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_h DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNXXX XXXXXSHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.591 174.600 -0.014 0.000 1.055 2004 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 2004 S CB 0.000 63.158 63.200 -0.070 0.000 0.593 2005 D N 1.512 121.910 120.400 -0.003 0.000 2.346 2005 D HA 0.153 4.793 4.640 -0.000 0.000 0.206 2005 D C 0.968 177.283 176.300 0.025 0.000 1.001 2005 D CA 1.281 55.288 54.000 0.011 0.000 0.871 2005 D CB 0.581 41.389 40.800 0.013 0.000 0.943 2005 D HN 0.578 nan 8.370 nan 0.000 0.518 2006 V N -2.185 117.740 119.914 0.017 0.000 2.864 2006 V HA 0.387 4.507 4.120 -0.000 0.000 0.314 2006 V C 0.798 176.913 176.094 0.035 0.000 1.073 2006 V CA -1.037 61.290 62.300 0.045 0.000 0.956 2006 V CB 1.750 33.595 31.823 0.037 0.000 1.023 2006 V HN -0.102 nan 8.190 nan 0.000 0.435 2007 F N 0.817 120.720 119.950 -0.078 0.000 2.325 2007 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 2007 F C 1.831 177.434 175.800 -0.328 0.000 1.090 2007 F CA 2.108 59.986 58.000 -0.204 0.000 1.392 2007 F CB 0.197 39.051 39.000 -0.243 0.000 1.053 2007 F HN 0.826 nan 8.300 nan 0.000 0.521 2008 H N -1.232 117.751 119.070 -0.145 0.000 2.481 2008 H HA 0.229 4.785 4.556 -0.000 0.000 0.291 2008 H C 1.915 177.154 175.328 -0.148 0.000 1.009 2008 H CA 0.876 56.813 56.048 -0.186 0.000 1.282 2008 H CB -0.062 29.636 29.762 -0.106 0.000 1.457 2008 H HN 0.098 nan 8.280 nan 0.000 0.525 2009 L N -0.105 121.094 121.223 -0.041 0.000 2.395 2009 L HA 0.147 4.487 4.340 -0.000 0.000 0.218 2009 L C 0.995 177.929 176.870 0.106 0.000 1.130 2009 L CA 0.576 55.429 54.840 0.021 0.000 0.826 2009 L CB -0.283 41.752 42.059 -0.040 0.000 0.941 2009 L HN 0.493 nan 8.230 nan 0.000 0.451 2010 G N 1.508 110.276 108.800 -0.053 0.000 2.338 2010 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.296 2010 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.296 2010 G C -0.234 174.694 174.900 0.045 0.000 1.040 2010 G CA 0.160 45.221 45.100 -0.066 0.000 1.004 2010 G HN 0.260 nan 8.290 nan 0.000 0.509 2011 L N -0.438 120.796 121.223 0.018 0.000 2.333 2011 L HA 0.883 5.223 4.340 -0.000 0.000 0.263 2011 L C 0.660 177.535 176.870 0.008 0.000 1.014 2011 L CA -0.675 54.178 54.840 0.022 0.000 0.820 2011 L CB 2.460 44.536 42.059 0.029 0.000 1.352 2011 L HN 0.364 nan 8.230 nan 0.000 0.421 2012 T N -3.768 110.790 114.554 0.006 0.000 2.932 2012 T HA 0.332 4.682 4.350 -0.000 0.000 0.289 2012 T C 0.661 175.364 174.700 0.005 0.000 1.039 2012 T CA -0.888 61.214 62.100 0.004 0.000 1.024 2012 T CB 2.185 71.053 68.868 0.001 0.000 1.090 2012 T HN 0.480 nan 8.240 nan 0.000 0.496 2013 K N 0.685 121.089 120.400 0.006 0.000 2.127 2013 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 2013 K C 1.910 178.511 176.600 0.001 0.000 1.047 2013 K CA 1.515 57.805 56.287 0.005 0.000 0.927 2013 K CB -0.393 32.111 32.500 0.006 0.000 0.716 2013 K HN 0.680 nan 8.250 nan 0.000 0.450 2014 N N 0.944 119.644 118.700 -0.000 0.000 2.188 2014 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 2014 N C 1.106 176.612 175.510 -0.006 0.000 1.018 2014 N CA 1.067 54.115 53.050 -0.003 0.000 0.858 2014 N CB 0.016 38.501 38.487 -0.004 0.000 0.989 2014 N HN 0.180 nan 8.380 nan 0.000 0.426 2015 D N 0.800 121.197 120.400 -0.006 0.000 2.182 2015 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 2015 D C 1.847 178.143 176.300 -0.007 0.000 0.986 2015 D CA 0.643 54.637 54.000 -0.009 0.000 0.847 2015 D CB -0.038 40.757 40.800 -0.007 0.000 0.942 2015 D HN 0.250 nan 8.370 nan 0.000 0.467 2016 L N 0.078 121.299 121.223 -0.003 0.000 2.313 2016 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 2016 L C 0.897 177.763 176.870 -0.006 0.000 1.119 2016 L CA 0.699 55.537 54.840 -0.003 0.000 0.809 2016 L CB -0.306 41.750 42.059 -0.005 0.000 0.933 2016 L HN 0.004 nan 8.230 nan 0.000 0.449 2017 Q N -0.507 119.289 119.800 -0.006 0.000 2.453 2017 Q HA -0.282 4.058 4.340 -0.000 0.000 0.294 2017 Q C 1.059 177.054 176.000 -0.007 0.000 1.295 2017 Q CA 0.363 56.162 55.803 -0.006 0.000 0.853 2017 Q CB -1.586 27.149 28.738 -0.005 0.000 1.193 2017 Q HN 0.648 nan 8.270 nan 0.000 0.461 2018 G N -2.324 106.471 108.800 -0.009 0.000 2.176 2018 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 2018 G HA3 -0.273 3.687 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 0.069 45.162 45.100 -0.012 0.000 0.641 2018 G HN 1.202 nan 8.290 nan 0.000 0.530 2019 A N 0.477 123.284 122.820 -0.022 0.000 2.565 2019 A HA 0.538 4.858 4.320 -0.000 0.000 0.237 2019 A C 1.486 179.037 177.584 -0.055 0.000 1.053 2019 A CA 2.018 54.034 52.037 -0.035 0.000 0.755 2019 A CB 0.155 19.136 19.000 -0.031 0.000 0.980 2019 A HN 1.728 nan 8.150 nan 0.000 0.506 2020 T N 0.157 114.668 114.554 -0.072 0.000 3.058 2020 T HA 0.418 4.768 4.350 -0.000 0.000 0.278 2020 T C 0.031 174.629 174.700 -0.171 0.000 0.974 2020 T CA 0.060 62.098 62.100 -0.103 0.000 0.893 2020 T CB -0.472 68.355 68.868 -0.069 0.000 1.138 2020 T HN 0.585 nan 8.240 nan 0.000 0.529 2021 L N 1.635 122.762 121.223 -0.160 0.000 2.386 2021 L HA 0.882 5.222 4.340 -0.000 0.000 0.271 2021 L C -1.384 175.370 176.870 -0.193 0.000 0.993 2021 L CA -0.975 53.746 54.840 -0.198 0.000 0.819 2021 L CB 1.881 43.871 42.059 -0.116 0.000 1.294 2021 L HN 0.206 nan 8.230 nan 0.000 0.414 2022 A N 5.663 128.322 122.820 -0.267 0.000 2.356 2022 A HA 0.685 5.005 4.320 -0.000 0.000 0.310 2022 A C -0.928 176.631 177.584 -0.042 0.000 1.075 2022 A CA -0.533 51.420 52.037 -0.141 0.000 0.746 2022 A CB 1.000 19.910 19.000 -0.151 0.000 1.221 2022 A HN 0.677 nan 8.150 nan 0.000 0.443 2023 I N 2.625 123.200 120.570 0.007 0.000 2.352 2023 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 2023 I C -0.008 176.153 176.117 0.074 0.000 1.036 2023 I CA -0.383 60.939 61.300 0.037 0.000 1.336 2023 I CB 1.606 39.618 38.000 0.020 0.000 1.407 2023 I HN 0.457 nan 8.210 nan 0.000 0.497 2024 V N 6.090 126.065 119.914 0.101 0.000 2.250 2024 V HA 0.496 4.616 4.120 -0.000 0.000 0.268 2024 V C -2.436 173.708 176.094 0.083 0.000 1.043 2024 V CA -1.906 60.466 62.300 0.120 0.000 0.814 2024 V CB 0.194 32.125 31.823 0.180 0.000 1.072 2024 V HN 0.461 nan 8.190 nan 0.000 0.451 2025 P HA 0.303 nan 4.420 nan 0.000 0.274 2025 P C 0.921 178.248 177.300 0.046 0.000 1.256 2025 P CA 0.310 63.434 63.100 0.041 0.000 0.795 2025 P CB 1.687 33.399 31.700 0.020 0.000 1.038 2026 G N -0.605 108.211 108.800 0.028 0.000 2.459 2026 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.213 2026 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.213 2026 G C 0.204 175.106 174.900 0.004 0.000 1.155 2026 G CA 0.377 45.490 45.100 0.021 0.000 0.811 2026 G HN 0.524 nan 8.290 nan 0.000 0.534 2027 D N 0.420 120.817 120.400 -0.005 0.000 2.280 2027 D HA 0.294 4.934 4.640 -0.000 0.000 0.243 2027 D C -1.237 175.056 176.300 -0.012 0.000 1.129 2027 D CA -2.530 51.458 54.000 -0.020 0.000 0.848 2027 D CB 2.090 42.874 40.800 -0.027 0.000 1.107 2027 D HN -0.063 nan 8.370 nan 0.000 0.471 2028 P HA -0.136 nan 4.420 nan 0.000 0.216 2028 P C 0.526 177.827 177.300 0.002 0.000 1.150 2028 P CA 1.030 64.137 63.100 0.011 0.000 0.843 2028 P CB 0.309 32.008 31.700 -0.000 0.000 0.787 2029 D N -0.779 119.610 120.400 -0.018 0.000 2.348 2029 D HA -0.120 4.520 4.640 -0.000 0.000 0.216 2029 D C 1.901 178.164 176.300 -0.063 0.000 0.970 2029 D CA 0.688 54.669 54.000 -0.031 0.000 0.889 2029 D CB -0.187 40.594 40.800 -0.030 0.000 0.912 2029 D HN 0.367 nan 8.370 nan 0.000 0.524 2030 R N 0.392 120.856 120.500 -0.061 0.000 2.334 2030 R HA 0.087 4.427 4.340 -0.000 0.000 0.216 2030 R C 1.543 177.770 176.300 -0.122 0.000 0.905 2030 R CA 0.179 56.230 56.100 -0.082 0.000 1.064 2030 R CB -0.077 30.191 30.300 -0.053 0.000 1.046 2030 R HN -0.148 nan 8.270 nan 0.000 0.508 2031 V N 1.713 121.551 119.914 -0.126 0.000 2.261 2031 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 2031 V C 2.414 178.242 176.094 -0.444 0.000 1.047 2031 V CA 2.342 64.541 62.300 -0.168 0.000 1.015 2031 V CB -0.591 31.213 31.823 -0.033 0.000 0.642 2031 V HN 0.591 nan 8.190 nan 0.000 0.446 2032 E N 0.373 120.144 120.200 -0.715 0.000 2.070 2032 E HA -0.331 4.019 4.350 -0.000 0.000 0.197 2032 E C 2.173 178.373 176.600 -0.666 0.000 1.004 2032 E CA 1.918 57.588 56.400 -1.217 0.000 0.805 2032 E CB -0.165 28.958 29.700 -0.961 0.000 0.744 2032 E HN 0.490 nan 8.360 nan 0.000 0.451 2033 K N 0.299 120.473 120.400 -0.376 0.000 2.044 2033 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 2033 K C 2.062 178.548 176.600 -0.191 0.000 1.049 2033 K CA 1.873 58.022 56.287 -0.230 0.000 0.927 2033 K CB -0.189 32.221 32.500 -0.148 0.000 0.713 2033 K HN 0.249 nan 8.250 nan 0.000 0.443 2034 I N 0.031 