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_k 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 0.000 174.589 174.600 -0.019 0.000 1.055 2004 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 2004 S CB 0.000 63.155 63.200 -0.075 0.000 0.593 2005 D N 1.267 121.663 120.400 -0.007 0.000 2.327 2005 D HA 0.164 4.804 4.640 0.000 0.000 0.205 2005 D C 0.929 177.243 176.300 0.023 0.000 0.989 2005 D CA 1.335 55.341 54.000 0.009 0.000 0.873 2005 D CB 0.655 41.462 40.800 0.011 0.000 0.955 2005 D HN 0.586 nan 8.370 nan 0.000 0.515 2006 V N -1.988 117.935 119.914 0.015 0.000 2.815 2006 V HA 0.379 4.499 4.120 0.000 0.000 0.314 2006 V C 0.898 177.011 176.094 0.032 0.000 1.064 2006 V CA -1.007 61.319 62.300 0.043 0.000 0.952 2006 V CB 1.723 33.566 31.823 0.034 0.000 1.020 2006 V HN -0.101 nan 8.190 nan 0.000 0.439 2007 F N 1.026 120.933 119.950 -0.072 0.000 2.234 2007 F HA 0.004 4.531 4.527 0.000 0.000 0.299 2007 F C 1.854 177.465 175.800 -0.316 0.000 1.087 2007 F CA 2.303 60.186 58.000 -0.195 0.000 1.340 2007 F CB 0.182 39.041 39.000 -0.236 0.000 1.031 2007 F HN 0.838 nan 8.300 nan 0.000 0.500 2008 H N -1.458 117.533 119.070 -0.131 0.000 2.501 2008 H HA 0.225 4.781 4.556 0.000 0.000 0.281 2008 H C 1.941 177.182 175.328 -0.146 0.000 0.988 2008 H CA 0.805 56.748 56.048 -0.174 0.000 1.232 2008 H CB -0.108 29.600 29.762 -0.091 0.000 1.455 2008 H HN 0.078 nan 8.280 nan 0.000 0.501 2009 L N -0.038 121.159 121.223 -0.044 0.000 2.376 2009 L HA 0.125 4.465 4.340 0.000 0.000 0.219 2009 L C 1.009 177.940 176.870 0.102 0.000 1.133 2009 L CA 0.644 55.493 54.840 0.014 0.000 0.816 2009 L CB -0.360 41.669 42.059 -0.051 0.000 0.933 2009 L HN 0.517 nan 8.230 nan 0.000 0.449 2010 G N 1.471 110.242 108.800 -0.048 0.000 2.338 2010 G HA2 -0.268 3.692 3.960 0.000 0.000 0.296 2010 G HA3 -0.268 3.692 3.960 0.000 0.000 0.296 2010 G C -0.209 174.715 174.900 0.041 0.000 1.040 2010 G CA 0.148 45.212 45.100 -0.060 0.000 1.004 2010 G HN 0.259 nan 8.290 nan 0.000 0.509 2011 L N -0.356 120.877 121.223 0.016 0.000 2.323 2011 L HA 0.870 5.210 4.340 0.000 0.000 0.265 2011 L C 0.685 177.559 176.870 0.006 0.000 1.012 2011 L CA -0.639 54.212 54.840 0.019 0.000 0.820 2011 L CB 2.463 44.538 42.059 0.026 0.000 1.334 2011 L HN 0.369 nan 8.230 nan 0.000 0.427 2012 T N -3.620 110.937 114.554 0.005 0.000 2.932 2012 T HA 0.323 4.673 4.350 0.000 0.000 0.289 2012 T C 0.694 175.397 174.700 0.004 0.000 1.039 2012 T CA -0.885 61.217 62.100 0.003 0.000 1.024 2012 T CB 2.161 71.029 68.868 -0.001 0.000 1.090 2012 T HN 0.482 nan 8.240 nan 0.000 0.496 2013 K N 0.801 121.205 120.400 0.005 0.000 2.107 2013 K HA -0.236 4.084 4.320 0.000 0.000 0.211 2013 K C 1.902 178.502 176.600 0.001 0.000 1.049 2013 K CA 1.662 57.952 56.287 0.004 0.000 0.927 2013 K CB -0.400 32.103 32.500 0.005 0.000 0.714 2013 K HN 0.706 nan 8.250 nan 0.000 0.452 2014 N N 0.870 119.569 118.700 -0.001 0.000 2.188 2014 N HA -0.148 4.592 4.740 0.000 0.000 0.184 2014 N C 1.112 176.619 175.510 -0.006 0.000 1.018 2014 N CA 1.061 54.108 53.050 -0.004 0.000 0.858 2014 N CB 0.012 38.496 38.487 -0.005 0.000 0.989 2014 N HN 0.173 nan 8.380 nan 0.000 0.426 2015 D N 0.810 121.206 120.400 -0.006 0.000 2.190 2015 D HA -0.142 4.498 4.640 0.000 0.000 0.200 2015 D C 1.833 178.129 176.300 -0.007 0.000 0.992 2015 D CA 0.636 54.630 54.000 -0.010 0.000 0.854 2015 D CB -0.030 40.765 40.800 -0.008 0.000 0.936 2015 D HN 0.254 nan 8.370 nan 0.000 0.462 2016 L N 0.071 121.292 121.223 -0.003 0.000 2.313 2016 L HA -0.002 4.338 4.340 0.000 0.000 0.214 2016 L C 0.869 177.736 176.870 -0.006 0.000 1.119 2016 L CA 0.690 55.529 54.840 -0.003 0.000 0.809 2016 L CB -0.298 41.758 42.059 -0.005 0.000 0.933 2016 L HN -0.000 nan 8.230 nan 0.000 0.449 2017 Q N -0.468 119.329 119.800 -0.006 0.000 2.453 2017 Q HA -0.278 4.062 4.340 0.000 0.000 0.294 2017 Q C 1.058 177.054 176.000 -0.007 0.000 1.295 2017 Q CA 0.368 56.167 55.803 -0.006 0.000 0.853 2017 Q CB -1.648 27.087 28.738 -0.005 0.000 1.193 2017 Q HN 0.641 nan 8.270 nan 0.000 0.461 2018 G N -2.327 106.468 108.800 -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 0.261 175.150 174.900 -0.019 0.000 0.979 2018 G CA 0.110 45.203 45.100 -0.012 0.000 0.641 2018 G HN 1.170 nan 8.290 nan 0.000 0.530 2019 A N 0.360 123.168 122.820 -0.021 0.000 2.540 2019 A HA 0.579 4.899 4.320 0.000 0.000 0.239 2019 A C 1.452 179.004 177.584 -0.053 0.000 1.061 2019 A CA 1.894 53.910 52.037 -0.034 0.000 0.758 2019 A CB 0.202 19.184 19.000 -0.030 0.000 0.991 2019 A HN 1.690 nan 8.150 nan 0.000 0.502 2020 T N 0.024 114.536 114.554 -0.071 0.000 3.058 2020 T HA 0.410 4.760 4.350 0.000 0.000 0.278 2020 T C -0.021 174.579 174.700 -0.166 0.000 0.974 2020 T CA 0.018 62.057 62.100 -0.101 0.000 0.893 2020 T CB -0.503 68.324 68.868 -0.068 0.000 1.138 2020 T HN 0.553 nan 8.240 nan 0.000 0.529 2021 L N 1.772 122.901 121.223 -0.157 0.000 2.385 2021 L HA 0.876 5.216 4.340 0.000 0.000 0.273 2021 L C -1.314 175.442 176.870 -0.190 0.000 0.990 2021 L CA -0.938 53.787 54.840 -0.193 0.000 0.821 2021 L CB 1.813 43.805 42.059 -0.112 0.000 1.279 2021 L HN 0.223 nan 8.230 nan 0.000 0.412 2022 A N 5.857 128.516 122.820 -0.268 0.000 2.343 2022 A HA 0.681 5.001 4.320 0.000 0.000 0.316 2022 A C -0.865 176.694 177.584 -0.043 0.000 1.104 2022 A CA -0.533 51.419 52.037 -0.142 0.000 0.768 2022 A CB 0.943 19.851 19.000 -0.153 0.000 1.213 2022 A HN 0.684 nan 8.150 nan 0.000 0.456 2023 I N 2.670 123.244 120.570 0.007 0.000 2.352 2023 I HA 0.299 4.469 4.170 0.000 0.000 0.290 2023 I C -0.046 176.116 176.117 0.075 0.000 1.036 2023 I CA -0.341 60.982 61.300 0.038 0.000 1.336 2023 I CB 1.560 39.572 38.000 0.020 0.000 1.407 2023 I HN 0.455 nan 8.210 nan 0.000 0.497 2024 V N 6.074 126.049 119.914 0.102 0.000 2.250 2024 V HA 0.492 4.612 4.120 0.000 0.000 0.268 2024 V C -2.443 173.700 176.094 0.083 0.000 1.043 2024 V CA -1.936 60.436 62.300 0.120 0.000 0.814 2024 V CB 0.246 32.176 31.823 0.178 0.000 1.072 2024 V HN 0.460 nan 8.190 nan 0.000 0.451 2025 P HA 0.302 nan 4.420 nan 0.000 0.274 2025 P C 0.926 178.253 177.300 0.046 0.000 1.256 2025 P CA 0.281 63.406 63.100 0.040 0.000 0.795 2025 P CB 1.686 33.398 31.700 0.020 0.000 1.038 2026 G N -0.577 108.239 108.800 0.027 0.000 2.459 2026 G HA2 -0.044 3.916 3.960 0.000 0.000 0.213 2026 G HA3 -0.044 3.916 3.960 0.000 0.000 0.213 2026 G C 0.203 175.105 174.900 0.003 0.000 1.155 2026 G CA 0.378 45.490 45.100 0.020 0.000 0.811 2026 G HN 0.513 nan 8.290 nan 0.000 0.534 2027 D N 0.316 120.713 120.400 -0.005 0.000 2.280 2027 D HA 0.297 4.937 4.640 0.000 0.000 0.243 2027 D C -1.266 175.028 176.300 -0.010 0.000 1.129 2027 D CA -2.528 51.461 54.000 -0.019 0.000 0.848 2027 D CB 2.161 42.946 40.800 -0.026 0.000 1.107 2027 D HN -0.073 nan 8.370 nan 0.000 0.471 2028 P HA -0.131 nan 4.420 nan 0.000 0.216 2028 P C 0.497 177.801 177.300 0.006 0.000 1.150 2028 P CA 1.031 64.139 63.100 0.014 0.000 0.843 2028 P CB 0.327 32.028 31.700 0.001 0.000 0.787 2029 D N -0.831 119.560 120.400 -0.015 0.000 2.348 2029 D HA -0.110 4.530 4.640 0.000 0.000 0.216 2029 D C 1.905 178.170 176.300 -0.058 0.000 0.970 2029 D CA 0.650 54.633 54.000 -0.028 0.000 0.889 2029 D CB -0.179 40.604 40.800 -0.028 0.000 0.912 2029 D HN 0.354 nan 8.370 nan 0.000 0.524 2030 R N 0.503 120.969 120.500 -0.057 0.000 2.334 2030 R HA 0.081 4.421 4.340 0.000 0.000 0.216 2030 R C 1.532 177.762 176.300 -0.117 0.000 0.905 2030 R CA 0.181 56.233 56.100 -0.079 0.000 1.064 2030 R CB -0.041 30.229 30.300 -0.052 0.000 1.046 2030 R HN -0.154 nan 8.270 nan 0.000 0.508 2031 V N 1.706 121.550 119.914 -0.116 0.000 2.261 2031 V HA -0.273 3.847 4.120 0.000 0.000 0.246 2031 V C 2.393 178.218 176.094 -0.447 0.000 1.047 2031 V CA 2.363 64.567 62.300 -0.160 0.000 1.015 2031 V CB -0.607 31.206 31.823 -0.016 0.000 0.642 2031 V HN 0.586 nan 8.190 nan 0.000 0.446 2032 E N 0.309 120.088 120.200 -0.702 0.000 2.085 2032 E HA -0.324 4.026 4.350 0.000 0.000 0.194 2032 E C 2.164 178.352 176.600 -0.686 0.000 0.994 2032 E CA 1.862 57.529 56.400 -1.222 0.000 0.801 2032 E CB -0.139 29.012 29.700 -0.914 0.000 0.743 2032 E HN 0.502 nan 8.360 nan 0.000 0.453 2033 K N 0.238 120.409 120.400 -0.382 0.000 2.057 2033 K HA -0.092 4.228 4.320 0.000 0.000 0.207 2033 K C 2.039 178.522 176.600 -0.195 0.000 1.049 2033 K CA 1.631 57.777 56.287 -0.236 0.000 0.931 2033 K CB -0.123 32.286 32.500 -0.152 0.000 0.714 2033 K HN 0.234 nan 8.250 nan 0.000 0.440 2034 I N 0.102 120.561 120.570 -0.184 0.000 2.202 2034 I HA -0.256 3.914 4.170 0.000 0.000 0.242 2034 I C 2.284 178.326 176.117 -0.126 0.000 1.091 2034 I CA 1.111 62.339 61.300 -0.121 0.000 1.368 2034 I CB -0.381 37.569 38.000 -0.083 0.000 1.058 2034 I HN 0.155 nan 8.210 nan 0.000 0.410 2035 A N 0.932 123.638 122.820 -0.191 0.000 1.917 2035 A HA -0.244 4.076 4.320 0.000 0.000 0.219 2035 A C 2.481 180.005 177.584 -0.100 0.000 1.182 2035 A CA 2.030 53.994 52.037 -0.122 0.000 0.633 2035 A CB -0.925 17.987 19.000 -0.146 0.000 0.819 2035 A HN 0.458 nan 8.150 nan 0.000 0.448 2036 A N -0.686 122.024 122.820 -0.183 0.000 2.125 2036 A HA 0.057 4.377 4.320 0.000 0.000 0.219 2036 A C 1.919 179.469 177.584 -0.058 0.000 1.156 2036 A CA 1.251 53.220 52.037 -0.114 0.000 0.671 2036 A CB -0.529 18.381 19.000 -0.151 0.000 0.794 2036 A HN 0.505 nan 8.150 nan 0.000 0.459 2037 L N -1.490 119.699 121.223 -0.057 0.000 2.492 2037 L HA 0.097 4.437 4.340 0.000 0.000 0.223 2037 L C 1.178 178.038 176.870 -0.016 0.000 1.132 2037 L CA 0.048 54.868 54.840 -0.032 0.000 0.850 2037 L CB -0.297 41.742 42.059 -0.032 0.000 0.966 2037 L HN 0.431 nan 8.230 nan 0.000 0.454 2038 M N -1.565 118.030 119.600 -0.008 0.000 2.799 2038 M HA 0.285 4.765 4.480 0.000 0.000 0.274 2038 M C -0.576 175.736 176.300 0.020 0.000 1.137 2038 M CA -0.780 54.524 55.300 0.007 0.000 0.897 2038 M CB 0.953 33.561 32.600 0.013 0.000 1.567 2038 M HN -0.177 nan 8.290 nan 0.000 0.536 2039 D N 1.179 121.594 120.400 0.025 0.000 2.225 2039 D HA 0.186 4.826 4.640 0.000 0.000 0.249 2039 D C -0.474 175.855 176.300 0.047 0.000 1.052 2039 D CA -0.106 53.912 54.000 0.030 0.000 0.909 2039 D CB 0.814 41.626 40.800 0.021 0.000 1.186 2039 D HN 0.436 nan 8.370 nan 0.000 0.431 2040 K N -0.414 120.017 120.400 0.052 0.000 3.278 2040 K HA -0.130 4.190 4.320 0.000 0.000 0.270 2040 K C -2.311 174.349 176.600 0.100 0.000 0.955 2040 K CA 0.110 56.434 56.287 0.062 0.000 0.723 2040 K CB -1.554 30.970 32.500 0.040 0.000 1.382 2040 K HN 0.393 nan 8.250 nan 0.000 0.461 2041 P HA 0.146 nan 4.420 nan 0.000 0.271 2041 P C -0.253 177.244 177.300 0.327 0.000 1.220 2041 P CA -0.035 63.247 63.100 0.303 0.000 0.768 2041 P CB 1.167 33.057 31.700 0.317 0.000 0.848 2042 V N 3.916 123.971 119.914 0.235 0.000 2.668 2042 V HA 0.235 4.355 4.120 0.000 0.000 0.304 2042 V C 0.305 176.008 176.094 -0.652 0.000 1.071 2042 V CA -0.872 61.321 62.300 -0.178 0.000 0.894 2042 V CB 2.201 33.964 31.823 -0.100 0.000 1.008 2042 V HN 0.495 nan 8.190 nan 0.000 0.425 2043 K N 3.610 123.146 120.400 -1.440 0.000 2.368 2043 K HA 0.386 4.706 4.320 0.000 0.000 0.282 2043 K C 0.231 176.438 176.600 -0.656 0.000 1.035 2043 K CA -0.156 55.163 56.287 -1.613 0.000 0.973 2043 K CB 0.812 32.440 32.500 -1.453 0.000 0.957 2043 K HN 0.639 nan 8.250 nan 0.000 0.474 2044 L N 2.531 123.498 121.223 -0.427 0.000 2.349 2044 L HA 0.290 4.630 4.340 0.000 0.000 0.200 2044 L C 0.445 177.237 176.870 -0.130 0.000 1.064 2044 L CA 0.150 54.873 54.840 -0.195 0.000 0.821 2044 L CB 0.427 42.433 42.059 -0.089 0.000 1.027 2044 L HN 0.737 nan 8.230 nan 0.000 0.476 2045 A N -1.191 121.564 122.820 -0.108 0.000 2.597 2045 A HA 0.617 4.937 4.320 0.000 0.000 0.292 2045 A C -1.204 176.335 177.584 -0.074 0.000 1.057 2045 A CA -0.290 51.710 52.037 -0.062 0.000 0.674 2045 A CB 1.683 20.732 19.000 0.082 0.000 1.278 2045 A HN -0.154 nan 8.150 nan 0.000 0.416 2046 S N 0.726 116.276 115.700 -0.251 0.000 2.706 2046 S HA 0.647 5.117 4.470 0.000 0.000 0.270 2046 S C -1.740 172.566 174.600 -0.490 0.000 1.163 2046 S CA -0.468 57.611 58.200 -0.202 0.000 1.042 2046 S CB 0.330 63.450 63.200 -0.132 0.000 1.079 2046 S HN 0.752 nan 8.310 nan 0.000 0.474 2047 H N 3.194 122.332 119.070 0.113 0.000 2.865 2047 H HA 0.514 5.070 4.556 0.000 0.000 0.362 2047 H C 0.523 175.923 175.328 0.120 0.000 1.114 2047 H CA -0.496 55.617 56.048 0.108 0.000 1.208 2047 H CB 1.620 31.452 29.762 0.116 0.000 1.727 2047 H HN 0.759 nan 8.280 nan 0.000 0.534 2048 R N 0.460 121.047 120.500 0.145 0.000 3.750 2048 R HA -0.241 4.099 4.340 0.000 0.000 0.495 2048 R C 1.145 177.355 176.300 -0.150 0.000 0.241 2048 R CA 1.997 58.092 56.100 -0.008 0.000 1.551 2048 R CB -0.700 29.595 30.300 -0.008 0.000 0.956 2048 R HN 0.779 nan 8.270 nan 0.000 0.584 2049 E N 1.699 121.634 120.200 -0.441 0.000 2.476 2049 E HA -0.001 4.349 4.350 0.000 0.000 0.191 2049 E C -0.325 176.035 176.600 -0.399 0.000 1.064 2049 E CA 0.619 56.756 56.400 -0.439 0.000 0.866 2049 E CB 0.122 29.523 29.700 -0.499 0.000 0.952 2049 E HN 0.298 nan 8.360 nan 0.000 0.492 2050 F N 1.583 121.576 119.950 0.072 0.000 2.308 2050 F HA 0.318 4.845 4.527 0.000 0.000 0.370 2050 F C 0.193 176.046 175.800 0.088 0.000 1.100 2050 F CA -0.641 57.410 58.000 0.085 0.000 1.108 2050 F CB 1.555 40.619 39.000 0.108 0.000 1.293 2050 F HN -0.331 nan 8.300 nan 0.000 0.478 2051 T N 2.094 116.789 114.554 0.234 0.000 2.771 2051 T HA 0.487 4.837 4.350 0.000 0.000 0.281 2051 T C -0.086 174.766 174.700 0.253 0.000 0.982 2051 T CA -0.467 61.757 62.100 0.207 0.000 0.978 2051 T CB 1.016 69.993 68.868 0.182 0.000 0.930 2051 T HN 0.404 nan 8.240 nan 0.000 0.447 2052 T N 3.708 118.399 114.554 0.230 0.000 2.809 2052 T HA 0.466 4.816 4.350 0.000 0.000 0.284 2052 T C -1.018 173.822 174.700 0.234 0.000 0.992 2052 T CA -0.624 61.608 62.100 0.221 0.000 0.957 2052 T CB 0.622 69.570 68.868 0.133 0.000 0.942 2052 T HN 0.438 nan 8.240 nan 0.000 0.439 2053 W N 1.907 123.223 121.300 0.027 0.000 2.639 2053 W HA 0.670 5.330 4.660 -0.000 0.000 0.347 2053 W C 0.335 176.860 176.519 0.011 0.000 1.067 2053 W CA -1.146 56.208 57.345 0.015 0.000 1.218 2053 W CB 1.150 30.616 29.460 0.010 0.000 1.393 2053 W HN 0.376 nan 8.180 nan 0.000 0.557 2054 R N 1.520 122.140 120.500 0.200 0.000 2.637 2054 R HA 0.856 5.196 4.340 0.000 0.000 0.291 2054 R C -0.687 175.704 176.300 0.152 0.000 0.963 2054 R CA -0.361 55.814 56.100 0.125 0.000 0.901 2054 R CB 1.435 31.763 30.300 0.047 0.000 1.160 2054 R HN 0.653 nan 8.270 nan 0.000 0.457 2055 A N 2.607 125.493 122.820 0.110 0.000 2.525 2055 A HA 0.514 4.834 4.320 0.000 0.000 0.291 2055 A C -1.507 176.107 177.584 0.050 0.000 1.268 2055 A CA -0.681 51.411 52.037 0.092 0.000 0.712 2055 A CB 1.722 20.779 19.000 0.095 0.000 1.320 2055 A HN 0.718 nan 8.150 nan 0.000 0.456 2056 E N -0.690 119.533 120.200 0.039 0.000 2.248 2056 E HA 0.587 4.937 4.350 0.000 0.000 0.267 2056 E C -2.225 174.384 176.600 0.015 0.000 0.877 2056 E CA -0.591 55.822 56.400 0.022 0.000 0.759 2056 E CB 1.947 31.659 29.700 0.019 0.000 1.182 2056 E HN 0.436 nan 8.360 nan 0.000 0.418 2057 L N 4.291 125.518 121.223 0.006 0.000 2.446 2057 L HA 0.323 4.663 4.340 0.000 0.000 0.268 2057 L C -1.241 175.627 176.870 -0.002 0.000 0.975 2057 L CA -0.103 54.737 54.840 0.001 0.000 0.848 2057 L CB 1.397 43.453 42.059 -0.003 0.000 1.225 2057 L HN 0.628 nan 8.230 nan 0.000 0.410 2058 D N 4.426 124.825 120.400 -0.002 0.000 2.708 2058 D HA -0.198 4.442 4.640 0.000 0.000 0.236 2058 D C 1.159 177.458 176.300 -0.002 0.000 1.146 2058 D CA 1.592 55.590 54.000 -0.003 0.000 0.662 2058 D CB -0.954 39.842 40.800 -0.006 0.000 1.059 2058 D HN 1.206 nan 8.370 nan 0.000 0.428 2059 G N -0.987 107.813 108.800 0.000 0.000 2.162 2059 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 2059 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 2059 G C 0.223 175.123 174.900 -0.001 0.000 0.976 2059 G CA 0.721 45.821 45.100 0.001 0.000 0.655 2059 G HN 0.403 nan 8.290 nan 0.000 0.533 2060 K N 1.041 121.440 120.400 -0.002 0.000 2.221 2060 K HA 0.460 4.780 4.320 0.000 0.000 0.258 2060 K C -2.638 173.960 176.600 -0.003 0.000 0.944 2060 K CA -1.995 54.289 56.287 -0.005 0.000 0.823 2060 K CB 2.677 35.172 32.500 -0.010 0.000 1.113 2060 K HN 0.075 nan 8.250 nan 0.000 0.431 2061 P HA 0.124 nan 4.420 nan 0.000 0.271 2061 P C -0.520 176.776 177.300 -0.006 0.000 1.216 2061 P CA -0.263 62.837 63.100 0.000 0.000 0.771 2061 P CB 0.799 32.498 31.700 -0.002 0.000 0.864 2062 V N 4.737 124.654 119.914 0.004 0.000 2.841 2062 V HA 0.348 4.468 4.120 0.000 0.000 0.310 2062 V C 0.139 176.244 176.094 0.018 0.000 1.090 2062 V CA -0.786 61.512 62.300 -0.003 0.000 0.930 2062 V CB 2.456 34.278 31.823 -0.002 0.000 1.014 2062 V HN 0.405 nan 8.190 nan 0.000 0.425 2063 I N 4.028 124.601 120.570 0.005 0.000 2.437 2063 I HA 0.523 4.693 4.170 0.000 0.000 0.298 2063 I C -0.309 175.841 176.117 0.055 0.000 0.984 2063 I CA -0.498 60.824 61.300 0.037 0.000 1.214 2063 I CB 1.947 39.956 38.000 0.015 0.000 1.365 2063 I HN 0.265 nan 8.210 nan 0.000 0.469 2064 V N 5.248 125.226 119.914 0.106 0.000 2.444 2064 V HA 0.407 4.527 4.120 0.000 0.000 0.294 2064 V C -0.453 175.729 176.094 0.147 0.000 1.022 