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_M 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 0.000 174.592 174.600 -0.013 0.000 1.055 2004 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 2004 S CB 0.000 63.161 63.200 -0.066 0.000 0.593 2005 D N 1.323 121.722 120.400 -0.003 0.000 2.346 2005 D HA 0.167 4.807 4.640 -0.000 0.000 0.206 2005 D C 0.930 177.245 176.300 0.025 0.000 1.001 2005 D CA 1.336 55.343 54.000 0.012 0.000 0.871 2005 D CB 0.620 41.428 40.800 0.014 0.000 0.943 2005 D HN 0.606 nan 8.370 nan 0.000 0.518 2006 V N -2.200 117.725 119.914 0.018 0.000 2.864 2006 V HA 0.390 4.510 4.120 -0.000 0.000 0.314 2006 V C 0.773 176.886 176.094 0.031 0.000 1.073 2006 V CA -1.032 61.295 62.300 0.045 0.000 0.956 2006 V CB 1.760 33.605 31.823 0.036 0.000 1.023 2006 V HN -0.105 nan 8.190 nan 0.000 0.435 2007 F N 0.859 120.760 119.950 -0.081 0.000 2.325 2007 F HA 0.049 4.576 4.527 0.000 0.000 0.299 2007 F C 1.809 177.391 175.800 -0.364 0.000 1.090 2007 F CA 2.144 60.015 58.000 -0.215 0.000 1.392 2007 F CB 0.206 39.057 39.000 -0.248 0.000 1.053 2007 F HN 0.836 nan 8.300 nan 0.000 0.521 2008 H N -1.442 117.539 119.070 -0.147 0.000 2.501 2008 H HA 0.232 4.788 4.556 -0.000 0.000 0.281 2008 H C 1.903 177.134 175.328 -0.162 0.000 0.988 2008 H CA 0.753 56.682 56.048 -0.199 0.000 1.232 2008 H CB -0.062 29.618 29.762 -0.136 0.000 1.455 2008 H HN 0.085 nan 8.280 nan 0.000 0.501 2009 L N -0.027 121.165 121.223 -0.051 0.000 2.395 2009 L HA 0.134 4.474 4.340 -0.000 0.000 0.218 2009 L C 1.045 177.987 176.870 0.120 0.000 1.130 2009 L CA 0.616 55.467 54.840 0.018 0.000 0.826 2009 L CB -0.309 41.726 42.059 -0.039 0.000 0.941 2009 L HN 0.506 nan 8.230 nan 0.000 0.451 2010 G N 1.461 110.242 108.800 -0.032 0.000 2.338 2010 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.296 2010 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.296 2010 G C -0.179 174.755 174.900 0.056 0.000 1.040 2010 G CA 0.201 45.282 45.100 -0.032 0.000 1.004 2010 G HN 0.270 nan 8.290 nan 0.000 0.509 2011 L N -0.430 120.808 121.223 0.025 0.000 2.333 2011 L HA 0.869 5.209 4.340 -0.000 0.000 0.263 2011 L C 0.654 177.530 176.870 0.010 0.000 1.014 2011 L CA -0.671 54.184 54.840 0.024 0.000 0.820 2011 L CB 2.442 44.520 42.059 0.031 0.000 1.352 2011 L HN 0.343 nan 8.230 nan 0.000 0.421 2012 T N -3.665 110.894 114.554 0.008 0.000 2.932 2012 T HA 0.329 4.679 4.350 -0.000 0.000 0.289 2012 T C 0.690 175.393 174.700 0.006 0.000 1.039 2012 T CA -0.893 61.210 62.100 0.005 0.000 1.024 2012 T CB 2.201 71.070 68.868 0.001 0.000 1.090 2012 T HN 0.487 nan 8.240 nan 0.000 0.496 2013 K N 0.791 121.195 120.400 0.007 0.000 2.107 2013 K HA -0.230 4.090 4.320 -0.000 0.000 0.211 2013 K C 1.920 178.521 176.600 0.001 0.000 1.049 2013 K CA 1.612 57.903 56.287 0.006 0.000 0.927 2013 K CB -0.404 32.099 32.500 0.006 0.000 0.714 2013 K HN 0.695 nan 8.250 nan 0.000 0.452 2014 N N 0.930 119.630 118.700 -0.000 0.000 2.166 2014 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 2014 N C 1.110 176.616 175.510 -0.006 0.000 1.019 2014 N CA 1.061 54.109 53.050 -0.003 0.000 0.856 2014 N CB 0.018 38.502 38.487 -0.004 0.000 0.993 2014 N HN 0.186 nan 8.380 nan 0.000 0.426 2015 D N 0.740 121.137 120.400 -0.006 0.000 2.182 2015 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 2015 D C 1.858 178.154 176.300 -0.007 0.000 0.986 2015 D CA 0.591 54.585 54.000 -0.010 0.000 0.847 2015 D CB -0.019 40.777 40.800 -0.007 0.000 0.942 2015 D HN 0.243 nan 8.370 nan 0.000 0.467 2016 L N 0.148 121.369 121.223 -0.003 0.000 2.240 2016 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 2016 L C 0.861 177.728 176.870 -0.006 0.000 1.106 2016 L CA 0.721 55.559 54.840 -0.003 0.000 0.793 2016 L CB -0.320 41.737 42.059 -0.004 0.000 0.927 2016 L HN 0.008 nan 8.230 nan 0.000 0.446 2017 Q N -0.492 119.304 119.800 -0.006 0.000 2.453 2017 Q HA -0.276 4.064 4.340 -0.000 0.000 0.294 2017 Q C 1.054 177.049 176.000 -0.008 0.000 1.295 2017 Q CA 0.357 56.157 55.803 -0.006 0.000 0.853 2017 Q CB -1.612 27.123 28.738 -0.006 0.000 1.193 2017 Q HN 0.643 nan 8.270 nan 0.000 0.461 2018 G N -2.325 106.470 108.800 -0.009 0.000 2.176 2018 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 2018 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 2018 G C 0.270 175.158 174.900 -0.019 0.000 0.979 2018 G CA 0.122 45.215 45.100 -0.012 0.000 0.641 2018 G HN 1.192 nan 8.290 nan 0.000 0.530 2019 A N 0.329 123.136 122.820 -0.021 0.000 2.540 2019 A HA 0.568 4.888 4.320 -0.000 0.000 0.239 2019 A C 1.466 179.018 177.584 -0.054 0.000 1.061 2019 A CA 1.924 53.941 52.037 -0.034 0.000 0.758 2019 A CB 0.194 19.176 19.000 -0.029 0.000 0.991 2019 A HN 1.699 nan 8.150 nan 0.000 0.502 2020 T N 0.041 114.551 114.554 -0.073 0.000 3.058 2020 T HA 0.409 4.759 4.350 -0.000 0.000 0.278 2020 T C 0.013 174.611 174.700 -0.170 0.000 0.974 2020 T CA 0.033 62.071 62.100 -0.104 0.000 0.893 2020 T CB -0.500 68.326 68.868 -0.071 0.000 1.138 2020 T HN 0.564 nan 8.240 nan 0.000 0.529 2021 L N 1.698 122.826 121.223 -0.158 0.000 2.365 2021 L HA 0.883 5.223 4.340 -0.000 0.000 0.273 2021 L C -1.369 175.385 176.870 -0.193 0.000 1.000 2021 L CA -0.973 53.748 54.840 -0.199 0.000 0.819 2021 L CB 1.855 43.843 42.059 -0.117 0.000 1.284 2021 L HN 0.214 nan 8.230 nan 0.000 0.418 2022 A N 5.709 128.369 122.820 -0.267 0.000 2.343 2022 A HA 0.671 4.991 4.320 -0.000 0.000 0.308 2022 A C -0.911 176.650 177.584 -0.039 0.000 1.092 2022 A CA -0.523 51.431 52.037 -0.138 0.000 0.751 2022 A CB 0.959 19.875 19.000 -0.141 0.000 1.203 2022 A HN 0.676 nan 8.150 nan 0.000 0.452 2023 I N 2.660 123.236 120.570 0.009 0.000 2.352 2023 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 2023 I C -0.005 176.159 176.117 0.078 0.000 1.036 2023 I CA -0.307 61.017 61.300 0.040 0.000 1.336 2023 I CB 1.546 39.559 38.000 0.022 0.000 1.407 2023 I HN 0.455 nan 8.210 nan 0.000 0.497 2024 V N 6.122 126.098 119.914 0.103 0.000 2.250 2024 V HA 0.509 4.628 4.120 -0.000 0.000 0.268 2024 V C -2.466 173.678 176.094 0.084 0.000 1.043 2024 V CA -1.903 60.471 62.300 0.122 0.000 0.814 2024 V CB 0.296 32.229 31.823 0.183 0.000 1.072 2024 V HN 0.458 nan 8.190 nan 0.000 0.451 2025 P HA 0.317 nan 4.420 nan 0.000 0.276 2025 P C 0.919 178.245 177.300 0.044 0.000 1.261 2025 P CA 0.261 63.385 63.100 0.040 0.000 0.800 2025 P CB 1.771 33.482 31.700 0.019 0.000 1.066 2026 G N -0.503 108.312 108.800 0.026 0.000 2.459 2026 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.213 2026 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.213 2026 G C 0.220 175.119 174.900 -0.000 0.000 1.155 2026 G CA 0.390 45.501 45.100 0.018 0.000 0.811 2026 G HN 0.523 nan 8.290 nan 0.000 0.534 2027 D N 0.379 120.775 120.400 -0.008 0.000 2.280 2027 D HA 0.290 4.930 4.640 -0.000 0.000 0.243 2027 D C -1.248 175.043 176.300 -0.015 0.000 1.129 2027 D CA -2.530 51.456 54.000 -0.023 0.000 0.848 2027 D CB 2.080 42.863 40.800 -0.029 0.000 1.107 2027 D HN -0.068 nan 8.370 nan 0.000 0.471 2028 P HA -0.139 nan 4.420 nan 0.000 0.216 2028 P C 0.536 177.834 177.300 -0.003 0.000 1.150 2028 P CA 1.045 64.149 63.100 0.006 0.000 0.843 2028 P CB 0.326 32.023 31.700 -0.005 0.000 0.787 2029 D N -0.862 119.524 120.400 -0.022 0.000 2.348 2029 D HA -0.113 4.527 4.640 -0.000 0.000 0.216 2029 D C 1.914 178.174 176.300 -0.066 0.000 0.970 2029 D CA 0.679 54.658 54.000 -0.035 0.000 0.889 2029 D CB -0.187 40.593 40.800 -0.033 0.000 0.912 2029 D HN 0.358 nan 8.370 nan 0.000 0.524 2030 R N 0.485 120.947 120.500 -0.063 0.000 2.334 2030 R HA 0.083 4.423 4.340 -0.000 0.000 0.216 2030 R C 1.522 177.749 176.300 -0.122 0.000 0.905 2030 R CA 0.184 56.234 56.100 -0.084 0.000 1.064 2030 R CB -0.041 30.226 30.300 -0.055 0.000 1.046 2030 R HN -0.148 nan 8.270 nan 0.000 0.508 2031 V N 1.695 121.534 119.914 -0.126 0.000 2.261 2031 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 2031 V C 2.406 178.236 176.094 -0.440 0.000 1.047 2031 V CA 2.341 64.541 62.300 -0.167 0.000 1.015 2031 V CB -0.585 31.217 31.823 -0.035 0.000 0.642 2031 V HN 0.586 nan 8.190 nan 0.000 0.446 2032 E N 0.341 120.116 120.200 -0.707 0.000 2.085 2032 E HA -0.324 4.026 4.350 -0.000 0.000 0.194 2032 E C 2.164 178.357 176.600 -0.678 0.000 0.994 2032 E CA 1.844 57.507 56.400 -1.227 0.000 0.801 2032 E CB -0.145 28.965 29.700 -0.984 0.000 0.743 2032 E HN 0.496 nan 8.360 nan 0.000 0.453 2033 K N 0.280 120.452 120.400 -0.381 0.000 2.063 2033 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 2033 K C 2.042 178.528 176.600 -0.190 0.000 1.048 2033 K CA 1.721 57.868 56.287 -0.232 0.000 0.928 2033 K CB -0.144 32.265 32.500 -0.151 0.000 0.713 2033 K HN 0.236 nan 8.250 nan 0.000 0.442 2034 I N 0.049 120.512 120.570 -0.180 