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 3dps_1_F DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQXXXXXXX XXXXXXXXXS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQXEXXXXXX XKQTESHAVK 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 0.000 174.534 174.600 -0.110 0.000 1.055 2004 S CA 0.000 58.153 58.200 -0.079 0.000 1.107 2004 S CB 0.000 63.142 63.200 -0.097 0.000 0.593 2005 D N 0.891 121.228 120.400 -0.104 0.000 2.347 2005 D HA 0.147 4.787 4.640 -0.000 0.000 0.213 2005 D C 0.908 177.089 176.300 -0.200 0.000 0.985 2005 D CA 1.479 55.401 54.000 -0.129 0.000 0.879 2005 D CB 0.359 41.108 40.800 -0.085 0.000 0.919 2005 D HN 0.594 nan 8.370 nan 0.000 0.526 2006 V N -3.206 116.592 119.914 -0.193 0.000 3.040 2006 V HA 0.381 4.501 4.120 -0.000 0.000 0.312 2006 V C 0.787 176.756 176.094 -0.209 0.000 1.115 2006 V CA -0.897 61.271 62.300 -0.221 0.000 0.998 2006 V CB 1.349 33.120 31.823 -0.087 0.000 1.042 2006 V HN -0.262 nan 8.190 nan 0.000 0.433 2007 F N 0.486 120.408 119.950 -0.046 0.000 2.234 2007 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 2007 F C 2.040 177.643 175.800 -0.328 0.000 1.087 2007 F CA 2.430 60.327 58.000 -0.171 0.000 1.340 2007 F CB -0.447 38.450 39.000 -0.171 0.000 1.031 2007 F HN 0.755 nan 8.300 nan 0.000 0.500 2008 H N -2.302 116.821 119.070 0.089 0.000 2.657 2008 H HA 0.261 4.817 4.556 -0.000 0.000 0.262 2008 H C 1.920 177.259 175.328 0.018 0.000 0.965 2008 H CA 0.342 56.423 56.048 0.055 0.000 1.184 2008 H CB -0.139 29.630 29.762 0.012 0.000 1.443 2008 H HN -0.015 nan 8.280 nan 0.000 0.462 2009 L N -0.103 121.155 121.223 0.058 0.000 2.395 2009 L HA 0.148 4.488 4.340 -0.000 0.000 0.218 2009 L C 1.067 178.030 176.870 0.155 0.000 1.130 2009 L CA 0.775 55.670 54.840 0.092 0.000 0.826 2009 L CB -0.210 41.852 42.059 0.005 0.000 0.941 2009 L HN 0.566 nan 8.230 nan 0.000 0.451 2010 G N 1.105 109.885 108.800 -0.033 0.000 2.198 2010 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.257 2010 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.257 2010 G C -0.162 174.766 174.900 0.047 0.000 1.042 2010 G CA 0.052 45.095 45.100 -0.094 0.000 0.791 2010 G HN 0.244 nan 8.290 nan 0.000 0.502 2011 L N -0.148 121.084 121.223 0.016 0.000 2.333 2011 L HA 0.855 5.195 4.340 -0.000 0.000 0.263 2011 L C 0.774 177.636 176.870 -0.013 0.000 1.014 2011 L CA -0.554 54.298 54.840 0.019 0.000 0.820 2011 L CB 2.386 44.464 42.059 0.032 0.000 1.352 2011 L HN 0.362 nan 8.230 nan 0.000 0.421 2012 T N -3.249 111.299 114.554 -0.011 0.000 2.940 2012 T HA 0.306 4.655 4.350 -0.000 0.000 0.288 2012 T C 0.621 175.311 174.700 -0.016 0.000 1.045 2012 T CA -0.780 61.307 62.100 -0.022 0.000 1.018 2012 T CB 2.099 70.955 68.868 -0.021 0.000 1.151 2012 T HN 0.638 nan 8.240 nan 0.000 0.529 2013 K N 0.550 120.938 120.400 -0.021 0.000 2.057 2013 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 2013 K C 2.104 178.697 176.600 -0.012 0.000 1.049 2013 K CA 1.885 58.162 56.287 -0.016 0.000 0.931 2013 K CB -0.409 32.080 32.500 -0.018 0.000 0.714 2013 K HN 0.685 nan 8.250 nan 0.000 0.440 2014 N N 1.062 119.754 118.700 -0.013 0.000 2.149 2014 N HA -0.193 4.546 4.740 -0.000 0.000 0.188 2014 N C 1.184 176.689 175.510 -0.008 0.000 1.019 2014 N CA 1.905 54.949 53.050 -0.010 0.000 0.857 2014 N CB -0.144 38.336 38.487 -0.012 0.000 0.997 2014 N HN 0.207 nan 8.380 nan 0.000 0.426 2015 D N -0.355 120.042 120.400 -0.006 0.000 2.182 2015 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 2015 D C 1.541 177.842 176.300 0.002 0.000 0.986 2015 D CA 0.729 54.727 54.000 -0.003 0.000 0.847 2015 D CB -0.115 40.687 40.800 0.003 0.000 0.942 2015 D HN 0.307 nan 8.370 nan 0.000 0.467 2016 L N 0.347 121.570 121.223 0.000 0.000 2.395 2016 L HA 0.006 4.346 4.340 -0.000 0.000 0.218 2016 L C 0.760 177.629 176.870 -0.003 0.000 1.130 2016 L CA 0.616 55.456 54.840 0.000 0.000 0.826 2016 L CB -0.376 41.680 42.059 -0.006 0.000 0.941 2016 L HN 0.015 nan 8.230 nan 0.000 0.451 2017 Q N -0.187 119.610 119.800 -0.004 0.000 2.434 2017 Q HA -0.292 4.048 4.340 -0.000 0.000 0.299 2017 Q C 1.124 177.119 176.000 -0.008 0.000 1.286 2017 Q CA 0.405 56.205 55.803 -0.005 0.000 0.872 2017 Q CB -2.029 26.708 28.738 -0.002 0.000 1.193 2017 Q HN 0.633 nan 8.270 nan 0.000 0.466 2018 G N -2.101 106.692 108.800 -0.011 0.000 2.176 2018 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 2018 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 2018 G C 0.282 175.168 174.900 -0.022 0.000 0.979 2018 G CA 0.115 45.207 45.100 -0.015 0.000 0.641 2018 G HN 1.127 nan 8.290 nan 0.000 0.530 2019 A N -0.318 122.488 122.820 -0.024 0.000 2.531 2019 A HA 0.567 4.887 4.320 -0.000 0.000 0.236 2019 A C 1.043 178.592 177.584 -0.059 0.000 1.062 2019 A CA 1.390 53.405 52.037 -0.037 0.000 0.760 2019 A CB 0.227 19.207 19.000 -0.033 0.000 0.995 2019 A HN 0.569 nan 8.150 nan 0.000 0.501 2020 Q N 0.526 120.280 119.800 -0.077 0.000 2.140 2020 Q HA 0.329 4.669 4.340 -0.000 0.000 0.227 2020 Q C -0.669 175.228 176.000 -0.172 0.000 0.798 2020 Q CA 0.003 55.744 55.803 -0.103 0.000 0.987 2020 Q CB 0.766 29.462 28.738 -0.069 0.000 1.161 2020 Q HN 0.715 nan 8.270 nan 0.000 0.480 2021 L N 0.574 121.693 121.223 -0.172 0.000 2.408 2021 L HA 0.825 5.165 4.340 -0.000 0.000 0.268 2021 L C -1.776 174.961 176.870 -0.222 0.000 0.986 2021 L CA -0.636 54.069 54.840 -0.224 0.000 0.820 2021 L CB 1.761 43.739 42.059 -0.134 0.000 1.303 2021 L HN -0.073 nan 8.230 nan 0.000 0.411 2022 A N 5.494 128.121 122.820 -0.322 0.000 2.386 2022 A HA 0.755 5.075 4.320 -0.000 0.000 0.311 2022 A C -1.043 176.503 177.584 -0.062 0.000 1.068 2022 A CA -0.579 51.355 52.037 -0.172 0.000 0.743 2022 A CB 1.198 20.095 19.000 -0.172 0.000 1.258 2022 A HN 0.663 nan 8.150 nan 0.000 0.429 2023 I N 2.226 122.798 120.570 0.003 0.000 2.336 2023 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 2023 I C -0.314 175.848 176.117 0.076 0.000 0.991 2023 I CA -0.711 60.609 61.300 0.034 0.000 1.227 2023 I CB 1.843 39.846 38.000 0.006 0.000 1.366 2023 I HN 0.441 nan 8.210 nan 0.000 0.466 2024 V N 5.284 125.259 119.914 0.101 0.000 2.315 2024 V HA 0.467 4.587 4.120 -0.000 0.000 0.265 2024 V C -2.488 173.652 176.094 0.077 0.000 1.019 2024 V CA -1.636 60.734 62.300 0.118 0.000 0.824 2024 V CB 0.239 32.166 31.823 0.174 0.000 1.072 2024 V HN 0.484 nan 8.190 nan 0.000 0.448 2025 P HA 0.310 nan 4.420 nan 0.000 0.279 2025 P C 1.023 178.350 177.300 0.045 0.000 1.282 2025 P CA 0.321 63.440 63.100 0.032 0.000 0.788 2025 P CB 1.719 33.424 31.700 0.008 0.000 1.139 2026 G N -0.492 108.327 108.800 0.032 0.000 2.408 2026 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.215 2026 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.215 2026 G C 0.315 175.232 174.900 0.028 0.000 1.156 2026 G CA 0.314 45.435 45.100 0.035 0.000 0.793 2026 G HN 0.708 nan 8.290 nan 0.000 0.535 2027 D N -0.950 119.462 120.400 0.020 0.000 2.490 2027 D HA 0.304 4.944 4.640 -0.000 0.000 0.232 2027 D C -2.472 173.839 176.300 0.018 0.000 1.053 2027 D CA -1.730 52.278 54.000 0.013 0.000 0.914 2027 D CB 2.276 43.079 40.800 0.006 0.000 1.431 2027 D HN -0.157 nan 8.370 nan 0.000 0.483 2028 P HA -0.090 nan 4.420 nan 0.000 0.218 2028 P C 0.884 178.193 177.300 0.015 0.000 1.149 2028 P CA 1.214 64.346 63.100 0.053 0.000 0.817 2028 P CB 0.374 32.118 31.700 0.074 0.000 0.785 2029 E N -0.636 119.564 120.200 -0.000 0.000 2.077 2029 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 2029 E C 2.149 178.710 176.600 -0.065 0.000 0.989 2029 E CA 1.078 57.463 56.400 -0.025 0.000 0.800 2029 E CB -0.577 29.114 29.700 -0.016 0.000 0.746 2029 E HN 0.133 nan 8.360 nan 0.000 0.452 2030 R N 0.144 120.611 120.500 -0.055 0.000 2.115 2030 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 2030 R C 1.982 178.211 176.300 -0.119 0.000 1.100 2030 R CA 0.690 56.745 56.100 -0.075 0.000 0.980 2030 R CB -0.072 30.201 30.300 -0.046 0.000 0.875 2030 R HN 0.056 nan 8.270 nan 0.000 0.445 2031 V N 1.100 120.945 119.914 -0.114 0.000 2.287 2031 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 2031 V C 2.226 