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_c 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 0.000 174.593 174.600 -0.011 0.000 1.055 2004 S CA 0.000 58.185 58.200 -0.026 0.000 1.107 2004 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 2005 D N 1.316 121.716 120.400 -0.000 0.000 2.346 2005 D HA 0.169 4.811 4.640 0.002 0.000 0.206 2005 D C 0.903 177.219 176.300 0.028 0.000 1.001 2005 D CA 1.282 55.290 54.000 0.014 0.000 0.871 2005 D CB 0.648 41.457 40.800 0.015 0.000 0.943 2005 D HN 0.594 nan 8.370 nan 0.000 0.518 2006 V N -2.247 117.680 119.914 0.021 0.000 2.914 2006 V HA 0.392 4.513 4.120 0.002 0.000 0.314 2006 V C 0.780 176.898 176.094 0.039 0.000 1.084 2006 V CA -1.037 61.293 62.300 0.049 0.000 0.963 2006 V CB 1.770 33.616 31.823 0.039 0.000 1.025 2006 V HN -0.105 nan 8.190 nan 0.000 0.432 2007 F N 0.877 120.778 119.950 -0.081 0.000 2.259 2007 F HA 0.044 4.572 4.527 0.002 0.000 0.298 2007 F C 1.852 177.440 175.800 -0.353 0.000 1.088 2007 F CA 2.177 60.050 58.000 -0.212 0.000 1.358 2007 F CB 0.215 39.068 39.000 -0.245 0.000 1.040 2007 F HN 0.833 nan 8.300 nan 0.000 0.505 2008 H N -1.293 117.689 119.070 -0.146 0.000 2.501 2008 H HA 0.229 4.786 4.556 0.002 0.000 0.281 2008 H C 1.894 177.129 175.328 -0.155 0.000 0.988 2008 H CA 0.818 56.746 56.048 -0.200 0.000 1.232 2008 H CB -0.087 29.598 29.762 -0.127 0.000 1.455 2008 H HN 0.094 nan 8.280 nan 0.000 0.501 2009 L N 0.038 121.231 121.223 -0.051 0.000 2.395 2009 L HA 0.137 4.478 4.340 0.002 0.000 0.218 2009 L C 0.991 177.937 176.870 0.126 0.000 1.130 2009 L CA 0.554 55.409 54.840 0.024 0.000 0.826 2009 L CB -0.351 41.684 42.059 -0.039 0.000 0.941 2009 L HN 0.485 nan 8.230 nan 0.000 0.451 2010 G N 1.573 110.352 108.800 -0.035 0.000 2.366 2010 G HA2 -0.271 3.690 3.960 0.002 0.000 0.299 2010 G HA3 -0.271 3.690 3.960 0.002 0.000 0.299 2010 G C -0.218 174.717 174.900 0.058 0.000 1.020 2010 G CA 0.220 45.300 45.100 -0.033 0.000 1.026 2010 G HN 0.273 nan 8.290 nan 0.000 0.512 2011 L N -0.416 120.822 121.223 0.025 0.000 2.333 2011 L HA 0.860 5.201 4.340 0.002 0.000 0.263 2011 L C 0.623 177.500 176.870 0.011 0.000 1.014 2011 L CA -0.662 54.193 54.840 0.025 0.000 0.820 2011 L CB 2.522 44.600 42.059 0.031 0.000 1.352 2011 L HN 0.370 nan 8.230 nan 0.000 0.421 2012 T N -3.624 110.935 114.554 0.009 0.000 2.932 2012 T HA 0.339 4.690 4.350 0.002 0.000 0.289 2012 T C 0.681 175.385 174.700 0.007 0.000 1.039 2012 T CA -0.874 61.229 62.100 0.006 0.000 1.024 2012 T CB 2.198 71.067 68.868 0.002 0.000 1.090 2012 T HN 0.471 nan 8.240 nan 0.000 0.496 2013 K N 0.685 121.089 120.400 0.007 0.000 2.089 2013 K HA -0.206 4.115 4.320 0.002 0.000 0.210 2013 K C 1.932 178.533 176.600 0.002 0.000 1.048 2013 K CA 1.496 57.787 56.287 0.006 0.000 0.926 2013 K CB -0.426 32.078 32.500 0.007 0.000 0.714 2013 K HN 0.679 nan 8.250 nan 0.000 0.448 2014 N N 1.010 119.710 118.700 0.000 0.000 2.166 2014 N HA -0.153 4.589 4.740 0.002 0.000 0.186 2014 N C 1.113 176.619 175.510 -0.006 0.000 1.019 2014 N CA 1.065 54.113 53.050 -0.003 0.000 0.856 2014 N CB 0.017 38.502 38.487 -0.004 0.000 0.993 2014 N HN 0.180 nan 8.380 nan 0.000 0.426 2015 D N 0.775 121.171 120.400 -0.006 0.000 2.182 2015 D HA -0.136 4.505 4.640 0.002 0.000 0.201 2015 D C 1.890 178.186 176.300 -0.007 0.000 0.986 2015 D CA 0.612 54.606 54.000 -0.010 0.000 0.847 2015 D CB -0.045 40.751 40.800 -0.007 0.000 0.942 2015 D HN 0.241 nan 8.370 nan 0.000 0.467 2016 L N 0.123 121.345 121.223 -0.003 0.000 2.217 2016 L HA -0.025 4.316 4.340 0.002 0.000 0.211 2016 L C 0.935 177.801 176.870 -0.006 0.000 1.107 2016 L CA 0.786 55.624 54.840 -0.003 0.000 0.783 2016 L CB -0.322 41.735 42.059 -0.004 0.000 0.919 2016 L HN 0.025 nan 8.230 nan 0.000 0.442 2017 Q N -0.661 119.136 119.800 -0.006 0.000 2.468 2017 Q HA -0.275 4.066 4.340 0.002 0.000 0.289 2017 Q C 1.046 177.041 176.000 -0.008 0.000 1.299 2017 Q CA 0.319 56.118 55.803 -0.007 0.000 0.838 2017 Q CB -1.638 27.097 28.738 -0.006 0.000 1.195 2017 Q HN 0.652 nan 8.270 nan 0.000 0.456 2018 G N -2.212 106.583 108.800 -0.009 0.000 2.176 2018 G HA2 -0.287 3.674 3.960 0.002 0.000 0.253 2018 G HA3 -0.287 3.674 3.960 0.002 0.000 0.253 2018 G C 0.279 175.168 174.900 -0.020 0.000 0.979 2018 G CA 0.115 45.208 45.100 -0.012 0.000 0.641 2018 G HN 1.212 nan 8.290 nan 0.000 0.530 2019 A N 0.464 123.271 122.820 -0.022 0.000 2.565 2019 A HA 0.544 4.865 4.320 0.002 0.000 0.237 2019 A C 1.481 179.032 177.584 -0.055 0.000 1.053 2019 A CA 1.991 54.007 52.037 -0.035 0.000 0.755 2019 A CB 0.159 19.141 19.000 -0.031 0.000 0.980 2019 A HN 1.703 nan 8.150 nan 0.000 0.506 2020 T N 0.138 114.648 114.554 -0.073 0.000 3.058 2020 T HA 0.416 4.767 4.350 0.002 0.000 0.278 2020 T C 0.033 174.627 174.700 -0.175 0.000 0.974 2020 T CA 0.051 62.088 62.100 -0.105 0.000 0.893 2020 T CB -0.452 68.373 68.868 -0.072 0.000 1.138 2020 T HN 0.567 nan 8.240 nan 0.000 0.529 2021 L N 1.666 122.791 121.223 -0.163 0.000 2.386 2021 L HA 0.875 5.216 4.340 0.002 0.000 0.271 2021 L C -1.387 175.367 176.870 -0.193 0.000 0.993 2021 L CA -0.973 53.746 54.840 -0.202 0.000 0.819 2021 L CB 1.866 43.853 42.059 -0.120 0.000 1.294 2021 L HN 0.208 nan 8.230 nan 0.000 0.414 2022 A N 5.736 128.396 122.820 -0.267 0.000 2.356 2022 A HA 0.682 5.003 4.320 0.002 0.000 0.310 2022 A C -0.909 176.652 177.584 -0.038 0.000 1.075 2022 A CA -0.524 51.432 52.037 -0.135 0.000 0.746 2022 A CB 0.965 19.885 19.000 -0.133 0.000 1.221 2022 A HN 0.676 nan 8.150 nan 0.000 0.443 2023 I N 2.703 123.279 120.570 0.010 0.000 2.352 2023 I HA 0.296 4.467 4.170 0.002 0.000 0.290 2023 I C 0.026 176.191 176.117 0.079 0.000 1.036 2023 I CA -0.367 60.958 61.300 0.041 0.000 1.336 2023 I CB 1.566 39.580 38.000 0.023 0.000 1.407 2023 I HN 0.455 nan 8.210 nan 0.000 0.497 2024 V N 6.266 126.245 119.914 0.109 0.000 2.257 2024 V HA 0.507 4.628 4.120 0.002 0.000 0.269 2024 V C -2.414 173.731 176.094 0.085 0.000 1.040 2024 V CA -1.938 60.437 62.300 0.125 0.000 0.813 2024 V CB 0.213 32.147 31.823 0.186 0.000 1.065 2024 V HN 0.460 nan 8.190 nan 0.000 0.457 2025 P HA 0.302 nan 4.420 nan 0.000 0.275 2025 P C 0.910 178.238 177.300 0.046 0.000 1.266 2025 P CA 0.273 63.398 63.100 0.041 0.000 0.793 2025 P CB 1.651 33.363 31.700 0.021 0.000 1.074 2026 G N -0.639 108.177 108.800 0.027 0.000 2.459 2026 G HA2 -0.047 3.914 3.960 0.002 0.000 0.213 2026 G HA3 -0.047 3.914 3.960 0.002 0.000 0.213 2026 G C 0.235 175.136 174.900 0.002 0.000 1.155 2026 G CA 0.380 45.491 45.100 0.019 0.000 0.811 2026 G HN 0.509 nan 8.290 nan 0.000 0.534 2027 D N 0.509 120.905 120.400 -0.006 0.000 2.295 2027 D HA 0.276 4.917 4.640 0.002 0.000 0.248 2027 D C -1.225 175.067 176.300 -0.014 0.000 1.154 2027 D CA -2.483 51.505 54.000 -0.021 0.000 0.857 2027 D CB 2.093 42.877 40.800 -0.027 0.000 1.117 2027 D HN -0.053 nan 8.370 nan 0.000 0.468 2028 P HA -0.125 nan 4.420 nan 0.000 0.216 2028 P C 0.496 177.794 177.300 -0.003 0.000 1.150 2028 P CA 0.995 64.099 63.100 0.007 0.000 0.843 2028 P CB 0.330 32.028 31.700 -0.003 0.000 0.787 2029 D N -0.840 119.546 120.400 -0.023 0.000 2.348 2029 D HA -0.103 4.538 4.640 0.002 0.000 0.216 2029 D C 1.890 178.149 176.300 -0.068 0.000 0.970 2029 D CA 0.643 54.621 54.000 -0.036 0.000 0.889 2029 D CB -0.122 40.658 40.800 -0.033 0.000 0.912 2029 D HN 0.355 nan 8.370 nan 0.000 0.524 2030 R N 0.318 120.779 120.500 -0.065 0.000 2.362 2030 R HA 0.097 4.438 4.340 0.002 0.000 0.227 2030 R C 1.510 177.737 176.300 -0.122 0.000 0.905 2030 R CA 0.155 56.205 56.100 -0.085 0.000 1.067 2030 R CB -0.029 30.238 30.300 -0.054 0.000 1.078 2030 R HN -0.167 nan 8.270 nan 0.000 0.516 2031 V N 1.771 121.610 119.914 -0.124 0.000 2.237 2031 V HA -0.270 3.851 4.120 0.002 0.000 0.245 2031 V C 2.384 178.216 176.094 -0.437 0.000 1.046 2031 V CA 2.375 64.576 62.300 -0.165 0.000 1.007 2031 V CB -0.579 31.222 31.823 -0.037 0.000 0.638 2031 V HN 0.591 nan 8.190 nan 0.000 0.445 2032 E N 0.250 120.027 120.200 -0.706 0.000 2.118 2032 E HA -0.322 4.029 4.350 0.002 0.000 0.195 2032 E C 2.145 178.344 176.600 -0.668 0.000 0.992 2032 E CA 1.803 57.472 56.400 -1.218 0.000 0.804 2032 E CB -0.135 28.960 29.700 -1.007 0.000 0.741 2032 E HN 0.497 nan 8.360 nan 0.000 0.458 2033 K N 0.237 120.411 120.400 -0.377 0.000 2.057 2033 K HA -0.079 4.242 4.320 0.002 0.000 0.207 2033 K C 2.005 178.491 176.600 -0.191 0.000 1.049 2033 K CA 1.560 57.708 56.287 -0.232 0.000 0.931 2033 K CB -0.093 32.316 32.500 -0.151 0.000 0.714 2033 K HN 0.232 nan 8.250 nan 0.000 0.440 2034 I N -0.037 120.424 120.570 -0.183 0.000 2.233 2034 I HA -0.228 3.943 4.170 0.002 0.000 0.243 2034 I C 2.250 178.298 176.117 -0.115 0.000 1.093 2034 I CA 1.014 62.245 61.300 -0.116 0.000 1.380 2034 I CB -0.339 37.613 38.000 -0.079 0.000 1.067 2034 I HN 0.147 nan 8.210 nan 0.000 0.413 2035 A N 0.930 123.646 122.820 -0.173 0.000 1.917 2035 A HA -0.255 4.066 4.320 0.002 0.000 0.219 2035 A C 2.476 180.011 177.584 -0.081 0.000 1.182 2035 A CA 2.069 54.045 52.037 -0.101 0.000 0.633 2035 A CB -0.917 18.012 19.000 -0.118 0.000 0.819 2035 A HN 0.457 nan 8.150 nan 0.000 0.448 2036 A N -0.624 122.098 122.820 -0.163 0.000 2.125 2036 A HA 0.064 4.385 4.320 0.002 0.000 0.219 2036 A C 1.919 179.474 177.584 -0.050 0.000 1.156 2036 A CA 1.239 53.218 52.037 -0.098 0.000 0.671 2036 A CB -0.538 18.380 19.000 -0.136 0.000 0.794 2036 A HN 0.505 nan 8.150 nan 0.000 0.459 2037 L N -1.357 119.836 121.223 -0.050 0.000 2.552 2037 L HA 0.075 4.416 4.340 0.002 0.000 0.227 2037 L C 1.168 178.031 176.870 -0.011 0.000 1.146 2037 L CA 0.090 54.914 54.840 -0.027 0.000 0.858 2037 L CB -0.368 41.674 42.059 -0.028 0.000 0.969 2037 L HN 0.432 nan 8.230 nan 0.000 0.451 2038 M N -1.602 117.996 119.600 -0.003 0.000 2.840 2038 M HA 0.306 4.787 4.480 0.002 0.000 0.283 2038 M C -0.625 175.689 176.300 0.023 0.000 1.136 2038 M CA -0.811 54.495 55.300 0.010 0.000 0.857 2038 M CB 1.088 33.698 32.600 0.016 0.000 1.644 2038 M HN -0.177 nan 8.290 nan 0.000 0.520 2039 D N 1.085 121.501 120.400 0.027 0.000 2.253 2039 D HA 0.194 4.835 4.640 0.002 0.000 0.249 2039 D C -0.468 175.861 176.300 0.048 0.000 1.049 2039 D CA -0.145 53.874 54.000 0.032 0.000 0.929 2039 D CB 0.825 41.638 40.800 0.022 0.000 1.176 2039 D HN 0.434 nan 8.370 nan 0.000 0.437 2040 K N -0.428 120.003 120.400 0.051 0.000 3.278 2040 K HA -0.134 4.187 4.320 0.002 0.000 0.270 2040 K C -2.287 174.371 176.600 0.097 0.000 0.955 2040 K CA 0.131 56.454 56.287 0.060 0.000 0.723 2040 K CB -1.581 30.942 32.500 0.038 0.000 1.382 2040 K HN 0.388 nan 8.250 nan 0.000 0.461 2041 P HA 0.152 nan 4.420 nan 0.000 0.271 2041 P C -0.242 177.241 177.300 0.305 0.000 1.216 2041 P CA -0.057 63.221 63.100 0.298 0.000 0.771 2041 P CB 1.156 33.057 31.700 0.335 0.000 0.864 2042 V N 3.646 123.684 119.914 0.206 0.000 2.711 2042 V HA 0.220 4.342 4.120 0.002 0.000 0.304 2042 V C 0.269 175.929 176.094 -0.722 0.000 1.097 2042 V CA -0.878 61.288 62.300 -0.223 0.000 0.906 2042 V CB 2.176 33.926 31.823 -0.122 0.000 1.015 2042 V HN 0.499 nan 8.190 nan 0.000 0.427 2043 K N 3.643 123.130 120.400 -1.521 0.000 2.412 2043 K HA 0.365 4.686 4.320 0.002 0.000 0.281 2043 K C 0.256 176.457 176.600 -0.666 0.000 1.027 2043 K CA -0.108 55.191 56.287 -1.647 0.000 0.989 2043 K CB 0.752 32.416 32.500 -1.395 0.000 0.935 2043 K HN 0.642 nan 8.250 nan 0.000 0.475 2044 L N 2.573 123.537 121.223 -0.432 0.000 2.349 2044 L HA 0.288 4.629 4.340 0.002 0.000 0.200 2044 L C 0.466 177.255 176.870 -0.133 0.000 1.064 2044 L CA 0.184 54.904 54.840 -0.198 0.000 0.821 2044 L CB 0.396 42.401 42.059 -0.090 0.000 1.027 2044 L HN 0.742 nan 8.230 nan 0.000 0.476 2045 A N -1.203 121.554 122.820 -0.106 0.000 2.601 2045 A HA 0.622 4.943 4.320 0.002 0.000 0.291 2045 A C -1.193 176.343 177.584 -0.080 0.000 1.075 2045 A CA -0.282 51.713 52.037 -0.071 0.000 0.671 2045 A CB 1.748 20.788 19.000 0.066 0.000 1.277 2045 A HN -0.139 nan 8.150 nan 0.000 0.417 2046 S N 0.710 116.253 115.700 -0.262 0.000 2.680 2046 S HA 0.635 5.106 4.470 0.002 0.000 0.262 2046 S C -1.797 172.517 174.600 -0.476 0.000 1.138 2046 S CA -0.472 57.603 58.200 -0.209 0.000 1.072 2046 S CB 0.312 63.437 63.200 -0.125 0.000 1.097 2046 S HN 0.755 nan 8.310 nan 0.000 0.468 2047 H N 3.307 122.445 119.070 0.113 0.000 2.856 2047 H HA 0.510 5.067 4.556 0.002 0.000 0.355 2047 H C 0.541 175.941 175.328 0.121 0.000 1.079 2047 H CA -0.455 55.658 56.048 0.108 0.000 1.240 2047 H CB 1.603 31.434 29.762 0.115 0.000 1.701 2047 H HN 0.767 nan 8.280 nan 0.000 0.527 2048 R N 0.508 121.093 120.500 0.142 0.000 3.750 2048 R HA -0.241 4.100 4.340 0.002 0.000 0.495 2048 R C 1.143 177.352 176.300 -0.152 0.000 0.241 2048 R CA 2.015 58.111 56.100 -0.007 0.000 1.551 2048 R CB -0.701 29.601 30.300 0.002 0.000 0.956 2048 R HN 0.766 nan 8.270 nan 0.000 0.584 2049 E N 1.711 121.638 120.200 -0.454 0.000 2.476 2049 E HA 0.010 4.361 4.350 0.002 0.000 0.191 2049 E C -0.331 176.020 176.600 -0.415 0.000 1.064 2049 E CA 0.577 56.705 56.400 -0.453 0.000 0.866 2049 E CB 0.149 29.549 29.700 -0.501 0.000 0.952 2049 E HN 0.294 nan 8.360 nan 0.000 0.492 2050 F N 1.570 121.562 119.950 0.070 0.000 2.313 2050 F HA 0.332 4.860 4.527 0.001 0.000 0.369 2050 F C 0.215 176.066 175.800 0.085 0.000 1.109 2050 F CA -0.617 57.434 58.000 0.084 0.000 1.132 2050 F CB 1.611 40.677 39.000 0.109 0.000 1.291 2050 F HN -0.333 nan 8.300 nan 0.000 0.496 2051 T N 2.154 116.847 114.554 0.231 0.000 2.779 2051 T HA 0.523 4.874 4.350 0.002 0.000 0.280 2051 T C -0.177 174.674 174.700 0.251 0.000 0.987 2051 T CA -0.511 61.711 62.100 0.203 0.000 0.966 2051 T CB 1.135 70.109 68.868 0.176 0.000 0.933 2051 T HN 0.422 nan 8.240 nan 0.000 0.442 2052 T N 3.478 118.174 114.554 0.237 0.000 2.812 2052 T HA 0.500 4.851 4.350 0.002 0.000 0.282 2052 T C -1.103 173.751 174.700 0.257 0.000 0.990 2052 T CA -0.631 61.606 62.100 0.229 0.000 0.960 2052 T CB 0.733 69.684 68.868 0.139 0.000 0.948 2052 T HN 0.438 nan 8.240 nan 0.000 0.438 2053 W N 1.822 123.138 121.300 0.026 0.000 2.706 2053 W HA 0.669 5.330 4.660 0.002 0.000 0.346 2053 W C 0.262 176.788 176.519 0.011 0.000 1.071 2053 W CA -1.132 56.221 57.345 0.014 0.000 1.206 2053 W CB 1.254 30.720 29.460 0.010 0.000 1.413 2053 W HN 0.400 nan 8.180 nan 0.000 0.542 2054 R N 1.580 122.191 120.500 0.186 0.000 2.589 2054 R HA 0.868 5.209 4.340 0.002 0.000 0.293 2054 R C -0.648 175.740 176.300 0.146 0.000 0.963 2054 R CA -0.331 55.841 56.100 0.119 0.000 0.905 2054 R CB 1.433 31.758 30.300 0.042 0.000 1.144 2054 R HN 0.650 nan 8.270 nan 0.000 0.459 2055 A N 2.528 125.412 122.820 0.106 0.000 2.525 2055 A HA 0.507 4.828 4.320 0.002 0.000 0.291 2055 A C -1.541 176.072 177.584 0.049 0.000 1.268 2055 A CA -0.675 51.416 52.037 0.091 0.000 0.712 2055 A CB 1.718 20.776 19.000 0.097 0.000 1.320 2055 A HN 0.712 nan 8.150 nan 0.000 0.456 2056 E N -0.624 119.600 120.200 0.039 0.000 2.248 2056 E HA 0.572 4.923 4.350 0.002 0.000 0.267 2056 E C -2.248 174.361 176.600 0.015 0.000 0.877 2056 E CA -0.573 55.840 56.400 0.022 0.000 0.759 2056 E CB 1.949 31.660 29.700 0.019 0.000 1.182 2056 E HN 0.442 nan 8.360 nan 0.000 0.418 2057 L N 4.432 125.659 121.223 0.007 0.000 2.406 2057 L HA 0.335 4.677 4.340 0.002 0.000 0.270 2057 L C -1.186 175.683 176.870 -0.002 0.000 0.982 2057 L CA -0.097 54.744 54.840 0.001 0.000 0.843 2057 L CB 1.367 43.425 42.059 -0.003 0.000 1.225 2057 L HN 0.616 nan 8.230 nan 0.000 0.412 2058 D N 4.507 124.906 120.400 -0.002 0.000 2.708 2058 D HA -0.198 4.443 4.640 0.002 0.000 0.236 2058 D C 1.168 177.467 176.300 -0.002 0.000 1.146 2058 D CA 1.570 55.569 54.000 -0.003 0.000 0.662 2058 D CB -0.948 39.848 40.800 -0.006 0.000 1.059 2058 D HN 1.188 nan 8.370 nan 0.000 0.428 2059 G N -0.982 107.819 108.800 0.000 0.000 2.184 2059 G HA2 -0.352 3.609 3.960 0.002 0.000 0.264 2059 G HA3 -0.352 3.609 3.960 0.002 0.000 0.264 2059 G C 0.247 175.147 174.900 -0.001 0.000 0.975 2059 G CA 0.746 45.846 45.100 0.001 0.000 0.642 2059 G HN 0.418 nan 8.290 nan 0.000 0.536 2060 K N 1.022 121.421 120.400 -0.002 0.000 2.207 2060 K HA 0.468 4.789 4.320 0.002 0.000 0.255 2060 K C -2.662 173.936 176.600 -0.003 0.000 0.941 2060 K CA -1.979 54.305 56.287 -0.005 0.000 0.825 2060 K CB 2.683 35.177 32.500 -0.010 0.000 1.119 2060 K HN 0.072 nan 8.250 nan 0.000 0.430 2061 P HA 0.148 nan 4.420 nan 0.000 0.276 2061 P C -0.529 176.767 177.300 -0.006 0.000 1.230 2061 P CA -0.291 62.809 63.100 -0.000 0.000 0.776 2061 P CB 0.864 32.562 31.700 -0.003 0.000 0.888 2062 V N 4.777 124.693 119.914 0.004 0.000 2.841 2062 V HA 0.363 4.484 4.120 0.002 0.000 0.310 2062 V C 0.102 176.206 176.094 0.017 0.000 1.090 2062 V CA -0.819 61.479 62.300 -0.003 0.000 0.930 2062 V CB 2.494 34.317 31.823 -0.001 0.000 1.014 2062 V HN 0.408 nan 8.190 nan 0.000 0.425 2063 I N 3.900 124.473 120.570 0.005 0.000 2.437 2063 I HA 0.513 4.684 4.170 0.002 0.000 0.298 2063 I C -0.356 175.794 176.117 0.056 0.000 0.984 2063 I CA -0.501 60.822 61.300 0.038 0.000 1.214 2063 I CB 1.971 39.981 38.000 0.017 0.000 1.365 2063 I HN 0.255 nan 8.210 nan 0.000 0.469 2064 V N 5.376 125.355 119.914 0.107 0.000 2.407 2064 V HA 0.384 4.505 4.120 0.002 0.000 0.291 2064 V C -0.425 