0.118 0.000 0.966 2152 T CB 1.632 70.360 68.868 -0.233 0.000 0.933 2152 T HN 0.407 nan 8.240 nan 0.000 0.442 2153 E N 2.650 122.785 120.200 -0.107 0.000 2.223 2153 E HA 0.286 4.637 4.350 0.001 0.000 0.282 2153 E C 0.440 176.922 176.600 -0.196 0.000 1.046 2153 E CA -0.545 55.790 56.400 -0.109 0.000 0.857 2153 E CB 0.441 30.142 29.700 0.003 0.000 1.055 2153 E HN 0.610 nan 8.360 nan 0.000 0.409 2154 R N 3.046 123.415 120.500 -0.218 0.000 2.592 2154 R HA 0.500 4.840 4.340 0.001 0.000 0.439 2154 R C 0.120 176.322 176.300 -0.163 0.000 0.995 2154 R CA -0.191 55.766 56.100 -0.237 0.000 1.141 2154 R CB 0.081 30.199 30.300 -0.303 0.000 1.495 2154 R HN 0.641 nan 8.270 nan 0.000 0.579 2155 G N -0.041 108.671 108.800 -0.146 0.000 2.663 2155 G HA2 -0.013 3.947 3.960 0.001 0.000 0.686 2155 G HA3 -0.013 3.947 3.960 0.001 0.000 0.686 2155 G C -0.891 173.940 174.900 -0.116 0.000 1.246 2155 G CA -0.464 44.567 45.100 -0.115 0.000 0.795 2155 G HN 0.187 nan 8.290 nan 0.000 0.627 2156 T N 0.925 115.429 114.554 -0.083 0.000 2.893 2156 T HA 0.654 5.005 4.350 0.001 0.000 0.291 2156 T C 0.441 175.164 174.700 0.038 0.000 1.028 2156 T CA -0.058 62.010 62.100 -0.054 0.000 0.995 2156 T CB 1.697 70.520 68.868 -0.076 0.000 1.051 2156 T HN 0.877 nan 8.240 nan 0.000 0.470 2157 T N 2.991 117.586 114.554 0.067 0.000 2.822 2157 T HA 0.144 4.494 4.350 0.001 0.000 0.288 2157 T C -0.709 174.092 174.700 0.169 0.000 0.991 2157 T CA 0.506 62.676 62.100 0.117 0.000 1.176 2157 T CB -0.472 68.465 68.868 0.115 0.000 0.951 2157 T HN 0.420 nan 8.240 nan 0.000 0.526 2158 F N 4.105 124.047 119.950 -0.014 0.000 2.691 2158 F HA 0.526 5.053 4.527 0.001 0.000 0.371 2158 F C 0.729 176.496 175.800 -0.055 0.000 1.159 2158 F CA 0.065 58.044 58.000 -0.036 0.000 1.174 2158 F CB -0.150 38.831 39.000 -0.032 0.000 1.419 2158 F HN 0.917 nan 8.300 nan 0.000 0.514 2159 G N 2.906 111.471 108.800 -0.391 0.000 2.598 2159 G HA2 -0.289 3.671 3.960 0.001 0.000 0.244 2159 G HA3 -0.289 3.671 3.960 0.001 0.000 0.244 2159 G C -1.341 173.394 174.900 -0.275 0.000 1.302 2159 G CA -0.304 44.504 45.100 -0.487 0.000 0.903 2159 G HN 0.504 nan 8.290 nan 0.000 0.575 2160 Y N 1.652 121.916 120.300 -0.059 0.000 2.334 2160 Y HA 0.493 5.044 4.550 0.001 0.000 0.328 2160 Y C 1.429 177.341 175.900 0.020 0.000 1.130 2160 Y CA -0.571 57.523 58.100 -0.010 0.000 1.163 2160 Y CB 1.071 39.523 38.460 -0.014 0.000 1.207 2160 Y HN 0.648 nan 8.280 nan 0.000 0.471 2161 N N 1.677 120.510 118.700 0.221 0.000 2.721 2161 N HA -0.322 4.418 4.740 0.001 0.000 0.249 2161 N C -0.775 174.819 175.510 0.139 0.000 1.072 2161 N CA 1.048 54.188 53.050 0.151 0.000 0.710 2161 N CB -1.103 37.458 38.487 0.122 0.000 0.993 2161 N HN 0.890 nan 8.380 nan 0.000 0.547 2162 N N -0.432 118.358 118.700 0.149 0.000 2.405 2162 N HA 0.570 5.311 4.740 0.001 0.000 0.274 2162 N C -1.490 174.126 175.510 0.176 0.000 1.170 2162 N CA -0.545 52.602 53.050 0.162 0.000 0.848 2162 N CB 1.613 40.220 38.487 0.201 0.000 1.629 2162 N HN -0.024 nan 8.380 nan 0.000 0.481 2163 L N 1.928 123.233 121.223 0.138 0.000 2.370 2163 L HA 0.699 5.039 4.340 0.001 0.000 0.266 2163 L C -0.814 176.065 176.870 0.015 0.000 1.002 2163 L CA -1.004 53.891 54.840 0.092 0.000 0.818 2163 L CB 2.102 44.190 42.059 0.048 0.000 1.325 2163 L HN 0.280 nan 8.230 nan 0.000 0.418 2164 V N 2.636 122.513 119.914 -0.062 0.000 2.823 2164 V HA 0.557 4.678 4.120 0.001 0.000 0.312 2164 V C -0.838 175.142 176.094 -0.190 0.000 1.072 2164 V CA -0.498 61.670 62.300 -0.220 0.000 0.937 2164 V CB 2.558 34.066 31.823 -0.526 0.000 1.013 2164 V HN 0.406 nan 8.190 nan 0.000 0.430 2165 V N 5.196 124.982 119.914 -0.214 0.000 2.333 2165 V HA 0.371 4.491 