120.493 120.570 -0.180 0.000 2.163 2034 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 2034 I C 2.294 178.339 176.117 -0.121 0.000 1.081 2034 I CA 1.161 62.390 61.300 -0.118 0.000 1.353 2034 I CB -0.416 37.535 38.000 -0.081 0.000 1.054 2034 I HN 0.174 nan 8.210 nan 0.000 0.407 2035 A N 0.914 123.626 122.820 -0.180 0.000 1.948 2035 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 2035 A C 2.464 179.993 177.584 -0.091 0.000 1.177 2035 A CA 2.126 54.095 52.037 -0.113 0.000 0.636 2035 A CB -0.941 17.975 19.000 -0.141 0.000 0.815 2035 A HN 0.473 nan 8.150 nan 0.000 0.449 2036 A N -0.750 121.968 122.820 -0.170 0.000 2.125 2036 A HA 0.099 4.419 4.320 -0.000 0.000 0.219 2036 A C 1.886 179.438 177.584 -0.052 0.000 1.156 2036 A CA 1.174 53.150 52.037 -0.103 0.000 0.671 2036 A CB -0.508 18.408 19.000 -0.140 0.000 0.794 2036 A HN 0.500 nan 8.150 nan 0.000 0.459 2037 L N -1.373 119.818 121.223 -0.052 0.000 2.554 2037 L HA 0.119 4.459 4.340 -0.000 0.000 0.226 2037 L C 1.055 177.916 176.870 -0.014 0.000 1.137 2037 L CA 0.048 54.870 54.840 -0.030 0.000 0.863 2037 L CB -0.310 41.731 42.059 -0.030 0.000 0.985 2037 L HN 0.430 nan 8.230 nan 0.000 0.451 2038 M N -1.686 117.911 119.600 -0.006 0.000 2.840 2038 M HA 0.319 4.799 4.480 -0.000 0.000 0.283 2038 M C -0.723 175.590 176.300 0.020 0.000 1.136 2038 M CA -0.816 54.489 55.300 0.008 0.000 0.857 2038 M CB 1.258 33.866 32.600 0.013 0.000 1.644 2038 M HN -0.183 nan 8.290 nan 0.000 0.520 2039 D N 1.235 121.650 120.400 0.025 0.000 2.225 2039 D HA 0.201 4.841 4.640 -0.000 0.000 0.249 2039 D C -0.504 175.825 176.300 0.048 0.000 1.052 2039 D CA -0.110 53.908 54.000 0.031 0.000 0.909 2039 D CB 0.899 41.711 40.800 0.021 0.000 1.186 2039 D HN 0.439 nan 8.370 nan 0.000 0.431 2040 K N -0.390 120.041 120.400 0.052 0.000 3.278 2040 K HA -0.129 4.191 4.320 -0.000 0.000 0.270 2040 K C -2.321 174.338 176.600 0.099 0.000 0.955 2040 K CA 0.124 56.447 56.287 0.061 0.000 0.723 2040 K CB -1.577 30.946 32.500 0.039 0.000 1.382 2040 K HN 0.392 nan 8.250 nan 0.000 0.461 2041 P HA 0.156 nan 4.420 nan 0.000 0.271 2041 P C -0.238 177.255 177.300 0.322 0.000 1.220 2041 P CA -0.049 63.232 63.100 0.302 0.000 0.768 2041 P CB 1.169 33.062 31.700 0.320 0.000 0.848 2042 V N 3.950 123.999 119.914 0.224 0.000 2.668 2042 V HA 0.246 4.366 4.120 -0.000 0.000 0.304 2042 V C 0.312 175.999 176.094 -0.677 0.000 1.071 2042 V CA -0.883 61.303 62.300 -0.190 0.000 0.894 2042 V CB 2.238 33.996 31.823 -0.109 0.000 1.008 2042 V HN 0.493 nan 8.190 nan 0.000 0.425 2043 K N 3.610 123.134 120.400 -1.459 0.000 2.368 2043 K HA 0.393 4.713 4.320 -0.000 0.000 0.282 2043 K C 0.219 176.417 176.600 -0.671 0.000 1.035 2043 K CA -0.173 55.126 56.287 -1.648 0.000 0.973 2043 K CB 0.792 32.425 32.500 -1.444 0.000 0.957 2043 K HN 0.644 nan 8.250 nan 0.000 0.474 2044 L N 2.565 123.528 121.223 -0.434 0.000 2.362 2044 L HA 0.298 4.638 4.340 -0.000 0.000 0.204 2044 L C 0.437 177.230 176.870 -0.129 0.000 1.060 2044 L CA 0.131 54.853 54.840 -0.197 0.000 0.827 2044 L CB 0.459 42.465 42.059 -0.088 0.000 1.027 2044 L HN 0.745 nan 8.230 nan 0.000 0.474 2045 A N -1.168 121.589 122.820 -0.105 0.000 2.597 2045 A HA 0.614 4.934 4.320 -0.000 0.000 0.292 2045 A C -1.214 176.326 177.584 -0.072 0.000 1.057 2045 A CA -0.288 51.713 52.037 -0.059 0.000 0.674 2045 A CB 1.674 20.727 19.000 0.087 0.000 1.278 2045 A HN -0.154 nan 8.150 nan 0.000 0.416 2046 S N 0.703 116.251 115.700 -0.253 0.000 2.706 2046 S HA 0.653 5.123 4.470 -0.000 0.000 0.270 2046 S C -1.767 172.547 174.600 -0.476 0.000 1.163 2046 S CA -0.469 57.611 58.200 -0.200 0.000 1.042 2046 S CB 0.373 63.503 63.200 -0.117 0.000 1.079 2046 S HN 0.757 nan 8.310 nan 0.000 0.474 2047 H N 3.318 122.455 119.070 0.111 0.000 2.856 2047 H HA 0.508 5.064 4.556 -0.000 0.000 0.355 2047 H C 0.514 175.913 175.328 0.117 0.000 1.079 2047 H CA -0.472 55.639 56.048 0.106 0.000 1.240 2047 H CB 1.613 31.445 29.762 0.116 0.000 1.701 2047 H HN 0.774 nan 8.280 nan 0.000 0.527 2048 R N 0.478 121.060 120.500 0.137 0.000 3.750 2048 R HA -0.241 4.099 4.340 -0.000 0.000 0.495 2048 R C 1.142 177.347 176.300 -0.158 0.000 0.241 2048 R CA 1.972 58.062 56.100 -0.016 0.000 1.551 2048 R CB -0.721 29.569 30.300 -0.016 0.000 0.956 2048 R HN 0.769 nan 8.270 nan 0.000 0.584 2049 E N 1.799 121.730 120.200 -0.449 0.000 2.494 2049 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 2049 E C -0.342 176.008 176.600 -0.418 0.000 1.074 2049 E CA 0.616 56.746 56.400 -0.450 0.000 0.867 2049 E CB 0.120 29.520 29.700 -0.500 0.000 0.924 2049 E HN 0.295 nan 8.360 nan 0.000 0.502 2050 F N 1.550 121.543 119.950 0.071 0.000 2.308 2050 F HA 0.320 4.847 4.527 -0.000 0.000 0.370 2050 F C 0.193 176.046 175.800 0.089 0.000 1.100 2050 F CA -0.650 57.401 58.000 0.086 0.000 1.108 2050 F CB 1.598 40.663 39.000 0.109 0.000 1.293 2050 F HN -0.330 nan 8.300 nan 0.000 0.478 2051 T N 2.147 116.841 114.554 0.234 0.000 2.771 2051 T HA 0.475 4.825 4.350 -0.000 0.000 0.281 2051 T C -0.091 174.762 174.700 0.255 0.000 0.982 2051 T CA -0.468 61.756 62.100 0.208 0.000 0.978 2051 T CB 0.997 69.974 68.868 0.181 0.000 0.930 2051 T HN 0.405 nan 8.240 nan 0.000 0.447 2052 T N 3.772 118.467 114.554 0.234 0.000 2.792 2052 T HA 0.473 4.823 4.350 -0.000 0.000 0.280 2052 T C -1.002 173.847 174.700 0.248 0.000 0.990 2052 T CA -0.608 61.627 62.100 0.225 0.000 0.960 2052 T CB 0.609 69.559 68.868 0.137 0.000 0.939 2052 T HN 0.436 nan 8.240 nan 0.000 0.439 2053 W N 1.901 123.217 121.300 0.028 0.000 2.706 2053 W HA 0.658 5.318 4.660 -0.000 0.000 0.346 2053 W C 0.305 176.831 176.519 0.011 0.000 1.071 2053 W CA -1.157 56.197 57.345 0.015 0.000 1.206 2053 W CB 1.181 30.647 29.460 0.011 0.000 1.413 2053 W HN 0.381 nan 8.180 nan 0.000 0.542 2054 R N 1.575 122.192 120.500 0.194 0.000 2.589 2054 R HA 0.854 5.194 4.340 -0.000 0.000 0.293 2054 R C -0.633 175.756 176.300 0.149 0.000 0.963 2054 R CA -0.327 55.846 56.100 0.123 0.000 0.905 2054 R CB 1.386 31.714 30.300 0.046 0.000 1.144 2054 R HN 0.653 nan 8.270 nan 0.000 0.459 2055 A N 2.668 125.553 122.820 0.108 0.000 2.507 2055 A HA 0.521 4.841 4.320 -0.000 0.000 0.284 2055 A C -1.490 176.124 177.584 0.049 0.000 1.281 2055 A CA -0.670 51.422 52.037 0.092 0.000 0.744 2055 A CB 1.698 20.756 19.000 0.096 0.000 1.332 2055 A HN 0.714 nan 8.150 nan 0.000 0.454 2056 E N -0.669 119.554 120.200 0.038 0.000 2.248 2056 E HA 0.573 4.923 4.350 -0.000 0.000 0.267 2056 E C -2.250 174.359 176.600 0.015 0.000 0.877 2056 E CA -0.566 55.847 56.400 0.021 0.000 0.759 2056 E CB 1.964 31.676 29.700 0.019 0.000 1.182 2056 E HN 0.435 nan 8.360 nan 0.000 0.418 2057 L N 4.324 125.551 121.223 0.006 0.000 2.404 2057 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 2057 L C -1.192 175.677 176.870 -0.002 0.000 0.980 2057 L CA -0.124 54.716 54.840 0.001 0.000 0.836 2057 L CB 1.441 43.498 42.059 -0.003 0.000 1.238 2057 L HN 0.615 nan 8.230 nan 0.000 0.408 2058 D N 4.521 124.920 120.400 -0.002 0.000 2.701 2058 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 2058 D C 1.179 177.478 176.300 -0.002 0.000 1.155 2058 D CA 1.575 55.573 54.000 -0.003 0.000 0.649 2058 D CB -0.920 39.876 40.800 -0.006 0.000 1.050 2058 D HN 1.197 nan 8.370 nan 0.000 0.425 2059 G N -0.919 107.881 108.800 0.000 0.000 2.168 2059 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.263 2059 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.263 2059 G C 0.232 175.132 174.900 -0.001 0.000 0.977 2059 G CA 0.746 45.846 45.100 0.001 0.000 0.659 2059 G HN 0.420 nan 8.290 nan 0.000 0.533 2060 K N 1.043 121.442 120.400 -0.002 0.000 2.221 2060 K HA 0.451 4.771 4.320 -0.000 0.000 0.258 2060 K C -2.638 173.961 176.600 -0.003 0.000 0.944 2060 K CA -1.983 54.301 56.287 -0.005 0.000 0.823 2060 K CB 2.674 35.168 32.500 -0.010 0.000 1.113 2060 K HN 0.070 nan 8.250 nan 0.000 0.431 2061 P HA 0.120 nan 4.420 nan 0.000 0.271 2061 P C -0.516 176.780 177.300 -0.006 0.000 1.216 2061 P CA -0.254 62.846 63.100 0.000 0.000 0.771 2061 P CB 0.807 32.505 31.700 -0.002 0.000 0.864 2062 V N 4.785 124.701 119.914 0.004 0.000 2.841 2062 V HA 0.347 4.467 4.120 -0.000 0.000 0.310 2062 V C 0.129 176.233 176.094 0.016 0.000 1.090 2062 V CA -0.805 61.493 62.300 -0.004 0.000 0.930 2062 V CB 2.480 34.302 31.823 -0.002 0.000 1.014 2062 V HN 0.402 nan 8.190 nan 0.000 0.425 2063 I N 3.979 124.552 120.570 0.004 0.000 2.437 2063 I HA 0.492 4.662 4.170 -0.000 0.000 0.298 2063 I C -0.267 175.882 176.117 0.053 0.000 0.984 2063 I CA -0.487 60.834 61.300 0.036 0.000 1.214 2063 I CB 1.921 39.930 38.000 0.015 0.000 1.365 2063 I HN 0.255 nan 8.210 nan 0.000 0.469 2064 V N 5.446 125.422 119.914 0.104 0.000 2.378 2064 V HA 0.381 4.501 4.120 -0.000 0.000 0.288 2064 V C -0.355 175.826 