175.757 176.094 0.147 0.000 1.018 2064 V CA -0.498 61.866 62.300 0.106 0.000 0.842 2064 V CB 1.939 33.811 31.823 0.082 0.000 0.996 2064 V HN 0.885 nan 8.190 nan 0.000 0.426 2065 C N 5.179 124.562 119.300 0.138 0.000 2.481 2065 C HA 0.738 5.199 4.460 0.002 0.000 0.324 2065 C C 0.524 175.618 174.990 0.173 0.000 1.170 2065 C CA -0.362 58.759 59.018 0.171 0.000 1.361 2065 C CB 1.150 28.992 27.740 0.169 0.000 1.977 2065 C HN 1.026 nan 8.230 nan 0.000 0.459 2066 S N 3.232 119.046 115.700 0.189 0.000 2.584 2066 S HA 0.400 4.871 4.470 0.002 0.000 0.273 2066 S C 0.896 175.639 174.600 0.238 0.000 1.311 2066 S CA 0.352 58.646 58.200 0.158 0.000 1.034 2066 S CB 1.384 64.641 63.200 0.096 0.000 0.939 2066 S HN 1.035 nan 8.310 nan 0.000 0.513 2067 T N -1.026 113.626 114.554 0.164 0.000 3.037 2067 T HA 0.509 4.860 4.350 0.002 0.000 0.251 2067 T C 1.211 175.961 174.700 0.083 0.000 1.079 2067 T CA 0.279 62.500 62.100 0.202 0.000 1.067 2067 T CB -0.975 67.968 68.868 0.124 0.000 0.948 2067 T HN 1.911 nan 8.240 nan 0.000 0.496 2068 G N 1.539 110.322 108.800 -0.028 0.000 2.782 2068 G HA2 -0.135 3.826 3.960 0.002 0.000 0.228 2068 G HA3 -0.135 3.826 3.960 0.002 0.000 0.228 2068 G C -0.580 174.297 174.900 -0.039 0.000 1.372 2068 G CA -0.477 44.564 45.100 -0.100 0.000 0.862 2068 G HN 0.634 nan 8.290 nan 0.000 0.547 2069 I N 2.121 122.662 120.570 -0.048 0.000 2.371 2069 I HA 0.536 4.707 4.170 0.002 0.000 0.290 2069 I C 1.052 177.162 176.117 -0.011 0.000 1.028 2069 I CA 0.937 62.223 61.300 -0.023 0.000 1.345 2069 I CB 0.593 38.573 38.000 -0.033 0.000 1.407 2069 I HN 1.941 nan 8.210 nan 0.000 0.501 2070 G N 3.841 112.643 108.800 0.003 0.000 2.617 2070 G HA2 -0.056 3.905 3.960 0.002 0.000 0.686 2070 G HA3 -0.056 3.905 3.960 0.002 0.000 0.686 2070 G C 0.513 175.419 174.900 0.009 0.000 1.214 2070 G CA -0.512 44.592 45.100 0.006 0.000 0.796 2070 G HN 0.906 nan 8.290 nan 0.000 0.654 2071 G N 0.885 109.688 108.800 0.004 0.000 2.574 2071 G HA2 -0.074 3.887 3.960 0.002 0.000 0.220 2071 G HA3 -0.074 3.887 3.960 0.002 0.000 0.220 2071 G C 0.165 175.070 174.900 0.009 0.000 1.173 2071 G CA 2.342 47.443 45.100 0.002 0.000 0.772 2071 G HN 0.713 nan 8.290 nan 0.000 0.585 2072 P HA -0.120 nan 4.420 nan 0.000 0.214 2072 P C 2.474 179.803 177.300 0.047 0.000 1.163 2072 P CA 2.500 65.603 63.100 0.005 0.000 0.883 2072 P CB -0.274 31.423 31.700 -0.005 0.000 0.788 2073 S N -2.129 113.613 115.700 0.069 0.000 2.406 2073 S HA -0.109 4.362 4.470 0.002 0.000 0.228 2073 S C 1.959 176.695 174.600 0.227 0.000 1.020 2073 S CA 1.680 59.989 58.200 0.181 0.000 0.965 2073 S CB -1.944 61.310 63.200 0.090 0.000 0.798 2073 S HN 0.082 nan 8.310 nan 0.000 0.488 2074 T N 3.168 117.789 114.554 0.111 0.000 2.684 2074 T HA -0.137 4.214 4.350 0.002 0.000 0.267 2074 T C 2.343 177.039 174.700 -0.007 0.000 1.036 2074 T CA 2.000 64.134 62.100 0.057 0.000 1.148 2074 T CB -0.779 68.091 68.868 0.004 0.000 0.863 2074 T HN 0.797 nan 8.240 nan 0.000 0.436 2075 S N 1.177 116.880 115.700 0.006 0.000 2.399 2075 S HA -0.048 4.423 4.470 0.002 0.000 0.231 2075 S C 2.071 176.672 174.600 0.001 0.000 1.022 2075 S CA 0.856 59.063 58.200 0.011 0.000 0.983 2075 S CB -0.762 62.541 63.200 0.172 0.000 0.803 2075 S HN 0.516 nan 8.310 nan 0.000 0.480 2076 I N 2.200 122.763 120.570 -0.013 0.000 2.163 2076 I HA -0.110 4.061 4.170 0.002 0.000 0.240 2076 I C 3.155 179.150 176.117 -0.203 0.000 1.081 2076 I CA 1.099 62.330 61.300 -0.116 0.000 1.353 2076 I CB -0.818 37.039 38.000 -0.239 0.000 1.054 2076 I HN 0.428 nan 8.210 nan 0.000 0.407 2077 A N 0.587 123.276 122.820 -0.218 0.000 1.865 2077 A HA -0.185 4.136 4.320 0.002 0.000 0.217 2077 A C 2.428 179.967 177.584 -0.075 0.000 1.191 2077 A CA 2.139 54.059 52.037 -0.195 0.000 0.623 2077 A CB -1.090 17.922 19.000 0.019 0.000 0.826 2077 A HN 0.250 nan 8.150 nan 0.000 0.444 2078 V N 0.063 119.893 119.914 -0.139 0.000 2.307 2078 V HA -0.240 3.881 4.120 0.002 0.000 0.245 2078 V C 2.615 178.609 176.094 -0.166 0.000 1.045 2078 V CA 2.433 64.539 62.300 -0.323 0.000 1.024 2078 V CB -0.814 30.609 31.823 -0.668 0.000 0.651 2078 V HN 0.755 nan 8.190 nan 0.000 0.449 2079 E N 0.959 121.091 120.200 -0.112 0.000 2.070 2079 E HA -0.268 4.083 4.350 0.002 0.000 0.197 2079 E C 2.082 178.704 176.600 0.036 0.000 1.004 2079 E CA 2.168 58.559 56.400 -0.014 0.000 0.805 2079 E CB -0.289 29.438 29.700 0.045 0.000 0.744 2079 E HN 0.690 nan 8.360 nan 0.000 0.451 2080 E N -0.459 119.752 120.200 0.019 0.000 2.158 2080 E HA -0.054 4.297 4.350 0.002 0.000 0.191 2080 E C 2.258 178.896 176.600 0.062 0.000 0.982 2080 E CA 0.738 57.159 56.400 0.034 0.000 0.823 2080 E CB -0.059 29.639 29.700 -0.003 0.000 0.766 2080 E HN 0.303 nan 8.360 nan 0.000 0.468 2081 L N 0.659 121.946 121.223 0.107 0.000 2.093 2081 L HA -0.126 4.215 4.340 0.002 0.000 0.208 2081 L C 2.568 179.556 176.870 0.196 0.000 1.085 2081 L CA 0.865 55.807 54.840 0.170 0.000 0.755 2081 L CB -0.391 41.849 42.059 0.302 0.000 0.904 2081 L HN 0.120 nan 8.230 nan 0.000 0.435 2082 A N -0.426 122.558 122.820 0.272 0.000 1.902 2082 A HA -0.264 4.057 4.320 0.002 0.000 0.217 2082 A C 2.228 179.878 177.584 0.110 0.000 1.181 2082 A CA 1.581 53.750 52.037 0.220 0.000 0.623 2082 A CB -0.494 18.621 19.000 0.191 0.000 0.818 2082 A HN 0.462 nan 8.150 nan 0.000 0.443 2083 Q N -1.222 118.630 119.800 0.087 0.000 2.181 2083 Q HA -0.127 4.214 4.340 0.002 0.000 0.205 2083 Q C 1.450 177.478 176.000 0.048 0.000 0.980 2083 Q CA 0.999 56.838 55.803 0.060 0.000 0.862 2083 Q CB -0.183 28.588 28.738 0.055 0.000 0.905 2083 Q HN 0.471 nan 8.270 nan 0.000 0.429 2084 L N -1.505 119.748 121.223 0.049 0.000 2.492 2084 L HA 0.095 4.436 4.340 0.002 0.000 0.223 2084 L C 1.382 178.262 176.870 0.018 0.000 1.132 2084 L CA 1.599 56.457 54.840 0.031 0.000 0.850 2084 L CB -0.052 42.025 42.059 0.030 0.000 0.966 2084 L HN 0.379 nan 8.230 nan 0.000 0.454 2085 G N -1.427 107.386 108.800 0.022 0.000 2.192 2085 G HA2 -0.175 3.786 3.960 0.002 0.000 0.193 2085 G HA3 -0.175 3.786 3.960 0.002 0.000 0.193 2085 G C 0.330 175.211 174.900 -0.031 0.000 0.999 2085 G CA -0.433 44.669 45.100 0.003 0.000 0.659 2085 G HN 0.064 nan 8.290 nan 0.000 0.503 2086 I N 1.090 121.626 120.570 -0.056 0.000 2.618 2086 I HA 0.297 4.468 4.170 0.002 0.000 0.284 2086 I C 1.325 177.324 176.117 -0.196 0.000 1.146 2086 I CA 0.273 61.443 61.300 -0.217 0.000 1.425 2086 I CB 0.976 38.735 38.000 -0.401 0.000 1.383 2086 I HN 0.098 nan 8.210 nan 0.000 0.562 2087 R N 2.973 123.329 120.500 -0.239 0.000 2.487 2087 R HA 0.205 4.546 4.340 0.002 0.000 0.272 2087 R C -0.298 175.933 176.300 -0.115 0.000 0.928 2087 R CA 0.178 56.225 56.100 -0.089 0.000 1.077 2087 R CB 0.669 30.949 30.300 -0.033 0.000 1.265 2087 R HN 0.544 nan 8.270 nan 0.000 0.537 2088 T N 1.108 115.450 114.554 -0.352 0.000 2.928 2088 T HA 0.541 4.892 4.350 0.002 0.000 0.296 2088 T C -1.102 173.331 174.700 -0.445 0.000 1.000 2088 T CA -0.328 61.641 62.100 -0.217 0.000 0.989 2088 T CB 1.241 70.035 68.868 -0.122 0.000 1.005 2088 T HN -0.147 nan 8.240 nan 0.000 0.442 2089 F N 2.841 122.787 119.950 -0.007 0.000 2.449 2089 F HA 0.577 5.105 4.527 0.001 0.000 0.342 2089 F C -0.172 175.625 175.800 -0.006 0.000 1.127 2089 F CA -1.047 56.949 58.000 -0.006 0.000 0.975 2089 F CB 1.275 40.267 39.000 -0.014 0.000 1.146 2089 F HN 0.205 nan 8.300 nan 0.000 0.444 2090 L N 4.453 125.756 121.223 0.133 0.000 2.294 2090 L HA 0.518 4.859 4.340 0.002 0.000 0.283 2090 L C -0.012 176.911 176.870 0.087 0.000 1.015 2090 L CA -0.646 54.244 54.840 0.083 0.000 0.831 2090 L CB 1.660 43.739 42.059 0.033 0.000 1.217 2090 L HN 0.603 nan 8.230 nan 0.000 0.420 2091 R N 4.106 124.652 120.500 0.077 0.000 2.357 2091 R HA 0.505 4.847 4.340 0.002 0.000 0.296 2091 R C -1.039 175.284 176.300 0.039 0.000 1.052 2091 R CA -0.477 55.659 56.100 0.060 0.000 0.988 2091 R CB 1.307 31.635 30.300 0.047 0.000 1.025 2091 R HN 0.494 nan 8.270 nan 0.000 0.469 2092 I N 4.097 124.688 120.570 0.035 0.000 2.439 2092 I HA 0.483 4.654 4.170 0.002 0.000 0.285 2092 I C -0.756 175.375 176.117 0.023 0.000 1.021 2092 I CA -0.072 61.242 61.300 0.024 0.000 1.091 2092 I CB 1.330 39.341 38.000 0.018 0.000 1.242 2092 I HN 0.864 nan 8.210 nan 0.000 0.439 2093 G N 4.634 113.447 108.800 0.022 0.000 3.015 2093 G HA2 0.698 4.659 3.960 0.002 0.000 0.281 2093 G HA3 0.698 4.659 3.960 0.002 0.000 0.281 2093 G C -0.834 174.080 174.900 0.023 0.000 1.386 2093 G CA -0.401 44.712 45.100 0.022 0.000 0.959 2093 G HN 0.566 nan 8.290 nan 0.000 0.522 2094 T N -2.815 111.756 114.554 0.027 0.000 2.925 2094 T HA 0.740 5.091 4.350 