REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1rxs_1_I DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNXXX XXXXXSHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.591 174.600 -0.015 0.000 1.055 2004 S CA 0.000 58.183 58.200 -0.029 0.000 1.107 2004 S CB 0.000 63.159 63.200 -0.069 0.000 0.593 2005 D N 1.426 121.824 120.400 -0.004 0.000 2.333 2005 D HA 0.155 4.795 4.640 -0.000 0.000 0.208 2005 D C 0.963 177.277 176.300 0.023 0.000 0.984 2005 D CA 1.351 55.357 54.000 0.010 0.000 0.873 2005 D CB 0.570 41.377 40.800 0.012 0.000 0.935 2005 D HN 0.596 nan 8.370 nan 0.000 0.521 2006 V N -2.157 117.766 119.914 0.015 0.000 2.864 2006 V HA 0.381 4.501 4.120 -0.000 0.000 0.314 2006 V C 0.825 176.937 176.094 0.030 0.000 1.073 2006 V CA -1.033 61.292 62.300 0.041 0.000 0.956 2006 V CB 1.738 33.580 31.823 0.031 0.000 1.023 2006 V HN -0.100 nan 8.190 nan 0.000 0.435 2007 F N 0.904 120.804 119.950 -0.083 0.000 2.325 2007 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 2007 F C 1.813 177.409 175.800 -0.340 0.000 1.090 2007 F CA 2.208 60.082 58.000 -0.210 0.000 1.392 2007 F CB 0.199 39.050 39.000 -0.249 0.000 1.053 2007 F HN 0.838 nan 8.300 nan 0.000 0.521 2008 H N -1.447 117.521 119.070 -0.169 0.000 2.501 2008 H HA 0.232 4.788 4.556 -0.000 0.000 0.281 2008 H C 1.912 177.130 175.328 -0.183 0.000 0.988 2008 H CA 0.756 56.673 56.048 -0.218 0.000 1.232 2008 H CB -0.063 29.609 29.762 -0.151 0.000 1.455 2008 H HN 0.073 nan 8.280 nan 0.000 0.501 2009 L N 0.014 121.195 121.223 -0.070 0.000 2.395 2009 L HA 0.132 4.472 4.340 -0.000 0.000 0.218 2009 L C 0.977 177.906 176.870 0.098 0.000 1.130 2009 L CA 0.602 55.441 54.840 -0.001 0.000 0.826 2009 L CB -0.330 41.694 42.059 -0.058 0.000 0.941 2009 L HN 0.505 nan 8.230 nan 0.000 0.451 2010 G N 1.520 110.284 108.800 -0.059 0.000 2.338 2010 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.296 2010 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.296 2010 G C -0.215 174.711 174.900 0.044 0.000 1.040 2010 G CA 0.190 45.254 45.100 -0.059 0.000 1.004 2010 G HN 0.268 nan 8.290 nan 0.000 0.509 2011 L N -0.471 120.761 121.223 0.016 0.000 2.333 2011 L HA 0.879 5.219 4.340 -0.000 0.000 0.263 2011 L C 0.654 177.528 176.870 0.007 0.000 1.014 2011 L CA -0.672 54.180 54.840 0.020 0.000 0.820 2011 L CB 2.467 44.542 42.059 0.027 0.000 1.352 2011 L HN 0.364 nan 8.230 nan 0.000 0.421 2012 T N -3.755 110.802 114.554 0.005 0.000 2.932 2012 T HA 0.331 4.681 4.350 -0.000 0.000 0.289 2012 T C 0.673 175.376 174.700 0.005 0.000 1.039 2012 T CA -0.885 61.217 62.100 0.003 0.000 1.024 2012 T CB 2.176 71.043 68.868 -0.000 0.000 1.090 2012 T HN 0.483 nan 8.240 nan 0.000 0.496 2013 K N 0.730 121.133 120.400 0.006 0.000 2.089 2013 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 2013 K C 1.907 178.507 176.600 0.001 0.000 1.048 2013 K CA 1.598 57.888 56.287 0.005 0.000 0.926 2013 K CB -0.395 32.108 32.500 0.005 0.000 0.714 2013 K HN 0.691 nan 8.250 nan 0.000 0.448 2014 N N 0.895 119.594 118.700 -0.001 0.000 2.188 2014 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 2014 N C 1.112 176.618 175.510 -0.006 0.000 1.018 2014 N CA 1.013 54.061 53.050 -0.004 0.000 0.858 2014 N CB 0.029 38.513 38.487 -0.005 0.000 0.989 2014 N HN 0.178 nan 8.380 nan 0.000 0.426 2015 D N 0.797 121.194 120.400 -0.006 0.000 2.182 2015 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 2015 D C 1.860 178.155 176.300 -0.007 0.000 0.986 2015 D CA 0.658 54.652 54.000 -0.010 0.000 0.847 2015 D CB -0.023 40.772 40.800 -0.008 0.000 0.942 2015 D HN 0.245 nan 8.370 nan 0.000 0.467 2016 L N 0.084 121.305 121.223 -0.003 0.000 2.240 2016 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 2016 L C 0.919 177.786 176.870 -0.006 0.000 1.106 2016 L CA 0.749 55.587 54.840 -0.003 0.000 0.793 2016 L CB -0.354 41.703 42.059 -0.005 0.000 0.927 2016 L HN 0.021 nan 8.230 nan 0.000 0.446 2017 Q N -0.599 119.197 119.800 -0.006 0.000 2.468 2017 Q HA -0.270 4.070 4.340 -0.000 0.000 0.289 2017 Q C 1.042 177.037 176.000 -0.008 0.000 1.299 2017 Q CA 0.336 56.136 55.803 -0.006 0.000 0.838 2017 Q CB -1.636 27.099 28.738 -0.006 0.000 1.195 2017 Q HN 0.643 nan 8.270 nan 0.000 0.456 2018 G N -2.255 106.539 108.800 -0.009 0.000 2.176 2018 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.253 2018 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.253 2018 G C 0.282 175.171 174.900 -0.019 0.000 0.979 2018 G CA 0.117 45.210 45.100 -0.012 0.000 0.641 2018 G HN 1.209 nan 8.290 nan 0.000 0.530 2019 A N 0.355 123.162 122.820 -0.022 0.000 2.565 2019 A HA 0.546 4.866 4.320 -0.000 0.000 0.237 2019 A C 1.485 179.036 177.584 -0.054 0.000 1.053 2019 A CA 1.994 54.011 52.037 -0.034 0.000 0.755 2019 A CB 0.171 19.153 19.000 -0.031 0.000 0.980 2019 A HN 1.716 nan 8.150 nan 0.000 0.506 2020 T N 0.042 114.553 114.554 -0.072 0.000 3.058 2020 T HA 0.402 4.752 4.350 -0.000 0.000 0.278 2020 T C 0.037 174.636 174.700 -0.169 0.000 0.974 2020 T CA 0.041 62.080 62.100 -0.102 0.000 0.893 2020 T CB -0.461 68.365 68.868 -0.069 0.000 1.138 2020 T HN 0.557 nan 8.240 nan 0.000 0.529 2021 L N 1.809 122.938 121.223 -0.157 0.000 2.362 2021 L HA 0.876 5.216 4.340 -0.000 0.000 0.275 2021 L C -1.280 175.473 176.870 -0.195 0.000 0.998 2021 L CA -0.968 53.754 54.840 -0.197 0.000 0.820 2021 L CB 1.785 43.775 42.059 -0.116 0.000 1.270 2021 L HN 0.218 nan 8.230 nan 0.000 0.415 2022 A N 5.879 128.533 122.820 -0.277 0.000 2.343 2022 A HA 0.657 4.977 4.320 -0.000 0.000 0.308 2022 A C -0.836 176.723 177.584 -0.041 0.000 1.092 2022 A CA -0.534 51.416 52.037 -0.144 0.000 0.751 2022 A CB 0.895 19.807 19.000 -0.148 0.000 1.203 2022 A HN 0.688 nan 8.150 nan 0.000 0.452 2023 I N 2.741 123.315 120.570 0.007 0.000 2.396 2023 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 2023 I C 0.000 176.163 176.117 0.076 0.000 1.056 2023 I CA -0.257 61.066 61.300 0.038 0.000 1.365 2023 I CB 1.473 39.485 38.000 0.021 0.000 1.407 2023 I HN 0.455 nan 8.210 nan 0.000 0.509 2024 V N 6.213 126.189 119.914 0.103 0.000 2.266 2024 V HA 0.497 4.617 4.120 -0.000 0.000 0.271 2024 V C -2.425 173.719 176.094 0.084 0.000 1.032 2024 V CA -1.918 60.456 62.300 0.122 0.000 0.806 2024 V CB 0.264 32.197 31.823 0.183 0.000 1.052 2024 V HN 0.463 nan 8.190 nan 0.000 0.449 2025 P HA 0.307 nan 4.420 nan 0.000 0.276 2025 P C 0.922 178.249 177.300 0.046 0.000 1.261 2025 P CA 0.260 63.385 63.100 0.041 0.000 0.800 2025 P CB 1.759 33.471 31.700 0.020 0.000 1.066 2026 G N -0.501 108.315 108.800 0.027 0.000 2.459 2026 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.213 2026 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.213 2026 G C 0.198 175.099 174.900 0.002 0.000 1.155 2026 G CA 0.407 45.518 45.100 0.019 0.000 0.811 2026 G HN 0.527 nan 8.290 nan 0.000 0.534 2027 D N 0.219 120.615 120.400 -0.006 0.000 2.274 2027 D HA 0.310 4.950 4.640 -0.000 0.000 0.239 2027 D C -1.284 175.008 176.300 -0.013 0.000 1.104 2027 D CA -2.552 51.436 54.000 -0.021 0.000 0.840 2027 D CB 2.143 42.927 40.800 -0.027 0.000 1.100 2027 D HN -0.079 nan 8.370 nan 0.000 0.477 2028 P HA -0.135 nan 4.420 nan 0.000 0.216 2028 P C 0.499 177.799 177.300 0.001 0.000 1.150 2028 P CA 1.051 64.156 63.100 0.009 0.000 0.843 2028 P CB 0.307 32.006 31.700 -0.002 0.000 0.787 2029 D N -0.877 119.511 120.400 -0.019 0.000 2.348 2029 D HA -0.112 4.528 4.640 -0.000 0.000 0.216 2029 D C 1.878 178.140 176.300 -0.064 0.000 0.970 2029 D CA 0.638 54.619 54.000 -0.033 0.000 0.889 2029 D CB -0.185 40.597 40.800 -0.031 0.000 0.912 2029 D HN 0.363 nan 8.370 nan 0.000 0.524 2030 R N 0.397 120.860 120.500 -0.062 0.000 2.334 2030 R HA 0.091 4.431 4.340 -0.000 0.000 0.216 2030 R C 1.497 177.725 176.300 -0.120 0.000 0.905 2030 R CA 0.161 56.212 56.100 -0.082 0.000 1.064 2030 R CB -0.036 30.232 30.300 -0.053 0.000 1.046 2030 R HN -0.154 nan 8.270 nan 0.000 0.508 2031 V N 1.670 121.510 119.914 -0.124 0.000 2.261 2031 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 2031 V C 2.392 178.220 176.094 -0.443 0.000 1.047 2031 V CA 2.345 64.545 62.300 -0.167 0.000 1.015 2031 V CB -0.563 31.241 31.823 -0.031 0.000 0.642 2031 V HN 0.585 nan 8.190 nan 0.000 0.446 2032 E N 0.293 120.066 120.200 -0.711 0.000 2.085 2032 E HA -0.323 4.027 4.350 -0.000 0.000 0.194 2032 E C 2.165 178.358 176.600 -0.678 0.000 0.994 2032 E CA 1.835 57.501 56.400 -1.222 0.000 0.801 2032 E CB -0.135 28.985 29.700 -0.966 0.000 0.743 2032 E HN 0.498 nan 8.360 nan 0.000 0.453 2033 K N 0.317 120.489 120.400 -0.381 0.000 2.032 2033 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 2033 K C 2.059 178.545 176.600 -0.191 0.000 1.048 2033 K CA 1.782 57.929 56.287 -0.232 0.000 0.927 2033 K CB -0.160 32.250 32.500 -0.150 0.000 0.712 2033 K HN 0.230 nan 8.250 nan 