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_b 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 0.000 174.594 174.600 -0.011 0.000 1.055 2004 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 2004 S CB 0.000 63.163 63.200 -0.061 0.000 0.593 2005 D N 1.345 121.745 120.400 0.000 0.000 2.346 2005 D HA 0.170 4.810 4.640 0.000 0.000 0.206 2005 D C 0.910 177.227 176.300 0.030 0.000 1.001 2005 D CA 1.238 55.247 54.000 0.015 0.000 0.871 2005 D CB 0.668 41.478 40.800 0.016 0.000 0.943 2005 D HN 0.591 nan 8.370 nan 0.000 0.518 2006 V N -2.183 117.744 119.914 0.022 0.000 2.864 2006 V HA 0.392 4.512 4.120 0.000 0.000 0.314 2006 V C 0.792 176.911 176.094 0.041 0.000 1.073 2006 V CA -1.033 61.298 62.300 0.051 0.000 0.956 2006 V CB 1.774 33.622 31.823 0.041 0.000 1.023 2006 V HN -0.109 nan 8.190 nan 0.000 0.435 2007 F N 0.870 120.783 119.950 -0.061 0.000 2.259 2007 F HA 0.049 4.576 4.527 0.000 0.000 0.298 2007 F C 1.842 177.452 175.800 -0.316 0.000 1.088 2007 F CA 2.158 60.049 58.000 -0.182 0.000 1.358 2007 F CB 0.205 39.080 39.000 -0.209 0.000 1.040 2007 F HN 0.831 nan 8.300 nan 0.000 0.505 2008 H N -1.313 117.665 119.070 -0.154 0.000 2.501 2008 H HA 0.231 4.787 4.556 0.000 0.000 0.281 2008 H C 1.903 177.136 175.328 -0.158 0.000 0.988 2008 H CA 0.845 56.775 56.048 -0.197 0.000 1.232 2008 H CB -0.068 29.628 29.762 -0.111 0.000 1.455 2008 H HN 0.095 nan 8.280 nan 0.000 0.501 2009 L N -0.133 121.063 121.223 -0.044 0.000 2.395 2009 L HA 0.148 4.488 4.340 0.000 0.000 0.218 2009 L C 1.059 178.003 176.870 0.123 0.000 1.130 2009 L CA 0.602 55.455 54.840 0.022 0.000 0.826 2009 L CB -0.283 41.751 42.059 -0.043 0.000 0.941 2009 L HN 0.500 nan 8.230 nan 0.000 0.451 2010 G N 1.440 110.224 108.800 -0.028 0.000 2.295 2010 G HA2 -0.270 3.690 3.960 0.000 0.000 0.287 2010 G HA3 -0.270 3.690 3.960 0.000 0.000 0.287 2010 G C -0.175 174.763 174.900 0.062 0.000 1.055 2010 G CA 0.174 45.262 45.100 -0.020 0.000 0.922 2010 G HN 0.263 nan 8.290 nan 0.000 0.503 2011 L N -0.345 120.895 121.223 0.028 0.000 2.323 2011 L HA 0.866 5.207 4.340 0.000 0.000 0.265 2011 L C 0.686 177.563 176.870 0.011 0.000 1.012 2011 L CA -0.637 54.219 54.840 0.025 0.000 0.820 2011 L CB 2.435 44.512 42.059 0.030 0.000 1.334 2011 L HN 0.352 nan 8.230 nan 0.000 0.427 2012 T N -3.627 110.932 114.554 0.008 0.000 2.932 2012 T HA 0.327 4.677 4.350 0.000 0.000 0.289 2012 T C 0.697 175.400 174.700 0.006 0.000 1.039 2012 T CA -0.893 61.211 62.100 0.006 0.000 1.024 2012 T CB 2.172 71.041 68.868 0.002 0.000 1.090 2012 T HN 0.481 nan 8.240 nan 0.000 0.496 2013 K N 0.719 121.123 120.400 0.007 0.000 2.107 2013 K HA -0.229 4.091 4.320 0.000 0.000 0.211 2013 K C 1.910 178.511 176.600 0.001 0.000 1.049 2013 K CA 1.620 57.910 56.287 0.006 0.000 0.927 2013 K CB -0.391 32.113 32.500 0.007 0.000 0.714 2013 K HN 0.696 nan 8.250 nan 0.000 0.452 2014 N N 0.922 119.621 118.700 -0.000 0.000 2.244 2014 N HA -0.146 4.594 4.740 0.000 0.000 0.183 2014 N C 1.069 176.576 175.510 -0.006 0.000 1.016 2014 N CA 0.979 54.027 53.050 -0.003 0.000 0.866 2014 N CB 0.042 38.527 38.487 -0.004 0.000 0.980 2014 N HN 0.181 nan 8.380 nan 0.000 0.430 2015 D N 0.695 121.092 120.400 -0.006 0.000 2.178 2015 D HA -0.119 4.521 4.640 0.000 0.000 0.201 2015 D C 1.812 178.107 176.300 -0.008 0.000 0.980 2015 D CA 0.567 54.560 54.000 -0.011 0.000 0.842 2015 D CB 0.048 40.843 40.800 -0.008 0.000 0.948 2015 D HN 0.249 nan 8.370 nan 0.000 0.472 2016 L N 0.146 121.367 121.223 -0.004 0.000 2.313 2016 L HA 0.011 4.351 4.340 0.000 0.000 0.214 2016 L C 0.858 177.724 176.870 -0.007 0.000 1.119 2016 L CA 0.659 55.496 54.840 -0.005 0.000 0.809 2016 L CB -0.305 41.751 42.059 -0.006 0.000 0.933 2016 L HN -0.005 nan 8.230 nan 0.000 0.449 2017 Q N -0.382 119.414 119.800 -0.007 0.000 2.453 2017 Q HA -0.279 4.061 4.340 0.000 0.000 0.294 2017 Q C 1.056 177.051 176.000 -0.008 0.000 1.295 2017 Q CA 0.361 56.160 55.803 -0.007 0.000 0.853 2017 Q CB -1.544 27.190 28.738 -0.007 0.000 1.193 2017 Q HN 0.652 nan 8.270 nan 0.000 0.461 2018 G N -2.322 106.472 108.800 -0.010 0.000 2.176 2018 G HA2 -0.284 3.676 3.960 0.000 0.000 0.253 2018 G HA3 -0.284 3.676 3.960 0.000 0.000 0.253 2018 G C 0.268 175.157 174.900 -0.019 0.000 0.979 2018 G CA 0.112 45.205 45.100 -0.012 0.000 0.641 2018 G HN 1.202 nan 8.290 nan 0.000 0.530 2019 A N 0.352 123.158 122.820 -0.022 0.000 2.565 2019 A HA 0.559 4.879 4.320 0.000 0.000 0.237 2019 A C 1.465 179.016 177.584 -0.055 0.000 1.053 2019 A CA 1.983 53.999 52.037 -0.036 0.000 0.755 2019 A CB 0.178 19.158 19.000 -0.033 0.000 0.980 2019 A HN 1.727 nan 8.150 nan 0.000 0.506 2020 T N 0.023 114.533 114.554 -0.073 0.000 3.087 2020 T HA 0.401 4.752 4.350 0.000 0.000 0.283 2020 T C 0.013 174.614 174.700 -0.165 0.000 0.956 2020 T CA 0.035 62.075 62.100 -0.100 0.000 0.894 2020 T CB -0.522 68.307 68.868 -0.064 0.000 1.160 2020 T HN 0.568 nan 8.240 nan 0.000 0.532 2021 L N 1.756 122.885 121.223 -0.158 0.000 2.365 2021 L HA 0.891 5.231 4.340 0.000 0.000 0.273 2021 L C -1.301 175.446 176.870 -0.206 0.000 1.000 2021 L CA -0.939 53.783 54.840 -0.198 0.000 0.819 2021 L CB 1.830 43.819 42.059 -0.116 0.000 1.284 2021 L HN 0.230 nan 8.230 nan 0.000 0.418 2022 A N 5.605 128.251 122.820 -0.290 0.000 2.356 2022 A HA 0.692 5.012 4.320 0.000 0.000 0.310 2022 A C -0.993 176.553 177.584 -0.063 0.000 1.075 2022 A CA -0.530 51.405 52.037 -0.169 0.000 0.746 2022 A CB 1.059 19.943 19.000 -0.192 0.000 1.221 2022 A HN 0.669 nan 8.150 nan 0.000 0.443 2023 I N 2.482 123.049 120.570 -0.005 0.000 2.342 2023 I HA 0.341 4.511 4.170 0.000 0.000 0.291 2023 I C -0.090 176.067 176.117 0.067 0.000 1.010 2023 I CA -0.450 60.868 61.300 0.029 0.000 1.308 2023 I CB 1.701 39.709 38.000 0.014 0.000 1.400 2023 I HN 0.451 nan 8.210 nan 0.000 0.488 2024 V N 5.972 125.944 119.914 0.096 0.000 2.250 2024 V HA 0.498 4.618 4.120 0.000 0.000 0.268 2024 V C -2.459 173.685 176.094 0.083 0.000 1.043 2024 V CA -1.905 60.467 62.300 0.118 0.000 0.814 2024 V CB 0.243 32.175 31.823 0.181 0.000 1.072 2024 V HN 0.461 nan 8.190 nan 0.000 0.451 2025 P HA 0.291 nan 4.420 nan 0.000 0.274 2025 P C 0.939 178.266 177.300 0.046 0.000 1.256 2025 P CA 0.298 63.422 63.100 0.040 0.000 0.795 2025 P CB 1.704 33.415 31.700 0.019 0.000 1.038 2026 G N -0.470 108.346 108.800 0.028 0.000 2.459 2026 G HA2 -0.055 3.905 3.960 0.000 0.000 0.213 2026 G HA3 -0.055 3.905 3.960 0.000 0.000 0.213 2026 G C 0.237 175.140 174.900 0.005 0.000 1.155 2026 G CA 0.404 45.517 45.100 0.021 0.000 0.811 2026 G HN 0.510 nan 8.290 nan 0.000 0.534 2027 D N 0.317 120.714 120.400 -0.004 0.000 2.280 2027 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2027 D C -1.248 175.046 176.300 -0.011 0.000 1.129 2027 D CA -2.513 51.475 54.000 -0.019 0.000 0.848 2027 D CB 2.137 42.921 40.800 -0.027 0.000 1.107 2027 D HN -0.067 nan 8.370 nan 0.000 0.471 2028 P HA -0.131 nan 4.420 nan 0.000 0.216 2028 P C 0.540 177.841 177.300 0.002 0.000 1.153 2028 P CA 1.036 64.143 63.100 0.012 0.000 0.858 2028 P CB 0.311 32.013 31.700 0.003 0.000 0.789 2029 D N -0.798 119.591 120.400 -0.018 0.000 2.350 2029 D HA -0.125 4.515 4.640 0.000 0.000 0.216 2029 D C 1.892 178.154 176.300 -0.064 0.000 0.968 2029 D CA 0.693 54.674 54.000 -0.032 0.000 0.894 2029 D CB -0.183 40.599 40.800 -0.030 0.000 0.909 2029 D HN 0.366 nan 8.370 nan 0.000 0.520 2030 R N 0.384 120.847 120.500 -0.062 0.000 2.334 2030 R HA 0.087 4.427 4.340 0.000 0.000 0.216 2030 R C 1.552 177.779 176.300 -0.122 0.000 0.905 2030 R CA 0.151 56.201 56.100 -0.083 0.000 1.064 2030 R CB -0.045 30.222 30.300 -0.055 0.000 1.046 2030 R HN -0.155 nan 8.270 nan 0.000 0.508 2031 V N 1.798 121.639 119.914 -0.122 0.000 2.233 2031 V HA -0.285 3.835 4.120 0.000 0.000 0.247 2031 V C 2.401 178.221 176.094 -0.456 0.000 1.050 2031 V CA 2.388 64.586 62.300 -0.170 0.000 1.010 2031 V CB -0.629 31.173 31.823 -0.035 0.000 0.637 2031 V HN 0.592 nan 8.190 nan 0.000 0.444 2032 E N 0.269 120.031 120.200 -0.729 0.000 2.097 2032 E HA -0.329 4.021 4.350 0.000 0.000 0.196 2032 E C 2.158 178.344 176.600 -0.689 0.000 1.000 2032 E CA 1.881 57.535 56.400 -1.243 0.000 0.804 2032 E CB -0.144 28.977 29.700 -0.965 0.000 0.740 2032 E HN 0.508 nan 8.360 nan 0.000 0.454 2033 K N 0.244 120.413 120.400 -0.385 0.000 2.063 2033 K HA -0.105 4.216 4.320 0.000 0.000 0.208 2033 K C 2.040 178.522 176.600 -0.197 0.000 1.048 2033 K CA 1.702 57.847 56.287 -0.237 0.000 0.928 2033 K CB -0.133 32.275 32.500 -0.154 0.000 0.713 2033 K HN 0.230 nan 8.250 nan 0.000 0.442 2034 I N 0.041 120.499 120.570 -0.187 0.000 2.193 2034 I HA -0.253 3.917 4.170 