4.120 0.001 0.000 0.274 2165 V C -0.299 175.569 176.094 -0.376 0.000 1.028 2165 V CA -0.426 61.674 62.300 -0.334 0.000 0.851 2165 V CB 1.327 32.869 31.823 -0.469 0.000 1.000 2165 V HN 0.919 nan 8.190 nan 0.000 0.456 2166 D N 4.063 124.273 120.400 -0.316 0.000 2.441 2166 D HA 0.246 4.887 4.640 0.001 0.000 0.221 2166 D C 0.675 176.840 176.300 -0.224 0.000 1.156 2166 D CA -0.384 53.502 54.000 -0.190 0.000 0.896 2166 D CB 0.621 41.340 40.800 -0.136 0.000 1.028 2166 D HN 0.390 nan 8.370 nan 0.000 0.509 2167 F N 2.016 121.917 119.950 -0.082 0.000 2.583 2167 F HA 0.000 4.528 4.527 0.001 0.000 0.297 2167 F C 2.241 178.002 175.800 -0.066 0.000 1.131 2167 F CA 0.438 58.385 58.000 -0.088 0.000 1.467 2167 F CB 0.033 38.965 39.000 -0.114 0.000 1.097 2167 F HN 0.292 nan 8.300 nan 0.000 0.586 2168 R N -0.210 120.335 120.500 0.074 0.000 2.189 2168 R HA -0.134 4.207 4.340 0.001 0.000 0.223 2168 R C 2.484 178.796 176.300 0.019 0.000 1.092 2168 R CA 1.288 57.422 56.100 0.057 0.000 0.989 2168 R CB -0.520 29.823 30.300 0.072 0.000 0.876 2168 R HN 0.356 nan 8.270 nan 0.000 0.457 2169 S N 0.680 116.357 115.700 -0.038 0.000 2.399 2169 S HA -0.124 4.346 4.470 0.001 0.000 0.231 2169 S C 1.867 176.433 174.600 -0.058 0.000 1.022 2169 S CA 0.780 58.937 58.200 -0.071 0.000 0.983 2169 S CB -0.186 62.936 63.200 -0.130 0.000 0.803 2169 S HN 0.063 nan 8.310 nan 0.000 0.480 2170 L N 2.825 124.026 121.223 -0.037 0.000 1.970 2170 L HA 0.019 4.360 4.340 0.001 0.000 0.212 2170 L C -0.340 176.485 176.870 -0.076 0.000 1.071 2170 L CA 2.012 56.830 54.840 -0.036 0.000 0.751 2170 L CB -1.649 40.416 42.059 0.009 0.000 0.889 2170 L HN 0.287 nan 8.230 nan 0.000 0.432 2171 P HA -0.134 nan 4.420 nan 0.000 0.221 2171 P C 2.035 179.245 177.300 -0.151 0.000 1.150 2171 P CA 1.514 64.559 63.100 -0.093 0.000 0.800 2171 P CB 0.111 31.783 31.700 -0.048 0.000 0.787 2172 I N -0.623 119.875 120.570 -0.121 0.000 2.163 2172 I HA -0.189 3.982 4.170 0.001 0.000 0.240 2172 I C 2.745 178.579 176.117 -0.471 0.000 1.081 2172 I CA 1.506 62.702 61.300 -0.174 0.000 1.353 2172 I CB -0.626 37.402 38.000 0.047 0.000 1.054 2172 I HN -0.163 nan 8.210 nan 0.000 0.407 2173 M N 0.195 119.611 119.600 -0.306 0.000 2.296 2173 M HA -0.173 4.307 4.480 0.001 0.000 0.265 2173 M C 2.135 178.095 176.300 -0.566 0.000 1.064 2173 M CA 1.221 56.297 55.300 -0.373 0.000 1.109 2173 M CB -0.371 32.197 32.600 -0.052 0.000 1.396 2173 M HN 0.004 nan 8.290 nan 0.000 0.430 2174 K N 1.145 121.312 120.400 -0.389 0.000 2.360 2174 K HA -0.141 4.180 4.320 0.001 0.000 0.201 2174 K C 1.625 178.004 176.600 -0.369 0.000 1.046 2174 K CA 1.408 57.522 56.287 -0.288 0.000 0.945 2174 K CB -0.172 32.216 32.500 -0.186 0.000 0.750 2174 K HN 0.435 nan 8.250 nan 0.000 0.464 2175 Q N -1.228 118.181 119.800 -0.651 0.000 2.291 2175 Q HA -0.122 4.218 4.340 0.001 0.000 0.206 2175 Q C 0.434 176.266 176.000 -0.280 0.000 0.976 2175 Q CA 1.537 57.016 55.803 -0.539 0.000 0.875 2175 Q CB -0.047 28.227 28.738 -0.774 0.000 0.927 2175 Q HN 0.647 nan 8.270 nan 0.000 0.450 2176 W N -2.436 118.869 121.300 0.010 0.000 2.055 2176 W HA 0.717 5.378 4.660 0.001 0.000 0.293 2176 W C -0.274 176.233 176.519 -0.020 0.000 0.886 2176 W CA -0.320 57.025 57.345 0.001 0.000 1.384 2176 W CB 0.172 29.639 29.460 0.012 0.000 1.068 2176 W HN -0.090 nan 8.180 nan 0.000 0.513 2177 A N 0.629 123.491 122.820 0.071 0.000 2.567 2177 A HA 0.544 4.865 4.320 0.001 0.000 0.291 2177 A C -1.034 176.528 177.584 -0.035 0.000 1.048 2177 A CA -1.237 50.824 52.037 0.040 0.000 0.661 2177 A CB 0.847 19.924 19.000 0.128 0.000 1.288 2177 A HN 0.038 nan 8.150 nan 0.000 0.424 2178 K N 0.390 120.740 120.400 -0.084 0.000 2.326 2178 K