2064 V CA -0.502 61.860 62.300 0.104 0.000 0.850 2064 V CB 2.017 33.887 31.823 0.078 0.000 0.992 2064 V HN 0.893 nan 8.190 nan 0.000 0.426 2065 C N 5.071 124.453 119.300 0.136 0.000 2.551 2065 C HA 0.719 5.179 4.460 0.000 0.000 0.332 2065 C C 0.465 175.559 174.990 0.174 0.000 1.139 2065 C CA -0.370 58.751 59.018 0.170 0.000 1.328 2065 C CB 1.082 28.921 27.740 0.164 0.000 1.903 2065 C HN 1.041 nan 8.230 nan 0.000 0.459 2066 S N 3.286 119.100 115.700 0.190 0.000 2.584 2066 S HA 0.399 4.869 4.470 0.000 0.000 0.273 2066 S C 0.907 175.653 174.600 0.243 0.000 1.311 2066 S CA 0.346 58.641 58.200 0.159 0.000 1.034 2066 S CB 1.389 64.648 63.200 0.098 0.000 0.939 2066 S HN 1.016 nan 8.310 nan 0.000 0.513 2067 T N -0.780 113.876 114.554 0.170 0.000 3.037 2067 T HA 0.505 4.855 4.350 0.000 0.000 0.251 2067 T C 1.230 175.984 174.700 0.090 0.000 1.079 2067 T CA 0.230 62.456 62.100 0.211 0.000 1.067 2067 T CB -0.986 67.957 68.868 0.126 0.000 0.948 2067 T HN 1.884 nan 8.240 nan 0.000 0.496 2068 G N 1.566 110.352 108.800 -0.024 0.000 2.782 2068 G HA2 -0.140 3.820 3.960 0.000 0.000 0.228 2068 G HA3 -0.140 3.820 3.960 0.000 0.000 0.228 2068 G C -0.564 174.312 174.900 -0.039 0.000 1.372 2068 G CA -0.497 44.545 45.100 -0.098 0.000 0.862 2068 G HN 0.624 nan 8.290 nan 0.000 0.547 2069 I N 2.180 122.720 120.570 -0.050 0.000 2.371 2069 I HA 0.517 4.687 4.170 0.000 0.000 0.290 2069 I C 1.094 177.203 176.117 -0.014 0.000 1.028 2069 I CA 1.009 62.293 61.300 -0.026 0.000 1.345 2069 I CB 0.481 38.458 38.000 -0.038 0.000 1.407 2069 I HN 1.960 nan 8.210 nan 0.000 0.501 2070 G N 3.920 112.720 108.800 0.002 0.000 2.650 2070 G HA2 -0.072 3.888 3.960 0.000 0.000 0.686 2070 G HA3 -0.072 3.888 3.960 0.000 0.000 0.686 2070 G C 0.537 175.441 174.900 0.008 0.000 1.205 2070 G CA -0.510 44.593 45.100 0.004 0.000 0.781 2070 G HN 0.912 nan 8.290 nan 0.000 0.648 2071 G N 0.869 109.671 108.800 0.003 0.000 2.529 2071 G HA2 -0.070 3.890 3.960 0.000 0.000 0.219 2071 G HA3 -0.070 3.890 3.960 0.000 0.000 0.219 2071 G C 0.169 175.074 174.900 0.009 0.000 1.177 2071 G CA 2.342 47.443 45.100 0.001 0.000 0.773 2071 G HN 0.718 nan 8.290 nan 0.000 0.573 2072 P HA -0.133 nan 4.420 nan 0.000 0.213 2072 P C 2.498 179.829 177.300 0.050 0.000 1.170 2072 P CA 2.585 65.689 63.100 0.008 0.000 0.902 2072 P CB -0.297 31.401 31.700 -0.003 0.000 0.789 2073 S N -2.119 113.625 115.700 0.072 0.000 2.402 2073 S HA -0.117 4.353 4.470 0.000 0.000 0.229 2073 S C 1.955 176.695 174.600 0.233 0.000 1.021 2073 S CA 1.741 60.054 58.200 0.187 0.000 0.974 2073 S CB -1.949 61.300 63.200 0.082 0.000 0.800 2073 S HN 0.090 nan 8.310 nan 0.000 0.484 2074 T N 3.133 117.755 114.554 0.113 0.000 2.684 2074 T HA -0.138 4.212 4.350 0.000 0.000 0.267 2074 T C 2.352 177.053 174.700 0.000 0.000 1.036 2074 T CA 2.015 64.152 62.100 0.062 0.000 1.148 2074 T CB -0.797 68.075 68.868 0.007 0.000 0.863 2074 T HN 0.797 nan 8.240 nan 0.000 0.436 2075 S N 1.196 116.901 115.700 0.008 0.000 2.399 2075 S HA -0.063 4.407 4.470 0.000 0.000 0.231 2075 S C 2.076 176.676 174.600 0.000 0.000 1.022 2075 S CA 0.937 59.142 58.200 0.009 0.000 0.983 2075 S CB -0.775 62.522 63.200 0.162 0.000 0.803 2075 S HN 0.521 nan 8.310 nan 0.000 0.480 2076 I N 2.176 122.739 120.570 -0.011 0.000 2.163 2076 I HA -0.086 4.084 4.170 0.000 0.000 0.240 2076 I C 3.148 179.137 176.117 -0.213 0.000 1.081 2076 I CA 1.009 62.239 61.300 -0.117 0.000 1.353 2076 I CB -0.819 37.038 38.000 -0.239 0.000 1.054 2076 I HN 0.426 nan 8.210 nan 0.000 0.407 2077 A N 0.685 123.366 122.820 -0.232 0.000 1.873 2077 A HA -0.204 4.116 4.320 0.000 0.000 0.218 2077 A C 2.435 179.973 177.584 -0.077 0.000 1.193 2077 A CA 2.281 54.193 52.037 -0.208 0.000 0.629 2077 A CB -1.159 17.851 19.000 0.017 0.000 0.826 2077 A HN 0.245 nan 8.150 nan 0.000 0.447 2078 V N 0.127 119.965 119.914 -0.127 0.000 2.295 2078 V HA -0.255 3.865 4.120 0.000 0.000 0.246 2078 V C 2.642 178.654 176.094 -0.138 0.000 1.049 2078 V CA 2.520 64.645 62.300 -0.292 0.000 1.024 2078 V CB -0.825 30.626 31.823 -0.621 0.000 0.648 2078 V HN 0.776 nan 8.190 nan 0.000 0.447 2079 E N 0.915 121.057 120.200 -0.095 0.000 2.058 2079 E HA -0.249 4.101 4.350 0.000 0.000 0.194 2079 E C 2.082 178.704 176.600 0.036 0.000 0.997 2079 E CA 2.058 58.453 56.400 -0.008 0.000 0.801 2079 E CB -0.307 29.419 29.700 0.044 0.000 0.746 2079 E HN 0.692 nan 8.360 nan 0.000 0.450 2080 E N -0.140 120.070 120.200 0.016 0.000 2.107 2080 E HA -0.088 4.262 4.350 0.000 0.000 0.191 2080 E C 2.312 178.946 176.600 0.056 0.000 0.982 2080 E CA 0.880 57.298 56.400 0.029 0.000 0.809 2080 E CB -0.124 29.572 29.700 -0.007 0.000 0.756 2080 E HN 0.299 nan 8.360 nan 0.000 0.459 2081 L N 0.799 122.078 121.223 0.094 0.000 2.046 2081 L HA -0.187 4.153 4.340 0.000 0.000 0.208 2081 L C 2.623 179.598 176.870 0.174 0.000 1.077 2081 L CA 1.035 55.966 54.840 0.152 0.000 0.747 2081 L CB -0.490 41.739 42.059 0.283 0.000 0.896 2081 L HN 0.140 nan 8.230 nan 0.000 0.432 2082 A N -0.528 122.444 122.820 0.252 0.000 1.908 2082 A HA -0.268 4.052 4.320 0.000 0.000 0.218 2082 A C 2.221 179.868 177.584 0.105 0.000 1.181 2082 A CA 1.634 53.798 52.037 0.213 0.000 0.627 2082 A CB -0.517 18.599 19.000 0.194 0.000 0.818 2082 A HN 0.473 nan 8.150 nan 0.000 0.445 2083 Q N -1.170 118.679 119.800 0.082 0.000 2.135 2083 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 2083 Q C 1.507 177.534 176.000 0.044 0.000 0.981 2083 Q CA 1.075 56.912 55.803 0.056 0.000 0.856 2083 Q CB -0.208 28.561 28.738 0.052 0.000 0.902 2083 Q HN 0.473 nan 8.270 nan 0.000 0.425 2084 L N -1.446 119.803 121.223 0.044 0.000 2.552 2084 L HA 0.071 4.411 4.340 0.000 0.000 0.227 2084 L C 1.413 178.293 176.870 0.016 0.000 1.146 2084 L CA 1.660 56.517 54.840 0.027 0.000 0.858 2084 L CB -0.168 41.906 42.059 0.025 0.000 0.969 2084 L HN 0.407 nan 8.230 nan 0.000 0.451 2085 G N -1.561 107.251 108.800 0.021 0.000 2.205 2085 G HA2 -0.170 3.790 3.960 0.000 0.000 0.180 2085 G HA3 -0.170 3.790 3.960 0.000 0.000 0.180 2085 G C 0.307 175.189 174.900 -0.030 0.000 1.004 2085 G CA -0.477 44.625 45.100 0.002 0.000 0.670 2085 G HN 0.061 nan 8.290 nan 0.000 0.496 2086 I N 1.239 121.777 120.570 -0.053 0.000 2.618 2086 I HA 0.306 4.476 4.170 0.000 0.000 0.284 2086 I C 1.312 177.323 176.117 -0.176 0.000 1.146 2086 I CA 0.270 61.446 61.300 -0.207 0.000 1.425 2086 I CB 0.948 38.705 38.000 -0.404 0.000 1.383 2086 I HN 0.104 nan 8.210 nan 0.000 0.562 2087 R N 2.993 123.365 120.500 -0.213 0.000 2.469 2087 R HA 0.199 4.539 4.340 0.000 0.000 0.250 2087 R C -0.246 176.008 176.300 -0.077 0.000 0.909 2087 R CA 0.186 56.249 56.100 -0.061 0.000 1.050 2087 R CB 0.644 30.932 30.300 -0.021 0.000 1.256 2087 R HN 0.534 nan 8.270 nan 0.000 0.550 2088 T N 1.165 115.546 114.554 -0.289 0.000 2.879 2088 T HA 0.566 4.916 4.350 0.000 0.000 0.290 2088 T C -1.059 173.406 174.700 -0.393 0.000 0.993 2088 T CA -0.297 61.698 62.100 -0.175 0.000 0.975 2088 T CB 1.256 70.061 68.868 -0.105 0.000 0.981 2088 T HN -0.148 nan 8.240 nan 0.000 0.439 2089 F N 2.731 122.678 119.950 -0.006 0.000 2.477 2089 F HA 0.571 5.098 4.527 0.000 0.000 0.335 2089 F C -0.260 175.537 175.800 -0.006 0.000 1.130 2089 F CA -1.029 56.967 58.000 -0.006 0.000 0.948 2089 F CB 1.374 40.366 39.000 -0.014 0.000 1.154 2089 F HN 0.205 nan 8.300 nan 0.000 0.439 2090 L N 4.389 125.695 121.223 0.137 0.000 2.316 2090 L HA 0.511 4.851 4.340 0.000 0.000 0.280 2090 L C -0.058 176.863 176.870 0.085 0.000 1.006 2090 L CA -0.652 54.237 54.840 0.082 0.000 0.836 2090 L CB 1.700 43.778 42.059 0.032 0.000 1.221 2090 L HN 0.593 nan 8.230 nan 0.000 0.418 2091 R N 4.120 124.664 120.500 0.074 0.000 2.308 2091 R HA 0.458 4.798 4.340 0.000 0.000 0.305 2091 R C -0.961 175.361 176.300 0.037 0.000 1.053 2091 R CA -0.430 55.704 56.100 0.058 0.000 0.957 2091 R CB 1.173 31.500 30.300 0.045 0.000 1.022 2091 R HN 0.484 nan 8.270 nan 0.000 0.461 2092 I N 4.447 125.037 120.570 0.033 0.000 2.410 2092 I HA 0.491 4.661 4.170 0.000 0.000 0.286 2092 I C -0.645 175.485 176.117 0.021 0.000 1.009 2092 I CA -0.041 61.272 61.300 0.023 0.000 1.111 2092 I CB 1.243 39.253 38.000 0.016 0.000 1.262 2092 I HN 0.864 nan 8.210 nan 0.000 0.443 2093 G N 4.741 113.553 108.800 0.020 0.000 3.015 2093 G HA2 0.671 4.631 3.960 0.000 0.000 0.281 2093 G HA3 0.671 4.631 3.960 0.000 0.000 0.281 2093 G C -0.769 174.144 174.900 0.022 0.000 1.386 2093 G CA -0.392 44.721 45.100 0.021 0.000 0.959 2093 G HN 0.573 nan 8.290 nan 0.000 0.522 2094 T N -2.833 111.737 114.554 0.025 0.000 2.943 2094 T HA 0.732 5.082 4.350 0.000 0.000 0.284 2094 