176.094 0.144 0.000 1.016 2064 V CA -0.494 61.867 62.300 0.102 0.000 0.840 2064 V CB 1.907 33.776 31.823 0.077 0.000 0.994 2064 V HN 0.890 nan 8.190 nan 0.000 0.431 2065 C N 5.271 124.651 119.300 0.134 0.000 2.481 2065 C HA 0.730 5.190 4.460 -0.000 0.000 0.324 2065 C C 0.526 175.619 174.990 0.173 0.000 1.170 2065 C CA -0.396 58.723 59.018 0.168 0.000 1.361 2065 C CB 1.063 28.901 27.740 0.163 0.000 1.977 2065 C HN 1.020 nan 8.230 nan 0.000 0.459 2066 S N 3.358 119.172 115.700 0.190 0.000 2.584 2066 S HA 0.393 4.863 4.470 -0.000 0.000 0.273 2066 S C 0.909 175.655 174.600 0.243 0.000 1.311 2066 S CA 0.333 58.629 58.200 0.161 0.000 1.034 2066 S CB 1.368 64.629 63.200 0.101 0.000 0.939 2066 S HN 1.009 nan 8.310 nan 0.000 0.513 2067 T N -0.938 113.718 114.554 0.170 0.000 3.037 2067 T HA 0.513 4.863 4.350 -0.000 0.000 0.251 2067 T C 1.235 175.993 174.700 0.097 0.000 1.079 2067 T CA 0.259 62.486 62.100 0.212 0.000 1.067 2067 T CB -0.952 67.993 68.868 0.127 0.000 0.948 2067 T HN 1.868 nan 8.240 nan 0.000 0.496 2068 G N 1.566 110.356 108.800 -0.016 0.000 2.741 2068 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.222 2068 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.222 2068 G C -0.619 174.261 174.900 -0.034 0.000 1.364 2068 G CA -0.460 44.586 45.100 -0.090 0.000 0.866 2068 G HN 0.627 nan 8.290 nan 0.000 0.555 2069 I N 2.167 122.709 120.570 -0.046 0.000 2.342 2069 I HA 0.551 4.721 4.170 -0.000 0.000 0.291 2069 I C 1.023 177.134 176.117 -0.010 0.000 1.010 2069 I CA 0.774 62.060 61.300 -0.023 0.000 1.308 2069 I CB 0.622 38.601 38.000 -0.036 0.000 1.400 2069 I HN 1.996 nan 8.210 nan 0.000 0.488 2070 G N 3.866 112.669 108.800 0.006 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 0.536 175.443 174.900 0.012 0.000 1.232 2070 G CA -0.496 44.609 45.100 0.008 0.000 0.803 2070 G HN 0.911 nan 8.290 nan 0.000 0.638 2071 G N 0.726 109.531 108.800 0.007 0.000 2.529 2071 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.219 2071 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.219 2071 G C 0.167 175.074 174.900 0.012 0.000 1.177 2071 G CA 2.373 47.476 45.100 0.005 0.000 0.773 2071 G HN 0.722 nan 8.290 nan 0.000 0.573 2072 P HA -0.131 nan 4.420 nan 0.000 0.213 2072 P C 2.512 179.843 177.300 0.051 0.000 1.170 2072 P CA 2.604 65.709 63.100 0.009 0.000 0.902 2072 P CB -0.305 31.394 31.700 -0.001 0.000 0.789 2073 S N -2.070 113.673 115.700 0.073 0.000 2.402 2073 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 2073 S C 1.955 176.694 174.600 0.231 0.000 1.021 2073 S CA 1.778 60.090 58.200 0.187 0.000 0.974 2073 S CB -1.973 61.285 63.200 0.097 0.000 0.800 2073 S HN 0.090 nan 8.310 nan 0.000 0.484 2074 T N 3.045 117.668 114.554 0.116 0.000 2.720 2074 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 2074 T C 2.343 177.044 174.700 0.002 0.000 1.037 2074 T CA 1.944 64.082 62.100 0.064 0.000 1.144 2074 T CB -0.759 68.115 68.868 0.010 0.000 0.864 2074 T HN 0.802 nan 8.240 nan 0.000 0.444 2075 S N 1.211 116.920 115.700 0.015 0.000 2.382 2075 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 2075 S C 2.088 176.691 174.600 0.005 0.000 1.027 2075 S CA 0.820 59.032 58.200 0.019 0.000 0.991 2075 S CB -0.758 62.547 63.200 0.175 0.000 0.823 2075 S HN 0.513 nan 8.310 nan 0.000 0.469 2076 I N 2.242 122.805 120.570 -0.012 0.000 2.142 2076 I HA -0.142 4.028 4.170 -0.000 0.000 0.240 2076 I C 3.153 179.148 176.117 -0.203 0.000 1.078 2076 I CA 1.214 62.442 61.300 -0.119 0.000 1.343 2076 I CB -0.774 37.081 38.000 -0.242 0.000 1.046 2076 I HN 0.448 nan 8.210 nan 0.000 0.405 2077 A N 0.369 123.062 122.820 -0.211 0.000 1.908 2077 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 2077 A C 2.407 179.948 177.584 -0.071 0.000 1.181 2077 A CA 1.895 53.812 52.037 -0.201 0.000 0.627 2077 A CB -0.955 18.051 19.000 0.010 0.000 0.818 2077 A HN 0.261 nan 8.150 nan 0.000 0.445 2078 V N -0.003 119.836 119.914 -0.125 0.000 2.379 2078 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 2078 V C 2.599 178.607 176.094 -0.143 0.000 1.044 2078 V CA 2.283 64.412 62.300 -0.286 0.000 1.036 2078 V CB -0.670 30.785 31.823 -0.614 0.000 0.664 2078 V HN 0.737 nan 8.190 nan 0.000 0.453 2079 E N 1.030 121.175 120.200 -0.092 0.000 2.085 2079 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 2079 E C 2.067 178.691 176.600 0.039 0.000 0.994 2079 E CA 1.974 58.371 56.400 -0.005 0.000 0.801 2079 E CB -0.249 29.481 29.700 0.051 0.000 0.743 2079 E HN 0.681 nan 8.360 nan 0.000 0.453 2080 E N -0.336 119.877 120.200 0.021 0.000 2.158 2080 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 2080 E C 2.246 178.883 176.600 0.061 0.000 0.982 2080 E CA 0.674 57.095 56.400 0.034 0.000 0.823 2080 E CB -0.056 29.643 29.700 -0.002 0.000 0.766 2080 E HN 0.288 nan 8.360 nan 0.000 0.468 2081 L N 0.702 121.986 121.223 0.103 0.000 2.056 2081 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 2081 L C 2.589 179.568 176.870 0.183 0.000 1.078 2081 L CA 0.974 55.911 54.840 0.161 0.000 0.749 2081 L CB -0.424 41.812 42.059 0.296 0.000 0.901 2081 L HN 0.141 nan 8.230 nan 0.000 0.433 2082 A N -0.541 122.438 122.820 0.265 0.000 1.902 2082 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 2082 A C 2.210 179.860 177.584 0.109 0.000 1.181 2082 A CA 1.579 53.748 52.037 0.220 0.000 0.623 2082 A CB -0.490 18.629 19.000 0.199 0.000 0.818 2082 A HN 0.469 nan 8.150 nan 0.000 0.443 2083 Q N -1.174 118.678 119.800 0.086 0.000 2.135 2083 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 2083 Q C 1.625 177.653 176.000 0.046 0.000 0.981 2083 Q CA 1.118 56.956 55.803 0.059 0.000 0.856 2083 Q CB -0.214 28.556 28.738 0.054 0.000 0.902 2083 Q HN 0.478 nan 8.270 nan 0.000 0.425 2084 L N -1.519 119.732 121.223 0.047 0.000 2.395 2084 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 2084 L C 1.446 178.327 176.870 0.018 0.000 1.130 2084 L CA 1.781 56.639 54.840 0.029 0.000 0.826 2084 L CB -0.208 41.867 42.059 0.027 0.000 0.941 2084 L HN 0.417 nan 8.230 nan 0.000 0.451 2085 G N -1.648 107.165 108.800 0.021 0.000 2.183 2085 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.168 2085 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.168 2085 G C 0.301 175.183 174.900 -0.030 0.000 1.008 2085 G CA -0.459 44.644 45.100 0.004 0.000 0.677 2085 G HN 0.056 nan 8.290 nan 0.000 0.498 2086 I N 0.985 121.522 120.570 -0.055 0.000 2.648 2086 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 2086 I C 1.278 177.286 176.117 -0.181 0.000 1.153 2086 I CA 0.271 61.444 61.300 -0.213 0.000 1.426 2086 I CB 0.964 38.713 38.000 -0.419 0.000 1.381 2086 I HN 0.090 nan 8.210 nan 0.000 0.571 2087 R N 2.785 123.147 120.500 -0.231 0.000 2.517 2087 R HA 0.195 4.535 4.340 -0.000 0.000 0.265 2087 R C -0.300 175.950 176.300 -0.083 0.000 0.921 2087 R CA 0.190 56.252 56.100 -0.063 0.000 1.054 2087 R CB 0.669 30.956 30.300 -0.021 0.000 1.340 2087 R HN 0.550 nan 8.270 nan 0.000 0.551 2088 T N 1.175 115.542 114.554 -0.311 0.000 2.879 2088 T HA 0.565 4.915 4.350 -0.000 0.000 0.290 2088 T C -1.044 173.420 174.700 -0.395 0.000 0.993 2088 T CA -0.294 61.694 62.100 -0.187 0.000 0.975 2088 T CB 1.241 70.046 68.868 -0.105 0.000 0.981 2088 T HN -0.150 nan 8.240 nan 0.000 0.439 2089 F N 2.831 122.778 119.950 -0.006 0.000 2.477 2089 F HA 0.555 5.082 4.527 -0.000 0.000 0.335 2089 F C -0.227 175.570 175.800 -0.005 0.000 1.130 2089 F CA -1.025 56.971 58.000 -0.005 0.000 0.948 2089 F CB 1.279 40.271 39.000 -0.013 0.000 1.154 2089 F HN 0.218 nan 8.300 nan 0.000 0.439 2090 L N 4.466 125.766 121.223 0.130 0.000 2.298 2090 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 2090 L C 0.003 176.924 176.870 0.084 0.000 1.013 2090 L CA -0.657 54.232 54.840 0.082 0.000 0.824 2090 L CB 1.656 43.735 42.059 0.032 0.000 1.221 2090 L HN 0.590 nan 8.230 nan 0.000 0.418 2091 R N 4.117 124.662 120.500 0.074 0.000 2.349 2091 R HA 0.502 4.842 4.340 -0.000 0.000 0.299 2091 R C -1.030 175.293 176.300 0.038 0.000 1.027 2091 R CA -0.479 55.657 56.100 0.059 0.000 0.958 2091 R CB 1.284 31.613 30.300 0.047 0.000 1.047 2091 R HN 0.502 nan 8.270 nan 0.000 0.468 2092 I N 4.151 124.742 120.570 0.035 0.000 2.447 2092 I HA 0.498 4.668 4.170 -0.000 0.000 0.287 2092 I C -0.701 175.429 176.117 0.023 0.000 1.023 2092 I CA -0.071 61.243 61.300 0.024 0.000 1.083 2092 I CB 1.358 39.368 38.000 0.017 0.000 1.245 2092 I HN 0.871 nan 8.210 nan 0.000 0.434 2093 G N 4.634 113.447 108.800 0.022 0.000 3.015 2093 G HA2 0.681 4.641 3.960 -0.000 0.000 0.281 2093 G HA3 0.681 4.641 3.960 -0.000 0.000 0.281 2093 G C -0.849 174.065 174.900 0.023 0.000 1.386 2093 G CA -0.392 44.721 45.100 0.022 0.000 0.959 2093 G HN 0.567 nan 8.290 nan 0.000 0.522 2094 T N -2.792 111.778 114.554 0.027 0.000 2.925 2094 T