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 2e48_1_C DATA FIRST_RESID 2001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.326 176.300 0.044 0.000 1.140 2001 M CA 0.000 55.318 55.300 0.029 0.000 0.988 2001 M CB 0.000 32.631 32.600 0.051 0.000 1.302 2002 R N 3.178 123.693 120.500 0.025 0.000 2.215 2002 R HA 0.722 5.062 4.340 -0.000 0.000 0.337 2002 R C -0.866 175.439 176.300 0.008 0.000 1.010 2002 R CA -0.877 55.231 56.100 0.014 0.000 0.871 2002 R CB 1.149 31.448 30.300 -0.003 0.000 1.134 2002 R HN 0.397 nan 8.270 nan 0.000 0.477 2003 V N 4.121 124.042 119.914 0.010 0.000 2.407 2003 V HA 0.233 4.353 4.120 -0.000 0.000 0.278 2003 V C 0.077 176.118 176.094 -0.089 0.000 1.037 2003 V CA -0.686 61.609 62.300 -0.009 0.000 0.900 2003 V CB 1.863 33.676 31.823 -0.015 0.000 0.983 2003 V HN 0.460 nan 8.190 nan 0.000 0.459 2004 V N 6.049 125.887 119.914 -0.126 0.000 2.326 2004 V HA 0.321 4.441 4.120 -0.000 0.000 0.281 2004 V C -0.084 175.908 176.094 -0.169 0.000 1.015 2004 V CA -0.606 61.550 62.300 -0.241 0.000 0.823 2004 V CB 1.620 33.206 31.823 -0.396 0.000 1.009 2004 V HN 0.609 nan 8.190 nan 0.000 0.436 2005 V N 6.724 126.553 119.914 -0.142 0.000 2.432 2005 V HA 0.391 4.510 4.120 -0.000 0.000 0.271 2005 V C 0.119 176.195 176.094 -0.031 0.000 1.046 2005 V CA -0.119 62.140 62.300 -0.069 0.000 0.945 2005 V CB 1.149 32.937 31.823 -0.057 0.000 0.992 2005 V HN 0.654 nan 8.190 nan 0.000 0.471 2006 I N 4.393 124.975 120.570 0.020 0.000 2.336 2006 I HA 0.773 4.943 4.170 -0.000 0.000 0.292 2006 I C 0.649 176.809 176.117 0.071 0.000 0.991 2006 I CA -0.069 61.271 61.300 0.067 0.000 1.227 2006 I CB 1.428 39.478 38.000 0.083 0.000 1.366 2006 I HN 0.859 nan 8.210 nan 0.000 0.466 2007 G N 4.309 113.136 108.800 0.045 0.000 3.055 2007 G HA2 0.211 4.170 3.960 -0.000 0.000 0.685 2007 G HA3 0.211 4.170 3.960 -0.000 0.000 0.685 2007 G C -0.544 174.361 174.900 0.009 0.000 1.212 2007 G CA -0.344 44.766 45.100 0.017 0.000 0.822 2007 G HN 0.960 nan 8.290 nan 0.000 0.610 2008 A N 1.406 124.182 122.820 -0.073 0.000 2.749 2008 A HA 0.810 5.130 4.320 -0.000 0.000 0.299 2008 A C 1.217 178.810 177.584 0.015 0.000 1.105 2008 A CA 1.080 53.114 52.037 -0.006 0.000 0.987 2008 A CB -0.099 18.841 19.000 -0.099 0.000 1.180 2008 A HN 2.098 nan 8.150 nan 0.000 0.528 2009 G N -1.308 107.511 108.800 0.033 0.000 2.543 2009 G HA2 0.369 4.329 3.960 -0.000 0.000 0.267 2009 G HA3 0.369 4.329 3.960 -0.000 0.000 0.267 2009 G C 1.079 175.996 174.900 0.029 0.000 1.406 2009 G CA 0.405 45.532 45.100 0.045 0.000 1.048 2009 G HN 0.434 nan 8.290 nan 0.000 0.548 2010 V N -0.177 119.749 119.914 0.019 0.000 2.407 2010 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 2010 V C 2.619 178.716 176.094 0.005 0.000 1.055 2010 V CA 1.407 63.703 62.300 -0.006 0.000 1.049 2010 V CB -0.516 31.314 31.823 0.012 0.000 0.662 2010 V HN 0.498 nan 8.190 nan 0.000 0.455 2011 I N 0.954 121.516 120.570 -0.014 0.000 2.202 2011 I HA -0.067 4.102 4.170 -0.000 0.000 0.242 2011 I C 2.729 178.861 176.117 0.025 0.000 1.091 2011 I CA 1.775 63.056 61.300 -0.033 0.000 1.368 2011 I CB -2.162 35.755 38.000 -0.138 0.000 1.058 2011 I HN 0.385 nan 8.210 nan 0.000 0.410 2012 G N 1.140 109.966 108.800 0.043 0.000 2.459 2012 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 2012 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 2012 G C 1.836 176.766 174.900 0.051 0.000 1.183 2012 G CA 0.542 45.673 45.100 0.052 0.000 0.776 2012 G HN 0.295 nan 8.290 nan 0.000 0.552 2013 L N 1.276 122.535 121.223 0.060 0.000 2.023 2013 L HA -0.078 4.261 4.340 -0.000 0.000 0.205 2013 L C 3.364 180.268 176.870 0.057 0.000 1.073 2013 L CA 1.551 56.431 54.840 0.066 0.000 0.745 2013 L CB -0.669 41.424 42.059 0.056 0.000 0.900 2013 L HN 0.446 nan 8.230 nan 0.000 0.435 2014 S N -1.356 114.389 115.700 0.076 0.000 2.419 2014 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 2014 S C 1.850 176.546 174.600 0.160 0.000 1.019 2014 S CA 1.760 60.090 58.200 0.216 0.000 0.982 2014 S CB -0.757 62.659 63.200 0.361 0.000 0.789 2014 S HN 0.380 nan 8.310 nan 0.000 0.490 2015 T N 2.427 117.019 114.554 0.063 0.000 2.809 2015 T HA 0.229 4.579 4.350 -0.000 0.000 0.260 2015 T C 2.306 176.986 174.700 -0.034 0.000 1.039 2015 T CA 1.068 63.160 62.100 -0.013 0.000 1.141 2015 T CB -0.847 68.006 68.868 -0.024 0.000 0.869 2015 T HN 0.613 nan 8.240 nan 0.000 0.437 2016 A N 1.923 124.733 122.820 -0.018 0.000 1.859 2016 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 2016 A C 2.267 179.851 177.584 0.001 0.000 1.198 2016 A CA 1.856 53.869 52.037 -0.040 0.000 0.629 2016 A CB -1.100 17.872 19.000 -0.046 0.000 0.830 2016 A HN 0.414 nan 8.150 nan 0.000 0.446 2017 L N -0.369 120.879 121.223 0.041 0.000 2.012 2017 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 2017 L C 2.598 179.548 176.870 0.132 0.000 1.073 2017 L CA 2.530 57.422 54.840 0.086 0.000 0.748 2017 L CB -1.043 41.095 42.059 0.131 0.000 0.891 2017 L HN 0.551 nan 8.230 nan 0.000 0.431 2018 C N -0.459 118.890 119.300 0.081 0.000 2.446 2018 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 2018 C C 2.728 177.706 174.990 -0.020 0.000 1.275 2018 C CA 0.830 59.829 59.018 -0.030 0.000 1.727 2018 C CB -0.982 26.599 27.740 -0.266 0.000 2.010 2018 C HN 0.623 nan 8.230 nan 0.000 0.486 2019 I N -0.089 120.459 120.570 -0.037 0.000 2.286 2019 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 2019 I C 2.724 178.867 176.117 0.042 0.000 1.115 2019 I CA 1.756 63.015 61.300 -0.069 0.000 1.392 2019 I CB -0.815 36.959 38.000 -0.376 0.000 1.065 2019 I HN 0.578 nan 8.210 nan 0.000 0.418 2020 H N 2.006 121.065 119.070 -0.018 0.000 2.261 2020 H HA -0.188 4.368 4.556 -0.000 0.000 0.301 2020 H C 2.037 177.463 175.328 0.164 0.000 1.067 2020 H CA 2.093 58.176 56.048 0.058 0.000 1.297 2020 H CB -0.067 29.705 29.762 0.015 0.000 1.377 2020 H HN 0.470 nan 8.280 nan 0.000 0.492 2021 E N 0.417 120.792 120.200 0.291 0.000 2.265 2021 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 2021 E C 2.265 178.885 176.600 0.034 0.000 0.996 2021 E CA 0.786 57.354 56.400 0.281 0.000 0.832 2021 E CB -0.262 29.588 29.700 0.251 0.000 0.756 2021 E HN 0.311 nan 8.360 nan 0.000 0.491 2022 R N -0.949 119.494 120.500 -0.096 0.000 2.280 2022 R HA 0.036 4.376 4.340 -0.000 0.000 0.195 2022 R C 0.331 176.215 176.300 -0.693 0.000 0.935 2022 R CA 0.457 56.319 56.100 -0.396 0.000 1.033 2022 R CB 0.368 30.382 30.300 -0.477 0.000 0.964 2022 R HN 0.253 nan 8.270 nan 0.000 0.489 2023 Y N -2.305 117.941 120.300 -0.091 0.000 2.666 2023 Y HA 0.058 4.608 4.550 -0.000 0.000 0.260 2023 Y C 1.415 177.233 175.900 -0.136 0.000 1.089 2023 Y CA -0.203 57.859 58.100 -0.063 0.000 1.246 2023 Y CB 0.139 38.668 38.460 0.115 0.000 1.353 2023 Y HN 0.203 nan 8.280 nan 0.000 0.558 2024 H N -1.108 117.874 119.070 -0.147 0.000 2.457 2024 H HA -0.044 4.512 4.556 -0.000 0.000 0.294 2024 H C 1.795 177.072 175.328 -0.085 0.000 1.064 2024 H CA 1.458 57.364 56.048 -0.236 0.000 1.330 2024 H CB -0.376 29.016 29.762 -0.616 0.000 1.395 2024 H HN 0.082 nan 8.280 nan 0.000 0.541 2025 S N 0.163 115.451 115.700 -0.685 0.000 2.631 2025 S HA 0.074 4.544 4.470 -0.000 0.000 0.217 2025 S C 1.227 175.738 