HA 0.484 4.804 4.320 0.001 0.000 0.275 2178 K C -0.743 175.901 176.600 0.072 0.000 1.018 2178 K CA -0.156 56.113 56.287 -0.030 0.000 0.962 2178 K CB 1.079 33.522 32.500 -0.096 0.000 0.953 2178 K HN 0.389 nan 8.250 nan 0.000 0.475 2179 V N 4.729 124.683 119.914 0.068 0.000 2.459 2179 V HA 0.345 4.466 4.120 0.001 0.000 0.295 2179 V C -0.188 175.950 176.094 0.074 0.000 1.029 2179 V CA -0.890 61.448 62.300 0.063 0.000 0.874 2179 V CB 1.393 33.221 31.823 0.008 0.000 0.985 2179 V HN 0.573 nan 8.190 nan 0.000 0.438 2180 I N 4.247 124.855 120.570 0.063 0.000 2.474 2180 I HA 0.385 4.555 4.170 0.001 0.000 0.294 2180 I C -0.830 175.328 176.117 0.068 0.000 1.005 2180 I CA -0.842 60.475 61.300 0.028 0.000 1.113 2180 I CB 1.769 39.747 38.000 -0.036 0.000 1.289 2180 I HN 0.691 nan 8.210 nan 0.000 0.436 2181 Y N 5.011 125.310 120.300 -0.001 0.000 2.331 2181 Y HA 0.319 4.870 4.550 0.001 0.000 0.338 2181 Y C -0.003 175.927 175.900 0.049 0.000 0.976 2181 Y CA -0.814 57.295 58.100 0.015 0.000 1.137 2181 Y CB 0.820 39.331 38.460 0.086 0.000 1.172 2181 Y HN 0.504 nan 8.280 nan 0.000 0.478 2182 D N 5.269 125.254 120.400 -0.691 0.000 2.393 2182 D HA 0.213 4.853 4.640 0.001 0.000 0.232 2182 D C 0.594 176.394 176.300 -0.833 0.000 1.192 2182 D CA 0.356 54.041 54.000 -0.526 0.000 0.882 2182 D CB 1.249 41.743 40.800 -0.511 0.000 1.038 2182 D HN 0.814 nan 8.370 nan 0.000 0.499 2183 A N 2.944 125.463 122.820 -0.501 0.000 2.119 2183 A HA -0.086 4.234 4.320 0.001 0.000 0.217 2183 A C 1.891 179.447 177.584 -0.047 0.000 1.153 2183 A CA 1.610 53.515 52.037 -0.220 0.000 0.692 2183 A CB -0.181 18.904 19.000 0.142 0.000 0.799 2183 A HN 0.617 nan 8.150 nan 0.000 0.458 2184 T N -4.224 110.292 114.554 -0.064 0.000 3.033 2184 T HA 0.046 4.397 4.350 0.001 0.000 0.248 2184 T C 1.628 176.234 174.700 -0.155 0.000 1.040 2184 T CA 1.108 63.147 62.100 -0.101 0.000 1.133 2184 T CB -0.527 68.244 68.868 -0.162 0.000 0.895 2184 T HN 0.555 nan 8.240 nan 0.000 0.465 2185 H N 1.218 120.260 119.070 -0.046 0.000 2.502 2185 H HA 0.305 4.861 4.556 0.001 0.000 0.283 2185 H C 2.388 177.665 175.328 -0.086 0.000 1.015 2185 H CA 0.956 56.956 56.048 -0.080 0.000 1.298 2185 H CB 0.056 29.721 29.762 -0.161 0.000 1.411 2185 H HN 0.287 nan 8.280 nan 0.000 0.556 2186 S N 0.223 115.914 115.700 -0.015 0.000 2.447 2186 S HA -0.099 4.371 4.470 0.001 0.000 0.233 2186 S C 1.928 176.560 174.600 0.053 0.000 1.006 2186 S CA 1.179 59.373 58.200 -0.011 0.000 0.957 2186 S CB -0.036 63.151 63.200 -0.020 0.000 0.773 2186 S HN 0.454 nan 8.310 nan 0.000 0.507 2187 V N 0.178 120.142 119.914 0.083 0.000 3.578 2187 V HA 0.231 4.351 4.120 0.001 0.000 0.290 2187 V C 0.418 176.583 176.094 0.118 0.000 1.376 2187 V CA -0.555 61.822 62.300 0.128 0.000 1.083 2187 V CB -0.907 31.040 31.823 0.207 0.000 0.911 2187 V HN 0.489 nan 8.190 nan 0.000 0.433 2188 Q N 1.295 121.148 119.800 0.089 0.000 2.354 2188 Q HA 0.576 4.917 4.340 0.001 0.000 0.244 2188 Q C -0.680 175.379 176.000 0.097 0.000 0.969 2188 Q CA -0.522 55.334 55.803 0.089 0.000 0.885 2188 Q CB 1.452 30.245 28.738 0.092 0.000 1.241 2188 Q HN 0.502 nan 8.270 nan 0.000 0.461 2189 L N 2.862 124.144 121.223 0.098 0.000 2.297 2189 L HA 0.401 4.742 4.340 0.001 0.000 0.277 2189 L C -2.167 174.763 176.870 0.100 0.000 1.040 2189 L CA -2.294 52.607 54.840 0.103 0.000 0.867 2189 L CB 0.794 42.914 42.059 0.103 0.000 1.244 2189 L HN 0.504 nan 8.230 nan 0.000 0.433 2190 P HA 0.017 nan 4.420 nan 0.000 0.261 2190 P C 0.627 177.989 177.300 0.102 0.000 1.165 2190 P CA 0.809 63.980 63.100 0.119 0.000 0.759 2190 P CB 0.491 32.278 31.700 0.144 0.000 0.772 2200 M N 0.510 120.157 119.600 0.079 0.000 2.463 2200 M HA 0.256 