0.000 2.163 2034 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 2034 I C 2.282 178.329 176.117 -0.117 0.000 1.081 2034 I CA 1.133 62.364 61.300 -0.116 0.000 1.353 2034 I CB -0.386 37.567 38.000 -0.079 0.000 1.054 2034 I HN 0.165 nan 8.210 nan 0.000 0.407 2035 A N 0.892 123.608 122.820 -0.174 0.000 1.948 2035 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 2035 A C 2.464 179.998 177.584 -0.084 0.000 1.177 2035 A CA 2.059 54.034 52.037 -0.104 0.000 0.636 2035 A CB -0.917 18.009 19.000 -0.122 0.000 0.815 2035 A HN 0.465 nan 8.150 nan 0.000 0.449 2036 A N -0.702 122.019 122.820 -0.166 0.000 2.125 2036 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 2036 A C 1.887 179.441 177.584 -0.051 0.000 1.156 2036 A CA 1.172 53.148 52.037 -0.101 0.000 0.671 2036 A CB -0.514 18.402 19.000 -0.140 0.000 0.794 2036 A HN 0.500 nan 8.150 nan 0.000 0.459 2037 L N -1.360 119.832 121.223 -0.051 0.000 2.554 2037 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 2037 L C 1.081 177.944 176.870 -0.012 0.000 1.137 2037 L CA 0.044 54.867 54.840 -0.028 0.000 0.863 2037 L CB -0.332 41.710 42.059 -0.029 0.000 0.985 2037 L HN 0.434 nan 8.230 nan 0.000 0.451 2038 M N -1.683 117.914 119.600 -0.004 0.000 2.840 2038 M HA 0.317 4.797 4.480 -0.000 0.000 0.283 2038 M C -0.667 175.646 176.300 0.022 0.000 1.136 2038 M CA -0.815 54.491 55.300 0.010 0.000 0.857 2038 M CB 1.075 33.684 32.600 0.016 0.000 1.644 2038 M HN -0.183 nan 8.290 nan 0.000 0.520 2039 D N 1.171 121.587 120.400 0.027 0.000 2.253 2039 D HA 0.195 4.835 4.640 -0.000 0.000 0.249 2039 D C -0.487 175.842 176.300 0.048 0.000 1.049 2039 D CA -0.133 53.886 54.000 0.031 0.000 0.929 2039 D CB 0.866 41.678 40.800 0.021 0.000 1.176 2039 D HN 0.440 nan 8.370 nan 0.000 0.437 2040 K N -0.377 120.054 120.400 0.052 0.000 3.278 2040 K HA -0.134 4.186 4.320 -0.000 0.000 0.270 2040 K C -2.295 174.363 176.600 0.097 0.000 0.955 2040 K CA 0.124 56.447 56.287 0.060 0.000 0.723 2040 K CB -1.596 30.927 32.500 0.038 0.000 1.382 2040 K HN 0.389 nan 8.250 nan 0.000 0.461 2041 P HA 0.140 nan 4.420 nan 0.000 0.268 2041 P C -0.244 177.242 177.300 0.310 0.000 1.204 2041 P CA -0.031 63.249 63.100 0.300 0.000 0.768 2041 P CB 1.140 33.038 31.700 0.331 0.000 0.842 2042 V N 3.897 123.936 119.914 0.208 0.000 2.668 2042 V HA 0.229 4.349 4.120 -0.000 0.000 0.304 2042 V C 0.309 175.984 176.094 -0.699 0.000 1.071 2042 V CA -0.874 61.296 62.300 -0.216 0.000 0.894 2042 V CB 2.149 33.901 31.823 -0.119 0.000 1.008 2042 V HN 0.499 nan 8.190 nan 0.000 0.425 2043 K N 3.625 123.144 120.400 -1.468 0.000 2.368 2043 K HA 0.386 4.706 4.320 -0.000 0.000 0.282 2043 K C 0.214 176.410 176.600 -0.672 0.000 1.035 2043 K CA -0.130 55.171 56.287 -1.644 0.000 0.973 2043 K CB 0.785 32.456 32.500 -1.381 0.000 0.957 2043 K HN 0.646 nan 8.250 nan 0.000 0.474 2044 L N 2.492 123.453 121.223 -0.437 0.000 2.445 2044 L HA 0.314 4.654 4.340 -0.000 0.000 0.207 2044 L C 0.363 177.152 176.870 -0.133 0.000 1.053 2044 L CA 0.092 54.812 54.840 -0.201 0.000 0.841 2044 L CB 0.530 42.533 42.059 -0.094 0.000 1.074 2044 L HN 0.747 nan 8.230 nan 0.000 0.479 2045 A N -1.109 121.644 122.820 -0.112 0.000 2.597 2045 A HA 0.615 4.935 4.320 -0.000 0.000 0.292 2045 A C -1.229 176.304 177.584 -0.084 0.000 1.057 2045 A CA -0.286 51.707 52.037 -0.074 0.000 0.674 2045 A CB 1.689 20.728 19.000 0.065 0.000 1.278 2045 A HN -0.149 nan 8.150 nan 0.000 0.416 2046 S N 0.753 116.291 115.700 -0.269 0.000 2.720 2046 S HA 0.673 5.143 4.470 -0.000 0.000 0.278 2046 S C -1.730 172.570 174.600 -0.501 0.000 1.172 2046 S CA -0.474 57.599 58.200 -0.211 0.000 1.019 2046 S CB 0.427 63.553 63.200 -0.123 0.000 1.049 2046 S HN 0.758 nan 8.310 nan 0.000 0.483 2047 H N 3.187 122.327 119.070 0.116 0.000 2.865 2047 H HA 0.507 5.063 4.556 -0.000 0.000 0.362 2047 H C 0.540 175.944 175.328 0.128 0.000 1.114 2047 H CA -0.476 55.639 56.048 0.112 0.000 1.208 2047 H CB 1.613 31.447 29.762 0.120 0.000 1.727 2047 H HN 0.773 nan 8.280 nan 0.000 0.534 2048 R N 0.493 121.084 120.500 0.153 0.000 3.657 2048 R HA -0.246 4.094 4.340 -0.000 0.000 0.533 2048 R C 1.132 177.344 176.300 -0.146 0.000 0.241 2048 R CA 2.065 58.165 56.100 -0.000 0.000 1.659 2048 R CB -0.693 29.614 30.300 0.011 0.000 0.920 2048 R HN 0.776 nan 8.270 nan 0.000 0.599 2049 E N 1.697 121.628 120.200 -0.448 0.000 2.476 2049 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 2049 E C -0.342 176.009 176.600 -0.415 0.000 1.064 2049 E CA 0.551 56.680 56.400 -0.452 0.000 0.866 2049 E CB 0.148 29.543 29.700 -0.509 0.000 0.952 2049 E HN 0.297 nan 8.360 nan 0.000 0.492 2050 F N 1.545 121.537 119.950 0.071 0.000 2.308 2050 F HA 0.328 4.854 4.527 -0.000 0.000 0.370 2050 F C 0.195 176.047 175.800 0.087 0.000 1.100 2050 F CA -0.635 57.416 58.000 0.085 0.000 1.108 2050 F CB 1.617 40.682 39.000 0.109 0.000 1.293 2050 F HN -0.330 nan 8.300 nan 0.000 0.478 2051 T N 2.109 116.803 114.554 0.234 0.000 2.779 2051 T HA 0.504 4.854 4.350 -0.000 0.000 0.280 2051 T C -0.148 174.703 174.700 0.253 0.000 0.987 2051 T CA -0.488 61.736 62.100 0.206 0.000 0.966 2051 T CB 1.086 70.061 68.868 0.179 0.000 0.933 2051 T HN 0.414 nan 8.240 nan 0.000 0.442 2052 T N 3.649 118.344 114.554 0.235 0.000 2.809 2052 T HA 0.465 4.815 4.350 -0.000 0.000 0.284 2052 T C -1.061 173.783 174.700 0.240 0.000 0.992 2052 T CA -0.618 61.617 62.100 0.225 0.000 0.957 2052 T CB 0.623 69.572 68.868 0.135 0.000 0.942 2052 T HN 0.435 nan 8.240 nan 0.000 0.439 2053 W N 1.977 123.293 121.300 0.027 0.000 2.639 2053 W HA 0.664 5.323 4.660 -0.000 0.000 0.347 2053 W C 0.340 176.866 176.519 0.011 0.000 1.067 2053 W CA -1.128 56.226 57.345 0.015 0.000 1.218 2053 W CB 1.162 30.628 29.460 0.010 0.000 1.393 2053 W HN 0.380 nan 8.180 nan 0.000 0.557 2054 R N 1.581 122.193 120.500 0.187 0.000 2.589 2054 R HA 0.865 5.205 4.340 -0.000 0.000 0.293 2054 R C -0.660 175.729 176.300 0.149 0.000 0.963 2054 R CA -0.354 55.817 56.100 0.120 0.000 0.905 2054 R CB 1.436 31.762 30.300 0.042 0.000 1.144 2054 R HN 0.652 nan 8.270 nan 0.000 0.459 2055 A N 2.511 125.396 122.820 0.108 0.000 2.525 2055 A HA 0.504 4.824 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 -0.679 51.413 52.037 0.092 0.000 0.712 2055 A CB 1.708 20.766 19.000 0.097 0.000 1.320 2055 A HN 0.719 nan 8.150 nan 0.000 0.456 2056 E N -0.694 119.530 120.200 0.039 0.000 2.248 2056 E HA 0.590 4.940 4.350 -0.000 0.000 0.267 2056 E C -2.220 174.390 176.600 0.015 0.000 0.877 2056 E CA -0.582 55.831 56.400 0.022 0.000 0.759 2056 E CB 1.952 31.664 29.700 0.019 0.000 1.182 2056 E HN 0.440 nan 8.360 nan 0.000 0.418 2057 L N 4.233 125.460 121.223 0.007 0.000 2.441 2057 L HA 0.321 4.661 4.340 -0.000 0.000 0.270 2057 L C -1.258 175.611 176.870 -0.002 0.000 0.973 2057 L CA -0.132 54.709 54.840 0.002 0.000 0.842 2057 L CB 1.461 43.518 42.059 -0.002 0.000 1.239 2057 L HN 0.618 nan 8.230 nan 0.000 0.406 2058 D N 4.470 124.869 120.400 -0.002 0.000 2.701 2058 D HA -0.201 4.439 4.640 -0.000 0.000 0.235 2058 D C 1.182 177.481 176.300 -0.002 0.000 1.155 2058 D CA 1.601 55.599 54.000 -0.003 0.000 0.649 2058 D CB -0.945 39.851 40.800 -0.006 0.000 1.050 2058 D HN 1.202 nan 8.370 nan 0.000 0.425 2059 G N -0.996 107.805 108.800 0.001 0.000 2.184 2059 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.264 2059 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.264 2059 G C 0.241 175.140 174.900 -0.001 0.000 0.975 2059 G CA 0.730 45.831 45.100 0.001 0.000 0.642 2059 G HN 0.413 nan 8.290 nan 0.000 0.536 2060 K N 1.044 121.442 120.400 -0.002 0.000 2.182 2060 K HA 0.457 4.777 4.320 -0.000 0.000 0.262 2060 K C -2.625 173.973 176.600 -0.003 0.000 0.957 2060 K CA -1.990 54.294 56.287 -0.005 0.000 0.842 2060 K CB 2.593 35.087 32.500 -0.010 0.000 1.099 2060 K HN 0.071 nan 8.250 nan 0.000 0.438 2061 P HA 0.127 nan 4.420 nan 0.000 0.271 2061 P C -0.505 176.791 177.300 -0.006 0.000 1.216 2061 P CA -0.265 62.835 63.100 0.000 0.000 0.771 2061 P CB 0.807 32.505 31.700 -0.003 0.000 0.864 2062 V N 4.777 124.693 119.914 0.004 0.000 2.789 2062 V HA 0.354 4.474 4.120 -0.000 0.000 0.311 2062 V C 0.156 176.260 176.094 0.018 0.000 1.073 2062 V CA -0.830 61.468 62.300 -0.003 0.000 0.921 2062 V CB 2.473 34.295 31.823 -0.001 0.000 1.009 2062 V HN 0.401 nan 8.190 nan 0.000 0.426 2063 I N 3.912 124.485 120.570 0.005 0.000 2.437 2063 I HA 0.500 4.670 4.170 -0.000 0.000 0.298 2063 I C -0.271 175.880 176.117 0.057 0.000 0.984 2063 I CA -0.441 60.882 61.300 0.038 0.000 1.214 2063 I CB 1.894 39.904 38.000 0.016 0.000 1.365 2063 I HN 0.253 nan 8.210 nan 0.000 0.469 2064 V N 5.403 125.381 119.914 0.107 0.000 2.409 2064 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 2064 V C -0.430 175.753 176.094 0.148 0.000 