0.000 0.441 2034 I N 0.128 120.590 120.570 -0.179 0.000 2.163 2034 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 2034 I C 2.308 178.355 176.117 -0.117 0.000 1.081 2034 I CA 1.173 62.403 61.300 -0.117 0.000 1.353 2034 I CB -0.427 37.525 38.000 -0.080 0.000 1.054 2034 I HN 0.179 nan 8.210 nan 0.000 0.407 2035 A N 0.956 123.672 122.820 -0.173 0.000 1.917 2035 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 2035 A C 2.491 180.023 177.584 -0.087 0.000 1.182 2035 A CA 2.148 54.121 52.037 -0.106 0.000 0.633 2035 A CB -0.978 17.945 19.000 -0.128 0.000 0.819 2035 A HN 0.471 nan 8.150 nan 0.000 0.448 2036 A N -0.651 122.068 122.820 -0.170 0.000 2.131 2036 A HA 0.032 4.352 4.320 -0.000 0.000 0.220 2036 A C 1.903 179.455 177.584 -0.053 0.000 1.158 2036 A CA 1.307 53.283 52.037 -0.103 0.000 0.665 2036 A CB -0.560 18.355 19.000 -0.142 0.000 0.795 2036 A HN 0.512 nan 8.150 nan 0.000 0.460 2037 L N -1.462 119.730 121.223 -0.053 0.000 2.599 2037 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 2037 L C 1.042 177.904 176.870 -0.014 0.000 1.141 2037 L CA 0.029 54.851 54.840 -0.030 0.000 0.877 2037 L CB -0.359 41.682 42.059 -0.030 0.000 1.009 2037 L HN 0.434 nan 8.230 nan 0.000 0.447 2038 M N -1.722 117.874 119.600 -0.006 0.000 2.826 2038 M HA 0.328 4.808 4.480 -0.000 0.000 0.288 2038 M C -0.714 175.598 176.300 0.021 0.000 1.141 2038 M CA -0.819 54.486 55.300 0.008 0.000 0.816 2038 M CB 1.246 33.855 32.600 0.014 0.000 1.704 2038 M HN -0.183 nan 8.290 nan 0.000 0.497 2039 D N 1.203 121.618 120.400 0.026 0.000 2.253 2039 D HA 0.200 4.840 4.640 -0.000 0.000 0.249 2039 D C -0.520 175.808 176.300 0.048 0.000 1.049 2039 D CA -0.134 53.885 54.000 0.031 0.000 0.929 2039 D CB 0.878 41.690 40.800 0.021 0.000 1.176 2039 D HN 0.439 nan 8.370 nan 0.000 0.437 2040 K N -0.325 120.106 120.400 0.051 0.000 3.278 2040 K HA -0.133 4.187 4.320 -0.000 0.000 0.270 2040 K C -2.321 174.339 176.600 0.099 0.000 0.955 2040 K CA 0.130 56.454 56.287 0.061 0.000 0.723 2040 K CB -1.566 30.958 32.500 0.039 0.000 1.382 2040 K HN 0.385 nan 8.250 nan 0.000 0.461 2041 P HA 0.168 nan 4.420 nan 0.000 0.271 2041 P C -0.263 177.231 177.300 0.324 0.000 1.220 2041 P CA -0.090 63.190 63.100 0.301 0.000 0.768 2041 P CB 1.205 33.098 31.700 0.323 0.000 0.848 2042 V N 3.975 124.024 119.914 0.226 0.000 2.668 2042 V HA 0.234 4.354 4.120 -0.000 0.000 0.304 2042 V C 0.302 175.997 176.094 -0.666 0.000 1.071 2042 V CA -0.866 61.318 62.300 -0.193 0.000 0.894 2042 V CB 2.182 33.939 31.823 -0.110 0.000 1.008 2042 V HN 0.493 nan 8.190 nan 0.000 0.425 2043 K N 3.748 123.268 120.400 -1.468 0.000 2.379 2043 K HA 0.377 4.697 4.320 -0.000 0.000 0.284 2043 K C 0.266 176.464 176.600 -0.669 0.000 1.044 2043 K CA -0.153 55.145 56.287 -1.648 0.000 0.974 2043 K CB 0.762 32.387 32.500 -1.459 0.000 0.962 2043 K HN 0.644 nan 8.250 nan 0.000 0.474 2044 L N 2.646 123.608 121.223 -0.435 0.000 2.349 2044 L HA 0.282 4.622 4.340 -0.000 0.000 0.200 2044 L C 0.492 177.282 176.870 -0.133 0.000 1.064 2044 L CA 0.154 54.874 54.840 -0.200 0.000 0.821 2044 L CB 0.374 42.378 42.059 -0.091 0.000 1.027 2044 L HN 0.727 nan 8.230 nan 0.000 0.476 2045 A N -1.167 121.589 122.820 -0.107 0.000 2.608 2045 A HA 0.616 4.936 4.320 -0.000 0.000 0.292 2045 A C -1.183 176.361 177.584 -0.066 0.000 1.066 2045 A CA -0.291 51.710 52.037 -0.059 0.000 0.676 2045 A CB 1.724 20.773 19.000 0.081 0.000 1.277 2045 A HN -0.149 nan 8.150 nan 0.000 0.413 2046 S N 0.787 116.342 115.700 -0.242 0.000 2.750 2046 S HA 0.645 5.115 4.470 -0.000 0.000 0.276 2046 S C -1.743 172.557 174.600 -0.499 0.000 1.165 2046 S CA -0.467 57.613 58.200 -0.200 0.000 1.047 2046 S CB 0.313 63.439 63.200 -0.122 0.000 1.056 2046 S HN 0.738 nan 8.310 nan 0.000 0.481 2047 H N 3.347 122.488 119.070 0.118 0.000 2.856 2047 H HA 0.504 5.060 4.556 -0.000 0.000 0.355 2047 H C 0.524 175.933 175.328 0.135 0.000 1.079 2047 H CA -0.484 55.633 56.048 0.116 0.000 1.240 2047 H CB 1.596 31.432 29.762 0.123 0.000 1.701 2047 H HN 0.763 nan 8.280 nan 0.000 0.527 2048 R N 0.514 121.106 120.500 0.152 0.000 3.772 2048 R HA -0.243 4.097 4.340 -0.000 0.000 0.480 2048 R C 1.180 177.395 176.300 -0.142 0.000 0.241 2048 R CA 2.018 58.118 56.100 -0.001 0.000 1.508 2048 R CB -0.737 29.566 30.300 0.006 0.000 0.956 2048 R HN 0.765 nan 8.270 nan 0.000 0.583 2049 E N 1.718 121.656 120.200 -0.437 0.000 2.476 2049 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 2049 E C -0.310 176.046 176.600 -0.407 0.000 1.064 2049 E CA 0.559 56.693 56.400 -0.444 0.000 0.866 2049 E CB 0.187 29.585 29.700 -0.503 0.000 0.952 2049 E HN 0.298 nan 8.360 nan 0.000 0.492 2050 F N 1.685 121.678 119.950 0.072 0.000 2.313 2050 F HA 0.333 4.860 4.527 -0.000 0.000 0.369 2050 F C 0.222 176.076 175.800 0.090 0.000 1.109 2050 F CA -0.574 57.478 58.000 0.087 0.000 1.132 2050 F CB 1.591 40.657 39.000 0.110 0.000 1.291 2050 F HN -0.334 nan 8.300 nan 0.000 0.496 2051 T N 2.172 116.870 114.554 0.241 0.000 2.779 2051 T HA 0.516 4.866 4.350 -0.000 0.000 0.280 2051 T C -0.187 174.668 174.700 0.258 0.000 0.987 2051 T CA -0.521 61.706 62.100 0.211 0.000 0.966 2051 T CB 1.140 70.118 68.868 0.183 0.000 0.933 2051 T HN 0.423 nan 8.240 nan 0.000 0.442 2052 T N 3.558 118.258 114.554 0.243 0.000 2.812 2052 T HA 0.484 4.834 4.350 -0.000 0.000 0.282 2052 T C -1.083 173.769 174.700 0.254 0.000 0.990 2052 T CA -0.623 61.616 62.100 0.232 0.000 0.960 2052 T CB 0.665 69.616 68.868 0.139 0.000 0.948 2052 T HN 0.434 nan 8.240 nan 0.000 0.438 2053 W N 1.857 123.174 121.300 0.028 0.000 2.719 2053 W HA 0.681 5.341 4.660 -0.000 0.000 0.352 2053 W C 0.296 176.822 176.519 0.012 0.000 1.085 2053 W CA -1.143 56.212 57.345 0.016 0.000 1.187 2053 W CB 1.194 30.660 29.460 0.011 0.000 1.417 2053 W HN 0.387 nan 8.180 nan 0.000 0.557 2054 R N 1.476 122.094 120.500 0.198 0.000 2.637 2054 R HA 0.862 5.202 4.340 -0.000 0.000 0.291 2054 R C -0.714 175.677 176.300 0.151 0.000 0.963 2054 R CA -0.367 55.808 56.100 0.124 0.000 0.901 2054 R CB 1.478 31.806 30.300 0.046 0.000 1.160 2054 R HN 0.648 nan 8.270 nan 0.000 0.457 2055 A N 2.549 125.434 122.820 0.109 0.000 2.525 2055 A HA 0.513 4.833 4.320 -0.000 0.000 0.291 2055 A C -1.519 176.095 177.584 0.050 0.000 1.268 2055 A CA -0.683 51.409 52.037 0.093 0.000 0.712 2055 A CB 1.723 20.780 19.000 0.096 0.000 1.320 2055 A HN 0.719 nan 8.150 nan 0.000 0.456 2056 E N -0.690 119.533 120.200 0.039 0.000 2.248 2056 E HA 0.588 4.938 4.350 -0.000 0.000 0.267 2056 E C -2.214 174.396 176.600 0.015 0.000 0.877 2056 E CA -0.586 55.828 56.400 0.022 0.000 0.759 2056 E CB 1.965 31.677 29.700 0.020 0.000 1.182 2056 E HN 0.447 nan 8.360 nan 0.000 0.418 2057 L N 4.179 125.406 121.223 0.007 0.000 2.404 2057 L HA 0.328 4.668 4.340 -0.000 0.000 0.272 2057 L C -1.226 175.643 176.870 -0.002 0.000 0.980 2057 L CA -0.121 54.720 54.840 0.001 0.000 0.836 2057 L CB 1.480 43.537 42.059 -0.003 0.000 1.238 2057 L HN 0.616 nan 8.230 nan 0.000 0.408 2058 D N 4.517 124.916 120.400 -0.002 0.000 2.701 2058 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 2058 D C 1.161 177.459 176.300 -0.002 0.000 1.155 2058 D CA 1.601 55.599 54.000 -0.003 0.000 0.649 2058 D CB -0.926 39.870 40.800 -0.006 0.000 1.050 2058 D HN 1.203 nan 8.370 nan 0.000 0.425 2059 G N -0.871 107.929 108.800 0.001 0.000 2.168 2059 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.263 2059 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.263 2059 G C 0.205 175.105 174.900 -0.001 0.000 0.977 2059 G CA 0.711 45.812 45.100 0.001 0.000 0.659 2059 G HN 0.413 nan 8.290 nan 0.000 0.533 2060 K N 0.928 121.327 120.400 -0.002 0.000 2.221 2060 K HA 0.453 4.773 4.320 -0.000 0.000 0.258 2060 K C -2.651 173.947 176.600 -0.003 0.000 0.944 2060 K CA -1.983 54.301 56.287 -0.005 0.000 0.823 2060 K CB 2.809 35.303 32.500 -0.010 0.000 1.113 2060 K HN 0.066 nan 8.250 nan 0.000 0.431 2061 P HA 0.137 nan 4.420 nan 0.000 0.271 2061 P C -0.524 176.773 177.300 -0.006 0.000 1.216 2061 P CA -0.284 62.816 63.100 0.000 0.000 0.771 2061 P CB 0.843 32.542 31.700 -0.002 0.000 0.864 2062 V N 4.657 124.574 119.914 0.004 0.000 2.841 2062 V HA 0.337 4.457 4.120 -0.000 0.000 0.310 2062 V C 0.118 176.222 176.094 0.017 0.000 1.090 2062 V CA -0.801 61.497 62.300 -0.003 0.000 0.930 2062 V CB 2.468 34.290 31.823 -0.001 0.000 1.014 2062 V HN 0.403 nan 8.190 nan 0.000 0.425 2063 I N 4.046 124.619 120.570 0.004 0.000 2.437 2063 I HA 0.494 4.664 4.170 -0.000 0.000 0.298 2063 I C -0.265 175.886 176.117 0.056 0.000 0.984 2063 I CA -0.449 60.874 61.300 0.037 0.000 1.214 2063 I CB 1.882 39.891 38.000 0.016 0.000 1.365 2063 I HN 0.257 nan 8.210 nan 0.000 0.469 2064 V N 5.493 125.471 119.914 0.108 0.000 2.409 2064 V HA 0.397 4.517 4.120 -0.000 0.000 0.291 2064 V C -0.394 