0.000 0.000 0.240 2034 I C 2.283 178.324 176.117 -0.125 0.000 1.084 2034 I CA 1.082 62.309 61.300 -0.121 0.000 1.365 2034 I CB -0.392 37.558 38.000 -0.084 0.000 1.064 2034 I HN 0.164 nan 8.210 nan 0.000 0.410 2035 A N 0.956 123.666 122.820 -0.184 0.000 1.927 2035 A HA -0.298 4.022 4.320 0.000 0.000 0.220 2035 A C 2.453 179.981 177.584 -0.093 0.000 1.185 2035 A CA 2.245 54.212 52.037 -0.117 0.000 0.639 2035 A CB -1.023 17.887 19.000 -0.149 0.000 0.820 2035 A HN 0.476 nan 8.150 nan 0.000 0.451 2036 A N -0.867 121.849 122.820 -0.174 0.000 2.178 2036 A HA 0.102 4.422 4.320 0.000 0.000 0.218 2036 A C 1.881 179.432 177.584 -0.054 0.000 1.157 2036 A CA 1.215 53.188 52.037 -0.106 0.000 0.689 2036 A CB -0.518 18.395 19.000 -0.145 0.000 0.787 2036 A HN 0.507 nan 8.150 nan 0.000 0.465 2037 L N -1.422 119.769 121.223 -0.054 0.000 2.554 2037 L HA 0.136 4.476 4.340 0.000 0.000 0.226 2037 L C 1.096 177.957 176.870 -0.015 0.000 1.137 2037 L CA -0.008 54.813 54.840 -0.031 0.000 0.863 2037 L CB -0.284 41.756 42.059 -0.032 0.000 0.985 2037 L HN 0.428 nan 8.230 nan 0.000 0.451 2038 M N -1.634 117.961 119.600 -0.007 0.000 2.840 2038 M HA 0.313 4.793 4.480 0.000 0.000 0.283 2038 M C -0.678 175.635 176.300 0.021 0.000 1.136 2038 M CA -0.780 54.524 55.300 0.008 0.000 0.857 2038 M CB 1.086 33.694 32.600 0.013 0.000 1.644 2038 M HN -0.179 nan 8.290 nan 0.000 0.520 2039 D N 1.157 121.572 120.400 0.026 0.000 2.193 2039 D HA 0.206 4.846 4.640 0.000 0.000 0.249 2039 D C -0.549 175.779 176.300 0.047 0.000 1.034 2039 D CA -0.147 53.871 54.000 0.030 0.000 0.902 2039 D CB 0.950 41.762 40.800 0.021 0.000 1.182 2039 D HN 0.441 nan 8.370 nan 0.000 0.436 2040 K N -0.274 120.156 120.400 0.051 0.000 3.278 2040 K HA -0.132 4.188 4.320 0.000 0.000 0.270 2040 K C -2.319 174.339 176.600 0.097 0.000 0.955 2040 K CA 0.100 56.423 56.287 0.060 0.000 0.723 2040 K CB -1.548 30.975 32.500 0.038 0.000 1.382 2040 K HN 0.382 nan 8.250 nan 0.000 0.461 2041 P HA 0.162 nan 4.420 nan 0.000 0.271 2041 P C -0.246 177.238 177.300 0.306 0.000 1.216 2041 P CA -0.085 63.194 63.100 0.298 0.000 0.771 2041 P CB 1.212 33.109 31.700 0.328 0.000 0.864 2042 V N 3.712 123.753 119.914 0.213 0.000 2.668 2042 V HA 0.237 4.357 4.120 0.000 0.000 0.304 2042 V C 0.283 175.944 176.094 -0.722 0.000 1.071 2042 V CA -0.884 61.289 62.300 -0.213 0.000 0.894 2042 V CB 2.247 33.999 31.823 -0.119 0.000 1.008 2042 V HN 0.505 nan 8.190 nan 0.000 0.425 2043 K N 3.620 123.120 120.400 -1.501 0.000 2.368 2043 K HA 0.389 4.709 4.320 0.000 0.000 0.282 2043 K C 0.218 176.419 176.600 -0.664 0.000 1.035 2043 K CA -0.161 55.143 56.287 -1.639 0.000 0.973 2043 K CB 0.787 32.440 32.500 -1.412 0.000 0.957 2043 K HN 0.648 nan 8.250 nan 0.000 0.474 2044 L N 2.541 123.507 121.223 -0.429 0.000 2.362 2044 L HA 0.307 4.647 4.340 0.000 0.000 0.204 2044 L C 0.384 177.171 176.870 -0.138 0.000 1.060 2044 L CA 0.087 54.806 54.840 -0.201 0.000 0.827 2044 L CB 0.528 42.531 42.059 -0.093 0.000 1.027 2044 L HN 0.754 nan 8.230 nan 0.000 0.474 2045 A N -1.124 121.623 122.820 -0.121 0.000 2.597 2045 A HA 0.601 4.921 4.320 0.000 0.000 0.292 2045 A C -1.203 176.322 177.584 -0.097 0.000 1.057 2045 A CA -0.287 51.696 52.037 -0.090 0.000 0.674 2045 A CB 1.589 20.618 19.000 0.048 0.000 1.278 2045 A HN -0.166 nan 8.150 nan 0.000 0.416 2046 S N 0.786 116.313 115.700 -0.288 0.000 2.706 2046 S HA 0.646 5.116 4.470 0.000 0.000 0.270 2046 S C -1.764 172.550 174.600 -0.476 0.000 1.163 2046 S CA -0.464 57.608 58.200 -0.213 0.000 1.042 2046 S CB 0.342 63.469 63.200 -0.122 0.000 1.079 2046 S HN 0.763 nan 8.310 nan 0.000 0.474 2047 H N 3.253 122.391 119.070 0.113 0.000 2.856 2047 H HA 0.527 5.083 4.556 0.000 0.000 0.355 2047 H C 0.556 175.958 175.328 0.124 0.000 1.079 2047 H CA -0.437 55.675 56.048 0.107 0.000 1.240 2047 H CB 1.629 31.461 29.762 0.116 0.000 1.701 2047 H HN 0.770 nan 8.280 nan 0.000 0.527 2048 R N 0.451 121.042 120.500 0.150 0.000 3.750 2048 R HA -0.237 4.103 4.340 0.000 0.000 0.495 2048 R C 1.119 177.332 176.300 -0.144 0.000 0.241 2048 R CA 1.969 58.068 56.100 -0.000 0.000 1.551 2048 R CB -0.691 29.614 30.300 0.008 0.000 0.956 2048 R HN 0.766 nan 8.270 nan 0.000 0.584 2049 E N 1.668 121.600 120.200 -0.447 0.000 2.476 2049 E HA 0.006 4.356 4.350 0.000 0.000 0.191 2049 E C -0.318 176.053 176.600 -0.382 0.000 1.064 2049 E CA 0.632 56.769 56.400 -0.438 0.000 0.866 2049 E CB 0.132 29.526 29.700 -0.509 0.000 0.952 2049 E HN 0.284 nan 8.360 nan 0.000 0.492 2050 F N 1.500 121.495 119.950 0.075 0.000 2.308 2050 F HA 0.329 4.856 4.527 0.000 0.000 0.370 2050 F C 0.196 176.050 175.800 0.089 0.000 1.100 2050 F CA -0.640 57.412 58.000 0.087 0.000 1.108 2050 F CB 1.700 40.767 39.000 0.111 0.000 1.293 2050 F HN -0.334 nan 8.300 nan 0.000 0.478 2051 T N 2.138 116.837 114.554 0.242 0.000 2.779 2051 T HA 0.514 4.864 4.350 0.000 0.000 0.280 2051 T C -0.186 174.666 174.700 0.252 0.000 0.987 2051 T CA -0.499 61.726 62.100 0.208 0.000 0.966 2051 T CB 1.146 70.122 68.868 0.180 0.000 0.933 2051 T HN 0.411 nan 8.240 nan 0.000 0.442 2052 T N 3.588 118.281 114.554 0.231 0.000 2.809 2052 T HA 0.476 4.827 4.350 0.000 0.000 0.284 2052 T C -1.077 173.768 174.700 0.241 0.000 0.992 2052 T CA -0.603 61.630 62.100 0.222 0.000 0.957 2052 T CB 0.640 69.586 68.868 0.131 0.000 0.942 2052 T HN 0.435 nan 8.240 nan 0.000 0.439 2053 W N 1.890 123.203 121.300 0.022 0.000 2.706 2053 W HA 0.669 5.329 4.660 0.000 0.000 0.346 2053 W C 0.293 176.816 176.519 0.006 0.000 1.071 2053 W CA -1.127 56.224 57.345 0.011 0.000 1.206 2053 W CB 1.192 30.656 29.460 0.007 0.000 1.413 2053 W HN 0.367 nan 8.180 nan 0.000 0.542 2054 R N 1.592 122.208 120.500 0.194 0.000 2.562 2054 R HA 0.841 5.181 4.340 0.000 0.000 0.298 2054 R C -0.683 175.707 176.300 0.150 0.000 0.961 2054 R CA -0.353 55.820 56.100 0.121 0.000 0.881 2054 R CB 1.352 31.677 30.300 0.042 0.000 1.159 2054 R HN 0.640 nan 8.270 nan 0.000 0.450 2055 A N 2.743 125.629 122.820 0.111 0.000 2.504 2055 A HA 0.518 4.838 4.320 0.000 0.000 0.285 2055 A C -1.441 176.171 177.584 0.048 0.000 1.261 2055 A CA -0.681 51.411 52.037 0.091 0.000 0.741 2055 A CB 1.707 20.764 19.000 0.095 0.000 1.327 2055 A HN 0.724 nan 8.150 nan 0.000 0.441 2056 E N -0.611 119.612 120.200 0.038 0.000 2.222 2056 E HA 0.576 4.926 4.350 0.000 0.000 0.267 2056 E C -2.216 174.392 176.600 0.014 0.000 0.884 2056 E CA -0.581 55.832 56.400 0.021 0.000 0.764 2056 E CB 1.870 31.581 29.700 0.019 0.000 1.169 2056 E HN 0.437 nan 8.360 nan 0.000 0.413 2057 L N 4.332 125.558 121.223 0.006 0.000 2.441 2057 L HA 0.317 4.657 4.340 0.000 0.000 0.270 2057 L C -1.259 175.609 176.870 -0.003 0.000 0.973 2057 L CA -0.162 54.678 54.840 0.000 0.000 0.842 2057 L CB 1.471 43.528 42.059 -0.004 0.000 1.239 2057 L HN 0.607 nan 8.230 nan 0.000 0.406 2058 D N 4.574 124.972 120.400 -0.002 0.000 2.686 2058 D HA -0.202 4.438 4.640 0.000 0.000 0.235 2058 D C 1.185 177.484 176.300 -0.002 0.000 1.160 2058 D CA 1.579 55.577 54.000 -0.003 0.000 0.645 2058 D CB -0.940 39.856 40.800 -0.006 0.000 1.039 2058 D HN 1.206 nan 8.370 nan 0.000 0.423 2059 G N -0.876 107.924 108.800 0.000 0.000 2.168 2059 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 2059 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 2059 G C 0.223 175.122 174.900 -0.001 0.000 0.977 2059 G CA 0.752 45.852 45.100 0.000 0.000 0.659 2059 G HN 0.432 nan 8.290 nan 0.000 0.533 2060 K N 0.963 121.362 120.400 -0.003 0.000 2.221 2060 K HA 0.450 4.770 4.320 0.000 0.000 0.258 2060 K C -2.664 173.934 176.600 -0.004 0.000 0.944 2060 K CA -2.003 54.280 56.287 -0.005 0.000 0.823 2060 K CB 2.751 35.245 32.500 -0.010 0.000 1.113 2060 K HN 0.061 nan 8.250 nan 0.000 0.431 2061 P HA 0.109 nan 4.420 nan 0.000 0.271 2061 P C -0.505 176.790 177.300 -0.008 0.000 1.216 2061 P CA -0.225 62.874 63.100 -0.001 0.000 0.771 2061 P CB 0.790 32.488 31.700 -0.004 0.000 0.864 2062 V N 4.859 124.773 119.914 0.001 0.000 2.841 2062 V HA 0.364 4.484 4.120 0.000 0.000 0.310 2062 V C 0.167 176.268 176.094 0.012 0.000 1.090 2062 V CA -0.824 61.471 62.300 -0.008 0.000 0.930 2062 V CB 2.523 34.343 31.823 -0.005 0.000 1.014 2062 V HN 0.406 nan 8.190 nan 0.000 0.425 2063 I N 3.764 124.333 120.570 -0.003 0.000 2.437 2063 I HA 0.517 4.687 4.170 0.000 0.000 0.298 2063 I C -0.364 175.780 176.117 0.046 0.000 0.984 2063 I CA -0.519 60.798 61.300 0.029 0.000 1.214 2063 I CB 1.974 39.977 38.000 0.005 0.000 1.365 2063 I HN 0.263 nan 8.210 nan 0.000 0.469 2064 V N 5.164 125.137 119.914 0.098 0.000 2.407 2064 V HA 0.387 4.507 4.120 0.000 0.000 0.291 2064 V C -0.410 175.768 176.094 