1.020 2064 V CA -0.500 61.863 62.300 0.105 0.000 0.848 2064 V CB 2.028 33.899 31.823 0.080 0.000 0.990 2064 V HN 0.894 nan 8.190 nan 0.000 0.430 2065 C N 5.082 124.464 119.300 0.138 0.000 2.516 2065 C HA 0.689 5.149 4.460 -0.000 0.000 0.338 2065 C C 0.438 175.533 174.990 0.176 0.000 1.132 2065 C CA -0.412 58.709 59.018 0.172 0.000 1.310 2065 C CB 0.973 28.814 27.740 0.169 0.000 1.898 2065 C HN 1.041 nan 8.230 nan 0.000 0.452 2066 S N 3.349 119.162 115.700 0.188 0.000 2.584 2066 S HA 0.386 4.856 4.470 -0.000 0.000 0.273 2066 S C 0.944 175.684 174.600 0.233 0.000 1.311 2066 S CA 0.359 58.652 58.200 0.155 0.000 1.034 2066 S CB 1.380 64.635 63.200 0.092 0.000 0.939 2066 S HN 1.020 nan 8.310 nan 0.000 0.513 2067 T N -0.852 113.799 114.554 0.161 0.000 3.037 2067 T HA 0.501 4.851 4.350 -0.000 0.000 0.251 2067 T C 1.234 175.979 174.700 0.074 0.000 1.079 2067 T CA 0.241 62.460 62.100 0.200 0.000 1.067 2067 T CB -0.999 67.943 68.868 0.123 0.000 0.948 2067 T HN 1.874 nan 8.240 nan 0.000 0.496 2068 G N 1.539 110.319 108.800 -0.034 0.000 2.782 2068 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.228 2068 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.228 2068 G C -0.585 174.289 174.900 -0.043 0.000 1.372 2068 G CA -0.472 44.565 45.100 -0.105 0.000 0.862 2068 G HN 0.626 nan 8.290 nan 0.000 0.547 2069 I N 2.173 122.712 120.570 -0.052 0.000 2.371 2069 I HA 0.537 4.707 4.170 -0.000 0.000 0.290 2069 I C 1.054 177.163 176.117 -0.014 0.000 1.028 2069 I CA 0.901 62.185 61.300 -0.027 0.000 1.345 2069 I CB 0.575 38.553 38.000 -0.038 0.000 1.407 2069 I HN 1.969 nan 8.210 nan 0.000 0.501 2070 G N 3.882 112.683 108.800 0.002 0.000 2.629 2070 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 2070 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 2070 G C 0.520 175.426 174.900 0.009 0.000 1.232 2070 G CA -0.490 44.614 45.100 0.005 0.000 0.803 2070 G HN 0.901 nan 8.290 nan 0.000 0.638 2071 G N 0.652 109.455 108.800 0.005 0.000 2.476 2071 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.218 2071 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.218 2071 G C 0.156 175.062 174.900 0.010 0.000 1.164 2071 G CA 2.278 47.380 45.100 0.003 0.000 0.768 2071 G HN 0.702 nan 8.290 nan 0.000 0.560 2072 P HA -0.131 nan 4.420 nan 0.000 0.213 2072 P C 2.486 179.816 177.300 0.050 0.000 1.170 2072 P CA 2.544 65.648 63.100 0.007 0.000 0.902 2072 P CB -0.284 31.413 31.700 -0.004 0.000 0.789 2073 S N -2.080 113.662 115.700 0.069 0.000 2.402 2073 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 2073 S C 1.950 176.690 174.600 0.233 0.000 1.021 2073 S CA 1.707 60.016 58.200 0.181 0.000 0.974 2073 S CB -1.963 61.285 63.200 0.079 0.000 0.800 2073 S HN 0.090 nan 8.310 nan 0.000 0.484 2074 T N 3.108 117.731 114.554 0.115 0.000 2.720 2074 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 2074 T C 2.342 177.044 174.700 0.003 0.000 1.037 2074 T CA 1.957 64.095 62.100 0.064 0.000 1.144 2074 T CB -0.751 68.122 68.868 0.009 0.000 0.864 2074 T HN 0.797 nan 8.240 nan 0.000 0.444 2075 S N 1.188 116.897 115.700 0.016 0.000 2.382 2075 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 2075 S C 2.088 176.691 174.600 0.006 0.000 1.027 2075 S CA 0.788 58.999 58.200 0.019 0.000 0.991 2075 S CB -0.752 62.549 63.200 0.167 0.000 0.823 2075 S HN 0.515 nan 8.310 nan 0.000 0.469 2076 I N 2.265 122.829 120.570 -0.009 0.000 2.179 2076 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 2076 I C 3.140 179.137 176.117 -0.199 0.000 1.088 2076 I CA 1.172 62.403 61.300 -0.115 0.000 1.357 2076 I CB -0.758 37.099 38.000 -0.239 0.000 1.051 2076 I HN 0.442 nan 8.210 nan 0.000 0.409 2077 A N 0.496 123.199 122.820 -0.196 0.000 1.865 2077 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 2077 A C 2.428 179.968 177.584 -0.074 0.000 1.191 2077 A CA 1.986 53.910 52.037 -0.188 0.000 0.623 2077 A CB -1.054 17.965 19.000 0.032 0.000 0.826 2077 A HN 0.237 nan 8.150 nan 0.000 0.444 2078 V N 0.183 120.017 119.914 -0.132 0.000 2.295 2078 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 2078 V C 2.633 178.629 176.094 -0.163 0.000 1.049 2078 V CA 2.457 64.569 62.300 -0.313 0.000 1.024 2078 V CB -0.792 30.642 31.823 -0.649 0.000 0.648 2078 V HN 0.756 nan 8.190 nan 0.000 0.447 2079 E N 0.963 121.098 120.200 -0.108 0.000 2.058 2079 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 2079 E C 2.083 178.702 176.600 0.033 0.000 0.997 2079 E CA 2.082 58.472 56.400 -0.016 0.000 0.801 2079 E CB -0.298 29.427 29.700 0.042 0.000 0.746 2079 E HN 0.687 nan 8.360 nan 0.000 0.450 2080 E N -0.306 119.904 120.200 0.017 0.000 2.152 2080 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 2080 E C 2.271 178.907 176.600 0.061 0.000 0.983 2080 E CA 0.756 57.175 56.400 0.032 0.000 0.818 2080 E CB -0.081 29.617 29.700 -0.004 0.000 0.758 2080 E HN 0.295 nan 8.360 nan 0.000 0.467 2081 L N 0.669 121.954 121.223 0.104 0.000 2.046 2081 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 2081 L C 2.594 179.576 176.870 0.187 0.000 1.077 2081 L CA 0.984 55.925 54.840 0.168 0.000 0.747 2081 L CB -0.434 41.815 42.059 0.316 0.000 0.896 2081 L HN 0.142 nan 8.230 nan 0.000 0.432 2082 A N -0.549 122.429 122.820 0.262 0.000 1.908 2082 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 2082 A C 2.207 179.857 177.584 0.109 0.000 1.181 2082 A CA 1.608 53.777 52.037 0.220 0.000 0.627 2082 A CB -0.509 18.606 19.000 0.192 0.000 0.818 2082 A HN 0.472 nan 8.150 nan 0.000 0.445 2083 Q N -1.240 118.611 119.800 0.085 0.000 2.181 2083 Q HA -0.126 4.214 4.340 -0.000 0.000 0.205 2083 Q C 1.451 177.478 176.000 0.047 0.000 0.980 2083 Q CA 1.021 56.859 55.803 0.058 0.000 0.862 2083 Q CB -0.181 28.589 28.738 0.053 0.000 0.905 2083 Q HN 0.473 nan 8.270 nan 0.000 0.429 2084 L N -1.515 119.737 121.223 0.048 0.000 2.554 2084 L HA 0.099 4.439 4.340 -0.000 0.000 0.226 2084 L C 1.370 178.251 176.870 0.019 0.000 1.137 2084 L CA 1.581 56.440 54.840 0.030 0.000 0.863 2084 L CB -0.001 42.075 42.059 0.029 0.000 0.985 2084 L HN 0.383 nan 8.230 nan 0.000 0.451 2085 G N -1.461 107.353 108.800 0.024 0.000 2.205 2085 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.180 2085 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.180 2085 G C 0.320 175.204 174.900 -0.027 0.000 1.004 2085 G CA -0.458 44.645 45.100 0.005 0.000 0.670 2085 G HN 0.058 nan 8.290 nan 0.000 0.496 2086 I N 1.108 121.647 120.570 -0.051 0.000 2.618 2086 I HA 0.304 4.474 4.170 -0.000 0.000 0.284 2086 I C 1.323 177.331 176.117 -0.182 0.000 1.146 2086 I CA 0.284 61.459 61.300 -0.208 0.000 1.425 2086 I CB 0.960 38.722 38.000 -0.397 0.000 1.383 2086 I HN 0.098 nan 8.210 nan 0.000 0.562 2087 R N 2.916 123.278 120.500 -0.230 0.000 2.469 2087 R HA 0.196 4.536 4.340 -0.000 0.000 0.250 2087 R C -0.268 175.972 176.300 -0.100 0.000 0.909 2087 R CA 0.202 56.258 56.100 -0.074 0.000 1.050 2087 R CB 0.627 30.911 30.300 -0.027 0.000 1.256 2087 R HN 0.544 nan 8.270 nan 0.000 0.550 2088 T N 1.186 115.542 114.554 -0.330 0.000 2.879 2088 T HA 0.557 4.907 4.350 -0.000 0.000 0.290 2088 T C -1.024 173.421 174.700 -0.425 0.000 0.993 2088 T CA -0.309 61.668 62.100 -0.205 0.000 0.975 2088 T CB 1.234 70.032 68.868 -0.117 0.000 0.981 2088 T HN -0.151 nan 8.240 nan 0.000 0.439 2089 F N 2.764 122.711 119.950 -0.005 0.000 2.477 2089 F HA 0.567 5.094 4.527 -0.000 0.000 0.335 2089 F C -0.197 175.600 175.800 -0.005 0.000 1.130 2089 F CA -1.049 56.948 58.000 -0.005 0.000 0.948 2089 F CB 1.316 40.308 39.000 -0.012 0.000 1.154 2089 F HN 0.212 nan 8.300 nan 0.000 0.439 2090 L N 4.449 125.751 121.223 0.133 0.000 2.294 2090 L HA 0.510 4.850 4.340 -0.000 0.000 0.283 2090 L C -0.018 176.903 176.870 0.085 0.000 1.015 2090 L CA -0.647 54.242 54.840 0.082 0.000 0.831 2090 L CB 1.644 43.722 42.059 0.032 0.000 1.217 2090 L HN 0.596 nan 8.230 nan 0.000 0.420 2091 R N 4.108 124.653 120.500 0.076 0.000 2.308 2091 R HA 0.484 4.824 4.340 -0.000 0.000 0.305 2091 R C -0.996 175.327 176.300 0.039 0.000 1.053 2091 R CA -0.428 55.708 56.100 0.060 0.000 0.957 2091 R CB 1.217 31.546 30.300 0.048 0.000 1.022 2091 R HN 0.496 nan 8.270 nan 0.000 0.461 2092 I N 4.105 124.696 120.570 0.035 0.000 2.447 2092 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 2092 I C -0.715 175.415 176.117 0.023 0.000 1.023 2092 I CA -0.080 61.235 61.300 0.024 0.000 1.083 2092 I CB 1.427 39.437 38.000 0.018 0.000 1.245 2092 I HN 0.869 nan 8.210 nan 0.000 0.434 2093 G N 4.547 113.360 108.800 0.022 0.000 2.949 2093 G HA2 0.676 4.636 3.960 -0.000 0.000 0.285 2093 G HA3 0.676 4.636 3.960 -0.000 0.000 0.285 2093 G C -0.934 173.980 174.900 0.024 0.000 1.395 2093 G CA -0.405 44.708 45.100 0.023 0.000 0.901 2093 G HN 0.578 nan 8.290 nan 0.000 0.519 