174.600 -0.150 0.000 0.958 2025 S CA 0.131 58.087 58.200 -0.407 0.000 0.920 2025 S CB -0.180 62.720 63.200 -0.500 0.000 0.776 2025 S HN 0.543 nan 8.310 nan 0.000 0.517 2026 V N -2.678 117.195 119.914 -0.068 0.000 3.392 2026 V HA 0.563 4.682 4.120 -0.000 0.000 0.294 2026 V C -0.479 175.643 176.094 0.048 0.000 1.561 2026 V CA -0.474 61.833 62.300 0.011 0.000 1.056 2026 V CB -0.351 31.504 31.823 0.053 0.000 0.882 2026 V HN 0.361 nan 8.190 nan 0.000 0.440 2027 L N 0.735 121.989 121.223 0.052 0.000 2.436 2027 L HA 0.527 4.867 4.340 -0.000 0.000 0.268 2027 L C 0.957 177.858 176.870 0.051 0.000 0.974 2027 L CA -0.194 54.679 54.840 0.055 0.000 0.826 2027 L CB 2.326 44.434 42.059 0.082 0.000 1.291 2027 L HN 0.071 nan 8.230 nan 0.000 0.406 2028 Q N 2.688 122.512 119.800 0.040 0.000 2.020 2028 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 2028 Q C -1.201 174.827 176.000 0.047 0.000 0.974 2028 Q CA 0.784 56.611 55.803 0.041 0.000 0.829 2028 Q CB -0.097 28.659 28.738 0.030 0.000 0.894 2028 Q HN 0.514 nan 8.270 nan 0.000 0.433 2029 P HA 0.194 nan 4.420 nan 0.000 0.213 2029 P C -1.408 175.925 177.300 0.056 0.000 1.861 2029 P CA -0.157 62.969 63.100 0.045 0.000 1.076 2029 P CB 0.223 31.942 31.700 0.032 0.000 1.867 2030 L N 2.150 123.416 121.223 0.071 0.000 2.356 2030 L HA 0.330 4.670 4.340 -0.000 0.000 0.282 2030 L C -0.437 176.482 176.870 0.083 0.000 1.132 2030 L CA -0.213 54.678 54.840 0.085 0.000 0.923 2030 L CB -0.208 41.907 42.059 0.092 0.000 1.278 2030 L HN 0.054 nan 8.230 nan 0.000 0.436 2031 D N 4.808 125.247 120.400 0.066 0.000 2.428 2031 D HA 0.301 4.941 4.640 -0.000 0.000 0.221 2031 D C -0.496 175.826 176.300 0.036 0.000 1.123 2031 D CA -0.159 53.874 54.000 0.056 0.000 0.869 2031 D CB 0.384 41.212 40.800 0.047 0.000 1.032 2031 D HN 0.461 nan 8.370 nan 0.000 0.506 2032 I N 3.814 124.402 120.570 0.031 0.000 2.321 2032 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 2032 I C 0.189 176.277 176.117 -0.049 0.000 0.998 2032 I CA -0.738 60.548 61.300 -0.023 0.000 1.227 2032 I CB 1.201 39.184 38.000 -0.027 0.000 1.368 2032 I HN 0.145 nan 8.210 nan 0.000 0.466 2033 K N 5.112 125.481 120.400 -0.053 0.000 2.318 2033 K HA 0.732 5.052 4.320 -0.000 0.000 0.249 2033 K C -1.267 175.306 176.600 -0.045 0.000 0.942 2033 K CA -0.833 55.465 56.287 0.018 0.000 0.808 2033 K CB 3.059 35.695 32.500 0.227 0.000 1.189 2033 K HN 0.231 nan 8.250 nan 0.000 0.428 2034 V N 2.739 122.659 119.914 0.011 0.000 2.459 2034 V HA 0.355 4.475 4.120 -0.000 0.000 0.295 2034 V C -1.285 175.154 176.094 0.574 0.000 1.029 2034 V CA -0.794 61.566 62.300 0.100 0.000 0.874 2034 V CB 0.733 32.494 31.823 -0.104 0.000 0.985 2034 V HN 0.561 nan 8.190 nan 0.000 0.438 2035 Y N 2.763 123.172 120.300 0.183 0.000 2.341 2035 Y HA 0.840 5.390 4.550 -0.000 0.000 0.338 2035 Y C 0.291 176.232 175.900 0.068 0.000 0.965 2035 Y CA -1.464 56.756 58.100 0.199 0.000 1.108 2035 Y CB 1.952 40.477 38.460 0.107 0.000 1.180 2035 Y HN 0.753 nan 8.280 nan 0.000 0.458 2036 A N 2.085 124.986 122.820 0.136 0.000 2.574 2036 A HA 0.465 4.784 4.320 -0.000 0.000 0.297 2036 A C 0.017 177.444 177.584 -0.262 0.000 1.062 2036 A CA -0.595 51.292 52.037 -0.250 0.000 0.686 2036 A CB 1.340 19.866 19.000 -0.790 0.000 1.285 2036 A HN 0.576 nan 8.150 nan 0.000 0.403 2037 D N 0.125 120.366 120.400 -0.264 0.000 2.234 2037 D HA 0.070 4.709 4.640 -0.000 0.000 0.205 2037 D C 0.540 176.711 176.300 -0.216 0.000 0.962 2037 D CA 1.358 55.233 54.000 -0.209 0.000 0.855 2037 D CB 0.224 40.872 40.800 -0.253 0.000 0.951 2037 D HN 0.525 nan 8.370 nan 0.000 0.500 2038 R N -0.993 119.298 120.500 -0.347 0.000 2.673 2038 R HA 0.471 4.811 4.340 -0.000 0.000 0.281 2038 R C -1.230 174.846 176.300 -0.373 0.000 0.991 2038 R CA -0.691 55.269 56.100 -0.234 0.000 0.896 2038 R CB 1.709 31.894 30.300 -0.192 0.000 1.201 2038 R HN -0.109 nan 8.270 nan 0.000 0.457 2039 F N -0.664 119.269 119.950 -0.028 0.000 2.618 2039 F HA 0.261 4.788 4.527 -0.000 0.000 0.332 2039 F C 1.550 177.329 175.800 -0.034 0.000 1.061 2039 F CA -0.549 57.434 58.000 -0.029 0.000 0.974 2039 F CB 1.799 40.764 39.000 -0.059 0.000 1.310 2039 F HN 0.575 nan 8.300 nan 0.000 0.491 2040 T N 0.306 114.978 114.554 0.195 0.000 3.115 2040 T HA -0.253 4.097 4.350 -0.000 0.000 0.242 2040 T C -1.255 173.478 174.700 0.054 0.000 1.010 2040 T CA 2.430 64.580 62.100 0.085 0.000 1.175 2040 T CB -1.458 67.430 68.868 0.034 0.000 0.794 2040 T HN 0.382 nan 8.240 nan 0.000 0.512 2041 P HA 0.193 nan 4.420 nan 0.000 0.222 2041 P C 0.984 178.305 177.300 0.035 0.000 1.157 2041 P CA 0.697 63.818 63.100 0.035 0.000 0.816 2041 P CB -0.113 31.601 31.700 0.023 0.000 0.813 2042 L N -1.084 120.163 121.223 0.040 0.000 3.017 2042 L HA 0.305 4.645 4.340 -0.000 0.000 0.255 2042 L C 0.854 177.744 176.870 0.033 0.000 1.247 2042 L CA -0.353 54.505 54.840 0.030 0.000 1.038 2042 L CB -0.623 41.449 42.059 0.021 0.000 1.380 2042 L HN -0.077 nan 8.230 nan 0.000 0.548 2043 T N -4.370 110.210 114.554 0.044 0.000 2.847 2043 T HA 0.189 4.539 4.350 -0.000 0.000 0.279 2043 T C 1.261 176.028 174.700 0.113 0.000 0.984 2043 T CA -0.027 62.117 62.100 0.075 0.000 0.988 2043 T CB 1.514 70.418 68.868 0.059 0.000 1.040 2043 T HN 0.085 nan 8.240 nan 0.000 0.528 2044 T N 1.349 116.017 114.554 0.190 0.000 2.746 2044 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 2044 T C 2.129 176.862 174.700 0.055 0.000 1.039 2044 T CA 1.952 64.126 62.100 0.124 0.000 1.142 2044 T CB -1.048 67.906 68.868 0.144 0.000 0.866 2044 T HN 0.838 nan 8.240 nan 0.000 0.444 2045 T N 2.271 116.864 114.554 0.065 0.000 2.802 2045 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 2045 T C 1.491 176.215 174.700 0.041 0.000 1.062 2045 T CA 1.281 63.408 62.100 0.045 0.000 1.133 2045 T CB -0.406 68.494 68.868 0.054 0.000 0.852 2045 T HN 0.449 nan 8.240 nan 0.000 0.485 2046 D N 0.482 120.907 120.400 0.043 0.000 2.277 2046 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 2046 D C 1.852 178.167 176.300 0.027 0.000 0.962 2046 D CA 0.598 54.622 54.000 0.039 0.000 0.865 2046 D CB 0.138 40.961 40.800 0.039 0.000 0.939 2046 D HN 0.306 nan 8.370 nan 0.000 0.510 2047 V N 0.874 120.796 119.914 0.013 0.000 3.541 2047 V HA 0.116 4.236 4.120 -0.000 0.000 0.267 2047 V C 1.036 177.133 176.094 0.005 0.000 1.213 2047 V CA 0.084 62.385 62.300 0.002 0.000 1.149 2047 V CB -0.284 31.521 31.823 -0.029 0.000 0.822 2047 V HN 0.054 nan 8.190 nan 0.000 0.462 2048 A N 0.280 123.101 122.820 0.000 0.000 2.320 2048 A HA 0.686 5.006 4.320 -0.000 0.000 0.287 2048 A C 1.505 179.089 177.584 0.000 0.000 1.181 2048 A CA 0.374 52.402 52.037 -0.015 0.000 0.831 2048 A CB 0.856 19.836 19.000 -0.033 0.000 1.102 2048 A HN 0.399 nan 8.150 nan 0.000 0.513 2049 A N 2.253 125.074 122.820 0.001 0.000 1.972 2049 A HA 0.338 4.658 4.320 -0.000 0.000 0.219 2049 A C 1.868 179.437 177.584 -0.026 0.000 1.169 2049 A CA 1.747 53.792 52.037 0.015 0.000 0.635 2049 A CB -0.711 18.312 19.000 0.038 0.000 0.810 2049 A HN 2.587 nan 8.150 nan 0.000 0.446 2050 G N -2.443 106.317 108.800 -0.068 0.000 2.159 2050 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.227 2050 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.227 2050 G C 0.066 