0.002 0.000 0.285 2094 T C -0.313 174.412 174.700 0.042 0.000 1.021 2094 T CA -0.602 61.518 62.100 0.033 0.000 1.042 2094 T CB 2.025 70.913 68.868 0.033 0.000 1.037 2094 T HN 0.866 nan 8.240 nan 0.000 0.481 2095 T N -0.256 114.322 114.554 0.041 0.000 2.853 2095 T HA 0.650 5.001 4.350 0.002 0.000 0.311 2095 T C -0.597 174.122 174.700 0.032 0.000 1.307 2095 T CA -0.421 61.702 62.100 0.038 0.000 1.019 2095 T CB 1.337 70.220 68.868 0.025 0.000 1.264 2095 T HN 1.167 nan 8.240 nan 0.000 0.497 2096 G N 1.573 110.391 108.800 0.031 0.000 2.370 2096 G HA2 0.650 4.611 3.960 0.002 0.000 0.317 2096 G HA3 0.650 4.611 3.960 0.002 0.000 0.317 2096 G C 0.010 174.918 174.900 0.015 0.000 1.162 2096 G CA -0.199 44.916 45.100 0.024 0.000 0.922 2096 G HN 0.987 nan 8.290 nan 0.000 0.454 2097 A N 2.141 124.949 122.820 -0.020 0.000 2.371 2097 A HA 0.541 4.862 4.320 0.002 0.000 0.257 2097 A C 1.048 178.596 177.584 -0.061 0.000 1.089 2097 A CA -0.384 51.610 52.037 -0.071 0.000 0.794 2097 A CB 0.243 19.177 19.000 -0.110 0.000 1.029 2097 A HN 1.302 nan 8.150 nan 0.000 0.488 2098 I N -2.097 118.413 120.570 -0.101 0.000 4.147 2098 I HA 0.261 4.432 4.170 0.002 0.000 0.329 2098 I C -0.179 175.894 176.117 -0.073 0.000 1.424 2098 I CA -0.325 60.935 61.300 -0.067 0.000 1.127 2098 I CB 0.253 38.194 38.000 -0.099 0.000 1.128 2098 I HN 0.313 nan 8.210 nan 0.000 0.417 2099 Q N 2.787 122.503 119.800 -0.140 0.000 2.256 2099 Q HA 0.392 4.733 4.340 0.002 0.000 0.257 2099 Q C -1.833 174.069 176.000 -0.163 0.000 0.936 2099 Q CA -2.165 53.549 55.803 -0.148 0.000 0.903 2099 Q CB 1.887 30.453 28.738 -0.287 0.000 1.263 2099 Q HN 0.037 nan 8.270 nan 0.000 0.440 2100 P HA -0.145 nan 4.420 nan 0.000 0.225 2100 P C 0.666 177.965 177.300 -0.001 0.000 1.148 2100 P CA 1.391 64.491 63.100 -0.001 0.000 0.779 2100 P CB 0.182 31.912 31.700 0.050 0.000 0.780 2101 H N -1.617 117.422 119.070 -0.052 0.000 2.551 2101 H HA 0.270 4.827 4.556 0.002 0.000 0.271 2101 H C 0.571 175.855 175.328 -0.074 0.000 0.984 2101 H CA -0.392 55.632 56.048 -0.041 0.000 1.164 2101 H CB -0.449 29.297 29.762 -0.026 0.000 1.437 2101 H HN 0.118 nan 8.280 nan 0.000 0.550 2102 I N 3.094 123.343 120.570 -0.535 0.000 2.342 2102 I HA 0.077 4.248 4.170 0.002 0.000 0.291 2102 I C -0.206 175.830 176.117 -0.135 0.000 1.010 2102 I CA -0.498 60.550 61.300 -0.420 0.000 1.308 2102 I CB 0.870 38.514 38.000 -0.594 0.000 1.400 2102 I HN 0.067 nan 8.210 nan 0.000 0.488 2103 N N 4.911 123.606 118.700 -0.008 0.000 2.489 2103 N HA 0.301 5.042 4.740 0.002 0.000 0.284 2103 N C -0.497 175.025 175.510 0.021 0.000 1.158 2103 N CA -0.612 52.448 53.050 0.016 0.000 0.965 2103 N CB 1.929 40.445 38.487 0.049 0.000 1.195 2103 N HN 0.177 nan 8.380 nan 0.000 0.506 2104 V N 1.024 120.947 119.914 0.015 0.000 2.557 2104 V HA 0.206 4.327 4.120 0.002 0.000 0.301 2104 V C 1.485 177.594 176.094 0.026 0.000 1.026 2104 V CA 1.666 63.977 62.300 0.017 0.000 1.137 2104 V CB 0.066 31.897 31.823 0.013 0.000 0.917 2104 V HN 1.058 nan 8.190 nan 0.000 0.484 2105 G N 4.005 112.824 108.800 0.031 0.000 2.238 2105 G HA2 -0.174 3.787 3.960 0.002 0.000 0.217 2105 G HA3 -0.174 3.787 3.960 0.002 0.000 0.217 2105 G C -0.025 174.923 174.900 0.080 0.000 0.996 2105 G CA -0.036 45.085 45.100 0.036 0.000 0.632 2105 G HN 0.659 nan 8.290 nan 0.000 0.503 2106 D N 0.331 120.783 120.400 0.087 0.000 2.378 2106 D HA 0.458 5.099 4.640 0.002 0.000 0.238 2106 D C 0.517 176.878 176.300 0.103 0.000 1.180 2106 D CA 0.226 54.296 54.000 0.117 0.000 0.895 2106 D CB 1.597 42.508 40.800 0.184 0.000 1.192 2106 D HN 0.233 nan 8.370 nan 0.000 0.438 2107 V N 2.372 122.339 119.914 0.088 0.000 2.417 2107 V HA 0.342 4.463 4.120 0.002 0.000 0.291 2107 V C 0.023 176.157 176.094 0.066 0.000 1.024 2107 V CA -0.713 61.623 62.300 0.060 0.000 0.861 2107 V CB 1.267 33.104 31.823 0.023 0.000 0.985 2107 V HN 0.276 nan 8.190 nan 0.000 0.436 2108 L N 5.389 126.646 121.223 0.058 0.000 2.333 2108 L HA 0.620 4.962 4.340 0.002 0.000 0.280 2108 L C -0.708 176.180 176.870 0.031 0.000 1.004 2108 L CA -0.766 54.110 54.840 0.060 0.000 0.820 2108 L CB 1.997 44.082 42.059 0.044 0.000 1.247 2108 L HN 0.333 nan 8.230 nan 0.000 0.416 2109 V N 1.984 121.915 119.914 0.028 0.000 2.370 2109 V HA 0.270 4.391 4.120 0.002 0.000 0.283 2109 V C 0.319 176.420 176.094 0.012 0.000 1.023 2109 V CA -0.405 61.902 62.300 0.011 0.000 0.857 2109 V CB 1.740 33.561 31.823 -0.003 0.000 0.985 2109 V HN 0.727 nan 8.190 nan 0.000 0.443 2110 T N 3.685 118.243 114.554 0.007 0.000 2.761 2110 T HA 0.174 4.525 4.350 0.002 0.000 0.296 2110 T C 1.363 176.068 174.700 0.009 0.000 0.934 2110 T CA 0.246 62.348 62.100 0.003 0.000 1.091 2110 T CB 1.121 69.988 68.868 -0.003 0.000 0.896 2110 T HN 0.966 nan 8.240 nan 0.000 0.515 2111 T N 0.753 115.315 114.554 0.013 0.000 2.937 2111 T HA 0.474 4.825 4.350 0.002 0.000 0.260 2111 T C 0.723 175.437 174.700 0.022 0.000 1.051 2111 T CA 0.249 62.365 62.100 0.026 0.000 1.141 2111 T CB 0.186 69.075 68.868 0.035 0.000 0.879 2111 T HN 0.749 nan 8.240 nan 0.000 0.459 2112 A N 0.036 122.859 122.820 0.006 0.000 2.601 2112 A HA 0.682 5.003 4.320 0.002 0.000 0.291 2112 A C -1.016 176.553 177.584 -0.024 0.000 1.075 2112 A CA -0.836 51.201 52.037 -0.000 0.000 0.671 2112 A CB 1.309 20.308 19.000 -0.002 0.000 1.277 2112 A HN 0.189 nan 8.150 nan 0.000 0.417 2113 S N -0.223 115.461 115.700 -0.027 0.000 2.503 2113 S HA 0.583 5.054 4.470 0.002 0.000 0.301 2113 S C -0.304 174.242 174.600 -0.090 0.000 1.087 2113 S CA -0.541 57.622 58.200 -0.062 0.000 1.042 2113 S CB 1.650 64.825 63.200 -0.043 0.000 1.043 2113 S HN 0.861 nan 8.310 nan 0.000 0.489 2114 V N 3.424 123.228 119.914 -0.184 0.000 2.479 2114 V HA 0.165 4.286 4.120 0.002 0.000 0.281 2114 V C 0.600 176.604 176.094 -0.150 0.000 1.031 2114 V CA 0.044 62.191 62.300 -0.255 0.000 1.038 2114 V CB -0.133 31.310 31.823 -0.632 0.000 0.981 2114 V HN 0.691 nan 8.190 nan 0.000 0.478 2115 R N 5.421 125.890 120.500 -0.051 0.000 2.608 2115 R HA 0.327 4.668 4.340 0.002 0.000 0.277 2115 R C -0.000 176.341 176.300 0.069 0.000 1.341 2115 R CA -0.135 55.978 56.100 0.021 0.000 1.199 2115 R CB 0.079 30.417 30.300 0.064 0.000 1.156 2115 R HN 0.672 nan 8.270 nan 0.000 0.558 2116 L N 2.463 123.733 121.223 0.078 0.000 2.912 2116 L HA 0.166 4.507 4.340 0.002 0.000 0.240 2116 L C 0.123 177.088 176.870 0.159 0.000 1.262 2116 L CA -0.299 54.658 54.840 0.196 0.000 1.058 2116 L CB -0.724 41.501 42.059 0.276 0.000 1.383 2116 L HN 0.508 nan 8.230 nan 0.000 0.512 2117 D N -1.339 119.127 120.400 0.109 0.000 2.497 2117 D HA 0.309 4.951 4.640 0.002 0.000 0.243 2117 D C 0.719 177.065 176.300 0.076 0.000 1.039 2117 D CA -0.429 53.616 54.000 0.075 0.000 1.052 2117 D CB 1.980 42.807 40.800 0.044 0.000 1.344 2117 D HN -0.060 nan 8.370 nan 0.000 0.553 2118 G N -0.783 108.040 108.800 0.039 0.000 2.576 2118 G HA2 0.178 4.139 3.960 0.002 0.000 0.210 2118 G HA3 0.178 4.139 3.960 0.002 0.000 0.210 2118 G C 1.334 176.197 174.900 -0.061 0.000 1.143 2118 G CA 0.615 45.732 45.100 0.028 0.000 0.819 2118 G HN 0.616 nan 8.290 nan 0.000 0.534 2119 A N 1.714 124.452 122.820 -0.138 0.000 1.972 2119 A HA -0.036 4.285 4.320 0.002 0.000 0.219 2119 A C 2.686 180.299 177.584 0.048 0.000 1.169 2119 A CA 2.469 54.364 52.037 -0.237 0.000 0.635 2119 A CB -0.684 18.265 19.000 -0.084 0.000 0.810 2119 A HN 0.717 nan 8.150 nan 0.000 0.446 2120 S N 0.231 116.005 115.700 0.123 0.000 2.399 2120 S HA -0.108 4.363 4.470 0.002 0.000 0.231 2120 S C 1.715 176.448 174.600 0.222 0.000 1.022 2120 S CA 1.434 59.762 58.200 0.212 0.000 0.983 2120 S CB -0.785 62.491 63.200 0.128 0.000 0.803 2120 S HN 0.456 nan 8.310 nan 0.000 0.480 2121 L N 0.827 122.158 121.223 0.180 0.000 2.450 2121 L HA -0.019 4.322 4.340 0.002 0.000 0.224 2121 L C 2.324 179.291 176.870 0.161 0.000 1.149 2121 L CA 1.108 56.050 54.840 0.170 0.000 0.816 2121 L CB -0.772 41.388 42.059 0.169 0.000 0.932 2121 L HN 0.511 nan 8.230 nan 0.000 0.449 2122 H N -1.916 117.075 119.070 -0.131 0.000 2.551 2122 H HA 0.026 4.583 4.556 0.002 0.000 0.266 2122 H C 1.396 176.350 175.328 -0.624 0.000 0.977 2122 H CA 0.485 56.304 56.048 -0.382 0.000 1.163 2122 H CB 0.396 29.858 29.762 -0.499 0.000 1.381 2122 H HN 0.334 nan 8.280 nan 0.000 0.581 2123 F N 0.056 120.027 119.950 0.035 0.000 2.637 2123 F HA 0.422 4.951 4.527 0.002 0.000 0.284 2123 F C 0.932 176.642 175.800 -0.150 0.000 1.105 2123 F CA 0.063 58.023 58.000 -0.066 0.000 1.356 2123 F CB 0.926 39.868 39.000 -0.098 0.000 1.096 2123 F HN -0.037 nan 8.300 nan 0.000 0.616 2124 A N 0.228 123.063 122.820 0.025 0.000 2.589 