178.051 176.094 -0.449 0.000 1.053 2031 V CA 2.310 64.498 62.300 -0.186 0.000 1.027 2031 V CB -0.511 31.267 31.823 -0.075 0.000 0.646 2031 V HN 0.476 nan 8.190 nan 0.000 0.447 2032 E N 0.030 119.933 120.200 -0.496 0.000 2.077 2032 E HA -0.249 4.100 4.350 -0.000 0.000 0.193 2032 E C 2.252 178.541 176.600 -0.519 0.000 0.989 2032 E CA 1.372 57.308 56.400 -0.773 0.000 0.800 2032 E CB -0.039 29.415 29.700 -0.411 0.000 0.746 2032 E HN 0.595 nan 8.360 nan 0.000 0.452 2033 K N 0.062 120.286 120.400 -0.294 0.000 2.097 2033 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 2033 K C 2.163 178.648 176.600 -0.192 0.000 1.049 2033 K CA 1.373 57.541 56.287 -0.199 0.000 0.933 2033 K CB -0.102 32.320 32.500 -0.130 0.000 0.717 2033 K HN 0.228 nan 8.250 nan 0.000 0.442 2034 I N 1.072 121.521 120.570 -0.202 0.000 2.202 2034 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 2034 I C 2.547 178.559 176.117 -0.175 0.000 1.091 2034 I CA 1.040 62.247 61.300 -0.155 0.000 1.368 2034 I CB -0.399 37.527 38.000 -0.123 0.000 1.058 2034 I HN 0.123 nan 8.210 nan 0.000 0.410 2035 A N 0.848 123.494 122.820 -0.290 0.000 1.940 2035 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 2035 A C 2.500 179.978 177.584 -0.177 0.000 1.176 2035 A CA 1.842 53.728 52.037 -0.252 0.000 0.631 2035 A CB -0.866 17.846 19.000 -0.481 0.000 0.814 2035 A HN 0.440 nan 8.150 nan 0.000 0.446 2036 A N -0.520 122.161 122.820 -0.232 0.000 2.070 2036 A HA 0.023 4.343 4.320 -0.000 0.000 0.220 2036 A C 1.942 179.485 177.584 -0.069 0.000 1.159 2036 A CA 1.277 53.237 52.037 -0.128 0.000 0.656 2036 A CB -0.500 18.420 19.000 -0.134 0.000 0.800 2036 A HN 0.495 nan 8.150 nan 0.000 0.453 2037 L N -1.531 119.648 121.223 -0.073 0.000 2.492 2037 L HA 0.109 4.448 4.340 -0.000 0.000 0.223 2037 L C 1.101 177.954 176.870 -0.027 0.000 1.132 2037 L CA 0.114 54.927 54.840 -0.045 0.000 0.850 2037 L CB -0.312 41.719 42.059 -0.046 0.000 0.966 2037 L HN 0.437 nan 8.230 nan 0.000 0.454 2038 M N -1.388 118.198 119.600 -0.023 0.000 2.792 2038 M HA 0.285 4.764 4.480 -0.000 0.000 0.294 2038 M C -0.629 175.678 176.300 0.012 0.000 1.215 2038 M CA -0.813 54.485 55.300 -0.005 0.000 0.883 2038 M CB 1.243 33.842 32.600 -0.002 0.000 1.620 2038 M HN -0.195 nan 8.290 nan 0.000 0.511 2039 D N 1.127 121.537 120.400 0.018 0.000 2.264 2039 D HA 0.182 4.821 4.640 -0.000 0.000 0.249 2039 D C -0.437 175.888 176.300 0.042 0.000 1.070 2039 D CA 0.054 54.069 54.000 0.025 0.000 0.912 2039 D CB 0.734 41.544 40.800 0.017 0.000 1.193 2039 D HN 0.419 nan 8.370 nan 0.000 0.427 2040 K N -0.485 119.943 120.400 0.046 0.000 3.278 2040 K HA -0.157 4.163 4.320 -0.000 0.000 0.270 2040 K C -2.384 174.273 176.600 0.094 0.000 0.955 2040 K CA 0.010 56.331 56.287 0.058 0.000 0.723 2040 K CB -1.456 31.069 32.500 0.041 0.000 1.382 2040 K HN 0.305 nan 8.250 nan 0.000 0.461 2041 P HA 0.155 nan 4.420 nan 0.000 0.271 2041 P C -0.446 177.027 177.300 0.287 0.000 1.220 2041 P CA -0.225 63.033 63.100 0.263 0.000 0.768 2041 P CB 1.172 33.049 31.700 0.294 0.000 0.848 2042 V N 3.719 123.785 119.914 0.253 0.000 2.623 2042 V HA 0.277 4.397 4.120 -0.000 0.000 0.304 2042 V C 0.171 176.057 176.094 -0.348 0.000 1.054 2042 V CA -0.871 61.406 62.300 -0.039 0.000 0.882 2042 V CB 2.013 33.815 31.823 -0.036 0.000 1.002 2042 V HN 0.433 nan 8.190 nan 0.000 0.424 2043 K N 3.583 123.379 120.400 -1.007 0.000 2.339 2043 K HA 0.430 4.750 4.320 -0.000 0.000 0.286 2043 K C 0.298 176.542 176.600 -0.594 0.000 1.050 2043 K CA -0.206 55.221 56.287 -1.433 0.000 0.956 2043 K CB 0.789 32.310 32.500 -1.632 0.000 0.990 2043 K HN 0.658 nan 8.250 nan 0.000 0.475 2044 L N 2.705 123.697 121.223 -0.386 0.000 2.362 2044 L HA 0.332 4.672 4.340 -0.000 0.000 0.204 2044 L C 0.468 177.273 176.870 -0.108 0.000 1.060 2044 L CA 0.088 54.830 54.840 -0.163 0.000 0.827 2044 L CB 0.357 42.385 42.059 -0.052 0.000 1.027 2044 L HN 0.740 nan 8.230 nan 0.000 0.474 2045 A N -1.127 121.637 122.820 -0.093 0.000 2.597 2045 A HA 0.621 4.941 4.320 -0.000 0.000 0.292 2045 A C -1.191 176.345 177.584 -0.081 0.000 1.057 2045 A CA -0.300 51.707 52.037 -0.050 0.000 0.674 2045 A CB 1.676 20.753 19.000 0.130 0.000 1.278 2045 A HN -0.161 nan 8.150 nan 0.000 0.416 2046 S N 0.698 116.229 115.700 -0.282 0.000 2.750 2046 S HA 0.629 5.098 4.470 -0.000 0.000 0.276 2046 S C -1.789 172.539 174.600 -0.452 0.000 1.165 2046 S CA -0.459 57.620 58.200 -0.202 0.000 1.047 2046 S CB 0.307 63.434 63.200 -0.121 0.000 1.056 2046 S HN 0.712 nan 8.310 nan 0.000 0.481 2047 H N 4.114 123.269 119.070 0.141 0.000 2.840 2047 H HA 0.498 5.054 4.556 -0.000 0.000 0.340 2047 H C 0.590 176.006 175.328 0.147 0.000 1.004 2047 H CA -0.538 55.599 56.048 0.149 0.000 1.288 2047 H CB 1.391 31.268 29.762 0.191 0.000 1.607 2047 H HN 0.747 nan 8.280 nan 0.000 0.522 2048 R N 0.964 121.556 120.500 0.153 0.000 3.750 2048 R HA -0.308 4.032 4.340 -0.000 0.000 0.495 2048 R C 0.732 176.944 176.300 -0.146 0.000 0.241 2048 R CA 1.672 57.776 56.100 0.007 0.000 1.551 2048 R CB -0.757 29.561 30.300 0.030 0.000 0.956 2048 R HN 0.560 nan 8.270 nan 0.000 0.584 2049 E N 0.634 120.556 120.200 -0.464 0.000 2.472 2049 E HA 0.012 4.362 4.350 -0.000 0.000 0.200 2049 E C -0.146 176.167 176.600 -0.478 0.000 1.046 2049 E CA 0.812 56.870 56.400 -0.569 0.000 0.871 2049 E CB -0.017 29.199 29.700 -0.806 0.000 0.806 2049 E HN 0.193 nan 8.360 nan 0.000 0.533 2050 F N 0.364 120.378 119.950 0.106 0.000 2.293 2050 F HA 0.306 4.833 4.527 -0.000 0.000 0.370 2050 F C 0.021 175.895 175.800 0.123 0.000 1.090 2050 F CA -0.822 57.249 58.000 0.120 0.000 1.133 2050 F CB 1.212 40.300 39.000 0.146 0.000 1.360 2050 F HN -0.359 nan 8.300 nan 0.000 0.489 2051 T N 1.899 116.603 114.554 0.250 0.000 2.749 2051 T HA 0.455 4.805 4.350 -0.000 0.000 0.287 2051 T C -0.181 174.690 174.700 0.284 0.000 0.970 2051 T CA -0.755 61.477 62.100 0.220 0.000 0.980 2051 T CB 1.079 70.065 68.868 0.197 0.000 0.924 2051 T HN 0.518 nan 8.240 nan 0.000 0.456 2052 S N 2.202 118.054 115.700 0.254 0.000 2.513 2052 S HA 0.795 5.265 4.470 -0.000 0.000 0.299 2052 S C -1.513 173.258 174.600 0.285 0.000 1.087 2052 S CA -1.029 57.336 58.200 0.275 0.000 1.012 2052 S CB 1.295 64.605 63.200 0.184 0.000 1.044 2052 S HN 0.648 nan 8.310 nan 0.000 0.485 2053 W N 0.882 122.205 121.300 0.038 0.000 2.882 2053 W HA 0.676 5.336 4.660 -0.000 0.000 0.345 2053 W C 0.245 176.774 176.519 0.017 0.000 1.125 2053 W CA -0.906 56.453 57.345 0.024 0.000 1.167 2053 W CB 1.719 31.189 29.460 0.018 0.000 1.431 2053 W HN 0.767 nan 8.180 nan 0.000 0.543 2054 R N 1.379 122.018 120.500 0.232 0.000 2.664 2054 R HA 0.902 5.241 4.340 -0.000 0.000 0.286 2054 R C -0.650 175.749 176.300 0.165 0.000 0.967 2054 R CA -0.326 55.860 56.100 0.144 0.000 0.933 2054 R CB 1.511 31.852 30.300 0.069 0.000 1.146 2054 R HN 0.661 nan 8.270 nan 0.000 0.468 2055 A N 2.408 125.291 122.820 0.106 0.000 2.515 2055 A HA 0.516 4.836 4.320 -0.000 0.000 0.299 2055 A C -1.682 175.930 177.584 0.046 0.000 1.179 2055 A CA -0.778 51.312 52.037 0.087 0.000 0.656 2055 A CB 1.647 20.699 19.000 0.086 0.000 1.306 2055 A HN 0.715 nan 8.150 nan 0.000 0.459 2056 E N -0.316 119.904 120.200 0.033 0.000 2.292 2056 E HA 0.610 4.960 4.350 -0.000 0.000 0.272 2056 E C -1.807 174.798 176.600 0.009 0.000 0.881 2056 E CA -0.453 55.957 56.400 0.017 0.000 0.754 2056 E CB 2.445 32.155 29.700 0.016 0.000 1.201 2056 E HN 0.463 nan 8.360 nan 0.000 0.425 2057 L N 2.730 123.953 121.223 0.001 0.000 2.376 2057 L HA 0.316 4.656 4.340 -0.000 0.000 0.275 2057 L C -0.792 176.075 176.870 -0.005 0.000 0.987 2057 L CA -0.658 54.180 54.840 -0.004 0.000 0.828 2057 L CB 1.504 43.557 42.059 -0.010 0.000 1.249 2057 L HN 0.575 nan 8.230 nan 0.000 0.409 2058 D N 3.124 123.521 120.400 -0.004 0.000 2.751 2058 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 2058 D C 1.158 177.456 176.300 -0.003 0.000 1.149 2058 D CA 1.645 55.642 54.000 -0.004 0.000 0.682 2058 D CB -0.874 39.922 40.800 -0.006 0.000 1.068 2058 D HN 1.090 nan 8.370 nan 0.000 0.429 2059 G N -0.946 107.854 108.800 -0.001 0.000 2.162 2059 