174.887 174.900 -0.131 0.000 0.986 2050 G CA 0.094 45.143 45.100 -0.086 0.000 0.651 2050 G HN 0.939 nan 8.290 nan 0.000 0.523 2051 L N 0.685 121.807 121.223 -0.169 0.000 2.559 2051 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 2051 L C 0.660 177.437 176.870 -0.155 0.000 1.205 2051 L CA -0.624 54.082 54.840 -0.223 0.000 0.907 2051 L CB 0.136 41.995 42.059 -0.334 0.000 1.153 2051 L HN 0.246 nan 8.230 nan 0.000 0.490 2052 W N 7.250 128.397 121.300 -0.256 0.000 2.356 2052 W HA 0.432 5.092 4.660 -0.000 0.000 0.311 2052 W C -0.194 176.169 176.519 -0.260 0.000 1.328 2052 W CA 0.015 57.254 57.345 -0.178 0.000 1.251 2052 W CB 0.157 29.576 29.460 -0.067 0.000 1.280 2052 W HN 0.653 nan 8.180 nan 0.000 0.524 2053 Q N 6.788 126.100 119.800 -0.813 0.000 3.067 2053 Q HA 0.088 4.428 4.340 -0.000 0.000 0.196 2053 Q C -2.605 172.862 176.000 -0.889 0.000 0.878 2053 Q CA -1.032 54.202 55.803 -0.949 0.000 1.278 2053 Q CB 0.908 29.370 28.738 -0.460 0.000 1.633 2053 Q HN 0.183 nan 8.270 nan 0.000 0.621 2054 P HA 0.139 nan 4.420 nan 0.000 0.302 2054 P C -0.516 176.600 177.300 -0.306 0.000 1.301 2054 P CA -0.268 62.369 63.100 -0.771 0.000 0.745 2054 P CB 0.319 31.568 31.700 -0.753 0.000 1.331 2055 Y N -1.111 119.052 120.300 -0.228 0.000 2.245 2055 Y HA -0.004 4.546 4.550 -0.000 0.000 0.355 2055 Y C 2.027 178.029 175.900 0.170 0.000 1.278 2055 Y CA 0.095 58.154 58.100 -0.068 0.000 1.593 2055 Y CB -1.009 37.373 38.460 -0.130 0.000 1.393 2055 Y HN 0.144 nan 8.280 nan 0.000 0.662 2056 L N -0.140 121.273 121.223 0.316 0.000 2.131 2056 L HA -0.006 4.334 4.340 -0.000 0.000 0.206 2056 L C 0.472 177.456 176.870 0.190 0.000 1.087 2056 L CA 1.022 56.056 54.840 0.323 0.000 0.767 2056 L CB -0.392 41.785 42.059 0.197 0.000 0.917 2056 L HN 0.497 nan 8.230 nan 0.000 0.441 2057 S N -1.778 113.993 115.700 0.118 0.000 2.526 2057 S HA 0.321 4.790 4.470 -0.000 0.000 0.293 2057 S C -0.851 173.777 174.600 0.046 0.000 1.092 2057 S CA -1.122 57.103 58.200 0.043 0.000 0.980 2057 S CB 1.753 64.954 63.200 0.003 0.000 1.048 2057 S HN -0.007 nan 8.310 nan 0.000 0.483 2058 D N 3.419 123.823 120.400 0.007 0.000 3.450 2058 D HA 0.020 4.660 4.640 -0.000 0.000 0.202 2058 D C -1.786 174.517 176.300 0.005 0.000 1.070 2058 D CA 0.357 54.351 54.000 -0.010 0.000 0.743 2058 D CB -0.214 40.565 40.800 -0.036 0.000 1.157 2058 D HN 0.389 nan 8.370 nan 0.000 0.557 2059 P HA 0.132 nan 4.420 nan 0.000 0.289 2059 P C 0.909 178.208 177.300 -0.002 0.000 1.299 2059 P CA -0.633 62.482 63.100 0.026 0.000 0.766 2059 P CB 0.673 32.371 31.700 -0.004 0.000 1.226 2060 N N -0.601 118.108 118.700 0.015 0.000 2.512 2060 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 2060 N C -0.030 175.460 175.510 -0.034 0.000 1.073 2060 N CA 0.782 53.830 53.050 -0.003 0.000 0.911 2060 N CB -0.243 38.253 38.487 0.014 0.000 0.964 2060 N HN 0.313 nan 8.380 nan 0.000 0.447 2061 N N 0.443 119.107 118.700 -0.059 0.000 2.483 2061 N HA 0.208 4.948 4.740 -0.000 0.000 0.267 2061 N C -2.040 173.359 175.510 -0.185 0.000 0.998 2061 N CA -2.005 50.969 53.050 -0.126 0.000 0.918 2061 N CB 1.875 40.273 38.487 -0.148 0.000 1.215 2061 N HN -0.094 nan 8.380 nan 0.000 0.500 2062 P HA -0.089 nan 4.420 nan 0.000 0.233 2062 P C 0.930 178.048 177.300 -0.303 0.000 1.167 2062 P CA 0.735 63.723 63.100 -0.187 0.000 0.770 2062 P CB 0.618 32.238 31.700 -0.134 0.000 0.837 2063 Q N 0.430 119.968 119.800 -0.438 0.000 2.234 2063 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 2063 Q C 2.013 177.234 176.000 -1.299 0.000 0.980 2063 Q CA 1.308 56.644 55.803 -0.778 0.000 0.869 2063 Q CB -0.165 28.096 28.738 -0.795 0.000 0.912 2063 Q HN 0.364 nan 8.270 nan 0.000 0.436 2064 E N -0.412 119.271 120.200 -0.861 0.000 2.072 2064 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 2064 E C 1.918 178.414 176.600 -0.174 0.000 0.985 2064 E CA 0.802 56.951 56.400 -0.418 0.000 0.801 2064 E CB -0.116 29.506 29.700 -0.129 0.000 0.750 2064 E HN 0.423 nan 8.360 nan 0.000 0.452 2065 A N 1.761 124.474 122.820 -0.179 0.000 1.948 2065 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 2065 A C 1.630 179.214 177.584 0.000 0.000 1.177 2065 A CA 2.100 54.099 52.037 -0.063 0.000 0.636 2065 A CB -0.503 18.460 19.000 -0.063 0.000 0.815 2065 A HN 0.126 nan 8.150 nan 0.000 0.449 2066 D N -1.119 119.228 120.400 -0.090 0.000 2.097 2066 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 2066 D C 1.754 178.167 176.300 0.188 0.000 0.989 2066 D CA 1.064 55.064 54.000 0.000 0.000 0.827 2066 D CB -0.359 40.384 40.800 -0.096 0.000 0.966 2066 D HN 0.663 nan 8.370 nan 0.000 0.456 2067 W N 1.469 122.830 121.300 0.102 0.000 2.335 2067 W HA -0.082 4.578 4.660 -0.000 0.000 0.311 2067 W C 2.627 179.262 176.519 0.193 0.000 1.213 2067 W CA 0.663 58.086 57.345 0.130 0.000 1.274 2067 W CB -1.463 28.067 29.460 0.117 0.000 1.148 2067 W HN -0.047 nan 8.180 nan 0.000 0.498 2068 S N 0.017 115.956 115.700 0.398 0.000 2.368 2068 S HA -0.270 4.200 4.470 -0.000 0.000 0.225 2068 S C 1.739 176.729 174.600 0.651 0.000 1.030 2068 S CA 1.881 60.338 58.200 0.430 0.000 0.999 2068 S CB -0.565 62.727 63.200 0.154 0.000 0.844 2068 S HN 0.283 nan 8.310 nan 0.000 0.459 2069 Q N 1.600 121.664 119.800 0.440 0.000 2.061 2069 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 2069 Q C 2.045 178.234 176.000 0.314 0.000 0.984 2069 Q CA 1.834 57.823 55.803 0.310 0.000 0.846 2069 Q CB -0.425 28.421 28.738 0.180 0.000 0.902 2069 Q HN 0.610 nan 8.270 nan 0.000 0.421 2070 Q N -0.925 119.076 119.800 0.336 0.000 2.084 2070 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 2070 Q C 2.150 178.409 176.000 0.432 0.000 0.978 2070 Q CA 1.894 57.907 55.803 0.350 0.000 0.844 2070 Q CB -0.128 28.813 28.738 0.338 0.000 0.898 2070 Q HN 0.424 nan 8.270 nan 0.000 0.426 2071 T N 0.885 115.706 114.554 0.446 0.000 2.684 2071 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 2071 T C 1.378 176.214 174.700 0.227 0.000 1.036 2071 T CA 1.239 63.562 62.100 0.372 0.000 1.148 2071 T CB -0.468 68.576 68.868 0.294 0.000 0.863 2071 T HN 0.250 nan 8.240 nan 0.000 0.436 2072 F N 2.333 122.315 119.950 0.054 0.000 2.091 2072 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 2072 F C 2.065 177.734 175.800 -0.218 0.000 1.103 2072 F CA 1.664 59.437 58.000 -0.379 0.000 1.228 2072 F CB -0.196 38.313 39.000 -0.818 0.000 0.984 2072 F HN 0.105 nan 8.300 nan 0.000 0.477 2073 D N -0.860 119.657 120.400 0.195 0.000 2.084 2073 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 2073 D C 1.991 178.333 176.300 0.070 0.000 0.985 2073 D CA 1.562 55.646 54.000 0.139 0.000 0.826 2073 D CB -1.144 39.767 40.800 0.186 0.000 0.978 2073 D HN 0.383 nan 8.370 nan 0.000 0.456 2074 Y N 1.905 122.219 120.300 0.024 0.000 2.102 2074 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 2074 Y C 2.219 178.051 175.900 -0.114 0.000 1.178 2074 Y CA 1.410 59.489 58.100 -0.035 0.000 1.146 2074 Y CB -0.618 37.717 38.460 -0.208 0.000 0.968 2074 Y HN -0.077 nan 8.280 nan 0.000 0.504 2075 L N -0.996 119.969 121.223 -0.430 0.000 2.027 2075 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 2075 L C 2.448 179.043 176.870 -0.459 0.000 1.074 2075 L CA 1.213 55.716 54.840 -0.561 0.000 0.745 2075 