2124 A HA 0.613 4.934 4.320 0.002 0.000 0.296 2124 A C -2.758 174.841 177.584 0.026 0.000 1.062 2124 A CA -1.397 50.583 52.037 -0.095 0.000 0.686 2124 A CB 0.653 19.384 19.000 -0.449 0.000 1.282 2124 A HN -0.182 nan 8.150 nan 0.000 0.404 2125 P HA 0.132 nan 4.420 nan 0.000 0.274 2125 P C 0.811 178.191 177.300 0.134 0.000 1.260 2125 P CA -0.325 62.825 63.100 0.083 0.000 0.793 2125 P CB 0.647 32.392 31.700 0.076 0.000 1.048 2126 L N 0.981 122.271 121.223 0.113 0.000 2.131 2126 L HA -0.166 4.175 4.340 0.002 0.000 0.210 2126 L C 2.234 179.186 176.870 0.136 0.000 1.092 2126 L CA 1.811 56.723 54.840 0.121 0.000 0.759 2126 L CB -1.427 40.689 42.059 0.095 0.000 0.903 2126 L HN 0.431 nan 8.230 nan 0.000 0.435 2127 E N -1.055 119.224 120.200 0.131 0.000 2.338 2127 E HA -0.243 4.108 4.350 0.002 0.000 0.197 2127 E C 0.765 177.442 176.600 0.127 0.000 1.007 2127 E CA 0.088 56.553 56.400 0.108 0.000 0.849 2127 E CB -0.746 29.006 29.700 0.086 0.000 0.774 2127 E HN 0.436 nan 8.360 nan 0.000 0.506 2128 F N 4.121 124.093 119.950 0.038 0.000 2.456 2128 F HA 0.216 4.745 4.527 0.003 0.000 0.358 2128 F C -2.021 173.798 175.800 0.032 0.000 1.095 2128 F CA -2.603 55.419 58.000 0.036 0.000 1.216 2128 F CB 0.752 39.779 39.000 0.045 0.000 1.125 2128 F HN -0.171 nan 8.300 nan 0.000 0.549 2129 P HA 0.125 nan 4.420 nan 0.000 0.276 2129 P C -1.152 176.211 177.300 0.105 0.000 1.235 2129 P CA -0.365 62.684 63.100 -0.085 0.000 0.772 2129 P CB 1.222 32.795 31.700 -0.211 0.000 0.871 2130 A N 4.017 126.910 122.820 0.120 0.000 3.026 2130 A HA 0.239 4.560 4.320 0.002 0.000 0.272 2130 A C 0.296 177.921 177.584 0.069 0.000 1.782 2130 A CA -0.293 51.818 52.037 0.122 0.000 1.451 2130 A CB -1.001 18.042 19.000 0.072 0.000 1.081 2130 A HN 0.471 nan 8.150 nan 0.000 0.611 2131 V N 1.940 121.900 119.914 0.076 0.000 2.481 2131 V HA 0.677 4.798 4.120 0.002 0.000 0.286 2131 V C 0.653 176.786 176.094 0.065 0.000 1.042 2131 V CA -0.193 62.134 62.300 0.045 0.000 0.928 2131 V CB 1.290 33.116 31.823 0.005 0.000 0.986 2131 V HN 0.905 nan 8.190 nan 0.000 0.462 2132 A N 4.968 127.821 122.820 0.056 0.000 2.332 2132 A HA 0.311 4.632 4.320 0.002 0.000 0.258 2132 A C 0.293 177.928 177.584 0.085 0.000 1.087 2132 A CA -0.334 51.740 52.037 0.061 0.000 0.802 2132 A CB 0.210 19.236 19.000 0.043 0.000 1.042 2132 A HN 0.966 nan 8.150 nan 0.000 0.489 2133 D N 0.517 120.969 120.400 0.086 0.000 2.424 2133 D HA -0.015 4.626 4.640 0.002 0.000 0.244 2133 D C 0.574 176.949 176.300 0.125 0.000 1.134 2133 D CA 0.021 54.087 54.000 0.109 0.000 0.881 2133 D CB 0.389 41.242 40.800 0.090 0.000 1.191 2133 D HN 0.471 nan 8.370 nan 0.000 0.445 2134 F N 3.489 123.449 119.950 0.017 0.000 2.186 2134 F HA -0.087 4.438 4.527 -0.002 0.000 0.299 2134 F C 2.052 177.858 175.800 0.010 0.000 1.090 2134 F CA 1.133 59.139 58.000 0.011 0.000 1.307 2134 F CB 0.275 39.280 39.000 0.007 0.000 1.019 2134 F HN 0.505 nan 8.300 nan 0.000 0.489 2135 E N -0.480 119.711 120.200 -0.015 0.000 2.072 2135 E HA -0.214 4.137 4.350 0.002 0.000 0.191 2135 E C 2.338 178.854 176.600 -0.139 0.000 0.985 2135 E CA 1.492 57.824 56.400 -0.114 0.000 0.801 2135 E CB -0.433 29.273 29.700 0.010 0.000 0.750 2135 E HN 0.438 nan 8.360 nan 0.000 0.452 2136 C N 0.412 119.672 119.300 -0.066 0.000 2.432 2136 C HA -0.123 4.338 4.460 0.002 0.000 0.277 2136 C C 2.872 177.809 174.990 -0.088 0.000 1.249 2136 C CA 1.176 60.163 59.018 -0.053 0.000 1.725 2136 C CB -0.959 26.779 27.740 -0.002 0.000 2.028 2136 C HN 0.513 nan 8.230 nan 0.000 0.477 2137 T N 0.531 115.020 114.554 -0.108 0.000 2.684 2137 T HA -0.177 4.174 4.350 0.002 0.000 0.267 2137 T C 1.799 176.382 174.700 -0.195 0.000 1.036 2137 T CA 2.227 64.255 62.100 -0.121 0.000 1.148 2137 T CB -0.558 68.258 68.868 -0.086 0.000 0.863 2137 T HN 0.601 nan 8.240 nan 0.000 0.436 2138 T N 2.043 116.383 114.554 -0.357 0.000 2.652 2138 T HA -0.115 4.236 4.350 0.002 0.000 0.267 2138 T C 2.376 176.960 174.700 -0.193 0.000 1.039 2138 T CA 1.364 63.253 62.100 -0.352 0.000 1.153 2138 T CB -0.697 67.846 68.868 -0.541 0.000 0.863 2138 T HN 0.448 nan 8.240 nan 0.000 0.428 2139 A N 1.131 123.856 122.820 -0.158 0.000 1.892 2139 A HA -0.089 4.232 4.320 0.002 0.000 0.218 2139 A C 2.342 179.877 177.584 -0.081 0.000 1.188 2139 A CA 1.548 53.525 52.037 -0.099 0.000 0.631 2139 A CB -0.977 17.977 19.000 -0.076 0.000 0.822 2139 A HN 0.491 nan 8.150 nan 0.000 0.447 2140 L N -0.799 120.377 121.223 -0.078 0.000 2.017 2140 L HA -0.160 4.181 4.340 0.002 0.000 0.208 2140 L C 2.573 179.405 176.870 -0.064 0.000 1.073 2140 L CA 1.166 55.971 54.840 -0.059 0.000 0.745 2140 L CB -0.593 41.440 42.059 -0.044 0.000 0.894 2140 L HN 0.257 nan 8.230 nan 0.000 0.432 2141 V N -0.203 119.666 119.914 -0.076 0.000 2.287 2141 V HA -0.313 3.808 4.120 0.002 0.000 0.248 2141 V C 2.410 178.462 176.094 -0.070 0.000 1.053 2141 V CA 2.000 64.258 62.300 -0.070 0.000 1.027 2141 V CB -0.411 31.367 31.823 -0.075 0.000 0.646 2141 V HN 0.416 nan 8.190 nan 0.000 0.447 2142 E N -0.282 119.872 120.200 -0.076 0.000 2.106 2142 E HA -0.145 4.206 4.350 0.002 0.000 0.192 2142 E C 2.267 178.830 176.600 -0.061 0.000 0.984 2142 E CA 1.235 57.596 56.400 -0.066 0.000 0.806 2142 E CB -0.351 29.308 29.700 -0.068 0.000 0.750 2142 E HN 0.587 nan 8.360 nan 0.000 0.458 2143 A N 0.961 123.744 122.820 -0.061 0.000 1.877 2143 A HA -0.154 4.167 4.320 0.002 0.000 0.216 2143 A C 2.376 179.918 177.584 -0.070 0.000 1.186 2143 A CA 1.805 53.807 52.037 -0.059 0.000 0.620 2143 A CB -0.863 18.106 19.000 -0.052 0.000 0.822 2143 A HN 0.341 nan 8.150 nan 0.000 0.443 2144 A N -0.655 122.120 122.820 -0.075 0.000 1.940 2144 A HA -0.166 4.155 4.320 0.002 0.000 0.219 2144 A C 2.070 179.595 177.584 -0.099 0.000 1.176 2144 A CA 2.294 54.274 52.037 -0.095 0.000 0.631 2144 A CB -0.377 18.572 19.000 -0.084 0.000 0.814 2144 A HN 0.421 nan 8.150 nan 0.000 0.446 2145 K N 0.374 120.727 120.400 -0.078 0.000 2.057 2145 K HA -0.097 4.224 4.320 0.002 0.000 0.206 2145 K C 2.374 178.935 176.600 -0.066 0.000 1.050 2145 K CA 1.641 57.887 56.287 -0.069 0.000 0.935 2145 K CB -0.286 32.181 32.500 -0.055 0.000 0.715 2145 K HN 0.616 nan 8.250 nan 0.000 0.439 2146 S N 0.087 115.749 115.700 -0.063 0.000 2.461 2146 S HA -0.081 4.390 4.470 0.002 0.000 0.228 2146 S C 1.745 176.308 174.600 -0.063 0.000 1.005 2146 S CA 0.817 58.985 58.200 -0.054 0.000 0.942 2146 S CB -0.428 62.745 63.200 -0.045 0.000 0.776 2146 S HN 0.407 nan 8.310 nan 0.000 0.514 2147 I N -1.582 118.935 120.570 -0.088 0.000 3.883 2147 I HA 0.563 4.734 4.170 0.002 0.000 0.326 2147 I C 1.319 177.348 176.117 -0.146 0.000 1.283 2147 I CA 0.352 61.586 61.300 -0.110 0.000 1.161 2147 I CB -0.329 37.591 38.000 -0.132 0.000 1.012 2147 I HN 0.279 nan 8.210 nan 0.000 0.421 2148 G N 1.428 110.153 108.800 -0.125 0.000 2.179 2148 G HA2 -0.248 3.713 3.960 0.002 0.000 0.257 2148 G HA3 -0.248 3.713 3.960 0.002 0.000 0.257 2148 G C 0.474 175.289 174.900 -0.142 0.000 1.010 2148 G CA 0.155 45.191 45.100 -0.106 0.000 0.736 2148 G HN 1.031 nan 8.290 nan 0.000 0.513 2149 A N 0.120 122.796 122.820 -0.239 0.000 2.462 2149 A HA 0.657 4.978 4.320 0.002 0.000 0.243 2149 A C 1.075 178.588 177.584 -0.117 0.000 1.076 2149 A CA 1.071 52.956 52.037 -0.252 0.000 0.773 2149 A CB 0.339 19.114 19.000 -0.374 0.000 1.010 2149 A HN 1.866 nan 8.150 nan 0.000 0.493 2150 T N 1.294 115.816 114.554 -0.054 0.000 2.799 2150 T HA 0.471 4.822 4.350 0.002 0.000 0.296 2150 T C 0.040 174.650 174.700 -0.150 0.000 0.947 2150 T CA 0.205 62.251 62.100 -0.090 0.000 1.141 2150 T CB -0.307 68.535 68.868 -0.043 0.000 0.891 2150 T HN 0.586 nan 8.240 nan 0.000 0.533 2151 T N 5.330 119.725 114.554 -0.264 0.000 2.861 2151 T HA 0.442 4.793 4.350 0.002 0.000 0.287 2151 T C -0.909 173.541 174.700 -0.417 0.000 1.003 2151 T CA -0.764 61.196 62.100 -0.232 0.000 0.977 2151 T CB 0.953 69.743 68.868 -0.129 0.000 0.996 2151 T HN 0.730 nan 8.240 nan 0.000 0.448 2152 H N 0.827 119.903 119.070 0.010 0.000 2.524 2152 H HA 0.635 5.192 4.556 0.002 0.000 0.353 2152 H C -0.981 174.352 175.328 0.009 0.000 1.136 2152 H CA -0.634 55.427 56.048 0.021 0.000 1.193 2152 H CB 2.004 31.782 29.762 0.026 0.000 1.558 2152 H HN 0.256 nan 8.280 nan 0.000 0.515 2153 V N 1.890 121.879 119.914 0.125 0.000 2.487 2153 V HA 0.674 4.795 4.120 0.002 0.000 0.298 2153 V C 0.447 176.580 176.094 0.066 0.000 1.028 2153 V CA -0.152 62.188 62.300 0.066 0.000 0.860 2153 V CB 1.382 33.226 31.823 0.035 0.000 0.991 2153 V HN 1.129 nan 8.190 nan 0.000 0.427 2154 G N 3.374 112.200 108.800 0.043 0.000 2.404 2154 G HA2 0.351 4.312 3.960 0.002 