4.737 4.480 0.001 0.000 0.201 2200 M C 2.228 178.578 176.300 0.083 0.000 1.799 2200 M CA -0.225 55.174 55.300 0.165 0.000 1.094 2200 M CB 0.344 33.012 32.600 0.114 0.000 1.408 2200 M HN 0.363 nan 8.290 nan 0.000 0.581 2201 R N 1.904 122.406 120.500 0.003 0.000 2.139 2201 R HA -0.189 4.152 4.340 0.001 0.000 0.243 2201 R C 1.800 178.065 176.300 -0.057 0.000 1.145 2201 R CA 2.299 58.393 56.100 -0.011 0.000 0.976 2201 R CB -0.211 30.073 30.300 -0.025 0.000 0.866 2201 R HN 0.554 nan 8.270 nan 0.000 0.449 2202 E N -0.749 119.318 120.200 -0.221 0.000 2.333 2202 E HA -0.194 4.157 4.350 0.001 0.000 0.198 2202 E C 0.930 177.333 176.600 -0.328 0.000 1.007 2202 E CA 1.005 57.203 56.400 -0.336 0.000 0.845 2202 E CB -0.196 29.168 29.700 -0.559 0.000 0.766 2202 E HN 0.502 nan 8.360 nan 0.000 0.507 2203 F N 0.422 120.425 119.950 0.088 0.000 2.695 2203 F HA 0.303 4.830 4.527 0.001 0.000 0.303 2203 F C 1.849 177.737 175.800 0.147 0.000 1.091 2203 F CA -0.496 57.565 58.000 0.103 0.000 1.300 2203 F CB 0.157 39.210 39.000 0.089 0.000 1.071 2203 F HN -0.087 nan 8.300 nan 0.000 0.578 2204 I N -0.253 120.480 120.570 0.272 0.000 2.099 2204 I HA -0.326 3.844 4.170 0.001 0.000 0.239 2204 I C 2.476 178.801 176.117 0.346 0.000 1.066 2204 I CA 1.364 62.823 61.300 0.264 0.000 1.324 2204 I CB -0.448 37.646 38.000 0.157 0.000 1.037 2204 I HN 0.107 nan 8.210 nan 0.000 0.401 2205 F N 2.334 122.353 119.950 0.115 0.000 2.102 2205 F HA -0.071 4.456 4.527 0.001 0.000 0.298 2205 F C -0.459 175.400 175.800 0.098 0.000 1.105 2205 F CA 1.059 59.115 58.000 0.094 0.000 1.239 2205 F CB -2.123 36.909 39.000 0.053 0.000 0.991 2205 F HN -0.015 nan 8.300 nan 0.000 0.474 2206 P HA -0.173 nan 4.420 nan 0.000 0.215 2206 P C 2.203 179.535 177.300 0.053 0.000 1.153 2206 P CA 1.760 64.873 63.100 0.022 0.000 0.853 2206 P CB -0.118 31.647 31.700 0.108 0.000 0.788 2207 L N -1.527 119.808 121.223 0.187 0.000 2.217 2207 L HA -0.069 4.271 4.340 0.001 0.000 0.211 2207 L C 2.422 179.375 176.870 0.138 0.000 1.107 2207 L CA 0.945 55.907 54.840 0.204 0.000 0.783 2207 L CB -0.602 41.689 42.059 0.388 0.000 0.919 2207 L HN -0.036 nan 8.230 nan 0.000 0.442 2208 I N -0.155 120.587 120.570 0.286 0.000 2.439 2208 I HA -0.234 3.937 4.170 0.001 0.000 0.251 2208 I C 2.728 178.926 176.117 0.135 0.000 1.139 2208 I CA 0.957 62.443 61.300 0.309 0.000 1.438 2208 I CB -0.016 38.240 38.000 0.426 0.000 1.085 2208 I HN 0.222 nan 8.210 nan 0.000 0.427 2209 R N 0.536 121.078 120.500 0.069 0.000 2.092 2209 R HA -0.099 4.242 4.340 0.001 0.000 0.231 2209 R C 2.349 178.566 176.300 -0.138 0.000 1.119 2209 R CA 1.330 57.405 56.100 -0.042 0.000 0.970 2209 R CB -0.429 29.771 30.300 -0.165 0.000 0.864 2209 R HN 0.393 nan 8.270 nan 0.000 0.440 2210 A N 1.523 124.190 122.820 -0.255 0.000 1.902 2210 A HA -0.119 4.202 4.320 0.001 0.000 0.217 2210 A C 2.413 179.697 177.584 -0.501 0.000 1.181 2210 A CA 1.675 53.403 52.037 -0.515 0.000 0.623 2210 A CB -0.633 17.800 19.000 -0.944 0.000 0.818 2210 A HN 0.380 nan 8.150 nan 0.000 0.443 2211 A N -0.011 122.607 122.820 -0.336 0.000 1.883 2211 A HA -0.088 4.232 4.320 0.001 0.000 0.217 2211 A C 2.320 179.886 177.584 -0.031 0.000 1.186 2211 A CA 2.599 54.564 52.037 -0.120 0.000 0.624 2211 A CB -1.317 17.534 19.000 -0.249 0.000 0.822 2211 A HN 1.169 nan 8.150 nan 0.000 0.444 2212 V N -2.781 117.141 119.914 0.013 0.000 2.667 2212 V HA 0.106 4.227 4.120 0.001 0.000 0.252 2212 V C 2.472 178.628 176.094 0.103 0.000 1.065 2212 V CA 1.513 63.854 62.300 0.068 0.000 1.083 2212 V CB -1.325 30.518 31.823 0.034 0.000 0.692 2212 V HN 0.511 nan 8.190 nan 0.000 0.468 2213 A N 0.537 123.363 122.820 0.011 0.000 1.930 2213 A HA -0.031 