0.141 0.000 1.018 2064 V CA -0.501 61.858 62.300 0.098 0.000 0.842 2064 V CB 1.928 33.794 31.823 0.072 0.000 0.996 2064 V HN 0.886 nan 8.190 nan 0.000 0.426 2065 C N 5.105 124.483 119.300 0.129 0.000 2.481 2065 C HA 0.752 5.212 4.460 0.000 0.000 0.324 2065 C C 0.495 175.587 174.990 0.171 0.000 1.170 2065 C CA -0.330 58.786 59.018 0.165 0.000 1.361 2065 C CB 1.175 29.009 27.740 0.157 0.000 1.977 2065 C HN 1.028 nan 8.230 nan 0.000 0.459 2066 S N 3.176 118.990 115.700 0.191 0.000 2.586 2066 S HA 0.443 4.913 4.470 0.000 0.000 0.274 2066 S C 0.846 175.590 174.600 0.240 0.000 1.281 2066 S CA 0.287 58.583 58.200 0.160 0.000 1.035 2066 S CB 1.424 64.686 63.200 0.103 0.000 0.962 2066 S HN 0.997 nan 8.310 nan 0.000 0.512 2067 T N -1.086 113.569 114.554 0.169 0.000 3.037 2067 T HA 0.520 4.870 4.350 0.000 0.000 0.251 2067 T C 1.206 175.966 174.700 0.100 0.000 1.079 2067 T CA 0.242 62.471 62.100 0.215 0.000 1.067 2067 T CB -0.917 68.030 68.868 0.131 0.000 0.948 2067 T HN 1.886 nan 8.240 nan 0.000 0.496 2068 G N 1.578 110.369 108.800 -0.015 0.000 2.782 2068 G HA2 -0.128 3.832 3.960 0.000 0.000 0.228 2068 G HA3 -0.128 3.832 3.960 0.000 0.000 0.228 2068 G C -0.589 174.289 174.900 -0.036 0.000 1.372 2068 G CA -0.527 44.518 45.100 -0.093 0.000 0.862 2068 G HN 0.622 nan 8.290 nan 0.000 0.547 2069 I N 2.159 122.700 120.570 -0.047 0.000 2.416 2069 I HA 0.514 4.684 4.170 0.000 0.000 0.288 2069 I C 1.101 177.212 176.117 -0.010 0.000 1.051 2069 I CA 1.048 62.334 61.300 -0.024 0.000 1.375 2069 I CB 0.495 38.474 38.000 -0.036 0.000 1.407 2069 I HN 1.971 nan 8.210 nan 0.000 0.516 2070 G N 3.901 112.704 108.800 0.005 0.000 2.650 2070 G HA2 -0.064 3.896 3.960 0.000 0.000 0.686 2070 G HA3 -0.064 3.896 3.960 0.000 0.000 0.686 2070 G C 0.524 175.431 174.900 0.012 0.000 1.205 2070 G CA -0.512 44.592 45.100 0.008 0.000 0.781 2070 G HN 0.912 nan 8.290 nan 0.000 0.648 2071 G N 0.855 109.659 108.800 0.007 0.000 2.529 2071 G HA2 -0.062 3.898 3.960 0.000 0.000 0.219 2071 G HA3 -0.062 3.898 3.960 0.000 0.000 0.219 2071 G C 0.157 175.065 174.900 0.013 0.000 1.177 2071 G CA 2.340 47.443 45.100 0.005 0.000 0.773 2071 G HN 0.712 nan 8.290 nan 0.000 0.573 2072 P HA -0.125 nan 4.420 nan 0.000 0.213 2072 P C 2.507 179.838 177.300 0.051 0.000 1.170 2072 P CA 2.571 65.677 63.100 0.010 0.000 0.898 2072 P CB -0.294 31.405 31.700 -0.001 0.000 0.787 2073 S N -1.989 113.754 115.700 0.073 0.000 2.402 2073 S HA -0.126 4.344 4.470 0.000 0.000 0.229 2073 S C 1.960 176.696 174.600 0.226 0.000 1.021 2073 S CA 1.806 60.116 58.200 0.184 0.000 0.974 2073 S CB -1.987 61.267 63.200 0.091 0.000 0.800 2073 S HN 0.092 nan 8.310 nan 0.000 0.484 2074 T N 3.074 117.697 114.554 0.115 0.000 2.684 2074 T HA -0.133 4.217 4.350 0.000 0.000 0.267 2074 T C 2.356 177.057 174.700 0.002 0.000 1.036 2074 T CA 1.944 64.083 62.100 0.066 0.000 1.148 2074 T CB -0.779 68.096 68.868 0.012 0.000 0.863 2074 T HN 0.797 nan 8.240 nan 0.000 0.436 2075 S N 1.290 116.997 115.700 0.012 0.000 2.382 2075 S HA -0.070 4.400 4.470 0.000 0.000 0.228 2075 S C 2.079 176.684 174.600 0.009 0.000 1.027 2075 S CA 0.941 59.152 58.200 0.019 0.000 0.991 2075 S CB -0.796 62.511 63.200 0.179 0.000 0.823 2075 S HN 0.516 nan 8.310 nan 0.000 0.469 2076 I N 2.293 122.859 120.570 -0.007 0.000 2.163 2076 I HA -0.130 4.040 4.170 0.000 0.000 0.240 2076 I C 3.153 179.149 176.117 -0.201 0.000 1.081 2076 I CA 1.131 62.361 61.300 -0.117 0.000 1.353 2076 I CB -0.797 37.056 38.000 -0.246 0.000 1.054 2076 I HN 0.439 nan 8.210 nan 0.000 0.407 2077 A N 0.475 123.167 122.820 -0.213 0.000 1.892 2077 A HA -0.189 4.131 4.320 0.000 0.000 0.218 2077 A C 2.424 179.974 177.584 -0.057 0.000 1.188 2077 A CA 2.157 54.079 52.037 -0.190 0.000 0.631 2077 A CB -1.073 17.942 19.000 0.025 0.000 0.822 2077 A HN 0.259 nan 8.150 nan 0.000 0.447 2078 V N -0.017 119.833 119.914 -0.107 0.000 2.358 2078 V HA -0.214 3.906 4.120 0.000 0.000 0.246 2078 V C 2.611 178.622 176.094 -0.138 0.000 1.047 2078 V CA 2.370 64.511 62.300 -0.264 0.000 1.035 2078 V CB -0.723 30.744 31.823 -0.594 0.000 0.658 2078 V HN 0.752 nan 8.190 nan 0.000 0.452 2079 E N 0.965 121.111 120.200 -0.091 0.000 2.058 2079 E HA -0.245 4.105 4.350 0.000 0.000 0.194 2079 E C 2.084 178.708 176.600 0.040 0.000 0.997 2079 E CA 1.990 58.387 56.400 -0.006 0.000 0.801 2079 E CB -0.261 29.469 29.700 0.049 0.000 0.746 2079 E HN 0.677 nan 8.360 nan 0.000 0.450 2080 E N -0.319 119.894 120.200 0.023 0.000 2.158 2080 E HA -0.047 4.303 4.350 0.000 0.000 0.191 2080 E C 2.246 178.884 176.600 0.063 0.000 0.982 2080 E CA 0.675 57.097 56.400 0.037 0.000 0.823 2080 E CB -0.058 29.643 29.700 0.000 0.000 0.766 2080 E HN 0.290 nan 8.360 nan 0.000 0.468 2081 L N 0.692 121.977 121.223 0.105 0.000 2.046 2081 L HA -0.170 4.170 4.340 0.000 0.000 0.208 2081 L C 2.591 179.571 176.870 0.182 0.000 1.077 2081 L CA 0.987 55.922 54.840 0.158 0.000 0.747 2081 L CB -0.437 41.792 42.059 0.283 0.000 0.896 2081 L HN 0.142 nan 8.230 nan 0.000 0.432 2082 A N -0.532 122.444 122.820 0.260 0.000 1.908 2082 A HA -0.269 4.052 4.320 0.000 0.000 0.218 2082 A C 2.211 179.861 177.584 0.109 0.000 1.181 2082 A CA 1.610 53.778 52.037 0.218 0.000 0.627 2082 A CB -0.510 18.604 19.000 0.189 0.000 0.818 2082 A HN 0.469 nan 8.150 nan 0.000 0.445 2083 Q N -1.180 118.671 119.800 0.086 0.000 2.135 2083 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 2083 Q C 1.546 177.575 176.000 0.048 0.000 0.981 2083 Q CA 1.117 56.957 55.803 0.060 0.000 0.856 2083 Q CB -0.216 28.556 28.738 0.056 0.000 0.902 2083 Q HN 0.476 nan 8.270 nan 0.000 0.425 2084 L N -1.507 119.745 121.223 0.048 0.000 2.478 2084 L HA 0.065 4.405 4.340 0.000 0.000 0.223 2084 L C 1.435 178.316 176.870 0.019 0.000 1.140 2084 L CA 1.701 56.559 54.840 0.030 0.000 0.842 2084 L CB -0.136 41.939 42.059 0.027 0.000 0.953 2084 L HN 0.412 nan 8.230 nan 0.000 0.452 2085 G N -1.702 107.113 108.800 0.024 0.000 2.227 2085 G HA2 -0.167 3.793 3.960 0.000 0.000 0.168 2085 G HA3 -0.167 3.793 3.960 0.000 0.000 0.168 2085 G C 0.315 175.202 174.900 -0.022 0.000 1.006 2085 G CA -0.481 44.623 45.100 0.007 0.000 0.684 2085 G HN 0.051 nan 8.290 nan 0.000 0.489 2086 I N 1.216 121.759 120.570 -0.045 0.000 2.648 2086 I HA 0.286 4.456 4.170 0.000 0.000 0.284 2086 I C 1.331 177.362 176.117 -0.142 0.000 1.153 2086 I CA 0.313 61.495 61.300 -0.197 0.000 1.426 2086 I CB 0.930 38.685 38.000 -0.409 0.000 1.381 2086 I HN 0.107 nan 8.210 nan 0.000 0.571 2087 R N 2.953 123.343 120.500 -0.183 0.000 2.487 2087 R HA 0.204 4.544 4.340 0.000 0.000 0.272 2087 R C -0.309 175.969 176.300 -0.036 0.000 0.928 2087 R CA 0.165 56.248 56.100 -0.029 0.000 1.077 2087 R CB 0.611 30.910 30.300 -0.002 0.000 1.265 2087 R HN 0.546 nan 8.270 nan 0.000 0.537 2088 T N 1.124 115.512 114.554 -0.277 0.000 2.937 2088 T HA 0.541 4.891 4.350 0.000 0.000 0.297 2088 T C -1.078 173.400 174.700 -0.371 0.000 0.991 2088 T CA -0.319 61.689 62.100 -0.153 0.000 0.990 2088 T CB 1.196 70.007 68.868 -0.095 0.000 0.991 2088 T HN -0.140 nan 8.240 nan 0.000 0.440 2089 F N 2.833 122.779 119.950 -0.006 0.000 2.477 2089 F HA 0.558 5.085 4.527 0.000 0.000 0.335 2089 F C -0.160 175.637 175.800 -0.006 0.000 1.130 2089 F CA -1.037 56.959 58.000 -0.006 0.000 0.948 2089 F CB 1.297 40.289 39.000 -0.014 0.000 1.154 2089 F HN 0.207 nan 8.300 nan 0.000 0.439 2090 L N 4.538 125.836 121.223 0.125 0.000 2.294 2090 L HA 0.511 4.851 4.340 0.000 0.000 0.283 2090 L C -0.005 176.915 176.870 0.083 0.000 1.015 2090 L CA -0.629 54.258 54.840 0.079 0.000 0.831 2090 L CB 1.601 43.678 42.059 0.030 0.000 1.217 2090 L HN 0.601 nan 8.230 nan 0.000 0.420 2091 R N 4.302 124.846 120.500 0.074 0.000 2.349 2091 R HA 0.502 4.842 4.340 0.000 0.000 0.299 2091 R C -1.045 175.278 176.300 0.038 0.000 1.027 2091 R CA -0.478 55.658 56.100 0.060 0.000 0.958 2091 R CB 1.310 31.639 30.300 0.048 0.000 1.047 2091 R HN 0.489 nan 8.270 nan 0.000 0.468 2092 I N 4.181 124.771 120.570 0.034 0.000 2.439 2092 I HA 0.503 4.673 4.170 0.000 0.000 0.285 2092 I C -0.841 175.289 176.117 0.022 0.000 1.021 2092 I CA -0.083 61.231 61.300 0.023 0.000 1.091 2092 I CB 1.328 39.337 38.000 0.016 0.000 1.242 2092 I HN 0.864 nan 8.210 nan 0.000 0.439 2093 G N 4.632 113.444 108.800 0.021 0.000 2.818 2093 G HA2 0.681 4.641 3.960 0.000 0.000 0.286 2093 G HA3 0.681 4.641 3.960 0.000 0.000 0.286 2093 G C -0.796 174.117 174.900 0.023 0.000 1.364 2093 G CA -0.414 44.699 45.100 0.021 0.000 0.938 2093 G HN 0.582 nan 8.290 nan 0.000 0.490 2094 T N -2.711 111.859 114.554 0.026 0.000 2.943 2094 T HA 0.749 5.100 4.350 0.000 0.000 0.284 2094 T C -0.204 