0.000 0.253 2154 G HA3 0.351 4.312 3.960 0.002 0.000 0.253 2154 G C -1.441 173.462 174.900 0.005 0.000 1.253 2154 G CA -0.359 44.759 45.100 0.030 0.000 0.917 2154 G HN 0.520 nan 8.290 nan 0.000 0.480 2155 V N 0.761 120.668 119.914 -0.011 0.000 2.567 2155 V HA 0.660 4.781 4.120 0.002 0.000 0.289 2155 V C 0.257 176.302 176.094 -0.081 0.000 1.049 2155 V CA -0.053 62.222 62.300 -0.043 0.000 0.969 2155 V CB 1.411 33.207 31.823 -0.046 0.000 0.995 2155 V HN 0.778 nan 8.190 nan 0.000 0.471 2156 T N 3.560 118.053 114.554 -0.103 0.000 2.824 2156 T HA 0.623 4.974 4.350 0.002 0.000 0.282 2156 T C -0.091 174.488 174.700 -0.203 0.000 0.993 2156 T CA -0.274 61.746 62.100 -0.132 0.000 0.967 2156 T CB 1.566 70.390 68.868 -0.074 0.000 0.960 2156 T HN 0.908 nan 8.240 nan 0.000 0.441 2157 A N 2.544 125.186 122.820 -0.297 0.000 2.302 2157 A HA 0.602 4.923 4.320 0.002 0.000 0.295 2157 A C 0.430 177.957 177.584 -0.094 0.000 1.235 2157 A CA -0.394 51.426 52.037 -0.361 0.000 0.876 2157 A CB 0.274 18.881 19.000 -0.656 0.000 1.133 2157 A HN 0.633 nan 8.150 nan 0.000 0.533 2158 S N 2.115 117.771 115.700 -0.073 0.000 2.448 2158 S HA 0.533 5.004 4.470 0.002 0.000 0.320 2158 S C -0.127 174.487 174.600 0.023 0.000 1.071 2158 S CA -0.335 57.862 58.200 -0.004 0.000 1.113 2158 S CB 0.491 63.681 63.200 -0.016 0.000 0.972 2158 S HN 0.976 nan 8.310 nan 0.000 0.465 2159 S N 3.383 119.099 115.700 0.026 0.000 2.472 2159 S HA 0.353 4.824 4.470 0.002 0.000 0.303 2159 S C 0.393 174.980 174.600 -0.022 0.000 1.099 2159 S CA -0.632 57.565 58.200 -0.005 0.000 1.077 2159 S CB 1.216 64.353 63.200 -0.104 0.000 1.031 2159 S HN 0.722 nan 8.310 nan 0.000 0.487 2160 D N 2.195 122.591 120.400 -0.006 0.000 2.378 2160 D HA 0.079 4.720 4.640 0.002 0.000 0.222 2160 D C 0.837 177.124 176.300 -0.021 0.000 0.980 2160 D CA 0.965 54.964 54.000 -0.002 0.000 0.907 2160 D CB 0.157 40.972 40.800 0.025 0.000 0.899 2160 D HN 0.726 nan 8.370 nan 0.000 0.527 2161 T N -4.182 110.326 114.554 -0.077 0.000 2.916 2161 T HA 0.305 4.656 4.350 0.002 0.000 0.292 2161 T C 0.474 175.108 174.700 -0.110 0.000 1.055 2161 T CA -0.899 61.166 62.100 -0.058 0.000 1.009 2161 T CB 1.233 70.060 68.868 -0.069 0.000 1.118 2161 T HN -0.118 nan 8.240 nan 0.000 0.497 2162 F N -0.019 119.790 119.950 -0.235 0.000 2.387 2162 F HA 0.209 4.738 4.527 0.002 0.000 0.294 2162 F C 1.023 176.461 175.800 -0.603 0.000 1.093 2162 F CA 0.633 58.373 58.000 -0.433 0.000 1.420 2162 F CB -0.047 38.643 39.000 -0.516 0.000 1.086 2162 F HN 0.665 nan 8.300 nan 0.000 0.531 2163 Y N 0.913 121.196 120.300 -0.028 0.000 2.380 2163 Y HA 0.131 4.682 4.550 0.002 0.000 0.255 2163 Y C -0.390 175.341 175.900 -0.282 0.000 1.051 2163 Y CA 0.410 58.439 58.100 -0.119 0.000 1.097 2163 Y CB -2.167 36.299 38.460 0.010 0.000 1.034 2163 Y HN -0.206 nan 8.280 nan 0.000 0.479 2164 P HA -0.117 nan 4.420 nan 0.000 0.216 2164 P C 1.496 178.502 177.300 -0.490 0.000 1.150 2164 P CA 2.286 65.239 63.100 -0.246 0.000 0.837 2164 P CB -0.302 31.311 31.700 -0.144 0.000 0.786 2165 G N -0.335 108.077 108.800 -0.646 0.000 2.509 2165 G HA2 -0.191 3.770 3.960 0.002 0.000 0.218 2165 G HA3 -0.191 3.770 3.960 0.002 0.000 0.218 2165 G C 1.297 175.785 174.900 -0.687 0.000 1.124 2165 G CA 0.264 44.744 45.100 -1.034 0.000 0.776 2165 G HN 0.379 nan 8.290 nan 0.000 0.547 2166 Q N -0.589 118.767 119.800 -0.740 0.000 2.175 2166 Q HA 0.219 4.561 4.340 0.002 0.000 0.225 2166 Q C -0.012 175.632 176.000 -0.593 0.000 0.837 2166 Q CA -0.315 54.769 55.803 -1.199 0.000 1.032 2166 Q CB 0.499 28.397 28.738 -1.401 0.000 1.137 2166 Q HN 0.540 nan 8.270 nan 0.000 0.483 2167 E N 1.652 121.646 120.200 -0.342 0.000 2.238 2167 E HA -0.247 4.104 4.350 0.002 0.000 0.219 2167 E C -0.857 175.568 176.600 -0.292 0.000 1.275 2167 E CA 0.173 56.425 56.400 -0.247 0.000 0.714 2167 E CB -0.341 29.367 29.700 0.012 0.000 1.154 2167 E HN 0.342 nan 8.360 nan 0.000 0.363 2168 R N -0.132 120.179 120.500 -0.314 0.000 2.390 2168 R HA 0.174 4.515 4.340 0.002 0.000 0.291 2168 R C 0.388 176.538 176.300 -0.250 0.000 1.070 2168 R CA -0.072 55.936 56.100 -0.153 0.000 1.014 2168 R CB 0.452 30.732 30.300 -0.033 0.000 1.007 2168 R HN 0.210 nan 8.270 nan 0.000 0.466 2169 Y N -0.369 119.969 120.300 0.062 0.000 2.481 2169 Y HA 0.084 4.635 4.550 0.001 0.000 0.258 2169 Y C 0.168 176.100 175.900 0.053 0.000 1.103 2169 Y CA -0.146 57.985 58.100 0.051 0.000 1.287 2169 Y CB 0.589 39.067 38.460 0.031 0.000 1.108 2169 Y HN 0.478 nan 8.280 nan 0.000 0.529 2170 D N 1.542 122.056 120.400 0.190 0.000 2.545 2170 D HA 0.119 4.760 4.640 0.002 0.000 0.227 2170 D C 0.188 176.542 176.300 0.090 0.000 1.150 2170 D CA 0.348 54.429 54.000 0.134 0.000 1.046 2170 D CB -0.125 40.759 40.800 0.141 0.000 1.098 2170 D HN 0.226 nan 8.370 nan 0.000 0.502 2171 T N -2.784 111.794 114.554 0.039 0.000 2.838 2171 T HA 0.160 4.511 4.350 0.002 0.000 0.292 2171 T C 0.904 175.601 174.700 -0.005 0.000 1.113 2171 T CA -0.856 61.216 62.100 -0.045 0.000 1.008 2171 T CB 0.772 69.603 68.868 -0.062 0.000 1.259 2171 T HN 0.077 nan 8.240 nan 0.000 0.520 2172 Y N 1.776 122.003 120.300 -0.120 0.000 2.114 2172 Y HA -0.166 4.385 4.550 0.002 0.000 0.282 2172 Y C 2.619 178.497 175.900 -0.036 0.000 1.165 2172 Y CA 2.753 60.807 58.100 -0.076 0.000 1.148 2172 Y CB -0.515 37.892 38.460 -0.089 0.000 0.972 2172 Y HN 0.760 nan 8.280 nan 0.000 0.504 2173 S N -1.429 114.174 115.700 -0.161 0.000 2.470 2173 S HA 0.226 4.697 4.470 0.002 0.000 0.222 2173 S C 1.898 176.441 174.600 -0.096 0.000 1.024 2173 S CA 0.539 58.611 58.200 -0.213 0.000 0.931 2173 S CB -0.363 62.811 63.200 -0.042 0.000 0.791 2173 S HN 1.008 nan 8.310 nan 0.000 0.513 2174 G N 2.037 110.826 108.800 -0.019 0.000 2.175 2174 G HA2 -0.322 3.639 3.960 0.002 0.000 0.265 2174 G HA3 -0.322 3.639 3.960 0.002 0.000 0.265 2174 G C 0.060 175.058 174.900 0.162 0.000 0.979 2174 G CA 0.566 45.712 45.100 0.076 0.000 0.663 2174 G HN 0.905 nan 8.290 nan 0.000 0.533 2175 R N -1.231 119.325 120.500 0.094 0.000 2.828 2175 R HA 0.847 5.188 4.340 0.002 0.000 0.264 2175 R C -0.853 175.471 176.300 0.040 0.000 1.022 2175 R CA -1.072 55.107 56.100 0.131 0.000 1.021 2175 R CB 2.075 32.432 30.300 0.094 0.000 1.163 2175 R HN 0.173 nan 8.270 nan 0.000 0.494 2176 V N 1.479 121.433 119.914 0.067 0.000 2.588 2176 V HA 0.226 4.347 4.120 0.002 0.000 0.304 2176 V C -0.150 176.012 176.094 0.112 0.000 1.042 2176 V CA -1.094 61.205 62.300 -0.003 0.000 0.877 2176 V CB 2.064 33.784 31.823 -0.172 0.000 0.996 2176 V HN 0.624 nan 8.190 nan 0.000 0.425 2177 V N 5.748 125.750 119.914 0.146 0.000 2.901 2177 V HA 0.054 4.175 4.120 0.002 0.000 0.307 2177 V C 1.885 178.092 176.094 0.188 0.000 1.084 2177 V CA 0.777 63.184 62.300 0.178 0.000 1.184 2177 V CB 0.889 32.845 31.823 0.222 0.000 0.941 2177 V HN 0.974 nan 8.190 nan 0.000 0.493 2178 R N 3.338 123.920 120.500 0.137 0.000 2.134 2178 R HA -0.293 4.048 4.340 0.002 0.000 0.248 2178 R C 1.979 178.328 176.300 0.083 0.000 1.143 2178 R CA 2.865 59.025 56.100 0.100 0.000 0.957 2178 R CB -0.663 29.683 30.300 0.077 0.000 0.867 2178 R HN 1.004 nan 8.270 nan 0.000 0.441 2179 H N -1.040 118.021 119.070 -0.016 0.000 2.426 2179 H HA -0.144 4.413 4.556 0.002 0.000 0.298 2179 H C 1.089 176.239 175.328 -0.296 0.000 1.107 2179 H CA 2.291 58.230 56.048 -0.181 0.000 1.298 2179 H CB -0.148 29.454 29.762 -0.267 0.000 1.377 2179 H HN 0.301 nan 8.280 nan 0.000 0.519 2180 F N -0.200 119.736 119.950 -0.024 0.000 2.678 2180 F HA 0.249 4.776 4.527 0.001 0.000 0.305 2180 F C 0.862 176.634 175.800 -0.046 0.000 1.090 2180 F CA -0.309 57.650 58.000 -0.067 0.000 1.272 2180 F CB 0.374 39.392 39.000 0.030 0.000 1.060 2180 F HN -0.172 nan 8.300 nan 0.000 0.576 2181 K N 0.673 121.143 120.400 0.118 0.000 2.416 2181 K HA 0.234 4.555 4.320 0.002 0.000 0.283 2181 K C 1.136 177.762 176.600 0.043 0.000 1.037 2181 K CA 0.862 57.225 56.287 0.126 0.000 0.995 2181 K CB 0.288 32.854 32.500 0.111 0.000 0.938 2181 K HN 0.371 nan 8.250 nan 0.000 0.475 2182 G N 2.034 110.879 108.800 0.074 0.000 2.155 2182 G HA2 -0.337 3.624 3.960 0.002 0.000 0.257 2182 G HA3 -0.337 3.624 3.960 0.002 0.000 0.257 2182 G C 0.842 175.677 174.900 -0.108 0.000 0.983 2182 G CA 0.886 45.981 45.100 -0.008 0.000 0.676 2182 G HN 0.704 nan 8.290 nan 0.000 0.528 2183 S N -0.816 114.824 115.700 -0.099 0.000 2.387 2183 S HA 0.080 4.551 4.470 0.002 0.000 0.226 2183 S C 2.254 176.645 174.600 -0.349 0.000 1.026 2183 S CA 1.506 59.516 58.200 -0.315 0.000 0.972 2183 S CB -0.260 62.895 63.200 -0.075 0.000 0.814 2183 S HN 0.581 nan 8.310 nan 0.000 0.477 2184 M N 1.637 121.268 