175.789 176.094 0.148 0.000 1.020 2064 V CA -0.502 61.861 62.300 0.105 0.000 0.848 2064 V CB 1.984 33.854 31.823 0.077 0.000 0.990 2064 V HN 0.899 nan 8.190 nan 0.000 0.430 2065 C N 5.251 124.634 119.300 0.137 0.000 2.551 2065 C HA 0.721 5.181 4.460 -0.000 0.000 0.332 2065 C C 0.481 175.576 174.990 0.175 0.000 1.139 2065 C CA -0.368 58.754 59.018 0.173 0.000 1.328 2065 C CB 0.979 28.820 27.740 0.170 0.000 1.903 2065 C HN 1.039 nan 8.230 nan 0.000 0.459 2066 S N 3.403 119.216 115.700 0.188 0.000 2.584 2066 S HA 0.407 4.877 4.470 -0.000 0.000 0.273 2066 S C 0.914 175.654 174.600 0.234 0.000 1.311 2066 S CA 0.382 58.676 58.200 0.156 0.000 1.034 2066 S CB 1.379 64.637 63.200 0.096 0.000 0.939 2066 S HN 1.046 nan 8.310 nan 0.000 0.513 2067 T N -0.874 113.777 114.554 0.161 0.000 3.037 2067 T HA 0.513 4.863 4.350 -0.000 0.000 0.251 2067 T C 1.252 175.995 174.700 0.072 0.000 1.079 2067 T CA 0.270 62.489 62.100 0.198 0.000 1.067 2067 T CB -0.969 67.973 68.868 0.123 0.000 0.948 2067 T HN 1.876 nan 8.240 nan 0.000 0.496 2068 G N 1.637 110.417 108.800 -0.032 0.000 2.750 2068 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.228 2068 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.228 2068 G C -0.574 174.301 174.900 -0.042 0.000 1.367 2068 G CA -0.435 44.604 45.100 -0.101 0.000 0.871 2068 G HN 0.635 nan 8.290 nan 0.000 0.560 2069 I N 2.180 122.720 120.570 -0.051 0.000 2.342 2069 I HA 0.544 4.714 4.170 -0.000 0.000 0.291 2069 I C 1.020 177.130 176.117 -0.012 0.000 1.010 2069 I CA 0.844 62.129 61.300 -0.025 0.000 1.308 2069 I CB 0.626 38.605 38.000 -0.035 0.000 1.400 2069 I HN 1.967 nan 8.210 nan 0.000 0.488 2070 G N 3.828 112.630 108.800 0.004 0.000 2.617 2070 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.686 2070 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.686 2070 G C 0.521 175.428 174.900 0.012 0.000 1.214 2070 G CA -0.509 44.595 45.100 0.007 0.000 0.796 2070 G HN 0.915 nan 8.290 nan 0.000 0.654 2071 G N 0.935 109.740 108.800 0.008 0.000 2.574 2071 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.220 2071 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.220 2071 G C 0.173 175.083 174.900 0.017 0.000 1.173 2071 G CA 2.359 47.464 45.100 0.008 0.000 0.772 2071 G HN 0.721 nan 8.290 nan 0.000 0.585 2072 P HA -0.130 nan 4.420 nan 0.000 0.213 2072 P C 2.502 179.835 177.300 0.055 0.000 1.170 2072 P CA 2.590 65.698 63.100 0.012 0.000 0.902 2072 P CB -0.305 31.394 31.700 -0.001 0.000 0.789 2073 S N -1.991 113.753 115.700 0.073 0.000 2.383 2073 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 2073 S C 1.968 176.709 174.600 0.235 0.000 1.026 2073 S CA 1.794 60.103 58.200 0.183 0.000 0.981 2073 S CB -2.007 61.238 63.200 0.075 0.000 0.818 2073 S HN 0.091 nan 8.310 nan 0.000 0.472 2074 T N 3.146 117.773 114.554 0.121 0.000 2.665 2074 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 2074 T C 2.356 177.063 174.700 0.012 0.000 1.035 2074 T CA 2.095 64.237 62.100 0.071 0.000 1.151 2074 T CB -0.833 68.045 68.868 0.015 0.000 0.862 2074 T HN 0.804 nan 8.240 nan 0.000 0.438 2075 S N 1.258 116.972 115.700 0.023 0.000 2.382 2075 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 2075 S C 2.089 176.700 174.600 0.019 0.000 1.027 2075 S CA 0.941 59.161 58.200 0.033 0.000 0.991 2075 S CB -0.804 62.511 63.200 0.193 0.000 0.823 2075 S HN 0.519 nan 8.310 nan 0.000 0.469 2076 I N 2.348 122.921 120.570 0.004 0.000 2.142 2076 I HA -0.164 4.006 4.170 -0.000 0.000 0.240 2076 I C 3.161 179.163 176.117 -0.191 0.000 1.078 2076 I CA 1.240 62.477 61.300 -0.105 0.000 1.343 2076 I CB -0.819 37.044 38.000 -0.228 0.000 1.046 2076 I HN 0.448 nan 8.210 nan 0.000 0.405 2077 A N 0.494 123.199 122.820 -0.192 0.000 1.865 2077 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 2077 A C 2.424 179.972 177.584 -0.059 0.000 1.191 2077 A CA 2.085 54.018 52.037 -0.174 0.000 0.623 2077 A CB -1.085 17.944 19.000 0.048 0.000 0.826 2077 A HN 0.250 nan 8.150 nan 0.000 0.444 2078 V N 0.170 120.012 119.914 -0.119 0.000 2.295 2078 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 2078 V C 2.632 178.640 176.094 -0.144 0.000 1.049 2078 V CA 2.486 64.606 62.300 -0.300 0.000 1.024 2078 V CB -0.821 30.625 31.823 -0.629 0.000 0.648 2078 V HN 0.763 nan 8.190 nan 0.000 0.447 2079 E N 0.964 121.106 120.200 -0.096 0.000 2.058 2079 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 2079 E C 2.085 178.707 176.600 0.037 0.000 0.997 2079 E CA 2.085 58.480 56.400 -0.009 0.000 0.801 2079 E CB -0.310 29.419 29.700 0.049 0.000 0.746 2079 E HN 0.685 nan 8.360 nan 0.000 0.450 2080 E N -0.301 119.910 120.200 0.019 0.000 2.152 2080 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 2080 E C 2.248 178.884 176.600 0.060 0.000 0.983 2080 E CA 0.709 57.129 56.400 0.033 0.000 0.818 2080 E CB -0.069 29.629 29.700 -0.004 0.000 0.758 2080 E HN 0.300 nan 8.360 nan 0.000 0.467 2081 L N 0.609 121.893 121.223 0.103 0.000 2.093 2081 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 2081 L C 2.562 179.544 176.870 0.187 0.000 1.085 2081 L CA 0.913 55.851 54.840 0.163 0.000 0.755 2081 L CB -0.387 41.853 42.059 0.301 0.000 0.904 2081 L HN 0.141 nan 8.230 nan 0.000 0.435 2082 A N -0.568 122.409 122.820 0.262 0.000 1.902 2082 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 2082 A C 2.209 179.858 177.584 0.109 0.000 1.181 2082 A CA 1.457 53.626 52.037 0.219 0.000 0.623 2082 A CB -0.450 18.669 19.000 0.197 0.000 0.818 2082 A HN 0.454 nan 8.150 nan 0.000 0.443 2083 Q N -1.153 118.698 119.800 0.085 0.000 2.135 2083 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 2083 Q C 1.545 177.573 176.000 0.046 0.000 0.981 2083 Q CA 1.060 56.898 55.803 0.058 0.000 0.856 2083 Q CB -0.195 28.574 28.738 0.053 0.000 0.902 2083 Q HN 0.472 nan 8.270 nan 0.000 0.425 2084 L N -1.530 119.721 121.223 0.047 0.000 2.492 2084 L HA 0.068 4.408 4.340 -0.000 0.000 0.223 2084 L C 1.425 178.306 176.870 0.017 0.000 1.132 2084 L CA 1.714 56.572 54.840 0.029 0.000 0.850 2084 L CB -0.084 41.992 42.059 0.028 0.000 0.966 2084 L HN 0.403 nan 8.230 nan 0.000 0.454 2085 G N -1.722 107.091 108.800 0.021 0.000 2.227 2085 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.168 2085 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.168 2085 G C 0.315 175.197 174.900 -0.029 0.000 1.006 2085 G CA -0.469 44.633 45.100 0.003 0.000 0.684 2085 G HN 0.049 nan 8.290 nan 0.000 0.489 2086 I N 1.085 121.624 120.570 -0.052 0.000 2.648 2086 I HA 0.311 4.481 4.170 -0.000 0.000 0.284 2086 I C 1.301 177.315 176.117 -0.171 0.000 1.153 2086 I CA 0.319 61.494 61.300 -0.207 0.000 1.426 2086 I CB 0.956 38.711 38.000 -0.407 0.000 1.381 2086 I HN 0.091 nan 8.210 nan 0.000 0.571 2087 R N 2.819 123.185 120.500 -0.224 0.000 2.517 2087 R HA 0.200 4.540 4.340 -0.000 0.000 0.265 2087 R C -0.291 175.962 176.300 -0.078 0.000 0.921 2087 R CA 0.198 56.259 56.100 -0.065 0.000 1.054 2087 R CB 0.651 30.937 30.300 -0.023 0.000 1.340 2087 R HN 0.557 nan 8.270 nan 0.000 0.551 2088 T N 1.013 115.385 114.554 -0.303 0.000 2.879 2088 T HA 0.578 4.928 4.350 -0.000 0.000 0.290 2088 T C -1.044 173.414 174.700 -0.404 0.000 0.993 2088 T CA -0.298 61.694 62.100 -0.180 0.000 0.975 2088 T CB 1.384 70.187 68.868 -0.108 0.000 0.981 2088 T HN -0.153 nan 8.240 nan 0.000 0.439 2089 F N 2.613 122.560 119.950 -0.005 0.000 2.477 2089 F HA 0.558 5.085 4.527 -0.000 0.000 0.335 2089 F C -0.280 175.517 175.800 -0.004 0.000 1.130 2089 F CA -1.016 56.982 58.000 -0.004 0.000 0.948 2089 F CB 1.349 40.342 39.000 -0.012 0.000 1.154 2089 F HN 0.206 nan 8.300 nan 0.000 0.439 2090 L N 4.456 125.759 121.223 0.132 0.000 2.294 2090 L HA 0.520 4.860 4.340 -0.000 0.000 0.283 2090 L C -0.024 176.897 176.870 0.085 0.000 1.015 2090 L CA -0.644 54.245 54.840 0.082 0.000 0.831 2090 L CB 1.667 43.745 42.059 0.032 0.000 1.217 2090 L HN 0.592 nan 8.230 nan 0.000 0.420 2091 R N 4.079 124.623 120.500 0.075 0.000 2.308 2091 R HA 0.481 4.821 4.340 -0.000 0.000 0.305 2091 R C -1.005 175.318 176.300 0.038 0.000 1.053 2091 R CA -0.473 55.663 56.100 0.060 0.000 0.957 2091 R CB 1.266 31.595 30.300 0.047 0.000 1.022 2091 R HN 0.478 nan 8.270 nan 0.000 0.461 2092 I N 4.207 124.798 120.570 0.035 0.000 2.410 2092 I HA 0.492 4.662 4.170 -0.000 0.000 0.286 2092 I C -0.697 175.434 176.117 0.022 0.000 1.009 2092 I CA -0.047 61.267 61.300 0.024 0.000 1.111 2092 I CB 1.287 39.297 38.000 0.017 0.000 1.262 2092 I HN 0.857 nan 8.210 nan 0.000 0.443 2093 G N 4.632 113.445 108.800 0.021 0.000 2.818 2093 G HA2 0.680 4.640 3.960 -0.000 0.000 0.286 2093 G HA3 0.680 4.640 3.960 -0.000 0.000 0.286 2093 G C -0.862 174.051 174.900 0.022 0.000 1.364 2093 G CA -0.415 44.697 45.100 0.021 0.000 0.938 2093 G HN 0.564 nan 8.290 nan 0.000 0.490 2094 T N -2.660 