174.521 174.700 0.042 0.000 1.015 2094 T CA -0.556 61.563 62.100 0.032 0.000 1.042 2094 T CB 2.012 70.900 68.868 0.033 0.000 1.055 2094 T HN 0.892 nan 8.240 nan 0.000 0.500 2095 T N -0.504 114.074 114.554 0.041 0.000 2.840 2095 T HA 0.634 4.984 4.350 0.000 0.000 0.317 2095 T C -0.684 174.035 174.700 0.032 0.000 1.401 2095 T CA -0.404 61.720 62.100 0.039 0.000 1.028 2095 T CB 1.292 70.174 68.868 0.024 0.000 1.317 2095 T HN 1.173 nan 8.240 nan 0.000 0.495 2096 G N 1.438 110.257 108.800 0.031 0.000 2.370 2096 G HA2 0.669 4.629 3.960 0.000 0.000 0.317 2096 G HA3 0.669 4.629 3.960 0.000 0.000 0.317 2096 G C -0.095 174.809 174.900 0.007 0.000 1.162 2096 G CA -0.184 44.929 45.100 0.023 0.000 0.922 2096 G HN 0.971 nan 8.290 nan 0.000 0.454 2097 A N 2.025 124.830 122.820 -0.025 0.000 2.322 2097 A HA 0.614 4.934 4.320 0.000 0.000 0.269 2097 A C 0.997 178.539 177.584 -0.070 0.000 1.094 2097 A CA -0.506 51.485 52.037 -0.077 0.000 0.807 2097 A CB 0.403 19.338 19.000 -0.109 0.000 1.047 2097 A HN 1.300 nan 8.150 nan 0.000 0.487 2098 I N -2.472 118.032 120.570 -0.111 0.000 4.240 2098 I HA 0.263 4.433 4.170 0.000 0.000 0.331 2098 I C -0.241 175.831 176.117 -0.076 0.000 1.381 2098 I CA -0.303 60.952 61.300 -0.075 0.000 1.136 2098 I CB 0.271 38.203 38.000 -0.112 0.000 1.137 2098 I HN 0.307 nan 8.210 nan 0.000 0.411 2099 Q N 2.827 122.542 119.800 -0.141 0.000 2.256 2099 Q HA 0.398 4.738 4.340 0.000 0.000 0.257 2099 Q C -1.875 174.026 176.000 -0.166 0.000 0.936 2099 Q CA -2.133 53.584 55.803 -0.144 0.000 0.903 2099 Q CB 1.861 30.438 28.738 -0.269 0.000 1.263 2099 Q HN 0.040 nan 8.270 nan 0.000 0.440 2100 P HA -0.118 nan 4.420 nan 0.000 0.230 2100 P C 0.640 177.943 177.300 0.003 0.000 1.158 2100 P CA 1.276 64.375 63.100 -0.002 0.000 0.769 2100 P CB 0.185 31.914 31.700 0.049 0.000 0.807 2101 H N -1.618 117.418 119.070 -0.057 0.000 2.551 2101 H HA 0.274 4.830 4.556 0.000 0.000 0.271 2101 H C 0.506 175.782 175.328 -0.086 0.000 0.984 2101 H CA -0.426 55.593 56.048 -0.049 0.000 1.164 2101 H CB -0.453 29.286 29.762 -0.037 0.000 1.437 2101 H HN 0.108 nan 8.280 nan 0.000 0.550 2102 I N 3.059 123.287 120.570 -0.569 0.000 2.342 2102 I HA 0.065 4.235 4.170 0.000 0.000 0.291 2102 I C -0.180 175.859 176.117 -0.131 0.000 1.010 2102 I CA -0.478 60.569 61.300 -0.421 0.000 1.308 2102 I CB 0.844 38.502 38.000 -0.570 0.000 1.400 2102 I HN 0.072 nan 8.210 nan 0.000 0.488 2103 N N 4.958 123.655 118.700 -0.005 0.000 2.492 2103 N HA 0.300 5.040 4.740 0.000 0.000 0.289 2103 N C -0.535 174.988 175.510 0.023 0.000 1.133 2103 N CA -0.610 52.451 53.050 0.018 0.000 0.961 2103 N CB 1.956 40.471 38.487 0.048 0.000 1.186 2103 N HN 0.179 nan 8.380 nan 0.000 0.493 2104 V N 1.040 120.963 119.914 0.015 0.000 2.557 2104 V HA 0.217 4.337 4.120 0.000 0.000 0.301 2104 V C 1.467 177.575 176.094 0.024 0.000 1.026 2104 V CA 1.579 63.889 62.300 0.016 0.000 1.137 2104 V CB 0.108 31.938 31.823 0.012 0.000 0.917 2104 V HN 1.055 nan 8.190 nan 0.000 0.484 2105 G N 3.938 112.755 108.800 0.028 0.000 2.213 2105 G HA2 -0.173 3.787 3.960 0.000 0.000 0.226 2105 G HA3 -0.173 3.787 3.960 0.000 0.000 0.226 2105 G C -0.026 174.919 174.900 0.075 0.000 0.992 2105 G CA -0.012 45.108 45.100 0.033 0.000 0.632 2105 G HN 0.655 nan 8.290 nan 0.000 0.511 2106 D N 0.085 120.534 120.400 0.082 0.000 2.357 2106 D HA 0.498 5.138 4.640 0.000 0.000 0.242 2106 D C 0.512 176.870 176.300 0.096 0.000 1.153 2106 D CA 0.076 54.142 54.000 0.110 0.000 0.918 2106 D CB 1.644 42.551 40.800 0.178 0.000 1.181 2106 D HN 0.180 nan 8.370 nan 0.000 0.435 2107 V N 2.076 122.037 119.914 0.077 0.000 2.435 2107 V HA 0.367 4.487 4.120 0.000 0.000 0.290 2107 V C -0.043 176.086 176.094 0.059 0.000 1.030 2107 V CA -0.672 61.659 62.300 0.052 0.000 0.881 2107 V CB 1.244 33.077 31.823 0.016 0.000 0.983 2107 V HN 0.267 nan 8.190 nan 0.000 0.445 2108 L N 5.370 126.625 121.223 0.053 0.000 2.333 2108 L HA 0.638 4.978 4.340 0.000 0.000 0.280 2108 L C -0.722 176.165 176.870 0.028 0.000 1.004 2108 L CA -0.802 54.072 54.840 0.057 0.000 0.820 2108 L CB 2.046 44.132 42.059 0.046 0.000 1.247 2108 L HN 0.318 nan 8.230 nan 0.000 0.416 2109 V N 1.731 121.660 119.914 0.024 0.000 2.398 2109 V HA 0.314 4.434 4.120 0.000 0.000 0.286 2109 V C 0.265 176.365 176.094 0.011 0.000 1.026 2109 V CA -0.380 61.925 62.300 0.008 0.000 0.868 2109 V CB 1.766 33.585 31.823 -0.006 0.000 0.982 2109 V HN 0.732 nan 8.190 nan 0.000 0.443 2110 T N 3.460 118.017 114.554 0.005 0.000 2.743 2110 T HA 0.194 4.544 4.350 0.000 0.000 0.293 2110 T C 1.342 176.047 174.700 0.007 0.000 0.945 2110 T CA 0.175 62.276 62.100 0.002 0.000 1.030 2110 T CB 1.187 70.052 68.868 -0.004 0.000 0.912 2110 T HN 0.970 nan 8.240 nan 0.000 0.483 2111 T N 0.880 115.441 114.554 0.012 0.000 2.896 2111 T HA 0.431 4.781 4.350 0.000 0.000 0.263 2111 T C 0.753 175.466 174.700 0.020 0.000 1.050 2111 T CA 0.327 62.441 62.100 0.024 0.000 1.140 2111 T CB 0.137 69.025 68.868 0.034 0.000 0.877 2111 T HN 0.751 nan 8.240 nan 0.000 0.457 2112 A N -0.090 122.733 122.820 0.004 0.000 2.601 2112 A HA 0.675 4.995 4.320 0.000 0.000 0.291 2112 A C -1.011 176.558 177.584 -0.025 0.000 1.075 2112 A CA -0.839 51.196 52.037 -0.003 0.000 0.671 2112 A CB 1.282 20.280 19.000 -0.004 0.000 1.277 2112 A HN 0.196 nan 8.150 nan 0.000 0.417 2113 S N -0.229 115.454 115.700 -0.028 0.000 2.503 2113 S HA 0.588 5.058 4.470 0.000 0.000 0.301 2113 S C -0.308 174.241 174.600 -0.084 0.000 1.087 2113 S CA -0.536 57.628 58.200 -0.060 0.000 1.042 2113 S CB 1.641 64.817 63.200 -0.041 0.000 1.043 2113 S HN 0.888 nan 8.310 nan 0.000 0.489 2114 V N 3.404 123.213 119.914 -0.174 0.000 2.521 2114 V HA 0.179 4.299 4.120 0.000 0.000 0.286 2114 V C 0.573 176.584 176.094 -0.139 0.000 1.034 2114 V CA -0.008 62.149 62.300 -0.238 0.000 1.045 2114 V CB -0.133 31.336 31.823 -0.590 0.000 0.974 2114 V HN 0.698 nan 8.190 nan 0.000 0.480 2115 R N 5.290 125.764 120.500 -0.043 0.000 2.608 2115 R HA 0.336 4.676 4.340 0.000 0.000 0.277 2115 R C 0.019 176.364 176.300 0.074 0.000 1.341 2115 R CA -0.150 55.967 56.100 0.028 0.000 1.199 2115 R CB 0.093 30.435 30.300 0.069 0.000 1.156 2115 R HN 0.673 nan 8.270 nan 0.000 0.558 2116 L N 2.440 123.711 121.223 0.079 0.000 2.851 2116 L HA 0.143 4.483 4.340 0.000 0.000 0.237 2116 L C 0.223 177.188 176.870 0.159 0.000 1.257 2116 L CA -0.203 54.753 54.840 0.193 0.000 1.061 2116 L CB -0.683 41.518 42.059 0.238 0.000 1.372 2116 L HN 0.536 nan 8.230 nan 0.000 0.493 2117 D N -1.448 119.017 120.400 0.110 0.000 2.497 2117 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2117 D C 0.695 177.041 176.300 0.077 0.000 1.039 2117 D CA -0.391 53.655 54.000 0.076 0.000 1.052 2117 D CB 2.016 42.844 40.800 0.047 0.000 1.344 2117 D HN -0.068 nan 8.370 nan 0.000 0.553 2118 G N -0.931 107.893 108.800 0.040 0.000 2.673 2118 G HA2 0.208 4.168 3.960 0.000 0.000 0.208 2118 G HA3 0.208 4.168 3.960 0.000 0.000 0.208 2118 G C 1.288 176.156 174.900 -0.053 0.000 1.128 2118 G CA 0.616 45.731 45.100 0.026 0.000 0.805 2118 G HN 0.609 nan 8.290 nan 0.000 0.526 2119 A N 1.712 124.470 122.820 -0.103 0.000 1.969 2119 A HA 0.015 4.335 4.320 0.000 0.000 0.218 2119 A C 2.681 180.318 177.584 0.088 0.000 1.169 2119 A CA 2.303 54.231 52.037 -0.181 0.000 0.635 2119 A CB -0.656 18.310 19.000 -0.057 0.000 0.810 2119 A HN 0.671 nan 8.150 nan 0.000 0.445 2120 S N 0.447 116.231 115.700 0.140 0.000 2.383 2120 S HA -0.139 4.331 4.470 0.000 0.000 0.229 2120 S C 1.724 176.468 174.600 0.240 0.000 1.030 2120 S CA 1.515 59.847 58.200 0.221 0.000 1.002 2120 S CB -0.839 62.439 63.200 0.131 0.000 0.829 2120 S HN 0.448 nan 8.310 nan 0.000 0.467 2121 L N 0.871 122.209 121.223 0.192 0.000 2.353 2121 L HA -0.041 4.299 4.340 0.000 0.000 0.220 2121 L C 2.399 179.362 176.870 0.155 0.000 1.133 2121 L CA 1.163 56.106 54.840 0.172 0.000 0.798 2121 L CB -0.802 41.357 42.059 0.167 0.000 0.922 2121 L HN 0.505 nan 8.230 nan 0.000 0.445 2122 H N -1.843 117.163 119.070 -0.107 0.000 2.551 2122 H HA 0.013 4.569 4.556 0.000 0.000 0.266 2122 H C 1.362 176.314 175.328 -0.627 0.000 0.977 2122 H CA 0.595 56.422 56.048 -0.368 0.000 1.163 2122 H CB 0.402 29.876 29.762 -0.480 0.000 1.381 2122 H HN 0.345 nan 8.280 nan 0.000 0.581 2123 F N -0.232 119.735 119.950 0.028 0.000 2.619 2123 F HA 0.419 4.946 4.527 0.000 0.000 0.281 2123 F C 0.895 176.601 175.800 -0.157 0.000 1.065 2123 F CA 0.035 57.993 58.000 -0.070 0.000 1.304 2123 F CB 0.920 39.863 39.000 -0.095 0.000 1.059 2123 F HN -0.051 nan 8.300 nan 0.000 0.648 2124 A N 0.343 123.179 122.820 0.026 0.000 2.574 2124 A HA 0.648 4.968 4.320 0.000 0.000 0.297 