T C -0.222 174.502 174.700 0.039 0.000 1.015 2094 T CA -0.517 61.601 62.100 0.031 0.000 1.042 2094 T CB 1.976 70.864 68.868 0.032 0.000 1.055 2094 T HN 0.886 nan 8.240 nan 0.000 0.500 2095 T N -0.468 114.108 114.554 0.037 0.000 2.840 2095 T HA 0.635 4.985 4.350 0.000 0.000 0.317 2095 T C -0.589 174.126 174.700 0.026 0.000 1.401 2095 T CA -0.406 61.714 62.100 0.033 0.000 1.028 2095 T CB 1.289 70.168 68.868 0.019 0.000 1.317 2095 T HN 1.164 nan 8.240 nan 0.000 0.495 2096 G N 1.517 110.331 108.800 0.024 0.000 2.335 2096 G HA2 0.650 4.610 3.960 0.000 0.000 0.314 2096 G HA3 0.650 4.610 3.960 0.000 0.000 0.314 2096 G C 0.005 174.904 174.900 -0.002 0.000 1.129 2096 G CA -0.184 44.925 45.100 0.015 0.000 0.912 2096 G HN 0.986 nan 8.290 nan 0.000 0.443 2097 A N 2.115 124.917 122.820 -0.031 0.000 2.371 2097 A HA 0.546 4.866 4.320 0.000 0.000 0.257 2097 A C 1.070 178.610 177.584 -0.074 0.000 1.089 2097 A CA -0.415 51.574 52.037 -0.081 0.000 0.794 2097 A CB 0.279 19.213 19.000 -0.110 0.000 1.029 2097 A HN 1.284 nan 8.150 nan 0.000 0.488 2098 I N -2.115 118.386 120.570 -0.115 0.000 4.154 2098 I HA 0.250 4.420 4.170 0.000 0.000 0.334 2098 I C -0.144 175.926 176.117 -0.079 0.000 1.371 2098 I CA -0.296 60.956 61.300 -0.079 0.000 1.110 2098 I CB 0.233 38.165 38.000 -0.113 0.000 1.085 2098 I HN 0.326 nan 8.210 nan 0.000 0.398 2099 Q N 2.759 122.472 119.800 -0.145 0.000 2.256 2099 Q HA 0.384 4.724 4.340 0.000 0.000 0.257 2099 Q C -1.829 174.073 176.000 -0.164 0.000 0.936 2099 Q CA -2.122 53.593 55.803 -0.147 0.000 0.903 2099 Q CB 1.827 30.400 28.738 -0.276 0.000 1.263 2099 Q HN 0.039 nan 8.270 nan 0.000 0.440 2100 P HA -0.141 nan 4.420 nan 0.000 0.226 2100 P C 0.698 178.001 177.300 0.005 0.000 1.153 2100 P CA 1.372 64.473 63.100 0.001 0.000 0.777 2100 P CB 0.155 31.885 31.700 0.050 0.000 0.794 2101 H N -1.556 117.481 119.070 -0.055 0.000 2.539 2101 H HA 0.252 4.808 4.556 0.000 0.000 0.269 2101 H C 0.534 175.813 175.328 -0.081 0.000 0.980 2101 H CA -0.347 55.673 56.048 -0.046 0.000 1.152 2101 H CB -0.455 29.287 29.762 -0.034 0.000 1.407 2101 H HN 0.121 nan 8.280 nan 0.000 0.564 2102 I N 3.194 123.451 120.570 -0.520 0.000 2.325 2102 I HA 0.080 4.250 4.170 0.000 0.000 0.291 2102 I C -0.278 175.760 176.117 -0.133 0.000 1.019 2102 I CA -0.493 60.557 61.300 -0.417 0.000 1.302 2102 I CB 0.847 38.500 38.000 -0.578 0.000 1.401 2102 I HN 0.074 nan 8.210 nan 0.000 0.485 2103 N N 5.158 123.854 118.700 -0.007 0.000 2.492 2103 N HA 0.290 5.030 4.740 0.000 0.000 0.289 2103 N C -0.451 175.073 175.510 0.023 0.000 1.133 2103 N CA -0.615 52.446 53.050 0.017 0.000 0.961 2103 N CB 1.997 40.512 38.487 0.047 0.000 1.186 2103 N HN 0.177 nan 8.380 nan 0.000 0.493 2104 V N 1.060 120.983 119.914 0.015 0.000 2.584 2104 V HA 0.173 4.293 4.120 0.000 0.000 0.303 2104 V C 1.496 177.605 176.094 0.024 0.000 1.035 2104 V CA 1.690 63.999 62.300 0.016 0.000 1.172 2104 V CB 0.019 31.849 31.823 0.011 0.000 0.896 2104 V HN 1.066 nan 8.190 nan 0.000 0.486 2105 G N 3.894 112.711 108.800 0.029 0.000 2.213 2105 G HA2 -0.172 3.788 3.960 0.000 0.000 0.226 2105 G HA3 -0.172 3.788 3.960 0.000 0.000 0.226 2105 G C -0.039 174.908 174.900 0.078 0.000 0.992 2105 G CA -0.013 45.107 45.100 0.033 0.000 0.632 2105 G HN 0.661 nan 8.290 nan 0.000 0.511 2106 D N 0.114 120.564 120.400 0.084 0.000 2.368 2106 D HA 0.491 5.131 4.640 0.000 0.000 0.240 2106 D C 0.480 176.838 176.300 0.096 0.000 1.169 2106 D CA 0.124 54.190 54.000 0.111 0.000 0.906 2106 D CB 1.646 42.553 40.800 0.179 0.000 1.187 2106 D HN 0.203 nan 8.370 nan 0.000 0.435 2107 V N 2.084 122.046 119.914 0.079 0.000 2.417 2107 V HA 0.340 4.460 4.120 0.000 0.000 0.291 2107 V C -0.051 176.077 176.094 0.058 0.000 1.024 2107 V CA -0.698 61.634 62.300 0.053 0.000 0.861 2107 V CB 1.213 33.046 31.823 0.017 0.000 0.985 2107 V HN 0.267 nan 8.190 nan 0.000 0.436 2108 L N 5.480 126.735 121.223 0.053 0.000 2.313 2108 L HA 0.645 4.985 4.340 0.000 0.000 0.283 2108 L C -0.681 176.205 176.870 0.028 0.000 1.013 2108 L CA -0.793 54.080 54.840 0.056 0.000 0.816 2108 L CB 1.989 44.074 42.059 0.042 0.000 1.236 2108 L HN 0.327 nan 8.230 nan 0.000 0.419 2109 V N 1.818 121.747 119.914 0.025 0.000 2.398 2109 V HA 0.299 4.419 4.120 0.000 0.000 0.286 2109 V C 0.291 176.392 176.094 0.012 0.000 1.026 2109 V CA -0.417 61.888 62.300 0.009 0.000 0.868 2109 V CB 1.780 33.601 31.823 -0.004 0.000 0.982 2109 V HN 0.728 nan 8.190 nan 0.000 0.443 2110 T N 3.563 118.121 114.554 0.006 0.000 2.749 2110 T HA 0.200 4.550 4.350 0.000 0.000 0.295 2110 T C 1.326 176.032 174.700 0.009 0.000 0.936 2110 T CA 0.224 62.326 62.100 0.002 0.000 1.060 2110 T CB 1.182 70.047 68.868 -0.004 0.000 0.904 2110 T HN 0.976 nan 8.240 nan 0.000 0.500 2111 T N 0.845 115.407 114.554 0.013 0.000 2.937 2111 T HA 0.483 4.833 4.350 0.000 0.000 0.260 2111 T C 0.738 175.450 174.700 0.021 0.000 1.051 2111 T CA 0.261 62.377 62.100 0.026 0.000 1.141 2111 T CB 0.185 69.075 68.868 0.037 0.000 0.879 2111 T HN 0.733 nan 8.240 nan 0.000 0.459 2112 A N -0.000 122.823 122.820 0.004 0.000 2.601 2112 A HA 0.698 5.018 4.320 0.000 0.000 0.291 2112 A C -1.072 176.497 177.584 -0.025 0.000 1.075 2112 A CA -0.834 51.202 52.037 -0.003 0.000 0.671 2112 A CB 1.348 20.345 19.000 -0.005 0.000 1.277 2112 A HN 0.198 nan 8.150 nan 0.000 0.417 2113 S N -0.299 115.384 115.700 -0.028 0.000 2.513 2113 S HA 0.576 5.046 4.470 0.000 0.000 0.299 2113 S C -0.405 174.143 174.600 -0.087 0.000 1.087 2113 S CA -0.528 57.635 58.200 -0.062 0.000 1.012 2113 S CB 1.670 64.845 63.200 -0.042 0.000 1.044 2113 S HN 0.875 nan 8.310 nan 0.000 0.485 2114 V N 3.490 123.297 119.914 -0.178 0.000 2.479 2114 V HA 0.149 4.269 4.120 0.000 0.000 0.281 2114 V C 0.590 176.597 176.094 -0.145 0.000 1.031 2114 V CA 0.079 62.232 62.300 -0.246 0.000 1.038 2114 V CB -0.212 31.242 31.823 -0.616 0.000 0.981 2114 V HN 0.693 nan 8.190 nan 0.000 0.478 2115 R N 5.548 126.019 120.500 -0.047 0.000 2.608 2115 R HA 0.325 4.665 4.340 0.000 0.000 0.277 2115 R C 0.025 176.369 176.300 0.072 0.000 1.341 2115 R CA -0.138 55.977 56.100 0.025 0.000 1.199 2115 R CB 0.081 30.421 30.300 0.066 0.000 1.156 2115 R HN 0.670 nan 8.270 nan 0.000 0.558 2116 L N 2.393 123.664 121.223 0.081 0.000 2.912 2116 L HA 0.148 4.488 4.340 0.000 0.000 0.240 2116 L C 0.207 177.173 176.870 0.159 0.000 1.262 2116 L CA -0.236 54.722 54.840 0.196 0.000 1.058 2116 L CB -0.657 41.555 42.059 0.255 0.000 1.383 2116 L HN 0.535 nan 8.230 nan 0.000 0.512 2117 D N -1.338 119.126 120.400 0.107 0.000 2.467 2117 D HA 0.300 4.940 4.640 0.000 0.000 0.245 2117 D C 0.720 177.065 176.300 0.075 0.000 1.038 2117 D CA -0.370 53.674 54.000 0.074 0.000 1.038 2117 D CB 2.034 42.861 40.800 0.044 0.000 1.278 2117 D HN -0.065 nan 8.370 nan 0.000 0.564 2118 G N -0.873 107.950 108.800 0.038 0.000 2.651 2118 G HA2 0.191 4.151 3.960 0.000 0.000 0.207 2118 G HA3 0.191 4.151 3.960 0.000 0.000 0.207 2118 G C 1.343 176.211 174.900 -0.052 0.000 1.131 2118 G CA 0.638 45.753 45.100 0.026 0.000 0.816 2118 G HN 0.613 nan 8.290 nan 0.000 0.534 2119 A N 1.769 124.521 122.820 -0.115 0.000 1.933 2119 A HA -0.045 4.275 4.320 0.000 0.000 0.218 2119 A C 2.709 180.338 177.584 0.076 0.000 1.175 2119 A CA 2.545 54.469 52.037 -0.188 0.000 0.628 2119 A CB -0.784 18.180 19.000 -0.060 0.000 0.814 2119 A HN 0.760 nan 8.150 nan 0.000 0.444 2120 S N 0.405 116.185 115.700 0.133 0.000 2.370 2120 S HA -0.173 4.297 4.470 0.000 0.000 0.226 2120 S C 1.784 176.522 174.600 0.229 0.000 1.033 2120 S CA 1.603 59.931 58.200 0.213 0.000 1.011 2120 S CB -0.912 62.365 63.200 0.128 0.000 0.852 2120 S HN 0.460 nan 8.310 nan 0.000 0.457 2121 L N 0.843 122.176 121.223 0.184 0.000 2.349 2121 L HA -0.089 4.251 4.340 0.000 0.000 0.220 2121 L C 2.404 179.372 176.870 0.164 0.000 1.130 2121 L CA 1.368 56.312 54.840 0.174 0.000 0.791 2121 L CB -0.811 41.352 42.059 0.173 0.000 0.918 2121 L HN 0.534 nan 8.230 nan 0.000 0.444 2122 H N -2.047 116.959 119.070 -0.106 0.000 2.548 2122 H HA 0.028 4.584 4.556 0.000 0.000 0.265 2122 H C 1.370 176.328 175.328 -0.616 0.000 0.969 2122 H CA 0.421 56.258 56.048 -0.353 0.000 1.155 2122 H CB 0.413 29.899 29.762 -0.460 0.000 1.394 2122 H HN 0.338 nan 8.280 nan 0.000 0.570 2123 F N -0.059 119.912 119.950 0.035 0.000 2.592 2123 F HA 0.415 4.942 4.527 0.000 0.000 0.280 2123 F C 0.928 176.639 175.800 -0.149 0.000 1.083 2123 F CA 0.026 57.986 58.000 -0.066 0.000 1.365 2123 F CB 0.908 39.852 39.000 -0.093 0.000 1.100 2123 F HN -0.048 nan 8.300 nan 0.000 0.633 2124 A N 0.354 123.188 122.820 0.023 0.000 2.574 2124 A HA 0.632 