2094 T N -2.704 111.867 114.554 0.028 0.000 2.925 2094 T HA 0.741 5.091 4.350 -0.000 0.000 0.285 2094 T C -0.311 174.415 174.700 0.044 0.000 1.021 2094 T CA -0.585 61.536 62.100 0.034 0.000 1.042 2094 T CB 2.026 70.915 68.868 0.035 0.000 1.037 2094 T HN 0.871 nan 8.240 nan 0.000 0.481 2095 T N -0.084 114.495 114.554 0.042 0.000 2.853 2095 T HA 0.666 5.016 4.350 -0.000 0.000 0.311 2095 T C -0.531 174.188 174.700 0.033 0.000 1.307 2095 T CA -0.433 61.691 62.100 0.039 0.000 1.019 2095 T CB 1.372 70.255 68.868 0.025 0.000 1.264 2095 T HN 1.155 nan 8.240 nan 0.000 0.497 2096 G N 1.499 110.318 108.800 0.032 0.000 2.335 2096 G HA2 0.648 4.608 3.960 -0.000 0.000 0.314 2096 G HA3 0.648 4.608 3.960 -0.000 0.000 0.314 2096 G C -0.059 174.843 174.900 0.004 0.000 1.129 2096 G CA -0.231 44.883 45.100 0.023 0.000 0.912 2096 G HN 0.973 nan 8.290 nan 0.000 0.443 2097 A N 2.231 125.035 122.820 -0.026 0.000 2.354 2097 A HA 0.563 4.883 4.320 -0.000 0.000 0.269 2097 A C 1.042 178.581 177.584 -0.076 0.000 1.109 2097 A CA -0.500 51.489 52.037 -0.079 0.000 0.800 2097 A CB 0.305 19.241 19.000 -0.108 0.000 1.045 2097 A HN 1.278 nan 8.150 nan 0.000 0.489 2098 I N -2.013 118.487 120.570 -0.117 0.000 4.154 2098 I HA 0.258 4.428 4.170 -0.000 0.000 0.334 2098 I C -0.194 175.873 176.117 -0.084 0.000 1.371 2098 I CA -0.303 60.946 61.300 -0.085 0.000 1.110 2098 I CB 0.241 38.165 38.000 -0.127 0.000 1.085 2098 I HN 0.318 nan 8.210 nan 0.000 0.398 2099 Q N 2.754 122.464 119.800 -0.149 0.000 2.256 2099 Q HA 0.391 4.731 4.340 -0.000 0.000 0.257 2099 Q C -1.821 174.075 176.000 -0.173 0.000 0.936 2099 Q CA -2.165 53.543 55.803 -0.159 0.000 0.903 2099 Q CB 1.862 30.421 28.738 -0.297 0.000 1.263 2099 Q HN 0.039 nan 8.270 nan 0.000 0.440 2100 P HA -0.147 nan 4.420 nan 0.000 0.222 2100 P C 0.710 178.007 177.300 -0.005 0.000 1.147 2100 P CA 1.402 64.498 63.100 -0.007 0.000 0.790 2100 P CB 0.164 31.892 31.700 0.047 0.000 0.780 2101 H N -1.428 117.611 119.070 -0.053 0.000 2.553 2101 H HA 0.244 4.800 4.556 -0.000 0.000 0.265 2101 H C 0.581 175.868 175.328 -0.068 0.000 0.964 2101 H CA -0.335 55.687 56.048 -0.042 0.000 1.156 2101 H CB -0.502 29.241 29.762 -0.033 0.000 1.411 2101 H HN 0.120 nan 8.280 nan 0.000 0.558 2102 I N 3.311 123.563 120.570 -0.530 0.000 2.325 2102 I HA 0.063 4.233 4.170 -0.000 0.000 0.291 2102 I C -0.209 175.838 176.117 -0.117 0.000 1.019 2102 I CA -0.460 60.606 61.300 -0.389 0.000 1.302 2102 I CB 0.777 38.448 38.000 -0.548 0.000 1.401 2102 I HN 0.086 nan 8.210 nan 0.000 0.485 2103 N N 5.191 123.895 118.700 0.007 0.000 2.489 2103 N HA 0.296 5.036 4.740 -0.000 0.000 0.284 2103 N C -0.446 175.080 175.510 0.027 0.000 1.158 2103 N CA -0.606 52.459 53.050 0.023 0.000 0.965 2103 N CB 1.922 40.439 38.487 0.050 0.000 1.195 2103 N HN 0.177 nan 8.380 nan 0.000 0.506 2104 V N 0.954 120.879 119.914 0.019 0.000 2.617 2104 V HA 0.205 4.325 4.120 -0.000 0.000 0.304 2104 V C 1.495 177.605 176.094 0.028 0.000 1.040 2104 V CA 1.590 63.902 62.300 0.020 0.000 1.149 2104 V CB 0.118 31.950 31.823 0.014 0.000 0.914 2104 V HN 1.065 nan 8.190 nan 0.000 0.487 2105 G N 3.940 112.760 108.800 0.032 0.000 2.232 2105 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 2105 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 2105 G C -0.010 174.939 174.900 0.081 0.000 0.996 2105 G CA 0.004 45.127 45.100 0.038 0.000 0.626 2105 G HN 0.666 nan 8.290 nan 0.000 0.509 2106 D N 0.261 120.712 120.400 0.085 0.000 2.378 2106 D HA 0.458 5.098 4.640 -0.000 0.000 0.238 2106 D C 0.555 176.911 176.300 0.093 0.000 1.180 2106 D CA 0.197 54.261 54.000 0.106 0.000 0.895 2106 D CB 1.531 42.434 40.800 0.173 0.000 1.192 2106 D HN 0.240 nan 8.370 nan 0.000 0.438 2107 V N 2.070 122.026 119.914 0.071 0.000 2.459 2107 V HA 0.348 4.467 4.120 -0.000 0.000 0.295 2107 V C 0.022 176.150 176.094 0.056 0.000 1.029 2107 V CA -0.717 61.612 62.300 0.048 0.000 0.874 2107 V CB 1.263 33.092 31.823 0.010 0.000 0.985 2107 V HN 0.267 nan 8.190 nan 0.000 0.438 2108 L N 5.284 126.539 121.223 0.053 0.000 2.333 2108 L HA 0.620 4.960 4.340 -0.000 0.000 0.280 2108 L C -0.684 176.203 176.870 0.029 0.000 1.004 2108 L CA -0.800 54.075 54.840 0.057 0.000 0.820 2108 L CB 1.985 44.071 42.059 0.045 0.000 1.247 2108 L HN 0.327 nan 8.230 nan 0.000 0.416 2109 V N 1.919 121.849 119.914 0.026 0.000 2.347 2109 V HA 0.256 4.376 4.120 -0.000 0.000 0.280 2109 V C 0.352 176.453 176.094 0.012 0.000 1.021 2109 V CA -0.392 61.914 62.300 0.010 0.000 0.847 2109 V CB 1.600 33.420 31.823 -0.005 0.000 0.990 2109 V HN 0.736 nan 8.190 nan 0.000 0.444 2110 T N 3.753 118.311 114.554 0.007 0.000 2.794 2110 T HA 0.178 4.527 4.350 -0.000 0.000 0.296 2110 T C 1.367 176.072 174.700 0.009 0.000 0.949 2110 T CA 0.246 62.348 62.100 0.003 0.000 1.101 2110 T CB 1.148 70.014 68.868 -0.003 0.000 0.905 2110 T HN 0.961 nan 8.240 nan 0.000 0.516 2111 T N 0.671 115.232 114.554 0.013 0.000 2.976 2111 T HA 0.491 4.841 4.350 -0.000 0.000 0.257 2111 T C 0.717 175.430 174.700 0.022 0.000 1.051 2111 T CA 0.239 62.354 62.100 0.026 0.000 1.141 2111 T CB 0.194 69.083 68.868 0.035 0.000 0.881 2111 T HN 0.758 nan 8.240 nan 0.000 0.461 2112 A N 0.023 122.846 122.820 0.005 0.000 2.601 2112 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 2112 A C -1.067 176.502 177.584 -0.024 0.000 1.075 2112 A CA -0.831 51.205 52.037 -0.002 0.000 0.671 2112 A CB 1.303 20.300 19.000 -0.004 0.000 1.277 2112 A HN 0.188 nan 8.150 nan 0.000 0.417 2113 S N -0.262 115.422 115.700 -0.027 0.000 2.513 2113 S HA 0.574 5.044 4.470 -0.000 0.000 0.299 2113 S C -0.366 174.183 174.600 -0.086 0.000 1.087 2113 S CA -0.540 57.624 58.200 -0.060 0.000 1.012 2113 S CB 1.673 64.850 63.200 -0.039 0.000 1.044 2113 S HN 0.908 nan 8.310 nan 0.000 0.485 2114 V N 3.500 123.307 119.914 -0.179 0.000 2.485 2114 V HA 0.127 4.247 4.120 -0.000 0.000 0.287 2114 V C 0.665 176.679 176.094 -0.134 0.000 1.022 2114 V CA 0.110 62.264 62.300 -0.244 0.000 1.067 2114 V CB -0.374 31.086 31.823 -0.604 0.000 0.967 2114 V HN 0.690 nan 8.190 nan 0.000 0.479 2115 R N 5.460 125.938 120.500 -0.038 0.000 2.893 2115 R HA 0.277 4.617 4.340 -0.000 0.000 0.243 2115 R C 0.053 176.402 176.300 0.081 0.000 1.481 2115 R CA -0.081 56.038 56.100 0.032 0.000 1.250 2115 R CB -0.026 30.317 30.300 0.070 0.000 1.213 2115 R HN 0.674 nan 8.270 nan 0.000 0.609 2116 L N 2.547 123.823 121.223 0.088 0.000 2.912 2116 L HA 0.147 4.487 4.340 -0.000 0.000 0.240 2116 L C 0.192 177.158 176.870 0.160 0.000 1.262 2116 L CA -0.253 54.708 54.840 0.202 0.000 1.058 2116 L CB -0.685 41.535 42.059 0.268 0.000 1.383 2116 L HN 0.530 nan 8.230 nan 0.000 0.512 2117 D N -1.528 118.938 120.400 0.111 0.000 2.553 2117 D HA 0.312 4.952 4.640 -0.000 0.000 0.249 2117 D C 0.680 177.023 176.300 0.072 0.000 1.062 2117 D CA -0.370 53.674 54.000 0.074 0.000 1.085 2117 D CB 1.944 42.772 40.800 0.045 0.000 1.350 2117 D HN -0.066 nan 8.370 nan 0.000 0.575 2118 G N -0.932 107.886 108.800 0.031 0.000 2.651 2118 G HA2 0.214 4.174 3.960 -0.000 0.000 0.207 2118 G HA3 0.214 4.174 3.960 -0.000 0.000 0.207 2118 G C 1.308 176.166 174.900 -0.070 0.000 1.131 2118 G CA 0.649 45.758 45.100 0.016 0.000 0.816 2118 G HN 0.610 nan 8.290 nan 0.000 0.534 2119 A N 1.760 124.499 122.820 -0.134 0.000 1.930 2119 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 2119 A C 2.704 180.315 177.584 0.046 0.000 1.175 2119 A CA 2.453 54.352 52.037 -0.230 0.000 0.627 2119 A CB -0.770 18.179 19.000 -0.084 0.000 0.815 2119 A HN 0.746 nan 8.150 nan 0.000 0.443 2120 S N 0.511 116.285 115.700 0.123 0.000 2.374 2120 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 2120 S C 1.779 176.510 174.600 0.217 0.000 1.037 2120 S CA 1.631 59.955 58.200 0.207 0.000 1.024 2120 S CB -0.943 62.334 63.200 0.129 0.000 0.861 2120 S HN 0.459 nan 8.310 nan 0.000 0.456 2121 L N 0.855 122.183 121.223 0.175 0.000 2.349 2121 L HA -0.097 4.243 4.340 -0.000 0.000 0.220 2121 L C 2.427 179.389 176.870 0.155 0.000 1.130 2121 L CA 1.389 56.329 54.840 0.167 0.000 0.791 2121 L CB -0.835 41.327 42.059 0.172 0.000 0.918 2121 L HN 0.535 nan 8.230 nan 0.000 0.444 2122 H N -2.051 116.945 119.070 -0.124 0.000 2.551 2122 H HA 0.026 4.582 4.556 -0.000 0.000 0.266 2122 H C 1.368 176.331 175.328 -0.608 0.000 0.977 2122 H CA 0.455 56.285 56.048 -0.364 0.000 1.163 2122 H CB 0.424 29.898 29.762 -0.479 0.000 1.381 2122 H HN 0.335 nan 8.280 nan 0.000 0.581 2123 F N -0.106 119.866 119.950 0.036 0.000 2.592 2123 F HA 0.417 4.944 4.527 -0.000 0.000 0.280 2123 F C 0.928 176.640 175.800 -0.147 0.000 1.083 2123 F CA 0.047 58.010 58.000 -0.063 0.000 1.365 2123 F CB 0.896 39.842 39.000 -0.090 0.000 1.100 2123 F HN -0.046 nan 8.300 nan 0.000 0.633 2124 A N 0.211 123.043 122.820 0.022 