2124 A C -2.763 174.831 177.584 0.016 0.000 1.062 2124 A CA -1.483 50.488 52.037 -0.110 0.000 0.686 2124 A CB 0.710 19.414 19.000 -0.494 0.000 1.285 2124 A HN -0.176 nan 8.150 nan 0.000 0.403 2125 P HA 0.121 nan 4.420 nan 0.000 0.271 2125 P C 0.854 178.231 177.300 0.129 0.000 1.244 2125 P CA -0.328 62.819 63.100 0.077 0.000 0.793 2125 P CB 0.645 32.387 31.700 0.070 0.000 0.984 2126 L N 1.316 122.605 121.223 0.110 0.000 2.127 2126 L HA -0.187 4.153 4.340 0.000 0.000 0.211 2126 L C 2.197 179.148 176.870 0.136 0.000 1.089 2126 L CA 1.849 56.761 54.840 0.120 0.000 0.757 2126 L CB -1.343 40.773 42.059 0.095 0.000 0.899 2126 L HN 0.450 nan 8.230 nan 0.000 0.434 2127 E N -1.112 119.166 120.200 0.131 0.000 2.409 2127 E HA -0.239 4.112 4.350 0.000 0.000 0.198 2127 E C 0.718 177.400 176.600 0.136 0.000 1.024 2127 E CA 0.087 56.553 56.400 0.111 0.000 0.861 2127 E CB -0.723 29.030 29.700 0.089 0.000 0.788 2127 E HN 0.443 nan 8.360 nan 0.000 0.521 2128 F N 4.021 123.994 119.950 0.038 0.000 2.427 2128 F HA 0.240 4.767 4.527 -0.000 0.000 0.352 2128 F C -2.039 173.781 175.800 0.032 0.000 1.100 2128 F CA -2.711 55.311 58.000 0.036 0.000 1.191 2128 F CB 0.803 39.829 39.000 0.044 0.000 1.128 2128 F HN -0.180 nan 8.300 nan 0.000 0.533 2129 P HA 0.118 nan 4.420 nan 0.000 0.276 2129 P C -1.106 176.241 177.300 0.079 0.000 1.235 2129 P CA -0.336 62.706 63.100 -0.098 0.000 0.772 2129 P CB 1.195 32.763 31.700 -0.219 0.000 0.871 2130 A N 4.057 126.941 122.820 0.106 0.000 3.048 2130 A HA 0.226 4.546 4.320 0.000 0.000 0.264 2130 A C 0.340 177.959 177.584 0.058 0.000 1.796 2130 A CA -0.301 51.802 52.037 0.111 0.000 1.445 2130 A CB -1.017 18.025 19.000 0.070 0.000 1.074 2130 A HN 0.474 nan 8.150 nan 0.000 0.621 2131 V N 1.745 121.694 119.914 0.058 0.000 2.481 2131 V HA 0.661 4.781 4.120 0.000 0.000 0.286 2131 V C 0.689 176.815 176.094 0.054 0.000 1.042 2131 V CA -0.174 62.145 62.300 0.031 0.000 0.928 2131 V CB 1.246 33.064 31.823 -0.009 0.000 0.986 2131 V HN 0.883 nan 8.190 nan 0.000 0.462 2132 A N 4.330 127.179 122.820 0.048 0.000 2.332 2132 A HA 0.366 4.686 4.320 0.000 0.000 0.258 2132 A C 0.096 177.727 177.584 0.080 0.000 1.087 2132 A CA -0.197 51.873 52.037 0.055 0.000 0.802 2132 A CB 0.129 19.152 19.000 0.039 0.000 1.042 2132 A HN 1.035 nan 8.150 nan 0.000 0.489 2133 D N -0.041 120.407 120.400 0.081 0.000 2.424 2133 D HA 0.108 4.748 4.640 0.000 0.000 0.244 2133 D C 0.663 177.037 176.300 0.123 0.000 1.134 2133 D CA 0.039 54.103 54.000 0.106 0.000 0.881 2133 D CB 0.154 41.007 40.800 0.088 0.000 1.191 2133 D HN 0.406 nan 8.370 nan 0.000 0.445 2134 F N 2.770 122.729 119.950 0.015 0.000 2.171 2134 F HA -0.084 4.443 4.527 0.000 0.000 0.300 2134 F C 1.795 177.600 175.800 0.009 0.000 1.090 2134 F CA 1.291 59.296 58.000 0.009 0.000 1.293 2134 F CB 0.188 39.191 39.000 0.005 0.000 1.013 2134 F HN 0.530 nan 8.300 nan 0.000 0.486 2135 E N -0.620 119.568 120.200 -0.020 0.000 2.107 2135 E HA -0.189 4.161 4.350 0.000 0.000 0.191 2135 E C 2.326 178.842 176.600 -0.139 0.000 0.982 2135 E CA 1.329 57.659 56.400 -0.117 0.000 0.809 2135 E CB -0.383 29.325 29.700 0.012 0.000 0.756 2135 E HN 0.436 nan 8.360 nan 0.000 0.459 2136 C N 0.480 119.739 119.300 -0.068 0.000 2.432 2136 C HA -0.114 4.346 4.460 0.000 0.000 0.277 2136 C C 2.862 177.797 174.990 -0.090 0.000 1.249 2136 C CA 1.160 60.146 59.018 -0.053 0.000 1.725 2136 C CB -0.940 26.799 27.740 -0.002 0.000 2.028 2136 C HN 0.506 nan 8.230 nan 0.000 0.477 2137 T N 0.623 115.110 114.554 -0.111 0.000 2.684 2137 T HA -0.189 4.161 4.350 0.000 0.000 0.267 2137 T C 1.793 176.374 174.700 -0.198 0.000 1.036 2137 T CA 2.283 64.309 62.100 -0.124 0.000 1.148 2137 T CB -0.615 68.197 68.868 -0.094 0.000 0.863 2137 T HN 0.594 nan 8.240 nan 0.000 0.436 2138 T N 1.940 116.278 114.554 -0.360 0.000 2.684 2138 T HA -0.080 4.270 4.350 0.000 0.000 0.267 2138 T C 2.379 176.960 174.700 -0.198 0.000 1.036 2138 T CA 1.280 63.164 62.100 -0.360 0.000 1.148 2138 T CB -0.617 67.912 68.868 -0.564 0.000 0.863 2138 T HN 0.451 nan 8.240 nan 0.000 0.436 2139 A N 1.121 123.844 122.820 -0.161 0.000 1.883 2139 A HA -0.026 4.294 4.320 0.000 0.000 0.217 2139 A C 2.321 179.856 177.584 -0.083 0.000 1.186 2139 A CA 1.332 53.308 52.037 -0.102 0.000 0.624 2139 A CB -0.895 18.059 19.000 -0.078 0.000 0.822 2139 A HN 0.479 nan 8.150 nan 0.000 0.444 2140 L N -0.673 120.503 121.223 -0.079 0.000 2.017 2140 L HA -0.173 4.167 4.340 0.000 0.000 0.208 2140 L C 2.562 179.392 176.870 -0.065 0.000 1.073 2140 L CA 1.202 56.005 54.840 -0.060 0.000 0.745 2140 L CB -0.599 41.432 42.059 -0.046 0.000 0.894 2140 L HN 0.252 nan 8.230 nan 0.000 0.432 2141 V N -0.300 119.567 119.914 -0.078 0.000 2.295 2141 V HA -0.296 3.824 4.120 0.000 0.000 0.246 2141 V C 2.410 178.461 176.094 -0.071 0.000 1.049 2141 V CA 1.926 64.183 62.300 -0.072 0.000 1.024 2141 V CB -0.391 31.386 31.823 -0.076 0.000 0.648 2141 V HN 0.407 nan 8.190 nan 0.000 0.447 2142 E N -0.158 119.996 120.200 -0.078 0.000 2.077 2142 E HA -0.167 4.183 4.350 0.000 0.000 0.193 2142 E C 2.276 178.839 176.600 -0.062 0.000 0.989 2142 E CA 1.326 57.685 56.400 -0.067 0.000 0.800 2142 E CB -0.370 29.289 29.700 -0.069 0.000 0.746 2142 E HN 0.580 nan 8.360 nan 0.000 0.452 2143 A N 0.956 123.738 122.820 -0.063 0.000 1.877 2143 A HA -0.169 4.151 4.320 0.000 0.000 0.216 2143 A C 2.380 179.921 177.584 -0.071 0.000 1.186 2143 A CA 1.865 53.866 52.037 -0.059 0.000 0.620 2143 A CB -0.894 18.074 19.000 -0.053 0.000 0.822 2143 A HN 0.346 nan 8.150 nan 0.000 0.443 2144 A N -0.721 122.053 122.820 -0.076 0.000 1.978 2144 A HA -0.165 4.155 4.320 0.000 0.000 0.220 2144 A C 2.067 179.591 177.584 -0.099 0.000 1.170 2144 A CA 2.301 54.280 52.037 -0.095 0.000 0.636 2144 A CB -0.368 18.579 19.000 -0.087 0.000 0.810 2144 A HN 0.421 nan 8.150 nan 0.000 0.448 2145 K N 0.392 120.745 120.400 -0.079 0.000 2.057 2145 K HA -0.091 4.229 4.320 0.000 0.000 0.206 2145 K C 2.381 178.940 176.600 -0.068 0.000 1.050 2145 K CA 1.622 57.867 56.287 -0.070 0.000 0.935 2145 K CB -0.291 32.176 32.500 -0.056 0.000 0.715 2145 K HN 0.616 nan 8.250 nan 0.000 0.439 2146 S N 0.133 115.794 115.700 -0.064 0.000 2.436 2146 S HA -0.089 4.381 4.470 0.000 0.000 0.228 2146 S C 1.771 176.332 174.600 -0.064 0.000 1.014 2146 S CA 0.867 59.033 58.200 -0.055 0.000 0.950 2146 S CB -0.460 62.712 63.200 -0.047 0.000 0.784 2146 S HN 0.411 nan 8.310 nan 0.000 0.504 2147 I N -1.613 118.903 120.570 -0.090 0.000 3.883 2147 I HA 0.565 4.735 4.170 0.000 0.000 0.326 2147 I C 1.354 177.384 176.117 -0.145 0.000 1.283 2147 I CA 0.353 61.586 61.300 -0.111 0.000 1.161 2147 I CB -0.344 37.576 38.000 -0.133 0.000 1.012 2147 I HN 0.295 nan 8.210 nan 0.000 0.421 2148 G N 1.337 110.063 108.800 -0.124 0.000 2.168 2148 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 2148 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 2148 G C 0.470 175.283 174.900 -0.145 0.000 0.997 2148 G CA 0.138 45.173 45.100 -0.108 0.000 0.708 2148 G HN 1.026 nan 8.290 nan 0.000 0.520 2149 A N 0.153 122.830 122.820 -0.239 0.000 2.425 2149 A HA 0.674 4.994 4.320 0.000 0.000 0.249 2149 A C 1.026 178.534 177.584 -0.127 0.000 1.084 2149 A CA 1.063 52.944 52.037 -0.260 0.000 0.781 2149 A CB 0.367 19.137 19.000 -0.383 0.000 1.019 2149 A HN 1.843 nan 8.150 nan 0.000 0.490 2150 T N 1.110 115.624 114.554 -0.066 0.000 2.814 2150 T HA 0.497 4.847 4.350 0.000 0.000 0.297 2150 T C 0.010 174.607 174.700 -0.172 0.000 0.956 2150 T CA 0.134 62.172 62.100 -0.103 0.000 1.123 2150 T CB -0.168 68.669 68.868 -0.052 0.000 0.902 2150 T HN 0.582 nan 8.240 nan 0.000 0.528 2151 T N 5.082 119.464 114.554 -0.287 0.000 2.861 2151 T HA 0.439 4.789 4.350 0.000 0.000 0.287 2151 T C -0.953 173.480 174.700 -0.445 0.000 1.003 2151 T CA -0.769 61.176 62.100 -0.258 0.000 0.977 2151 T CB 0.970 69.754 68.868 -0.139 0.000 0.996 2151 T HN 0.731 nan 8.240 nan 0.000 0.448 2152 H N 0.867 119.942 119.070 0.009 0.000 2.524 2152 H HA 0.604 5.160 4.556 0.000 0.000 0.353 2152 H C -0.901 174.432 175.328 0.009 0.000 1.136 2152 H CA -0.614 55.447 56.048 0.021 0.000 1.193 2152 H CB 1.907 31.685 29.762 0.027 0.000 1.558 2152 H HN 0.255 nan 8.280 nan 0.000 0.515 2153 V N 2.066 122.053 119.914 0.121 0.000 2.448 2153 V HA 0.674 4.794 4.120 0.000 0.000 0.295 2153 V C 0.531 176.665 176.094 0.067 0.000 1.025 2153 V CA -0.161 62.178 62.300 0.066 0.000 0.859 2153 V CB 1.276 33.120 31.823 0.036 0.000 0.988 2153 V HN 1.110 nan 8.190 nan 0.000 0.431 2154 G N 3.302 112.128 108.800 0.043 0.000 2.392 2154 G HA2 0.386 4.346 3.960 0.000 0.000 0.260 2154 G HA3 0.386 4.346 3.960 0.000 