111.910 114.554 0.026 0.000 2.925 2094 T HA 0.730 5.080 4.350 -0.000 0.000 0.285 2094 T C -0.259 174.465 174.700 0.039 0.000 1.021 2094 T CA -0.587 61.532 62.100 0.031 0.000 1.042 2094 T CB 1.992 70.880 68.868 0.033 0.000 1.037 2094 T HN 0.831 nan 8.240 nan 0.000 0.481 2095 T N -0.119 114.456 114.554 0.036 0.000 2.868 2095 T HA 0.662 5.012 4.350 -0.000 0.000 0.306 2095 T C -0.481 174.235 174.700 0.026 0.000 1.224 2095 T CA -0.457 61.663 62.100 0.032 0.000 1.012 2095 T CB 1.367 70.247 68.868 0.020 0.000 1.221 2095 T HN 1.141 nan 8.240 nan 0.000 0.499 2096 G N 1.597 110.411 108.800 0.024 0.000 2.335 2096 G HA2 0.640 4.600 3.960 -0.000 0.000 0.314 2096 G HA3 0.640 4.600 3.960 -0.000 0.000 0.314 2096 G C 0.021 174.926 174.900 0.008 0.000 1.129 2096 G CA -0.218 44.892 45.100 0.017 0.000 0.912 2096 G HN 0.984 nan 8.290 nan 0.000 0.443 2097 A N 2.214 125.021 122.820 -0.022 0.000 2.371 2097 A HA 0.538 4.858 4.320 -0.000 0.000 0.257 2097 A C 1.083 178.630 177.584 -0.061 0.000 1.089 2097 A CA -0.390 51.605 52.037 -0.070 0.000 0.794 2097 A CB 0.267 19.204 19.000 -0.104 0.000 1.029 2097 A HN 1.296 nan 8.150 nan 0.000 0.488 2098 I N -2.118 118.392 120.570 -0.098 0.000 4.154 2098 I HA 0.251 4.421 4.170 -0.000 0.000 0.334 2098 I C -0.168 175.908 176.117 -0.068 0.000 1.371 2098 I CA -0.309 60.954 61.300 -0.062 0.000 1.110 2098 I CB 0.233 38.181 38.000 -0.088 0.000 1.085 2098 I HN 0.325 nan 8.210 nan 0.000 0.398 2099 Q N 2.780 122.500 119.800 -0.135 0.000 2.256 2099 Q HA 0.386 4.726 4.340 -0.000 0.000 0.257 2099 Q C -1.829 174.073 176.000 -0.164 0.000 0.936 2099 Q CA -2.139 53.579 55.803 -0.142 0.000 0.903 2099 Q CB 1.833 30.409 28.738 -0.270 0.000 1.263 2099 Q HN 0.041 nan 8.270 nan 0.000 0.440 2100 P HA -0.146 nan 4.420 nan 0.000 0.222 2100 P C 0.692 177.991 177.300 -0.002 0.000 1.147 2100 P CA 1.398 64.497 63.100 -0.001 0.000 0.790 2100 P CB 0.167 31.898 31.700 0.051 0.000 0.780 2101 H N -1.537 117.501 119.070 -0.054 0.000 2.539 2101 H HA 0.260 4.816 4.556 0.000 0.000 0.269 2101 H C 0.575 175.859 175.328 -0.073 0.000 0.980 2101 H CA -0.368 55.653 56.048 -0.045 0.000 1.152 2101 H CB -0.498 29.242 29.762 -0.036 0.000 1.407 2101 H HN 0.124 nan 8.280 nan 0.000 0.564 2102 I N 3.072 123.325 120.570 -0.527 0.000 2.342 2102 I HA 0.083 4.253 4.170 -0.000 0.000 0.291 2102 I C -0.245 175.798 176.117 -0.122 0.000 1.010 2102 I CA -0.489 60.574 61.300 -0.395 0.000 1.308 2102 I CB 0.890 38.562 38.000 -0.547 0.000 1.400 2102 I HN 0.073 nan 8.210 nan 0.000 0.488 2103 N N 5.046 123.748 118.700 0.003 0.000 2.466 2103 N HA 0.306 5.046 4.740 -0.000 0.000 0.294 2103 N C -0.507 175.018 175.510 0.026 0.000 1.129 2103 N CA -0.619 52.444 53.050 0.021 0.000 0.931 2103 N CB 2.085 40.602 38.487 0.050 0.000 1.193 2103 N HN 0.173 nan 8.380 nan 0.000 0.500 2104 V N 1.079 121.003 119.914 0.017 0.000 2.584 2104 V HA 0.178 4.298 4.120 -0.000 0.000 0.303 2104 V C 1.509 177.618 176.094 0.025 0.000 1.035 2104 V CA 1.692 64.002 62.300 0.018 0.000 1.172 2104 V CB 0.055 31.885 31.823 0.012 0.000 0.896 2104 V HN 1.069 nan 8.190 nan 0.000 0.486 2105 G N 3.929 112.746 108.800 0.029 0.000 2.232 2105 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.226 2105 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.226 2105 G C -0.024 174.921 174.900 0.075 0.000 0.996 2105 G CA -0.009 45.111 45.100 0.033 0.000 0.626 2105 G HN 0.663 nan 8.290 nan 0.000 0.509 2106 D N 0.301 120.750 120.400 0.082 0.000 2.368 2106 D HA 0.467 5.107 4.640 -0.000 0.000 0.240 2106 D C 0.544 176.899 176.300 0.091 0.000 1.169 2106 D CA 0.161 54.223 54.000 0.105 0.000 0.906 2106 D CB 1.603 42.505 40.800 0.171 0.000 1.187 2106 D HN 0.227 nan 8.370 nan 0.000 0.435 2107 V N 2.315 122.270 119.914 0.068 0.000 2.398 2107 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 2107 V C 0.050 176.176 176.094 0.052 0.000 1.026 2107 V CA -0.701 61.627 62.300 0.046 0.000 0.868 2107 V CB 1.150 32.979 31.823 0.009 0.000 0.982 2107 V HN 0.268 nan 8.190 nan 0.000 0.443 2108 L N 5.461 126.715 121.223 0.051 0.000 2.313 2108 L HA 0.613 4.953 4.340 -0.000 0.000 0.283 2108 L C -0.657 176.229 176.870 0.027 0.000 1.013 2108 L CA -0.760 54.113 54.840 0.055 0.000 0.816 2108 L CB 1.947 44.031 42.059 0.043 0.000 1.236 2108 L HN 0.333 nan 8.230 nan 0.000 0.419 2109 V N 2.002 121.930 119.914 0.024 0.000 2.370 2109 V HA 0.268 4.388 4.120 -0.000 0.000 0.283 2109 V C 0.334 176.435 176.094 0.011 0.000 1.023 2109 V CA -0.401 61.905 62.300 0.009 0.000 0.857 2109 V CB 1.693 33.512 31.823 -0.006 0.000 0.985 2109 V HN 0.731 nan 8.190 nan 0.000 0.443 2110 T N 3.656 118.213 114.554 0.006 0.000 2.761 2110 T HA 0.184 4.534 4.350 -0.000 0.000 0.296 2110 T C 1.352 176.057 174.700 0.008 0.000 0.934 2110 T CA 0.222 62.323 62.100 0.002 0.000 1.091 2110 T CB 1.155 70.020 68.868 -0.004 0.000 0.896 2110 T HN 0.960 nan 8.240 nan 0.000 0.515 2111 T N 0.660 115.221 114.554 0.012 0.000 2.976 2111 T HA 0.491 4.841 4.350 -0.000 0.000 0.257 2111 T C 0.723 175.435 174.700 0.020 0.000 1.051 2111 T CA 0.250 62.365 62.100 0.025 0.000 1.141 2111 T CB 0.186 69.074 68.868 0.034 0.000 0.881 2111 T HN 0.763 nan 8.240 nan 0.000 0.461 2112 A N -0.018 122.804 122.820 0.003 0.000 2.601 2112 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 2112 A C -1.070 176.498 177.584 -0.026 0.000 1.075 2112 A CA -0.830 51.204 52.037 -0.004 0.000 0.671 2112 A CB 1.254 20.250 19.000 -0.006 0.000 1.277 2112 A HN 0.188 nan 8.150 nan 0.000 0.417 2113 S N -0.363 115.319 115.700 -0.029 0.000 2.536 2113 S HA 0.597 5.067 4.470 -0.000 0.000 0.298 2113 S C -0.391 174.156 174.600 -0.088 0.000 1.083 2113 S CA -0.528 57.634 58.200 -0.063 0.000 0.995 2113 S CB 1.686 64.861 63.200 -0.042 0.000 1.058 2113 S HN 0.894 nan 8.310 nan 0.000 0.488 2114 V N 3.272 123.079 119.914 -0.177 0.000 2.521 2114 V HA 0.188 4.308 4.120 -0.000 0.000 0.286 2114 V C 0.581 176.593 176.094 -0.137 0.000 1.034 2114 V CA 0.007 62.163 62.300 -0.241 0.000 1.045 2114 V CB -0.046 31.421 31.823 -0.593 0.000 0.974 2114 V HN 0.693 nan 8.190 nan 0.000 0.480 2115 R N 5.316 125.790 120.500 -0.043 0.000 2.891 2115 R HA 0.328 4.668 4.340 -0.000 0.000 0.248 2115 R C -0.039 176.307 176.300 0.076 0.000 1.439 2115 R CA -0.125 55.992 56.100 0.028 0.000 1.288 2115 R CB 0.043 30.384 30.300 0.068 0.000 1.212 2115 R HN 0.669 nan 8.270 nan 0.000 0.605 2116 L N 2.332 123.604 121.223 0.082 0.000 2.912 2116 L HA 0.161 4.501 4.340 -0.000 0.000 0.240 2116 L C 0.169 177.135 176.870 0.159 0.000 1.262 2116 L CA -0.284 54.674 54.840 0.197 0.000 1.058 2116 L CB -0.655 41.566 42.059 0.270 0.000 1.383 2116 L HN 0.505 nan 8.230 nan 0.000 0.512 2117 D N -1.415 119.051 120.400 0.110 0.000 2.497 2117 D HA 0.318 4.958 4.640 -0.000 0.000 0.243 2117 D C 0.690 177.033 176.300 0.071 0.000 1.039 2117 D CA -0.385 53.659 54.000 0.074 0.000 1.052 2117 D CB 1.956 42.783 40.800 0.045 0.000 1.344 2117 D HN -0.066 nan 8.370 nan 0.000 0.553 2118 G N -0.921 107.896 108.800 0.029 0.000 2.651 2118 G HA2 0.207 4.167 3.960 -0.000 0.000 0.207 2118 G HA3 0.207 4.167 3.960 -0.000 0.000 0.207 2118 G C 1.314 176.164 174.900 -0.083 0.000 1.131 2118 G CA 0.619 45.724 45.100 0.008 0.000 0.816 2118 G HN 0.612 nan 8.290 nan 0.000 0.534 2119 A N 1.714 124.456 122.820 -0.131 0.000 1.972 2119 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 2119 A C 2.677 180.294 177.584 0.054 0.000 1.169 2119 A CA 2.429 54.342 52.037 -0.207 0.000 0.635 2119 A CB -0.673 18.289 19.000 -0.063 0.000 0.810 2119 A HN 0.721 nan 8.150 nan 0.000 0.446 2120 S N 0.216 115.991 115.700 0.125 0.000 2.399 2120 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 2120 S C 1.739 176.467 174.600 0.215 0.000 1.022 2120 S CA 1.409 59.738 58.200 0.214 0.000 0.983 2120 S CB -0.776 62.505 63.200 0.134 0.000 0.803 2120 S HN 0.454 nan 8.310 nan 0.000 0.480 2121 L N 0.794 122.121 121.223 0.174 0.000 2.353 2121 L HA -0.039 4.301 4.340 -0.000 0.000 0.220 2121 L C 2.369 179.334 176.870 0.160 0.000 1.133 2121 L CA 1.189 56.129 54.840 0.167 0.000 0.798 2121 L CB -0.771 41.390 42.059 0.170 0.000 0.922 2121 L HN 0.510 nan 8.230 nan 0.000 0.445 2122 H N -1.864 117.136 119.070 -0.117 0.000 2.551 2122 H HA 0.011 4.567 4.556 -0.000 0.000 0.266 2122 H C 1.321 176.281 175.328 -0.612 0.000 0.977 2122 H CA 0.516 56.345 56.048 -0.366 0.000 1.163 2122 H CB 0.396 29.868 29.762 -0.483 0.000 1.381 2122 H HN 0.341 nan 8.280 nan 0.000 0.581 2123 F N -0.248 119.722 119.950 0.035 0.000 2.619 2123 F HA 0.419 4.946 4.527 -0.000 0.000 0.281 2123 F C 0.891 176.599 175.800 -0.153 0.000 1.065 2123 F CA 0.008 57.969 58.000 -0.065 0.000 1.304 2123 F CB 0.923 39.869 39.000 -0.090 0.000 1.059 2123 F HN -0.051 nan 8.300 nan 0.000 0.648 2124 A N 0.397 123.229 122.820 0.020 0.000 2.574 2124 A HA 0.656 