0.000 2.594 2124 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 2124 A C -2.752 174.843 177.584 0.018 0.000 1.071 2124 A CA -1.473 50.502 52.037 -0.102 0.000 0.685 2124 A CB 0.704 19.433 19.000 -0.453 0.000 1.285 2124 A HN -0.179 nan 8.150 nan 0.000 0.405 2125 P HA 0.152 nan 4.420 nan 0.000 0.273 2125 P C 0.793 178.170 177.300 0.129 0.000 1.250 2125 P CA -0.351 62.795 63.100 0.078 0.000 0.793 2125 P CB 0.646 32.388 31.700 0.070 0.000 1.011 2126 L N 1.150 122.439 121.223 0.111 0.000 2.131 2126 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 2126 L C 2.192 179.143 176.870 0.135 0.000 1.092 2126 L CA 1.799 56.711 54.840 0.120 0.000 0.759 2126 L CB -1.426 40.691 42.059 0.096 0.000 0.903 2126 L HN 0.442 nan 8.230 nan 0.000 0.435 2127 E N -1.084 119.193 120.200 0.129 0.000 2.409 2127 E HA -0.247 4.103 4.350 -0.000 0.000 0.198 2127 E C 0.733 177.411 176.600 0.130 0.000 1.024 2127 E CA 0.128 56.594 56.400 0.110 0.000 0.861 2127 E CB -0.735 29.018 29.700 0.088 0.000 0.788 2127 E HN 0.441 nan 8.360 nan 0.000 0.521 2128 F N 3.944 123.917 119.950 0.038 0.000 2.427 2128 F HA 0.247 4.774 4.527 -0.000 0.000 0.352 2128 F C -2.069 173.752 175.800 0.033 0.000 1.100 2128 F CA -2.708 55.314 58.000 0.037 0.000 1.191 2128 F CB 0.836 39.863 39.000 0.045 0.000 1.128 2128 F HN -0.182 nan 8.300 nan 0.000 0.533 2129 P HA 0.139 nan 4.420 nan 0.000 0.281 2129 P C -1.174 176.174 177.300 0.081 0.000 1.252 2129 P CA -0.373 62.668 63.100 -0.099 0.000 0.778 2129 P CB 1.277 32.844 31.700 -0.223 0.000 0.895 2130 A N 4.001 126.886 122.820 0.108 0.000 3.063 2130 A HA 0.247 4.567 4.320 -0.000 0.000 0.263 2130 A C 0.277 177.897 177.584 0.061 0.000 1.736 2130 A CA -0.317 51.788 52.037 0.114 0.000 1.408 2130 A CB -0.969 18.074 19.000 0.073 0.000 1.108 2130 A HN 0.469 nan 8.150 nan 0.000 0.621 2131 V N 1.909 121.861 119.914 0.063 0.000 2.481 2131 V HA 0.677 4.797 4.120 -0.000 0.000 0.286 2131 V C 0.651 176.781 176.094 0.059 0.000 1.042 2131 V CA -0.221 62.100 62.300 0.036 0.000 0.928 2131 V CB 1.259 33.080 31.823 -0.004 0.000 0.986 2131 V HN 0.902 nan 8.190 nan 0.000 0.462 2132 A N 4.351 127.202 122.820 0.052 0.000 2.366 2132 A HA 0.351 4.671 4.320 -0.000 0.000 0.249 2132 A C 0.122 177.756 177.584 0.082 0.000 1.084 2132 A CA -0.154 51.918 52.037 0.058 0.000 0.794 2132 A CB 0.092 19.117 19.000 0.042 0.000 1.034 2132 A HN 1.040 nan 8.150 nan 0.000 0.491 2133 D N 0.157 120.607 120.400 0.083 0.000 2.425 2133 D HA 0.100 4.739 4.640 -0.000 0.000 0.247 2133 D C 0.697 177.068 176.300 0.118 0.000 1.147 2133 D CA 0.074 54.138 54.000 0.107 0.000 0.879 2133 D CB 0.133 40.986 40.800 0.088 0.000 1.179 2133 D HN 0.413 nan 8.370 nan 0.000 0.456 2134 F N 2.920 122.879 119.950 0.016 0.000 2.134 2134 F HA -0.117 4.410 4.527 0.000 0.000 0.299 2134 F C 1.824 177.630 175.800 0.009 0.000 1.097 2134 F CA 1.382 59.387 58.000 0.009 0.000 1.264 2134 F CB 0.151 39.155 39.000 0.006 0.000 1.001 2134 F HN 0.537 nan 8.300 nan 0.000 0.479 2135 E N -0.523 119.649 120.200 -0.047 0.000 2.072 2135 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 2135 E C 2.330 178.836 176.600 -0.156 0.000 0.985 2135 E CA 1.493 57.807 56.400 -0.142 0.000 0.801 2135 E CB -0.437 29.261 29.700 -0.003 0.000 0.750 2135 E HN 0.451 nan 8.360 nan 0.000 0.452 2136 C N 0.428 119.681 119.300 -0.078 0.000 2.432 2136 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 2136 C C 2.871 177.806 174.990 -0.092 0.000 1.249 2136 C CA 1.124 60.107 59.018 -0.058 0.000 1.725 2136 C CB -0.988 26.750 27.740 -0.005 0.000 2.028 2136 C HN 0.504 nan 8.230 nan 0.000 0.477 2137 T N 0.733 115.221 114.554 -0.110 0.000 2.684 2137 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 2137 T C 1.786 176.368 174.700 -0.196 0.000 1.036 2137 T CA 2.279 64.306 62.100 -0.122 0.000 1.148 2137 T CB -0.582 68.233 68.868 -0.088 0.000 0.863 2137 T HN 0.606 nan 8.240 nan 0.000 0.436 2138 T N 1.928 116.268 114.554 -0.356 0.000 2.684 2138 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 2138 T C 2.393 176.975 174.700 -0.195 0.000 1.036 2138 T CA 1.268 63.155 62.100 -0.355 0.000 1.148 2138 T CB -0.615 67.923 68.868 -0.551 0.000 0.863 2138 T HN 0.451 nan 8.240 nan 0.000 0.436 2139 A N 1.078 123.801 122.820 -0.161 0.000 1.908 2139 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 2139 A C 2.318 179.853 177.584 -0.082 0.000 1.181 2139 A CA 1.316 53.292 52.037 -0.102 0.000 0.627 2139 A CB -0.872 18.081 19.000 -0.079 0.000 0.818 2139 A HN 0.478 nan 8.150 nan 0.000 0.445 2140 L N -0.772 120.403 121.223 -0.079 0.000 2.017 2140 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 2140 L C 2.552 179.384 176.870 -0.065 0.000 1.073 2140 L CA 1.088 55.892 54.840 -0.060 0.000 0.745 2140 L CB -0.553 41.479 42.059 -0.046 0.000 0.894 2140 L HN 0.246 nan 8.230 nan 0.000 0.432 2141 V N -0.282 119.586 119.914 -0.077 0.000 2.295 2141 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 2141 V C 2.407 178.460 176.094 -0.069 0.000 1.049 2141 V CA 1.873 64.132 62.300 -0.070 0.000 1.024 2141 V CB -0.361 31.419 31.823 -0.072 0.000 0.648 2141 V HN 0.402 nan 8.190 nan 0.000 0.447 2142 E N -0.108 120.046 120.200 -0.076 0.000 2.077 2142 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 2142 E C 2.277 178.840 176.600 -0.061 0.000 0.989 2142 E CA 1.354 57.715 56.400 -0.065 0.000 0.800 2142 E CB -0.386 29.274 29.700 -0.067 0.000 0.746 2142 E HN 0.579 nan 8.360 nan 0.000 0.452 2143 A N 0.896 123.679 122.820 -0.062 0.000 1.908 2143 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 2143 A C 2.358 179.900 177.584 -0.070 0.000 1.181 2143 A CA 1.909 53.911 52.037 -0.058 0.000 0.627 2143 A CB -0.837 18.131 19.000 -0.053 0.000 0.818 2143 A HN 0.345 nan 8.150 nan 0.000 0.445 2144 A N -0.833 121.942 122.820 -0.075 0.000 1.969 2144 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 2144 A C 2.055 179.580 177.584 -0.099 0.000 1.169 2144 A CA 2.145 54.125 52.037 -0.095 0.000 0.635 2144 A CB -0.338 18.610 19.000 -0.087 0.000 0.810 2144 A HN 0.407 nan 8.150 nan 0.000 0.445 2145 K N 0.478 120.831 120.400 -0.078 0.000 2.097 2145 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 2145 K C 2.347 178.908 176.600 -0.065 0.000 1.050 2145 K CA 1.618 57.864 56.287 -0.068 0.000 0.938 2145 K CB -0.274 32.194 32.500 -0.054 0.000 0.718 2145 K HN 0.612 nan 8.250 nan 0.000 0.442 2146 S N 0.004 115.666 115.700 -0.063 0.000 2.461 2146 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 2146 S C 1.753 176.316 174.600 -0.061 0.000 1.005 2146 S CA 0.818 58.986 58.200 -0.053 0.000 0.942 2146 S CB -0.386 62.787 63.200 -0.045 0.000 0.776 2146 S HN 0.403 nan 8.310 nan 0.000 0.514 2147 I N -1.783 118.735 120.570 -0.086 0.000 3.956 2147 I HA 0.573 4.743 4.170 -0.000 0.000 0.333 2147 I C 1.326 177.355 176.117 -0.146 0.000 1.302 2147 I CA 0.384 61.619 61.300 -0.107 0.000 1.122 2147 I CB -0.187 37.736 38.000 -0.128 0.000 1.013 2147 I HN 0.280 nan 8.210 nan 0.000 0.405 2148 G N 1.470 110.193 108.800 -0.129 0.000 2.179 2148 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 2148 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 2148 G C 0.467 175.277 174.900 -0.149 0.000 1.010 2148 G CA 0.143 45.176 45.100 -0.111 0.000 0.736 2148 G HN 1.021 nan 8.290 nan 0.000 0.513 2149 A N 0.077 122.745 122.820 -0.253 0.000 2.445 2149 A HA 0.671 4.991 4.320 -0.000 0.000 0.242 2149 A C 1.067 178.572 177.584 -0.133 0.000 1.075 2149 A CA 1.065 52.939 52.037 -0.272 0.000 0.777 2149 A CB 0.357 19.109 19.000 -0.413 0.000 1.013 2149 A HN 1.860 nan 8.150 nan 0.000 0.493 2150 T N 1.204 115.715 114.554 -0.072 0.000 2.799 2150 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 2150 T C 0.019 174.611 174.700 -0.180 0.000 0.947 2150 T CA 0.232 62.266 62.100 -0.109 0.000 1.141 2150 T CB -0.319 68.512 68.868 -0.062 0.000 0.891 2150 T HN 0.588 nan 8.240 nan 0.000 0.533 2151 T N 5.353 119.736 114.554 -0.285 0.000 2.886 2151 T HA 0.437 4.787 4.350 -0.000 0.000 0.292 2151 T C -0.970 173.484 174.700 -0.411 0.000 1.012 2151 T CA -0.762 61.188 62.100 -0.250 0.000 0.982 2151 T CB 0.959 69.747 68.868 -0.133 0.000 1.018 2151 T HN 0.726 nan 8.240 nan 0.000 0.451 2152 H N 0.883 119.959 119.070 0.010 0.000 2.524 2152 H HA 0.636 5.192 4.556 -0.000 0.000 0.353 2152 H C -0.936 174.398 175.328 0.009 0.000 1.136 2152 H CA -0.617 55.444 56.048 0.022 0.000 1.193 2152 H CB 1.973 31.751 29.762 0.027 0.000 1.558 2152 H HN 0.258 nan 8.280 nan 0.000 0.515 2153 V N 1.861 121.851 119.914 0.128 0.000 2.487 2153 V HA 0.688 4.808 4.120 -0.000 0.000 0.298 2153 V C 0.463 176.597 176.094 0.066 0.000 1.028 2153 V CA -0.194 62.146 62.300 0.067 0.000 0.860 2153 V CB 1.397 33.243 31.823 0.038 0.000 0.991 2153 V HN 1.118 nan 8.190 nan 0.000 0.427 2154 G N 