HA 0.728 5.078 4.350 -0.000 0.000 0.285 2094 T C -0.291 174.434 174.700 0.043 0.000 1.021 2094 T CA -0.554 61.565 62.100 0.033 0.000 1.042 2094 T CB 1.992 70.881 68.868 0.034 0.000 1.037 2094 T HN 0.860 nan 8.240 nan 0.000 0.481 2095 T N -0.186 114.392 114.554 0.040 0.000 2.853 2095 T HA 0.663 5.013 4.350 -0.000 0.000 0.311 2095 T C -0.594 174.125 174.700 0.031 0.000 1.307 2095 T CA -0.426 61.696 62.100 0.038 0.000 1.019 2095 T CB 1.362 70.243 68.868 0.023 0.000 1.264 2095 T HN 1.163 nan 8.240 nan 0.000 0.497 2096 G N 1.435 110.252 108.800 0.029 0.000 2.370 2096 G HA2 0.659 4.619 3.960 -0.000 0.000 0.317 2096 G HA3 0.659 4.619 3.960 -0.000 0.000 0.317 2096 G C -0.107 174.795 174.900 0.002 0.000 1.162 2096 G CA -0.242 44.870 45.100 0.019 0.000 0.922 2096 G HN 0.974 nan 8.290 nan 0.000 0.454 2097 A N 2.139 124.942 122.820 -0.028 0.000 2.340 2097 A HA 0.567 4.887 4.320 -0.000 0.000 0.268 2097 A C 1.051 178.591 177.584 -0.073 0.000 1.100 2097 A CA -0.496 51.493 52.037 -0.080 0.000 0.803 2097 A CB 0.312 19.245 19.000 -0.112 0.000 1.043 2097 A HN 1.279 nan 8.150 nan 0.000 0.488 2098 I N -2.058 118.443 120.570 -0.114 0.000 4.154 2098 I HA 0.252 4.422 4.170 -0.000 0.000 0.334 2098 I C -0.185 175.885 176.117 -0.079 0.000 1.371 2098 I CA -0.292 60.960 61.300 -0.079 0.000 1.110 2098 I CB 0.231 38.163 38.000 -0.112 0.000 1.085 2098 I HN 0.323 nan 8.210 nan 0.000 0.398 2099 Q N 2.794 122.507 119.800 -0.145 0.000 2.256 2099 Q HA 0.384 4.724 4.340 -0.000 0.000 0.257 2099 Q C -1.808 174.092 176.000 -0.166 0.000 0.936 2099 Q CA -2.149 53.565 55.803 -0.148 0.000 0.903 2099 Q CB 1.813 30.382 28.738 -0.283 0.000 1.263 2099 Q HN 0.046 nan 8.270 nan 0.000 0.440 2100 P HA -0.146 nan 4.420 nan 0.000 0.222 2100 P C 0.699 177.996 177.300 -0.004 0.000 1.147 2100 P CA 1.404 64.501 63.100 -0.004 0.000 0.790 2100 P CB 0.167 31.896 31.700 0.048 0.000 0.780 2101 H N -1.499 117.537 119.070 -0.056 0.000 2.553 2101 H HA 0.252 4.808 4.556 -0.000 0.000 0.265 2101 H C 0.602 175.882 175.328 -0.079 0.000 0.964 2101 H CA -0.354 55.665 56.048 -0.048 0.000 1.156 2101 H CB -0.506 29.234 29.762 -0.036 0.000 1.411 2101 H HN 0.120 nan 8.280 nan 0.000 0.558 2102 I N 3.196 123.436 120.570 -0.549 0.000 2.342 2102 I HA 0.068 4.238 4.170 -0.000 0.000 0.291 2102 I C -0.215 175.824 176.117 -0.130 0.000 1.010 2102 I CA -0.450 60.601 61.300 -0.415 0.000 1.308 2102 I CB 0.816 38.470 38.000 -0.577 0.000 1.400 2102 I HN 0.081 nan 8.210 nan 0.000 0.488 2103 N N 5.095 123.793 118.700 -0.003 0.000 2.466 2103 N HA 0.296 5.036 4.740 -0.000 0.000 0.294 2103 N C -0.498 175.026 175.510 0.023 0.000 1.129 2103 N CA -0.623 52.438 53.050 0.017 0.000 0.931 2103 N CB 2.027 40.542 38.487 0.046 0.000 1.193 2103 N HN 0.176 nan 8.380 nan 0.000 0.500 2104 V N 1.076 120.998 119.914 0.014 0.000 2.584 2104 V HA 0.173 4.293 4.120 -0.000 0.000 0.303 2104 V C 1.499 177.607 176.094 0.023 0.000 1.035 2104 V CA 1.691 64.001 62.300 0.016 0.000 1.172 2104 V CB 0.017 31.846 31.823 0.011 0.000 0.896 2104 V HN 1.072 nan 8.190 nan 0.000 0.486 2105 G N 3.912 112.728 108.800 0.027 0.000 2.238 2105 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 2105 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 2105 G C -0.030 174.915 174.900 0.075 0.000 0.996 2105 G CA -0.025 45.094 45.100 0.031 0.000 0.632 2105 G HN 0.661 nan 8.290 nan 0.000 0.503 2106 D N 0.243 120.692 120.400 0.083 0.000 2.368 2106 D HA 0.460 5.100 4.640 -0.000 0.000 0.240 2106 D C 0.543 176.901 176.300 0.096 0.000 1.169 2106 D CA 0.183 54.249 54.000 0.110 0.000 0.906 2106 D CB 1.569 42.475 40.800 0.177 0.000 1.187 2106 D HN 0.221 nan 8.370 nan 0.000 0.435 2107 V N 2.147 122.108 119.914 0.079 0.000 2.398 2107 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 2107 V C 0.038 176.168 176.094 0.059 0.000 1.026 2107 V CA -0.699 61.632 62.300 0.053 0.000 0.868 2107 V CB 1.163 32.996 31.823 0.016 0.000 0.982 2107 V HN 0.263 nan 8.190 nan 0.000 0.443 2108 L N 5.461 126.716 121.223 0.054 0.000 2.313 2108 L HA 0.624 4.964 4.340 -0.000 0.000 0.283 2108 L C -0.632 176.255 176.870 0.028 0.000 1.013 2108 L CA -0.781 54.092 54.840 0.056 0.000 0.816 2108 L CB 1.930 44.015 42.059 0.043 0.000 1.236 2108 L HN 0.331 nan 8.230 nan 0.000 0.419 2109 V N 1.923 121.852 119.914 0.025 0.000 2.370 2109 V HA 0.284 4.404 4.120 -0.000 0.000 0.283 2109 V C 0.319 176.420 176.094 0.012 0.000 1.023 2109 V CA -0.399 61.906 62.300 0.009 0.000 0.857 2109 V CB 1.633 33.453 31.823 -0.005 0.000 0.985 2109 V HN 0.729 nan 8.190 nan 0.000 0.443 2110 T N 3.609 118.166 114.554 0.006 0.000 2.780 2110 T HA 0.206 4.556 4.350 -0.000 0.000 0.294 2110 T C 1.332 176.037 174.700 0.009 0.000 0.949 2110 T CA 0.191 62.293 62.100 0.003 0.000 1.074 2110 T CB 1.220 70.086 68.868 -0.004 0.000 0.910 2110 T HN 0.965 nan 8.240 nan 0.000 0.501 2111 T N 0.715 115.277 114.554 0.013 0.000 2.937 2111 T HA 0.492 4.842 4.350 -0.000 0.000 0.260 2111 T C 0.714 175.426 174.700 0.020 0.000 1.051 2111 T CA 0.247 62.362 62.100 0.025 0.000 1.141 2111 T CB 0.186 69.074 68.868 0.034 0.000 0.879 2111 T HN 0.754 nan 8.240 nan 0.000 0.459 2112 A N -0.054 122.768 122.820 0.003 0.000 2.586 2112 A HA 0.678 4.998 4.320 -0.000 0.000 0.291 2112 A C -1.059 176.510 177.584 -0.026 0.000 1.062 2112 A CA -0.822 51.212 52.037 -0.005 0.000 0.666 2112 A CB 1.238 20.233 19.000 -0.008 0.000 1.281 2112 A HN 0.179 nan 8.150 nan 0.000 0.421 2113 S N -0.286 115.397 115.700 -0.029 0.000 2.513 2113 S HA 0.594 5.064 4.470 -0.000 0.000 0.299 2113 S C -0.353 174.196 174.600 -0.086 0.000 1.087 2113 S CA -0.523 57.641 58.200 -0.061 0.000 1.012 2113 S CB 1.672 64.848 63.200 -0.040 0.000 1.044 2113 S HN 0.916 nan 8.310 nan 0.000 0.485 2114 V N 3.420 123.229 119.914 -0.175 0.000 2.521 2114 V HA 0.176 4.296 4.120 -0.000 0.000 0.286 2114 V C 0.569 176.582 176.094 -0.134 0.000 1.034 2114 V CA 0.022 62.180 62.300 -0.236 0.000 1.045 2114 V CB -0.114 31.363 31.823 -0.577 0.000 0.974 2114 V HN 0.694 nan 8.190 nan 0.000 0.480 2115 R N 5.382 125.858 120.500 -0.040 0.000 2.608 2115 R HA 0.331 4.671 4.340 -0.000 0.000 0.277 2115 R C -0.042 176.304 176.300 0.076 0.000 1.341 2115 R CA -0.133 55.985 56.100 0.030 0.000 1.199 2115 R CB 0.077 30.419 30.300 0.070 0.000 1.156 2115 R HN 0.668 nan 8.270 nan 0.000 0.558 2116 L N 2.617 123.890 121.223 0.084 0.000 2.912 2116 L HA 0.160 4.500 4.340 -0.000 0.000 0.240 2116 L C 0.127 177.094 176.870 0.162 0.000 1.262 2116 L CA -0.260 54.699 54.840 0.198 0.000 1.058 2116 L CB -0.627 41.591 42.059 0.264 0.000 1.383 2116 L HN 0.534 nan 8.230 nan 0.000 0.512 2117 D N -1.493 118.975 120.400 0.112 0.000 2.450 2117 D HA 0.285 4.925 4.640 -0.000 0.000 0.238 2117 D C 0.717 177.063 176.300 0.076 0.000 1.020 2117 D CA -0.424 53.622 54.000 0.077 0.000 1.010 2117 D CB 2.002 42.830 40.800 0.047 0.000 1.342 2117 D HN -0.058 nan 8.370 nan 0.000 0.530 2118 G N -0.679 108.144 108.800 0.039 0.000 2.576 2118 G HA2 0.163 4.123 3.960 -0.000 0.000 0.210 2118 G HA3 0.163 4.123 3.960 -0.000 0.000 0.210 2118 G C 1.321 176.184 174.900 -0.062 0.000 1.143 2118 G CA 0.670 45.783 45.100 0.022 0.000 0.819 2118 G HN 0.615 nan 8.290 nan 0.000 0.534 2119 A N 1.688 124.436 122.820 -0.120 0.000 1.930 2119 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 2119 A C 2.707 180.330 177.584 0.066 0.000 1.175 2119 A CA 2.377 54.287 52.037 -0.212 0.000 0.627 2119 A CB -0.753 18.201 19.000 -0.077 0.000 0.815 2119 A HN 0.716 nan 8.150 nan 0.000 0.443 2120 S N 0.470 116.249 115.700 0.133 0.000 2.387 2120 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 2120 S C 1.781 176.520 174.600 0.232 0.000 1.035 2120 S CA 1.629 59.959 58.200 0.216 0.000 1.014 2120 S CB -0.895 62.384 63.200 0.133 0.000 0.836 2120 S HN 0.457 nan 8.310 nan 0.000 0.466 2121 L N 0.840 122.174 121.223 0.185 0.000 2.353 2121 L HA -0.070 4.270 4.340 -0.000 0.000 0.220 2121 L C 2.424 179.391 176.870 0.162 0.000 1.133 2121 L CA 1.320 56.265 54.840 0.174 0.000 0.798 2121 L CB -0.805 41.358 42.059 0.173 0.000 0.922 2121 L HN 0.526 nan 8.230 nan 0.000 0.445 2122 H N -1.885 117.120 119.070 -0.108 0.000 2.551 2122 H HA 0.007 4.563 4.556 -0.000 0.000 0.266 2122 H C 1.354 176.321 175.328 -0.601 0.000 0.977 2122 H CA 0.514 56.349 56.048 -0.355 0.000 1.163 2122 H CB 0.378 29.858 29.762 -0.470 0.000 1.381 2122 H HN 0.347 nan 8.280 nan 0.000 0.581 2123 F N -0.197 119.775 119.950 0.037 0.000 2.619 2123 F HA 0.415 4.942 4.527 -0.000 0.000 0.281 2123 F C 0.924 176.632 175.800 -0.153 0.000 1.065 2123 F CA 0.004 57.965 58.000 -0.066 0.000 1.304 2123 F CB 0.899 39.844 39.000 -0.092 0.000 1.059 2123 F HN -0.050 nan 8.300 nan 0.000 0.648 2124 A N 0.396 123.230 122.820 0.023 0.000 2.549 2124 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 