4.976 4.320 -0.000 0.000 0.297 2124 A C -2.749 174.849 177.584 0.023 0.000 1.062 2124 A CA -1.508 50.465 52.037 -0.106 0.000 0.686 2124 A CB 0.741 19.466 19.000 -0.459 0.000 1.285 2124 A HN -0.179 nan 8.150 nan 0.000 0.403 2125 P HA 0.109 nan 4.420 nan 0.000 0.271 2125 P C 0.809 178.190 177.300 0.135 0.000 1.244 2125 P CA -0.321 62.828 63.100 0.083 0.000 0.793 2125 P CB 0.639 32.383 31.700 0.074 0.000 0.984 2126 L N 1.130 122.421 121.223 0.114 0.000 2.191 2126 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 2126 L C 2.200 179.152 176.870 0.136 0.000 1.103 2126 L CA 1.782 56.696 54.840 0.122 0.000 0.769 2126 L CB -1.383 40.734 42.059 0.096 0.000 0.908 2126 L HN 0.430 nan 8.230 nan 0.000 0.438 2127 E N -1.069 119.210 120.200 0.131 0.000 2.338 2127 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 2127 E C 0.739 177.414 176.600 0.124 0.000 1.007 2127 E CA 0.122 56.586 56.400 0.108 0.000 0.849 2127 E CB -0.730 29.021 29.700 0.085 0.000 0.774 2127 E HN 0.433 nan 8.360 nan 0.000 0.506 2128 F N 4.121 124.094 119.950 0.038 0.000 2.456 2128 F HA 0.236 4.763 4.527 -0.000 0.000 0.358 2128 F C -2.047 173.772 175.800 0.032 0.000 1.095 2128 F CA -2.694 55.328 58.000 0.036 0.000 1.216 2128 F CB 0.803 39.830 39.000 0.044 0.000 1.125 2128 F HN -0.183 nan 8.300 nan 0.000 0.549 2129 P HA 0.120 nan 4.420 nan 0.000 0.276 2129 P C -1.084 176.255 177.300 0.064 0.000 1.235 2129 P CA -0.334 62.696 63.100 -0.118 0.000 0.772 2129 P CB 1.218 32.776 31.700 -0.237 0.000 0.871 2130 A N 4.108 126.990 122.820 0.102 0.000 3.048 2130 A HA 0.215 4.535 4.320 -0.000 0.000 0.264 2130 A C 0.341 177.960 177.584 0.058 0.000 1.796 2130 A CA -0.281 51.823 52.037 0.111 0.000 1.445 2130 A CB -1.038 18.004 19.000 0.070 0.000 1.074 2130 A HN 0.475 nan 8.150 nan 0.000 0.621 2131 V N 1.814 121.764 119.914 0.060 0.000 2.439 2131 V HA 0.655 4.775 4.120 -0.000 0.000 0.282 2131 V C 0.662 176.791 176.094 0.059 0.000 1.039 2131 V CA -0.193 62.128 62.300 0.034 0.000 0.913 2131 V CB 1.175 32.994 31.823 -0.006 0.000 0.983 2131 V HN 0.877 nan 8.190 nan 0.000 0.460 2132 A N 4.413 127.264 122.820 0.052 0.000 2.332 2132 A HA 0.366 4.686 4.320 -0.000 0.000 0.258 2132 A C 0.118 177.751 177.584 0.082 0.000 1.087 2132 A CA -0.195 51.877 52.037 0.058 0.000 0.802 2132 A CB 0.138 19.163 19.000 0.041 0.000 1.042 2132 A HN 1.038 nan 8.150 nan 0.000 0.489 2133 D N 0.012 120.462 120.400 0.084 0.000 2.424 2133 D HA 0.104 4.744 4.640 -0.000 0.000 0.244 2133 D C 0.672 177.048 176.300 0.126 0.000 1.134 2133 D CA 0.052 54.117 54.000 0.108 0.000 0.881 2133 D CB 0.158 41.012 40.800 0.090 0.000 1.191 2133 D HN 0.410 nan 8.370 nan 0.000 0.445 2134 F N 2.793 122.752 119.950 0.015 0.000 2.186 2134 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 2134 F C 1.821 177.626 175.800 0.009 0.000 1.090 2134 F CA 1.270 59.275 58.000 0.009 0.000 1.307 2134 F CB 0.151 39.155 39.000 0.006 0.000 1.019 2134 F HN 0.531 nan 8.300 nan 0.000 0.489 2135 E N -0.437 119.745 120.200 -0.031 0.000 2.077 2135 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 2135 E C 2.336 178.850 176.600 -0.144 0.000 0.989 2135 E CA 1.527 57.852 56.400 -0.126 0.000 0.800 2135 E CB -0.459 29.244 29.700 0.004 0.000 0.746 2135 E HN 0.450 nan 8.360 nan 0.000 0.452 2136 C N 0.436 119.695 119.300 -0.069 0.000 2.432 2136 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 2136 C C 2.883 177.820 174.990 -0.088 0.000 1.249 2136 C CA 1.180 60.166 59.018 -0.053 0.000 1.725 2136 C CB -0.993 26.746 27.740 -0.001 0.000 2.028 2136 C HN 0.510 nan 8.230 nan 0.000 0.477 2137 T N 0.617 115.108 114.554 -0.105 0.000 2.684 2137 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 2137 T C 1.787 176.372 174.700 -0.191 0.000 1.036 2137 T CA 2.251 64.281 62.100 -0.118 0.000 1.148 2137 T CB -0.579 68.240 68.868 -0.082 0.000 0.863 2137 T HN 0.602 nan 8.240 nan 0.000 0.436 2138 T N 1.958 116.303 114.554 -0.349 0.000 2.684 2138 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 2138 T C 2.394 176.977 174.700 -0.194 0.000 1.036 2138 T CA 1.282 63.171 62.100 -0.351 0.000 1.148 2138 T CB -0.643 67.893 68.868 -0.553 0.000 0.863 2138 T HN 0.450 nan 8.240 nan 0.000 0.436 2139 A N 1.162 123.887 122.820 -0.159 0.000 1.883 2139 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 2139 A C 2.324 179.859 177.584 -0.082 0.000 1.186 2139 A CA 1.445 53.421 52.037 -0.101 0.000 0.624 2139 A CB -0.933 18.020 19.000 -0.077 0.000 0.822 2139 A HN 0.484 nan 8.150 nan 0.000 0.444 2140 L N -0.749 120.428 121.223 -0.078 0.000 2.017 2140 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 2140 L C 2.566 179.397 176.870 -0.064 0.000 1.073 2140 L CA 1.178 55.982 54.840 -0.059 0.000 0.745 2140 L CB -0.645 41.387 42.059 -0.045 0.000 0.894 2140 L HN 0.248 nan 8.230 nan 0.000 0.432 2141 V N -0.173 119.696 119.914 -0.076 0.000 2.287 2141 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 2141 V C 2.433 178.485 176.094 -0.070 0.000 1.053 2141 V CA 2.047 64.305 62.300 -0.070 0.000 1.027 2141 V CB -0.423 31.356 31.823 -0.074 0.000 0.646 2141 V HN 0.417 nan 8.190 nan 0.000 0.447 2142 E N -0.306 119.848 120.200 -0.077 0.000 2.106 2142 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 2142 E C 2.268 178.831 176.600 -0.062 0.000 0.984 2142 E CA 1.244 57.604 56.400 -0.067 0.000 0.806 2142 E CB -0.364 29.294 29.700 -0.069 0.000 0.750 2142 E HN 0.586 nan 8.360 nan 0.000 0.458 2143 A N 0.990 123.772 122.820 -0.063 0.000 1.883 2143 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 2143 A C 2.380 179.921 177.584 -0.071 0.000 1.186 2143 A CA 1.894 53.895 52.037 -0.060 0.000 0.624 2143 A CB -0.899 18.069 19.000 -0.054 0.000 0.822 2143 A HN 0.348 nan 8.150 nan 0.000 0.444 2144 A N -0.660 122.114 122.820 -0.077 0.000 1.933 2144 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 2144 A C 2.071 179.595 177.584 -0.100 0.000 1.175 2144 A CA 2.294 54.273 52.037 -0.097 0.000 0.628 2144 A CB -0.398 18.549 19.000 -0.087 0.000 0.814 2144 A HN 0.423 nan 8.150 nan 0.000 0.444 2145 K N 0.446 120.799 120.400 -0.079 0.000 2.057 2145 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 2145 K C 2.400 178.960 176.600 -0.067 0.000 1.049 2145 K CA 1.727 57.972 56.287 -0.069 0.000 0.931 2145 K CB -0.309 32.157 32.500 -0.055 0.000 0.714 2145 K HN 0.634 nan 8.250 nan 0.000 0.440 2146 S N 0.133 115.795 115.700 -0.064 0.000 2.436 2146 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 2146 S C 1.796 176.358 174.600 -0.063 0.000 1.014 2146 S CA 0.902 59.069 58.200 -0.055 0.000 0.950 2146 S CB -0.454 62.718 63.200 -0.046 0.000 0.784 2146 S HN 0.415 nan 8.310 nan 0.000 0.504 2147 I N -1.489 119.028 120.570 -0.089 0.000 3.883 2147 I HA 0.554 4.724 4.170 -0.000 0.000 0.326 2147 I C 1.339 177.370 176.117 -0.144 0.000 1.283 2147 I CA 0.368 61.602 61.300 -0.111 0.000 1.161 2147 I CB -0.384 37.536 38.000 -0.133 0.000 1.012 2147 I HN 0.301 nan 8.210 nan 0.000 0.421 2148 G N 1.359 110.084 108.800 -0.124 0.000 2.179 2148 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 2148 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 2148 G C 0.440 175.255 174.900 -0.141 0.000 1.010 2148 G CA 0.148 45.185 45.100 -0.106 0.000 0.736 2148 G HN 1.021 nan 8.290 nan 0.000 0.513 2149 A N 0.036 122.715 122.820 -0.235 0.000 2.407 2149 A HA 0.709 5.029 4.320 -0.000 0.000 0.248 2149 A C 1.013 178.521 177.584 -0.127 0.000 1.082 2149 A CA 0.986 52.868 52.037 -0.257 0.000 0.785 2149 A CB 0.424 19.177 19.000 -0.411 0.000 1.020 2149 A HN 1.833 nan 8.150 nan 0.000 0.489 2150 T N 1.002 115.516 114.554 -0.067 0.000 2.779 2150 T HA 0.489 4.839 4.350 -0.000 0.000 0.296 2150 T C -0.011 174.581 174.700 -0.180 0.000 0.938 2150 T CA 0.127 62.163 62.100 -0.107 0.000 1.119 2150 T CB -0.217 68.615 68.868 -0.060 0.000 0.891 2150 T HN 0.562 nan 8.240 nan 0.000 0.526 2151 T N 5.292 119.672 114.554 -0.290 0.000 2.861 2151 T HA 0.438 4.788 4.350 -0.000 0.000 0.287 2151 T C -0.927 173.513 174.700 -0.434 0.000 1.003 2151 T CA -0.750 61.193 62.100 -0.260 0.000 0.977 2151 T CB 0.899 69.683 68.868 -0.140 0.000 0.996 2151 T HN 0.726 nan 8.240 nan 0.000 0.448 2152 H N 0.941 120.016 119.070 0.009 0.000 2.524 2152 H HA 0.619 5.175 4.556 -0.000 0.000 0.353 2152 H C -0.918 174.415 175.328 0.008 0.000 1.136 2152 H CA -0.621 55.439 56.048 0.020 0.000 1.193 2152 H CB 1.937 31.714 29.762 0.026 0.000 1.558 2152 H HN 0.256 nan 8.280 nan 0.000 0.515 2153 V N 1.941 121.931 119.914 0.127 0.000 2.448 2153 V HA 0.680 4.800 4.120 -0.000 0.000 0.295 2153 V C 0.490 176.623 176.094 0.066 0.000 1.025 2153 V CA -0.159 62.181 62.300 0.067 0.000 0.859 2153 V CB 1.345 33.191 31.823 0.037 0.000 0.988 2153 V HN 1.116 nan 8.190 nan 0.000 0.431 2154 G N 3.289 112.115 108.800 0.042 0.000 2.399 2154 G HA2 0.374 4.334 