4.290 4.320 0.001 0.000 0.217 2213 A C 2.348 179.989 177.584 0.094 0.000 1.175 2213 A CA 2.033 54.095 52.037 0.040 0.000 0.627 2213 A CB -0.711 18.238 19.000 -0.084 0.000 0.815 2213 A HN 0.416 nan 8.150 nan 0.000 0.443 2214 V N -0.920 118.968 119.914 -0.043 0.000 2.379 2214 V HA 0.270 4.391 4.120 0.001 0.000 0.245 2214 V C 1.321 177.318 176.094 -0.162 0.000 1.044 2214 V CA 1.376 63.644 62.300 -0.055 0.000 1.036 2214 V CB -1.138 30.644 31.823 -0.068 0.000 0.664 2214 V HN 1.270 nan 8.190 nan 0.000 0.453 2215 G N -0.335 108.284 108.800 -0.301 0.000 3.400 2215 G HA2 0.086 4.046 3.960 0.001 0.000 0.679 2215 G HA3 0.086 4.046 3.960 0.001 0.000 0.679 2215 G C -0.756 173.919 174.900 -0.375 0.000 1.239 2215 G CA -0.656 43.937 45.100 -0.844 0.000 1.049 2215 G HN 1.021 nan 8.290 nan 0.000 0.539 2216 C N 0.328 119.524 119.300 -0.173 0.000 3.323 2216 C HA 0.871 5.332 4.460 0.001 0.000 0.324 2216 C C 0.593 175.660 174.990 0.128 0.000 1.428 2216 C CA -0.502 58.522 59.018 0.011 0.000 1.368 2216 C CB 1.859 29.667 27.740 0.113 0.000 1.731 2216 C HN 0.646 nan 8.230 nan 0.000 0.455 2217 D N 0.314 120.762 120.400 0.080 0.000 2.350 2217 D HA 0.390 5.031 4.640 0.001 0.000 0.213 2217 D C 0.781 176.958 176.300 -0.205 0.000 1.031 2217 D CA 1.322 55.363 54.000 0.068 0.000 0.861 2217 D CB 0.911 41.759 40.800 0.079 0.000 0.926 2217 D HN 1.080 nan 8.370 nan 0.000 0.520 2218 G N -0.412 108.175 108.800 -0.355 0.000 2.356 2218 G HA2 0.393 4.354 3.960 0.001 0.000 0.294 2218 G HA3 0.393 4.354 3.960 0.001 0.000 0.294 2218 G C -1.846 172.820 174.900 -0.390 0.000 1.423 2218 G CA -0.541 44.021 45.100 -0.895 0.000 0.806 2218 G HN -0.053 nan 8.290 nan 0.000 0.527 2219 V N 0.170 119.867 119.914 -0.362 0.000 2.876 2219 V HA 0.729 4.850 4.120 0.001 0.000 0.312 2219 V C -1.279 174.808 176.094 -0.012 0.000 1.085 2219 V CA -0.719 61.580 62.300 -0.001 0.000 0.945 2219 V CB 1.946 33.878 31.823 0.182 0.000 1.017 2219 V HN 0.844 nan 8.190 nan 0.000 0.428 2220 F N 5.211 125.080 119.950 -0.135 0.000 2.444 2220 F HA 0.832 5.360 4.527 0.001 0.000 0.342 2220 F C -0.451 175.270 175.800 -0.132 0.000 1.121 2220 F CA -0.741 57.169 58.000 -0.150 0.000 0.997 2220 F CB 1.461 40.364 39.000 -0.161 0.000 1.130 2220 F HN 0.398 nan 8.300 nan 0.000 0.454 2221 M N 5.897 125.272 119.600 -0.376 0.000 2.224 2221 M HA 0.266 4.747 4.480 0.001 0.000 0.281 2221 M C -1.139 174.919 176.300 -0.403 0.000 1.025 2221 M CA -0.498 54.654 55.300 -0.246 0.000 0.954 2221 M CB 2.450 34.976 32.600 -0.124 0.000 1.639 2221 M HN 0.534 nan 8.290 nan 0.000 0.461 2222 E N 1.615 121.636 120.200 -0.299 0.000 2.313 2222 E HA 0.390 4.741 4.350 0.001 0.000 0.276 2222 E C -0.440 176.067 176.600 -0.155 0.000 1.031 2222 E CA -0.131 56.114 56.400 -0.259 0.000 0.857 2222 E CB 1.825 31.428 29.700 -0.162 0.000 1.040 2222 E HN 0.442 nan 8.360 nan 0.000 0.408 2223 T N 2.175 116.649 114.554 -0.133 0.000 2.909 2223 T HA 0.255 4.606 4.350 0.001 0.000 0.299 2223 T C -1.664 173.046 174.700 0.017 0.000 1.073 2223 T CA -0.637 61.427 62.100 -0.059 0.000 0.999 2223 T CB 1.213 70.032 68.868 -0.081 0.000 1.098 2223 T HN 0.465 nan 8.240 nan 0.000 0.477 2224 H N 3.384 122.418 119.070 -0.060 0.000 2.974 2224 H HA 0.356 4.913 4.556 0.001 0.000 0.366 2224 H C -2.507 172.805 175.328 -0.027 0.000 1.155 2224 H CA -1.653 54.374 56.048 -0.036 0.000 1.186 2224 H CB 2.662 32.404 29.762 -0.032 0.000 1.799 2224 H HN 0.320 nan 8.280 nan 0.000 0.541 2225 P HA -0.105 nan 4.420 nan 0.000 0.216 2225 P C -0.650 176.753 177.300 0.172 0.000 1.153 2225 P CA 1.557 64.674 63.100 0.028 0.000 0.858 2225 P CB 0.395 32.047 31.700 -0.080 0.000 0.789 2226 E N -2.467 117.997 120.200 0.440 0.000 2.914 2226 