4.952 4.320 0.000 0.000 0.297 2124 A C -2.745 174.851 177.584 0.020 0.000 1.062 2124 A CA -1.470 50.504 52.037 -0.105 0.000 0.686 2124 A CB 0.704 19.417 19.000 -0.479 0.000 1.285 2124 A HN -0.175 nan 8.150 nan 0.000 0.403 2125 P HA 0.112 nan 4.420 nan 0.000 0.271 2125 P C 0.788 178.168 177.300 0.132 0.000 1.244 2125 P CA -0.314 62.834 63.100 0.081 0.000 0.793 2125 P CB 0.655 32.399 31.700 0.073 0.000 0.984 2126 L N 1.101 122.391 121.223 0.113 0.000 2.131 2126 L HA -0.161 4.179 4.340 0.000 0.000 0.210 2126 L C 2.218 179.169 176.870 0.135 0.000 1.092 2126 L CA 1.783 56.696 54.840 0.121 0.000 0.759 2126 L CB -1.437 40.679 42.059 0.095 0.000 0.903 2126 L HN 0.430 nan 8.230 nan 0.000 0.435 2127 E N -1.005 119.272 120.200 0.129 0.000 2.409 2127 E HA -0.246 4.104 4.350 0.000 0.000 0.198 2127 E C 0.717 177.393 176.600 0.127 0.000 1.024 2127 E CA 0.133 56.597 56.400 0.108 0.000 0.861 2127 E CB -0.750 29.002 29.700 0.086 0.000 0.788 2127 E HN 0.443 nan 8.360 nan 0.000 0.521 2128 F N 3.875 123.848 119.950 0.038 0.000 2.427 2128 F HA 0.258 4.785 4.527 0.000 0.000 0.352 2128 F C -2.105 173.715 175.800 0.033 0.000 1.100 2128 F CA -2.744 55.277 58.000 0.036 0.000 1.191 2128 F CB 0.850 39.877 39.000 0.045 0.000 1.128 2128 F HN -0.189 nan 8.300 nan 0.000 0.533 2129 P HA 0.146 nan 4.420 nan 0.000 0.281 2129 P C -1.157 176.188 177.300 0.074 0.000 1.252 2129 P CA -0.386 62.647 63.100 -0.111 0.000 0.778 2129 P CB 1.269 32.832 31.700 -0.228 0.000 0.895 2130 A N 3.911 126.794 122.820 0.105 0.000 3.048 2130 A HA 0.236 4.556 4.320 0.000 0.000 0.264 2130 A C 0.280 177.899 177.584 0.059 0.000 1.796 2130 A CA -0.296 51.809 52.037 0.113 0.000 1.445 2130 A CB -1.002 18.039 19.000 0.068 0.000 1.074 2130 A HN 0.463 nan 8.150 nan 0.000 0.621 2131 V N 1.917 121.868 119.914 0.062 0.000 2.439 2131 V HA 0.649 4.769 4.120 0.000 0.000 0.282 2131 V C 0.698 176.827 176.094 0.058 0.000 1.039 2131 V CA -0.220 62.101 62.300 0.035 0.000 0.913 2131 V CB 1.187 33.007 31.823 -0.005 0.000 0.983 2131 V HN 0.896 nan 8.190 nan 0.000 0.460 2132 A N 4.438 127.288 122.820 0.050 0.000 2.386 2132 A HA 0.319 4.639 4.320 0.000 0.000 0.248 2132 A C 0.151 177.784 177.584 0.081 0.000 1.082 2132 A CA -0.075 51.995 52.037 0.056 0.000 0.789 2132 A CB 0.055 19.079 19.000 0.040 0.000 1.025 2132 A HN 1.043 nan 8.150 nan 0.000 0.490 2133 D N 0.222 120.670 120.400 0.081 0.000 2.424 2133 D HA 0.130 4.770 4.640 0.000 0.000 0.244 2133 D C 0.669 177.038 176.300 0.115 0.000 1.134 2133 D CA -0.045 54.018 54.000 0.104 0.000 0.881 2133 D CB 0.163 41.014 40.800 0.085 0.000 1.191 2133 D HN 0.414 nan 8.370 nan 0.000 0.445 2134 F N 2.914 122.873 119.950 0.015 0.000 2.171 2134 F HA -0.089 4.438 4.527 0.000 0.000 0.300 2134 F C 1.780 177.586 175.800 0.009 0.000 1.090 2134 F CA 1.302 59.307 58.000 0.009 0.000 1.293 2134 F CB 0.168 39.171 39.000 0.006 0.000 1.013 2134 F HN 0.530 nan 8.300 nan 0.000 0.486 2135 E N -0.480 119.685 120.200 -0.058 0.000 2.072 2135 E HA -0.212 4.138 4.350 0.000 0.000 0.191 2135 E C 2.346 178.850 176.600 -0.159 0.000 0.985 2135 E CA 1.497 57.807 56.400 -0.149 0.000 0.801 2135 E CB -0.465 29.229 29.700 -0.010 0.000 0.750 2135 E HN 0.440 nan 8.360 nan 0.000 0.452 2136 C N 0.517 119.770 119.300 -0.078 0.000 2.432 2136 C HA -0.123 4.337 4.460 0.000 0.000 0.277 2136 C C 2.880 177.813 174.990 -0.094 0.000 1.249 2136 C CA 1.214 60.196 59.018 -0.060 0.000 1.725 2136 C CB -0.987 26.750 27.740 -0.007 0.000 2.028 2136 C HN 0.512 nan 8.230 nan 0.000 0.477 2137 T N 0.553 115.039 114.554 -0.113 0.000 2.720 2137 T HA -0.172 4.178 4.350 0.000 0.000 0.268 2137 T C 1.784 176.364 174.700 -0.199 0.000 1.037 2137 T CA 2.189 64.216 62.100 -0.122 0.000 1.144 2137 T CB -0.546 68.273 68.868 -0.081 0.000 0.864 2137 T HN 0.606 nan 8.240 nan 0.000 0.444 2138 T N 2.010 116.344 114.554 -0.366 0.000 2.684 2138 T HA -0.070 4.280 4.350 0.000 0.000 0.267 2138 T C 2.405 176.986 174.700 -0.198 0.000 1.036 2138 T CA 1.258 63.142 62.100 -0.360 0.000 1.148 2138 T CB -0.623 67.914 68.868 -0.553 0.000 0.863 2138 T HN 0.447 nan 8.240 nan 0.000 0.436 2139 A N 1.209 123.930 122.820 -0.165 0.000 1.883 2139 A HA -0.044 4.276 4.320 0.000 0.000 0.217 2139 A C 2.330 179.864 177.584 -0.083 0.000 1.186 2139 A CA 1.391 53.366 52.037 -0.104 0.000 0.624 2139 A CB -0.947 18.005 19.000 -0.081 0.000 0.822 2139 A HN 0.476 nan 8.150 nan 0.000 0.444 2140 L N -0.665 120.511 121.223 -0.079 0.000 2.017 2140 L HA -0.181 4.159 4.340 0.000 0.000 0.208 2140 L C 2.569 179.401 176.870 -0.063 0.000 1.073 2140 L CA 1.261 56.065 54.840 -0.060 0.000 0.745 2140 L CB -0.628 41.404 42.059 -0.046 0.000 0.894 2140 L HN 0.257 nan 8.230 nan 0.000 0.432 2141 V N -0.286 119.583 119.914 -0.075 0.000 2.295 2141 V HA -0.305 3.815 4.120 0.000 0.000 0.246 2141 V C 2.415 178.468 176.094 -0.069 0.000 1.049 2141 V CA 1.985 64.244 62.300 -0.068 0.000 1.024 2141 V CB -0.414 31.367 31.823 -0.070 0.000 0.648 2141 V HN 0.413 nan 8.190 nan 0.000 0.447 2142 E N -0.258 119.897 120.200 -0.075 0.000 2.110 2142 E HA -0.162 4.188 4.350 0.000 0.000 0.193 2142 E C 2.266 178.829 176.600 -0.061 0.000 0.988 2142 E CA 1.264 57.625 56.400 -0.065 0.000 0.804 2142 E CB -0.349 29.310 29.700 -0.068 0.000 0.745 2142 E HN 0.586 nan 8.360 nan 0.000 0.458 2143 A N 1.097 123.880 122.820 -0.062 0.000 1.865 2143 A HA -0.195 4.125 4.320 0.000 0.000 0.217 2143 A C 2.414 179.956 177.584 -0.070 0.000 1.191 2143 A CA 1.990 53.991 52.037 -0.059 0.000 0.623 2143 A CB -1.061 17.907 19.000 -0.053 0.000 0.826 2143 A HN 0.355 nan 8.150 nan 0.000 0.444 2144 A N -0.638 122.137 122.820 -0.075 0.000 1.948 2144 A HA -0.227 4.093 4.320 0.000 0.000 0.220 2144 A C 2.075 179.599 177.584 -0.099 0.000 1.177 2144 A CA 2.477 54.457 52.037 -0.095 0.000 0.636 2144 A CB -0.456 18.494 19.000 -0.085 0.000 0.815 2144 A HN 0.444 nan 8.150 nan 0.000 0.449 2145 K N 0.321 120.674 120.400 -0.078 0.000 2.103 2145 K HA -0.118 4.202 4.320 0.000 0.000 0.207 2145 K C 2.350 178.910 176.600 -0.068 0.000 1.048 2145 K CA 1.721 57.966 56.287 -0.070 0.000 0.930 2145 K CB -0.279 32.188 32.500 -0.055 0.000 0.716 2145 K HN 0.646 nan 8.250 nan 0.000 0.444 2146 S N -0.140 115.521 115.700 -0.065 0.000 2.470 2146 S HA -0.056 4.414 4.470 0.000 0.000 0.225 2146 S C 1.699 176.260 174.600 -0.065 0.000 1.006 2146 S CA 0.651 58.817 58.200 -0.056 0.000 0.934 2146 S CB -0.372 62.800 63.200 -0.047 0.000 0.778 2146 S HN 0.402 nan 8.310 nan 0.000 0.517 2147 I N -1.770 118.745 120.570 -0.091 0.000 3.883 2147 I HA 0.583 4.753 4.170 0.000 0.000 0.326 2147 I C 1.318 177.345 176.117 -0.150 0.000 1.283 2147 I CA 0.361 61.593 61.300 -0.113 0.000 1.161 2147 I CB -0.192 37.727 38.000 -0.133 0.000 1.012 2147 I HN 0.276 nan 8.210 nan 0.000 0.421 2148 G N 1.340 110.063 108.800 -0.129 0.000 2.160 2148 G HA2 -0.228 3.732 3.960 0.000 0.000 0.251 2148 G HA3 -0.228 3.732 3.960 0.000 0.000 0.251 2148 G C 0.452 175.264 174.900 -0.147 0.000 1.008 2148 G CA 0.094 45.127 45.100 -0.110 0.000 0.724 2148 G HN 1.017 nan 8.290 nan 0.000 0.514 2149 A N 0.191 122.868 122.820 -0.240 0.000 2.425 2149 A HA 0.687 5.007 4.320 0.000 0.000 0.249 2149 A C 1.031 178.540 177.584 -0.124 0.000 1.084 2149 A CA 1.050 52.933 52.037 -0.256 0.000 0.781 2149 A CB 0.371 19.145 19.000 -0.378 0.000 1.019 2149 A HN 1.859 nan 8.150 nan 0.000 0.490 2150 T N 1.055 115.572 114.554 -0.062 0.000 2.814 2150 T HA 0.487 4.837 4.350 0.000 0.000 0.297 2150 T C 0.017 174.617 174.700 -0.166 0.000 0.956 2150 T CA 0.170 62.209 62.100 -0.100 0.000 1.123 2150 T CB -0.147 68.691 68.868 -0.051 0.000 0.902 2150 T HN 0.572 nan 8.240 nan 0.000 0.528 2151 T N 5.099 119.482 114.554 -0.283 0.000 2.886 2151 T HA 0.438 4.788 4.350 0.000 0.000 0.292 2151 T C -0.953 173.486 174.700 -0.434 0.000 1.012 2151 T CA -0.752 61.197 62.100 -0.252 0.000 0.982 2151 T CB 0.931 69.717 68.868 -0.137 0.000 1.018 2151 T HN 0.736 nan 8.240 nan 0.000 0.451 2152 H N 0.873 119.948 119.070 0.009 0.000 2.524 2152 H HA 0.658 5.214 4.556 0.000 0.000 0.353 2152 H C -0.941 174.392 175.328 0.008 0.000 1.136 2152 H CA -0.650 55.410 56.048 0.020 0.000 1.193 2152 H CB 1.987 31.763 29.762 0.023 0.000 1.558 2152 H HN 0.254 nan 8.280 nan 0.000 0.515 2153 V N 1.663 121.652 119.914 0.125 0.000 2.487 2153 V HA 0.682 4.802 4.120 0.000 0.000 0.298 2153 V C 0.444 176.577 176.094 0.067 0.000 1.028 2153 V CA -0.165 62.175 62.300 0.066 0.000 0.860 2153 V CB 1.437 33.283 31.823 0.038 0.000 0.991 2153 V HN 1.132 nan 8.190 nan 0.000 0.427 2154 G N 3.224 112.050 108.800 0.043 0.000 2.404 2154 G HA2 0.349 4.309 3.960 0.000 0.000 0.253 