0.000 0.260 2154 G C -1.391 173.512 174.900 0.005 0.000 1.226 2154 G CA -0.411 44.707 45.100 0.030 0.000 0.913 2154 G HN 0.487 nan 8.290 nan 0.000 0.483 2155 V N 0.819 120.726 119.914 -0.010 0.000 2.607 2155 V HA 0.635 4.755 4.120 0.000 0.000 0.289 2155 V C 0.286 176.333 176.094 -0.078 0.000 1.053 2155 V CA -0.012 62.263 62.300 -0.041 0.000 0.996 2155 V CB 1.354 33.152 31.823 -0.042 0.000 0.995 2155 V HN 0.755 nan 8.190 nan 0.000 0.476 2156 T N 3.539 118.033 114.554 -0.100 0.000 2.841 2156 T HA 0.647 4.997 4.350 0.000 0.000 0.283 2156 T C -0.109 174.469 174.700 -0.202 0.000 1.000 2156 T CA -0.279 61.742 62.100 -0.132 0.000 0.977 2156 T CB 1.617 70.440 68.868 -0.075 0.000 0.979 2156 T HN 0.913 nan 8.240 nan 0.000 0.446 2157 A N 2.300 124.946 122.820 -0.290 0.000 2.276 2157 A HA 0.635 4.956 4.320 0.000 0.000 0.300 2157 A C 0.330 177.859 177.584 -0.091 0.000 1.235 2157 A CA -0.451 51.377 52.037 -0.349 0.000 0.867 2157 A CB 0.409 19.030 19.000 -0.632 0.000 1.137 2157 A HN 0.636 nan 8.150 nan 0.000 0.527 2158 S N 2.030 117.686 115.700 -0.072 0.000 2.566 2158 S HA 0.549 5.019 4.470 0.000 0.000 0.324 2158 S C -0.270 174.342 174.600 0.019 0.000 1.081 2158 S CA -0.333 57.863 58.200 -0.006 0.000 1.105 2158 S CB 0.539 63.728 63.200 -0.017 0.000 0.981 2158 S HN 1.024 nan 8.310 nan 0.000 0.464 2159 S N 3.384 119.094 115.700 0.018 0.000 2.472 2159 S HA 0.362 4.832 4.470 0.000 0.000 0.303 2159 S C 0.399 174.982 174.600 -0.029 0.000 1.099 2159 S CA -0.609 57.579 58.200 -0.019 0.000 1.077 2159 S CB 1.266 64.387 63.200 -0.131 0.000 1.031 2159 S HN 0.722 nan 8.310 nan 0.000 0.487 2160 D N 2.221 122.615 120.400 -0.010 0.000 2.378 2160 D HA 0.071 4.711 4.640 0.000 0.000 0.222 2160 D C 0.836 177.123 176.300 -0.020 0.000 0.980 2160 D CA 0.988 54.987 54.000 -0.002 0.000 0.907 2160 D CB 0.135 40.951 40.800 0.027 0.000 0.899 2160 D HN 0.727 nan 8.370 nan 0.000 0.527 2161 T N -4.141 110.367 114.554 -0.078 0.000 2.916 2161 T HA 0.305 4.655 4.350 0.000 0.000 0.292 2161 T C 0.464 175.100 174.700 -0.106 0.000 1.055 2161 T CA -0.901 61.164 62.100 -0.058 0.000 1.009 2161 T CB 1.236 70.063 68.868 -0.068 0.000 1.118 2161 T HN -0.109 nan 8.240 nan 0.000 0.497 2162 F N -0.098 119.716 119.950 -0.227 0.000 2.473 2162 F HA 0.230 4.757 4.527 0.000 0.000 0.294 2162 F C 0.900 176.347 175.800 -0.589 0.000 1.103 2162 F CA 0.582 58.327 58.000 -0.425 0.000 1.442 2162 F CB 0.002 38.702 39.000 -0.500 0.000 1.097 2162 F HN 0.658 nan 8.300 nan 0.000 0.547 2163 Y N 0.783 121.046 120.300 -0.061 0.000 2.414 2163 Y HA 0.175 4.725 4.550 0.000 0.000 0.248 2163 Y C -0.464 175.262 175.900 -0.291 0.000 1.054 2163 Y CA 0.322 58.339 58.100 -0.139 0.000 1.156 2163 Y CB -2.032 36.430 38.460 0.004 0.000 1.051 2163 Y HN -0.232 nan 8.280 nan 0.000 0.485 2164 P HA -0.101 nan 4.420 nan 0.000 0.217 2164 P C 1.521 178.524 177.300 -0.496 0.000 1.150 2164 P CA 2.234 65.190 63.100 -0.240 0.000 0.832 2164 P CB -0.267 31.358 31.700 -0.125 0.000 0.787 2165 G N -0.084 108.322 108.800 -0.657 0.000 2.498 2165 G HA2 -0.209 3.752 3.960 0.000 0.000 0.219 2165 G HA3 -0.209 3.752 3.960 0.000 0.000 0.219 2165 G C 1.315 175.752 174.900 -0.772 0.000 1.119 2165 G CA 0.326 44.784 45.100 -1.069 0.000 0.766 2165 G HN 0.387 nan 8.290 nan 0.000 0.552 2166 Q N -0.606 118.722 119.800 -0.787 0.000 2.188 2166 Q HA 0.231 4.571 4.340 0.000 0.000 0.212 2166 Q C 0.026 175.660 176.000 -0.610 0.000 0.846 2166 Q CA -0.290 54.782 55.803 -1.220 0.000 0.989 2166 Q CB 0.488 28.398 28.738 -1.380 0.000 1.114 2166 Q HN 0.551 nan 8.270 nan 0.000 0.488 2167 E N 1.596 121.568 120.200 -0.379 0.000 2.269 2167 E HA -0.242 4.108 4.350 0.000 0.000 0.223 2167 E C -0.864 175.550 176.600 -0.309 0.000 1.244 2167 E CA 0.154 56.388 56.400 -0.277 0.000 0.713 2167 E CB -0.353 29.337 29.700 -0.016 0.000 1.178 2167 E HN 0.352 nan 8.360 nan 0.000 0.370 2168 R N -0.234 120.076 120.500 -0.317 0.000 2.357 2168 R HA 0.192 4.532 4.340 0.000 0.000 0.296 2168 R C 0.391 176.553 176.300 -0.229 0.000 1.052 2168 R CA -0.082 55.929 56.100 -0.149 0.000 0.988 2168 R CB 0.452 30.733 30.300 -0.030 0.000 1.025 2168 R HN 0.193 nan 8.270 nan 0.000 0.469 2169 Y N -0.360 119.973 120.300 0.056 0.000 2.462 2169 Y HA 0.088 4.638 4.550 -0.000 0.000 0.253 2169 Y C 0.128 176.056 175.900 0.047 0.000 1.095 2169 Y CA -0.154 57.973 58.100 0.046 0.000 1.283 2169 Y CB 0.610 39.087 38.460 0.028 0.000 1.138 2169 Y HN 0.492 nan 8.280 nan 0.000 0.522 2170 D N 1.508 122.022 120.400 0.190 0.000 2.600 2170 D HA 0.104 4.745 4.640 0.000 0.000 0.226 2170 D C 0.256 176.608 176.300 0.086 0.000 1.119 2170 D CA 0.346 54.425 54.000 0.132 0.000 1.051 2170 D CB -0.169 40.713 40.800 0.137 0.000 1.106 2170 D HN 0.225 nan 8.370 nan 0.000 0.491 2171 T N -2.962 111.614 114.554 0.037 0.000 2.864 2171 T HA 0.168 4.518 4.350 0.000 0.000 0.289 2171 T C 0.940 175.638 174.700 -0.002 0.000 1.082 2171 T CA -0.862 61.210 62.100 -0.046 0.000 1.009 2171 T CB 0.769 69.598 68.868 -0.065 0.000 1.234 2171 T HN 0.072 nan 8.240 nan 0.000 0.526 2172 Y N 1.745 121.975 120.300 -0.117 0.000 2.151 2172 Y HA -0.176 4.374 4.550 0.000 0.000 0.284 2172 Y C 2.580 178.459 175.900 -0.035 0.000 1.166 2172 Y CA 2.745 60.802 58.100 -0.073 0.000 1.163 2172 Y CB -0.503 37.906 38.460 -0.085 0.000 0.974 2172 Y HN 0.756 nan 8.280 nan 0.000 0.511 2173 S N -1.641 113.965 115.700 -0.157 0.000 2.492 2173 S HA 0.251 4.721 4.470 0.000 0.000 0.218 2173 S C 1.890 176.432 174.600 -0.096 0.000 1.016 2173 S CA 0.457 58.529 58.200 -0.213 0.000 0.916 2173 S CB -0.256 62.910 63.200 -0.055 0.000 0.791 2173 S HN 0.964 nan 8.310 nan 0.000 0.513 2174 G N 2.114 110.901 108.800 -0.021 0.000 2.175 2174 G HA2 -0.333 3.627 3.960 0.000 0.000 0.265 2174 G HA3 -0.333 3.627 3.960 0.000 0.000 0.265 2174 G C 0.081 175.077 174.900 0.161 0.000 0.979 2174 G CA 0.621 45.765 45.100 0.074 0.000 0.663 2174 G HN 0.871 nan 8.290 nan 0.000 0.533 2175 R N -1.131 119.423 120.500 0.090 0.000 2.758 2175 R HA 0.826 5.166 4.340 0.000 0.000 0.265 2175 R C -0.818 175.504 176.300 0.035 0.000 1.016 2175 R CA -1.045 55.129 56.100 0.124 0.000 1.040 2175 R CB 2.023 32.375 30.300 0.088 0.000 1.152 2175 R HN 0.146 nan 8.270 nan 0.000 0.503 2176 V N 1.622 121.573 119.914 0.061 0.000 2.588 2176 V HA 0.198 4.318 4.120 0.000 0.000 0.304 2176 V C -0.052 176.104 176.094 0.103 0.000 1.042 2176 V CA -1.087 61.207 62.300 -0.010 0.000 0.877 2176 V CB 1.997 33.708 31.823 -0.186 0.000 0.996 2176 V HN 0.625 nan 8.190 nan 0.000 0.425 2177 V N 6.046 126.042 119.914 0.137 0.000 2.814 2177 V HA 0.003 4.123 4.120 0.000 0.000 0.307 2177 V C 1.922 178.118 176.094 0.169 0.000 1.089 2177 V CA 0.910 63.310 62.300 0.166 0.000 1.212 2177 V CB 0.755 32.704 31.823 0.210 0.000 0.912 2177 V HN 0.987 nan 8.190 nan 0.000 0.497 2178 R N 3.534 124.108 120.500 0.123 0.000 2.159 2178 R HA -0.303 4.037 4.340 0.000 0.000 0.249 2178 R C 1.990 178.331 176.300 0.068 0.000 1.136 2178 R CA 2.903 59.056 56.100 0.088 0.000 0.951 2178 R CB -0.749 29.592 30.300 0.068 0.000 0.876 2178 R HN 1.016 nan 8.270 nan 0.000 0.440 2179 H N -0.991 118.055 119.070 -0.040 0.000 2.431 2179 H HA -0.167 4.389 4.556 -0.000 0.000 0.297 2179 H C 1.253 176.390 175.328 -0.319 0.000 1.115 2179 H CA 2.429 58.354 56.048 -0.205 0.000 1.277 2179 H CB -0.231 29.351 29.762 -0.300 0.000 1.372 2179 H HN 0.321 nan 8.280 nan 0.000 0.516 2180 F N -0.185 119.736 119.950 -0.049 0.000 2.695 2180 F HA 0.236 4.763 4.527 0.000 0.000 0.303 2180 F C 0.916 176.679 175.800 -0.061 0.000 1.091 2180 F CA -0.291 57.654 58.000 -0.093 0.000 1.300 2180 F CB 0.334 39.335 39.000 0.002 0.000 1.071 2180 F HN -0.171 nan 8.300 nan 0.000 0.578 2181 K N 0.793 121.258 120.400 0.108 0.000 2.436 2181 K HA 0.207 4.527 4.320 0.000 0.000 0.282 2181 K C 1.124 177.751 176.600 0.044 0.000 1.044 2181 K CA 0.934 57.293 56.287 0.120 0.000 1.028 2181 K CB 0.095 32.661 32.500 0.109 0.000 0.919 2181 K HN 0.394 nan 8.250 nan 0.000 0.474 2182 G N 1.904 110.749 108.800 0.075 0.000 2.179 2182 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 2182 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 2182 G C 0.920 175.758 174.900 -0.103 0.000 0.977 2182 G CA 0.793 45.889 45.100 -0.007 0.000 0.641 2182 G HN 0.696 nan 8.290 nan 0.000 0.533 2183 S N -0.459 115.179 115.700 -0.103 0.000 2.368 2183 S HA 0.014 4.484 4.470 0.000 0.000 0.224 2183 S C 2.298 176.704 174.600 -0.324 0.000 1.029 2183 S CA 1.713 59.730 58.200 -0.306 0.000 0.988 2183 S CB -0.321 62.851 63.200 -0.047 0.000 0.838 2183 S HN 0.662 nan 8.310 nan 0.000 0.462 2184 M N 1.638 121.281 119.600 0.070 0.000 2.082 2184 M HA -0.187 4.293 