E HA 0.155 4.506 4.350 0.001 0.000 0.246 2226 E C -2.215 174.390 176.600 0.010 0.000 1.146 2226 E CA -1.597 54.923 56.400 0.201 0.000 0.803 2226 E CB 1.060 30.840 29.700 0.133 0.000 1.409 2226 E HN 0.079 nan 8.360 nan 0.000 0.392 2227 P HA -0.312 nan 4.420 nan 0.000 0.218 2227 P C 1.259 178.424 177.300 -0.224 0.000 1.152 2227 P CA 1.486 64.450 63.100 -0.226 0.000 0.857 2227 P CB 0.162 31.811 31.700 -0.085 0.000 0.787 2228 E N 0.319 120.447 120.200 -0.121 0.000 2.267 2228 E HA -0.201 4.150 4.350 0.001 0.000 0.197 2228 E C 1.219 177.755 176.600 -0.107 0.000 0.998 2228 E CA 1.183 57.529 56.400 -0.090 0.000 0.830 2228 E CB -0.599 29.072 29.700 -0.048 0.000 0.751 2228 E HN 0.288 nan 8.360 nan 0.000 0.491 2229 K N 0.401 120.713 120.400 -0.146 0.000 2.358 2229 K HA 0.301 4.621 4.320 0.001 0.000 0.200 2229 K C 0.339 176.816 176.600 -0.205 0.000 1.030 2229 K CA 0.119 56.333 56.287 -0.122 0.000 1.097 2229 K CB 0.948 33.426 32.500 -0.037 0.000 0.862 2229 K HN 0.117 nan 8.250 nan 0.000 0.534 2230 A N 1.206 123.782 122.820 -0.407 0.000 2.483 2230 A HA 0.080 4.401 4.320 0.001 0.000 0.238 2230 A C 0.852 178.321 177.584 -0.192 0.000 1.070 2230 A CA 0.026 51.806 52.037 -0.429 0.000 0.770 2230 A CB 0.074 18.755 19.000 -0.532 0.000 1.008 2230 A HN 0.297 nan 8.150 nan 0.000 0.497 2231 L N 1.211 122.336 121.223 -0.163 0.000 2.592 2231 L HA 0.182 4.523 4.340 0.001 0.000 0.227 2231 L C 0.894 177.783 176.870 0.032 0.000 1.127 2231 L CA 0.513 55.258 54.840 -0.157 0.000 0.884 2231 L CB -0.296 41.427 42.059 -0.560 0.000 1.065 2231 L HN 0.639 nan 8.230 nan 0.000 0.457 2232 S N -0.818 114.906 115.700 0.040 0.000 2.537 2232 S HA 0.250 4.721 4.470 0.001 0.000 0.270 2232 S C -0.835 173.789 174.600 0.039 0.000 1.142 2232 S CA -0.676 57.583 58.200 0.098 0.000 0.870 2232 S CB 1.105 64.417 63.200 0.186 0.000 1.112 2232 S HN 0.255 nan 8.310 nan 0.000 0.466 2233 D N 1.755 122.182 120.400 0.046 0.000 2.706 2233 D HA -0.196 4.444 4.640 0.001 0.000 0.230 2233 D C 1.190 177.471 176.300 -0.032 0.000 1.184 2233 D CA 1.020 55.028 54.000 0.014 0.000 0.628 2233 D CB -1.101 39.701 40.800 0.003 0.000 1.019 2233 D HN 0.681 nan 8.370 nan 0.000 0.415 2234 A N -0.337 122.456 122.820 -0.044 0.000 1.933 2234 A HA -0.179 4.142 4.320 0.001 0.000 0.218 2234 A C 2.361 179.909 177.584 -0.061 0.000 1.175 2234 A CA 1.780 53.766 52.037 -0.086 0.000 0.628 2234 A CB -0.132 18.817 19.000 -0.085 0.000 0.814 2234 A HN 0.318 nan 8.150 nan 0.000 0.444 2235 S N -0.799 114.883 115.700 -0.030 0.000 2.474 2235 S HA -0.068 4.403 4.470 0.001 0.000 0.235 2235 S C 1.755 176.345 174.600 -0.017 0.000 0.997 2235 S CA 1.631 59.821 58.200 -0.017 0.000 0.949 2235 S CB -0.233 62.971 63.200 0.006 0.000 0.766 2235 S HN 0.906 nan 8.310 nan 0.000 0.517 2236 T N -1.746 112.790 114.554 -0.030 0.000 2.975 2236 T HA 0.250 4.601 4.350 0.001 0.000 0.257 2236 T C 0.350 175.015 174.700 -0.059 0.000 1.003 2236 T CA -0.324 61.754 62.100 -0.037 0.000 0.932 2236 T CB 0.031 68.869 68.868 -0.051 0.000 1.087 2236 T HN 0.136 nan 8.240 nan 0.000 0.512 2237 Q N 1.320 121.081 119.800 -0.065 0.000 2.311 2237 Q HA 0.369 4.710 4.340 0.001 0.000 0.272 2237 Q C -0.801 175.176 176.000 -0.039 0.000 1.012 2237 Q CA -0.492 55.276 55.803 -0.058 0.000 0.891 2237 Q CB 1.082 29.795 28.738 -0.042 0.000 1.201 2237 Q HN 0.298 nan 8.270 nan 0.000 0.391 2238 L N 5.791 126.990 121.223 -0.041 0.000 2.367 2238 L HA 0.246 4.586 4.340 0.001 0.000 0.275 2238 L C -2.345 174.515 176.870 -0.017 0.000 1.129 2238 L CA -1.468 53.350 54.840 -0.036 0.000 0.839 2238 L CB 0.630 42.656 42.059 -0.055 0.000 1.133 2238 L HN 0.398 nan 8.230 nan 0.000 0.453 2239 P HA 0.014 nan 4.420 nan 0.000 0.267 