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.260 2059 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.260 2059 G C 0.241 175.140 174.900 -0.002 0.000 0.976 2059 G CA 0.757 45.857 45.100 -0.000 0.000 0.655 2059 G HN 0.507 nan 8.290 nan 0.000 0.533 2060 K N 0.389 120.786 120.400 -0.004 0.000 2.221 2060 K HA 0.717 5.037 4.320 -0.000 0.000 0.258 2060 K C 0.472 177.068 176.600 -0.005 0.000 0.944 2060 K CA -0.173 56.109 56.287 -0.007 0.000 0.823 2060 K CB 1.991 34.484 32.500 -0.012 0.000 1.113 2060 K HN 0.461 nan 8.250 nan 0.000 0.431 2061 A N 2.222 125.038 122.820 -0.006 0.000 2.462 2061 A HA 0.363 4.683 4.320 -0.000 0.000 0.243 2061 A C -0.266 177.312 177.584 -0.010 0.000 1.076 2061 A CA -0.173 51.863 52.037 -0.001 0.000 0.773 2061 A CB 0.324 19.324 19.000 -0.001 0.000 1.010 2061 A HN 0.424 nan 8.150 nan 0.000 0.493 2062 V N 3.590 123.504 119.914 -0.001 0.000 2.841 2062 V HA 0.386 4.506 4.120 -0.000 0.000 0.310 2062 V C -0.553 175.548 176.094 0.013 0.000 1.090 2062 V CA -0.672 61.621 62.300 -0.011 0.000 0.930 2062 V CB 1.913 33.728 31.823 -0.012 0.000 1.014 2062 V HN 0.756 nan 8.190 nan 0.000 0.425 2063 I N 3.525 124.095 120.570 0.000 0.000 2.460 2063 I HA 0.557 4.727 4.170 -0.000 0.000 0.298 2063 I C -0.311 175.838 176.117 0.052 0.000 0.989 2063 I CA -0.590 60.735 61.300 0.041 0.000 1.173 2063 I CB 1.931 39.947 38.000 0.027 0.000 1.338 2063 I HN 0.267 nan 8.210 nan 0.000 0.456 2064 V N 4.772 124.749 119.914 0.105 0.000 2.487 2064 V HA 0.467 4.586 4.120 -0.000 0.000 0.298 2064 V C -0.475 175.710 176.094 0.152 0.000 1.028 2064 V CA -0.497 61.858 62.300 0.092 0.000 0.860 2064 V CB 2.094 33.938 31.823 0.035 0.000 0.991 2064 V HN 0.906 nan 8.190 nan 0.000 0.427 2065 C N 4.682 124.068 119.300 0.144 0.000 2.608 2065 C HA 0.702 5.162 4.460 -0.000 0.000 0.325 2065 C C 0.493 175.593 174.990 0.183 0.000 1.147 2065 C CA -0.348 58.784 59.018 0.189 0.000 1.359 2065 C CB 1.281 29.135 27.740 0.191 0.000 1.912 2065 C HN 1.074 nan 8.230 nan 0.000 0.466 2066 S N 3.200 119.019 115.700 0.198 0.000 2.585 2066 S HA 0.362 4.832 4.470 -0.000 0.000 0.273 2066 S C 0.925 175.674 174.600 0.248 0.000 1.339 2066 S CA 0.429 58.728 58.200 0.165 0.000 1.028 2066 S CB 1.283 64.550 63.200 0.111 0.000 0.906 2066 S HN 1.064 nan 8.310 nan 0.000 0.528 2067 T N -1.355 113.306 114.554 0.178 0.000 3.014 2067 T HA 0.524 4.874 4.350 -0.000 0.000 0.250 2067 T C 1.230 176.005 174.700 0.126 0.000 1.060 2067 T CA 0.347 62.584 62.100 0.228 0.000 1.040 2067 T CB -0.898 68.050 68.868 0.134 0.000 0.971 2067 T HN 1.887 nan 8.240 nan 0.000 0.497 2068 G N 1.660 110.461 108.800 0.001 0.000 2.693 2068 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.226 2068 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.226 2068 G C -0.617 174.279 174.900 -0.006 0.000 1.354 2068 G CA -0.405 44.655 45.100 -0.068 0.000 0.873 2068 G HN 0.656 nan 8.290 nan 0.000 0.562 2069 I N 2.259 122.821 120.570 -0.013 0.000 2.315 2069 I HA 0.561 4.731 4.170 -0.000 0.000 0.291 2069 I C 1.014 177.145 176.117 0.024 0.000 1.006 2069 I CA 0.765 62.077 61.300 0.020 0.000 1.265 2069 I CB 0.695 38.707 38.000 0.021 0.000 1.387 2069 I HN 2.021 nan 8.210 nan 0.000 0.475 2070 G N 3.917 112.737 108.800 0.033 0.000 2.662 2070 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.686 2070 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.686 2070 G C 0.586 175.497 174.900 0.017 0.000 1.271 2070 G CA -0.448 44.667 45.100 0.025 0.000 0.816 2070 G HN 0.914 nan 8.290 nan 0.000 0.608 2071 G N 0.168 108.971 108.800 0.006 0.000 2.440 2071 G HA2 0.038 3.998 3.960 -0.000 0.000 0.218 2071 G HA3 0.038 3.998 3.960 -0.000 0.000 0.218 2071 G C 0.126 175.031 174.900 0.007 0.000 1.154 2071 G CA 2.238 47.339 45.100 0.001 0.000 0.767 2071 G HN 0.697 nan 8.290 nan 0.000 0.552 2072 P HA -0.101 nan 4.420 nan 0.000 0.214 2072 P C 2.491 179.810 177.300 0.033 0.000 1.162 2072 P CA 2.330 65.424 63.100 -0.010 0.000 0.879 2072 P CB -0.224 31.462 31.700 -0.024 0.000 0.786 2073 S N -1.753 113.982 115.700 0.059 0.000 2.368 2073 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 2073 S C 1.964 176.687 174.600 0.207 0.000 1.029 2073 S CA 1.883 60.175 58.200 0.153 0.000 0.988 2073 S CB -2.058 61.188 63.200 0.077 0.000 0.838 2073 S HN 0.079 nan 8.310 nan 0.000 0.462 2074 T N 3.058 117.678 114.554 0.109 0.000 2.699 2074 T HA -0.139 4.210 4.350 -0.000 0.000 0.268 2074 T C 2.320 177.019 174.700 -0.002 0.000 1.036 2074 T CA 1.936 64.074 62.100 0.063 0.000 1.147 2074 T CB -0.810 68.064 68.868 0.009 0.000 0.862 2074 T HN 0.804 nan 8.240 nan 0.000 0.446 2075 S N 1.141 116.846 115.700 0.008 0.000 2.399 2075 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 2075 S C 2.064 176.657 174.600 -0.011 0.000 1.022 2075 S CA 0.759 58.968 58.200 0.014 0.000 0.983 2075 S CB -0.723 62.581 63.200 0.173 0.000 0.803 2075 S HN 0.523 nan 8.310 nan 0.000 0.480 2076 I N 2.137 122.684 120.570 -0.040 0.000 2.193 2076 I HA -0.081 4.089 4.170 -0.000 0.000 0.240 2076 I C 3.142 179.108 176.117 -0.252 0.000 1.084 2076 I CA 1.048 62.249 61.300 -0.164 0.000 1.365 2076 I CB -0.769 37.045 38.000 -0.311 0.000 1.064 2076 I HN 0.422 nan 8.210 nan 0.000 0.410 2077 A N 0.581 123.239 122.820 -0.269 0.000 1.883 2077 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 2077 A C 2.421 179.942 177.584 -0.105 0.000 1.186 2077 A CA 2.056 53.943 52.037 -0.250 0.000 0.624 2077 A CB -1.036 17.960 19.000 -0.007 0.000 0.822 2077 A HN 0.254 nan 8.150 nan 0.000 0.444 2078 V N 0.032 119.852 119.914 -0.155 0.000 2.307 2078 V HA -0.222 3.897 4.120 -0.000 0.000 0.245 2078 V C 2.610 178.587 176.094 -0.194 0.000 1.045 2078 V CA 2.373 64.472 62.300 -0.335 0.000 1.024 2078 V CB -0.765 30.672 31.823 -0.642 0.000 0.651 2078 V HN 0.751 nan 8.190 nan 0.000 0.449 2079 E N 1.003 121.129 120.200 -0.123 0.000 2.058 2079 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 2079 E C 2.081 178.694 176.600 0.022 0.000 0.997 2079 E CA 2.006 58.393 56.400 -0.023 0.000 0.801 2079 E CB -0.307 29.415 29.700 0.036 0.000 0.746 2079 E HN 0.675 nan 8.360 nan 0.000 0.450 2080 E N -0.201 119.997 120.200 -0.003 0.000 2.106 2080 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 2080 E C 2.267 178.890 176.600 0.039 0.000 0.984 2080 E CA 0.959 57.364 56.400 0.007 0.000 0.806 2080 E CB -0.125 29.555 29.700 -0.034 0.000 0.750 2080 E HN 0.307 nan 8.360 nan 0.000 0.458 2081 L N 0.593 121.869 121.223 0.088 0.000 2.093 2081 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 2081 L C 2.565 179.546 176.870 0.185 0.000 1.085 2081 L CA 0.896 55.831 54.840 0.158 0.000 0.755 2081 L CB -0.401 41.835 42.059 0.295 0.000 0.904 2081 L HN 0.137 nan 8.230 nan 0.000 0.435 2082 A N -0.513 122.464 122.820 0.263 0.000 1.902 2082 A HA -0.255 4.064 4.320 -0.000 0.000 0.217 2082 A C 2.211 179.852 177.584 0.096 0.000 1.181 2082 A CA 1.506 53.669 52.037 0.211 0.000 0.623 2082 A CB -0.463 18.649 19.000 0.188 0.000 0.818 2082 A HN 0.468 nan 8.150 nan 0.000 0.443 2083 Q N -0.669 119.171 119.800 0.067 0.000 2.181 2083 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 2083 Q C 1.670 177.679 176.000 0.016 0.000 0.980 2083 Q CA 1.255 57.077 55.803 0.031 0.000 0.862 2083 Q CB -0.266 28.479 28.738 0.012 0.000 0.905 2083 Q HN 0.690 nan 8.270 nan 0.000 0.429 2084 L N -1.563 119.672 121.223 0.021 0.000 2.558 2084 L HA 0.130 4.470 4.340 -0.000 0.000 0.225 2084 L C 1.212 178.083 176.870 0.002 0.000 1.128 2084 L CA 0.549 55.392 54.840 0.005 0.000 0.868 2084 L CB 0.322 42.384 42.059 0.005 0.000 1.006 2084 L HN 0.410 nan 8.230 nan 0.000 0.454 2085 G N -0.531 108.275 108.800 0.009 0.000 2.227 2085 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.168 2085 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.168 2085 G C 0.218 175.100 174.900 -0.031 0.000 1.006 2085 G CA -0.729 44.368 45.100 -0.005 0.000 0.684 2085 G HN 0.030 nan 8.290 nan 0.000 0.489 2086 I N 1.332 121.872 120.570 -0.051 0.000 2.618 2086 I HA 0.302 4.471 4.170 -0.000 0.000 0.284 2086 I C 1.275 177.302 176.117 -0.150 0.000 1.146 2086 I CA 0.319 61.503 61.300 -0.193 0.000 1.425 2086 I