4.480 0.000 0.000 0.258 2184 M C 2.424 178.749 176.300 0.041 0.000 1.069 2184 M CA 2.370 57.796 55.300 0.211 0.000 1.102 2184 M CB -0.352 32.423 32.600 0.293 0.000 1.336 2184 M HN 0.591 nan 8.290 nan 0.000 0.404 2185 E N -0.197 119.995 120.200 -0.012 0.000 2.153 2185 E HA -0.236 4.114 4.350 0.000 0.000 0.194 2185 E C 1.813 178.359 176.600 -0.090 0.000 0.988 2185 E CA 1.323 57.705 56.400 -0.031 0.000 0.811 2185 E CB -0.040 29.643 29.700 -0.027 0.000 0.746 2185 E HN 0.541 nan 8.360 nan 0.000 0.466 2186 E N -0.160 119.899 120.200 -0.236 0.000 2.047 2186 E HA -0.174 4.176 4.350 0.000 0.000 0.191 2186 E C 1.806 178.312 176.600 -0.157 0.000 0.987 2186 E CA 1.268 57.487 56.400 -0.301 0.000 0.799 2186 E CB -0.275 29.089 29.700 -0.560 0.000 0.752 2186 E HN 0.517 nan 8.360 nan 0.000 0.449 2187 W N 1.674 122.967 121.300 -0.013 0.000 2.363 2187 W HA -0.191 4.469 4.660 0.000 0.000 0.296 2187 W C 2.526 179.006 176.519 -0.064 0.000 1.212 2187 W CA 0.546 57.861 57.345 -0.050 0.000 1.260 2187 W CB -0.198 29.197 29.460 -0.109 0.000 1.131 2187 W HN 0.149 nan 8.180 nan 0.000 0.530 2188 Q N 0.616 120.495 119.800 0.133 0.000 2.084 2188 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 2188 Q C 2.429 178.465 176.000 0.059 0.000 0.978 2188 Q CA 1.486 57.330 55.803 0.068 0.000 0.844 2188 Q CB -0.925 27.835 28.738 0.038 0.000 0.898 2188 Q HN 0.296 nan 8.270 nan 0.000 0.426 2189 A N 1.264 124.109 122.820 0.041 0.000 2.024 2189 A HA -0.107 4.213 4.320 0.000 0.000 0.220 2189 A C 1.943 179.555 177.584 0.048 0.000 1.164 2189 A CA 1.282 53.336 52.037 0.028 0.000 0.643 2189 A CB -0.450 18.550 19.000 0.001 0.000 0.806 2189 A HN 0.339 nan 8.150 nan 0.000 0.451 2190 M N -1.207 118.444 119.600 0.084 0.000 2.563 2190 M HA 0.199 4.679 4.480 0.000 0.000 0.231 2190 M C 1.277 177.626 176.300 0.082 0.000 1.136 2190 M CA 0.699 56.059 55.300 0.100 0.000 1.026 2190 M CB 0.268 32.974 32.600 0.177 0.000 1.597 2190 M HN 0.591 nan 8.290 nan 0.000 0.495 2191 G N 0.516 109.357 108.800 0.069 0.000 2.159 2191 G HA2 -0.214 3.746 3.960 0.000 0.000 0.256 2191 G HA3 -0.214 3.746 3.960 0.000 0.000 0.256 2191 G C 0.112 175.034 174.900 0.036 0.000 0.977 2191 G CA -0.111 45.022 45.100 0.054 0.000 0.652 2191 G HN 0.328 nan 8.290 nan 0.000 0.531 2192 V N 1.526 121.460 119.914 0.034 0.000 2.673 2192 V HA 0.222 4.342 4.120 0.000 0.000 0.303 2192 V C 1.816 177.865 176.094 -0.075 0.000 1.046 2192 V CA 1.153 63.431 62.300 -0.036 0.000 1.126 2192 V CB 1.276 33.059 31.823 -0.067 0.000 0.934 2192 V HN 0.389 nan 8.190 nan 0.000 0.487 2193 M N 3.052 122.591 119.600 -0.101 0.000 2.357 2193 M HA 0.127 4.607 4.480 0.000 0.000 0.266 2193 M C 0.572 176.776 176.300 -0.161 0.000 1.095 2193 M CA 0.913 56.141 55.300 -0.121 0.000 1.156 2193 M CB 0.047 32.594 32.600 -0.089 0.000 1.365 2193 M HN 0.956 nan 8.290 nan 0.000 0.447 2194 N N -1.733 116.851 118.700 -0.193 0.000 3.185 2194 N HA 0.164 4.904 4.740 0.000 0.000 0.238 2194 N C -1.990 173.372 175.510 -0.246 0.000 1.451 2194 N CA -0.667 52.272 53.050 -0.185 0.000 0.888 2194 N CB 1.121 39.556 38.487 -0.087 0.000 1.413 2194 N HN -0.119 nan 8.380 nan 0.000 0.511 2195 Y N -0.237 120.012 120.300 -0.085 0.000 2.377 2195 Y HA 0.513 5.063 4.550 -0.000 0.000 0.339 2195 Y C 0.268 176.112 175.900 -0.094 0.000 1.011 2195 Y CA -0.152 57.882 58.100 -0.110 0.000 1.093 2195 Y CB 1.588 39.962 38.460 -0.142 0.000 1.201 2195 Y HN 0.813 nan 8.280 nan 0.000 0.455 2196 E N -0.025 120.236 120.200 0.102 0.000 2.408 2196 E HA 0.501 4.851 4.350 0.000 0.000 0.266 2196 E C -1.000 175.620 176.600 0.034 0.000 1.025 2196 E CA -0.695 55.736 56.400 0.052 0.000 0.881 2196 E CB 1.100 30.821 29.700 0.035 0.000 1.660 2196 E HN 0.446 nan 8.360 nan 0.000 0.458 2197 M N -0.635 118.982 119.600 0.028 0.000 2.300 2197 M HA 0.328 4.808 4.480 0.000 0.000 0.313 2197 M C 0.093 176.402 176.300 0.014 0.000 0.988 2197 M CA 0.267 55.578 55.300 0.018 0.000 1.012 2197 M CB 0.638 33.255 32.600 0.028 0.000 1.586 2197 M HN 0.509 nan 8.290 nan 0.000 0.562 2198 E N -0.487 119.720 120.200 0.012 0.000 2.474 2198 E HA 0.061 4.411 4.350 0.000 0.000 0.215 2198 E C 1.868 178.464 176.600 -0.006 0.000 0.867 2198 E CA 0.611 57.014 56.400 0.005 0.000 1.135 2198 E CB 0.360 30.066 29.700 0.010 0.000 1.147 2198 E HN 0.313 nan 8.360 nan 0.000 0.534 2199 S N 0.903 116.601 115.700 -0.004 0.000 2.382 2199 S HA -0.138 4.332 4.470 0.000 0.000 0.228 2199 S C 2.228 176.820 174.600 -0.012 0.000 1.027 2199 S CA 1.000 59.195 58.200 -0.009 0.000 0.991 2199 S CB -0.331 62.864 63.200 -0.007 0.000 0.823 2199 S HN 0.233 nan 8.310 nan 0.000 0.469 2200 A N 1.907 124.723 122.820 -0.006 0.000 1.883 2200 A HA -0.055 4.265 4.320 0.000 0.000 0.217 2200 A C 2.464 180.050 177.584 0.005 0.000 1.186 2200 A CA 2.211 54.252 52.037 0.007 0.000 0.624 2200 A CB -1.739 17.271 19.000 0.016 0.000 0.822 2200 A HN 0.574 nan 8.150 nan 0.000 0.444 2201 T N 0.053 114.603 114.554 -0.006 0.000 2.674 2201 T HA -0.142 4.208 4.350 0.000 0.000 0.265 2201 T C 1.880 176.510 174.700 -0.117 0.000 1.039 2201 T CA 1.545 63.627 62.100 -0.029 0.000 1.150 2201 T CB -0.477 68.381 68.868 -0.016 0.000 0.864 2201 T HN 0.326 nan 8.240 nan 0.000 0.427 2202 L N 1.041 122.198 121.223 -0.109 0.000 1.990 2202 L HA -0.048 4.292 4.340 0.000 0.000 0.213 2202 L C 2.221 178.999 176.870 -0.154 0.000 1.072 2202 L CA 1.717 56.459 54.840 -0.163 0.000 0.755 2202 L CB -0.720 41.280 42.059 -0.099 0.000 0.889 2202 L HN 0.261 nan 8.230 nan 0.000 0.432 2203 L N -1.483 119.698 121.223 -0.070 0.000 2.056 2203 L HA -0.180 4.160 4.340 0.000 0.000 0.207 2203 L C 2.342 179.208 176.870 -0.005 0.000 1.078 2203 L CA 1.669 56.495 54.840 -0.022 0.000 0.749 2203 L CB -1.143 40.926 42.059 0.015 0.000 0.901 2203 L HN 0.300 nan 8.230 nan 0.000 0.433 2204 T N 0.610 115.158 114.554 -0.010 0.000 2.737 2204 T HA -0.192 4.159 4.350 0.000 0.000 0.265 2204 T C 1.868 176.474 174.700 -0.157 0.000 1.038 2204 T CA 1.840 63.951 62.100 0.019 0.000 1.144 2204 T CB -0.220 68.684 68.868 0.059 0.000 0.866 2204 T HN 0.436 nan 8.240 nan 0.000 0.434 2205 M N 0.205 119.586 119.600 -0.364 0.000 2.229 2205 M HA 0.003 4.483 4.480 0.000 0.000 0.264 2205 M C 2.233 178.266 176.300 -0.445 0.000 1.063 2205 M CA 1.432 56.286 55.300 -0.743 0.000 1.114 2205 M CB -1.080 30.633 32.600 -1.478 0.000 1.387 2205 M HN 0.174 nan 8.290 nan 0.000 0.420 2206 C N 1.404 120.528 119.300 -0.294 0.000 2.518 2206 C HA 0.178 4.638 4.460 0.000 0.000 0.279 2206 C C 3.309 178.276 174.990 -0.039 0.000 1.279 2206 C CA 0.944 59.865 59.018 -0.162 0.000 1.703 2206 C CB -1.165 26.505 27.740 -0.116 0.000 2.072 2206 C HN 0.758 nan 8.230 nan 0.000 0.487 2207 A N 1.237 124.075 122.820 0.031 0.000 1.978 2207 A HA -0.170 4.150 4.320 0.000 0.000 0.220 2207 A C 2.161 179.853 177.584 0.180 0.000 1.170 2207 A CA 2.337 54.468 52.037 0.158 0.000 0.636 2207 A CB -0.691 18.482 19.000 0.287 0.000 0.810 2207 A HN 0.734 nan 8.150 nan 0.000 0.448 2208 S N -1.794 113.906 115.700 0.000 0.000 2.575 2208 S HA 0.140 4.610 4.470 0.000 0.000 0.215 2208 S C 0.957 175.523 174.600 -0.057 0.000 0.966 2208 S CA 0.370 58.485 58.200 -0.142 0.000 0.911 2208 S CB 0.032 62.926 63.200 -0.511 0.000 0.780 2208 S HN 0.660 nan 8.310 nan 0.000 0.514 2209 Q N 0.249 120.032 119.800 -0.028 0.000 2.112 2209 Q HA 0.366 4.706 4.340 0.000 0.000 0.222 2209 Q C 0.741 176.757 176.000 0.027 0.000 0.798 2209 Q CA 0.040 55.840 55.803 -0.004 0.000 1.060 2209 Q CB 1.007 29.729 28.738 -0.028 0.000 1.184 2209 Q HN 0.616 nan 8.270 nan 0.000 0.475 2210 G N 1.386 110.214 108.800 0.046 0.000 2.153 2210 G HA2 -0.278 3.682 3.960 0.000 0.000 0.252 2210 G HA3 -0.278 3.682 3.960 0.000 0.000 0.252 2210 G C -0.063 174.879 174.900 0.071 0.000 0.994 2210 G CA 0.158 45.294 45.100 0.060 0.000 0.698 2210 G HN 0.274 nan 8.290 nan 0.000 0.521 2211 L N -0.112 121.155 121.223 0.074 0.000 2.322 2211 L HA 0.596 4.937 4.340 0.000 0.000 0.279 2211 L C 1.023 177.971 176.870 0.131 0.000 1.036 2211 L CA -1.060 53.856 54.840 0.128 0.000 0.807 2211 L CB 1.265 43.422 42.059 0.164 0.000 1.226 2211 L HN 0.050 nan 8.230 nan 0.000 0.433 2212 R N 2.020 122.611 120.500 0.152 0.000 2.308 2212 R HA 0.711 5.051 4.340 0.000 0.000 0.305 2212 R C -0.590 175.812 176.300 0.170 0.000 1.053 2212 R CA -0.387 55.789 56.100 0.126 0.000 0.957 2212 R CB 1.402 31.754 30.300 0.087 0.000 1.022 2212 R HN 0.720 nan 8.270 nan 0.000 0.461 2213 A N 1.548 124.441 122.820 0.123 0.000 2.449 2213 A HA 0.805 5.125 4.320 0.000 0.000 0.302 2213 A C -0.663 176.965 177.584 0.074 0.000 1.048 2213 A CA -0.621 51.489 52.037 0.122 0.000 0.708 2213 A CB 2.171 21.214 19.000 0.072 