2239 P C 0.955 178.250 177.300 -0.010 0.000 1.205 2239 P CA 0.048 63.150 63.100 0.003 0.000 0.765 2239 P CB 0.608 32.305 31.700 -0.005 0.000 0.828 2240 L N 2.832 124.055 121.223 -0.001 0.000 2.051 2240 L HA -0.282 4.058 4.340 0.001 0.000 0.214 2240 L C 2.138 178.995 176.870 -0.021 0.000 1.076 2240 L CA 2.511 57.340 54.840 -0.019 0.000 0.758 2240 L CB -0.668 41.375 42.059 -0.026 0.000 0.890 2240 L HN 0.463 nan 8.230 nan 0.000 0.433 2241 S N -1.379 114.311 115.700 -0.016 0.000 2.440 2241 S HA -0.261 4.210 4.470 0.001 0.000 0.238 2241 S C 1.629 176.215 174.600 -0.022 0.000 1.010 2241 S CA 1.115 59.306 58.200 -0.016 0.000 0.972 2241 S CB -0.289 62.904 63.200 -0.011 0.000 0.774 2241 S HN 0.577 nan 8.310 nan 0.000 0.501 2242 Q N -0.256 119.522 119.800 -0.038 0.000 2.392 2242 Q HA 0.313 4.654 4.340 0.001 0.000 0.203 2242 Q C 1.752 177.700 176.000 -0.087 0.000 0.917 2242 Q CA 0.008 55.770 55.803 -0.068 0.000 0.939 2242 Q CB -0.095 28.589 28.738 -0.089 0.000 1.063 2242 Q HN 0.449 nan 8.270 nan 0.000 0.516 2243 L N 1.414 122.607 121.223 -0.050 0.000 2.017 2243 L HA -0.207 4.134 4.340 0.001 0.000 0.208 2243 L C 2.177 179.051 176.870 0.006 0.000 1.073 2243 L CA 1.940 56.761 54.840 -0.032 0.000 0.745 2243 L CB -0.340 41.718 42.059 -0.003 0.000 0.894 2243 L HN 0.209 nan 8.230 nan 0.000 0.432 2244 E N -0.950 119.282 120.200 0.053 0.000 2.058 2244 E HA -0.221 4.130 4.350 0.001 0.000 0.194 2244 E C 2.070 178.728 176.600 0.097 0.000 0.997 2244 E CA 1.249 57.739 56.400 0.150 0.000 0.801 2244 E CB -0.502 29.290 29.700 0.154 0.000 0.746 2244 E HN 0.616 nan 8.360 nan 0.000 0.450 2245 G N 1.199 110.012 108.800 0.021 0.000 2.440 2245 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 2245 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 2245 G C 1.604 176.448 174.900 -0.093 0.000 1.154 2245 G CA 0.890 45.983 45.100 -0.011 0.000 0.767 2245 G HN 0.264 nan 8.290 nan 0.000 0.552 2246 I N 0.341 120.774 120.570 -0.229 0.000 2.315 2246 I HA -0.072 4.098 4.170 0.001 0.000 0.248 2246 I C 2.628 178.673 176.117 -0.121 0.000 1.117 2246 I CA 0.604 61.692 61.300 -0.353 0.000 1.404 2246 I CB -0.156 37.566 38.000 -0.463 0.000 1.071 2246 I HN 0.164 nan 8.210 nan 0.000 0.419 2247 I N 0.646 121.145 120.570 -0.118 0.000 2.179 2247 I HA -0.281 3.889 4.170 0.001 0.000 0.242 2247 I C 2.634 178.580 176.117 -0.286 0.000 1.088 2247 I CA 1.331 62.512 61.300 -0.199 0.000 1.357 2247 I CB -0.318 37.512 38.000 -0.284 0.000 1.051 2247 I HN 0.211 nan 8.210 nan 0.000 0.409 2248 E N 1.629 121.703 120.200 -0.211 0.000 2.085 2248 E HA -0.227 4.124 4.350 0.001 0.000 0.194 2248 E C 2.062 178.653 176.600 -0.017 0.000 0.994 2248 E CA 1.873 58.224 56.400 -0.081 0.000 0.801 2248 E CB -0.216 29.564 29.700 0.135 0.000 0.743 2248 E HN 0.413 nan 8.360 nan 0.000 0.453 2249 A N 1.243 124.091 122.820 0.047 0.000 1.883 2249 A HA -0.161 4.160 4.320 0.001 0.000 0.217 2249 A C 2.413 180.044 177.584 0.078 0.000 1.186 2249 A CA 1.987 54.105 52.037 0.135 0.000 0.624 2249 A CB -1.092 18.141 19.000 0.388 0.000 0.822 2249 A HN 0.543 nan 8.150 nan 0.000 0.444 2250 I N -2.710 117.892 120.570 0.055 0.000 2.493 2250 I HA -0.125 4.046 4.170 0.001 0.000 0.254 2250 I C 2.048 178.069 176.117 -0.160 0.000 1.160 2250 I CA 1.133 62.425 61.300 -0.014 0.000 1.445 2250 I CB -0.433 37.585 38.000 0.030 0.000 1.086 2250 I HN 0.208 nan 8.210 nan 0.000 0.433 2251 L N 1.101 122.212 121.223 -0.187 0.000 2.093 2251 L HA -0.112 4.228 4.340 0.001 0.000 0.208 2251 L C 2.676 179.468 176.870 -0.130 0.000 1.085 2251 L CA 1.470 56.176 54.840 -0.224 0.000 0.755 2251 L CB -0.560 41.383 42.059 -0.193 0.000 0.904 2251 L HN 0.273 nan 8.230 nan 0.000 0.435 2252 E