3.960 -0.000 0.000 0.256 2154 G HA3 0.374 4.334 3.960 -0.000 0.000 0.256 2154 G C -1.415 173.487 174.900 0.003 0.000 1.236 2154 G CA -0.413 44.704 45.100 0.028 0.000 0.914 2154 G HN 0.497 nan 8.290 nan 0.000 0.482 2155 V N 0.814 120.720 119.914 -0.013 0.000 2.607 2155 V HA 0.625 4.745 4.120 -0.000 0.000 0.289 2155 V C 0.274 176.317 176.094 -0.085 0.000 1.053 2155 V CA -0.004 62.269 62.300 -0.045 0.000 0.996 2155 V CB 1.343 33.138 31.823 -0.047 0.000 0.995 2155 V HN 0.754 nan 8.190 nan 0.000 0.476 2156 T N 3.732 118.222 114.554 -0.106 0.000 2.824 2156 T HA 0.623 4.973 4.350 -0.000 0.000 0.282 2156 T C -0.050 174.524 174.700 -0.210 0.000 0.993 2156 T CA -0.269 61.748 62.100 -0.138 0.000 0.967 2156 T CB 1.561 70.381 68.868 -0.079 0.000 0.960 2156 T HN 0.910 nan 8.240 nan 0.000 0.441 2157 A N 2.516 125.151 122.820 -0.310 0.000 2.309 2157 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 2157 A C 0.417 177.942 177.584 -0.098 0.000 1.206 2157 A CA -0.399 51.418 52.037 -0.368 0.000 0.850 2157 A CB 0.293 18.891 19.000 -0.670 0.000 1.118 2157 A HN 0.635 nan 8.150 nan 0.000 0.523 2158 S N 2.148 117.806 115.700 -0.070 0.000 2.594 2158 S HA 0.516 4.986 4.470 -0.000 0.000 0.322 2158 S C -0.201 174.415 174.600 0.026 0.000 1.085 2158 S CA -0.341 57.858 58.200 -0.002 0.000 1.116 2158 S CB 0.430 63.621 63.200 -0.015 0.000 0.979 2158 S HN 0.992 nan 8.310 nan 0.000 0.465 2159 S N 3.375 119.094 115.700 0.031 0.000 2.475 2159 S HA 0.345 4.815 4.470 -0.000 0.000 0.298 2159 S C 0.458 175.044 174.600 -0.023 0.000 1.119 2159 S CA -0.602 57.594 58.200 -0.005 0.000 1.085 2159 S CB 1.147 64.283 63.200 -0.106 0.000 1.028 2159 S HN 0.707 nan 8.310 nan 0.000 0.489 2160 D N 2.290 122.684 120.400 -0.010 0.000 2.378 2160 D HA 0.077 4.717 4.640 -0.000 0.000 0.222 2160 D C 0.747 177.033 176.300 -0.022 0.000 0.980 2160 D CA 0.921 54.918 54.000 -0.004 0.000 0.907 2160 D CB 0.117 40.929 40.800 0.020 0.000 0.899 2160 D HN 0.726 nan 8.370 nan 0.000 0.527 2161 T N -4.251 110.258 114.554 -0.075 0.000 2.906 2161 T HA 0.293 4.643 4.350 -0.000 0.000 0.295 2161 T C 0.453 175.096 174.700 -0.095 0.000 1.061 2161 T CA -0.900 61.168 62.100 -0.053 0.000 1.000 2161 T CB 1.182 70.008 68.868 -0.071 0.000 1.103 2161 T HN -0.118 nan 8.240 nan 0.000 0.486 2162 F N 0.164 119.987 119.950 -0.211 0.000 2.335 2162 F HA 0.194 4.721 4.527 0.000 0.000 0.296 2162 F C 1.038 176.515 175.800 -0.537 0.000 1.091 2162 F CA 0.726 58.487 58.000 -0.399 0.000 1.399 2162 F CB -0.048 38.661 39.000 -0.485 0.000 1.067 2162 F HN 0.672 nan 8.300 nan 0.000 0.520 2163 Y N 0.881 121.167 120.300 -0.024 0.000 2.380 2163 Y HA 0.125 4.675 4.550 -0.000 0.000 0.255 2163 Y C -0.406 175.326 175.900 -0.279 0.000 1.051 2163 Y CA 0.459 58.491 58.100 -0.114 0.000 1.097 2163 Y CB -2.135 36.334 38.460 0.015 0.000 1.034 2163 Y HN -0.194 nan 8.280 nan 0.000 0.479 2164 P HA -0.104 nan 4.420 nan 0.000 0.217 2164 P C 1.532 178.542 177.300 -0.482 0.000 1.150 2164 P CA 2.241 65.199 63.100 -0.237 0.000 0.832 2164 P CB -0.282 31.338 31.700 -0.133 0.000 0.787 2165 G N -0.101 108.315 108.800 -0.641 0.000 2.470 2165 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 2165 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 2165 G C 1.324 175.793 174.900 -0.720 0.000 1.121 2165 G CA 0.342 44.820 45.100 -1.037 0.000 0.766 2165 G HN 0.383 nan 8.290 nan 0.000 0.553 2166 Q N -0.614 118.740 119.800 -0.744 0.000 2.189 2166 Q HA 0.232 4.572 4.340 -0.000 0.000 0.221 2166 Q C 0.008 175.636 176.000 -0.620 0.000 0.848 2166 Q CA -0.292 54.801 55.803 -1.183 0.000 1.007 2166 Q CB 0.495 28.439 28.738 -1.322 0.000 1.116 2166 Q HN 0.552 nan 8.270 nan 0.000 0.481 2167 E N 1.581 121.556 120.200 -0.376 0.000 2.269 2167 E HA -0.245 4.105 4.350 -0.000 0.000 0.223 2167 E C -0.859 175.542 176.600 -0.332 0.000 1.244 2167 E CA 0.163 56.391 56.400 -0.287 0.000 0.713 2167 E CB -0.341 29.338 29.700 -0.034 0.000 1.178 2167 E HN 0.348 nan 8.360 nan 0.000 0.370 2168 R N -0.184 120.119 120.500 -0.327 0.000 2.357 2168 R HA 0.190 4.530 4.340 -0.000 0.000 0.296 2168 R C 0.357 176.520 176.300 -0.229 0.000 1.052 2168 R CA -0.091 55.912 56.100 -0.161 0.000 0.988 2168 R CB 0.462 30.746 30.300 -0.028 0.000 1.025 2168 R HN 0.192 nan 8.270 nan 0.000 0.469 2169 Y N -0.343 119.994 120.300 0.062 0.000 2.462 2169 Y HA 0.089 4.639 4.550 -0.000 0.000 0.253 2169 Y C 0.156 176.085 175.900 0.049 0.000 1.095 2169 Y CA -0.147 57.982 58.100 0.048 0.000 1.283 2169 Y CB 0.601 39.078 38.460 0.030 0.000 1.138 2169 Y HN 0.495 nan 8.280 nan 0.000 0.522 2170 D N 1.507 122.022 120.400 0.192 0.000 2.600 2170 D HA 0.112 4.752 4.640 -0.000 0.000 0.226 2170 D C 0.201 176.557 176.300 0.093 0.000 1.119 2170 D CA 0.362 54.443 54.000 0.136 0.000 1.051 2170 D CB -0.186 40.700 40.800 0.142 0.000 1.106 2170 D HN 0.229 nan 8.370 nan 0.000 0.491 2171 T N -2.975 111.604 114.554 0.042 0.000 2.838 2171 T HA 0.163 4.513 4.350 -0.000 0.000 0.292 2171 T C 0.907 175.604 174.700 -0.005 0.000 1.113 2171 T CA -0.869 61.205 62.100 -0.042 0.000 1.008 2171 T CB 0.731 69.560 68.868 -0.064 0.000 1.259 2171 T HN 0.077 nan 8.240 nan 0.000 0.520 2172 Y N 1.717 121.947 120.300 -0.118 0.000 2.151 2172 Y HA -0.172 4.378 4.550 -0.000 0.000 0.284 2172 Y C 2.576 178.455 175.900 -0.035 0.000 1.166 2172 Y CA 2.732 60.788 58.100 -0.074 0.000 1.163 2172 Y CB -0.449 37.958 38.460 -0.088 0.000 0.974 2172 Y HN 0.753 nan 8.280 nan 0.000 0.511 2173 S N -1.592 114.011 115.700 -0.160 0.000 2.483 2173 S HA 0.243 4.713 4.470 -0.000 0.000 0.221 2173 S C 1.896 176.443 174.600 -0.088 0.000 1.030 2173 S CA 0.470 58.550 58.200 -0.200 0.000 0.925 2173 S CB -0.279 62.906 63.200 -0.025 0.000 0.795 2173 S HN 0.971 nan 8.310 nan 0.000 0.511 2174 G N 2.174 110.966 108.800 -0.013 0.000 2.175 2174 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.265 2174 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.265 2174 G C 0.080 175.084 174.900 0.172 0.000 0.979 2174 G CA 0.640 45.788 45.100 0.081 0.000 0.663 2174 G HN 0.901 nan 8.290 nan 0.000 0.533 2175 R N -1.201 119.365 120.500 0.110 0.000 2.758 2175 R HA 0.831 5.171 4.340 -0.000 0.000 0.265 2175 R C -0.833 175.512 176.300 0.075 0.000 1.016 2175 R CA -1.054 55.137 56.100 0.151 0.000 1.040 2175 R CB 2.016 32.376 30.300 0.101 0.000 1.152 2175 R HN 0.155 nan 8.270 nan 0.000 0.503 2176 V N 1.672 121.646 119.914 0.099 0.000 2.588 2176 V HA 0.190 4.310 4.120 -0.000 0.000 0.304 2176 V C -0.057 176.107 176.094 0.117 0.000 1.042 2176 V CA -1.095 61.214 62.300 0.016 0.000 0.877 2176 V CB 1.987 33.718 31.823 -0.153 0.000 0.996 2176 V HN 0.634 nan 8.190 nan 0.000 0.425 2177 V N 6.204 126.203 119.914 0.141 0.000 2.843 2177 V HA -0.023 4.097 4.120 -0.000 0.000 0.305 2177 V C 1.946 178.149 176.094 0.181 0.000 1.120 2177 V CA 0.986 63.390 62.300 0.173 0.000 1.254 2177 V CB 0.686 32.640 31.823 0.218 0.000 0.901 2177 V HN 0.990 nan 8.190 nan 0.000 0.503 2178 R N 3.708 124.287 120.500 0.132 0.000 2.159 2178 R HA -0.296 4.044 4.340 -0.000 0.000 0.252 2178 R C 1.958 178.304 176.300 0.077 0.000 1.144 2178 R CA 2.871 59.029 56.100 0.097 0.000 0.961 2178 R CB -0.663 29.681 30.300 0.074 0.000 0.877 2178 R HN 1.013 nan 8.270 nan 0.000 0.444 2179 H N -0.957 118.099 119.070 -0.024 0.000 2.426 2179 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 2179 H C 1.222 176.357 175.328 -0.320 0.000 1.107 2179 H CA 2.375 58.310 56.048 -0.189 0.000 1.298 2179 H CB -0.212 29.390 29.762 -0.267 0.000 1.377 2179 H HN 0.305 nan 8.280 nan 0.000 0.519 2180 F N -0.140 119.780 119.950 -0.049 0.000 2.721 2180 F HA 0.232 4.759 4.527 0.000 0.000 0.301 2180 F C 0.948 176.712 175.800 -0.060 0.000 1.096 2180 F CA -0.268 57.678 58.000 -0.090 0.000 1.308 2180 F CB 0.304 39.306 39.000 0.003 0.000 1.086 2180 F HN -0.175 nan 8.300 nan 0.000 0.587 2181 K N 0.886 121.351 120.400 0.109 0.000 2.430 2181 K HA 0.177 4.497 4.320 -0.000 0.000 0.280 2181 K C 1.126 177.749 176.600 0.039 0.000 1.063 2181 K CA 0.933 57.290 56.287 0.116 0.000 1.071 2181 K CB -0.002 32.561 32.500 0.105 0.000 0.899 2181 K HN 0.405 nan 8.250 nan 0.000 0.473 2182 G N 2.063 110.905 108.800 0.071 0.000 2.148 2182 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.254 2182 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.254 2182 G C 0.839 175.675 174.900 -0.107 0.000 0.981 2182 G CA 0.802 45.898 45.100 -0.007 0.000 0.670 2182 G HN 0.697 nan 8.290 nan 0.000 0.528 2183 S N -0.773 114.867 115.700 -0.100 0.000 2.395 2183 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 2183 S C 2.264 176.667 174.600 -0.329 0.000 1.027 2183 S CA 1.503 59.517 58.200 -0.311 0.000 0.965 2183 S CB -0.253 62.896 63.200 -0.086 0.000 0.812 2183 S HN 0.630 nan 8.310 nan 0.000 0.482 2184 M N 1.640 121.279 119.600 0.064 0.000 2.108 2184 