CB 0.965 38.733 38.000 -0.386 0.000 1.383 2086 I HN 0.099 nan 8.210 nan 0.000 0.562 2087 R N 2.977 123.361 120.500 -0.193 0.000 2.469 2087 R HA 0.205 4.545 4.340 -0.000 0.000 0.250 2087 R C -0.235 176.033 176.300 -0.053 0.000 0.909 2087 R CA 0.181 56.255 56.100 -0.043 0.000 1.050 2087 R CB 0.636 30.927 30.300 -0.015 0.000 1.256 2087 R HN 0.540 nan 8.270 nan 0.000 0.550 2088 T N 1.048 115.440 114.554 -0.269 0.000 2.881 2088 T HA 0.598 4.948 4.350 -0.000 0.000 0.290 2088 T C -1.104 173.359 174.700 -0.394 0.000 1.000 2088 T CA -0.287 61.714 62.100 -0.165 0.000 0.978 2088 T CB 1.425 70.231 68.868 -0.104 0.000 0.997 2088 T HN -0.165 nan 8.240 nan 0.000 0.443 2089 F N 2.453 122.395 119.950 -0.014 0.000 2.518 2089 F HA 0.603 5.130 4.527 -0.000 0.000 0.323 2089 F C -0.418 175.373 175.800 -0.016 0.000 1.129 2089 F CA -1.034 56.956 58.000 -0.015 0.000 0.920 2089 F CB 1.464 40.450 39.000 -0.023 0.000 1.160 2089 F HN 0.210 nan 8.300 nan 0.000 0.440 2090 L N 4.019 125.319 121.223 0.128 0.000 2.325 2090 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 2090 L C -0.259 176.655 176.870 0.074 0.000 1.004 2090 L CA -0.753 54.131 54.840 0.074 0.000 0.823 2090 L CB 2.072 44.145 42.059 0.024 0.000 1.236 2090 L HN 0.592 nan 8.230 nan 0.000 0.415 2091 R N 3.926 124.460 120.500 0.057 0.000 2.428 2091 R HA 0.611 4.951 4.340 -0.000 0.000 0.294 2091 R C -1.109 175.201 176.300 0.017 0.000 1.000 2091 R CA -0.524 55.600 56.100 0.039 0.000 0.960 2091 R CB 1.597 31.915 30.300 0.029 0.000 1.076 2091 R HN 0.557 nan 8.270 nan 0.000 0.475 2092 I N 3.321 123.897 120.570 0.008 0.000 2.545 2092 I HA 0.645 4.815 4.170 -0.000 0.000 0.292 2092 I C -0.891 175.220 176.117 -0.010 0.000 1.040 2092 I CA -0.215 61.080 61.300 -0.007 0.000 1.068 2092 I CB 1.689 39.678 38.000 -0.020 0.000 1.251 2092 I HN 0.866 nan 8.210 nan 0.000 0.424 2093 G N 4.240 113.030 108.800 -0.016 0.000 2.766 2093 G HA2 0.707 4.667 3.960 -0.000 0.000 0.288 2093 G HA3 0.707 4.667 3.960 -0.000 0.000 0.288 2093 G C -1.309 173.575 174.900 -0.027 0.000 1.408 2093 G CA -0.445 44.646 45.100 -0.016 0.000 0.852 2093 G HN 0.644 nan 8.290 nan 0.000 0.487 2094 T N -1.793 112.748 114.554 -0.023 0.000 2.841 2094 T HA 0.782 5.132 4.350 -0.000 0.000 0.283 2094 T C -0.102 174.589 174.700 -0.015 0.000 1.000 2094 T CA -0.294 61.791 62.100 -0.025 0.000 0.977 2094 T CB 1.659 70.508 68.868 -0.031 0.000 0.979 2094 T HN 1.258 nan 8.240 nan 0.000 0.446 2095 T N -0.572 113.974 114.554 -0.013 0.000 2.787 2095 T HA 0.815 5.165 4.350 -0.000 0.000 0.297 2095 T C 0.411 175.103 174.700 -0.013 0.000 1.221 2095 T CA -0.574 61.516 62.100 -0.016 0.000 1.006 2095 T CB 1.330 70.191 68.868 -0.012 0.000 1.328 2095 T HN 0.960 nan 8.240 nan 0.000 0.509 2096 G N -0.465 108.325 108.800 -0.017 0.000 2.557 2096 G HA2 0.697 4.657 3.960 -0.000 0.000 0.292 2096 G HA3 0.697 4.657 3.960 -0.000 0.000 0.292 2096 G C -0.447 174.446 174.900 -0.011 0.000 1.237 2096 G CA -0.478 44.614 45.100 -0.014 0.000 0.978 2096 G HN 1.214 nan 8.290 nan 0.000 0.498 2097 A N -1.059 121.747 122.820 -0.022 0.000 2.469 2097 A HA 0.655 4.975 4.320 -0.000 0.000 0.299 2097 A C 0.234 177.798 177.584 -0.032 0.000 1.098 2097 A CA -0.545 51.463 52.037 -0.047 0.000 0.737 2097 A CB 1.305 20.243 19.000 -0.103 0.000 1.312 2097 A HN 1.236 nan 8.150 nan 0.000 0.414 2098 I N -2.651 117.897 120.570 -0.035 0.000 4.050 2098 I HA 0.321 4.491 4.170 -0.000 0.000 0.327 2098 I C -0.492 175.598 176.117 -0.045 0.000 1.473 2098 I CA -0.197 61.104 61.300 0.002 0.000 1.124 2098 I CB 0.418 38.476 38.000 0.096 0.000 1.129 2098 I HN 0.277 nan 8.210 nan 0.000 0.428 2099 Q N 1.914 121.625 119.800 -0.149 0.000 2.312 2099 Q HA 0.419 4.758 4.340 -0.000 0.000 0.263 2099 Q C -2.025 173.816 176.000 -0.266 0.000 0.995 2099 Q CA -1.994 53.672 55.803 -0.229 0.000 0.853 2099 Q CB 2.107 30.574 28.738 -0.452 0.000 1.300 2099 Q HN -0.025 nan 8.270 nan 0.000 0.448 2100 P HA -0.141 nan 4.420 nan 0.000 0.220 2100 P C 0.784 178.052 177.300 -0.054 0.000 1.148 2100 P CA 1.344 64.411 63.100 -0.055 0.000 0.803 2100 P CB 0.108 31.823 31.700 0.024 0.000 0.782 2101 H N -1.815 117.235 119.070 -0.033 0.000 2.547 2101 H HA 0.191 4.747 4.556 -0.000 0.000 0.266 2101 H C 0.393 175.688 175.328 -0.056 0.000 0.988 2101 H CA -0.124 55.912 56.048 -0.020 0.000 1.147 2101 H CB -0.499 29.265 29.762 0.003 0.000 1.365 2101 H HN 0.144 nan 8.280 nan 0.000 0.589 2102 I N 3.093 123.401 120.570 -0.437 0.000 2.325 2102 I HA 0.065 4.235 4.170 -0.000 0.000 0.291 2102 I C -0.323 175.730 176.117 -0.107 0.000 1.019 2102 I CA -0.495 60.587 61.300 -0.364 0.000 1.302 2102 I CB 0.884 38.562 38.000 -0.537 0.000 1.401 2102 I HN 0.085 nan 8.210 nan 0.000 0.485 2103 N N 5.536 124.249 118.700 0.022 0.000 2.473 2103 N HA 0.262 5.002 4.740 -0.000 0.000 0.291 2103 N C -0.442 175.092 175.510 0.041 0.000 1.083 2103 N CA -0.561 52.511 53.050 0.036 0.000 0.951 2103 N CB 2.098 40.622 38.487 0.063 0.000 1.164 2103 N HN 0.180 nan 8.380 nan 0.000 0.480 2104 V N 1.344 121.275 119.914 0.028 0.000 2.681 2104 V HA 0.126 4.246 4.120 -0.000 0.000 0.306 2104 V C 1.586 177.717 176.094 0.061 0.000 1.077 2104 V CA 1.590 63.915 62.300 0.040 0.000 1.224 2104 V CB -0.032 31.809 31.823 0.030 0.000 0.879 2104 V HN 1.068 nan 8.190 nan 0.000 0.494 2105 G N 3.575 112.435 108.800 0.100 0.000 2.232 2105 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 2105 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 2105 G C -0.026 174.929 174.900 0.091 0.000 0.996 2105 G CA 0.042 45.221 45.100 0.133 0.000 0.626 2105 G HN 0.676 nan 8.290 nan 0.000 0.509 2106 D N 0.069 120.528 120.400 0.099 0.000 2.361 2106 D HA 0.505 5.145 4.640 -0.000 0.000 0.239 2106 D C 0.474 176.873 176.300 0.165 0.000 1.200 2106 D CA 0.110 54.179 54.000 0.115 0.000 0.915 2106 D CB 1.591 42.526 40.800 0.225 0.000 1.170 2106 D HN 0.219 nan 8.370 nan 0.000 0.444 2107 V N 1.547 121.546 119.914 0.142 0.000 2.495 2107 V HA 0.351 4.470 4.120 -0.000 0.000 0.298 2107 V C -0.134 176.039 176.094 0.131 0.000 1.031 2107 V CA -0.739 61.649 62.300 0.146 0.000 0.871 2107 V CB 1.437 33.330 31.823 0.116 0.000 0.988 2107 V HN 0.263 nan 8.190 nan 0.000 0.432 2108 L N 5.256 126.542 121.223 0.104 0.000 2.296 2108 L HA 0.647 4.987 4.340 -0.000 0.000 0.286 2108 L C -0.668 176.231 176.870 0.049 0.000 1.023 2108 L CA -0.780 54.113 54.840 0.088 0.000 0.812 2108 L CB 1.808 43.901 42.059 0.056 0.000 1.223 2108 L HN 0.308 nan 8.230 nan 0.000 0.421 2109 V N 1.887 121.827 119.914 0.044 0.000 2.370 2109 V HA 0.294 4.413 4.120 -0.000 0.000 0.283 2109 V C 0.258 176.360 176.094 0.013 0.000 1.023 2109 V CA -0.386 61.925 62.300 0.018 0.000 0.857 2109 V CB 1.798 33.624 31.823 0.006 0.000 0.985 2109 V HN 0.740 nan 8.190 nan 0.000 0.443 2110 T N 3.451 118.005 114.554 -0.000 0.000 2.743 2110 T HA 0.184 4.534 4.350 -0.000 0.000 0.293 2110 T C 1.351 176.047 174.700 -0.005 0.000 0.945 2110 T CA 0.191 62.285 62.100 -0.010 0.000 1.030 2110 T CB 1.142 69.994 68.868 -0.026 0.000 0.912 2110 T HN 0.965 nan 8.240 nan 0.000 0.483 2111 T N 0.767 115.321 114.554 -0.001 0.000 2.942 2111 T HA 0.444 4.794 4.350 -0.000 0.000 0.265 2111 T C 0.727 175.427 174.700 -0.000 0.000 1.062 2111 T CA 0.302 62.409 62.100 0.010 0.000 1.139 2111 T CB 0.142 69.023 68.868 0.021 0.000 0.883 2111 T HN 0.767 nan 8.240 nan 0.000 0.468 2112 A N -0.066 122.741 122.820 -0.021 0.000 2.597 2112 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 2112 A C -0.996 176.549 177.584 -0.066 0.000 1.057 2112 A CA -0.862 51.155 52.037 -0.033 0.000 0.674 2112 A CB 1.111 20.091 19.000 -0.033 0.000 1.278 2112 A HN 0.204 nan 8.150 nan 0.000 0.416 2113 S N -0.264 115.390 115.700 -0.076 0.000 2.532 2113 S HA 0.609 5.079 4.470 -0.000 0.000 0.301 2113 S C -0.290 174.216 174.600 -0.157 0.000 1.083 2113 S CA -0.586 57.537 58.200 -0.127 0.000 1.025 2113 S CB 1.692 64.825 63.200 -0.112 0.000 1.056 2113 S HN 0.926 nan 8.310 nan 0.000 0.494 2114 V N 3.145 122.898 119.914 -0.268 0.000 2.479 2114 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 2114 V C 0.610 176.555 176.094 -0.248 0.000 1.031 2114 V