L CB -0.797 40.958 42.059 -0.507 0.000 0.898 2075 L HN 0.306 nan 8.230 nan 0.000 0.433 2076 L N 0.179 121.118 121.223 -0.473 0.000 2.131 2076 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 2076 L C 2.593 179.314 176.870 -0.249 0.000 1.092 2076 L CA 1.910 56.514 54.840 -0.393 0.000 0.759 2076 L CB -0.452 41.391 42.059 -0.360 0.000 0.903 2076 L HN 0.327 nan 8.230 nan 0.000 0.435 2077 S N -2.912 112.657 115.700 -0.218 0.000 2.607 2077 S HA -0.067 4.402 4.470 -0.000 0.000 0.224 2077 S C 1.081 175.409 174.600 -0.453 0.000 0.969 2077 S CA 0.741 58.788 58.200 -0.255 0.000 0.927 2077 S CB -0.681 62.409 63.200 -0.184 0.000 0.772 2077 S HN 0.679 nan 8.310 nan 0.000 0.533 2078 H N -1.098 117.797 119.070 -0.292 0.000 3.233 2078 H HA 0.391 4.947 4.556 -0.000 0.000 0.263 2078 H C 1.489 176.690 175.328 -0.212 0.000 1.168 2078 H CA 0.074 55.957 56.048 -0.275 0.000 1.159 2078 H CB 0.673 30.172 29.762 -0.438 0.000 1.593 2078 H HN 0.254 nan 8.280 nan 0.000 0.580 2079 V N 0.242 120.102 119.914 -0.091 0.000 2.594 2079 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 2079 V C 1.054 177.220 176.094 0.119 0.000 1.069 2079 V CA 2.035 64.323 62.300 -0.019 0.000 1.082 2079 V CB -0.129 31.680 31.823 -0.023 0.000 0.680 2079 V HN 0.496 nan 8.190 nan 0.000 0.469 2080 H N -0.675 118.334 119.070 -0.101 0.000 2.520 2080 H HA 0.411 4.967 4.556 -0.000 0.000 0.284 2080 H C 1.060 176.349 175.328 -0.065 0.000 1.037 2080 H CA 0.366 56.371 56.048 -0.072 0.000 1.168 2080 H CB 0.146 29.869 29.762 -0.065 0.000 1.497 2080 H HN 0.433 nan 8.280 nan 0.000 0.547 2081 S N 1.377 117.087 115.700 0.017 0.000 2.592 2081 S HA 0.098 4.568 4.470 -0.000 0.000 0.271 2081 S C -1.188 173.406 174.600 -0.010 0.000 1.326 2081 S CA -1.304 56.898 58.200 0.004 0.000 1.024 2081 S CB 0.944 64.163 63.200 0.031 0.000 0.921 2081 S HN 0.148 nan 8.310 nan 0.000 0.527 2082 P HA -0.023 nan 4.420 nan 0.000 0.230 2082 P C 0.645 177.948 177.300 0.005 0.000 1.158 2082 P CA 0.697 63.797 63.100 -0.000 0.000 0.769 2082 P CB -0.032 31.677 31.700 0.015 0.000 0.807 2083 N N 0.316 119.022 118.700 0.009 0.000 2.300 2083 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 2083 N C 1.877 177.317 175.510 -0.116 0.000 1.016 2083 N CA 1.022 54.062 53.050 -0.016 0.000 0.876 2083 N CB -0.331 38.149 38.487 -0.011 0.000 0.979 2083 N HN 0.059 nan 8.380 nan 0.000 0.432 2084 A N 1.876 124.627 122.820 -0.114 0.000 1.909 2084 A HA -0.276 4.044 4.320 -0.000 0.000 0.221 2084 A C 2.103 179.614 177.584 -0.122 0.000 1.223 2084 A CA 1.787 53.739 52.037 -0.143 0.000 0.658 2084 A CB -0.811 18.134 19.000 -0.092 0.000 0.831 2084 A HN 0.358 nan 8.150 nan 0.000 0.462 2085 E N -0.650 119.507 120.200 -0.072 0.000 2.058 2085 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 2085 E C 1.846 178.429 176.600 -0.028 0.000 0.997 2085 E CA 1.405 57.780 56.400 -0.042 0.000 0.801 2085 E CB -0.218 29.463 29.700 -0.031 0.000 0.746 2085 E HN 0.631 nan 8.360 nan 0.000 0.450 2086 N N 0.498 119.187 118.700 -0.019 0.000 2.149 2086 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 2086 N C 1.818 177.328 175.510 -0.001 0.000 1.019 2086 N CA 0.809 53.889 53.050 0.051 0.000 0.857 2086 N CB -0.302 38.302 38.487 0.194 0.000 0.997 2086 N HN 0.120 nan 8.380 nan 0.000 0.426 2087 L N -0.253 120.830 121.223 -0.233 0.000 2.291 2087 L HA 0.100 4.440 4.340 -0.000 0.000 0.214 2087 L C 1.265 178.102 176.870 -0.055 0.000 1.120 2087 L CA 0.940 55.625 54.840 -0.258 0.000 0.799 2087 L CB -0.594 41.129 42.059 -0.560 0.000 0.925 2087 L HN 0.317 nan 8.230 nan 0.000 0.446 2088 G N 0.126 108.905 108.800 -0.036 0.000 2.212 2088 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.255 2088 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.255 2088 G C -0.055 174.870 174.900 0.042 0.000 1.062 2088 G CA 0.091 45.216 45.100 0.043 0.000 0.815 2088 G HN 0.202 nan 8.290 nan 0.000 0.497 2089 L N 0.742 121.955 121.223 -0.017 0.000 2.319 2089 L HA 0.842 5.182 4.340 -0.000 0.000 0.281 2089 L C -0.002 176.886 176.870 0.029 0.000 1.005 2089 L CA -1.162 53.605 54.840 -0.121 0.000 0.828 2089 L CB 0.664 42.569 42.059 -0.257 0.000 1.227 2089 L HN 0.321 nan 8.230 nan 0.000 0.415 2090 F N 3.226 123.096 119.950 -0.134 0.000 2.692 2090 F HA 0.647 5.174 4.527 -0.000 0.000 0.320 2090 F C -1.641 174.107 175.800 -0.087 0.000 1.123 2090 F CA -1.303 56.636 58.000 -0.101 0.000 0.961 2090 F CB 1.041 39.995 39.000 -0.078 0.000 1.383 2090 F HN 0.139 nan 8.300 nan 0.000 0.483 2091 L N 2.423 123.690 121.223 0.072 0.000 2.334 2091 L HA 0.634 4.974 4.340 -0.000 0.000 0.277 2091 L C -0.647 176.289 176.870 0.109 0.000 1.075 2091 L CA -0.620 54.220 54.840 0.001 0.000 0.804 2091 L CB 1.662 43.757 42.059 0.060 0.000 1.174 2091 L HN 0.714 nan 8.230 nan 0.000 0.438 2092 I N 1.421 122.020 120.570 0.050 0.000 2.586 2092 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 2092 I C -0.724 175.471 176.117 0.130 0.000 1.147 2092 I CA 0.071 61.453 61.300 0.138 0.000 1.047 2092 I CB 1.780 39.907 38.000 0.211 0.000 1.244 2092 I HN 0.578 nan 8.210 nan 0.000 0.429 2093 S N 4.237 119.881 115.700 -0.094 0.000 2.646 2093 S HA 0.974 5.444 4.470 -0.000 0.000 0.276 2093 S C -0.010 173.968 174.600 -1.036 0.000 1.222 2093 S CA -0.317 57.612 58.200 -0.450 0.000 1.014 2093 S CB 1.782 64.821 63.200 -0.268 0.000 0.991 2093 S HN 0.942 nan 8.310 nan 0.000 0.533 2094 G N 0.192 107.854 108.800 -1.897 0.000 2.368 2094 G HA2 0.458 4.418 3.960 -0.000 0.000 0.293 2094 G HA3 0.458 4.418 3.960 -0.000 0.000 0.293 2094 G C -2.282 171.713 174.900 -1.508 0.000 1.467 2094 G CA -0.869 42.986 45.100 -2.075 0.000 0.804 2094 G HN 0.495 nan 8.290 nan 0.000 0.535 2095 Y N 0.521 120.538 120.300 -0.471 0.000 2.323 2095 Y HA 0.533 5.082 4.550 -0.000 0.000 0.331 2095 Y C 0.647 176.541 175.900 -0.009 0.000 1.092 2095 Y CA -0.804 57.239 58.100 -0.095 0.000 1.150 2095 Y CB 1.556 39.978 38.460 -0.064 0.000 1.200 2095 Y HN 0.265 nan 8.280 nan 0.000 0.472 2096 N N 3.731 122.588 118.700 0.262 0.000 2.446 2096 N HA 0.427 5.167 4.740 -0.000 0.000 0.265 2096 N C -1.413 173.954 175.510 -0.239 0.000 0.975 2096 N CA -0.325 52.789 53.050 0.108 0.000 0.928 2096 N CB 1.164 39.923 38.487 0.452 0.000 1.160 2096 N HN 0.581 nan 8.380 nan 0.000 0.495 2097 L N 2.807 123.668 121.223 -0.603 0.000 2.331 2097 L HA 0.652 4.991 4.340 -0.000 0.000 0.275 2097 L C -0.682 175.691 176.870 -0.828 0.000 1.022 2097 L CA -0.668 53.757 54.840 -0.692 0.000 0.812 2097 L CB 0.999 42.382 42.059 -1.127 0.000 1.257 2097 L HN 0.331 nan 8.230 nan 0.000 0.435 2098 F N -0.832 119.054 119.950 -0.107 0.000 2.662 2098 F HA 0.402 4.929 4.527 -0.000 0.000 0.312 2098 F C 0.842 176.743 175.800 0.168 0.000 1.113 2098 F CA -0.736 57.294 58.000 0.050 0.000 0.951 2098 F CB 1.345 40.381 39.000 0.061 0.000 1.344 2098 F HN 0.377 nan 8.300 nan 0.000 0.462 2099 H N -0.458 118.883 119.070 0.451 0.000 2.344 2099 H HA 0.198 4.753 4.556 -0.000 0.000 0.307 2099 H C 0.195 175.635 175.328 0.186 0.000 1.057 2099 H CA 1.005 57.198 56.048 0.242 0.000 1.373 2099 H CB 0.448 30.281 29.762 0.119 0.000 1.421 2099 H HN 0.416 nan 8.280 nan 0.000 0.532 2100 E N 0.302 120.665 120.200 0.272 0.000 2.405 2100 E HA 0.513 4.863 4.350 -0.000 0.000 0.249 