2124 A C -2.754 174.844 177.584 0.023 0.000 1.061 2124 A CA -1.523 50.450 52.037 -0.106 0.000 0.690 2124 A CB 0.737 19.457 19.000 -0.467 0.000 1.287 2124 A HN -0.176 nan 8.150 nan 0.000 0.402 2125 P HA 0.113 nan 4.420 nan 0.000 0.271 2125 P C 0.848 178.229 177.300 0.135 0.000 1.233 2125 P CA -0.329 62.819 63.100 0.081 0.000 0.789 2125 P CB 0.648 32.391 31.700 0.072 0.000 0.951 2126 L N 1.313 122.605 121.223 0.115 0.000 2.127 2126 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 2126 L C 2.166 179.118 176.870 0.136 0.000 1.089 2126 L CA 1.838 56.752 54.840 0.123 0.000 0.757 2126 L CB -1.323 40.795 42.059 0.097 0.000 0.899 2126 L HN 0.454 nan 8.230 nan 0.000 0.434 2127 E N -1.191 119.087 120.200 0.131 0.000 2.418 2127 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 2127 E C 0.662 177.341 176.600 0.131 0.000 1.026 2127 E CA -0.000 56.465 56.400 0.110 0.000 0.862 2127 E CB -0.685 29.067 29.700 0.088 0.000 0.799 2127 E HN 0.433 nan 8.360 nan 0.000 0.518 2128 F N 4.159 124.133 119.950 0.039 0.000 2.427 2128 F HA 0.239 4.766 4.527 -0.000 0.000 0.352 2128 F C -2.021 173.799 175.800 0.033 0.000 1.100 2128 F CA -2.725 55.298 58.000 0.037 0.000 1.191 2128 F CB 0.794 39.822 39.000 0.046 0.000 1.128 2128 F HN -0.178 nan 8.300 nan 0.000 0.533 2129 P HA 0.102 nan 4.420 nan 0.000 0.276 2129 P C -1.052 176.261 177.300 0.022 0.000 1.235 2129 P CA -0.298 62.711 63.100 -0.153 0.000 0.772 2129 P CB 1.148 32.693 31.700 -0.258 0.000 0.871 2130 A N 4.199 127.072 122.820 0.088 0.000 3.048 2130 A HA 0.210 4.530 4.320 -0.000 0.000 0.264 2130 A C 0.348 177.962 177.584 0.050 0.000 1.796 2130 A CA -0.266 51.834 52.037 0.104 0.000 1.445 2130 A CB -1.024 18.018 19.000 0.070 0.000 1.074 2130 A HN 0.478 nan 8.150 nan 0.000 0.621 2131 V N 1.884 121.827 119.914 0.048 0.000 2.481 2131 V HA 0.651 4.771 4.120 -0.000 0.000 0.286 2131 V C 0.685 176.810 176.094 0.052 0.000 1.042 2131 V CA -0.189 62.126 62.300 0.025 0.000 0.928 2131 V CB 1.249 33.061 31.823 -0.019 0.000 0.986 2131 V HN 0.891 nan 8.190 nan 0.000 0.462 2132 A N 4.384 127.233 122.820 0.048 0.000 2.351 2132 A HA 0.357 4.677 4.320 -0.000 0.000 0.257 2132 A C 0.119 177.751 177.584 0.080 0.000 1.087 2132 A CA -0.202 51.868 52.037 0.055 0.000 0.798 2132 A CB 0.118 19.142 19.000 0.040 0.000 1.033 2132 A HN 1.031 nan 8.150 nan 0.000 0.488 2133 D N 0.132 120.581 120.400 0.082 0.000 2.455 2133 D HA 0.085 4.725 4.640 -0.000 0.000 0.241 2133 D C 0.670 177.042 176.300 0.121 0.000 1.138 2133 D CA 0.147 54.210 54.000 0.105 0.000 0.877 2133 D CB 0.149 41.001 40.800 0.087 0.000 1.187 2133 D HN 0.412 nan 8.370 nan 0.000 0.451 2134 F N 2.731 122.689 119.950 0.015 0.000 2.146 2134 F HA -0.067 4.460 4.527 0.000 0.000 0.298 2134 F C 1.838 177.643 175.800 0.008 0.000 1.096 2134 F CA 1.228 59.233 58.000 0.008 0.000 1.275 2134 F CB 0.153 39.156 39.000 0.005 0.000 1.008 2134 F HN 0.524 nan 8.300 nan 0.000 0.480 2135 E N -0.442 119.730 120.200 -0.046 0.000 2.072 2135 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 2135 E C 2.326 178.835 176.600 -0.151 0.000 0.985 2135 E CA 1.494 57.810 56.400 -0.140 0.000 0.801 2135 E CB -0.460 29.237 29.700 -0.005 0.000 0.750 2135 E HN 0.447 nan 8.360 nan 0.000 0.452 2136 C N 0.437 119.692 119.300 -0.074 0.000 2.432 2136 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 2136 C C 2.875 177.811 174.990 -0.090 0.000 1.249 2136 C CA 1.128 60.112 59.018 -0.056 0.000 1.725 2136 C CB -0.926 26.812 27.740 -0.003 0.000 2.028 2136 C HN 0.507 nan 8.230 nan 0.000 0.477 2137 T N 0.548 115.036 114.554 -0.111 0.000 2.708 2137 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 2137 T C 1.813 176.396 174.700 -0.193 0.000 1.037 2137 T CA 2.140 64.169 62.100 -0.118 0.000 1.146 2137 T CB -0.546 68.274 68.868 -0.079 0.000 0.865 2137 T HN 0.589 nan 8.240 nan 0.000 0.435 2138 T N 2.146 116.484 114.554 -0.359 0.000 2.635 2138 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 2138 T C 2.388 176.971 174.700 -0.195 0.000 1.040 2138 T CA 1.385 63.274 62.100 -0.352 0.000 1.156 2138 T CB -0.701 67.842 68.868 -0.541 0.000 0.863 2138 T HN 0.446 nan 8.240 nan 0.000 0.430 2139 A N 1.135 123.858 122.820 -0.162 0.000 1.892 2139 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 2139 A C 2.348 179.883 177.584 -0.082 0.000 1.188 2139 A CA 1.546 53.522 52.037 -0.102 0.000 0.631 2139 A CB -0.990 17.963 19.000 -0.079 0.000 0.822 2139 A HN 0.490 nan 8.150 nan 0.000 0.447 2140 L N -0.781 120.395 121.223 -0.079 0.000 2.017 2140 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 2140 L C 2.577 179.408 176.870 -0.064 0.000 1.073 2140 L CA 1.232 56.036 54.840 -0.059 0.000 0.745 2140 L CB -0.599 41.433 42.059 -0.045 0.000 0.894 2140 L HN 0.260 nan 8.230 nan 0.000 0.432 2141 V N -0.254 119.615 119.914 -0.075 0.000 2.295 2141 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 2141 V C 2.415 178.467 176.094 -0.069 0.000 1.049 2141 V CA 1.980 64.238 62.300 -0.069 0.000 1.024 2141 V CB -0.400 31.380 31.823 -0.072 0.000 0.648 2141 V HN 0.413 nan 8.190 nan 0.000 0.447 2142 E N -0.230 119.924 120.200 -0.076 0.000 2.077 2142 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 2142 E C 2.271 178.834 176.600 -0.062 0.000 0.989 2142 E CA 1.287 57.648 56.400 -0.066 0.000 0.800 2142 E CB -0.371 29.288 29.700 -0.069 0.000 0.746 2142 E HN 0.584 nan 8.360 nan 0.000 0.452 2143 A N 0.941 123.723 122.820 -0.063 0.000 1.883 2143 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 2143 A C 2.370 179.911 177.584 -0.071 0.000 1.186 2143 A CA 1.871 53.873 52.037 -0.060 0.000 0.624 2143 A CB -0.863 18.105 19.000 -0.054 0.000 0.822 2143 A HN 0.344 nan 8.150 nan 0.000 0.444 2144 A N -0.702 122.072 122.820 -0.076 0.000 1.933 2144 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 2144 A C 2.064 179.588 177.584 -0.099 0.000 1.175 2144 A CA 2.231 54.211 52.037 -0.095 0.000 0.628 2144 A CB -0.373 18.576 19.000 -0.085 0.000 0.814 2144 A HN 0.417 nan 8.150 nan 0.000 0.444 2145 K N 0.444 120.797 120.400 -0.079 0.000 2.097 2145 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 2145 K C 2.358 178.918 176.600 -0.067 0.000 1.049 2145 K CA 1.663 57.908 56.287 -0.069 0.000 0.933 2145 K CB -0.284 32.183 32.500 -0.055 0.000 0.717 2145 K HN 0.620 nan 8.250 nan 0.000 0.442 2146 S N 0.033 115.695 115.700 -0.065 0.000 2.461 2146 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 2146 S C 1.751 176.313 174.600 -0.064 0.000 1.005 2146 S CA 0.812 58.978 58.200 -0.056 0.000 0.942 2146 S CB -0.415 62.757 63.200 -0.047 0.000 0.776 2146 S HN 0.408 nan 8.310 nan 0.000 0.514 2147 I N -1.771 118.745 120.570 -0.090 0.000 3.883 2147 I HA 0.569 4.739 4.170 -0.000 0.000 0.326 2147 I C 1.344 177.374 176.117 -0.145 0.000 1.283 2147 I CA 0.383 61.615 61.300 -0.112 0.000 1.161 2147 I CB -0.247 37.672 38.000 -0.136 0.000 1.012 2147 I HN 0.286 nan 8.210 nan 0.000 0.421 2148 G N 1.377 110.102 108.800 -0.126 0.000 2.160 2148 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 2148 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 2148 G C 0.454 175.269 174.900 -0.141 0.000 1.008 2148 G CA 0.110 45.146 45.100 -0.107 0.000 0.724 2148 G HN 1.019 nan 8.290 nan 0.000 0.514 2149 A N 0.194 122.871 122.820 -0.238 0.000 2.425 2149 A HA 0.678 4.998 4.320 -0.000 0.000 0.249 2149 A C 1.049 178.562 177.584 -0.119 0.000 1.084 2149 A CA 1.051 52.937 52.037 -0.252 0.000 0.781 2149 A CB 0.360 19.128 19.000 -0.386 0.000 1.019 2149 A HN 1.862 nan 8.150 nan 0.000 0.490 2150 T N 1.208 115.727 114.554 -0.057 0.000 2.799 2150 T HA 0.471 4.821 4.350 -0.000 0.000 0.296 2150 T C 0.022 174.625 174.700 -0.162 0.000 0.947 2150 T CA 0.188 62.230 62.100 -0.097 0.000 1.141 2150 T CB -0.278 68.561 68.868 -0.049 0.000 0.891 2150 T HN 0.575 nan 8.240 nan 0.000 0.533 2151 T N 5.327 119.718 114.554 -0.272 0.000 2.861 2151 T HA 0.428 4.778 4.350 -0.000 0.000 0.287 2151 T C -0.899 173.551 174.700 -0.417 0.000 1.003 2151 T CA -0.762 61.190 62.100 -0.247 0.000 0.977 2151 T CB 0.899 69.686 68.868 -0.135 0.000 0.996 2151 T HN 0.727 nan 8.240 nan 0.000 0.448 2152 H N 0.978 120.055 119.070 0.011 0.000 2.524 2152 H HA 0.623 5.179 4.556 -0.000 0.000 0.353 2152 H C -0.908 174.426 175.328 0.010 0.000 1.136 2152 H CA -0.620 55.441 56.048 0.022 0.000 1.193 2152 H CB 1.957 31.735 29.762 0.028 0.000 1.558 2152 H HN 0.261 nan 8.280 nan 0.000 0.515 2153 V N 1.980 121.969 119.914 0.125 0.000 2.487 2153 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 2153 V C 0.486 176.620 176.094 0.067 0.000 1.028 2153 V CA -0.150 62.190 62.300 0.067 0.000 0.860 2153 V CB 1.360 33.206 31.823 0.038 0.000 0.991 2153 V HN 1.122 nan 8.190 nan 0.000 0.427 2154 G N 3.360 112.186 108.800 0.043 0.000 2.399 2154 G HA2 0.358 4.318 3.960 -0.000 