2154 G HA3 0.349 4.309 3.960 0.000 0.000 0.253 2154 G C -1.448 173.455 174.900 0.005 0.000 1.253 2154 G CA -0.381 44.737 45.100 0.030 0.000 0.917 2154 G HN 0.528 nan 8.290 nan 0.000 0.480 2155 V N 0.822 120.729 119.914 -0.011 0.000 2.607 2155 V HA 0.637 4.757 4.120 0.000 0.000 0.289 2155 V C 0.313 176.358 176.094 -0.081 0.000 1.053 2155 V CA -0.000 62.275 62.300 -0.042 0.000 0.996 2155 V CB 1.351 33.149 31.823 -0.042 0.000 0.995 2155 V HN 0.774 nan 8.190 nan 0.000 0.476 2156 T N 3.706 118.199 114.554 -0.102 0.000 2.829 2156 T HA 0.638 4.988 4.350 0.000 0.000 0.280 2156 T C -0.067 174.511 174.700 -0.204 0.000 0.999 2156 T CA -0.271 61.749 62.100 -0.133 0.000 0.983 2156 T CB 1.594 70.416 68.868 -0.076 0.000 0.968 2156 T HN 0.910 nan 8.240 nan 0.000 0.446 2157 A N 2.377 125.021 122.820 -0.295 0.000 2.320 2157 A HA 0.624 4.944 4.320 0.000 0.000 0.287 2157 A C 0.356 177.890 177.584 -0.083 0.000 1.181 2157 A CA -0.426 51.401 52.037 -0.350 0.000 0.831 2157 A CB 0.360 18.978 19.000 -0.636 0.000 1.102 2157 A HN 0.641 nan 8.150 nan 0.000 0.513 2158 S N 2.043 117.704 115.700 -0.065 0.000 2.640 2158 S HA 0.538 5.008 4.470 0.000 0.000 0.320 2158 S C -0.351 174.262 174.600 0.021 0.000 1.097 2158 S CA -0.330 57.869 58.200 -0.002 0.000 1.092 2158 S CB 0.572 63.761 63.200 -0.017 0.000 0.988 2158 S HN 1.049 nan 8.310 nan 0.000 0.470 2159 S N 3.410 119.122 115.700 0.021 0.000 2.454 2159 S HA 0.355 4.825 4.470 0.000 0.000 0.306 2159 S C 0.413 174.997 174.600 -0.026 0.000 1.100 2159 S CA -0.598 57.594 58.200 -0.014 0.000 1.087 2159 S CB 1.162 64.286 63.200 -0.127 0.000 1.019 2159 S HN 0.717 nan 8.310 nan 0.000 0.480 2160 D N 2.368 122.764 120.400 -0.007 0.000 2.384 2160 D HA 0.063 4.703 4.640 0.000 0.000 0.222 2160 D C 0.845 177.131 176.300 -0.024 0.000 0.976 2160 D CA 1.003 55.000 54.000 -0.004 0.000 0.915 2160 D CB 0.093 40.907 40.800 0.023 0.000 0.896 2160 D HN 0.729 nan 8.370 nan 0.000 0.523 2161 T N -4.291 110.215 114.554 -0.080 0.000 2.906 2161 T HA 0.316 4.666 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 -0.913 61.153 62.100 -0.057 0.000 1.005 2161 T CB 1.201 70.027 68.868 -0.070 0.000 1.136 2161 T HN -0.106 nan 8.240 nan 0.000 0.498 2162 F N -0.163 119.649 119.950 -0.231 0.000 2.387 2162 F HA 0.231 4.758 4.527 0.000 0.000 0.294 2162 F C 0.939 176.398 175.800 -0.568 0.000 1.093 2162 F CA 0.534 58.281 58.000 -0.423 0.000 1.420 2162 F CB -0.004 38.688 39.000 -0.514 0.000 1.086 2162 F HN 0.653 nan 8.300 nan 0.000 0.531 2163 Y N 1.023 121.311 120.300 -0.021 0.000 2.483 2163 Y HA 0.148 4.698 4.550 0.000 0.000 0.243 2163 Y C -0.404 175.326 175.900 -0.282 0.000 1.024 2163 Y CA 0.359 58.389 58.100 -0.117 0.000 1.091 2163 Y CB -2.144 36.323 38.460 0.012 0.000 1.034 2163 Y HN -0.224 nan 8.280 nan 0.000 0.475 2164 P HA -0.129 nan 4.420 nan 0.000 0.215 2164 P C 1.497 178.501 177.300 -0.493 0.000 1.153 2164 P CA 2.314 65.268 63.100 -0.243 0.000 0.853 2164 P CB -0.316 31.299 31.700 -0.142 0.000 0.788 2165 G N -0.283 108.126 108.800 -0.651 0.000 2.509 2165 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 2165 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 2165 G C 1.331 175.780 174.900 -0.751 0.000 1.124 2165 G CA 0.292 44.759 45.100 -1.055 0.000 0.776 2165 G HN 0.384 nan 8.290 nan 0.000 0.547 2166 Q N -0.640 118.701 119.800 -0.765 0.000 2.188 2166 Q HA 0.210 4.550 4.340 0.000 0.000 0.212 2166 Q C 0.021 175.662 176.000 -0.599 0.000 0.846 2166 Q CA -0.300 54.790 55.803 -1.189 0.000 0.989 2166 Q CB 0.512 28.486 28.738 -1.274 0.000 1.114 2166 Q HN 0.546 nan 8.270 nan 0.000 0.488 2167 E N 1.625 121.605 120.200 -0.365 0.000 2.269 2167 E HA -0.239 4.111 4.350 0.000 0.000 0.223 2167 E C -0.854 175.568 176.600 -0.297 0.000 1.244 2167 E CA 0.165 56.406 56.400 -0.266 0.000 0.713 2167 E CB -0.357 29.336 29.700 -0.011 0.000 1.178 2167 E HN 0.340 nan 8.360 nan 0.000 0.370 2168 R N -0.155 120.162 120.500 -0.305 0.000 2.390 2168 R HA 0.175 4.515 4.340 0.000 0.000 0.291 2168 R C 0.399 176.564 176.300 -0.225 0.000 1.070 2168 R CA -0.061 55.954 56.100 -0.142 0.000 1.014 2168 R CB 0.446 30.736 30.300 -0.017 0.000 1.007 2168 R HN 0.200 nan 8.270 nan 0.000 0.466 2169 Y N -0.297 120.040 120.300 0.062 0.000 2.462 2169 Y HA 0.080 4.630 4.550 0.000 0.000 0.253 2169 Y C 0.120 176.049 175.900 0.048 0.000 1.095 2169 Y CA -0.140 57.989 58.100 0.048 0.000 1.283 2169 Y CB 0.586 39.064 38.460 0.030 0.000 1.138 2169 Y HN 0.485 nan 8.280 nan 0.000 0.522 2170 D N 1.591 122.106 120.400 0.191 0.000 2.498 2170 D HA 0.137 4.777 4.640 0.000 0.000 0.229 2170 D C 0.115 176.464 176.300 0.082 0.000 1.188 2170 D CA 0.414 54.493 54.000 0.132 0.000 1.028 2170 D CB -0.084 40.800 40.800 0.140 0.000 1.087 2170 D HN 0.213 nan 8.370 nan 0.000 0.510 2171 T N -2.423 112.147 114.554 0.027 0.000 2.841 2171 T HA 0.144 4.494 4.350 0.000 0.000 0.296 2171 T C 0.850 175.540 174.700 -0.018 0.000 1.166 2171 T CA -0.873 61.188 62.100 -0.065 0.000 1.007 2171 T CB 0.725 69.542 68.868 -0.084 0.000 1.253 2171 T HN 0.092 nan 8.240 nan 0.000 0.511 2172 Y N 2.061 122.284 120.300 -0.129 0.000 2.096 2172 Y HA -0.242 4.308 4.550 0.000 0.000 0.278 2172 Y C 2.595 178.472 175.900 -0.039 0.000 1.192 2172 Y CA 2.992 61.044 58.100 -0.079 0.000 1.143 2172 Y CB -0.545 37.860 38.460 -0.091 0.000 0.963 2172 Y HN 0.787 nan 8.280 nan 0.000 0.505 2173 S N -1.673 113.925 115.700 -0.169 0.000 2.483 2173 S HA 0.242 4.712 4.470 0.000 0.000 0.221 2173 S C 1.893 176.434 174.600 -0.098 0.000 1.030 2173 S CA 0.537 58.606 58.200 -0.219 0.000 0.925 2173 S CB -0.251 62.921 63.200 -0.047 0.000 0.795 2173 S HN 1.051 nan 8.310 nan 0.000 0.511 2174 G N 2.047 110.834 108.800 -0.021 0.000 2.175 2174 G HA2 -0.322 3.638 3.960 0.000 0.000 0.265 2174 G HA3 -0.322 3.638 3.960 0.000 0.000 0.265 2174 G C 0.059 175.058 174.900 0.165 0.000 0.979 2174 G CA 0.533 45.679 45.100 0.076 0.000 0.663 2174 G HN 0.894 nan 8.290 nan 0.000 0.533 2175 R N -1.161 119.395 120.500 0.094 0.000 2.828 2175 R HA 0.836 5.176 4.340 0.000 0.000 0.264 2175 R C -0.824 175.501 176.300 0.041 0.000 1.022 2175 R CA -1.063 55.117 56.100 0.133 0.000 1.021 2175 R CB 2.061 32.418 30.300 0.094 0.000 1.163 2175 R HN 0.165 nan 8.270 nan 0.000 0.494 2176 V N 1.636 121.589 119.914 0.065 0.000 2.588 2176 V HA 0.198 4.318 4.120 0.000 0.000 0.304 2176 V C -0.040 176.118 176.094 0.105 0.000 1.042 2176 V CA -1.120 61.173 62.300 -0.012 0.000 0.877 2176 V CB 1.981 33.686 31.823 -0.197 0.000 0.996 2176 V HN 0.636 nan 8.190 nan 0.000 0.425 2177 V N 6.136 126.131 119.914 0.135 0.000 2.752 2177 V HA -0.037 4.083 4.120 0.000 0.000 0.306 2177 V C 1.960 178.160 176.094 0.177 0.000 1.099 2177 V CA 1.043 63.445 62.300 0.169 0.000 1.240 2177 V CB 0.613 32.566 31.823 0.217 0.000 0.887 2177 V HN 0.989 nan 8.190 nan 0.000 0.499 2178 R N 3.772 124.349 120.500 0.128 0.000 2.189 2178 R HA -0.309 4.031 4.340 0.000 0.000 0.252 2178 R C 1.963 178.307 176.300 0.073 0.000 1.134 2178 R CA 2.922 59.077 56.100 0.093 0.000 0.954 2178 R CB -0.699 29.645 30.300 0.073 0.000 0.890 2178 R HN 1.016 nan 8.270 nan 0.000 0.443 2179 H N -1.028 118.028 119.070 -0.024 0.000 2.390 2179 H HA -0.152 4.404 4.556 0.000 0.000 0.298 2179 H C 1.230 176.379 175.328 -0.298 0.000 1.106 2179 H CA 2.369 58.306 56.048 -0.186 0.000 1.297 2179 H CB -0.209 29.387 29.762 -0.278 0.000 1.375 2179 H HN 0.312 nan 8.280 nan 0.000 0.509 2180 F N -0.098 119.831 119.950 -0.034 0.000 2.695 2180 F HA 0.234 4.761 4.527 0.000 0.000 0.303 2180 F C 0.909 176.676 175.800 -0.054 0.000 1.091 2180 F CA -0.256 57.698 58.000 -0.077 0.000 1.300 2180 F CB 0.316 39.325 39.000 0.015 0.000 1.071 2180 F HN -0.165 nan 8.300 nan 0.000 0.578 2181 K N 0.762 121.229 120.400 0.112 0.000 2.436 2181 K HA 0.218 4.538 4.320 0.000 0.000 0.282 2181 K C 1.118 177.742 176.600 0.040 0.000 1.044 2181 K CA 0.874 57.233 56.287 0.121 0.000 1.028 2181 K CB 0.169 32.735 32.500 0.109 0.000 0.919 2181 K HN 0.388 nan 8.250 nan 0.000 0.474 2182 G N 2.044 110.889 108.800 0.075 0.000 2.148 2182 G HA2 -0.332 3.628 3.960 0.000 0.000 0.254 2182 G HA3 -0.332 3.628 3.960 0.000 0.000 0.254 2182 G C 0.843 175.684 174.900 -0.097 0.000 0.981 2182 G CA 0.805 45.903 45.100 -0.003 0.000 0.670 2182 G HN 0.696 nan 8.290 nan 0.000 0.528 2183 S N -0.724 114.926 115.700 -0.082 0.000 2.387 2183 S HA 0.070 4.540 4.470 0.000 0.000 0.226 2183 S C 2.263 176.676 174.600 -0.312 0.000 1.026 2183 S CA 1.548 59.578 58.200 -0.282 0.000 0.972 2183 S CB -0.265 62.911 63.200 -0.040 0.000 0.814 2183 S HN 0.645 nan 8.310 nan 0.000 0.477 2184 M N 1.634 121.273 119.600 0.066 