119.600 0.051 0.000 2.108 2184 M HA -0.163 4.318 4.480 0.002 0.000 0.261 2184 M C 2.397 178.713 176.300 0.026 0.000 1.066 2184 M CA 2.246 57.657 55.300 0.185 0.000 1.107 2184 M CB -0.284 32.482 32.600 0.277 0.000 1.356 2184 M HN 0.570 nan 8.290 nan 0.000 0.406 2185 E N -0.195 119.989 120.200 -0.028 0.000 2.110 2185 E HA -0.221 4.130 4.350 0.002 0.000 0.193 2185 E C 1.814 178.354 176.600 -0.099 0.000 0.988 2185 E CA 1.207 57.582 56.400 -0.041 0.000 0.804 2185 E CB -0.007 29.671 29.700 -0.035 0.000 0.745 2185 E HN 0.522 nan 8.360 nan 0.000 0.458 2186 E N -0.060 119.992 120.200 -0.247 0.000 2.051 2186 E HA -0.182 4.169 4.350 0.002 0.000 0.192 2186 E C 1.842 178.341 176.600 -0.169 0.000 0.991 2186 E CA 1.353 57.563 56.400 -0.316 0.000 0.799 2186 E CB -0.306 29.043 29.700 -0.585 0.000 0.748 2186 E HN 0.506 nan 8.360 nan 0.000 0.449 2187 W N 1.719 123.005 121.300 -0.023 0.000 2.338 2187 W HA -0.213 4.447 4.660 0.001 0.000 0.304 2187 W C 2.562 179.038 176.519 -0.072 0.000 1.212 2187 W CA 0.626 57.934 57.345 -0.063 0.000 1.264 2187 W CB -0.279 29.102 29.460 -0.132 0.000 1.142 2187 W HN 0.159 nan 8.180 nan 0.000 0.512 2188 Q N 0.605 120.482 119.800 0.129 0.000 2.096 2188 Q HA -0.158 4.183 4.340 0.002 0.000 0.204 2188 Q C 2.416 178.450 176.000 0.057 0.000 0.982 2188 Q CA 1.581 57.422 55.803 0.064 0.000 0.850 2188 Q CB -0.940 27.820 28.738 0.035 0.000 0.901 2188 Q HN 0.330 nan 8.270 nan 0.000 0.422 2189 A N 1.194 124.037 122.820 0.039 0.000 2.019 2189 A HA -0.093 4.228 4.320 0.002 0.000 0.219 2189 A C 1.966 179.579 177.584 0.047 0.000 1.164 2189 A CA 1.237 53.290 52.037 0.027 0.000 0.644 2189 A CB -0.419 18.581 19.000 -0.000 0.000 0.805 2189 A HN 0.332 nan 8.150 nan 0.000 0.449 2190 M N -1.356 118.294 119.600 0.083 0.000 2.561 2190 M HA 0.188 4.669 4.480 0.002 0.000 0.238 2190 M C 1.307 177.657 176.300 0.083 0.000 1.131 2190 M CA 0.749 56.110 55.300 0.101 0.000 1.046 2190 M CB 0.303 33.011 32.600 0.179 0.000 1.532 2190 M HN 0.603 nan 8.290 nan 0.000 0.497 2191 G N 0.451 109.293 108.800 0.070 0.000 2.176 2191 G HA2 -0.204 3.757 3.960 0.002 0.000 0.253 2191 G HA3 -0.204 3.757 3.960 0.002 0.000 0.253 2191 G C 0.102 175.023 174.900 0.035 0.000 0.979 2191 G CA -0.214 44.919 45.100 0.055 0.000 0.641 2191 G HN 0.299 nan 8.290 nan 0.000 0.530 2192 V N 1.772 121.705 119.914 0.032 0.000 2.673 2192 V HA 0.175 4.296 4.120 0.002 0.000 0.303 2192 V C 1.859 177.908 176.094 -0.075 0.000 1.046 2192 V CA 1.240 63.518 62.300 -0.037 0.000 1.126 2192 V CB 1.212 32.994 31.823 -0.068 0.000 0.934 2192 V HN 0.401 nan 8.190 nan 0.000 0.487 2193 M N 3.138 122.678 119.600 -0.100 0.000 2.287 2193 M HA 0.105 4.586 4.480 0.002 0.000 0.266 2193 M C 0.573 176.779 176.300 -0.157 0.000 1.079 2193 M CA 0.968 56.195 55.300 -0.121 0.000 1.146 2193 M CB 0.055 32.601 32.600 -0.089 0.000 1.374 2193 M HN 0.966 nan 8.290 nan 0.000 0.435 2194 N N -1.771 116.819 118.700 -0.184 0.000 3.046 2194 N HA 0.161 4.902 4.740 0.002 0.000 0.243 2194 N C -1.992 173.390 175.510 -0.215 0.000 1.452 2194 N CA -0.668 52.281 53.050 -0.169 0.000 0.882 2194 N CB 1.029 39.469 38.487 -0.078 0.000 1.425 2194 N HN -0.116 nan 8.380 nan 0.000 0.517 2195 Y N -0.201 120.048 120.300 -0.085 0.000 2.377 2195 Y HA 0.516 5.068 4.550 0.003 0.000 0.339 2195 Y C 0.291 176.133 175.900 -0.096 0.000 1.011 2195 Y CA -0.129 57.906 58.100 -0.109 0.000 1.093 2195 Y CB 1.577 39.953 38.460 -0.140 0.000 1.201 2195 Y HN 0.810 nan 8.280 nan 0.000 0.455 2196 E N -0.001 120.260 120.200 0.102 0.000 2.408 2196 E HA 0.497 4.848 4.350 0.002 0.000 0.266 2196 E C -1.039 175.580 176.600 0.031 0.000 1.025 2196 E CA -0.721 55.708 56.400 0.048 0.000 0.881 2196 E CB 1.085 30.805 29.700 0.034 0.000 1.660 2196 E HN 0.454 nan 8.360 nan 0.000 0.458 2197 M N -0.524 119.092 119.600 0.026 0.000 2.300 2197 M HA 0.333 4.814 4.480 0.002 0.000 0.313 2197 M C 0.007 176.314 176.300 0.012 0.000 0.988 2197 M CA 0.229 55.539 55.300 0.017 0.000 1.012 2197 M CB 0.621 33.237 32.600 0.026 0.000 1.586 2197 M HN 0.503 nan 8.290 nan 0.000 0.562 2198 E N -0.506 119.700 120.200 0.010 0.000 2.474 2198 E HA 0.064 4.415 4.350 0.002 0.000 0.215 2198 E C 1.875 178.471 176.600 -0.007 0.000 0.867 2198 E CA 0.597 56.999 56.400 0.003 0.000 1.135 2198 E CB 0.347 30.051 29.700 0.007 0.000 1.147 2198 E HN 0.314 nan 8.360 nan 0.000 0.534 2199 S N 0.927 116.624 115.700 -0.005 0.000 2.368 2199 S HA -0.125 4.346 4.470 0.002 0.000 0.225 2199 S C 2.257 176.850 174.600 -0.013 0.000 1.030 2199 S CA 0.971 59.165 58.200 -0.010 0.000 0.999 2199 S CB -0.391 62.804 63.200 -0.007 0.000 0.844 2199 S HN 0.231 nan 8.310 nan 0.000 0.459 2200 A N 1.899 124.716 122.820 -0.006 0.000 1.883 2200 A HA -0.084 4.237 4.320 0.002 0.000 0.217 2200 A C 2.448 180.036 177.584 0.006 0.000 1.186 2200 A CA 2.290 54.331 52.037 0.007 0.000 0.624 2200 A CB -1.758 17.250 19.000 0.015 0.000 0.822 2200 A HN 0.572 nan 8.150 nan 0.000 0.444 2201 T N -0.066 114.484 114.554 -0.007 0.000 2.674 2201 T HA -0.130 4.221 4.350 0.002 0.000 0.265 2201 T C 1.880 176.510 174.700 -0.115 0.000 1.039 2201 T CA 1.516 63.599 62.100 -0.027 0.000 1.150 2201 T CB -0.468 68.391 68.868 -0.014 0.000 0.864 2201 T HN 0.345 nan 8.240 nan 0.000 0.427 2202 L N 1.055 122.210 121.223 -0.113 0.000 1.990 2202 L HA -0.055 4.286 4.340 0.002 0.000 0.213 2202 L C 2.204 178.982 176.870 -0.154 0.000 1.072 2202 L CA 1.753 56.492 54.840 -0.169 0.000 0.755 2202 L CB -0.718 41.278 42.059 -0.105 0.000 0.889 2202 L HN 0.262 nan 8.230 nan 0.000 0.432 2203 L N -1.489 119.693 121.223 -0.068 0.000 2.093 2203 L HA -0.162 4.179 4.340 0.002 0.000 0.208 2203 L C 2.312 179.180 176.870 -0.003 0.000 1.085 2203 L CA 1.556 56.385 54.840 -0.018 0.000 0.755 2203 L CB -1.005 41.066 42.059 0.021 0.000 0.904 2203 L HN 0.310 nan 8.230 nan 0.000 0.435 2204 T N 0.500 115.045 114.554 -0.016 0.000 2.770 2204 T HA -0.175 4.176 4.350 0.002 0.000 0.263 2204 T C 1.880 176.480 174.700 -0.166 0.000 1.039 2204 T CA 1.717 63.820 62.100 0.006 0.000 1.142 2204 T CB -0.203 68.696 68.868 0.052 0.000 0.868 2204 T HN 0.417 nan 8.240 nan 0.000 0.435 2205 M N 0.421 119.802 119.600 -0.366 0.000 2.159 2205 M HA -0.048 4.434 4.480 0.002 0.000 0.263 2205 M C 2.245 178.275 176.300 -0.450 0.000 1.063 2205 M CA 1.587 56.432 55.300 -0.758 0.000 1.110 2205 M CB -1.169 30.523 32.600 -1.513 0.000 1.374 2205 M HN 0.187 nan 8.290 nan 0.000 0.411 2206 C N 1.297 120.422 119.300 -0.291 0.000 2.500 2206 C HA 0.174 4.635 4.460 0.002 0.000 0.279 2206 C C 3.320 178.292 174.990 -0.031 0.000 1.288 2206 C CA 0.884 59.816 59.018 -0.144 0.000 1.710 2206 C CB -1.215 26.479 27.740 -0.077 0.000 2.052 2206 C HN 0.768 nan 8.230 nan 0.000 0.488 2207 A N 1.302 124.141 122.820 0.031 0.000 1.948 2207 A HA -0.179 4.142 4.320 0.002 0.000 0.220 2207 A C 2.156 179.832 177.584 0.153 0.000 1.177 2207 A CA 2.368 54.498 52.037 0.156 0.000 0.636 2207 A CB -0.753 18.431 19.000 0.306 0.000 0.815 2207 A HN 0.733 nan 8.150 nan 0.000 0.449 2208 S N -1.759 113.913 115.700 -0.047 0.000 2.631 2208 S HA 0.151 4.622 4.470 0.002 0.000 0.217 2208 S C 0.905 175.464 174.600 -0.070 0.000 0.958 2208 S CA 0.439 58.530 58.200 -0.181 0.000 0.920 2208 S CB 0.013 62.904 63.200 -0.514 0.000 0.776 2208 S HN 0.664 nan 8.310 nan 0.000 0.517 2209 Q N 0.053 119.834 119.800 -0.032 0.000 2.086 2209 Q HA 0.341 4.682 4.340 0.002 0.000 0.220 2209 Q C 0.729 176.745 176.000 0.027 0.000 0.792 2209 Q CA 0.051 55.851 55.803 -0.005 0.000 1.062 2209 Q CB 1.057 29.777 28.738 -0.029 0.000 1.198 2209 Q HN 0.615 nan 8.270 nan 0.000 0.466 2210 G N 1.468 110.296 108.800 0.046 0.000 2.153 2210 G HA2 -0.278 3.683 3.960 0.002 0.000 0.252 2210 G HA3 -0.278 3.683 3.960 0.002 0.000 0.252 2210 G C -0.049 174.894 174.900 0.071 0.000 0.994 2210 G CA 0.196 45.332 45.100 0.060 0.000 0.698 2210 G HN 0.260 nan 8.290 nan 0.000 0.521 2211 L N -0.255 121.016 121.223 0.080 0.000 2.343 2211 L HA 0.593 4.934 4.340 0.002 0.000 0.275 2211 L C 1.069 178.020 176.870 0.136 0.000 1.056 2211 L CA -1.058 53.863 54.840 0.136 0.000 0.804 2211 L CB 1.166 43.346 42.059 0.200 0.000 1.203 2211 L HN 0.056 nan 8.230 nan 0.000 0.440 2212 R N 1.935 122.523 120.500 0.146 0.000 2.265 2212 R HA 0.684 5.025 4.340 0.002 0.000 0.314 2212 R C -0.609 175.795 176.300 0.173 0.000 1.053 2212 R CA -0.371 55.803 56.100 0.123 0.000 0.931 2212 R CB 1.328 31.674 30.300 0.077 0.000 1.024 2212 R HN 0.710 nan 8.270 nan 0.000 0.457 2213 A N 1.668 124.568 122.820 0.132 0.000 2.435 2213 A HA 0.815 5.136 4.320 0.002 0.000 0.304 2213 A C -0.615 177.017 177.584 0.080 0.000 1.064 2213 A CA -0.659 