3.214 112.040 108.800 0.043 0.000 2.360 2154 G HA2 0.370 4.330 3.960 -0.000 0.000 0.276 2154 G HA3 0.370 4.330 3.960 -0.000 0.000 0.276 2154 G C -1.420 173.482 174.900 0.003 0.000 1.256 2154 G CA -0.419 44.698 45.100 0.028 0.000 0.890 2154 G HN 0.506 nan 8.290 nan 0.000 0.486 2155 V N 0.744 120.650 119.914 -0.013 0.000 2.607 2155 V HA 0.628 4.748 4.120 -0.000 0.000 0.289 2155 V C 0.335 176.379 176.094 -0.083 0.000 1.053 2155 V CA 0.044 62.318 62.300 -0.045 0.000 0.996 2155 V CB 1.337 33.131 31.823 -0.048 0.000 0.995 2155 V HN 0.772 nan 8.190 nan 0.000 0.476 2156 T N 3.607 118.099 114.554 -0.102 0.000 2.841 2156 T HA 0.649 4.999 4.350 -0.000 0.000 0.283 2156 T C -0.149 174.435 174.700 -0.193 0.000 1.000 2156 T CA -0.281 61.741 62.100 -0.129 0.000 0.977 2156 T CB 1.609 70.434 68.868 -0.072 0.000 0.979 2156 T HN 0.910 nan 8.240 nan 0.000 0.446 2157 A N 2.336 124.993 122.820 -0.271 0.000 2.276 2157 A HA 0.659 4.979 4.320 -0.000 0.000 0.300 2157 A C 0.281 177.825 177.584 -0.067 0.000 1.235 2157 A CA -0.481 51.361 52.037 -0.326 0.000 0.867 2157 A CB 0.487 19.115 19.000 -0.620 0.000 1.137 2157 A HN 0.633 nan 8.150 nan 0.000 0.527 2158 S N 1.911 117.579 115.700 -0.053 0.000 2.474 2158 S HA 0.569 5.039 4.470 -0.000 0.000 0.321 2158 S C -0.273 174.345 174.600 0.029 0.000 1.080 2158 S CA -0.324 57.880 58.200 0.006 0.000 1.106 2158 S CB 0.592 63.786 63.200 -0.010 0.000 0.984 2158 S HN 1.077 nan 8.310 nan 0.000 0.464 2159 S N 3.455 119.170 115.700 0.025 0.000 2.473 2159 S HA 0.359 4.829 4.470 -0.000 0.000 0.307 2159 S C 0.365 174.948 174.600 -0.028 0.000 1.094 2159 S CA -0.622 57.571 58.200 -0.012 0.000 1.070 2159 S CB 1.265 64.390 63.200 -0.125 0.000 1.019 2159 S HN 0.707 nan 8.310 nan 0.000 0.480 2160 D N 2.348 122.741 120.400 -0.011 0.000 2.384 2160 D HA 0.057 4.697 4.640 -0.000 0.000 0.222 2160 D C 0.849 177.131 176.300 -0.029 0.000 0.976 2160 D CA 1.080 55.075 54.000 -0.008 0.000 0.915 2160 D CB 0.090 40.901 40.800 0.017 0.000 0.896 2160 D HN 0.740 nan 8.370 nan 0.000 0.523 2161 T N -4.181 110.321 114.554 -0.085 0.000 2.906 2161 T HA 0.306 4.656 4.350 -0.000 0.000 0.295 2161 T C 0.491 175.126 174.700 -0.109 0.000 1.075 2161 T CA -0.911 61.151 62.100 -0.065 0.000 1.005 2161 T CB 1.261 70.080 68.868 -0.081 0.000 1.136 2161 T HN -0.117 nan 8.240 nan 0.000 0.498 2162 F N 0.099 119.912 119.950 -0.228 0.000 2.387 2162 F HA 0.193 4.720 4.527 0.000 0.000 0.294 2162 F C 1.040 176.489 175.800 -0.584 0.000 1.093 2162 F CA 0.682 58.432 58.000 -0.417 0.000 1.420 2162 F CB -0.069 38.643 39.000 -0.480 0.000 1.086 2162 F HN 0.672 nan 8.300 nan 0.000 0.531 2163 Y N 0.931 121.210 120.300 -0.034 0.000 2.475 2163 Y HA 0.115 4.665 4.550 -0.000 0.000 0.247 2163 Y C -0.371 175.356 175.900 -0.288 0.000 1.023 2163 Y CA 0.467 58.490 58.100 -0.127 0.000 1.058 2163 Y CB -2.188 36.273 38.460 0.001 0.000 1.033 2163 Y HN -0.201 nan 8.280 nan 0.000 0.472 2164 P HA -0.117 nan 4.420 nan 0.000 0.215 2164 P C 1.550 178.558 177.300 -0.487 0.000 1.153 2164 P CA 2.286 65.235 63.100 -0.252 0.000 0.853 2164 P CB -0.337 31.272 31.700 -0.152 0.000 0.788 2165 G N -0.188 108.214 108.800 -0.663 0.000 2.498 2165 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 2165 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 2165 G C 1.274 175.736 174.900 -0.730 0.000 1.119 2165 G CA 0.365 44.840 45.100 -1.042 0.000 0.766 2165 G HN 0.400 nan 8.290 nan 0.000 0.552 2166 Q N -0.665 118.673 119.800 -0.770 0.000 2.175 2166 Q HA 0.237 4.577 4.340 -0.000 0.000 0.225 2166 Q C 0.001 175.655 176.000 -0.577 0.000 0.837 2166 Q CA -0.310 54.766 55.803 -1.212 0.000 1.032 2166 Q CB 0.514 28.429 28.738 -1.372 0.000 1.137 2166 Q HN 0.543 nan 8.270 nan 0.000 0.483 2167 E N 1.635 121.626 120.200 -0.349 0.000 2.269 2167 E HA -0.244 4.106 4.350 -0.000 0.000 0.223 2167 E C -0.851 175.584 176.600 -0.275 0.000 1.244 2167 E CA 0.177 56.429 56.400 -0.246 0.000 0.713 2167 E CB -0.334 29.377 29.700 0.018 0.000 1.178 2167 E HN 0.354 nan 8.360 nan 0.000 0.370 2168 R N -0.156 120.161 120.500 -0.304 0.000 2.357 2168 R HA 0.187 4.527 4.340 -0.000 0.000 0.296 2168 R C 0.391 176.554 176.300 -0.228 0.000 1.052 2168 R CA -0.078 55.935 56.100 -0.144 0.000 0.988 2168 R CB 0.463 30.738 30.300 -0.041 0.000 1.025 2168 R HN 0.203 nan 8.270 nan 0.000 0.469 2169 Y N -0.330 120.007 120.300 0.062 0.000 2.462 2169 Y HA 0.081 4.631 4.550 -0.000 0.000 0.253 2169 Y C 0.198 176.130 175.900 0.052 0.000 1.095 2169 Y CA -0.137 57.993 58.100 0.051 0.000 1.283 2169 Y CB 0.604 39.083 38.460 0.031 0.000 1.138 2169 Y HN 0.491 nan 8.280 nan 0.000 0.522 2170 D N 1.535 122.052 120.400 0.194 0.000 2.600 2170 D HA 0.101 4.741 4.640 -0.000 0.000 0.226 2170 D C 0.194 176.551 176.300 0.095 0.000 1.119 2170 D CA 0.363 54.446 54.000 0.138 0.000 1.051 2170 D CB -0.191 40.695 40.800 0.144 0.000 1.106 2170 D HN 0.227 nan 8.370 nan 0.000 0.491 2171 T N -2.973 111.608 114.554 0.045 0.000 2.838 2171 T HA 0.169 4.519 4.350 -0.000 0.000 0.292 2171 T C 0.931 175.629 174.700 -0.002 0.000 1.113 2171 T CA -0.868 61.209 62.100 -0.038 0.000 1.008 2171 T CB 0.782 69.616 68.868 -0.057 0.000 1.259 2171 T HN 0.074 nan 8.240 nan 0.000 0.520 2172 Y N 1.808 122.039 120.300 -0.115 0.000 2.102 2172 Y HA -0.188 4.362 4.550 -0.000 0.000 0.280 2172 Y C 2.655 178.535 175.900 -0.034 0.000 1.178 2172 Y CA 2.849 60.906 58.100 -0.072 0.000 1.146 2172 Y CB -0.547 37.862 38.460 -0.085 0.000 0.968 2172 Y HN 0.762 nan 8.280 nan 0.000 0.504 2173 S N -1.407 114.208 115.700 -0.142 0.000 2.470 2173 S HA 0.212 4.682 4.470 -0.000 0.000 0.222 2173 S C 1.937 176.484 174.600 -0.088 0.000 1.024 2173 S CA 0.581 58.664 58.200 -0.194 0.000 0.931 2173 S CB -0.393 62.789 63.200 -0.029 0.000 0.791 2173 S HN 1.023 nan 8.310 nan 0.000 0.513 2174 G N 2.007 110.799 108.800 -0.014 0.000 2.196 2174 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.268 2174 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.268 2174 G C 0.089 175.089 174.900 0.166 0.000 0.975 2174 G CA 0.584 45.731 45.100 0.078 0.000 0.648 2174 G HN 0.904 nan 8.290 nan 0.000 0.538 2175 R N -1.135 119.422 120.500 0.094 0.000 2.758 2175 R HA 0.832 5.172 4.340 -0.000 0.000 0.265 2175 R C -0.859 175.461 176.300 0.032 0.000 1.016 2175 R CA -1.050 55.128 56.100 0.130 0.000 1.040 2175 R CB 2.046 32.402 30.300 0.094 0.000 1.152 2175 R HN 0.171 nan 8.270 nan 0.000 0.503 2176 V N 1.693 121.640 119.914 0.056 0.000 2.531 2176 V HA 0.195 4.314 4.120 -0.000 0.000 0.301 2176 V C -0.060 176.096 176.094 0.104 0.000 1.034 2176 V CA -1.094 61.196 62.300 -0.016 0.000 0.865 2176 V CB 1.949 33.656 31.823 -0.194 0.000 0.995 2176 V HN 0.639 nan 8.190 nan 0.000 0.424 2177 V N 6.182 126.176 119.914 0.134 0.000 2.843 2177 V HA -0.018 4.102 4.120 -0.000 0.000 0.305 2177 V C 1.942 178.143 176.094 0.179 0.000 1.120 2177 V CA 0.992 63.393 62.300 0.168 0.000 1.254 2177 V CB 0.727 32.678 31.823 0.212 0.000 0.901 2177 V HN 0.995 nan 8.190 nan 0.000 0.503 2178 R N 3.706 124.284 120.500 0.130 0.000 2.159 2178 R HA -0.297 4.043 4.340 -0.000 0.000 0.249 2178 R C 1.980 178.324 176.300 0.074 0.000 1.136 2178 R CA 2.880 59.036 56.100 0.094 0.000 0.951 2178 R CB -0.720 29.623 30.300 0.072 0.000 0.876 2178 R HN 1.013 nan 8.270 nan 0.000 0.440 2179 H N -1.030 118.023 119.070 -0.029 0.000 2.426 2179 H HA -0.163 4.393 4.556 -0.000 0.000 0.298 2179 H C 1.170 176.301 175.328 -0.328 0.000 1.107 2179 H CA 2.382 58.312 56.048 -0.196 0.000 1.298 2179 H CB -0.178 29.417 29.762 -0.279 0.000 1.377 2179 H HN 0.320 nan 8.280 nan 0.000 0.519 2180 F N -0.268 119.665 119.950 -0.028 0.000 2.704 2180 F HA 0.242 4.769 4.527 0.000 0.000 0.304 2180 F C 0.913 176.681 175.800 -0.053 0.000 1.094 2180 F CA -0.304 57.651 58.000 -0.075 0.000 1.275 2180 F CB 0.347 39.357 39.000 0.016 0.000 1.073 2180 F HN -0.183 nan 8.300 nan 0.000 0.586 2181 K N 0.817 121.285 120.400 0.113 0.000 2.436 2181 K HA 0.203 4.523 4.320 -0.000 0.000 0.282 2181 K C 1.137 177.760 176.600 0.038 0.000 1.044 2181 K CA 0.919 57.279 56.287 0.123 0.000 1.028 2181 K CB 0.103 32.668 32.500 0.109 0.000 0.919 2181 K HN 0.387 nan 8.250 nan 0.000 0.474 2182 G N 2.022 110.865 108.800 0.071 0.000 2.148 2182 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 2182 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 2182 G C 0.852 175.686 174.900 -0.110 0.000 0.981 2182 G CA 0.833 45.927 45.100 -0.010 0.000 0.670 2182 G HN 0.699 nan 8.290 nan 0.000 0.528 2183 S N -0.824 114.815 115.700 -0.102 0.000 2.387 2183 S HA 0.086 4.556 4.470 -0.000 0.000 0.226 2183 S C 2.254 176.652 174.600 -0.337 0.000 1.026 2183 S CA 1.504 59.512 58.200 -0.320 0.000 0.972 2183 S CB -0.245 62.897 63.200 -0.098 0.000 0.814 2183 S HN 0.597 nan 8.310 nan 0.000 0.477 