0.000 0.256 2154 G HA3 0.358 4.318 3.960 -0.000 0.000 0.256 2154 G C -1.425 173.478 174.900 0.004 0.000 1.236 2154 G CA -0.371 44.746 45.100 0.029 0.000 0.914 2154 G HN 0.511 nan 8.290 nan 0.000 0.482 2155 V N 0.816 120.722 119.914 -0.013 0.000 2.567 2155 V HA 0.653 4.773 4.120 -0.000 0.000 0.289 2155 V C 0.275 176.319 176.094 -0.082 0.000 1.049 2155 V CA -0.042 62.232 62.300 -0.043 0.000 0.969 2155 V CB 1.373 33.168 31.823 -0.046 0.000 0.995 2155 V HN 0.771 nan 8.190 nan 0.000 0.471 2156 T N 3.546 118.039 114.554 -0.103 0.000 2.841 2156 T HA 0.644 4.994 4.350 -0.000 0.000 0.283 2156 T C -0.110 174.471 174.700 -0.199 0.000 1.000 2156 T CA -0.282 61.739 62.100 -0.133 0.000 0.977 2156 T CB 1.612 70.434 68.868 -0.076 0.000 0.979 2156 T HN 0.910 nan 8.240 nan 0.000 0.446 2157 A N 2.332 124.980 122.820 -0.288 0.000 2.309 2157 A HA 0.629 4.949 4.320 -0.000 0.000 0.290 2157 A C 0.349 177.885 177.584 -0.079 0.000 1.206 2157 A CA -0.445 51.389 52.037 -0.338 0.000 0.850 2157 A CB 0.391 19.012 19.000 -0.630 0.000 1.118 2157 A HN 0.635 nan 8.150 nan 0.000 0.523 2158 S N 2.096 117.760 115.700 -0.061 0.000 2.498 2158 S HA 0.536 5.006 4.470 -0.000 0.000 0.324 2158 S C -0.252 174.364 174.600 0.027 0.000 1.071 2158 S CA -0.337 57.864 58.200 0.002 0.000 1.113 2158 S CB 0.467 63.660 63.200 -0.013 0.000 0.976 2158 S HN 0.982 nan 8.310 nan 0.000 0.462 2159 S N 3.399 119.115 115.700 0.028 0.000 2.472 2159 S HA 0.351 4.821 4.470 -0.000 0.000 0.303 2159 S C 0.429 175.014 174.600 -0.025 0.000 1.099 2159 S CA -0.625 57.569 58.200 -0.009 0.000 1.077 2159 S CB 1.188 64.316 63.200 -0.121 0.000 1.031 2159 S HN 0.721 nan 8.310 nan 0.000 0.487 2160 D N 2.281 122.676 120.400 -0.009 0.000 2.378 2160 D HA 0.061 4.701 4.640 -0.000 0.000 0.222 2160 D C 0.836 177.123 176.300 -0.022 0.000 0.980 2160 D CA 1.005 55.003 54.000 -0.003 0.000 0.907 2160 D CB 0.115 40.928 40.800 0.022 0.000 0.899 2160 D HN 0.724 nan 8.370 nan 0.000 0.527 2161 T N -4.149 110.358 114.554 -0.077 0.000 2.906 2161 T HA 0.306 4.656 4.350 -0.000 0.000 0.295 2161 T C 0.429 175.069 174.700 -0.100 0.000 1.075 2161 T CA -0.903 61.164 62.100 -0.055 0.000 1.005 2161 T CB 1.224 70.047 68.868 -0.074 0.000 1.136 2161 T HN -0.112 nan 8.240 nan 0.000 0.498 2162 F N -0.050 119.769 119.950 -0.219 0.000 2.473 2162 F HA 0.237 4.764 4.527 0.000 0.000 0.294 2162 F C 0.859 176.315 175.800 -0.574 0.000 1.103 2162 F CA 0.547 58.300 58.000 -0.412 0.000 1.442 2162 F CB -0.006 38.704 39.000 -0.484 0.000 1.097 2162 F HN 0.661 nan 8.300 nan 0.000 0.547 2163 Y N 0.822 121.088 120.300 -0.057 0.000 2.414 2163 Y HA 0.172 4.722 4.550 -0.000 0.000 0.248 2163 Y C -0.456 175.267 175.900 -0.293 0.000 1.054 2163 Y CA 0.335 58.354 58.100 -0.135 0.000 1.156 2163 Y CB -1.997 36.465 38.460 0.004 0.000 1.051 2163 Y HN -0.237 nan 8.280 nan 0.000 0.485 2164 P HA -0.097 nan 4.420 nan 0.000 0.217 2164 P C 1.505 178.507 177.300 -0.497 0.000 1.150 2164 P CA 2.229 65.179 63.100 -0.249 0.000 0.832 2164 P CB -0.259 31.355 31.700 -0.143 0.000 0.787 2165 G N -0.080 108.323 108.800 -0.662 0.000 2.471 2165 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 2165 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 2165 G C 1.335 175.783 174.900 -0.753 0.000 1.125 2165 G CA 0.303 44.762 45.100 -1.069 0.000 0.775 2165 G HN 0.377 nan 8.290 nan 0.000 0.548 2166 Q N -0.512 118.821 119.800 -0.779 0.000 2.204 2166 Q HA 0.218 4.558 4.340 -0.000 0.000 0.209 2166 Q C 0.026 175.661 176.000 -0.609 0.000 0.861 2166 Q CA -0.301 54.778 55.803 -1.207 0.000 0.971 2166 Q CB 0.417 28.360 28.738 -1.324 0.000 1.095 2166 Q HN 0.535 nan 8.270 nan 0.000 0.486 2167 E N 1.572 121.549 120.200 -0.372 0.000 2.269 2167 E HA -0.245 4.105 4.350 -0.000 0.000 0.223 2167 E C -0.845 175.566 176.600 -0.315 0.000 1.244 2167 E CA 0.180 56.416 56.400 -0.273 0.000 0.713 2167 E CB -0.361 29.332 29.700 -0.011 0.000 1.178 2167 E HN 0.356 nan 8.360 nan 0.000 0.370 2168 R N -0.107 120.198 120.500 -0.327 0.000 2.308 2168 R HA 0.164 4.504 4.340 -0.000 0.000 0.305 2168 R C 0.399 176.556 176.300 -0.240 0.000 1.053 2168 R CA -0.065 55.937 56.100 -0.165 0.000 0.957 2168 R CB 0.446 30.714 30.300 -0.054 0.000 1.022 2168 R HN 0.202 nan 8.270 nan 0.000 0.461 2169 Y N -0.234 120.100 120.300 0.056 0.000 2.481 2169 Y HA 0.071 4.621 4.550 -0.000 0.000 0.258 2169 Y C 0.208 176.137 175.900 0.049 0.000 1.103 2169 Y CA -0.097 58.030 58.100 0.046 0.000 1.287 2169 Y CB 0.561 39.038 38.460 0.028 0.000 1.108 2169 Y HN 0.487 nan 8.280 nan 0.000 0.529 2170 D N 1.483 121.997 120.400 0.190 0.000 2.545 2170 D HA 0.108 4.748 4.640 -0.000 0.000 0.227 2170 D C 0.183 176.540 176.300 0.094 0.000 1.150 2170 D CA 0.357 54.438 54.000 0.136 0.000 1.046 2170 D CB -0.178 40.708 40.800 0.143 0.000 1.098 2170 D HN 0.228 nan 8.370 nan 0.000 0.502 2171 T N -2.871 111.709 114.554 0.042 0.000 2.838 2171 T HA 0.159 4.509 4.350 -0.000 0.000 0.292 2171 T C 0.880 175.576 174.700 -0.007 0.000 1.113 2171 T CA -0.861 61.214 62.100 -0.041 0.000 1.008 2171 T CB 0.731 69.561 68.868 -0.063 0.000 1.259 2171 T HN 0.071 nan 8.240 nan 0.000 0.520 2172 Y N 1.742 121.972 120.300 -0.117 0.000 2.151 2172 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 2172 Y C 2.596 178.475 175.900 -0.035 0.000 1.166 2172 Y CA 2.697 60.753 58.100 -0.074 0.000 1.163 2172 Y CB -0.516 37.892 38.460 -0.087 0.000 0.974 2172 Y HN 0.752 nan 8.280 nan 0.000 0.511 2173 S N -1.525 114.061 115.700 -0.190 0.000 2.483 2173 S HA 0.248 4.718 4.470 -0.000 0.000 0.221 2173 S C 1.891 176.427 174.600 -0.107 0.000 1.030 2173 S CA 0.507 58.563 58.200 -0.241 0.000 0.925 2173 S CB -0.288 62.871 63.200 -0.067 0.000 0.795 2173 S HN 0.998 nan 8.310 nan 0.000 0.511 2174 G N 2.069 110.854 108.800 -0.026 0.000 2.168 2174 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.263 2174 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.263 2174 G C 0.075 175.068 174.900 0.156 0.000 0.977 2174 G CA 0.524 45.667 45.100 0.070 0.000 0.659 2174 G HN 0.891 nan 8.290 nan 0.000 0.533 2175 R N -1.120 119.432 120.500 0.086 0.000 2.758 2175 R HA 0.837 5.177 4.340 -0.000 0.000 0.265 2175 R C -0.840 175.483 176.300 0.038 0.000 1.016 2175 R CA -1.042 55.133 56.100 0.124 0.000 1.040 2175 R CB 2.015 32.367 30.300 0.087 0.000 1.152 2175 R HN 0.170 nan 8.270 nan 0.000 0.503 2176 V N 1.511 121.465 119.914 0.067 0.000 2.588 2176 V HA 0.197 4.317 4.120 -0.000 0.000 0.304 2176 V C -0.063 176.096 176.094 0.109 0.000 1.042 2176 V CA -1.094 61.205 62.300 -0.001 0.000 0.877 2176 V CB 1.979 33.704 31.823 -0.163 0.000 0.996 2176 V HN 0.626 nan 8.190 nan 0.000 0.425 2177 V N 5.957 125.954 119.914 0.139 0.000 2.814 2177 V HA 0.006 4.126 4.120 -0.000 0.000 0.307 2177 V C 1.934 178.137 176.094 0.180 0.000 1.089 2177 V CA 0.920 63.323 62.300 0.170 0.000 1.212 2177 V CB 0.767 32.719 31.823 0.215 0.000 0.912 2177 V HN 0.987 nan 8.190 nan 0.000 0.497 2178 R N 3.512 124.091 120.500 0.132 0.000 2.159 2178 R HA -0.301 4.039 4.340 -0.000 0.000 0.249 2178 R C 1.978 178.325 176.300 0.078 0.000 1.136 2178 R CA 2.901 59.059 56.100 0.096 0.000 0.951 2178 R CB -0.697 29.648 30.300 0.074 0.000 0.876 2178 R HN 1.011 nan 8.270 nan 0.000 0.440 2179 H N -1.088 117.968 119.070 -0.022 0.000 2.422 2179 H HA -0.142 4.414 4.556 -0.000 0.000 0.298 2179 H C 1.118 176.258 175.328 -0.313 0.000 1.098 2179 H CA 2.278 58.212 56.048 -0.189 0.000 1.315 2179 H CB -0.139 29.461 29.762 -0.270 0.000 1.382 2179 H HN 0.309 nan 8.280 nan 0.000 0.523 2180 F N -0.170 119.764 119.950 -0.028 0.000 2.678 2180 F HA 0.248 4.775 4.527 0.000 0.000 0.305 2180 F C 0.848 176.618 175.800 -0.050 0.000 1.090 2180 F CA -0.310 57.646 58.000 -0.073 0.000 1.272 2180 F CB 0.353 39.363 39.000 0.017 0.000 1.060 2180 F HN -0.180 nan 8.300 nan 0.000 0.576 2181 K N 0.888 121.356 120.400 0.114 0.000 2.419 2181 K HA 0.208 4.528 4.320 -0.000 0.000 0.282 2181 K C 1.109 177.734 176.600 0.042 0.000 1.056 2181 K CA 0.934 57.294 56.287 0.120 0.000 1.035 2181 K CB 0.018 32.582 32.500 0.107 0.000 0.921 2181 K HN 0.407 nan 8.250 nan 0.000 0.472 2182 G N 1.989 110.834 108.800 0.075 0.000 2.159 2182 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.256 2182 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.256 2182 G C 0.860 175.700 174.900 -0.099 0.000 0.977 2182 G CA 0.740 45.838 45.100 -0.004 0.000 0.652 2182 G HN 0.688 nan 8.290 nan 0.000 0.531 2183 S N -0.684 114.963 115.700 -0.088 0.000 2.387 2183 S HA 0.079 4.549 4.470 -0.000 0.000 0.226 2183 S C 2.264 176.681 174.600 -0.306 0.000 1.026 2183 S CA 1.556 59.581 58.200 -0.291 0.000 0.972 2183 S CB -0.253 62.925 63.200 -0.038 0.000 0.814 2183 S HN 0.621 nan 8.310 nan 0.000 0.477 2184 M N 1.609 121.260 119.600 0.085 0.000 2.086 2184 