CA -0.005 62.093 62.300 -0.336 0.000 1.038 2114 V CB -0.131 31.268 31.823 -0.706 0.000 0.981 2114 V HN 0.692 nan 8.190 nan 0.000 0.478 2115 R N 5.376 125.795 120.500 -0.135 0.000 2.891 2115 R HA 0.327 4.667 4.340 -0.000 0.000 0.248 2115 R C 0.064 176.340 176.300 -0.040 0.000 1.439 2115 R CA -0.127 55.937 56.100 -0.060 0.000 1.288 2115 R CB 0.057 30.360 30.300 0.005 0.000 1.212 2115 R HN 0.680 nan 8.270 nan 0.000 0.605 2116 L N 1.580 122.766 121.223 -0.063 0.000 2.872 2116 L HA 0.131 4.471 4.340 -0.000 0.000 0.245 2116 L C 0.340 177.215 176.870 0.008 0.000 1.211 2116 L CA -0.272 54.563 54.840 -0.008 0.000 1.013 2116 L CB -0.444 41.610 42.059 -0.008 0.000 1.326 2116 L HN 0.478 nan 8.230 nan 0.000 0.525 2117 D N -0.981 119.422 120.400 0.005 0.000 2.494 2117 D HA 0.261 4.900 4.640 -0.000 0.000 0.259 2117 D C 0.883 177.198 176.300 0.024 0.000 1.109 2117 D CA -0.286 53.719 54.000 0.008 0.000 1.040 2117 D CB 1.771 42.571 40.800 0.001 0.000 1.175 2117 D HN -0.075 nan 8.370 nan 0.000 0.584 2118 G N -1.127 107.680 108.800 0.011 0.000 2.651 2118 G HA2 0.184 4.144 3.960 -0.000 0.000 0.207 2118 G HA3 0.184 4.144 3.960 -0.000 0.000 0.207 2118 G C 1.341 176.234 174.900 -0.012 0.000 1.131 2118 G CA 0.598 45.711 45.100 0.021 0.000 0.816 2118 G HN 0.603 nan 8.290 nan 0.000 0.534 2119 A N 1.682 124.453 122.820 -0.082 0.000 1.969 2119 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 2119 A C 2.667 180.306 177.584 0.093 0.000 1.169 2119 A CA 2.270 54.206 52.037 -0.168 0.000 0.635 2119 A CB -0.646 18.304 19.000 -0.084 0.000 0.810 2119 A HN 0.688 nan 8.150 nan 0.000 0.445 2120 S N 0.315 116.100 115.700 0.143 0.000 2.400 2120 S HA -0.134 4.336 4.470 -0.000 0.000 0.232 2120 S C 1.719 176.462 174.600 0.238 0.000 1.025 2120 S CA 1.494 59.831 58.200 0.228 0.000 0.993 2120 S CB -0.774 62.498 63.200 0.121 0.000 0.808 2120 S HN 0.454 nan 8.310 nan 0.000 0.478 2121 L N 0.765 122.097 121.223 0.182 0.000 2.362 2121 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 2121 L C 2.369 179.305 176.870 0.109 0.000 1.134 2121 L CA 1.096 56.024 54.840 0.147 0.000 0.807 2121 L CB -0.690 41.452 42.059 0.139 0.000 0.927 2121 L HN 0.506 nan 8.230 nan 0.000 0.447 2122 H N -1.808 117.176 119.070 -0.143 0.000 2.551 2122 H HA 0.011 4.567 4.556 -0.000 0.000 0.266 2122 H C 1.300 176.243 175.328 -0.642 0.000 0.977 2122 H CA 0.620 56.433 56.048 -0.392 0.000 1.163 2122 H CB 0.400 29.855 29.762 -0.511 0.000 1.381 2122 H HN 0.363 nan 8.280 nan 0.000 0.581 2123 F N -0.351 119.617 119.950 0.031 0.000 2.667 2123 F HA 0.426 4.953 4.527 -0.000 0.000 0.288 2123 F C 0.859 176.570 175.800 -0.148 0.000 1.086 2123 F CA -0.030 57.931 58.000 -0.065 0.000 1.297 2123 F CB 1.046 39.993 39.000 -0.089 0.000 1.059 2123 F HN -0.041 nan 8.300 nan 0.000 0.624 2124 A N 0.455 123.295 122.820 0.033 0.000 2.589 2124 A HA 0.611 4.931 4.320 -0.000 0.000 0.296 2124 A C -2.793 174.805 177.584 0.023 0.000 1.062 2124 A CA -1.389 50.600 52.037 -0.080 0.000 0.686 2124 A CB 0.655 19.446 19.000 -0.347 0.000 1.282 2124 A HN -0.174 nan 8.150 nan 0.000 0.404 2125 P HA 0.130 nan 4.420 nan 0.000 0.272 2125 P C 0.842 178.211 177.300 0.115 0.000 1.240 2125 P CA -0.245 62.895 63.100 0.067 0.000 0.791 2125 P CB 0.473 32.211 31.700 0.062 0.000 0.978 2126 M N 1.253 120.909 119.600 0.094 0.000 2.267 2126 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 2126 M C 1.469 177.836 176.300 0.111 0.000 1.063 2126 M CA 1.950 57.309 55.300 0.099 0.000 1.090 2126 M CB -1.148 31.497 32.600 0.075 0.000 1.392 2126 M HN 0.304 nan 8.290 nan 0.000 0.422 2127 E N -0.870 119.397 120.200 0.112 0.000 2.265 2127 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 2127 E C 0.193 176.861 176.600 0.113 0.000 0.996 2127 E CA 0.527 56.984 56.400 0.095 0.000 0.832 2127 E CB -0.384 29.364 29.700 0.080 0.000 0.756 2127 E HN 0.498 nan 8.360 nan 0.000 0.491 2128 F N 2.401 122.365 119.950 0.024 0.000 2.443 2128 F HA 0.197 4.724 4.527 -0.000 0.000 0.353 2128 F C -2.048 173.762 175.800 0.016 0.000 1.101 2128 F CA -3.025 54.988 58.000 0.022 0.000 1.226 2128 F CB 0.614 39.633 39.000 0.031 0.000 1.140 2128 F HN -0.140 nan 8.300 nan 0.000 0.557 2129 P HA 0.169 nan 4.420 nan 0.000 0.280 2129 P C -1.272 176.049 177.300 0.035 0.000 1.244 2129 P CA -0.430 62.583 63.100 -0.145 0.000 0.784 2129 P CB 1.234 32.784 31.700 -0.250 0.000 0.913 2130 A N 3.849 126.709 122.820 0.067 0.000 3.037 2130 A HA 0.267 4.587 4.320 -0.000 0.000 0.272 2130 A C 0.232 177.832 177.584 0.027 0.000 1.723 2130 A CA -0.299 51.784 52.037 0.077 0.000 1.413 2130 A CB -0.965 18.054 19.000 0.031 0.000 1.112 2130 A HN 0.463 nan 8.150 nan 0.000 0.606 2131 V N 1.896 121.831 119.914 0.036 0.000 2.532 2131 V HA 0.698 4.818 4.120 -0.000 0.000 0.295 2131 V C 0.631 176.747 176.094 0.035 0.000 1.041 2131 V CA -0.226 62.080 62.300 0.010 0.000 0.926 2131 V CB 1.438 33.245 31.823 -0.026 0.000 0.992 2131 V HN 0.915 nan 8.190 nan 0.000 0.457 2132 A N 4.244 127.082 122.820 0.030 0.000 2.351 2132 A HA 0.392 4.712 4.320 -0.000 0.000 0.257 2132 A C 0.060 177.684 177.584 0.066 0.000 1.087 2132 A CA -0.209 51.851 52.037 0.039 0.000 0.798 2132 A CB 0.167 19.181 19.000 0.024 0.000 1.033 2132 A HN 1.029 nan 8.150 nan 0.000 0.488 2133 D N 0.215 120.656 120.400 0.069 0.000 2.424 2133 D HA 0.094 4.734 4.640 -0.000 0.000 0.244 2133 D C 0.666 177.032 176.300 0.110 0.000 1.134 2133 D CA 0.026 54.083 54.000 0.095 0.000 0.881 2133 D CB 0.159 41.006 40.800 0.078 0.000 1.191 2133 D HN 0.383 nan 8.370 nan 0.000 0.445 2134 F N 4.091 124.047 119.950 0.009 0.000 2.102 2134 F HA -0.083 4.443 4.527 -0.000 0.000 0.298 2134 F C 2.068 177.871 175.800 0.006 0.000 1.105 2134 F CA 1.703 59.706 58.000 0.005 0.000 1.239 2134 F CB -0.498 38.503 39.000 0.002 0.000 0.991 2134 F HN 0.498 nan 8.300 nan 0.000 0.474 2135 A N -0.403 122.401 122.820 -0.027 0.000 1.908 2135 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 2135 A C 2.364 179.855 177.584 -0.156 0.000 1.181 2135 A CA 1.960 53.920 52.037 -0.127 0.000 0.627 2135 A CB -1.694 17.307 19.000 0.003 0.000 0.818 2135 A HN 0.580 nan 8.150 nan 0.000 0.445 2136 C N -1.321 117.930 119.300 -0.082 0.000 2.446 2136 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 2136 C C 3.028 177.959 174.990 -0.099 0.000 1.275 2136 C CA 1.429 60.408 59.018 -0.065 0.000 1.727 2136 C CB -1.528 26.204 27.740 -0.013 0.000 2.010 2136 C HN 0.647 nan 8.230 nan 0.000 0.486 2137 T N 0.667 115.147 114.554 -0.124 0.000 2.746 2137 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 2137 T C 1.820 176.404 174.700 -0.193 0.000 1.039 2137 T CA 2.146 64.170 62.100 -0.126 0.000 1.142 2137 T CB -0.512 68.298 68.868 -0.096 0.000 0.866 2137 T HN 0.584 nan 8.240 nan 0.000 0.444 2138 T N 1.969 116.311 114.554 -0.353 0.000 2.708 2138 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 2138 T C 2.395 176.979 174.700 -0.194 0.000 1.037 2138 T CA 1.226 63.112 62.100 -0.357 0.000 1.146 2138 T CB -0.547 67.970 68.868 -0.585 0.000 0.865 2138 T HN 0.438 nan 8.240 nan 0.000 0.435 2139 A N 0.957 123.681 122.820 -0.159 0.000 1.933 2139 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 2139 A C 2.288 179.829 177.584 -0.071 0.000 1.175 2139 A CA 1.171 53.150 52.037 -0.096 0.000 0.628 2139 A CB -0.777 18.178 19.000 -0.076 0.000 0.814 2139 A HN 0.473 nan 8.150 nan 0.000 0.444 2140 L N -0.734 120.448 121.223 -0.069 0.000 2.056 2140 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 2140 L C 2.524 179.369 176.870 -0.041 0.000 1.078 2140 L CA 1.008 55.822 54.840 -0.043 0.000 0.749 2140 L CB -0.542 41.497 42.059 -0.033 0.000 0.901 2140 L HN 0.231 nan 8.230 nan 0.000 0.433 2141 V N -0.143 119.736 119.914 -0.057 0.000 2.343 2141 V HA -0.278 3.841 4.120 -0.000 0.000 0.247 2141 V C 2.371 178.436 176.094 -0.047 0.000 1.051 2141 V CA 1.846 64.116 62.300 -0.050 0.000 1.036 2141 V CB -0.499 31.289 31.823 -0.060 0.000 0.654 2141 V HN 0.459 nan 8.190 nan 0.000 0.451 2142 E N 0.242 120.408 120.200 -0.056 0.000 2.077 2142 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 2142 E C 2.317 178.896 176.600 -0.035 0.000 0.989 