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 2184 M C 2.376 178.704 176.300 0.047 0.000 1.066 2184 M CA 2.217 57.647 55.300 0.216 0.000 1.107 2184 M CB -0.299 32.484 32.600 0.304 0.000 1.356 2184 M HN 0.556 nan 8.290 nan 0.000 0.406 2185 E N -0.125 120.066 120.200 -0.014 0.000 2.153 2185 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 2185 E C 1.800 178.344 176.600 -0.093 0.000 0.988 2185 E CA 1.246 57.626 56.400 -0.033 0.000 0.811 2185 E CB -0.003 29.680 29.700 -0.028 0.000 0.746 2185 E HN 0.550 nan 8.360 nan 0.000 0.466 2186 E N -0.142 119.912 120.200 -0.243 0.000 2.047 2186 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 2186 E C 1.832 178.334 176.600 -0.164 0.000 0.987 2186 E CA 1.224 57.438 56.400 -0.310 0.000 0.799 2186 E CB -0.293 29.066 29.700 -0.567 0.000 0.752 2186 E HN 0.498 nan 8.360 nan 0.000 0.449 2187 W N 1.798 123.088 121.300 -0.017 0.000 2.338 2187 W HA -0.223 4.437 4.660 -0.000 0.000 0.304 2187 W C 2.529 179.009 176.519 -0.065 0.000 1.212 2187 W CA 0.608 57.919 57.345 -0.055 0.000 1.264 2187 W CB -0.268 29.121 29.460 -0.118 0.000 1.142 2187 W HN 0.160 nan 8.180 nan 0.000 0.512 2188 Q N 0.587 120.468 119.800 0.135 0.000 2.084 2188 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 2188 Q C 2.478 178.513 176.000 0.058 0.000 0.978 2188 Q CA 1.529 57.374 55.803 0.069 0.000 0.844 2188 Q CB -0.948 27.814 28.738 0.040 0.000 0.898 2188 Q HN 0.326 nan 8.270 nan 0.000 0.426 2189 A N 1.343 124.187 122.820 0.039 0.000 1.978 2189 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 2189 A C 1.980 179.592 177.584 0.046 0.000 1.170 2189 A CA 1.447 53.500 52.037 0.027 0.000 0.636 2189 A CB -0.501 18.499 19.000 -0.000 0.000 0.810 2189 A HN 0.336 nan 8.150 nan 0.000 0.448 2190 M N -1.215 118.434 119.600 0.082 0.000 2.563 2190 M HA 0.180 4.660 4.480 -0.000 0.000 0.231 2190 M C 1.291 177.639 176.300 0.080 0.000 1.136 2190 M CA 0.702 56.062 55.300 0.099 0.000 1.026 2190 M CB 0.181 32.888 32.600 0.178 0.000 1.597 2190 M HN 0.617 nan 8.290 nan 0.000 0.495 2191 G N 0.599 109.439 108.800 0.067 0.000 2.148 2191 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 2191 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 2191 G C 0.097 175.016 174.900 0.032 0.000 0.981 2191 G CA -0.111 45.020 45.100 0.051 0.000 0.670 2191 G HN 0.330 nan 8.290 nan 0.000 0.528 2192 V N 1.464 121.396 119.914 0.030 0.000 2.673 2192 V HA 0.207 4.327 4.120 -0.000 0.000 0.303 2192 V C 1.816 177.862 176.094 -0.079 0.000 1.046 2192 V CA 1.159 63.435 62.300 -0.041 0.000 1.126 2192 V CB 1.246 33.027 31.823 -0.070 0.000 0.934 2192 V HN 0.398 nan 8.190 nan 0.000 0.487 2193 M N 3.142 122.679 119.600 -0.105 0.000 2.357 2193 M HA 0.126 4.606 4.480 -0.000 0.000 0.266 2193 M C 0.578 176.782 176.300 -0.160 0.000 1.095 2193 M CA 0.920 56.146 55.300 -0.124 0.000 1.156 2193 M CB 0.056 32.601 32.600 -0.092 0.000 1.365 2193 M HN 0.951 nan 8.290 nan 0.000 0.447 2194 N N -1.643 116.941 118.700 -0.194 0.000 3.127 2194 N HA 0.154 4.894 4.740 -0.000 0.000 0.239 2194 N C -2.013 173.347 175.510 -0.249 0.000 1.407 2194 N CA -0.658 52.285 53.050 -0.179 0.000 0.891 2194 N CB 1.085 39.521 38.487 -0.085 0.000 1.447 2194 N HN -0.108 nan 8.380 nan 0.000 0.507 2195 Y N -0.096 120.153 120.300 -0.086 0.000 2.360 2195 Y HA 0.489 5.039 4.550 0.000 0.000 0.337 2195 Y C 0.393 176.235 175.900 -0.097 0.000 1.039 2195 Y CA -0.100 57.934 58.100 -0.110 0.000 1.109 2195 Y CB 1.523 39.897 38.460 -0.143 0.000 1.201 2195 Y HN 0.783 nan 8.280 nan 0.000 0.458 2196 E N -0.042 120.218 120.200 0.099 0.000 2.391 2196 E HA 0.516 4.866 4.350 -0.000 0.000 0.256 2196 E C -0.946 175.675 176.600 0.035 0.000 0.975 2196 E CA -0.740 55.689 56.400 0.049 0.000 0.881 2196 E CB 1.131 30.850 29.700 0.032 0.000 1.728 2196 E HN 0.455 nan 8.360 nan 0.000 0.446 2197 M N -0.597 119.020 119.600 0.029 0.000 2.300 2197 M HA 0.340 4.820 4.480 -0.000 0.000 0.313 2197 M C 0.003 176.312 176.300 0.015 0.000 0.988 2197 M CA 0.231 55.543 55.300 0.020 0.000 1.012 2197 M CB 0.641 33.258 32.600 0.028 0.000 1.586 2197 M HN 0.494 nan 8.290 nan 0.000 0.562 2198 E N -0.440 119.767 120.200 0.013 0.000 2.474 2198 E HA 0.063 4.413 4.350 -0.000 0.000 0.215 2198 E C 1.858 178.457 176.600 -0.003 0.000 0.867 2198 E CA 0.563 56.967 56.400 0.007 0.000 1.135 2198 E CB 0.409 30.115 29.700 0.011 0.000 1.147 2198 E HN 0.318 nan 8.360 nan 0.000 0.534 2199 S N 0.915 116.614 115.700 -0.002 0.000 2.382 2199 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 2199 S C 2.251 176.846 174.600 -0.009 0.000 1.027 2199 S CA 0.967 59.163 58.200 -0.007 0.000 0.991 2199 S CB -0.360 62.837 63.200 -0.006 0.000 0.823 2199 S HN 0.233 nan 8.310 nan 0.000 0.469 2200 A N 1.897 124.716 122.820 -0.002 0.000 1.883 2200 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 2200 A C 2.454 180.045 177.584 0.013 0.000 1.186 2200 A CA 2.277 54.320 52.037 0.011 0.000 0.624 2200 A CB -1.755 17.256 19.000 0.019 0.000 0.822 2200 A HN 0.570 nan 8.150 nan 0.000 0.444 2201 T N -0.058 114.498 114.554 0.002 0.000 2.674 2201 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 2201 T C 1.887 176.527 174.700 -0.100 0.000 1.039 2201 T CA 1.533 63.625 62.100 -0.013 0.000 1.150 2201 T CB -0.468 68.398 68.868 -0.002 0.000 0.864 2201 T HN 0.361 nan 8.240 nan 0.000 0.427 2202 L N 1.128 122.290 121.223 -0.102 0.000 1.970 2202 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 2202 L C 2.248 179.032 176.870 -0.143 0.000 1.071 2202 L CA 1.740 56.486 54.840 -0.158 0.000 0.751 2202 L CB -0.761 41.238 42.059 -0.100 0.000 0.889 2202 L HN 0.251 nan 8.230 nan 0.000 0.432 2203 L N -1.180 120.007 121.223 -0.060 0.000 2.042 2203 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 2203 L C 2.381 179.253 176.870 0.004 0.000 1.076 2203 L CA 1.828 56.660 54.840 -0.013 0.000 0.749 2203 L CB -1.211 40.860 42.059 0.021 0.000 0.893 2203 L HN 0.342 nan 8.230 nan 0.000 0.432 2204 T N 0.465 115.019 114.554 -0.000 0.000 2.737 2204 T HA -0.193 4.157 4.350 -0.000 0.000 0.265 2204 T C 1.863 176.477 174.700 -0.143 0.000 1.038 2204 T CA 1.841 63.958 62.100 0.029 0.000 1.144 2204 T CB -0.222 68.691 68.868 0.074 0.000 0.866 2204 T HN 0.445 nan 8.240 nan 0.000 0.434 2205 M N 0.295 119.689 119.600 -0.343 0.000 2.229 2205 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 2205 M C 2.255 178.288 176.300 -0.444 0.000 1.063 2205 M CA 1.485 56.346 55.300 -0.732 0.000 1.114 2205 M CB -1.118 30.593 32.600 -1.482 0.000 1.387 2205 M HN 0.185 nan 8.290 nan 0.000 0.420 2206 C N 1.479 120.607 119.300 -0.287 0.000 2.489 2206 C HA 0.135 4.595 4.460 -0.000 0.000 0.279 2206 C C 3.313 178.285 174.990 -0.031 0.000 1.266 2206 C CA 1.019 59.949 59.018 -0.147 0.000 1.707 2206 C CB -1.256 26.428 27.740 -0.092 0.000 2.059 2206 C HN 0.764 nan 8.230 nan 0.000 0.481 2207 A N 1.237 124.078 122.820 0.036 0.000 1.986 2207 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 2207 A C 2.167 179.852 177.584 0.167 0.000 1.171 2207 A CA 2.367 54.500 52.037 0.160 0.000 0.640 2207 A CB -0.717 18.464 19.000 0.302 0.000 0.811 2207 A HN 0.742 nan 8.150 nan 0.000 0.451 2208 S N -1.789 113.896 115.700 -0.023 0.000 2.575 2208 S HA 0.133 4.603 4.470 -0.000 0.000 0.215 2208 S C 0.972 175.529 174.600 -0.072 0.000 0.966 2208 S CA 0.423 58.520 58.200 -0.171 0.000 0.911 2208 S CB 0.024 62.908 63.200 -0.527 0.000 0.780 2208 S HN 0.666 nan 8.310 nan 0.000 0.514 2209 Q N 0.209 119.987 119.800 -0.037 0.000 2.086 2209 Q HA 0.359 4.699 4.340 -0.000 0.000 0.220 2209 Q C 0.711 176.725 176.000 0.024 0.000 0.792 2209 Q CA 0.038 55.835 55.803 -0.010 0.000 1.062 2209 Q CB 1.035 29.752 28.738 -0.035 0.000 1.198 2209 Q HN 0.613 nan 8.270 nan 0.000 0.466 2210 G N 1.480 110.306 108.800 0.043 0.000 2.160 2210 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 2210 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 2210 G C -0.090 174.851 174.900 0.069 0.000 1.008 2210 G CA 0.157 45.292 45.100 0.058 0.000 0.724 2210 G HN 0.267 nan 8.290 nan 0.000 0.514 2211 L N -0.206 121.062 121.223 0.075 0.000 2.322 2211 L HA 0.591 4.931 4.340 -0.000 0.000 0.279 2211 L C 1.034 177.983 176.870 0.132 0.000 1.036 2211 L CA -1.052 53.866 54.840 0.130 0.000 0.807 2211 L CB 1.271 43.439 42.059 0.181 0.000 1.226 2211 L HN 0.055 nan 8.230 nan 0.000 0.433 2212 R N 2.103 122.691 120.500 0.146 0.000 2.308 2212 R HA 0.701 5.041 4.340 -0.000 0.000 0.305 2212 R C -0.599 175.801 176.300 0.168 0.000 1.053 2212 R CA -0.364 55.809 56.100 0.122 0.000 0.957 2212 R CB 1.350 31.698 30.300 0.079 0.000 1.022 2212 R HN 0.716 nan 8.270 nan 0.000 0.461 2213 A N 1.648 124.543 122.820 0.126 0.000 2.449 2213 A HA 0.786 5.106 4.320 -0.000 0.000 0.302 2213 A C -0.673 176.957 177.584 0.077 0.000 1.048 2213 A CA -0.639 51.474 52.037 