2184 M N 1.552 121.183 119.600 0.051 0.000 2.117 2184 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 2184 M C 2.384 178.709 176.300 0.042 0.000 1.065 2184 M CA 2.158 57.577 55.300 0.198 0.000 1.114 2184 M CB -0.265 32.508 32.600 0.288 0.000 1.361 2184 M HN 0.566 nan 8.290 nan 0.000 0.408 2185 E N -0.099 120.091 120.200 -0.017 0.000 2.110 2185 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 2185 E C 1.814 178.363 176.600 -0.086 0.000 0.988 2185 E CA 1.202 57.583 56.400 -0.033 0.000 0.804 2185 E CB -0.006 29.675 29.700 -0.031 0.000 0.745 2185 E HN 0.513 nan 8.360 nan 0.000 0.458 2186 E N -0.076 119.988 120.200 -0.226 0.000 2.051 2186 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 2186 E C 1.819 178.336 176.600 -0.138 0.000 0.991 2186 E CA 1.313 57.539 56.400 -0.291 0.000 0.799 2186 E CB -0.289 29.077 29.700 -0.557 0.000 0.748 2186 E HN 0.512 nan 8.360 nan 0.000 0.449 2187 W N 1.621 122.911 121.300 -0.016 0.000 2.358 2187 W HA -0.197 4.463 4.660 -0.000 0.000 0.303 2187 W C 2.540 179.019 176.519 -0.066 0.000 1.208 2187 W CA 0.543 57.857 57.345 -0.052 0.000 1.274 2187 W CB -0.211 29.184 29.460 -0.107 0.000 1.138 2187 W HN 0.152 nan 8.180 nan 0.000 0.515 2188 Q N 0.554 120.435 119.800 0.136 0.000 2.084 2188 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 2188 Q C 2.427 178.462 176.000 0.059 0.000 0.978 2188 Q CA 1.472 57.315 55.803 0.067 0.000 0.844 2188 Q CB -0.883 27.876 28.738 0.036 0.000 0.898 2188 Q HN 0.308 nan 8.270 nan 0.000 0.426 2189 A N 1.234 124.080 122.820 0.044 0.000 2.019 2189 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 2189 A C 1.961 179.575 177.584 0.050 0.000 1.164 2189 A CA 1.263 53.318 52.037 0.031 0.000 0.644 2189 A CB -0.427 18.575 19.000 0.004 0.000 0.805 2189 A HN 0.327 nan 8.150 nan 0.000 0.449 2190 M N -1.386 118.267 119.600 0.087 0.000 2.561 2190 M HA 0.189 4.669 4.480 -0.000 0.000 0.238 2190 M C 1.303 177.651 176.300 0.081 0.000 1.131 2190 M CA 0.731 56.092 55.300 0.102 0.000 1.046 2190 M CB 0.315 33.024 32.600 0.182 0.000 1.532 2190 M HN 0.604 nan 8.290 nan 0.000 0.497 2191 G N 0.522 109.363 108.800 0.068 0.000 2.159 2191 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.256 2191 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.256 2191 G C 0.104 175.021 174.900 0.029 0.000 0.977 2191 G CA -0.147 44.983 45.100 0.050 0.000 0.652 2191 G HN 0.311 nan 8.290 nan 0.000 0.531 2192 V N 1.630 121.559 119.914 0.024 0.000 2.673 2192 V HA 0.204 4.324 4.120 -0.000 0.000 0.303 2192 V C 1.826 177.872 176.094 -0.081 0.000 1.046 2192 V CA 1.224 63.497 62.300 -0.046 0.000 1.126 2192 V CB 1.230 33.007 31.823 -0.077 0.000 0.934 2192 V HN 0.396 nan 8.190 nan 0.000 0.487 2193 M N 3.083 122.620 119.600 -0.106 0.000 2.357 2193 M HA 0.127 4.607 4.480 -0.000 0.000 0.266 2193 M C 0.575 176.775 176.300 -0.166 0.000 1.095 2193 M CA 0.911 56.135 55.300 -0.128 0.000 1.156 2193 M CB 0.060 32.604 32.600 -0.094 0.000 1.365 2193 M HN 0.956 nan 8.290 nan 0.000 0.447 2194 N N -1.710 116.873 118.700 -0.195 0.000 3.046 2194 N HA 0.159 4.899 4.740 -0.000 0.000 0.243 2194 N C -1.998 173.367 175.510 -0.242 0.000 1.452 2194 N CA -0.662 52.276 53.050 -0.187 0.000 0.882 2194 N CB 1.097 39.531 38.487 -0.088 0.000 1.425 2194 N HN -0.125 nan 8.380 nan 0.000 0.517 2195 Y N -0.114 120.137 120.300 -0.081 0.000 2.360 2195 Y HA 0.510 5.060 4.550 -0.000 0.000 0.337 2195 Y C 0.341 176.187 175.900 -0.089 0.000 1.039 2195 Y CA -0.104 57.934 58.100 -0.103 0.000 1.109 2195 Y CB 1.492 39.872 38.460 -0.134 0.000 1.201 2195 Y HN 0.810 nan 8.280 nan 0.000 0.458 2196 E N -0.071 120.195 120.200 0.110 0.000 2.408 2196 E HA 0.492 4.842 4.350 -0.000 0.000 0.266 2196 E C -1.073 175.550 176.600 0.037 0.000 1.025 2196 E CA -0.701 55.732 56.400 0.056 0.000 0.881 2196 E CB 1.065 30.788 29.700 0.039 0.000 1.660 2196 E HN 0.439 nan 8.360 nan 0.000 0.458 2197 M N -0.556 119.062 119.600 0.031 0.000 2.300 2197 M HA 0.335 4.815 4.480 -0.000 0.000 0.313 2197 M C -0.057 176.251 176.300 0.015 0.000 0.988 2197 M CA 0.250 55.562 55.300 0.020 0.000 1.012 2197 M CB 0.657 33.274 32.600 0.028 0.000 1.586 2197 M HN 0.526 nan 8.290 nan 0.000 0.562 2198 E N -0.743 119.465 120.200 0.013 0.000 2.500 2198 E HA 0.067 4.417 4.350 -0.000 0.000 0.217 2198 E C 1.815 178.413 176.600 -0.003 0.000 0.848 2198 E CA 0.547 56.951 56.400 0.006 0.000 1.217 2198 E CB 0.406 30.112 29.700 0.010 0.000 1.217 2198 E HN 0.303 nan 8.360 nan 0.000 0.573 2199 S N 0.940 116.640 115.700 -0.001 0.000 2.368 2199 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 2199 S C 2.256 176.851 174.600 -0.008 0.000 1.030 2199 S CA 0.957 59.154 58.200 -0.006 0.000 0.999 2199 S CB -0.374 62.823 63.200 -0.004 0.000 0.844 2199 S HN 0.235 nan 8.310 nan 0.000 0.459 2200 A N 1.961 124.780 122.820 -0.001 0.000 1.892 2200 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 2200 A C 2.460 180.051 177.584 0.012 0.000 1.188 2200 A CA 2.329 54.373 52.037 0.012 0.000 0.631 2200 A CB -1.775 17.237 19.000 0.020 0.000 0.822 2200 A HN 0.571 nan 8.150 nan 0.000 0.447 2201 T N -0.107 114.447 114.554 -0.000 0.000 2.701 2201 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 2201 T C 1.883 176.522 174.700 -0.101 0.000 1.040 2201 T CA 1.505 63.594 62.100 -0.018 0.000 1.147 2201 T CB -0.448 68.415 68.868 -0.008 0.000 0.865 2201 T HN 0.344 nan 8.240 nan 0.000 0.426 2202 L N 1.122 122.286 121.223 -0.098 0.000 1.989 2202 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 2202 L C 2.208 178.994 176.870 -0.139 0.000 1.071 2202 L CA 1.729 56.478 54.840 -0.152 0.000 0.749 2202 L CB -0.740 41.263 42.059 -0.094 0.000 0.890 2202 L HN 0.252 nan 8.230 nan 0.000 0.431 2203 L N -1.330 119.859 121.223 -0.058 0.000 2.093 2203 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 2203 L C 2.332 179.208 176.870 0.009 0.000 1.085 2203 L CA 1.637 56.471 54.840 -0.011 0.000 0.755 2203 L CB -1.163 40.910 42.059 0.023 0.000 0.904 2203 L HN 0.318 nan 8.230 nan 0.000 0.435 2204 T N 0.564 115.120 114.554 0.003 0.000 2.737 2204 T HA -0.186 4.164 4.350 -0.000 0.000 0.265 2204 T C 1.877 176.494 174.700 -0.138 0.000 1.038 2204 T CA 1.800 63.917 62.100 0.029 0.000 1.144 2204 T CB -0.225 68.684 68.868 0.068 0.000 0.866 2204 T HN 0.436 nan 8.240 nan 0.000 0.434 2205 M N 0.382 119.782 119.600 -0.333 0.000 2.159 2205 M HA -0.026 4.453 4.480 -0.000 0.000 0.263 2205 M C 2.249 178.292 176.300 -0.429 0.000 1.063 2205 M CA 1.511 56.385 55.300 -0.710 0.000 1.110 2205 M CB -1.143 30.583 32.600 -1.456 0.000 1.374 2205 M HN 0.185 nan 8.290 nan 0.000 0.411 2206 C N 1.428 120.562 119.300 -0.276 0.000 2.489 2206 C HA 0.144 4.604 4.460 -0.000 0.000 0.279 2206 C C 3.317 178.292 174.990 -0.024 0.000 1.266 2206 C CA 0.995 59.929 59.018 -0.139 0.000 1.707 2206 C CB -1.245 26.445 27.740 -0.084 0.000 2.059 2206 C HN 0.766 nan 8.230 nan 0.000 0.481 2207 A N 1.233 124.078 122.820 0.042 0.000 1.986 2207 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 2207 A C 2.165 179.853 177.584 0.172 0.000 1.171 2207 A CA 2.435 54.570 52.037 0.164 0.000 0.640 2207 A CB -0.741 18.441 19.000 0.305 0.000 0.811 2207 A HN 0.746 nan 8.150 nan 0.000 0.451 2208 S N -1.840 113.853 115.700 -0.012 0.000 2.575 2208 S HA 0.140 4.610 4.470 -0.000 0.000 0.215 2208 S C 1.001 175.565 174.600 -0.061 0.000 0.966 2208 S CA 0.439 58.548 58.200 -0.152 0.000 0.911 2208 S CB 0.033 62.936 63.200 -0.495 0.000 0.780 2208 S HN 0.669 nan 8.310 nan 0.000 0.514 2209 Q N 0.164 119.947 119.800 -0.028 0.000 2.118 2209 Q HA 0.353 4.693 4.340 -0.000 0.000 0.219 2209 Q C 0.740 176.757 176.000 0.029 0.000 0.794 2209 Q CA 0.063 55.864 55.803 -0.003 0.000 1.035 2209 Q CB 1.062 29.782 28.738 -0.029 0.000 1.177 2209 Q HN 0.625 nan 8.270 nan 0.000 0.478 2210 G N 1.535 110.364 108.800 0.047 0.000 2.160 2210 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 2210 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 2210 G C -0.097 174.846 174.900 0.072 0.000 1.008 2210 G CA 0.118 45.255 45.100 0.061 0.000 0.724 2210 G HN 0.254 nan 8.290 nan 0.000 0.514 2211 L N -0.124 121.146 121.223 0.079 0.000 2.322 2211 L HA 0.581 4.921 4.340 -0.000 0.000 0.279 2211 L C 1.072 178.024 176.870 0.137 0.000 1.036 2211 L CA -1.055 53.866 54.840 0.135 0.000 0.807 2211 L CB 1.194 43.368 42.059 0.193 0.000 1.226 2211 L HN 0.066 nan 8.230 nan 0.000 0.433 2212 R N 2.127 122.715 120.500 0.147 0.000 2.340 2212 R HA 0.688 5.028 4.340 -0.000 0.000 0.300 2212 R C -0.554 175.849 176.300 0.170 0.000 1.069 2212 R CA -0.339 55.834 56.100 0.123 0.000 0.984 2212 R CB 1.236 31.582 30.300 0.077 0.000 1.003 2212 R HN 0.717 nan 8.270 nan 0.000 0.459 2213 A N 1.581 124.478 122.820 0.128 0.000 2.475 2213 A HA 0.810 5.130 4.320 -0.000 0.000 