2142 E CA 1.293 57.665 56.400 -0.046 0.000 0.800 2142 E CB -0.330 29.339 29.700 -0.052 0.000 0.746 2142 E HN 0.610 nan 8.360 nan 0.000 0.452 2143 A N 1.440 124.240 122.820 -0.032 0.000 1.898 2143 A HA -0.060 4.259 4.320 -0.000 0.000 0.216 2143 A C 2.385 179.960 177.584 -0.015 0.000 1.181 2143 A CA 1.520 53.544 52.037 -0.021 0.000 0.620 2143 A CB -0.576 18.413 19.000 -0.018 0.000 0.819 2143 A HN 0.285 nan 8.150 nan 0.000 0.442 2144 A N -0.052 122.759 122.820 -0.014 0.000 1.902 2144 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 2144 A C 2.139 179.706 177.584 -0.028 0.000 1.181 2144 A CA 2.025 54.056 52.037 -0.011 0.000 0.623 2144 A CB -0.483 18.511 19.000 -0.009 0.000 0.818 2144 A HN 0.551 nan 8.150 nan 0.000 0.443 2145 K N 0.374 120.754 120.400 -0.033 0.000 2.097 2145 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 2145 K C 2.180 178.762 176.600 -0.031 0.000 1.049 2145 K CA 1.811 58.077 56.287 -0.036 0.000 0.933 2145 K CB -0.213 32.266 32.500 -0.035 0.000 0.717 2145 K HN 0.592 nan 8.250 nan 0.000 0.442 2146 S N 0.787 116.472 115.700 -0.025 0.000 2.474 2146 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 2146 S C 1.688 176.276 174.600 -0.019 0.000 0.997 2146 S CA 0.901 59.088 58.200 -0.021 0.000 0.949 2146 S CB -0.592 62.598 63.200 -0.018 0.000 0.766 2146 S HN 0.538 nan 8.310 nan 0.000 0.517 2147 I N -3.185 117.372 120.570 -0.021 0.000 3.941 2147 I HA 0.610 4.780 4.170 -0.000 0.000 0.335 2147 I C 1.139 177.233 176.117 -0.039 0.000 1.402 2147 I CA -0.048 61.239 61.300 -0.022 0.000 1.112 2147 I CB -0.199 37.796 38.000 -0.008 0.000 1.043 2147 I HN 0.256 nan 8.210 nan 0.000 0.395 2148 G N 1.766 110.540 108.800 -0.043 0.000 2.160 2148 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.251 2148 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.251 2148 G C 0.365 175.218 174.900 -0.078 0.000 1.008 2148 G CA 0.076 45.144 45.100 -0.053 0.000 0.724 2148 G HN 0.959 nan 8.290 nan 0.000 0.514 2149 A N -0.105 122.663 122.820 -0.087 0.000 2.388 2149 A HA 0.690 5.010 4.320 -0.000 0.000 0.257 2149 A C 0.822 178.343 177.584 -0.105 0.000 1.095 2149 A CA 0.795 52.757 52.037 -0.125 0.000 0.791 2149 A CB 0.462 19.394 19.000 -0.113 0.000 1.029 2149 A HN 0.775 nan 8.150 nan 0.000 0.489 2150 T N 2.948 117.433 114.554 -0.115 0.000 2.737 2150 T HA 0.419 4.769 4.350 -0.000 0.000 0.296 2150 T C 0.099 174.704 174.700 -0.158 0.000 0.922 2150 T CA 0.482 62.507 62.100 -0.125 0.000 1.079 2150 T CB 0.045 68.861 68.868 -0.087 0.000 0.892 2150 T HN 0.636 nan 8.240 nan 0.000 0.514 2151 T N 4.601 119.018 114.554 -0.228 0.000 2.829 2151 T HA 0.408 4.758 4.350 -0.000 0.000 0.280 2151 T C -0.570 173.922 174.700 -0.346 0.000 0.999 2151 T CA -0.778 61.210 62.100 -0.186 0.000 0.983 2151 T CB 0.906 69.721 68.868 -0.087 0.000 0.968 2151 T HN 0.528 nan 8.240 nan 0.000 0.446 2152 H N 0.894 119.983 119.070 0.030 0.000 2.538 2152 H HA 0.597 5.153 4.556 -0.000 0.000 0.353 2152 H C -0.998 174.347 175.328 0.028 0.000 1.109 2152 H CA -0.571 55.504 56.048 0.044 0.000 1.192 2152 H CB 1.977 31.779 29.762 0.067 0.000 1.555 2152 H HN 0.271 nan 8.280 nan 0.000 0.518 2153 V N 2.041 122.035 119.914 0.133 0.000 2.444 2153 V HA 0.700 4.820 4.120 -0.000 0.000 0.294 2153 V C 0.469 176.605 176.094 0.070 0.000 1.022 2153 V CA -0.276 62.068 62.300 0.073 0.000 0.850 2153 V CB 1.376 33.223 31.823 0.041 0.000 0.992 2153 V HN 1.101 nan 8.190 nan 0.000 0.426 2154 G N 3.214 112.042 108.800 0.045 0.000 2.392 2154 G HA2 0.407 4.367 3.960 -0.000 0.000 0.260 2154 G HA3 0.407 4.367 3.960 -0.000 0.000 0.260 2154 G C -1.501 173.396 174.900 -0.005 0.000 1.226 2154 G CA -0.356 44.761 45.100 0.028 0.000 0.913 2154 G HN 0.518 nan 8.290 nan 0.000 0.483 2155 V N 0.795 120.695 119.914 -0.024 0.000 2.567 2155 V HA 0.673 4.793 4.120 -0.000 0.000 0.289 2155 V C 0.191 176.214 176.094 -0.119 0.000 1.049 2155 V CA -0.150 62.108 62.300 -0.070 0.000 0.969 2155 V CB 1.412 33.191 31.823 -0.074 0.000 0.995 2155 V HN 0.757 nan 8.190 nan 0.000 0.471 2156 T N 3.581 118.039 114.554 -0.160 0.000 2.829 2156 T HA 0.665 5.014 4.350 -0.000 0.000 0.280 2156 T C -0.094 174.396 174.700 -0.349 0.000 0.999 2156 T CA -0.273 61.696 62.100 -0.218 0.000 0.983 2156 T CB 1.620 70.400 68.868 -0.146 0.000 0.968 2156 T HN 0.920 nan 8.240 nan 0.000 0.446 2157 A N 2.281 124.767 122.820 -0.556 0.000 2.301 2157 A HA 0.692 5.012 4.320 -0.000 0.000 0.298 2157 A C 0.197 177.497 177.584 -0.473 0.000 1.185 2157 A CA -0.478 51.094 52.037 -0.774 0.000 0.830 2157 A CB 0.596 18.710 19.000 -1.478 0.000 1.112 2157 A HN 0.633 nan 8.150 nan 0.000 0.508 2158 S N 1.151 116.669 115.700 -0.302 0.000 2.659 2158 S HA 0.689 5.159 4.470 -0.000 0.000 0.312 2158 S C -0.185 174.380 174.600 -0.059 0.000 1.114 2158 S CA 0.003 58.128 58.200 -0.124 0.000 1.063 2158 S CB 0.538 63.673 63.200 -0.109 0.000 0.996 2158 S HN 1.493 nan 8.310 nan 0.000 0.478 2159 S N 3.104 118.810 115.700 0.010 0.000 2.704 2159 S HA 0.556 5.026 4.470 -0.000 0.000 0.296 2159 S C -0.255 174.342 174.600 -0.005 0.000 1.138 2159 S CA -0.700 57.506 58.200 0.011 0.000 0.875 2159 S CB 1.228 64.456 63.200 0.046 0.000 1.151 2159 S HN 0.480 nan 8.310 nan 0.000 0.500 2160 D N 1.253 121.641 120.400 -0.020 0.000 2.333 2160 D HA 0.128 4.767 4.640 -0.000 0.000 0.208 2160 D C 0.523 176.805 176.300 -0.029 0.000 0.984 2160 D CA 1.014 55.005 54.000 -0.016 0.000 0.873 2160 D CB 0.049 40.843 40.800 -0.010 0.000 0.935 2160 D HN 0.771 nan 8.370 nan 0.000 0.521 2161 T N -1.775 112.710 114.554 -0.116 0.000 2.829 2161 T HA 0.214 4.564 4.350 -0.000 0.000 0.282 2161 T C 0.841 175.479 174.700 -0.102 0.000 0.990 2161 T CA -0.810 61.166 62.100 -0.205 0.000 1.028 2161 T CB 1.532 69.956 68.868 -0.739 0.000 0.951 2161 T HN -0.190 nan 8.240 nan 0.000 0.460 2162 F N 1.937 121.843 119.950 -0.072 0.000 2.333 2162 F HA 0.024 4.550 4.527 -0.000 0.000 0.300 2162 F C 0.869 176.677 175.800 0.013 0.000 1.083 2162 F CA 0.478 58.482 58.000 0.006 0.000 1.395 2162 F CB -0.167 38.882 39.000 0.082 0.000 1.056 2162 F HN 0.786 nan 8.300 nan 0.000 0.529 2163 Y N -0.442 119.899 120.300 0.069 0.000 2.726 2163 Y HA 0.596 5.146 4.550 -0.000 0.000 0.367 2163 Y C -2.675 173.179 175.900 -0.076 0.000 1.038 2163 Y CA -3.831 54.261 58.100 -0.012 0.000 1.174 2163 Y CB -1.565 36.929 38.460 0.057 0.000 1.265 2163 Y HN -0.174 nan 8.280 nan 0.000 0.622 2164 P HA 0.210 nan 4.420 nan 0.000 0.263 2164 P C 0.440 177.629 177.300 -0.186 0.000 1.162 2164 P CA 1.550 64.440 63.100 -0.350 0.000 0.758 2164 P CB 0.540 31.845 31.700 -0.658 0.000 0.773 2165 G N 1.045 109.772 108.800 -0.123 0.000 2.314 2165 G HA2 0.233 4.193 3.960 -0.000 0.000 0.286 2165 G HA3 0.233 4.193 3.960 -0.000 0.000 0.286 2165 G C -0.880 174.046 174.900 0.043 0.000 1.270 2165 G CA -0.633 44.484 45.100 0.029 0.000 1.277 2165 G HN 0.597 nan 8.290 nan 0.000 0.635 2184 M N 1.548 121.157 119.600 0.015 0.000 2.254 2184 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 2184 M C 1.355 177.715 176.300 0.101 0.000 1.066 2184 M CA 1.684 57.111 55.300 0.213 0.000 1.123 2184 M CB -0.020 32.711 32.600 0.218 0.000 1.388 2184 M HN 0.204 nan 8.290 nan 0.000 0.425 2185 E N 0.585 120.784 120.200 -0.002 0.000 2.153 2185 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 2185 E C 1.696 178.255 176.600 -0.069 0.000 0.988 2185 E CA 1.352 57.742 56.400 -0.016 0.000 0.811 2185 E CB -0.221 29.460 29.700 -0.031 0.000 0.746 2185 E HN 0.608 nan 8.360 nan 0.000 0.466 2186 E N -0.686 119.388 120.200 -0.211 0.000 2.051 2186 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 2186 E C 1.647 178.105 176.600 -0.238 0.000 0.991 2186 E CA 1.313 57.506 56.400 -0.345 0.000 0.799 2186 E CB -0.185 29.116 29.700 -0.665 0.000 0.748 2186 E HN 0.416 nan 8.360 nan 0.000 0.449 2187 W N 0.923 122.240 121.300 0.029 0.000 2.388 2187 W HA -0.100 4.559 4.660 -0.000 0.000 0.294 2187 W C 2.655 179.168 176.519 -0.010 0.000 1.212 2187 W CA 0.511 57.852 57.345 -0.007 0.000 1.271 2187 W CB -0.193 29.244 29.460 -0.039 0.000 1.126 2187 W HN 0.230 nan 8.180 nan 0.000 0.535 2188 Q N 0.987 120.911 119.800 0.207 0.000 