0.127 0.000 0.708 2213 A CB 2.151 21.203 19.000 0.086 0.000 1.274 2213 A HN 0.760 nan 8.150 nan 0.000 0.410 2214 G N -0.199 108.642 108.800 0.068 0.000 2.605 2214 G HA2 0.701 4.661 3.960 -0.000 0.000 0.296 2214 G HA3 0.701 4.661 3.960 -0.000 0.000 0.296 2214 G C -1.184 173.736 174.900 0.034 0.000 1.304 2214 G CA -0.565 44.557 45.100 0.036 0.000 0.941 2214 G HN 1.227 nan 8.290 nan 0.000 0.475 2215 M N 1.561 121.172 119.600 0.019 0.000 2.224 2215 M HA 0.701 5.181 4.480 -0.000 0.000 0.281 2215 M C -1.932 174.374 176.300 0.010 0.000 1.025 2215 M CA -0.798 54.513 55.300 0.017 0.000 0.954 2215 M CB 1.917 34.525 32.600 0.014 0.000 1.639 2215 M HN 0.808 nan 8.290 nan 0.000 0.461 2216 V N 4.030 123.952 119.914 0.013 0.000 2.888 2216 V HA 1.046 5.166 4.120 -0.000 0.000 0.309 2216 V C -1.802 174.301 176.094 0.015 0.000 1.114 2216 V CA 0.231 62.537 62.300 0.010 0.000 0.940 2216 V CB 2.026 33.852 31.823 0.004 0.000 1.021 2216 V HN 1.290 nan 8.190 nan 0.000 0.426 2217 A N 3.722 126.553 122.820 0.018 0.000 2.549 2217 A HA 0.910 5.230 4.320 -0.000 0.000 0.297 2217 A C -0.240 177.362 177.584 0.029 0.000 1.061 2217 A CA -0.131 51.919 52.037 0.022 0.000 0.690 2217 A CB 1.833 20.845 19.000 0.020 0.000 1.287 2217 A HN 1.671 nan 8.150 nan 0.000 0.402 2218 G N 0.045 108.864 108.800 0.032 0.000 2.356 2218 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 2218 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 2218 G C -0.480 174.440 174.900 0.033 0.000 1.145 2218 G CA -0.347 44.777 45.100 0.039 0.000 0.850 2218 G HN 0.922 nan 8.290 nan 0.000 0.487 2219 V N 3.311 123.246 119.914 0.035 0.000 2.427 2219 V HA 0.108 4.228 4.120 -0.000 0.000 0.268 2219 V C 1.242 177.350 176.094 0.022 0.000 1.046 2219 V CA 0.040 62.355 62.300 0.025 0.000 0.970 2219 V CB 0.748 32.584 31.823 0.021 0.000 1.001 2219 V HN 0.762 nan 8.190 nan 0.000 0.476 2220 I N 3.390 123.974 120.570 0.023 0.000 4.057 2220 I HA 0.537 4.707 4.170 -0.000 0.000 0.334 2220 I C 0.198 176.330 176.117 0.025 0.000 1.308 2220 I CA 0.288 61.603 61.300 0.024 0.000 1.125 2220 I CB 0.940 38.957 38.000 0.030 0.000 1.034 2220 I HN 0.400 nan 8.210 nan 0.000 0.401 2221 V N 1.206 121.133 119.914 0.021 0.000 3.023 2221 V HA 0.395 4.515 4.120 -0.000 0.000 0.294 2221 V C -1.805 174.293 176.094 0.007 0.000 1.324 2221 V CA -0.624 61.687 62.300 0.018 0.000 0.979 2221 V CB 2.301 34.141 31.823 0.027 0.000 1.093 2221 V HN 0.356 nan 8.190 nan 0.000 0.434 2222 N N 4.963 123.666 118.700 0.004 0.000 2.444 2222 N HA 0.377 5.117 4.740 -0.000 0.000 0.262 2222 N C 0.579 176.094 175.510 0.008 0.000 0.974 2222 N CA -0.563 52.484 53.050 -0.005 0.000 0.933 2222 N CB 1.642 40.120 38.487 -0.015 0.000 1.137 2222 N HN 0.599 nan 8.380 nan 0.000 0.498 2223 R N 1.075 121.584 120.500 0.015 0.000 2.316 2223 R HA -0.028 4.312 4.340 -0.000 0.000 0.202 2223 R C 1.329 177.653 176.300 0.040 0.000 1.029 2223 R CA 0.713 56.835 56.100 0.036 0.000 1.018 2223 R CB -0.632 29.712 30.300 0.074 0.000 0.888 2223 R HN 0.682 nan 8.270 nan 0.000 0.471 2224 T N -3.217 111.352 114.554 0.025 0.000 3.148 2224 T HA 0.036 4.386 4.350 -0.000 0.000 0.253 2224 T C 1.479 176.194 174.700 0.025 0.000 1.134 2224 T CA 0.567 62.683 62.100 0.026 0.000 1.051 2224 T CB 0.255 69.132 68.868 0.016 0.000 0.959 2224 T HN 0.205 nan 8.240 nan 0.000 0.525 2225 Q N -0.470 119.344 119.800 0.024 0.000 2.422 2225 Q HA 0.387 4.727 4.340 -0.000 0.000 0.255 2225 Q C 0.335 176.353 176.000 0.030 0.000 0.864 2225 Q CA 0.073 55.890 55.803 0.024 0.000 0.968 2225 Q CB 0.949 29.699 28.738 0.019 0.000 1.130 2225 Q HN 0.481 nan 8.270 nan 0.000 0.556 2226 Q N -1.098 118.722 119.800 0.034 0.000 2.527 2226 Q HA 0.167 4.507 4.340 -0.000 0.000 0.280 2226 Q C -0.706 175.318 176.000 0.040 0.000 0.977 2226 Q CA -0.150 55.677 55.803 0.039 0.000 0.837 2226 Q CB 1.884 30.644 28.738 0.035 0.000 1.454 2226 Q HN 0.015 nan 8.270 nan 0.000 0.387 2227 E N 0.638 120.869 120.200 0.052 0.000 2.127 2227 E HA 0.109 4.459 4.350 -0.000 0.000 0.191 2227 E C 0.101 176.732 176.600 0.051 0.000 0.964 2227 E CA 0.522 56.946 56.400 0.040 0.000 0.832 2227 E CB 0.667 30.411 29.700 0.074 0.000 0.790 2227 E HN 0.311 nan 8.360 nan 0.000 0.465 2228 I N 2.604 123.226 120.570 0.087 0.000 2.354 2228 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 2228 I C -2.332 173.835 176.117 0.084 0.000 0.989 2228 I CA -3.225 58.146 61.300 0.118 0.000 1.188 2228 I CB 0.673 38.753 38.000 0.133 0.000 1.342 2228 I HN -0.215 nan 8.210 nan 0.000 0.457 2229 P HA 0.078 nan 4.420 nan 0.000 0.267 2229 P C 0.011 177.339 177.300 0.046 0.000 1.200 2229 P CA -0.064 63.073 63.100 0.061 0.000 0.772 2229 P CB 0.556 32.297 31.700 0.069 0.000 0.855 2240 H N 2.103 121.165 119.070 -0.013 0.000 2.357 2240 H HA 0.338 4.894 4.556 -0.000 0.000 0.301 2240 H C 2.286 177.605 175.328 -0.015 0.000 1.082 2240 H CA 1.850 57.890 56.048 -0.014 0.000 1.342 2240 H CB -0.579 29.176 29.762 -0.012 0.000 1.389 2240 H HN 0.494 nan 8.280 nan 0.000 0.511 2241 A N 0.122 123.013 122.820 0.118 0.000 1.933 2241 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 2241 A C 2.767 180.367 177.584 0.028 0.000 1.175 2241 A CA 1.603 53.670 52.037 0.050 0.000 0.628 2241 A CB -0.812 18.213 19.000 0.042 0.000 0.814 2241 A HN 0.245 nan 8.150 nan 0.000 0.444 2242 V N -0.143 119.788 119.914 0.029 0.000 2.295 2242 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 2242 V C 2.477 178.575 176.094 0.007 0.000 1.049 2242 V CA 2.435 64.741 62.300 0.010 0.000 1.024 2242 V CB -0.680 31.142 31.823 -0.001 0.000 0.648 2242 V HN 0.544 nan 8.190 nan 0.000 0.447 2243 K N -0.239 120.173 120.400 0.021 0.000 2.063 2243 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 2243 K C 1.933 178.526 176.600 -0.011 0.000 1.048 2243 K CA 1.707 58.000 56.287 0.010 0.000 0.928 2243 K CB -0.323 32.196 32.500 0.032 0.000 0.713 2243 K HN 0.412 nan 8.250 nan 0.000 0.442 2244 I N -0.511 120.049 120.570 -0.017 0.000 2.202 2244 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 2244 I C 2.156 178.258 176.117 -0.024 0.000 1.091 2244 I CA 0.735 62.015 61.300 -0.033 0.000 1.368 2244 I CB -0.190 37.785 38.000 -0.043 0.000 1.058 2244 I HN 0.002 nan 8.210 nan 0.000 0.410 2245 V N 0.435 120.341 119.914 -0.013 0.000 2.392 2245 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 2245 V C 2.392 178.478 176.094 -0.013 0.000 1.059 2245 V CA 1.804 64.098 62.300 -0.010 0.000 1.051 2245 V CB 0.057 31.880 31.823 -0.000 0.000 0.658 2245 V HN 0.217 nan 8.190 nan 0.000 0.455 2246 V N -0.002 119.905 119.914 -0.013 0.000 2.307 2246 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 2246 V C 2.516 178.599 176.094 -0.018 0.000 1.045 2246 V CA 2.288 64.580 62.300 -0.014 0.000 1.024 2246 V CB -0.687 31.128 31.823 -0.013 0.000 0.651 2246 V HN 0.695 nan 8.190 nan 0.000 0.449 2247 E N 0.865 121.052 120.200 -0.021 0.000 2.110 2247 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 2247 E C 2.056 178.638 176.600 -0.029 0.000 0.988 2247 E CA 1.650 58.034 56.400 -0.026 0.000 0.804 2247 E CB -0.438 29.244 29.700 -0.031 0.000 0.745 2247 E HN 0.513 nan 8.360 nan 0.000 0.458 2248 A N 0.852 123.653 122.820 -0.031 0.000 1.898 2248 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 2248 A C 2.479 180.045 177.584 -0.031 0.000 1.181 2248 A CA 1.979 53.995 52.037 -0.035 0.000 0.620 2248 A CB -1.088 17.890 19.000 -0.035 0.000 0.819 2248 A HN 0.399 nan 8.150 nan 0.000 0.442 2249 A N -0.272 122.533 122.820 -0.025 0.000 1.917 2249 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 2249 A C 2.214 179.783 177.584 -0.025 0.000 1.182 2249 A CA 1.986 54.008 52.037 -0.025 0.000 0.633 2249 A CB -0.522 18.465 19.000 -0.022 0.000 0.819 2249 A HN 0.539 nan 8.150 nan 0.000 0.448 2250 R N -0.629 119.858 120.500 -0.023 0.000 2.103 2250 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 2250 R C 2.261 178.547 176.300 -0.022 0.000 1.142 2250 R CA 1.920 58.008 56.100 -0.021 0.000 0.960 2250 R CB -0.187 30.102 30.300 -0.019 0.000 0.858 2250 R HN 0.526 nan 8.270 nan 0.000 0.439 2251 R N -0.489 119.995 120.500 -0.027 0.000 2.236 2251 R HA 0.036 4.376 4.340 -0.000 0.000 0.208 2251 R C 1.487 177.770 176.300 -0.028 0.000 1.036 2251 R CA 0.633 56.716 56.100 -0.029 0.000 1.001 2251 R CB 0.165 30.443 30.300 -0.037 0.000 0.896 2251 R HN 0.240 nan 8.270 nan 0.000 0.464 2252 L N 0.230 121.436 121.223 -0.029 0.000 2.607 2252 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 2252 L C 0.511 177.366 176.870 -0.025 0.000 1.123 2252 L CA -0.202 54.621 54.840 -0.027 0.000 0.890 2252 L CB 0.151 42.192 42.059 -0.030 0.000 1.103 2252 L HN 0.078 nan 8.230 nan 0.000 0.468 2253 L N 0.000 121.209 121.223 -0.024 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 2253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502