51.458 52.037 0.134 0.000 0.727 2213 A CB 2.140 21.195 19.000 0.091 0.000 1.284 2213 A HN 0.757 nan 8.150 nan 0.000 0.415 2214 G N -0.276 108.567 108.800 0.071 0.000 2.619 2214 G HA2 0.686 4.647 3.960 0.002 0.000 0.296 2214 G HA3 0.686 4.647 3.960 0.002 0.000 0.296 2214 G C -1.207 173.714 174.900 0.035 0.000 1.334 2214 G CA -0.536 44.587 45.100 0.037 0.000 0.934 2214 G HN 1.222 nan 8.290 nan 0.000 0.476 2215 M N 1.611 121.223 119.600 0.020 0.000 2.271 2215 M HA 0.711 5.192 4.480 0.002 0.000 0.285 2215 M C -1.935 174.372 176.300 0.012 0.000 1.059 2215 M CA -0.801 54.510 55.300 0.019 0.000 0.940 2215 M CB 1.975 34.584 32.600 0.015 0.000 1.636 2215 M HN 0.788 nan 8.290 nan 0.000 0.460 2216 V N 4.103 124.025 119.914 0.014 0.000 2.841 2216 V HA 1.045 5.166 4.120 0.002 0.000 0.310 2216 V C -1.697 174.408 176.094 0.017 0.000 1.090 2216 V CA 0.186 62.493 62.300 0.012 0.000 0.930 2216 V CB 1.976 33.803 31.823 0.006 0.000 1.014 2216 V HN 1.261 nan 8.190 nan 0.000 0.425 2217 A N 3.779 126.612 122.820 0.021 0.000 2.515 2217 A HA 0.913 5.234 4.320 0.002 0.000 0.298 2217 A C -0.197 177.407 177.584 0.032 0.000 1.059 2217 A CA -0.160 51.892 52.037 0.025 0.000 0.698 2217 A CB 1.859 20.873 19.000 0.022 0.000 1.289 2217 A HN 1.621 nan 8.150 nan 0.000 0.404 2218 G N 0.090 108.910 108.800 0.034 0.000 2.356 2218 G HA2 0.516 4.477 3.960 0.002 0.000 0.298 2218 G HA3 0.516 4.477 3.960 0.002 0.000 0.298 2218 G C -0.445 174.476 174.900 0.034 0.000 1.145 2218 G CA -0.310 44.815 45.100 0.041 0.000 0.850 2218 G HN 0.888 nan 8.290 nan 0.000 0.487 2219 V N 3.568 123.504 119.914 0.036 0.000 2.439 2219 V HA 0.099 4.220 4.120 0.002 0.000 0.271 2219 V C 1.261 177.369 176.094 0.023 0.000 1.040 2219 V CA 0.072 62.387 62.300 0.025 0.000 1.002 2219 V CB 0.720 32.554 31.823 0.019 0.000 1.000 2219 V HN 0.769 nan 8.190 nan 0.000 0.477 2220 I N 3.398 123.983 120.570 0.025 0.000 4.057 2220 I HA 0.518 4.689 4.170 0.002 0.000 0.334 2220 I C 0.237 176.371 176.117 0.028 0.000 1.308 2220 I CA 0.323 61.639 61.300 0.026 0.000 1.125 2220 I CB 0.916 38.935 38.000 0.031 0.000 1.034 2220 I HN 0.403 nan 8.210 nan 0.000 0.401 2221 V N 1.177 121.106 119.914 0.025 0.000 3.077 2221 V HA 0.420 4.541 4.120 0.002 0.000 0.299 2221 V C -1.772 174.328 176.094 0.010 0.000 1.276 2221 V CA -0.623 61.691 62.300 0.023 0.000 0.993 2221 V CB 2.363 34.207 31.823 0.034 0.000 1.076 2221 V HN 0.342 nan 8.190 nan 0.000 0.434 2222 N N 4.753 123.457 118.700 0.007 0.000 2.469 2222 N HA 0.361 5.102 4.740 0.002 0.000 0.253 2222 N C 0.612 176.128 175.510 0.011 0.000 0.970 2222 N CA -0.570 52.478 53.050 -0.003 0.000 0.940 2222 N CB 1.539 40.017 38.487 -0.015 0.000 1.128 2222 N HN 0.594 nan 8.380 nan 0.000 0.503 2223 R N 1.047 121.558 120.500 0.019 0.000 2.328 2223 R HA -0.036 4.305 4.340 0.002 0.000 0.207 2223 R C 1.309 177.635 176.300 0.042 0.000 1.056 2223 R CA 0.756 56.880 56.100 0.040 0.000 1.016 2223 R CB -0.680 29.667 30.300 0.078 0.000 0.872 2223 R HN 0.660 nan 8.270 nan 0.000 0.471 2224 T N -3.375 111.195 114.554 0.025 0.000 3.148 2224 T HA 0.049 4.400 4.350 0.002 0.000 0.253 2224 T C 1.491 176.206 174.700 0.025 0.000 1.134 2224 T CA 0.487 62.603 62.100 0.026 0.000 1.051 2224 T CB 0.265 69.142 68.868 0.015 0.000 0.959 2224 T HN 0.205 nan 8.240 nan 0.000 0.525 2225 Q N -0.444 119.371 119.800 0.025 0.000 2.422 2225 Q HA 0.386 4.727 4.340 0.002 0.000 0.255 2225 Q C 0.364 176.382 176.000 0.031 0.000 0.864 2225 Q CA 0.080 55.898 55.803 0.025 0.000 0.968 2225 Q CB 0.947 29.697 28.738 0.020 0.000 1.130 2225 Q HN 0.479 nan 8.270 nan 0.000 0.556 2226 Q N -1.140 118.682 119.800 0.036 0.000 2.527 2226 Q HA 0.172 4.513 4.340 0.002 0.000 0.280 2226 Q C -0.700 175.328 176.000 0.046 0.000 0.977 2226 Q CA -0.156 55.673 55.803 0.043 0.000 0.837 2226 Q CB 1.872 30.633 28.738 0.039 0.000 1.454 2226 Q HN 0.012 nan 8.270 nan 0.000 0.387 2227 E N 0.521 120.756 120.200 0.059 0.000 2.162 2227 E HA 0.123 4.474 4.350 0.002 0.000 0.193 2227 E C 0.076 176.716 176.600 0.066 0.000 0.953 2227 E CA 0.488 56.919 56.400 0.052 0.000 0.849 2227 E CB 0.699 30.451 29.700 0.086 0.000 0.810 2227 E HN 0.302 nan 8.360 nan 0.000 0.470 2228 I N 2.547 123.176 120.570 0.098 0.000 2.354 2228 I HA 0.276 4.447 4.170 0.002 0.000 0.292 2228 I C -2.340 173.832 176.117 0.092 0.000 0.989 2228 I CA -3.221 58.157 61.300 0.129 0.000 1.188 2228 I CB 0.737 38.821 38.000 0.139 0.000 1.342 2228 I HN -0.211 nan 8.210 nan 0.000 0.457 2229 P HA 0.090 nan 4.420 nan 0.000 0.267 2229 P C 0.036 177.365 177.300 0.048 0.000 1.200 2229 P CA -0.095 63.044 63.100 0.065 0.000 0.772 2229 P CB 0.550 32.293 31.700 0.071 0.000 0.855 2240 H N 2.109 121.172 119.070 -0.011 0.000 2.357 2240 H HA 0.328 4.886 4.556 0.003 0.000 0.301 2240 H C 2.268 177.589 175.328 -0.012 0.000 1.082 2240 H CA 1.850 57.892 56.048 -0.011 0.000 1.342 2240 H CB -0.561 29.197 29.762 -0.008 0.000 1.389 2240 H HN 0.498 nan 8.280 nan 0.000 0.511 2241 A N 0.071 122.965 122.820 0.123 0.000 1.933 2241 A HA -0.103 4.218 4.320 0.002 0.000 0.218 2241 A C 2.769 180.371 177.584 0.031 0.000 1.175 2241 A CA 1.555 53.625 52.037 0.054 0.000 0.628 2241 A CB -0.772 18.255 19.000 0.045 0.000 0.814 2241 A HN 0.243 nan 8.150 nan 0.000 0.444 2242 V N -0.124 119.808 119.914 0.032 0.000 2.295 2242 V HA -0.269 3.852 4.120 0.002 0.000 0.246 2242 V C 2.467 178.567 176.094 0.009 0.000 1.049 2242 V CA 2.413 64.720 62.300 0.012 0.000 1.024 2242 V CB -0.686 31.137 31.823 0.000 0.000 0.648 2242 V HN 0.535 nan 8.190 nan 0.000 0.447 2243 K N -0.234 120.180 120.400 0.024 0.000 2.074 2243 K HA -0.154 4.168 4.320 0.002 0.000 0.209 2243 K C 1.928 178.523 176.600 -0.008 0.000 1.048 2243 K CA 1.692 57.987 56.287 0.013 0.000 0.926 2243 K CB -0.335 32.187 32.500 0.036 0.000 0.713 2243 K HN 0.414 nan 8.250 nan 0.000 0.444 2244 I N -0.546 120.016 120.570 -0.013 0.000 2.202 2244 I HA -0.250 3.921 4.170 0.002 0.000 0.242 2244 I C 2.157 178.261 176.117 -0.022 0.000 1.091 2244 I CA 0.777 62.059 61.300 -0.030 0.000 1.368 2244 I CB -0.188 37.789 38.000 -0.039 0.000 1.058 2244 I HN 0.005 nan 8.210 nan 0.000 0.410 2245 V N 0.366 120.274 119.914 -0.011 0.000 2.407 2245 V HA -0.222 3.900 4.120 0.002 0.000 0.248 2245 V C 2.373 178.460 176.094 -0.012 0.000 1.055 2245 V CA 1.737 64.032 62.300 -0.008 0.000 1.049 2245 V CB 0.098 31.921 31.823 0.001 0.000 0.662 2245 V HN 0.214 nan 8.190 nan 0.000 0.455 2246 V N 0.046 119.953 119.914 -0.012 0.000 2.307 2246 V HA -0.201 3.920 4.120 0.002 0.000 0.245 2246 V C 2.527 178.611 176.094 -0.017 0.000 1.045 2246 V CA 2.260 64.552 62.300 -0.013 0.000 1.024 2246 V CB -0.668 31.148 31.823 -0.012 0.000 0.651 2246 V HN 0.690 nan 8.190 nan 0.000 0.449 2247 E N 0.889 121.077 120.200 -0.020 0.000 2.110 2247 E HA -0.168 4.183 4.350 0.002 0.000 0.193 2247 E C 2.053 178.636 176.600 -0.029 0.000 0.988 2247 E CA 1.657 58.042 56.400 -0.025 0.000 0.804 2247 E CB -0.431 29.251 29.700 -0.030 0.000 0.745 2247 E HN 0.513 nan 8.360 nan 0.000 0.458 2248 A N 0.851 123.653 122.820 -0.030 0.000 1.898 2248 A HA 0.011 4.332 4.320 0.002 0.000 0.216 2248 A C 2.480 180.046 177.584 -0.030 0.000 1.181 2248 A CA 1.955 53.971 52.037 -0.034 0.000 0.620 2248 A CB -1.087 17.893 19.000 -0.034 0.000 0.819 2248 A HN 0.393 nan 8.150 nan 0.000 0.442 2249 A N -0.213 122.592 122.820 -0.025 0.000 1.917 2249 A HA -0.241 4.080 4.320 0.002 0.000 0.219 2249 A C 2.222 179.791 177.584 -0.025 0.000 1.182 2249 A CA 2.033 54.055 52.037 -0.025 0.000 0.633 2249 A CB -0.532 18.455 19.000 -0.021 0.000 0.819 2249 A HN 0.544 nan 8.150 nan 0.000 0.448 2250 R N -0.627 119.859 120.500 -0.022 0.000 2.091 2250 R HA -0.132 4.209 4.340 0.002 0.000 0.238 2250 R C 2.267 178.553 176.300 -0.022 0.000 1.136 2250 R CA 1.882 57.970 56.100 -0.020 0.000 0.959 2250 R CB -0.189 30.100 30.300 -0.019 0.000 0.856 2250 R HN 0.526 nan 8.270 nan 0.000 0.437 2251 R N -0.436 120.048 120.500 -0.026 0.000 2.236 2251 R HA 0.032 4.373 4.340 0.002 0.000 0.208 2251 R C 1.479 177.763 176.300 -0.028 0.000 1.036 2251 R CA 0.624 56.707 56.100 -0.028 0.000 1.001 2251 R CB 0.150 30.429 30.300 -0.036 0.000 0.896 2251 R HN 0.245 nan 8.270 nan 0.000 0.464 2252 L N 0.300 121.506 121.223 -0.029 0.000 2.607 2252 L HA 0.193 4.534 4.340 0.002 0.000 0.228 2252 L C 0.468 177.322 176.870 -0.026 0.000 1.123 2252 L CA -0.194 54.629 54.840 -0.028 0.000 0.890 2252 L CB 0.161 42.201 42.059 -0.031 0.000 1.103 2252 L HN 0.078 nan 8.230 nan 0.000 0.468 2253 L N 0.000 121.209 121.223 -0.024 0.000 2.949 2253 L HA 0.000 4.341 4.340 0.002 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