2.096 2188 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 2188 Q C 2.339 178.392 176.000 0.088 0.000 0.982 2188 Q CA 2.099 57.975 55.803 0.121 0.000 0.850 2188 Q CB -0.405 28.385 28.738 0.087 0.000 0.901 2188 Q HN 0.235 nan 8.270 nan 0.000 0.422 2189 A N 0.177 123.034 122.820 0.061 0.000 2.067 2189 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 2189 A C 1.755 179.373 177.584 0.058 0.000 1.158 2189 A CA 1.140 53.202 52.037 0.041 0.000 0.661 2189 A CB -0.292 18.711 19.000 0.005 0.000 0.801 2189 A HN 0.472 nan 8.150 nan 0.000 0.452 2190 M N -1.314 118.344 119.600 0.096 0.000 2.494 2190 M HA 0.203 4.682 4.480 -0.000 0.000 0.232 2190 M C 1.247 177.608 176.300 0.103 0.000 1.137 2190 M CA 0.725 56.094 55.300 0.115 0.000 1.012 2190 M CB 0.394 33.112 32.600 0.197 0.000 1.567 2190 M HN 0.580 nan 8.290 nan 0.000 0.486 2191 G N 0.555 109.411 108.800 0.093 0.000 2.157 2191 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.248 2191 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.248 2191 G C 0.075 175.007 174.900 0.054 0.000 0.979 2191 G CA -0.230 44.916 45.100 0.078 0.000 0.650 2191 G HN 0.304 nan 8.290 nan 0.000 0.529 2192 V N 1.750 121.696 119.914 0.053 0.000 2.673 2192 V HA 0.183 4.303 4.120 -0.000 0.000 0.303 2192 V C 1.876 177.942 176.094 -0.046 0.000 1.046 2192 V CA 1.143 63.426 62.300 -0.029 0.000 1.126 2192 V CB 1.228 33.002 31.823 -0.081 0.000 0.934 2192 V HN 0.402 nan 8.190 nan 0.000 0.487 2193 M N 3.182 122.734 119.600 -0.080 0.000 2.287 2193 M HA 0.093 4.573 4.480 -0.000 0.000 0.266 2193 M C 0.701 176.945 176.300 -0.093 0.000 1.079 2193 M CA 1.070 56.317 55.300 -0.089 0.000 1.146 2193 M CB 0.006 32.565 32.600 -0.069 0.000 1.374 2193 M HN 0.974 nan 8.290 nan 0.000 0.435 2194 N N -1.952 116.679 118.700 -0.114 0.000 3.261 2194 N HA 0.146 4.886 4.740 -0.000 0.000 0.248 2194 N C -2.017 173.405 175.510 -0.147 0.000 1.498 2194 N CA -0.650 52.359 53.050 -0.068 0.000 0.884 2194 N CB 1.388 39.848 38.487 -0.045 0.000 1.428 2194 N HN -0.064 nan 8.380 nan 0.000 0.517 2195 Y N -0.467 119.778 120.300 -0.090 0.000 2.425 2195 Y HA 0.489 5.039 4.550 -0.000 0.000 0.344 2195 Y C -0.088 175.745 175.900 -0.111 0.000 0.969 2195 Y CA -0.016 58.017 58.100 -0.111 0.000 1.052 2195 Y CB 1.785 40.182 38.460 -0.104 0.000 1.215 2195 Y HN 0.861 nan 8.280 nan 0.000 0.451 2196 E N 0.252 120.492 120.200 0.066 0.000 2.269 2196 E HA 0.457 4.807 4.350 -0.000 0.000 0.243 2196 E C -1.004 175.606 176.600 0.017 0.000 1.114 2196 E CA -0.679 55.733 56.400 0.020 0.000 0.896 2196 E CB 1.121 30.816 29.700 -0.009 0.000 1.811 2196 E HN 0.455 nan 8.360 nan 0.000 0.472 2197 M N -0.757 118.847 119.600 0.006 0.000 2.279 2197 M HA 0.317 4.796 4.480 -0.000 0.000 0.306 2197 M C 0.240 176.540 176.300 0.000 0.000 0.965 2197 M CA 0.292 55.598 55.300 0.010 0.000 1.038 2197 M CB 0.690 33.309 32.600 0.032 0.000 1.636 2197 M HN 0.473 nan 8.290 nan 0.000 0.574 2198 E N -0.374 119.822 120.200 -0.007 0.000 2.453 2198 E HA 0.060 4.409 4.350 -0.000 0.000 0.211 2198 E C 1.897 178.479 176.600 -0.030 0.000 0.897 2198 E CA 0.716 57.109 56.400 -0.012 0.000 1.063 2198 E CB 0.280 29.980 29.700 -0.000 0.000 1.080 2198 E HN 0.327 nan 8.360 nan 0.000 0.512 2199 S N 0.932 116.611 115.700 -0.036 0.000 2.382 2199 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 2199 S C 2.244 176.813 174.600 -0.051 0.000 1.027 2199 S CA 0.993 59.166 58.200 -0.045 0.000 0.991 2199 S CB -0.350 62.821 63.200 -0.049 0.000 0.823 2199 S HN 0.229 nan 8.310 nan 0.000 0.469 2200 A N 1.850 124.639 122.820 -0.051 0.000 1.883 2200 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 2200 A C 2.472 180.039 177.584 -0.029 0.000 1.186 2200 A CA 2.296 54.309 52.037 -0.039 0.000 0.624 2200 A CB -1.772 17.204 19.000 -0.040 0.000 0.822 2200 A HN 0.587 nan 8.150 nan 0.000 0.444 2201 T N -0.012 114.522 114.554 -0.033 0.000 2.674 2201 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 2201 T C 1.879 176.488 174.700 -0.151 0.000 1.039 2201 T CA 1.498 63.569 62.100 -0.048 0.000 1.150 2201 T CB -0.456 68.399 68.868 -0.022 0.000 0.864 2201 T HN 0.353 nan 8.240 nan 0.000 0.427 2202 L N 1.121 122.263 121.223 -0.136 0.000 1.989 2202 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 2202 L C 2.196 178.963 176.870 -0.172 0.000 1.071 2202 L CA 1.746 56.475 54.840 -0.185 0.000 0.749 2202 L CB -0.746 41.243 42.059 -0.117 0.000 0.890 2202 L HN 0.251 nan 8.230 nan 0.000 0.431 2203 L N -1.328 119.840 121.223 -0.092 0.000 2.056 2203 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 2203 L C 2.353 179.207 176.870 -0.027 0.000 1.078 2203 L CA 1.676 56.489 54.840 -0.044 0.000 0.749 2203 L CB -1.151 40.901 42.059 -0.012 0.000 0.901 2203 L HN 0.321 nan 8.230 nan 0.000 0.433 2204 T N 0.576 115.110 114.554 -0.034 0.000 2.737 2204 T HA -0.199 4.151 4.350 -0.000 0.000 0.265 2204 T C 1.861 176.461 174.700 -0.167 0.000 1.038 2204 T CA 1.814 63.918 62.100 0.006 0.000 1.144 2204 T CB -0.233 68.665 68.868 0.050 0.000 0.866 2204 T HN 0.436 nan 8.240 nan 0.000 0.434 2205 M N 0.232 119.586 119.600 -0.410 0.000 2.296 2205 M HA -0.004 4.476 4.480 -0.000 0.000 0.265 2205 M C 2.143 178.174 176.300 -0.448 0.000 1.064 2205 M CA 1.445 56.261 55.300 -0.807 0.000 1.109 2205 M CB -1.017 30.622 32.600 -1.602 0.000 1.396 2205 M HN 0.181 nan 8.290 nan 0.000 0.430 2206 C N 1.275 120.403 119.300 -0.286 0.000 2.522 2206 C HA 0.221 4.680 4.460 -0.000 0.000 0.280 2206 C C 3.248 178.219 174.990 -0.033 0.000 1.303 2206 C CA 0.889 59.821 59.018 -0.144 0.000 1.709 2206 C CB -1.048 26.638 27.740 -0.090 0.000 2.071 2206 C HN 0.755 nan 8.230 nan 0.000 0.492 2207 A N 1.052 123.888 122.820 0.026 0.000 2.070 2207 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 2207 A C 2.090 179.777 177.584 0.172 0.000 1.159 2207 A CA 2.022 54.150 52.037 0.151 0.000 0.656 2207 A CB -0.529 18.632 19.000 0.268 0.000 0.800 2207 A HN 0.712 nan 8.150 nan 0.000 0.453 2208 S N -2.025 113.651 115.700 -0.041 0.000 2.557 2208 S HA 0.203 4.672 4.470 -0.000 0.000 0.223 2208 S C 0.860 175.405 174.600 -0.092 0.000 0.969 2208 S CA 0.083 58.151 58.200 -0.220 0.000 0.927 2208 S CB 0.131 62.968 63.200 -0.606 0.000 0.806 2208 S HN 0.619 nan 8.310 nan 0.000 0.489 2209 Q N 0.325 120.101 119.800 -0.041 0.000 2.086 2209 Q HA 0.337 4.676 4.340 -0.000 0.000 0.220 2209 Q C 0.597 176.608 176.000 0.019 0.000 0.792 2209 Q CA 0.067 55.863 55.803 -0.012 0.000 1.062 2209 Q CB 1.130 29.850 28.738 -0.031 0.000 1.198 2209 Q HN 0.639 nan 8.270 nan 0.000 0.466 2210 G N 1.523 110.345 108.800 0.037 0.000 2.176 2210 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 2210 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 2210 G C -0.159 174.779 174.900 0.063 0.000 1.024 2210 G CA 0.184 45.315 45.100 0.052 0.000 0.755 2210 G HN 0.248 nan 8.290 nan 0.000 0.507 2211 L N -0.527 120.737 121.223 0.069 0.000 2.334 2211 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 2211 L C 0.894 177.834 176.870 0.117 0.000 1.013 2211 L CA -1.197 53.715 54.840 0.119 0.000 0.816 2211 L CB 1.503 43.658 42.059 0.160 0.000 1.278 2211 L HN 0.058 nan 8.230 nan 0.000 0.431 2212 R N 1.641 122.221 120.500 0.134 0.000 2.349 2212 R HA 0.788 5.128 4.340 -0.000 0.000 0.299 2212 R C -0.696 175.694 176.300 0.151 0.000 1.027 2212 R CA -0.499 55.667 56.100 0.110 0.000 0.958 2212 R CB 1.603 31.946 30.300 0.072 0.000 1.047 2212 R HN 0.716 nan 8.270 nan 0.000 0.468 2213 A N 1.182 124.066 122.820 0.107 0.000 2.515 2213 A HA 0.808 5.128 4.320 -0.000 0.000 0.298 2213 A C -0.841 176.779 177.584 0.059 0.000 1.059 2213 A CA -0.612 51.489 52.037 0.107 0.000 0.698 2213 A CB 2.276 21.318 19.000 0.070 0.000 1.289 2213 A HN 0.764 nan 8.150 nan 0.000 0.404 2214 G N -0.493 108.338 108.800 0.051 0.000 2.642 2214 G HA2 0.717 4.676 3.960 -0.000 0.000 0.293 2214 G HA3 0.717 4.676 3.960 -0.000 0.000 0.293 2214 G C -1.241 173.670 174.900 0.019 0.000 1.341 2214 G CA -0.472 44.641 45.100 0.021 0.000 0.916 2214 G HN 1.354 nan 8.290 nan 0.000 0.474 2215 M N 1.336 120.939 119.600 0.005 0.000 2.277 2215 M HA 0.697 5.177 4.480 -0.000 0.000 0.282 2215 