2100 E C 0.078 176.646 176.600 -0.053 0.000 1.028 2100 E CA -0.919 55.536 56.400 0.092 0.000 0.897 2100 E CB 1.126 30.841 29.700 0.024 0.000 1.262 2100 E HN 0.192 nan 8.360 nan 0.000 0.442 2101 A N 0.387 122.997 122.820 -0.350 0.000 2.409 2101 A HA 0.411 4.731 4.320 -0.000 0.000 0.246 2101 A C -0.167 177.133 177.584 -0.474 0.000 1.099 2101 A CA 0.225 51.730 52.037 -0.887 0.000 0.789 2101 A CB 0.131 18.689 19.000 -0.736 0.000 1.053 2101 A HN 0.406 nan 8.150 nan 0.000 0.503 2102 I N -0.443 119.867 120.570 -0.432 0.000 2.800 2102 I HA 0.434 4.603 4.170 -0.000 0.000 0.294 2102 I C -2.584 173.519 176.117 -0.023 0.000 1.538 2102 I CA -1.328 59.849 61.300 -0.206 0.000 1.010 2102 I CB 2.219 39.990 38.000 -0.382 0.000 1.381 2102 I HN 0.482 nan 8.210 nan 0.000 0.462 2103 P HA 0.242 nan 4.420 nan 0.000 0.268 2103 P C -1.119 176.205 177.300 0.039 0.000 1.205 2103 P CA -0.124 62.977 63.100 0.001 0.000 0.771 2103 P CB 0.280 31.951 31.700 -0.048 0.000 0.858 2104 D N 2.662 123.014 120.400 -0.079 0.000 2.429 2104 D HA 0.016 4.656 4.640 -0.000 0.000 0.233 2104 D C -1.937 173.971 176.300 -0.654 0.000 1.202 2104 D CA -0.110 53.632 54.000 -0.431 0.000 0.879 2104 D CB -0.522 40.018 40.800 -0.434 0.000 1.212 2104 D HN 0.300 nan 8.370 nan 0.000 0.465 2105 P HA 0.102 nan 4.420 nan 0.000 0.288 2105 P C 0.414 177.103 177.300 -1.019 0.000 1.267 2105 P CA -0.442 61.911 63.100 -1.246 0.000 0.815 2105 P CB 1.340 31.603 31.700 -2.394 0.000 0.989 2106 S N 2.268 117.607 115.700 -0.602 0.000 2.407 2106 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 2106 S C 1.349 175.758 174.600 -0.318 0.000 1.036 2106 S CA 0.981 58.970 58.200 -0.351 0.000 1.013 2106 S CB -1.264 61.851 63.200 -0.143 0.000 0.820 2106 S HN 0.707 nan 8.310 nan 0.000 0.476 2107 W N 2.862 124.000 121.300 -0.269 0.000 3.345 2107 W HA 0.302 4.962 4.660 -0.000 0.000 0.282 2107 W C 1.377 177.658 176.519 -0.397 0.000 1.302 2107 W CA 0.156 57.366 57.345 -0.225 0.000 1.724 2107 W CB -0.699 28.750 29.460 -0.018 0.000 1.104 2107 W HN 0.537 nan 8.180 nan 0.000 0.694 2108 K N 1.049 120.978 120.400 -0.785 0.000 2.281 2108 K HA -0.218 4.102 4.320 -0.000 0.000 0.203 2108 K C 0.799 177.141 176.600 -0.429 0.000 1.046 2108 K CA 1.972 57.633 56.287 -1.044 0.000 0.938 2108 K CB -0.326 31.252 32.500 -1.538 0.000 0.737 2108 K HN -0.116 nan 8.250 nan 0.000 0.458 2109 D N 0.481 120.711 120.400 -0.283 0.000 2.327 2109 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 2109 D C 1.369 177.565 176.300 -0.173 0.000 0.989 2109 D CA 0.963 54.862 54.000 -0.168 0.000 0.873 2109 D CB 0.278 40.996 40.800 -0.137 0.000 0.955 2109 D HN 0.300 nan 8.370 nan 0.000 0.515 2110 T N 0.700 115.118 114.554 -0.226 0.000 2.809 2110 T HA -0.010 4.340 4.350 -0.000 0.000 0.260 2110 T C 1.435 175.637 174.700 -0.830 0.000 1.039 2110 T CA 0.509 62.326 62.100 -0.472 0.000 1.141 2110 T CB -0.205 68.364 68.868 -0.497 0.000 0.869 2110 T HN 0.076 nan 8.240 nan 0.000 0.437 2111 V N 0.631 120.206 119.914 -0.564 0.000 3.376 2111 V HA 0.339 4.459 4.120 -0.000 0.000 0.303 2111 V C 0.074 176.148 176.094 -0.033 0.000 1.100 2111 V CA -1.181 60.912 62.300 -0.346 0.000 1.126 2111 V CB -0.137 31.790 31.823 0.173 0.000 1.085 2111 V HN 0.053 nan 8.190 nan 0.000 0.480 2112 L N 3.364 124.691 121.223 0.174 0.000 2.281 2112 L HA 0.635 4.975 4.340 -0.000 0.000 0.285 2112 L C 1.246 178.244 176.870 0.214 0.000 1.074 2112 L CA 1.284 56.229 54.840 0.175 0.000 0.817 2112 L CB -0.154 42.017 42.059 0.186 0.000 1.168 2112 L HN 1.274 nan 8.230 nan 0.000 0.434 2113 G N 3.397 112.301 108.800 0.173 0.000 2.295 2113 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.287 2113 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.287 2113 G C 0.212 175.256 174.900 0.241 0.000 1.055 2113 G CA 0.065 45.276 45.100 0.185 0.000 0.922 2113 G HN 0.543 nan 8.290 nan 0.000 0.503 2114 F N 1.137 121.146 119.950 0.098 0.000 2.607 2114 F HA 0.485 5.012 4.527 -0.000 0.000 0.374 2114 F C 0.995 176.835 175.800 0.067 0.000 1.104 2114 F CA 0.782 58.821 58.000 0.065 0.000 1.296 2114 F CB 0.488 39.404 39.000 -0.141 0.000 1.085 2114 F HN 0.756 nan 8.300 nan 0.000 0.584 2115 R N 3.805 123.817 120.500 -0.814 0.000 2.756 2115 R HA 0.558 4.898 4.340 -0.000 0.000 0.273 2115 R C -1.982 173.982 176.300 -0.560 0.000 1.030 2115 R CA -1.352 54.424 56.100 -0.541 0.000 0.887 2115 R CB 1.081 31.303 30.300 -0.131 0.000 1.274 2115 R HN 0.488 nan 8.270 nan 0.000 0.461 2116 K N 0.786 121.051 120.400 -0.225 0.000 2.208 2116 K HA 0.430 4.750 4.320 -0.000 0.000 0.247 2116 K C -0.584 176.014 176.600 -0.004 0.000 0.953 2116 K CA -0.909 55.334 56.287 -0.074 0.000 0.837 2116 K CB 1.883 34.386 32.500 0.004 0.000 1.131 2116 K HN 0.332 nan 8.250 nan 0.000 0.431 2117 L N 3.090 124.324 121.223 0.019 0.000 2.500 2117 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 2117 L C 0.879 177.773 176.870 0.040 0.000 1.149 2117 L CA -0.203 54.676 54.840 0.066 0.000 0.897 2117 L CB -0.191 41.937 42.059 0.115 0.000 1.178 2117 L HN 0.779 nan 8.230 nan 0.000 0.473 2118 T N 1.068 115.634 114.554 0.020 0.000 2.932 2118 T HA 0.071 4.421 4.350 -0.000 0.000 0.312 2118 T C -1.616 173.098 174.700 0.023 0.000 1.071 2118 T CA -1.346 60.761 62.100 0.013 0.000 1.128 2118 T CB 0.791 69.649 68.868 -0.016 0.000 0.984 2118 T HN 0.345 nan 8.240 nan 0.000 0.549 2119 P HA -0.204 nan 4.420 nan 0.000 0.216 2119 P C 1.661 178.963 177.300 0.004 0.000 1.167 2119 P CA 1.482 64.599 63.100 0.029 0.000 0.933 2119 P CB -0.006 31.708 31.700 0.023 0.000 0.793 2120 R N -0.343 120.146 120.500 -0.018 0.000 2.139 2120 R HA -0.170 4.170 4.340 -0.000 0.000 0.243 2120 R C 2.309 178.559 176.300 -0.084 0.000 1.145 2120 R CA 1.426 57.497 56.100 -0.047 0.000 0.976 2120 R CB -0.687 29.583 30.300 -0.050 0.000 0.866 2120 R HN 0.428 nan 8.270 nan 0.000 0.449 2121 E N 0.647 120.807 120.200 -0.067 0.000 2.077 2121 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 2121 E C 1.919 178.456 176.600 -0.105 0.000 0.989 2121 E CA 1.073 57.410 56.400 -0.105 0.000 0.800 2121 E CB -0.144 29.559 29.700 0.005 0.000 0.746 2121 E HN 0.347 nan 8.360 nan 0.000 0.452 2122 L N 1.286 122.519 121.223 0.017 0.000 2.362 2122 L HA -0.155 4.185 4.340 -0.000 0.000 0.219 2122 L C 1.673 178.562 176.870 0.031 0.000 1.134 2122 L CA 0.514 55.417 54.840 0.106 0.000 0.807 2122 L CB -0.332 41.804 42.059 0.129 0.000 0.927 2122 L HN 0.006 nan 8.230 nan 0.000 0.447 2123 D N 0.307 120.672 120.400 -0.058 0.000 2.117 2123 D HA -0.188 4.451 4.640 -0.000 0.000 0.197 2123 D C 2.266 178.461 176.300 -0.176 0.000 0.987 2123 D CA 1.356 55.306 54.000 -0.084 0.000 0.829 2123 D CB -0.153 40.596 40.800 -0.086 0.000 0.961 2123 D HN 0.298 nan 8.370 nan 0.000 0.460 2124 M N -0.721 118.654 119.600 -0.375 0.000 2.358 2124 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 2124 M C -0.076 175.798 176.300 -0.710 0.000 1.064 2124 M CA 0.904 55.814 55.300 -0.650 0.000 1.093 2124 M CB 0.029 32.007 32.600 -1.037 0.000 1.401 2124 M HN -0.113 nan 8.290 nan 0.000 0.440 2125 F N -0.392 119.521 119.950 -0.061 0.000 2.449 2125 F HA 0.320 4.847 4.527 -0.000 0.000 0.329 2125 F C -1.702 174.150 175.800 0.087 0.000 1.245 2125 F CA -2.822 55.189 58.000 0.018 0.000 1.193 