0.000 2.117 2184 M HA -0.122 4.358 4.480 0.000 0.000 0.262 2184 M C 2.375 178.705 176.300 0.049 0.000 1.065 2184 M CA 2.161 57.589 55.300 0.213 0.000 1.114 2184 M CB -0.290 32.491 32.600 0.302 0.000 1.361 2184 M HN 0.538 nan 8.290 nan 0.000 0.408 2185 E N -0.037 120.158 120.200 -0.009 0.000 2.118 2185 E HA -0.237 4.113 4.350 0.000 0.000 0.195 2185 E C 1.819 178.363 176.600 -0.093 0.000 0.992 2185 E CA 1.359 57.739 56.400 -0.032 0.000 0.804 2185 E CB -0.016 29.667 29.700 -0.028 0.000 0.741 2185 E HN 0.540 nan 8.360 nan 0.000 0.458 2186 E N -0.145 119.913 120.200 -0.237 0.000 2.047 2186 E HA -0.182 4.168 4.350 0.000 0.000 0.191 2186 E C 1.854 178.351 176.600 -0.172 0.000 0.987 2186 E CA 1.332 57.546 56.400 -0.310 0.000 0.799 2186 E CB -0.313 29.043 29.700 -0.575 0.000 0.752 2186 E HN 0.509 nan 8.360 nan 0.000 0.449 2187 W N 1.701 122.994 121.300 -0.010 0.000 2.338 2187 W HA -0.212 4.448 4.660 0.000 0.000 0.304 2187 W C 2.548 179.030 176.519 -0.062 0.000 1.212 2187 W CA 0.641 57.957 57.345 -0.048 0.000 1.264 2187 W CB -0.261 29.135 29.460 -0.106 0.000 1.142 2187 W HN 0.160 nan 8.180 nan 0.000 0.512 2188 Q N 0.588 120.464 119.800 0.128 0.000 2.079 2188 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 2188 Q C 2.454 178.488 176.000 0.056 0.000 0.974 2188 Q CA 1.479 57.321 55.803 0.065 0.000 0.840 2188 Q CB -0.940 27.820 28.738 0.037 0.000 0.898 2188 Q HN 0.304 nan 8.270 nan 0.000 0.430 2189 A N 1.294 124.137 122.820 0.037 0.000 2.024 2189 A HA -0.131 4.189 4.320 0.000 0.000 0.220 2189 A C 1.968 179.580 177.584 0.046 0.000 1.164 2189 A CA 1.385 53.438 52.037 0.026 0.000 0.643 2189 A CB -0.485 18.514 19.000 -0.001 0.000 0.806 2189 A HN 0.341 nan 8.150 nan 0.000 0.451 2190 M N -1.319 118.331 119.600 0.083 0.000 2.563 2190 M HA 0.185 4.665 4.480 0.000 0.000 0.231 2190 M C 1.293 177.643 176.300 0.084 0.000 1.136 2190 M CA 0.697 56.058 55.300 0.101 0.000 1.026 2190 M CB 0.241 32.950 32.600 0.181 0.000 1.597 2190 M HN 0.608 nan 8.290 nan 0.000 0.495 2191 G N 0.672 109.515 108.800 0.070 0.000 2.148 2191 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 2191 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 2191 G C 0.096 175.018 174.900 0.036 0.000 0.981 2191 G CA -0.113 45.020 45.100 0.055 0.000 0.670 2191 G HN 0.327 nan 8.290 nan 0.000 0.528 2192 V N 1.524 121.459 119.914 0.036 0.000 2.599 2192 V HA 0.183 4.303 4.120 0.000 0.000 0.300 2192 V C 1.848 177.895 176.094 -0.078 0.000 1.034 2192 V CA 1.170 63.450 62.300 -0.033 0.000 1.115 2192 V CB 1.211 33.002 31.823 -0.054 0.000 0.934 2192 V HN 0.402 nan 8.190 nan 0.000 0.485 2193 M N 3.192 122.730 119.600 -0.103 0.000 2.287 2193 M HA 0.108 4.588 4.480 0.000 0.000 0.266 2193 M C 0.583 176.783 176.300 -0.167 0.000 1.079 2193 M CA 0.963 56.187 55.300 -0.126 0.000 1.146 2193 M CB 0.022 32.565 32.600 -0.094 0.000 1.374 2193 M HN 0.961 nan 8.290 nan 0.000 0.435 2194 N N -1.769 116.810 118.700 -0.201 0.000 3.185 2194 N HA 0.140 4.880 4.740 0.000 0.000 0.238 2194 N C -2.016 173.339 175.510 -0.257 0.000 1.451 2194 N CA -0.667 52.267 53.050 -0.193 0.000 0.888 2194 N CB 1.043 39.475 38.487 -0.093 0.000 1.413 2194 N HN -0.121 nan 8.380 nan 0.000 0.511 2195 Y N -0.065 120.183 120.300 -0.086 0.000 2.360 2195 Y HA 0.505 5.055 4.550 0.000 0.000 0.337 2195 Y C 0.423 176.265 175.900 -0.095 0.000 1.039 2195 Y CA -0.105 57.929 58.100 -0.110 0.000 1.109 2195 Y CB 1.508 39.883 38.460 -0.140 0.000 1.201 2195 Y HN 0.806 nan 8.280 nan 0.000 0.458 2196 E N -0.078 120.183 120.200 0.101 0.000 2.368 2196 E HA 0.506 4.856 4.350 0.000 0.000 0.257 2196 E C -0.955 175.664 176.600 0.032 0.000 1.022 2196 E CA -0.703 55.727 56.400 0.050 0.000 0.886 2196 E CB 1.071 30.790 29.700 0.033 0.000 1.740 2196 E HN 0.436 nan 8.360 nan 0.000 0.456 2197 M N -0.649 118.967 119.600 0.026 0.000 2.300 2197 M HA 0.346 4.826 4.480 0.000 0.000 0.313 2197 M C -0.025 176.282 176.300 0.011 0.000 0.988 2197 M CA 0.256 55.567 55.300 0.017 0.000 1.012 2197 M CB 0.657 33.273 32.600 0.026 0.000 1.586 2197 M HN 0.500 nan 8.290 nan 0.000 0.562 2198 E N -0.579 119.626 120.200 0.009 0.000 2.500 2198 E HA 0.062 4.412 4.350 0.000 0.000 0.217 2198 E C 1.831 178.426 176.600 -0.008 0.000 0.848 2198 E CA 0.617 57.018 56.400 0.002 0.000 1.217 2198 E CB 0.354 30.058 29.700 0.006 0.000 1.217 2198 E HN 0.305 nan 8.360 nan 0.000 0.573 2199 S N 1.085 116.782 115.700 -0.005 0.000 2.370 2199 S HA -0.199 4.271 4.470 0.000 0.000 0.226 2199 S C 2.233 176.825 174.600 -0.013 0.000 1.033 2199 S CA 1.143 59.337 58.200 -0.010 0.000 1.011 2199 S CB -0.423 62.772 63.200 -0.008 0.000 0.852 2199 S HN 0.245 nan 8.310 nan 0.000 0.457 2200 A N 1.877 124.693 122.820 -0.007 0.000 1.883 2200 A HA -0.061 4.259 4.320 0.000 0.000 0.217 2200 A C 2.487 180.074 177.584 0.005 0.000 1.186 2200 A CA 2.243 54.284 52.037 0.006 0.000 0.624 2200 A CB -1.760 17.248 19.000 0.015 0.000 0.822 2200 A HN 0.577 nan 8.150 nan 0.000 0.444 2201 T N 0.051 114.600 114.554 -0.007 0.000 2.674 2201 T HA -0.142 4.208 4.350 0.000 0.000 0.265 2201 T C 1.878 176.506 174.700 -0.120 0.000 1.039 2201 T CA 1.549 63.630 62.100 -0.032 0.000 1.150 2201 T CB -0.468 68.388 68.868 -0.020 0.000 0.864 2201 T HN 0.345 nan 8.240 nan 0.000 0.427 2202 L N 1.122 122.279 121.223 -0.109 0.000 1.970 2202 L HA -0.043 4.297 4.340 0.000 0.000 0.212 2202 L C 2.230 179.010 176.870 -0.150 0.000 1.071 2202 L CA 1.753 56.496 54.840 -0.162 0.000 0.751 2202 L CB -0.757 41.241 42.059 -0.102 0.000 0.889 2202 L HN 0.250 nan 8.230 nan 0.000 0.432 2203 L N -1.286 119.898 121.223 -0.066 0.000 2.083 2203 L HA -0.187 4.153 4.340 0.000 0.000 0.209 2203 L C 2.337 179.208 176.870 0.002 0.000 1.083 2203 L CA 1.654 56.483 54.840 -0.017 0.000 0.752 2203 L CB -1.139 40.931 42.059 0.018 0.000 0.899 2203 L HN 0.336 nan 8.230 nan 0.000 0.433 2204 T N 0.487 115.036 114.554 -0.008 0.000 2.770 2204 T HA -0.177 4.173 4.350 0.000 0.000 0.263 2204 T C 1.880 176.493 174.700 -0.145 0.000 1.039 2204 T CA 1.750 63.864 62.100 0.024 0.000 1.142 2204 T CB -0.210 68.698 68.868 0.067 0.000 0.868 2204 T HN 0.432 nan 8.240 nan 0.000 0.435 2205 M N 0.470 119.860 119.600 -0.350 0.000 2.159 2205 M HA -0.048 4.432 4.480 0.000 0.000 0.263 2205 M C 2.268 178.313 176.300 -0.424 0.000 1.063 2205 M CA 1.584 56.448 55.300 -0.727 0.000 1.110 2205 M CB -1.166 30.531 32.600 -1.505 0.000 1.374 2205 M HN 0.189 nan 8.290 nan 0.000 0.411 2206 C N 1.425 120.558 119.300 -0.277 0.000 2.489 2206 C HA 0.127 4.587 4.460 0.000 0.000 0.279 2206 C C 3.313 178.288 174.990 -0.025 0.000 1.266 2206 C CA 0.979 59.914 59.018 -0.138 0.000 1.707 2206 C CB -1.334 26.355 27.740 -0.085 0.000 2.059 2206 C HN 0.771 nan 8.230 nan 0.000 0.481 2207 A N 1.237 124.081 122.820 0.041 0.000 1.986 2207 A HA -0.187 4.133 4.320 0.000 0.000 0.220 2207 A C 2.160 179.847 177.584 0.172 0.000 1.171 2207 A CA 2.432 54.568 52.037 0.165 0.000 0.640 2207 A CB -0.725 18.463 19.000 0.314 0.000 0.811 2207 A HN 0.748 nan 8.150 nan 0.000 0.451 2208 S N -1.909 113.780 115.700 -0.018 0.000 2.575 2208 S HA 0.164 4.634 4.470 0.000 0.000 0.215 2208 S C 0.953 175.516 174.600 -0.061 0.000 0.966 2208 S CA 0.360 58.465 58.200 -0.159 0.000 0.911 2208 S CB 0.058 62.951 63.200 -0.511 0.000 0.780 2208 S HN 0.664 nan 8.310 nan 0.000 0.514 2209 Q N 0.166 119.951 119.800 -0.025 0.000 2.093 2209 Q HA 0.352 4.692 4.340 0.000 0.000 0.217 2209 Q C 0.759 176.777 176.000 0.030 0.000 0.785 2209 Q CA 0.067 55.870 55.803 0.000 0.000 1.038 2209 Q CB 1.069 29.794 28.738 -0.021 0.000 1.190 2209 Q HN 0.623 nan 8.270 nan 0.000 0.468 2210 G N 1.475 110.304 108.800 0.048 0.000 2.153 2210 G HA2 -0.273 3.687 3.960 0.000 0.000 0.252 2210 G HA3 -0.273 3.687 3.960 0.000 0.000 0.252 2210 G C -0.058 174.885 174.900 0.071 0.000 0.994 2210 G CA 0.141 45.277 45.100 0.061 0.000 0.698 2210 G HN 0.253 nan 8.290 nan 0.000 0.521 2211 L N -0.217 121.053 121.223 0.078 0.000 2.322 2211 L HA 0.613 4.953 4.340 0.000 0.000 0.279 2211 L C 1.048 177.996 176.870 0.129 0.000 1.036 2211 L CA -1.064 53.854 54.840 0.130 0.000 0.807 2211 L CB 1.189 43.364 42.059 0.193 0.000 1.226 2211 L HN 0.046 nan 8.230 nan 0.000 0.433 2212 R N 1.874 122.459 120.500 0.143 0.000 2.308 2212 R HA 0.717 5.057 4.340 0.000 0.000 0.305 2212 R C -0.624 175.773 176.300 0.161 0.000 1.053 2212 R CA -0.391 55.780 56.100 0.118 0.000 0.957 2212 R CB 1.413 31.759 30.300 0.076 0.000 1.022 2212 R HN 0.731 nan 8.270 nan 0.000 0.461 2213 A N 1.571 124.463 122.820 0.120 0.000 2.449 2213 A HA 0.796 5.116 4.320 0.000 0.000 0.302 2213 A C -0.669 176.959 177.584 0.072 0.000 