M C -1.903 174.396 176.300 -0.001 0.000 1.074 2215 M CA -0.683 54.618 55.300 0.002 0.000 0.954 2215 M CB 2.082 34.678 32.600 -0.007 0.000 1.672 2215 M HN 0.774 nan 8.290 nan 0.000 0.471 2216 V N 3.995 123.910 119.914 0.001 0.000 2.876 2216 V HA 1.055 5.175 4.120 -0.000 0.000 0.312 2216 V C -1.640 174.455 176.094 0.002 0.000 1.085 2216 V CA 0.108 62.411 62.300 0.005 0.000 0.945 2216 V CB 2.048 33.875 31.823 0.007 0.000 1.017 2216 V HN 1.214 nan 8.190 nan 0.000 0.428 2217 A N 3.542 126.368 122.820 0.011 0.000 2.520 2217 A HA 0.882 5.202 4.320 -0.000 0.000 0.298 2217 A C -0.240 177.356 177.584 0.021 0.000 1.051 2217 A CA -0.117 51.922 52.037 0.002 0.000 0.690 2217 A CB 1.772 20.771 19.000 -0.003 0.000 1.281 2217 A HN 1.595 nan 8.150 nan 0.000 0.402 2218 G N 0.183 108.977 108.800 -0.009 0.000 2.356 2218 G HA2 0.521 4.481 3.960 -0.000 0.000 0.298 2218 G HA3 0.521 4.481 3.960 -0.000 0.000 0.298 2218 G C -0.477 174.440 174.900 0.029 0.000 1.145 2218 G CA -0.320 44.790 45.100 0.016 0.000 0.850 2218 G HN 0.899 nan 8.290 nan 0.000 0.487 2219 V N 3.532 123.490 119.914 0.073 0.000 2.455 2219 V HA 0.156 4.275 4.120 -0.000 0.000 0.273 2219 V C 1.233 177.351 176.094 0.040 0.000 1.045 2219 V CA -0.062 62.264 62.300 0.044 0.000 0.976 2219 V CB 0.904 32.753 31.823 0.044 0.000 0.993 2219 V HN 0.768 nan 8.190 nan 0.000 0.475 2220 I N 3.234 123.814 120.570 0.017 0.000 4.082 2220 I HA 0.582 4.752 4.170 -0.000 0.000 0.337 2220 I C 0.117 176.240 176.117 0.010 0.000 1.352 2220 I CA 0.141 61.450 61.300 0.015 0.000 1.097 2220 I CB 1.102 39.105 38.000 0.005 0.000 1.048 2220 I HN 0.427 nan 8.210 nan 0.000 0.393 2221 V N 1.098 121.014 119.914 0.003 0.000 3.236 2221 V HA 0.607 4.727 4.120 -0.000 0.000 0.287 2221 V C -2.189 173.899 176.094 -0.010 0.000 1.491 2221 V CA -0.366 61.933 62.300 -0.001 0.000 1.037 2221 V CB 2.344 34.165 31.823 -0.004 0.000 1.160 2221 V HN 0.507 nan 8.190 nan 0.000 0.453 2222 N N 2.747 121.440 118.700 -0.011 0.000 3.217 2222 N HA 0.413 5.153 4.740 -0.000 0.000 0.236 2222 N C -1.851 173.650 175.510 -0.015 0.000 1.136 2222 N CA -0.619 52.419 53.050 -0.020 0.000 0.997 2222 N CB 1.712 40.178 38.487 -0.037 0.000 1.658 2222 N HN 0.679 nan 8.380 nan 0.000 0.527 2223 R N 2.198 122.690 120.500 -0.014 0.000 2.346 2223 R HA 0.515 4.855 4.340 -0.000 0.000 0.309 2223 R C -0.735 175.558 176.300 -0.013 0.000 1.119 2223 R CA -0.472 55.623 56.100 -0.009 0.000 1.112 2223 R CB 0.113 30.411 30.300 -0.003 0.000 1.132 2223 R HN 0.627 nan 8.270 nan 0.000 0.538 2224 T N -0.103 114.442 114.554 -0.015 0.000 2.903 2224 T HA 0.822 5.172 4.350 -0.000 0.000 0.299 2224 T C -0.157 174.534 174.700 -0.015 0.000 1.093 2224 T CA -0.617 61.477 62.100 -0.010 0.000 1.002 2224 T CB 2.080 70.948 68.868 -0.000 0.000 1.127 2224 T HN 0.714 nan 8.240 nan 0.000 0.488 2236 Q N 1.806 121.616 119.800 0.016 0.000 2.084 2236 Q HA -0.011 4.329 4.340 -0.000 0.000 0.202 2236 Q C 1.377 177.436 176.000 0.098 0.000 0.978 2236 Q CA 2.784 58.622 55.803 0.058 0.000 0.844 2236 Q CB -0.549 28.234 28.738 0.076 0.000 0.898 2236 Q HN 0.401 nan 8.270 nan 0.000 0.426 2237 T N 0.522 115.106 114.554 0.051 0.000 2.777 2237 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 2237 T C 1.481 175.838 174.700 -0.573 0.000 1.040 2237 T CA 1.312 63.354 62.100 -0.096 0.000 1.141 2237 T CB -0.282 68.625 68.868 0.065 0.000 0.868 2237 T HN 0.504 nan 8.240 nan 0.000 0.444 2238 E N 0.767 120.813 120.200 -0.256 0.000 2.077 2238 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 2238 E C 2.338 178.797 176.600 -0.236 0.000 0.989 2238 E CA 1.147 57.412 56.400 -0.224 0.000 0.800 2238 E CB -0.080 29.552 29.700 -0.113 0.000 0.746 2238 E HN 0.308 nan 8.360 nan 0.000 0.452 2239 S N -0.128 115.472 115.700 -0.167 0.000 2.359 2239 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 2239 S C 1.689 176.242 174.600 -0.079 0.000 1.035 2239 S CA 1.801 59.946 58.200 -0.092 0.000 1.018 2239 S CB -0.517 62.669 63.200 -0.025 0.000 0.876 2239 S HN 0.616 nan 8.310 nan 0.000 0.448 2240 H N 0.770 119.832 119.070 -0.014 0.000 2.395 2240 H HA 0.353 4.909 4.556 -0.000 0.000 0.299 2240 H C 2.027 177.347 175.328 -0.014 0.000 1.070 2240 H CA 1.108 57.148 56.048 -0.013 0.000 1.356 2240 H CB -0.793 28.963 29.762 -0.010 0.000 1.401 2240 H HN 0.291 nan 8.280 nan 0.000 0.524 2241 A N 1.314 123.924 122.820 -0.349 0.000 1.908 2241 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 2241 A C 2.591 180.132 177.584 -0.070 0.000 1.181 2241 A CA 1.840 53.798 52.037 -0.131 0.000 0.627 2241 A CB -1.045 17.834 19.000 -0.200 0.000 0.818 2241 A HN 0.338 nan 8.150 nan 0.000 0.445 2242 V N 0.205 120.061 119.914 -0.097 0.000 2.343 2242 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 2242 V C 2.598 178.670 176.094 -0.038 0.000 1.051 2242 V CA 2.463 64.724 62.300 -0.065 0.000 1.036 2242 V CB -0.580 31.197 31.823 -0.077 0.000 0.654 2242 V HN 0.653 nan 8.190 nan 0.000 0.451 2243 K N 0.647 121.035 120.400 -0.019 0.000 2.057 2243 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 2243 K C 1.794 178.396 176.600 0.003 0.000 1.049 2243 K CA 1.631 57.916 56.287 -0.003 0.000 0.931 2243 K CB -0.561 31.949 32.500 0.016 0.000 0.714 2243 K HN 0.451 nan 8.250 nan 0.000 0.440 2244 I N -0.202 120.379 120.570 0.020 0.000 2.208 2244 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 2244 I C 2.206 178.322 176.117 -0.001 0.000 1.097 2244 I CA 1.068 62.379 61.300 0.018 0.000 1.363 2244 I CB -0.306 37.720 38.000 0.044 0.000 1.051 2244 I HN 0.030 nan 8.210 nan 0.000 0.413 2245 V N 0.333 120.243 119.914 -0.008 0.000 2.427 2245 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 2245 V C 2.349 178.432 176.094 -0.018 0.000 1.051 2245 V CA 1.556 63.848 62.300 -0.013 0.000 1.048 2245 V CB 0.176 31.990 31.823 -0.015 0.000 0.666 2245 V HN 0.209 nan 8.190 nan 0.000 0.456 2246 V N -0.040 119.861 119.914 -0.020 0.000 2.307 2246 V HA -0.144 3.975 4.120 -0.000 0.000 0.245 2246 V C 2.602 178.685 176.094 -0.019 0.000 1.045 2246 V CA 2.012 64.299 62.300 -0.022 0.000 1.024 2246 V CB -0.664 31.144 31.823 -0.025 0.000 0.651 2246 V HN 0.539 nan 8.190 nan 0.000 0.449 2247 E N 0.273 120.464 120.200 -0.015 0.000 2.204 2247 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 2247 E C 2.256 178.844 176.600 -0.020 0.000 0.989 2247 E CA 1.279 57.669 56.400 -0.015 0.000 0.824 2247 E CB -0.429 29.264 29.700 -0.012 0.000 0.756 2247 E HN 0.582 nan 8.360 nan 0.000 0.477 2248 A N 1.361 124.169 122.820 -0.021 0.000 1.897 2248 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 2248 A C 2.422 179.989 177.584 -0.029 0.000 1.181 2248 A CA 1.634 53.655 52.037 -0.028 0.000 0.620 2248 A CB -0.511 18.473 19.000 -0.028 0.000 0.821 2248 A HN 0.252 nan 8.150 nan 0.000 0.443 2249 A N -0.106 122.698 122.820 -0.026 0.000 1.892 2249 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 2249 A C 2.252 179.819 177.584 -0.028 0.000 1.188 2249 A CA 1.885 53.904 52.037 -0.030 0.000 0.631 2249 A CB -0.580 18.403 19.000 -0.029 0.000 0.822 2249 A HN 0.536 nan 8.150 nan 0.000 0.447 2250 R N -0.436 120.050 120.500 -0.024 0.000 2.103 2250 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 2250 R C 2.270 178.557 176.300 -0.022 0.000 1.142 2250 R CA 1.815 57.902 56.100 -0.021 0.000 0.960 2250 R CB -0.220 30.070 30.300 -0.017 0.000 0.858 2250 R HN 0.554 nan 8.270 nan 0.000 0.439 2251 R N -0.206 120.279 120.500 -0.025 0.000 2.237 2251 R HA -0.029 4.311 4.340 -0.000 0.000 0.219 2251 R C 1.617 177.901 176.300 -0.027 0.000 1.080 2251 R CA 0.683 56.767 56.100 -0.026 0.000 0.995 2251 R CB 0.072 30.352 30.300 -0.033 0.000 0.875 2251 R HN 0.274 nan 8.270 nan 0.000 0.462 2252 L N 0.387 121.592 121.223 -0.029 0.000 2.640 2252 L HA 0.203 4.543 4.340 -0.000 0.000 0.230 2252 L C 0.390 177.244 176.870 -0.027 0.000 1.123 2252 L CA -0.243 54.580 54.840 -0.029 0.000 0.900 2252 L CB 0.215 42.254 42.059 -0.034 0.000 1.146 2252 L HN 0.038 nan 8.230 nan 0.000 0.484 2253 L N 0.000 121.208 121.223 -0.026 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 2253 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502