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 2184 M C 2.399 178.735 176.300 0.061 0.000 1.067 2184 M CA 2.215 57.656 55.300 0.234 0.000 1.116 2184 M CB -0.292 32.495 32.600 0.311 0.000 1.348 2184 M HN 0.557 nan 8.290 nan 0.000 0.407 2185 E N -0.066 120.132 120.200 -0.003 0.000 2.110 2185 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 2185 E C 1.814 178.362 176.600 -0.087 0.000 0.988 2185 E CA 1.335 57.718 56.400 -0.028 0.000 0.804 2185 E CB -0.035 29.649 29.700 -0.026 0.000 0.745 2185 E HN 0.525 nan 8.360 nan 0.000 0.458 2186 E N -0.057 120.003 120.200 -0.232 0.000 2.031 2186 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 2186 E C 1.854 178.363 176.600 -0.151 0.000 0.994 2186 E CA 1.464 57.680 56.400 -0.306 0.000 0.800 2186 E CB -0.340 29.006 29.700 -0.589 0.000 0.752 2186 E HN 0.517 nan 8.360 nan 0.000 0.447 2187 W N 1.604 122.896 121.300 -0.013 0.000 2.363 2187 W HA -0.204 4.456 4.660 -0.000 0.000 0.296 2187 W C 2.560 179.041 176.519 -0.065 0.000 1.212 2187 W CA 0.634 57.948 57.345 -0.051 0.000 1.260 2187 W CB -0.225 29.171 29.460 -0.106 0.000 1.131 2187 W HN 0.173 nan 8.180 nan 0.000 0.530 2188 Q N 0.602 120.484 119.800 0.137 0.000 2.079 2188 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 2188 Q C 2.444 178.479 176.000 0.058 0.000 0.974 2188 Q CA 1.482 57.326 55.803 0.068 0.000 0.840 2188 Q CB -0.965 27.796 28.738 0.038 0.000 0.898 2188 Q HN 0.293 nan 8.270 nan 0.000 0.430 2189 A N 1.416 124.260 122.820 0.040 0.000 1.978 2189 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 2189 A C 1.989 179.601 177.584 0.047 0.000 1.170 2189 A CA 1.442 53.495 52.037 0.028 0.000 0.636 2189 A CB -0.514 18.485 19.000 -0.001 0.000 0.810 2189 A HN 0.352 nan 8.150 nan 0.000 0.448 2190 M N -1.316 118.335 119.600 0.084 0.000 2.563 2190 M HA 0.179 4.659 4.480 -0.000 0.000 0.231 2190 M C 1.335 177.684 176.300 0.083 0.000 1.136 2190 M CA 0.687 56.047 55.300 0.101 0.000 1.026 2190 M CB 0.181 32.890 32.600 0.181 0.000 1.597 2190 M HN 0.622 nan 8.290 nan 0.000 0.495 2191 G N 0.598 109.439 108.800 0.069 0.000 2.179 2191 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 2191 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 2191 G C 0.142 175.061 174.900 0.032 0.000 0.977 2191 G CA -0.058 45.074 45.100 0.053 0.000 0.641 2191 G HN 0.332 nan 8.290 nan 0.000 0.533 2192 V N 1.603 121.534 119.914 0.029 0.000 2.617 2192 V HA 0.127 4.247 4.120 -0.000 0.000 0.304 2192 V C 1.863 177.908 176.094 -0.081 0.000 1.040 2192 V CA 1.377 63.651 62.300 -0.043 0.000 1.149 2192 V CB 1.073 32.849 31.823 -0.077 0.000 0.914 2192 V HN 0.407 nan 8.190 nan 0.000 0.487 2193 M N 3.046 122.582 119.600 -0.107 0.000 2.357 2193 M HA 0.119 4.599 4.480 -0.000 0.000 0.266 2193 M C 0.638 176.836 176.300 -0.169 0.000 1.095 2193 M CA 0.986 56.209 55.300 -0.128 0.000 1.156 2193 M CB 0.037 32.581 32.600 -0.094 0.000 1.365 2193 M HN 0.965 nan 8.290 nan 0.000 0.447 2194 N N -1.678 116.902 118.700 -0.199 0.000 3.046 2194 N HA 0.172 4.912 4.740 -0.000 0.000 0.243 2194 N C -1.994 173.363 175.510 -0.255 0.000 1.452 2194 N CA -0.655 52.280 53.050 -0.191 0.000 0.882 2194 N CB 1.159 39.591 38.487 -0.091 0.000 1.425 2194 N HN -0.111 nan 8.380 nan 0.000 0.517 2195 Y N -0.164 120.085 120.300 -0.085 0.000 2.377 2195 Y HA 0.477 5.027 4.550 -0.000 0.000 0.339 2195 Y C 0.321 176.166 175.900 -0.092 0.000 1.011 2195 Y CA -0.169 57.867 58.100 -0.108 0.000 1.093 2195 Y CB 1.530 39.906 38.460 -0.139 0.000 1.201 2195 Y HN 0.785 nan 8.280 nan 0.000 0.455 2196 E N 0.047 120.312 120.200 0.108 0.000 2.391 2196 E HA 0.523 4.873 4.350 -0.000 0.000 0.256 2196 E C -0.953 175.671 176.600 0.040 0.000 0.975 2196 E CA -0.725 55.710 56.400 0.058 0.000 0.881 2196 E CB 1.143 30.866 29.700 0.038 0.000 1.728 2196 E HN 0.445 nan 8.360 nan 0.000 0.446 2197 M N -0.585 119.035 119.600 0.033 0.000 2.300 2197 M HA 0.339 4.819 4.480 -0.000 0.000 0.313 2197 M C -0.051 176.259 176.300 0.017 0.000 0.988 2197 M CA 0.249 55.562 55.300 0.023 0.000 1.012 2197 M CB 0.640 33.259 32.600 0.032 0.000 1.586 2197 M HN 0.510 nan 8.290 nan 0.000 0.562 2198 E N -0.613 119.596 120.200 0.014 0.000 2.500 2198 E HA 0.062 4.412 4.350 -0.000 0.000 0.217 2198 E C 1.826 178.424 176.600 -0.004 0.000 0.848 2198 E CA 0.549 56.953 56.400 0.006 0.000 1.217 2198 E CB 0.412 30.119 29.700 0.011 0.000 1.217 2198 E HN 0.307 nan 8.360 nan 0.000 0.573 2199 S N 0.945 116.644 115.700 -0.001 0.000 2.382 2199 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 2199 S C 2.240 176.835 174.600 -0.009 0.000 1.027 2199 S CA 1.005 59.201 58.200 -0.007 0.000 0.991 2199 S CB -0.358 62.839 63.200 -0.005 0.000 0.823 2199 S HN 0.237 nan 8.310 nan 0.000 0.469 2200 A N 1.851 124.669 122.820 -0.002 0.000 1.883 2200 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 2200 A C 2.460 180.051 177.584 0.010 0.000 1.186 2200 A CA 2.247 54.290 52.037 0.011 0.000 0.624 2200 A CB -1.718 17.294 19.000 0.019 0.000 0.822 2200 A HN 0.567 nan 8.150 nan 0.000 0.444 2201 T N -0.113 114.439 114.554 -0.003 0.000 2.701 2201 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 2201 T C 1.875 176.507 174.700 -0.113 0.000 1.040 2201 T CA 1.461 63.547 62.100 -0.024 0.000 1.147 2201 T CB -0.426 68.436 68.868 -0.010 0.000 0.865 2201 T HN 0.328 nan 8.240 nan 0.000 0.426 2202 L N 1.166 122.324 121.223 -0.107 0.000 1.970 2202 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 2202 L C 2.220 179.004 176.870 -0.144 0.000 1.071 2202 L CA 1.758 56.502 54.840 -0.160 0.000 0.751 2202 L CB -0.739 41.261 42.059 -0.099 0.000 0.889 2202 L HN 0.252 nan 8.230 nan 0.000 0.432 2203 L N -1.409 119.778 121.223 -0.060 0.000 2.083 2203 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 2203 L C 2.344 179.219 176.870 0.007 0.000 1.083 2203 L CA 1.667 56.499 54.840 -0.014 0.000 0.752 2203 L CB -1.181 40.891 42.059 0.021 0.000 0.899 2203 L HN 0.317 nan 8.230 nan 0.000 0.433 2204 T N 0.575 115.132 114.554 0.004 0.000 2.737 2204 T HA -0.191 4.159 4.350 -0.000 0.000 0.265 2204 T C 1.874 176.494 174.700 -0.133 0.000 1.038 2204 T CA 1.838 63.964 62.100 0.043 0.000 1.144 2204 T CB -0.220 68.698 68.868 0.082 0.000 0.866 2204 T HN 0.446 nan 8.240 nan 0.000 0.434 2205 M N 0.238 119.628 119.600 -0.350 0.000 2.229 2205 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 2205 M C 2.238 178.275 176.300 -0.438 0.000 1.063 2205 M CA 1.488 56.343 55.300 -0.741 0.000 1.114 2205 M CB -1.065 30.626 32.600 -1.516 0.000 1.387 2205 M HN 0.177 nan 8.290 nan 0.000 0.420 2206 C N 1.417 120.547 119.300 -0.283 0.000 2.489 2206 C HA 0.156 4.616 4.460 -0.000 0.000 0.279 2206 C C 3.291 178.268 174.990 -0.022 0.000 1.266 2206 C CA 1.011 59.944 59.018 -0.141 0.000 1.707 2206 C CB -1.197 26.490 27.740 -0.088 0.000 2.059 2206 C HN 0.763 nan 8.230 nan 0.000 0.481 2207 A N 1.070 123.918 122.820 0.047 0.000 2.024 2207 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 2207 A C 2.134 179.833 177.584 0.191 0.000 1.164 2207 A CA 2.223 54.363 52.037 0.171 0.000 0.643 2207 A CB -0.615 18.561 19.000 0.294 0.000 0.806 2207 A HN 0.734 nan 8.150 nan 0.000 0.451 2208 S N -1.910 113.791 115.700 0.003 0.000 2.556 2208 S HA 0.165 4.635 4.470 -0.000 0.000 0.216 2208 S C 0.955 175.518 174.600 -0.061 0.000 0.970 2208 S CA 0.267 58.378 58.200 -0.147 0.000 0.912 2208 S CB 0.068 62.956 63.200 -0.520 0.000 0.790 2208 S HN 0.653 nan 8.310 nan 0.000 0.504 2209 Q N 0.262 120.046 119.800 -0.027 0.000 2.118 2209 Q HA 0.360 4.700 4.340 -0.000 0.000 0.219 2209 Q C 0.747 176.765 176.000 0.030 0.000 0.794 2209 Q CA 0.071 55.873 55.803 -0.002 0.000 1.035 2209 Q CB 1.075 29.798 28.738 -0.025 0.000 1.177 2209 Q HN 0.627 nan 8.270 nan 0.000 0.478 2210 G N 1.485 110.314 108.800 0.048 0.000 2.147 2210 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 2210 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 2210 G C -0.087 174.857 174.900 0.072 0.000 1.005 2210 G CA 0.092 45.229 45.100 0.062 0.000 0.713 2210 G HN 0.251 nan 8.290 nan 0.000 0.515 2211 L N -0.153 121.117 121.223 0.080 0.000 2.322 2211 L HA 0.594 4.934 4.340 -0.000 0.000 0.279 2211 L C 1.054 178.004 176.870 0.133 0.000 1.036 2211 L CA -1.074 53.846 54.840 0.134 0.000 0.807 2211 L CB 1.178 43.351 42.059 0.190 0.000 1.226 2211 L HN 0.058 nan 8.230 nan 0.000 0.433 2212 R N 2.024 122.612 120.500 0.147 0.000 2.265 2212 R HA 0.681 5.021 4.340 -0.000 0.000 0.314 2212 R C -0.578 175.823 176.300 0.168 0.000 1.053 2212 R CA -0.356 55.818 56.100 0.123 0.000 0.931 2212 R CB 1.266 31.613 30.300 0.080 0.000 1.024 2212 R HN 0.710 nan 8.270 nan 0.000 0.457 2213 A N 1.656 124.551 122.820 0.125 0.000 2.435 2213 A HA 0.823 5.143 4.320 -0.000 0.000 0.304 2213 A C -0.630 176.999 177.584 0.075 0.000 1.064 2213 A CA -0.657 51.455 52.037 