1.048 2213 A CA -0.629 51.481 52.037 0.121 0.000 0.708 2213 A CB 2.151 21.201 19.000 0.083 0.000 1.274 2213 A HN 0.762 nan 8.150 nan 0.000 0.410 2214 G N -0.344 108.495 108.800 0.064 0.000 2.658 2214 G HA2 0.708 4.668 3.960 0.000 0.000 0.292 2214 G HA3 0.708 4.668 3.960 0.000 0.000 0.292 2214 G C -1.179 173.740 174.900 0.032 0.000 1.320 2214 G CA -0.568 44.552 45.100 0.033 0.000 0.933 2214 G HN 1.254 nan 8.290 nan 0.000 0.476 2215 M N 1.273 120.883 119.600 0.017 0.000 2.238 2215 M HA 0.679 5.159 4.480 0.000 0.000 0.278 2215 M C -1.947 174.359 176.300 0.009 0.000 1.040 2215 M CA -0.755 54.555 55.300 0.016 0.000 0.969 2215 M CB 1.866 34.473 32.600 0.012 0.000 1.694 2215 M HN 0.773 nan 8.290 nan 0.000 0.472 2216 V N 4.080 124.001 119.914 0.012 0.000 2.841 2216 V HA 1.053 5.173 4.120 0.000 0.000 0.310 2216 V C -1.647 174.457 176.094 0.015 0.000 1.090 2216 V CA 0.191 62.497 62.300 0.010 0.000 0.930 2216 V CB 1.997 33.823 31.823 0.004 0.000 1.014 2216 V HN 1.252 nan 8.190 nan 0.000 0.425 2217 A N 3.670 126.501 122.820 0.018 0.000 2.572 2217 A HA 0.913 5.233 4.320 0.000 0.000 0.295 2217 A C -0.213 177.388 177.584 0.029 0.000 1.072 2217 A CA -0.161 51.889 52.037 0.022 0.000 0.691 2217 A CB 1.837 20.849 19.000 0.020 0.000 1.291 2217 A HN 1.608 nan 8.150 nan 0.000 0.404 2218 G N -0.020 108.799 108.800 0.032 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 -0.497 174.422 174.900 0.032 0.000 1.145 2218 G CA -0.316 44.807 45.100 0.038 0.000 0.850 2218 G HN 0.888 nan 8.290 nan 0.000 0.487 2219 V N 3.470 123.404 119.914 0.034 0.000 2.427 2219 V HA 0.110 4.230 4.120 0.000 0.000 0.268 2219 V C 1.258 177.365 176.094 0.021 0.000 1.046 2219 V CA 0.009 62.322 62.300 0.023 0.000 0.970 2219 V CB 0.789 32.623 31.823 0.017 0.000 1.001 2219 V HN 0.765 nan 8.190 nan 0.000 0.476 2220 I N 3.386 123.970 120.570 0.023 0.000 4.057 2220 I HA 0.509 4.679 4.170 0.000 0.000 0.334 2220 I C 0.236 176.368 176.117 0.026 0.000 1.308 2220 I CA 0.338 61.653 61.300 0.024 0.000 1.125 2220 I CB 0.905 38.923 38.000 0.031 0.000 1.034 2220 I HN 0.400 nan 8.210 nan 0.000 0.401 2221 V N 1.288 121.214 119.914 0.021 0.000 3.000 2221 V HA 0.405 4.525 4.120 0.000 0.000 0.300 2221 V C -1.725 174.373 176.094 0.006 0.000 1.251 2221 V CA -0.629 61.682 62.300 0.019 0.000 0.972 2221 V CB 2.322 34.163 31.823 0.029 0.000 1.065 2221 V HN 0.346 nan 8.190 nan 0.000 0.431 2222 N N 4.941 123.643 118.700 0.003 0.000 2.437 2222 N HA 0.363 5.103 4.740 0.000 0.000 0.259 2222 N C 0.594 176.108 175.510 0.007 0.000 0.983 2222 N CA -0.537 52.509 53.050 -0.007 0.000 0.937 2222 N CB 1.553 40.030 38.487 -0.018 0.000 1.122 2222 N HN 0.590 nan 8.380 nan 0.000 0.499 2223 R N 1.119 121.626 120.500 0.013 0.000 2.316 2223 R HA -0.024 4.316 4.340 0.000 0.000 0.202 2223 R C 1.320 177.644 176.300 0.039 0.000 1.029 2223 R CA 0.678 56.800 56.100 0.036 0.000 1.018 2223 R CB -0.601 29.742 30.300 0.072 0.000 0.888 2223 R HN 0.676 nan 8.270 nan 0.000 0.471 2224 T N -3.185 111.383 114.554 0.022 0.000 3.148 2224 T HA 0.030 4.380 4.350 0.000 0.000 0.253 2224 T C 1.505 176.220 174.700 0.024 0.000 1.134 2224 T CA 0.583 62.697 62.100 0.024 0.000 1.051 2224 T CB 0.253 69.129 68.868 0.014 0.000 0.959 2224 T HN 0.204 nan 8.240 nan 0.000 0.525 2225 Q N -0.438 119.376 119.800 0.023 0.000 2.422 2225 Q HA 0.385 4.725 4.340 0.000 0.000 0.255 2225 Q C 0.383 176.401 176.000 0.030 0.000 0.864 2225 Q CA 0.101 55.918 55.803 0.024 0.000 0.968 2225 Q CB 0.913 29.662 28.738 0.019 0.000 1.130 2225 Q HN 0.485 nan 8.270 nan 0.000 0.556 2226 Q N -1.150 118.671 119.800 0.035 0.000 2.527 2226 Q HA 0.171 4.511 4.340 0.000 0.000 0.280 2226 Q C -0.705 175.322 176.000 0.044 0.000 0.977 2226 Q CA -0.156 55.672 55.803 0.042 0.000 0.837 2226 Q CB 1.892 30.653 28.738 0.037 0.000 1.454 2226 Q HN 0.011 nan 8.270 nan 0.000 0.387 2227 E N 0.548 120.782 120.200 0.057 0.000 2.162 2227 E HA 0.126 4.476 4.350 0.000 0.000 0.193 2227 E C 0.081 176.716 176.600 0.058 0.000 0.953 2227 E CA 0.480 56.908 56.400 0.048 0.000 0.849 2227 E CB 0.699 30.449 29.700 0.082 0.000 0.810 2227 E HN 0.310 nan 8.360 nan 0.000 0.470 2228 I N 2.636 123.262 120.570 0.093 0.000 2.354 2228 I HA 0.272 4.442 4.170 0.000 0.000 0.292 2228 I C -2.346 173.826 176.117 0.091 0.000 0.989 2228 I CA -3.158 58.218 61.300 0.127 0.000 1.188 2228 I CB 0.729 38.813 38.000 0.141 0.000 1.342 2228 I HN -0.211 nan 8.210 nan 0.000 0.457 2229 P HA 0.088 nan 4.420 nan 0.000 0.267 2229 P C 0.023 177.352 177.300 0.049 0.000 1.200 2229 P CA -0.090 63.050 63.100 0.065 0.000 0.772 2229 P CB 0.552 32.295 31.700 0.072 0.000 0.855 2240 H N 1.952 121.014 119.070 -0.012 0.000 2.389 2240 H HA 0.363 4.919 4.556 0.000 0.000 0.299 2240 H C 2.222 177.541 175.328 -0.014 0.000 1.081 2240 H CA 1.710 57.750 56.048 -0.013 0.000 1.345 2240 H CB -0.424 29.331 29.762 -0.010 0.000 1.393 2240 H HN 0.501 nan 8.280 nan 0.000 0.520 2241 A N -0.001 122.890 122.820 0.119 0.000 1.929 2241 A HA -0.066 4.254 4.320 0.000 0.000 0.216 2241 A C 2.719 180.320 177.584 0.029 0.000 1.176 2241 A CA 1.330 53.399 52.037 0.053 0.000 0.628 2241 A CB -0.647 18.379 19.000 0.043 0.000 0.816 2241 A HN 0.231 nan 8.150 nan 0.000 0.444 2242 V N -0.031 119.901 119.914 0.029 0.000 2.307 2242 V HA -0.255 3.865 4.120 0.000 0.000 0.245 2242 V C 2.459 178.557 176.094 0.007 0.000 1.045 2242 V CA 2.370 64.675 62.300 0.010 0.000 1.024 2242 V CB -0.672 31.150 31.823 -0.002 0.000 0.651 2242 V HN 0.526 nan 8.190 nan 0.000 0.449 2243 K N -0.193 120.220 120.400 0.021 0.000 2.063 2243 K HA -0.142 4.178 4.320 0.000 0.000 0.208 2243 K C 1.931 178.526 176.600 -0.009 0.000 1.048 2243 K CA 1.662 57.956 56.287 0.011 0.000 0.928 2243 K CB -0.316 32.205 32.500 0.036 0.000 0.713 2243 K HN 0.413 nan 8.250 nan 0.000 0.442 2244 I N -0.565 119.997 120.570 -0.014 0.000 2.252 2244 I HA -0.240 3.930 4.170 0.000 0.000 0.245 2244 I C 2.145 178.248 176.117 -0.023 0.000 1.102 2244 I CA 0.717 61.999 61.300 -0.031 0.000 1.385 2244 I CB -0.147 37.829 38.000 -0.039 0.000 1.064 2244 I HN 0.006 nan 8.210 nan 0.000 0.414 2245 V N 0.390 120.297 119.914 -0.012 0.000 2.343 2245 V HA -0.217 3.903 4.120 0.000 0.000 0.247 2245 V C 2.391 178.477 176.094 -0.013 0.000 1.051 2245 V CA 1.727 64.021 62.300 -0.010 0.000 1.036 2245 V CB 0.105 31.927 31.823 -0.000 0.000 0.654 2245 V HN 0.208 nan 8.190 nan 0.000 0.451 2246 V N 0.117 120.023 119.914 -0.013 0.000 2.295 2246 V HA -0.227 3.893 4.120 0.000 0.000 0.246 2246 V C 2.533 178.616 176.094 -0.018 0.000 1.049 2246 V CA 2.334 64.626 62.300 -0.015 0.000 1.024 2246 V CB -0.747 31.067 31.823 -0.014 0.000 0.648 2246 V HN 0.694 nan 8.190 nan 0.000 0.447 2247 E N 0.821 121.008 120.200 -0.022 0.000 2.153 2247 E HA -0.175 4.175 4.350 0.000 0.000 0.194 2247 E C 2.043 178.625 176.600 -0.030 0.000 0.988 2247 E CA 1.653 58.037 56.400 -0.026 0.000 0.811 2247 E CB -0.426 29.255 29.700 -0.031 0.000 0.746 2247 E HN 0.523 nan 8.360 nan 0.000 0.466 2248 A N 0.838 123.640 122.820 -0.031 0.000 1.873 2248 A HA 0.034 4.354 4.320 0.000 0.000 0.215 2248 A C 2.485 180.050 177.584 -0.032 0.000 1.186 2248 A CA 1.905 53.921 52.037 -0.035 0.000 0.616 2248 A CB -1.110 17.869 19.000 -0.035 0.000 0.823 2248 A HN 0.392 nan 8.150 nan 0.000 0.442 2249 A N -0.152 122.652 122.820 -0.026 0.000 1.892 2249 A HA -0.264 4.056 4.320 0.000 0.000 0.218 2249 A C 2.210 179.778 177.584 -0.026 0.000 1.188 2249 A CA 2.126 54.148 52.037 -0.026 0.000 0.631 2249 A CB -0.581 18.406 19.000 -0.022 0.000 0.822 2249 A HN 0.539 nan 8.150 nan 0.000 0.447 2250 R N -0.667 119.819 120.500 -0.023 0.000 2.113 2250 R HA -0.180 4.160 4.340 0.000 0.000 0.244 2250 R C 2.263 178.549 176.300 -0.023 0.000 1.142 2250 R CA 2.139 58.226 56.100 -0.021 0.000 0.953 2250 R CB -0.208 30.080 30.300 -0.020 0.000 0.860 2250 R HN 0.536 nan 8.270 nan 0.000 0.438 2251 R N -0.449 120.035 120.500 -0.028 0.000 2.276 2251 R HA 0.040 4.380 4.340 0.000 0.000 0.203 2251 R C 1.463 177.745 176.300 -0.030 0.000 1.017 2251 R CA 0.584 56.666 56.100 -0.030 0.000 1.010 2251 R CB 0.170 30.447 30.300 -0.038 0.000 0.900 2251 R HN 0.248 nan 8.270 nan 0.000 0.469 2252 L N 0.175 121.380 121.223 -0.030 0.000 2.607 2252 L HA 0.201 4.541 4.340 0.000 0.000 0.228 2252 L C 0.451 177.305 176.870 -0.026 0.000 1.123 2252 L CA -0.184 54.638 54.840 -0.029 0.000 0.890 2252 L CB 0.163 42.203 42.059 -0.032 0.000 1.103 2252 L HN 0.085 nan 8.230 nan 0.000 0.468 2253 L N 0.000 121.209 121.223 -0.024 0.000 2.949 2253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 2253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502