0.000 1.274 2213 A HN 0.763 nan 8.150 nan 0.000 0.410 2214 G N -0.369 108.471 108.800 0.066 0.000 2.680 2214 G HA2 0.706 4.666 3.960 0.000 0.000 0.290 2214 G HA3 0.706 4.666 3.960 0.000 0.000 0.290 2214 G C -1.255 173.664 174.900 0.032 0.000 1.355 2214 G CA -0.560 44.560 45.100 0.034 0.000 0.903 2214 G HN 1.241 nan 8.290 nan 0.000 0.474 2215 M N 1.213 120.823 119.600 0.017 0.000 2.238 2215 M HA 0.689 5.169 4.480 0.000 0.000 0.278 2215 M C -1.957 174.349 176.300 0.009 0.000 1.040 2215 M CA -0.778 54.532 55.300 0.016 0.000 0.969 2215 M CB 1.852 34.460 32.600 0.012 0.000 1.694 2215 M HN 0.846 nan 8.290 nan 0.000 0.472 2216 V N 3.996 123.917 119.914 0.012 0.000 2.888 2216 V HA 1.045 5.165 4.120 0.000 0.000 0.309 2216 V C -1.808 174.295 176.094 0.016 0.000 1.114 2216 V CA 0.225 62.531 62.300 0.010 0.000 0.940 2216 V CB 2.030 33.856 31.823 0.004 0.000 1.021 2216 V HN 1.281 nan 8.190 nan 0.000 0.426 2217 A N 3.750 126.582 122.820 0.019 0.000 2.549 2217 A HA 0.908 5.228 4.320 0.000 0.000 0.297 2217 A C -0.222 177.380 177.584 0.030 0.000 1.061 2217 A CA -0.138 51.913 52.037 0.023 0.000 0.690 2217 A CB 1.858 20.871 19.000 0.021 0.000 1.287 2217 A HN 1.667 nan 8.150 nan 0.000 0.402 2218 G N 0.178 108.998 108.800 0.032 0.000 2.356 2218 G HA2 0.517 4.478 3.960 0.000 0.000 0.298 2218 G HA3 0.517 4.478 3.960 0.000 0.000 0.298 2218 G C -0.415 174.505 174.900 0.033 0.000 1.145 2218 G CA -0.327 44.796 45.100 0.039 0.000 0.850 2218 G HN 0.905 nan 8.290 nan 0.000 0.487 2219 V N 3.532 123.468 119.914 0.036 0.000 2.470 2219 V HA 0.091 4.211 4.120 0.000 0.000 0.276 2219 V C 1.285 177.392 176.094 0.023 0.000 1.040 2219 V CA 0.157 62.472 62.300 0.025 0.000 1.008 2219 V CB 0.683 32.518 31.823 0.020 0.000 0.990 2219 V HN 0.770 nan 8.190 nan 0.000 0.477 2220 I N 3.417 124.002 120.570 0.025 0.000 4.057 2220 I HA 0.531 4.701 4.170 0.000 0.000 0.334 2220 I C 0.231 176.364 176.117 0.027 0.000 1.308 2220 I CA 0.320 61.636 61.300 0.026 0.000 1.125 2220 I CB 0.966 38.984 38.000 0.031 0.000 1.034 2220 I HN 0.408 nan 8.210 nan 0.000 0.401 2221 V N 1.137 121.066 119.914 0.024 0.000 3.147 2221 V HA 0.442 4.562 4.120 0.000 0.000 0.299 2221 V C -1.826 174.273 176.094 0.008 0.000 1.302 2221 V CA -0.627 61.685 62.300 0.021 0.000 1.015 2221 V CB 2.377 34.220 31.823 0.033 0.000 1.086 2221 V HN 0.353 nan 8.190 nan 0.000 0.437 2222 N N 4.417 123.120 118.700 0.005 0.000 2.446 2222 N HA 0.392 5.132 4.740 0.000 0.000 0.265 2222 N C 0.509 176.023 175.510 0.008 0.000 0.975 2222 N CA -0.570 52.477 53.050 -0.006 0.000 0.928 2222 N CB 1.726 40.203 38.487 -0.018 0.000 1.160 2222 N HN 0.594 nan 8.380 nan 0.000 0.495 2223 R N 1.042 121.550 120.500 0.014 0.000 2.316 2223 R HA -0.025 4.316 4.340 0.000 0.000 0.202 2223 R C 1.321 177.645 176.300 0.040 0.000 1.029 2223 R CA 0.749 56.872 56.100 0.038 0.000 1.018 2223 R CB -0.671 29.675 30.300 0.078 0.000 0.888 2223 R HN 0.694 nan 8.270 nan 0.000 0.471 2224 T N -3.189 111.379 114.554 0.023 0.000 3.148 2224 T HA 0.027 4.377 4.350 0.000 0.000 0.253 2224 T C 1.501 176.215 174.700 0.023 0.000 1.134 2224 T CA 0.589 62.703 62.100 0.024 0.000 1.051 2224 T CB 0.247 69.123 68.868 0.013 0.000 0.959 2224 T HN 0.212 nan 8.240 nan 0.000 0.525 2225 Q N -0.407 119.407 119.800 0.023 0.000 2.477 2225 Q HA 0.387 4.727 4.340 0.000 0.000 0.252 2225 Q C 0.402 176.420 176.000 0.030 0.000 0.869 2225 Q CA 0.113 55.930 55.803 0.023 0.000 0.969 2225 Q CB 0.890 29.639 28.738 0.018 0.000 1.144 2225 Q HN 0.479 nan 8.270 nan 0.000 0.577 2226 Q N -1.104 118.716 119.800 0.034 0.000 2.527 2226 Q HA 0.162 4.502 4.340 0.000 0.000 0.280 2226 Q C -0.709 175.317 176.000 0.043 0.000 0.977 2226 Q CA -0.146 55.681 55.803 0.041 0.000 0.837 2226 Q CB 1.874 30.634 28.738 0.037 0.000 1.454 2226 Q HN 0.022 nan 8.270 nan 0.000 0.387 2227 E N 0.651 120.884 120.200 0.055 0.000 2.127 2227 E HA 0.114 4.464 4.350 0.000 0.000 0.191 2227 E C 0.114 176.750 176.600 0.059 0.000 0.964 2227 E CA 0.500 56.927 56.400 0.045 0.000 0.832 2227 E CB 0.688 30.435 29.700 0.079 0.000 0.790 2227 E HN 0.309 nan 8.360 nan 0.000 0.465 2228 I N 2.545 123.171 120.570 0.094 0.000 2.354 2228 I HA 0.269 4.439 4.170 0.000 0.000 0.292 2228 I C -2.343 173.829 176.117 0.091 0.000 0.989 2228 I CA -3.262 58.113 61.300 0.126 0.000 1.188 2228 I CB 0.721 38.804 38.000 0.139 0.000 1.342 2228 I HN -0.219 nan 8.210 nan 0.000 0.457 2229 P HA 0.101 nan 4.420 nan 0.000 0.267 2229 P C -0.011 177.318 177.300 0.049 0.000 1.200 2229 P CA -0.118 63.022 63.100 0.066 0.000 0.772 2229 P CB 0.555 32.298 31.700 0.073 0.000 0.855 2240 H N 2.113 121.175 119.070 -0.013 0.000 2.357 2240 H HA 0.346 4.903 4.556 0.000 0.000 0.301 2240 H C 2.281 177.601 175.328 -0.015 0.000 1.082 2240 H CA 1.832 57.872 56.048 -0.014 0.000 1.342 2240 H CB -0.590 29.166 29.762 -0.011 0.000 1.389 2240 H HN 0.492 nan 8.280 nan 0.000 0.511 2241 A N 0.128 123.020 122.820 0.119 0.000 1.933 2241 A HA -0.115 4.205 4.320 0.000 0.000 0.218 2241 A C 2.755 180.356 177.584 0.027 0.000 1.175 2241 A CA 1.633 53.700 52.037 0.050 0.000 0.628 2241 A CB -0.797 18.228 19.000 0.041 0.000 0.814 2241 A HN 0.246 nan 8.150 nan 0.000 0.444 2242 V N -0.215 119.716 119.914 0.028 0.000 2.307 2242 V HA -0.258 3.862 4.120 0.000 0.000 0.245 2242 V C 2.468 178.566 176.094 0.006 0.000 1.045 2242 V CA 2.393 64.698 62.300 0.009 0.000 1.024 2242 V CB -0.670 31.152 31.823 -0.003 0.000 0.651 2242 V HN 0.532 nan 8.190 nan 0.000 0.449 2243 K N -0.147 120.266 120.400 0.021 0.000 2.063 2243 K HA -0.146 4.174 4.320 0.000 0.000 0.208 2243 K C 1.933 178.527 176.600 -0.011 0.000 1.048 2243 K CA 1.704 57.997 56.287 0.010 0.000 0.928 2243 K CB -0.343 32.176 32.500 0.032 0.000 0.713 2243 K HN 0.405 nan 8.250 nan 0.000 0.442 2244 I N -0.492 120.069 120.570 -0.015 0.000 2.202 2244 I HA -0.254 3.916 4.170 0.000 0.000 0.242 2244 I C 2.157 178.260 176.117 -0.024 0.000 1.091 2244 I CA 0.813 62.094 61.300 -0.032 0.000 1.368 2244 I CB -0.194 37.782 38.000 -0.039 0.000 1.058 2244 I HN 0.007 nan 8.210 nan 0.000 0.410 2245 V N 0.389 120.295 119.914 -0.013 0.000 2.407 2245 V HA -0.213 3.907 4.120 0.000 0.000 0.248 2245 V C 2.352 178.437 176.094 -0.014 0.000 1.055 2245 V CA 1.681 63.974 62.300 -0.011 0.000 1.049 2245 V CB 0.109 31.931 31.823 -0.001 0.000 0.662 2245 V HN 0.220 nan 8.190 nan 0.000 0.455 2246 V N 0.015 119.920 119.914 -0.014 0.000 2.358 2246 V HA -0.182 3.938 4.120 0.000 0.000 0.246 2246 V C 2.500 178.583 176.094 -0.019 0.000 1.047 2246 V CA 2.172 64.462 62.300 -0.016 0.000 1.035 2246 V CB -0.615 31.200 31.823 -0.015 0.000 0.658 2246 V HN 0.676 nan 8.190 nan 0.000 0.452 2247 E N 0.961 121.148 120.200 -0.022 0.000 2.106 2247 E HA -0.130 4.220 4.350 0.000 0.000 0.192 2247 E C 2.070 178.653 176.600 -0.030 0.000 0.984 2247 E CA 1.555 57.939 56.400 -0.026 0.000 0.806 2247 E CB -0.412 29.269 29.700 -0.031 0.000 0.750 2247 E HN 0.492 nan 8.360 nan 0.000 0.458 2248 A N 0.983 123.784 122.820 -0.031 0.000 1.902 2248 A HA -0.011 4.309 4.320 0.000 0.000 0.217 2248 A C 2.489 180.055 177.584 -0.031 0.000 1.181 2248 A CA 2.022 54.038 52.037 -0.035 0.000 0.623 2248 A CB -1.137 17.842 19.000 -0.035 0.000 0.818 2248 A HN 0.394 nan 8.150 nan 0.000 0.443 2249 A N -0.237 122.568 122.820 -0.026 0.000 1.917 2249 A HA -0.256 4.064 4.320 0.000 0.000 0.219 2249 A C 2.218 179.787 177.584 -0.026 0.000 1.182 2249 A CA 2.094 54.115 52.037 -0.026 0.000 0.633 2249 A CB -0.554 18.432 19.000 -0.023 0.000 0.819 2249 A HN 0.545 nan 8.150 nan 0.000 0.448 2250 R N -0.663 119.823 120.500 -0.023 0.000 2.103 2250 R HA -0.156 4.184 4.340 0.000 0.000 0.242 2250 R C 2.287 178.574 176.300 -0.022 0.000 1.142 2250 R CA 2.014 58.102 56.100 -0.021 0.000 0.960 2250 R CB -0.196 30.093 30.300 -0.019 0.000 0.858 2250 R HN 0.535 nan 8.270 nan 0.000 0.439 2251 R N -0.450 120.034 120.500 -0.026 0.000 2.236 2251 R HA 0.030 4.370 4.340 0.000 0.000 0.208 2251 R C 1.449 177.733 176.300 -0.027 0.000 1.036 2251 R CA 0.642 56.725 56.100 -0.028 0.000 1.001 2251 R CB 0.152 30.431 30.300 -0.036 0.000 0.896 2251 R HN 0.238 nan 8.270 nan 0.000 0.464 2252 L N 0.298 121.504 121.223 -0.028 0.000 2.607 2252 L HA 0.199 4.539 4.340 0.000 0.000 0.228 2252 L C 0.452 177.308 176.870 -0.023 0.000 1.123 2252 L CA -0.206 54.618 54.840 -0.025 0.000 0.890 2252 L CB 0.117 42.159 42.059 -0.028 0.000 1.103 2252 L HN 0.077 nan 8.230 nan 0.000 0.468 2253 L N 0.000 121.210 121.223 -0.022 0.000 2.949 2253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2253 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 2253 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502