2125 F CB -0.285 38.711 39.000 -0.007 0.000 1.425 2125 F HN -0.127 nan 8.300 nan 0.000 0.544 2126 P HA -0.189 nan 4.420 nan 0.000 0.216 2126 P C 0.766 178.132 177.300 0.109 0.000 1.150 2126 P CA 1.501 64.665 63.100 0.108 0.000 0.843 2126 P CB 0.420 32.153 31.700 0.054 0.000 0.787 2127 D N -1.805 118.658 120.400 0.105 0.000 2.392 2127 D HA -0.054 4.586 4.640 -0.000 0.000 0.228 2127 D C 0.265 176.356 176.300 -0.348 0.000 1.003 2127 D CA 0.872 54.814 54.000 -0.096 0.000 0.917 2127 D CB -0.458 40.246 40.800 -0.160 0.000 0.890 2127 D HN 0.312 nan 8.370 nan 0.000 0.532 2128 Y N -1.665 118.701 120.300 0.110 0.000 2.524 2128 Y HA 0.546 5.095 4.550 -0.000 0.000 0.344 2128 Y C 1.417 177.396 175.900 0.131 0.000 1.012 2128 Y CA -0.899 57.244 58.100 0.072 0.000 1.068 2128 Y CB 2.444 40.872 38.460 -0.053 0.000 1.249 2128 Y HN -0.220 nan 8.280 nan 0.000 0.468 2129 G N -0.028 108.956 108.800 0.307 0.000 2.833 2129 G HA2 0.095 4.054 3.960 -0.000 0.000 0.214 2129 G HA3 0.095 4.054 3.960 -0.000 0.000 0.214 2129 G C -1.115 173.987 174.900 0.336 0.000 1.075 2129 G CA 0.328 45.586 45.100 0.263 0.000 0.799 2129 G HN 0.490 nan 8.290 nan 0.000 0.541 2130 Y N -0.606 119.816 120.300 0.202 0.000 2.609 2130 Y HA 0.584 5.134 4.550 -0.000 0.000 0.336 2130 Y C -0.144 175.897 175.900 0.234 0.000 1.129 2130 Y CA -0.294 57.914 58.100 0.180 0.000 1.040 2130 Y CB 1.732 40.267 38.460 0.125 0.000 1.310 2130 Y HN 0.395 nan 8.280 nan 0.000 0.460 2131 G N 0.950 109.437 108.800 -0.522 0.000 2.322 2131 G HA2 0.333 4.293 3.960 -0.000 0.000 0.295 2131 G HA3 0.333 4.293 3.960 -0.000 0.000 0.295 2131 G C -2.342 172.428 174.900 -0.217 0.000 1.369 2131 G CA -1.007 43.945 45.100 -0.246 0.000 0.821 2131 G HN 0.505 nan 8.290 nan 0.000 0.536 2132 W N -0.800 120.606 121.300 0.177 0.000 2.578 2132 W HA 0.818 5.478 4.660 -0.000 0.000 0.364 2132 W C -0.812 175.863 176.519 0.260 0.000 1.144 2132 W CA -1.622 55.797 57.345 0.123 0.000 1.242 2132 W CB 1.363 31.026 29.460 0.337 0.000 1.382 2132 W HN 0.463 nan 8.180 nan 0.000 0.625 2133 F N 2.438 122.539 119.950 0.251 0.000 2.578 2133 F HA 0.527 5.054 4.527 -0.000 0.000 0.311 2133 F C -0.416 175.529 175.800 0.241 0.000 1.094 2133 F CA -0.361 57.723 58.000 0.140 0.000 0.923 2133 F CB 1.287 40.279 39.000 -0.013 0.000 1.230 2133 F HN 0.403 nan 8.300 nan 0.000 0.450 2134 H N 1.144 119.935 119.070 -0.465 0.000 2.987 2134 H HA 0.281 4.837 4.556 -0.000 0.000 0.316 2134 H C -1.870 173.327 175.328 -0.218 0.000 1.380 2134 H CA -0.992 54.992 56.048 -0.107 0.000 1.160 2134 H CB 0.898 30.854 29.762 0.323 0.000 1.865 2134 H HN 0.459 nan 8.280 nan 0.000 0.521 2135 T N 1.733 116.317 114.554 0.050 0.000 2.817 2135 T HA 0.424 4.774 4.350 -0.000 0.000 0.293 2135 T C 0.282 175.144 174.700 0.270 0.000 0.964 2135 T CA 0.004 62.147 62.100 0.072 0.000 1.085 2135 T CB 1.071 70.012 68.868 0.122 0.000 0.921 2135 T HN 0.615 nan 8.240 nan 0.000 0.502 2136 S N 2.559 118.409 115.700 0.251 0.000 2.900 2136 S HA 0.818 5.288 4.470 -0.000 0.000 0.320 2136 S C -1.398 173.230 174.600 0.047 0.000 1.130 2136 S CA -0.830 57.554 58.200 0.306 0.000 0.863 2136 S CB 0.681 64.085 63.200 0.339 0.000 1.295 2136 S HN 0.546 nan 8.310 nan 0.000 0.596 2137 L N 1.470 122.645 121.223 -0.080 0.000 2.342 2137 L HA 0.654 4.994 4.340 -0.000 0.000 0.271 2137 L C -0.916 175.778 176.870 -0.294 0.000 1.008 2137 L CA -0.701 53.958 54.840 -0.302 0.000 0.818 2137 L CB 1.756 43.504 42.059 -0.518 0.000 1.296 2137 L HN 0.562 nan 8.230 nan 0.000 0.427 2138 I N 2.763 123.009 120.570 -0.540 0.000 2.433 2138 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 2138 I C -1.053 174.797 176.117 -0.446 0.000 1.001 2138 I CA -0.597 60.387 61.300 -0.526 0.000 1.119 2138 I CB 2.223 39.742 38.000 -0.801 0.000 1.289 2138 I HN 0.315 nan 8.210 nan 0.000 0.438 2139 L N 7.037 128.098 121.223 -0.270 0.000 2.337 2139 L HA 0.373 4.713 4.340 -0.000 0.000 0.269 2139 L C -0.098 176.695 176.870 -0.129 0.000 1.018 2139 L CA -0.146 54.542 54.840 -0.252 0.000 0.876 2139 L CB 0.906 42.758 42.059 -0.345 0.000 1.236 2139 L HN 0.469 nan 8.230 nan 0.000 0.436 2140 E N 2.275 122.449 120.200 -0.044 0.000 2.417 2140 E HA 0.103 4.452 4.350 -0.000 0.000 0.261 2140 E C 1.101 177.743 176.600 0.070 0.000 1.000 2140 E CA 0.739 57.161 56.400 0.037 0.000 0.919 2140 E CB 0.991 30.748 29.700 0.095 0.000 0.955 2140 E HN 0.827 nan 8.360 nan 0.000 0.455 2141 G N 4.161 113.001 108.800 0.068 0.000 2.459 2141 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 2141 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 2141 G C 1.387 176.358 174.900 0.118 0.000 1.183 2141 G CA 0.937 46.096 45.100 0.099 0.000 0.776 2141 G HN 0.517 nan 8.290 nan 0.000 0.552 2142 K N 0.320 120.771 120.400 0.085 0.000 2.020 2142 K HA -0.168 4.152 4.320 -0.000 0.000 0.212 2142 K C 2.455 179.111 176.600 0.092 0.000 1.050 2142 K CA 1.837 58.168 56.287 0.074 0.000 0.929 2142 K CB -0.216 32.317 32.500 0.054 0.000 0.714 2142 K HN 0.295 nan 8.250 nan 0.000 0.443 2143 N N -0.808 117.956 118.700 0.107 0.000 2.188 2143 N HA -0.168 4.571 4.740 -0.000 0.000 0.184 2143 N C 1.476 177.108 175.510 0.203 0.000 1.018 2143 N CA 1.065 54.190 53.050 0.125 0.000 0.858 2143 N CB -0.246 38.300 38.487 0.099 0.000 0.989 2143 N HN 0.221 nan 8.380 nan 0.000 0.426 2144 Y N 0.841 121.167 120.300 0.045 0.000 2.200 2144 Y HA -0.021 4.529 4.550 -0.000 0.000 0.290 2144 Y C 1.888 177.879 175.900 0.151 0.000 1.137 2144 Y CA 0.881 59.020 58.100 0.064 0.000 1.163 2144 Y CB -0.520 37.925 38.460 -0.025 0.000 0.988 2144 Y HN -0.008 nan 8.280 nan 0.000 0.518 2145 L N 0.377 121.648 121.223 0.080 0.000 2.083 2145 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 2145 L C 2.393 179.257 176.870 -0.010 0.000 1.083 2145 L CA 1.945 56.775 54.840 -0.016 0.000 0.752 2145 L CB -1.147 40.931 42.059 0.032 0.000 0.899 2145 L HN 0.314 nan 8.230 nan 0.000 0.433 2146 Q N -1.809 118.015 119.800 0.041 0.000 2.123 2146 Q HA -0.248 4.092 4.340 -0.000 0.000 0.199 2146 Q C 2.082 178.098 176.000 0.027 0.000 0.966 2146 Q CA 1.691 57.502 55.803 0.013 0.000 0.845 2146 Q CB -0.673 28.085 28.738 0.033 0.000 0.907 2146 Q HN 0.517 nan 8.270 nan 0.000 0.439 2147 W N 0.192 121.442 121.300 -0.082 0.000 2.355 2147 W HA -0.111 4.549 4.660 -0.000 0.000 0.309 2147 W C 1.482 177.928 176.519 -0.123 0.000 1.206 2147 W CA 1.587 58.886 57.345 -0.078 0.000 1.284 2147 W CB -0.295 29.149 29.460 -0.026 0.000 1.145 2147 W HN 0.215 nan 8.180 nan 0.000 0.502 2148 L N -0.067 121.105 121.223 -0.084 0.000 2.042 2148 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 2148 L C 2.493 179.220 176.870 -0.238 0.000 1.076 2148 L CA 2.012 56.699 54.840 -0.255 0.000 0.749 2148 L CB -1.335 40.601 42.059 -0.205 0.000 0.893 2148 L HN -0.061 nan 8.230 nan 0.000 0.432 2149 T N -0.802 113.646 114.554 -0.177 0.000 2.665 2149 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 2149 T C 1.717 176.273 174.700 -0.240 0.000 1.035 2149 T CA 1.724 63.691 62.100 -0.221 0.000 1.151 2149 T CB -0.239 68.441 68.868 -0.314 0.000 0.862 2149 T HN 0.419 nan 8.240 nan 0.000 0.438 2150 E N 0.364 120.395 120.200 -0.282 0.000 2.051 2150 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 2150 E C 2.638 179.055 