0.301 2213 A C -0.695 176.934 177.584 0.077 0.000 1.059 2213 A CA -0.624 51.490 52.037 0.128 0.000 0.710 2213 A CB 2.214 21.267 19.000 0.089 0.000 1.288 2213 A HN 0.759 nan 8.150 nan 0.000 0.408 2214 G N -0.345 108.496 108.800 0.068 0.000 2.642 2214 G HA2 0.705 4.665 3.960 -0.000 0.000 0.293 2214 G HA3 0.705 4.665 3.960 -0.000 0.000 0.293 2214 G C -1.254 173.666 174.900 0.034 0.000 1.341 2214 G CA -0.512 44.610 45.100 0.036 0.000 0.916 2214 G HN 1.301 nan 8.290 nan 0.000 0.474 2215 M N 1.343 120.955 119.600 0.020 0.000 2.271 2215 M HA 0.732 5.212 4.480 -0.000 0.000 0.285 2215 M C -1.913 174.393 176.300 0.011 0.000 1.059 2215 M CA -0.773 54.538 55.300 0.018 0.000 0.940 2215 M CB 2.002 34.611 32.600 0.015 0.000 1.636 2215 M HN 0.853 nan 8.290 nan 0.000 0.460 2216 V N 3.867 123.789 119.914 0.013 0.000 2.971 2216 V HA 1.052 5.172 4.120 -0.000 0.000 0.309 2216 V C -1.820 174.283 176.094 0.017 0.000 1.130 2216 V CA 0.216 62.523 62.300 0.011 0.000 0.964 2216 V CB 2.109 33.935 31.823 0.004 0.000 1.029 2216 V HN 1.313 nan 8.190 nan 0.000 0.427 2217 A N 3.459 126.291 122.820 0.020 0.000 2.574 2217 A HA 0.888 5.208 4.320 -0.000 0.000 0.297 2217 A C -0.264 177.339 177.584 0.031 0.000 1.062 2217 A CA -0.118 51.933 52.037 0.024 0.000 0.686 2217 A CB 1.762 20.775 19.000 0.023 0.000 1.285 2217 A HN 1.691 nan 8.150 nan 0.000 0.403 2218 G N 0.093 108.913 108.800 0.034 0.000 2.372 2218 G HA2 0.522 4.482 3.960 -0.000 0.000 0.283 2218 G HA3 0.522 4.482 3.960 -0.000 0.000 0.283 2218 G C -0.463 174.458 174.900 0.035 0.000 1.177 2218 G CA -0.308 44.816 45.100 0.041 0.000 0.842 2218 G HN 0.930 nan 8.290 nan 0.000 0.503 2219 V N 3.373 123.309 119.914 0.037 0.000 2.455 2219 V HA 0.141 4.261 4.120 -0.000 0.000 0.273 2219 V C 1.197 177.306 176.094 0.025 0.000 1.045 2219 V CA -0.028 62.289 62.300 0.028 0.000 0.976 2219 V CB 0.892 32.729 31.823 0.023 0.000 0.993 2219 V HN 0.771 nan 8.190 nan 0.000 0.475 2220 I N 3.357 123.943 120.570 0.027 0.000 4.139 2220 I HA 0.541 4.711 4.170 -0.000 0.000 0.335 2220 I C 0.176 176.311 176.117 0.030 0.000 1.327 2220 I CA 0.265 61.582 61.300 0.028 0.000 1.112 2220 I CB 1.009 39.029 38.000 0.034 0.000 1.058 2220 I HN 0.401 nan 8.210 nan 0.000 0.396 2221 V N 1.158 121.088 119.914 0.026 0.000 3.077 2221 V HA 0.424 4.544 4.120 -0.000 0.000 0.299 2221 V C -1.770 174.330 176.094 0.010 0.000 1.276 2221 V CA -0.612 61.702 62.300 0.023 0.000 0.993 2221 V CB 2.364 34.207 31.823 0.034 0.000 1.076 2221 V HN 0.342 nan 8.190 nan 0.000 0.434 2222 N N 4.640 123.343 118.700 0.006 0.000 2.424 2222 N HA 0.384 5.124 4.740 -0.000 0.000 0.271 2222 N C 0.538 176.053 175.510 0.008 0.000 0.985 2222 N CA -0.551 52.496 53.050 -0.005 0.000 0.921 2222 N CB 1.661 40.139 38.487 -0.015 0.000 1.149 2222 N HN 0.597 nan 8.380 nan 0.000 0.492 2223 R N 1.026 121.534 120.500 0.013 0.000 2.276 2223 R HA -0.022 4.318 4.340 -0.000 0.000 0.203 2223 R C 1.351 177.674 176.300 0.039 0.000 1.017 2223 R CA 0.686 56.807 56.100 0.036 0.000 1.010 2223 R CB -0.585 29.758 30.300 0.073 0.000 0.900 2223 R HN 0.680 nan 8.270 nan 0.000 0.469 2224 T N -3.034 111.533 114.554 0.021 0.000 3.160 2224 T HA 0.027 4.377 4.350 -0.000 0.000 0.257 2224 T C 1.490 176.203 174.700 0.023 0.000 1.147 2224 T CA 0.629 62.742 62.100 0.023 0.000 1.064 2224 T CB 0.251 69.126 68.868 0.012 0.000 0.949 2224 T HN 0.201 nan 8.240 nan 0.000 0.526 2225 Q N -0.505 119.309 119.800 0.023 0.000 2.422 2225 Q HA 0.386 4.726 4.340 -0.000 0.000 0.255 2225 Q C 0.377 176.395 176.000 0.030 0.000 0.864 2225 Q CA 0.077 55.894 55.803 0.023 0.000 0.968 2225 Q CB 0.930 29.679 28.738 0.019 0.000 1.130 2225 Q HN 0.487 nan 8.270 nan 0.000 0.556 2226 Q N -1.113 118.708 119.800 0.035 0.000 2.527 2226 Q HA 0.176 4.516 4.340 -0.000 0.000 0.280 2226 Q C -0.721 175.306 176.000 0.045 0.000 0.977 2226 Q CA -0.146 55.682 55.803 0.042 0.000 0.837 2226 Q CB 1.913 30.674 28.738 0.038 0.000 1.454 2226 Q HN 0.012 nan 8.270 nan 0.000 0.387 2227 E N 0.590 120.824 120.200 0.056 0.000 2.201 2227 E HA 0.126 4.476 4.350 -0.000 0.000 0.193 2227 E C 0.063 176.698 176.600 0.059 0.000 0.957 2227 E CA 0.468 56.896 56.400 0.047 0.000 0.858 2227 E CB 0.704 30.452 29.700 0.080 0.000 0.816 2227 E HN 0.309 nan 8.360 nan 0.000 0.475 2228 I N 2.535 123.161 120.570 0.093 0.000 2.354 2228 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 2228 I C -2.341 173.831 176.117 0.092 0.000 0.989 2228 I CA -3.195 58.181 61.300 0.127 0.000 1.188 2228 I CB 0.750 38.833 38.000 0.139 0.000 1.342 2228 I HN -0.209 nan 8.210 nan 0.000 0.457 2229 P HA 0.098 nan 4.420 nan 0.000 0.267 2229 P C 0.006 177.336 177.300 0.050 0.000 1.200 2229 P CA -0.115 63.025 63.100 0.067 0.000 0.772 2229 P CB 0.555 32.300 31.700 0.075 0.000 0.855 2240 H N 2.082 121.144 119.070 -0.012 0.000 2.357 2240 H HA 0.353 4.909 4.556 -0.000 0.000 0.301 2240 H C 2.268 177.588 175.328 -0.014 0.000 1.082 2240 H CA 1.809 57.849 56.048 -0.013 0.000 1.342 2240 H CB -0.559 29.197 29.762 -0.010 0.000 1.389 2240 H HN 0.492 nan 8.280 nan 0.000 0.511 2241 A N 0.118 123.010 122.820 0.121 0.000 1.902 2241 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 2241 A C 2.772 180.373 177.584 0.029 0.000 1.181 2241 A CA 1.654 53.722 52.037 0.051 0.000 0.623 2241 A CB -0.846 18.180 19.000 0.043 0.000 0.818 2241 A HN 0.240 nan 8.150 nan 0.000 0.443 2242 V N -0.090 119.842 119.914 0.030 0.000 2.295 2242 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 2242 V C 2.480 178.578 176.094 0.008 0.000 1.049 2242 V CA 2.461 64.767 62.300 0.011 0.000 1.024 2242 V CB -0.708 31.115 31.823 -0.000 0.000 0.648 2242 V HN 0.545 nan 8.190 nan 0.000 0.447 2243 K N -0.247 120.166 120.400 0.022 0.000 2.074 2243 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 2243 K C 1.930 178.525 176.600 -0.009 0.000 1.048 2243 K CA 1.748 58.042 56.287 0.012 0.000 0.926 2243 K CB -0.339 32.183 32.500 0.036 0.000 0.713 2243 K HN 0.419 nan 8.250 nan 0.000 0.444 2244 I N -0.517 120.044 120.570 -0.015 0.000 2.202 2244 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 2244 I C 2.167 178.270 176.117 -0.023 0.000 1.091 2244 I CA 0.766 62.047 61.300 -0.032 0.000 1.368 2244 I CB -0.193 37.782 38.000 -0.041 0.000 1.058 2244 I HN 0.010 nan 8.210 nan 0.000 0.410 2245 V N 0.445 120.351 119.914 -0.012 0.000 2.407 2245 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 2245 V C 2.378 178.464 176.094 -0.013 0.000 1.055 2245 V CA 1.755 64.050 62.300 -0.010 0.000 1.049 2245 V CB 0.085 31.909 31.823 0.000 0.000 0.662 2245 V HN 0.217 nan 8.190 nan 0.000 0.455 2246 V N -0.002 119.905 119.914 -0.012 0.000 2.358 2246 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 2246 V C 2.516 178.600 176.094 -0.017 0.000 1.047 2246 V CA 2.215 64.507 62.300 -0.013 0.000 1.035 2246 V CB -0.642 31.173 31.823 -0.012 0.000 0.658 2246 V HN 0.677 nan 8.190 nan 0.000 0.452 2247 E N 0.924 121.112 120.200 -0.021 0.000 2.106 2247 E HA -0.148 4.201 4.350 -0.000 0.000 0.192 2247 E C 2.083 178.666 176.600 -0.029 0.000 0.984 2247 E CA 1.618 58.003 56.400 -0.025 0.000 0.806 2247 E CB -0.439 29.243 29.700 -0.030 0.000 0.750 2247 E HN 0.500 nan 8.360 nan 0.000 0.458 2248 A N 0.856 123.658 122.820 -0.031 0.000 1.898 2248 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 2248 A C 2.467 180.032 177.584 -0.031 0.000 1.181 2248 A CA 1.961 53.977 52.037 -0.035 0.000 0.620 2248 A CB -1.053 17.925 19.000 -0.036 0.000 0.819 2248 A HN 0.386 nan 8.150 nan 0.000 0.442 2249 A N -0.250 122.554 122.820 -0.025 0.000 1.908 2249 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 2249 A C 2.209 179.777 177.584 -0.026 0.000 1.181 2249 A CA 1.969 53.990 52.037 -0.026 0.000 0.627 2249 A CB -0.523 18.464 19.000 -0.022 0.000 0.818 2249 A HN 0.535 nan 8.150 nan 0.000 0.445 2250 R N -0.647 119.840 120.500 -0.023 0.000 2.103 2250 R HA -0.149 4.191 4.340 -0.000 0.000 0.242 2250 R C 2.281 178.567 176.300 -0.023 0.000 1.142 2250 R CA 1.991 58.079 56.100 -0.021 0.000 0.960 2250 R CB -0.194 30.095 30.300 -0.019 0.000 0.858 2250 R HN 0.523 nan 8.270 nan 0.000 0.439 2251 R N -0.482 120.002 120.500 -0.027 0.000 2.236 2251 R HA 0.035 4.375 4.340 -0.000 0.000 0.208 2251 R C 1.529 177.812 176.300 -0.029 0.000 1.036 2251 R CA 0.641 56.723 56.100 -0.029 0.000 1.001 2251 R CB 0.151 30.428 30.300 -0.037 0.000 0.896 2251 R HN 0.239 nan 8.270 nan 0.000 0.464 2252 L N 0.270 121.475 121.223 -0.030 0.000 2.607 2252 L HA 0.183 4.523 4.340 -0.000 0.000 0.228 2252 L C 0.504 177.359 176.870 -0.026 0.000 1.123 2252 L CA -0.189 54.634 54.840 -0.029 0.000 0.890 2252 L CB 0.127 42.167 42.059 -0.032 0.000 1.103 2252 L HN 0.083 nan 8.230 nan 0.000 0.468 2253 L N 0.000 121.208 121.223 -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