N 0.377 120.537 120.200 -0.067 0.000 2.072 2252 E HA -0.195 4.155 4.350 0.001 0.000 0.191 2252 E C 2.271 178.842 176.600 -0.048 0.000 0.985 2252 E CA 1.168 57.546 56.400 -0.036 0.000 0.801 2252 E CB -0.064 29.635 29.700 -0.001 0.000 0.750 2252 E HN 0.461 nan 8.360 nan 0.000 0.452 2253 I N 0.840 121.381 120.570 -0.048 0.000 2.252 2253 I HA -0.257 3.914 4.170 0.001 0.000 0.245 2253 I C 2.733 178.816 176.117 -0.057 0.000 1.102 2253 I CA 0.973 62.246 61.300 -0.044 0.000 1.385 2253 I CB -0.237 37.742 38.000 -0.034 0.000 1.064 2253 I HN 0.035 nan 8.210 nan 0.000 0.414 2254 R N 1.106 121.550 120.500 -0.094 0.000 2.081 2254 R HA -0.225 4.116 4.340 0.001 0.000 0.235 2254 R C 2.360 178.575 176.300 -0.143 0.000 1.131 2254 R CA 1.605 57.645 56.100 -0.099 0.000 0.960 2254 R CB -0.275 29.877 30.300 -0.248 0.000 0.856 2254 R HN 0.241 nan 8.270 nan 0.000 0.436 2255 E N 0.332 120.455 120.200 -0.128 0.000 2.070 2255 E HA -0.171 4.179 4.350 0.001 0.000 0.197 2255 E C 1.865 178.387 176.600 -0.129 0.000 1.004 2255 E CA 1.839 58.169 56.400 -0.117 0.000 0.805 2255 E CB -0.024 29.631 29.700 -0.075 0.000 0.744 2255 E HN 0.296 nan 8.360 nan 0.000 0.451 2256 V N 0.921 120.778 119.914 -0.094 0.000 2.346 2256 V HA -0.153 3.967 4.120 0.001 0.000 0.244 2256 V C 2.552 178.606 176.094 -0.067 0.000 1.037 2256 V CA 1.652 63.913 62.300 -0.064 0.000 1.029 2256 V CB -0.813 31.000 31.823 -0.017 0.000 0.663 2256 V HN 0.336 nan 8.190 nan 0.000 0.454 2257 A N 0.886 123.659 122.820 -0.079 0.000 1.969 2257 A HA -0.178 4.143 4.320 0.001 0.000 0.218 2257 A C 2.507 179.809 177.584 -0.470 0.000 1.169 2257 A CA 1.910 53.912 52.037 -0.058 0.000 0.635 2257 A CB -0.748 18.276 19.000 0.040 0.000 0.810 2257 A HN 0.683 nan 8.150 nan 0.000 0.445 2258 S N 0.413 115.597 115.700 -0.861 0.000 2.420 2258 S HA -0.283 4.188 4.470 0.001 0.000 0.237 2258 S C 1.846 175.959 174.600 -0.812 0.000 1.023 2258 S CA 1.713 59.023 58.200 -1.482 0.000 0.991 2258 S CB -0.479 62.291 63.200 -0.716 0.000 0.792 2258 S HN 0.674 nan 8.310 nan 0.000 0.488 2259 K N 0.462 120.518 120.400 -0.574 0.000 2.211 2259 K HA -0.139 4.182 4.320 0.001 0.000 0.204 2259 K C 0.831 177.032 176.600 -0.666 0.000 1.047 2259 K CA 1.448 57.366 56.287 -0.616 0.000 0.935 2259 K CB -0.240 31.783 32.500 -0.795 0.000 0.728 2259 K HN 0.655 nan 8.250 nan 0.000 0.452 2260 Y N -0.835 119.354 120.300 -0.186 0.000 2.458 2260 Y HA 0.144 4.695 4.550 0.001 0.000 0.256 2260 Y C -0.296 175.649 175.900 0.076 0.000 1.159 2260 Y CA -1.000 57.069 58.100 -0.052 0.000 1.261 2260 Y CB 0.200 38.640 38.460 -0.034 0.000 1.119 2260 Y HN -0.135 nan 8.280 nan 0.000 0.524 2261 Y N 2.160 122.500 120.300 0.066 0.000 2.632 2261 Y HA 0.081 4.632 4.550 0.001 0.000 0.329 2261 Y C 0.726 176.643 175.900 0.029 0.000 1.174 2261 Y CA -1.037 57.089 58.100 0.043 0.000 1.469 2261 Y CB -0.082 38.391 38.460 0.022 0.000 1.242 2261 Y HN 0.132 nan 8.280 nan 0.000 0.540 2262 E N 0.715 121.022 120.200 0.179 0.000 2.398 2262 E HA 0.129 4.479 4.350 0.001 0.000 0.263 2262 E C -0.128 176.512 176.600 0.066 0.000 1.046 2262 E CA -0.015 56.441 56.400 0.094 0.000 0.908 2262 E CB 0.306 30.040 29.700 0.056 0.000 0.963 2262 E HN 0.430 nan 8.360 nan 0.000 0.431 2263 T N 3.629 118.209 114.554 0.044 0.000 2.834 2263 T HA 0.219 4.569 4.350 0.001 0.000 0.298 2263 T C 0.837 175.540 174.700 0.004 0.000 0.966 2263 T CA -0.194 61.923 62.100 0.027 0.000 1.141 2263 T CB -0.195 68.685 68.868 0.021 0.000 0.905 2263 T HN 0.546 nan 8.240 nan 0.000 0.535 2264 I N 0.000 120.565 120.570 -0.008 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 2264 I CB 0.000 37.982 38.000 -0.029 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494