176.600 -0.305 0.000 0.991 2150 E CA 0.829 57.066 56.400 -0.273 0.000 0.799 2150 E CB -0.093 29.443 29.700 -0.272 0.000 0.748 2150 E HN 0.139 nan 8.360 nan 0.000 0.449 2151 R N 0.493 120.703 120.500 -0.484 0.000 2.096 2151 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 2151 R C 2.174 178.299 176.300 -0.292 0.000 1.139 2151 R CA 0.954 56.766 56.100 -0.481 0.000 0.952 2151 R CB -0.660 29.166 30.300 -0.790 0.000 0.854 2151 R HN 0.111 nan 8.270 nan 0.000 0.436 2152 L N 0.013 121.115 121.223 -0.201 0.000 2.046 2152 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 2152 L C 2.003 178.837 176.870 -0.059 0.000 1.077 2152 L CA 1.996 56.782 54.840 -0.089 0.000 0.747 2152 L CB -1.288 40.864 42.059 0.156 0.000 0.896 2152 L HN 0.261 nan 8.230 nan 0.000 0.432 2153 T N -0.928 113.627 114.554 0.000 0.000 2.708 2153 T HA -0.190 4.160 4.350 -0.000 0.000 0.266 2153 T C 1.707 176.353 174.700 -0.091 0.000 1.037 2153 T CA 1.305 63.401 62.100 -0.006 0.000 1.146 2153 T CB -0.166 68.669 68.868 -0.054 0.000 0.865 2153 T HN 0.395 nan 8.240 nan 0.000 0.435 2154 E N 0.867 120.987 120.200 -0.134 0.000 2.187 2154 E HA -0.183 4.166 4.350 -0.000 0.000 0.199 2154 E C 2.247 178.751 176.600 -0.159 0.000 1.004 2154 E CA 0.995 57.313 56.400 -0.137 0.000 0.813 2154 E CB -0.141 29.466 29.700 -0.154 0.000 0.736 2154 E HN 0.452 nan 8.360 nan 0.000 0.468 2155 R N -0.977 119.380 120.500 -0.240 0.000 2.297 2155 R HA 0.086 4.426 4.340 -0.000 0.000 0.197 2155 R C 1.224 177.350 176.300 -0.289 0.000 0.943 2155 R CA 0.515 56.381 56.100 -0.389 0.000 1.038 2155 R CB 0.668 30.473 30.300 -0.825 0.000 0.957 2155 R HN 0.243 nan 8.270 nan 0.000 0.484 2156 G N 0.692 109.392 108.800 -0.167 0.000 2.159 2156 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.227 2156 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.227 2156 G C 0.092 174.941 174.900 -0.086 0.000 0.986 2156 G CA -0.221 44.827 45.100 -0.086 0.000 0.651 2156 G HN 0.112 nan 8.290 nan 0.000 0.523 2157 V N 1.818 121.643 119.914 -0.149 0.000 2.470 2157 V HA 0.326 4.446 4.120 -0.000 0.000 0.276 2157 V C 0.844 176.775 176.094 -0.272 0.000 1.040 2157 V CA 0.105 62.270 62.300 -0.225 0.000 1.008 2157 V CB 1.209 32.831 31.823 -0.336 0.000 0.990 2157 V HN 0.302 nan 8.190 nan 0.000 0.477 2158 K N 4.536 124.790 120.400 -0.243 0.000 2.110 2158 K HA 0.602 4.922 4.320 -0.000 0.000 0.263 2158 K C -1.075 175.214 176.600 -0.518 0.000 0.975 2158 K CA -0.274 55.853 56.287 -0.265 0.000 0.895 2158 K CB 1.420 33.838 32.500 -0.137 0.000 1.060 2158 K HN 0.444 nan 8.250 nan 0.000 0.448 2159 F N 1.797 121.428 119.950 -0.532 0.000 2.508 2159 F HA 0.481 5.008 4.527 -0.000 0.000 0.325 2159 F C -0.392 174.959 175.800 -0.747 0.000 1.090 2159 F CA -0.899 56.880 58.000 -0.369 0.000 0.945 2159 F CB 1.092 39.893 39.000 -0.331 0.000 1.156 2159 F HN 0.298 nan 8.300 nan 0.000 0.463 2160 F N 1.210 121.325 119.950 0.275 0.000 2.569 2160 F HA 0.344 4.871 4.527 -0.000 0.000 0.312 2160 F C -0.389 175.552 175.800 0.235 0.000 1.109 2160 F CA -0.970 57.082 58.000 0.086 0.000 0.919 2160 F CB 1.786 40.680 39.000 -0.177 0.000 1.211 2160 F HN 0.301 nan 8.300 nan 0.000 0.446 2161 Q N 5.187 125.181 119.800 0.325 0.000 2.331 2161 Q HA 0.562 4.902 4.340 -0.000 0.000 0.257 2161 Q C -0.952 175.132 176.000 0.139 0.000 0.957 2161 Q CA -0.414 55.619 55.803 0.384 0.000 0.923 2161 Q CB 1.146 30.072 28.738 0.314 0.000 1.212 2161 Q HN 0.999 nan 8.270 nan 0.000 0.443 2162 R N 1.813 122.355 120.500 0.070 0.000 2.728 2162 R HA 0.310 4.650 4.340 -0.000 0.000 0.259 2162 R C -1.533 174.747 176.300 -0.034 0.000 1.057 2162 R CA -0.906 55.179 56.100 -0.024 0.000 0.908 2162 R CB 0.790 31.023 30.300 -0.112 0.000 1.259 2162 R HN 0.295 nan 8.270 nan 0.000 0.472 2163 K N 2.640 123.006 120.400 -0.057 0.000 2.231 2163 K HA 0.195 4.515 4.320 -0.000 0.000 0.275 2163 K C -0.426 176.141 176.600 -0.055 0.000 1.105 2163 K CA -0.512 55.730 56.287 -0.076 0.000 0.931 2163 K CB 1.087 33.526 32.500 -0.102 0.000 1.296 2163 K HN 0.452 nan 8.250 nan 0.000 0.446 2164 V N 4.900 124.798 119.914 -0.026 0.000 2.509 2164 V HA -0.073 4.047 4.120 -0.000 0.000 0.297 2164 V C 1.363 177.407 176.094 -0.084 0.000 1.014 2164 V CA 0.463 62.753 62.300 -0.017 0.000 1.127 2164 V CB 0.767 32.599 31.823 0.014 0.000 0.925 2164 V HN 0.817 nan 8.190 nan 0.000 0.480 2165 E N 2.622 122.777 120.200 -0.075 0.000 2.216 2165 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 2165 E C 0.761 177.284 176.600 -0.128 0.000 0.988 2165 E CA 0.893 57.239 56.400 -0.091 0.000 0.834 2165 E CB 0.504 30.167 29.700 -0.061 0.000 0.772 2165 E HN 0.880 nan 8.360 nan 0.000 0.479 2166 S N -1.592 114.021 115.700 -0.146 0.000 2.580 2166 S HA 0.207 4.677 4.470 -0.000 0.000 0.281 2166 S C 0.179 174.697 174.600 -0.138 0.000 1.129 2166 S CA -0.744 57.348 58.200 -0.180 0.000 0.862 2166 S CB -0.198 62.965 63.200 -0.060 0.000 1.090 2166 S HN -0.119 nan 8.310 nan 0.000 0.451 2167 F N 1.895 121.858 119.950 0.021 0.000 2.161 2167 F HA -0.042 4.485 4.527 -0.000 0.000 0.300 2167 F C 2.589 178.393 175.800 0.006 0.000 1.089 2167 F CA 1.736 59.742 58.000 0.010 0.000 1.282 2167 F CB -0.533 38.475 39.000 0.013 0.000 1.010 2167 F HN 0.651 nan 8.300 nan 0.000 0.485 2168 E N 0.436 120.746 120.200 0.183 0.000 2.085 2168 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 2168 E C 2.092 178.733 176.600 0.068 0.000 0.994 2168 E CA 1.302 57.766 56.400 0.106 0.000 0.801 2168 E CB -0.831 28.916 29.700 0.077 0.000 0.743 2168 E HN 0.604 nan 8.360 nan 0.000 0.453 2169 E N 1.111 121.342 120.200 0.051 0.000 2.058 2169 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 2169 E C 2.135 178.766 176.600 0.052 0.000 0.997 2169 E CA 1.612 58.035 56.400 0.037 0.000 0.801 2169 E CB 0.161 29.873 29.700 0.019 0.000 0.746 2169 E HN 0.080 nan 8.360 nan 0.000 0.450 2170 V N 1.228 121.185 119.914 0.071 0.000 2.453 2170 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 2170 V C 2.511 178.629 176.094 0.039 0.000 1.048 2170 V CA 1.452 63.792 62.300 0.066 0.000 1.049 2170 V CB -0.722 31.135 31.823 0.057 0.000 0.672 2170 V HN 0.434 nan 8.190 nan 0.000 0.457 2171 A N 0.439 123.292 122.820 0.056 0.000 1.859 2171 A HA -0.291 4.028 4.320 -0.000 0.000 0.217 2171 A C 2.356 179.952 177.584 0.020 0.000 1.198 2171 A CA 2.267 54.324 52.037 0.034 0.000 0.629 2171 A CB -0.618 18.410 19.000 0.047 0.000 0.830 2171 A HN 0.481 nan 8.150 nan 0.000 0.446 2172 R N 0.085 120.600 120.500 0.025 0.000 2.134 2172 R HA -0.218 4.122 4.340 -0.000 0.000 0.248 2172 R C 1.921 178.226 176.300 0.010 0.000 1.143 2172 R CA 1.884 57.994 56.100 0.016 0.000 0.957 2172 R CB -0.486 29.824 30.300 0.017 0.000 0.867 2172 R HN 0.899 nan 8.270 nan 0.000 0.441 2173 E N -0.283 119.925 120.200 0.013 0.000 2.438 2173 E HA 0.039 4.389 4.350 -0.000 0.000 0.192 2173 E C 0.598 177.198 176.600 -0.001 0.000 1.110 2173 E CA 0.503 56.908 56.400 0.007 0.000 0.893 2173 E CB 0.324 30.035 29.700 0.017 0.000 0.990 2173 E HN 0.441 nan 8.360 nan 0.000 0.490 2174 G N -0.224 108.574 108.800 -0.004 0.000 2.168 2174 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.197 2174 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.197 2174 G C 0.312 175.203 174.900 -0.016 0.000 