0.124 0.000 0.727 2213 A CB 2.185 21.234 19.000 0.082 0.000 1.284 2213 A HN 0.754 nan 8.150 nan 0.000 0.415 2214 G N -0.369 108.471 108.800 0.067 0.000 2.642 2214 G HA2 0.691 4.651 3.960 -0.000 0.000 0.293 2214 G HA3 0.691 4.651 3.960 -0.000 0.000 0.293 2214 G C -1.242 173.678 174.900 0.034 0.000 1.341 2214 G CA -0.519 44.602 45.100 0.035 0.000 0.916 2214 G HN 1.253 nan 8.290 nan 0.000 0.474 2215 M N 1.534 121.145 119.600 0.019 0.000 2.271 2215 M HA 0.711 5.191 4.480 -0.000 0.000 0.285 2215 M C -1.965 174.341 176.300 0.010 0.000 1.059 2215 M CA -0.767 54.543 55.300 0.017 0.000 0.940 2215 M CB 1.995 34.603 32.600 0.014 0.000 1.636 2215 M HN 0.821 nan 8.290 nan 0.000 0.460 2216 V N 4.069 123.990 119.914 0.013 0.000 2.888 2216 V HA 1.043 5.163 4.120 -0.000 0.000 0.309 2216 V C -1.758 174.346 176.094 0.016 0.000 1.114 2216 V CA 0.220 62.526 62.300 0.011 0.000 0.940 2216 V CB 1.991 33.816 31.823 0.004 0.000 1.021 2216 V HN 1.272 nan 8.190 nan 0.000 0.426 2217 A N 3.813 126.645 122.820 0.019 0.000 2.549 2217 A HA 0.914 5.234 4.320 -0.000 0.000 0.297 2217 A C -0.213 177.390 177.584 0.031 0.000 1.061 2217 A CA -0.149 51.902 52.037 0.024 0.000 0.690 2217 A CB 1.869 20.882 19.000 0.022 0.000 1.287 2217 A HN 1.642 nan 8.150 nan 0.000 0.402 2218 G N 0.123 108.942 108.800 0.033 0.000 2.356 2218 G HA2 0.519 4.479 3.960 -0.000 0.000 0.298 2218 G HA3 0.519 4.479 3.960 -0.000 0.000 0.298 2218 G C -0.425 174.495 174.900 0.033 0.000 1.145 2218 G CA -0.327 44.797 45.100 0.040 0.000 0.850 2218 G HN 0.904 nan 8.290 nan 0.000 0.487 2219 V N 3.451 123.386 119.914 0.035 0.000 2.470 2219 V HA 0.099 4.219 4.120 -0.000 0.000 0.276 2219 V C 1.273 177.380 176.094 0.022 0.000 1.040 2219 V CA 0.123 62.438 62.300 0.024 0.000 1.008 2219 V CB 0.737 32.571 31.823 0.019 0.000 0.990 2219 V HN 0.769 nan 8.190 nan 0.000 0.477 2220 I N 3.322 123.906 120.570 0.024 0.000 4.057 2220 I HA 0.538 4.708 4.170 -0.000 0.000 0.334 2220 I C 0.208 176.341 176.117 0.026 0.000 1.308 2220 I CA 0.286 61.601 61.300 0.025 0.000 1.125 2220 I CB 0.975 38.994 38.000 0.031 0.000 1.034 2220 I HN 0.405 nan 8.210 nan 0.000 0.401 2221 V N 1.189 121.116 119.914 0.022 0.000 3.077 2221 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 2221 V C -1.777 174.321 176.094 0.006 0.000 1.276 2221 V CA -0.616 61.696 62.300 0.019 0.000 0.993 2221 V CB 2.348 34.189 31.823 0.029 0.000 1.076 2221 V HN 0.347 nan 8.190 nan 0.000 0.434 2222 N N 4.770 123.472 118.700 0.003 0.000 2.444 2222 N HA 0.373 5.113 4.740 -0.000 0.000 0.262 2222 N C 0.565 176.079 175.510 0.006 0.000 0.974 2222 N CA -0.564 52.482 53.050 -0.008 0.000 0.933 2222 N CB 1.627 40.103 38.487 -0.018 0.000 1.137 2222 N HN 0.595 nan 8.380 nan 0.000 0.498 2223 R N 1.040 121.548 120.500 0.012 0.000 2.280 2223 R HA -0.028 4.312 4.340 -0.000 0.000 0.207 2223 R C 1.364 177.688 176.300 0.039 0.000 1.043 2223 R CA 0.746 56.867 56.100 0.035 0.000 1.006 2223 R CB -0.606 29.738 30.300 0.073 0.000 0.885 2223 R HN 0.679 nan 8.270 nan 0.000 0.467 2224 T N -3.084 111.483 114.554 0.023 0.000 3.160 2224 T HA 0.024 4.374 4.350 -0.000 0.000 0.257 2224 T C 1.498 176.212 174.700 0.023 0.000 1.147 2224 T CA 0.627 62.741 62.100 0.024 0.000 1.064 2224 T CB 0.240 69.116 68.868 0.013 0.000 0.949 2224 T HN 0.211 nan 8.240 nan 0.000 0.526 2225 Q N -0.521 119.293 119.800 0.023 0.000 2.422 2225 Q HA 0.384 4.724 4.340 -0.000 0.000 0.255 2225 Q C 0.354 176.371 176.000 0.029 0.000 0.864 2225 Q CA 0.061 55.877 55.803 0.023 0.000 0.968 2225 Q CB 0.971 29.720 28.738 0.018 0.000 1.130 2225 Q HN 0.480 nan 8.270 nan 0.000 0.556 2226 Q N -1.121 118.699 119.800 0.033 0.000 2.527 2226 Q HA 0.173 4.513 4.340 -0.000 0.000 0.280 2226 Q C -0.695 175.329 176.000 0.040 0.000 0.977 2226 Q CA -0.155 55.671 55.803 0.039 0.000 0.837 2226 Q CB 1.903 30.662 28.738 0.035 0.000 1.454 2226 Q HN 0.012 nan 8.270 nan 0.000 0.387 2227 E N 0.535 120.766 120.200 0.051 0.000 2.162 2227 E HA 0.121 4.471 4.350 -0.000 0.000 0.193 2227 E C 0.093 176.721 176.600 0.047 0.000 0.953 2227 E CA 0.486 56.909 56.400 0.038 0.000 0.849 2227 E CB 0.680 30.423 29.700 0.071 0.000 0.810 2227 E HN 0.313 nan 8.360 nan 0.000 0.470 2228 I N 2.720 123.342 120.570 0.086 0.000 2.354 2228 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 2228 I C -2.332 173.837 176.117 0.087 0.000 0.989 2228 I CA -3.157 58.215 61.300 0.120 0.000 1.188 2228 I CB 0.656 38.738 38.000 0.137 0.000 1.342 2228 I HN -0.210 nan 8.210 nan 0.000 0.457 2229 P HA 0.081 nan 4.420 nan 0.000 0.267 2229 P C 0.052 177.380 177.300 0.048 0.000 1.200 2229 P CA -0.083 63.055 63.100 0.064 0.000 0.772 2229 P CB 0.544 32.287 31.700 0.072 0.000 0.855 2240 H N 2.044 121.107 119.070 -0.012 0.000 2.357 2240 H HA 0.350 4.906 4.556 -0.000 0.000 0.301 2240 H C 2.270 177.590 175.328 -0.014 0.000 1.082 2240 H CA 1.801 57.842 56.048 -0.013 0.000 1.342 2240 H CB -0.522 29.233 29.762 -0.010 0.000 1.389 2240 H HN 0.496 nan 8.280 nan 0.000 0.511 2241 A N 0.081 122.973 122.820 0.120 0.000 1.930 2241 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 2241 A C 2.753 180.354 177.584 0.029 0.000 1.175 2241 A CA 1.548 53.617 52.037 0.052 0.000 0.627 2241 A CB -0.776 18.250 19.000 0.043 0.000 0.815 2241 A HN 0.241 nan 8.150 nan 0.000 0.443 2242 V N -0.113 119.819 119.914 0.030 0.000 2.295 2242 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 2242 V C 2.474 178.572 176.094 0.007 0.000 1.049 2242 V CA 2.418 64.724 62.300 0.010 0.000 1.024 2242 V CB -0.674 31.148 31.823 -0.001 0.000 0.648 2242 V HN 0.536 nan 8.190 nan 0.000 0.447 2243 K N -0.235 120.177 120.400 0.020 0.000 2.063 2243 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 2243 K C 1.931 178.524 176.600 -0.012 0.000 1.048 2243 K CA 1.641 57.934 56.287 0.009 0.000 0.928 2243 K CB -0.311 32.207 32.500 0.031 0.000 0.713 2243 K HN 0.413 nan 8.250 nan 0.000 0.442 2244 I N -0.531 120.029 120.570 -0.017 0.000 2.202 2244 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 2244 I C 2.145 178.247 176.117 -0.024 0.000 1.091 2244 I CA 0.735 62.015 61.300 -0.033 0.000 1.368 2244 I CB -0.170 37.804 38.000 -0.042 0.000 1.058 2244 I HN 0.000 nan 8.210 nan 0.000 0.410 2245 V N 0.390 120.296 119.914 -0.013 0.000 2.407 2245 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 2245 V C 2.360 178.446 176.094 -0.013 0.000 1.055 2245 V CA 1.721 64.015 62.300 -0.010 0.000 1.049 2245 V CB 0.102 31.924 31.823 -0.000 0.000 0.662 2245 V HN 0.215 nan 8.190 nan 0.000 0.455 2246 V N 0.009 119.914 119.914 -0.014 0.000 2.307 2246 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 2246 V C 2.513 178.596 176.094 -0.018 0.000 1.045 2246 V CA 2.218 64.510 62.300 -0.015 0.000 1.024 2246 V CB -0.630 31.185 31.823 -0.014 0.000 0.651 2246 V HN 0.686 nan 8.190 nan 0.000 0.449 2247 E N 0.943 121.130 120.200 -0.022 0.000 2.110 2247 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 2247 E C 2.064 178.646 176.600 -0.030 0.000 0.988 2247 E CA 1.650 58.034 56.400 -0.026 0.000 0.804 2247 E CB -0.439 29.242 29.700 -0.032 0.000 0.745 2247 E HN 0.503 nan 8.360 nan 0.000 0.458 2248 A N 0.885 123.687 122.820 -0.031 0.000 1.902 2248 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 2248 A C 2.478 180.044 177.584 -0.031 0.000 1.181 2248 A CA 2.002 54.018 52.037 -0.035 0.000 0.623 2248 A CB -1.093 17.886 19.000 -0.035 0.000 0.818 2248 A HN 0.398 nan 8.150 nan 0.000 0.443 2249 A N -0.230 122.574 122.820 -0.026 0.000 1.892 2249 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 2249 A C 2.209 179.778 177.584 -0.026 0.000 1.188 2249 A CA 2.032 54.054 52.037 -0.026 0.000 0.631 2249 A CB -0.549 18.438 19.000 -0.022 0.000 0.822 2249 A HN 0.537 nan 8.150 nan 0.000 0.447 2250 R N -0.643 119.843 120.500 -0.023 0.000 2.096 2250 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 2250 R C 2.279 178.565 176.300 -0.023 0.000 1.139 2250 R CA 2.068 58.155 56.100 -0.021 0.000 0.952 2250 R CB -0.205 30.083 30.300 -0.020 0.000 0.854 2250 R HN 0.532 nan 8.270 nan 0.000 0.436 2251 R N -0.481 120.002 120.500 -0.027 0.000 2.276 2251 R HA 0.032 4.372 4.340 -0.000 0.000 0.203 2251 R C 1.494 177.776 176.300 -0.029 0.000 1.017 2251 R CA 0.626 56.709 56.100 -0.029 0.000 1.010 2251 R CB 0.161 30.438 30.300 -0.038 0.000 0.900 2251 R HN 0.246 nan 8.270 nan 0.000 0.469 2252 L N 0.200 121.405 121.223 -0.030 0.000 2.640 2252 L HA 0.194 4.534 4.340 -0.000 0.000 0.230 2252 L C 0.492 177.347 176.870 -0.026 0.000 1.123 2252 L CA -0.204 54.619 54.840 -0.028 0.000 0.900 2252 L CB 0.163 42.203 42.059 -0.031 0.000 1.146 2252 L HN 0.079 nan 8.230 nan 0.000 0.484 2253 L N 0.000 121.209 121.223 -0.024 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 2253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502