0.997 2174 G CA -0.303 44.792 45.100 -0.009 0.000 0.658 2174 G HN 0.669 nan 8.290 nan 0.000 0.513 2175 A N 0.304 123.111 122.820 -0.022 0.000 2.450 2175 A HA 0.560 4.880 4.320 -0.000 0.000 0.255 2175 A C 1.076 178.645 177.584 -0.025 0.000 1.096 2175 A CA 0.966 52.983 52.037 -0.034 0.000 0.778 2175 A CB 0.326 19.296 19.000 -0.050 0.000 1.031 2175 A HN 0.189 nan 8.150 nan 0.000 0.494 2176 D N 1.035 121.422 120.400 -0.022 0.000 2.323 2176 D HA 0.165 4.804 4.640 -0.000 0.000 0.218 2176 D C 0.126 176.408 176.300 -0.030 0.000 0.973 2176 D CA 0.921 54.905 54.000 -0.026 0.000 0.890 2176 D CB 0.073 40.858 40.800 -0.025 0.000 1.011 2176 D HN 0.257 nan 8.370 nan 0.000 0.499 2177 V N 1.294 121.205 119.914 -0.004 0.000 2.709 2177 V HA 0.405 4.525 4.120 -0.000 0.000 0.308 2177 V C -0.540 175.548 176.094 -0.010 0.000 1.062 2177 V CA -0.775 61.531 62.300 0.009 0.000 0.901 2177 V CB 2.769 34.661 31.823 0.116 0.000 1.003 2177 V HN -0.066 nan 8.190 nan 0.000 0.425 2178 I N 4.215 124.759 120.570 -0.045 0.000 2.390 2178 I HA 0.375 4.545 4.170 -0.000 0.000 0.283 2178 I C -0.511 175.568 176.117 -0.063 0.000 1.016 2178 I CA -0.734 60.535 61.300 -0.053 0.000 1.151 2178 I CB 1.853 39.833 38.000 -0.033 0.000 1.293 2178 I HN 0.282 nan 8.210 nan 0.000 0.458 2179 V N 5.287 125.180 119.914 -0.035 0.000 2.408 2179 V HA 0.132 4.252 4.120 -0.000 0.000 0.267 2179 V C 0.267 176.380 176.094 0.032 0.000 1.047 2179 V CA -0.442 61.846 62.300 -0.020 0.000 0.937 2179 V CB 1.023 32.828 31.823 -0.029 0.000 0.999 2179 V HN 0.673 nan 8.190 nan 0.000 0.472 2180 N N 4.337 123.069 118.700 0.053 0.000 2.645 2180 N HA 0.229 4.969 4.740 -0.000 0.000 0.233 2180 N C -0.424 175.243 175.510 0.262 0.000 1.058 2180 N CA -0.350 52.814 53.050 0.189 0.000 0.942 2180 N CB 0.420 39.043 38.487 0.227 0.000 1.210 2180 N HN 0.651 nan 8.380 nan 0.000 0.512 2181 C N 2.539 121.960 119.300 0.203 0.000 2.792 2181 C HA 0.250 4.710 4.460 -0.000 0.000 0.306 2181 C C 1.573 176.689 174.990 0.209 0.000 1.462 2181 C CA -0.605 58.541 59.018 0.213 0.000 1.640 2181 C CB -1.516 26.302 27.740 0.130 0.000 2.434 2181 C HN 0.771 nan 8.230 nan 0.000 0.538 2182 T N -1.998 112.698 114.554 0.237 0.000 3.129 2182 T HA 0.399 4.748 4.350 -0.000 0.000 0.251 2182 T C 1.390 176.271 174.700 0.302 0.000 1.117 2182 T CA 0.681 62.908 62.100 0.212 0.000 1.034 2182 T CB 0.138 69.085 68.868 0.132 0.000 0.968 2182 T HN 0.971 nan 8.240 nan 0.000 0.526 2183 G N 1.444 110.415 108.800 0.285 0.000 2.582 2183 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.288 2183 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.288 2183 G C 0.894 175.859 174.900 0.107 0.000 1.247 2183 G CA 0.173 45.420 45.100 0.245 0.000 0.972 2183 G HN 0.642 nan 8.290 nan 0.000 0.557 2184 V N 0.694 120.533 119.914 -0.124 0.000 2.867 2184 V HA -0.012 4.108 4.120 -0.000 0.000 0.260 2184 V C 1.993 177.985 176.094 -0.169 0.000 1.099 2184 V CA 2.536 64.648 62.300 -0.314 0.000 1.122 2184 V CB -0.466 30.933 31.823 -0.708 0.000 0.708 2184 V HN 0.575 nan 8.190 nan 0.000 0.490 2185 W N -1.022 120.376 121.300 0.163 0.000 3.290 2185 W HA 0.313 4.973 4.660 -0.000 0.000 0.287 2185 W C 2.240 178.724 176.519 -0.057 0.000 1.288 2185 W CA 0.324 57.725 57.345 0.094 0.000 1.725 2185 W CB -0.582 28.910 29.460 0.053 0.000 1.103 2185 W HN 0.410 nan 8.180 nan 0.000 0.670 2186 A N 1.350 124.164 122.820 -0.010 0.000 1.958 2186 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 2186 A C 2.368 179.847 177.584 -0.175 0.000 1.178 2186 A CA 2.373 54.245 52.037 -0.275 0.000 0.642 2186 A CB -1.299 17.040 19.000 -1.101 0.000 0.816 2186 A HN 0.280 nan 8.150 nan 0.000 0.453 2187 G N -0.393 108.351 108.800 -0.094 0.000 2.513 2187 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 2187 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 2187 G C 1.760 176.651 174.900 -0.017 0.000 1.160 2187 G CA 1.692 46.783 45.100 -0.015 0.000 0.767 2187 G HN 1.017 nan 8.290 nan 0.000 0.571 2188 A N 0.092 122.897 122.820 -0.025 0.000 2.032 2188 A HA 0.019 4.339 4.320 -0.000 0.000 0.221 2188 A C 2.388 179.922 177.584 -0.084 0.000 1.165 2188 A CA 1.552 53.557 52.037 -0.053 0.000 0.645 2188 A CB -0.284 18.687 19.000 -0.050 0.000 0.807 2188 A HN 0.418 nan 8.150 nan 0.000 0.453 2189 L N -2.502 118.653 121.223 -0.114 0.000 2.354 2189 L HA 0.142 4.482 4.340 -0.000 0.000 0.212 2189 L C 1.114 177.953 176.870 -0.052 0.000 1.091 2189 L CA 0.548 55.243 54.840 -0.241 0.000 0.828 2189 L CB 0.285 42.024 42.059 -0.533 0.000 0.973 2189 L HN 0.612 nan 8.230 nan 0.000 0.461 2190 Q N 0.317 120.171 119.800 0.090 0.000 2.487 2190 Q HA 0.160 4.500 4.340 -0.000 0.000 0.234 2190 Q C -0.699 175.375 176.000 0.123 0.000 0.828 2190 Q CA -0.535 55.383 55.803 0.192 0.000 0.907 2190 Q CB 1.174 30.157 28.738 0.409 0.000 1.462 2190 Q HN 0.040 nan 8.270 nan 0.000 0.442 2191 R N 2.345 122.896 120.500 0.084 0.000 2.500 2191 R HA -0.091 4.249 4.340 -0.000 0.000 0.281 2191 R C -0.989 175.362 176.300 0.085 0.000 0.953 2191 R CA 1.168 57.307 56.100 0.065 0.000 1.108 2191 R CB 0.416 30.747 30.300 0.052 0.000 0.901 2191 R HN 0.593 nan 8.270 nan 0.000 0.410 2192 D N 6.154 126.605 120.400 0.085 0.000 2.346 2192 D HA 0.198 4.838 4.640 -0.000 0.000 0.255 2192 D C -1.759 174.600 176.300 0.099 0.000 1.276 2192 D CA -1.835 52.232 54.000 0.112 0.000 0.941 2192 D CB 1.506 42.412 40.800 0.177 0.000 1.199 2192 D HN 0.302 nan 8.370 nan 0.000 0.537 2193 P HA -0.087 nan 4.420 nan 0.000 0.218 2193 P C 1.187 178.534 177.300 0.077 0.000 1.148 2193 P CA 0.633 63.776 63.100 0.071 0.000 0.822 2193 P CB 0.322 32.057 31.700 0.057 0.000 0.784 2194 L N -1.036 120.238 121.223 0.084 0.000 2.682 2194 L HA 0.199 4.539 4.340 -0.000 0.000 0.240 2194 L C 0.806 177.740 176.870 0.106 0.000 1.178 2194 L CA -0.229 54.663 54.840 0.085 0.000 0.970 2194 L CB -0.762 41.343 42.059 0.077 0.000 1.179 2194 L HN -0.048 nan 8.230 nan 0.000 0.435 2195 L N 0.417 121.709 121.223 0.114 0.000 2.349 2195 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 2195 L C -0.784 176.122 176.870 0.060 0.000 0.996 2195 L CA -0.005 54.903 54.840 0.114 0.000 0.825 2195 L CB 1.719 43.884 42.059 0.176 0.000 1.243 2195 L HN 0.086 nan 8.230 nan 0.000 0.412 2196 Q N 5.507 125.302 119.800 -0.008 0.000 2.456 2196 Q HA 0.596 4.936 4.340 -0.000 0.000 0.283 2196 Q C -2.648 173.156 176.000 -0.328 0.000 1.084 2196 Q CA -1.930 53.800 55.803 -0.122 0.000 0.801 2196 Q CB 2.713 31.403 28.738 -0.081 0.000 1.434 2196 Q HN 0.461 nan 8.270 nan 0.000 0.419 2197 P HA 0.090 nan 4.420 nan 0.000 0.287 2197 P C -0.592 176.369 177.300 -0.566 0.000 1.294 2197 P CA -0.097 62.470 63.100 -0.888 0.000 0.776 2197 P CB 0.702 31.281 31.700 -1.868 0.000 0.889 2198 G N 4.247 112.786 108.800 -0.436 0.000 2.663 2198 G HA2 0.169 4.129 3.960 -0.000 0.000 0.320 2198 G HA3 0.169 4.129 3.960 -0.000 0.000 0.320 2198 G C 0.192 174.796 174.900 -0.492 0.000 0.937 2198 G CA -0.529 44.175 45.100 -0.660 0.000 1.332 2198 G HN 0.458 nan 8.290 nan 0.000 0.461 2199 R N 1.824 122.114 120.500 -0.349 0.000 2.537 2199 R HA 0.424 4.764 4.340 -0.000 0.000 0.280 2199 R C 0.268 176.488 176.300 -0.133 0.000 1.058 2199 R CA 0.233 56.287 56.100 -0.076 0.000 1.057 2199 R CB 0.543 30.867 30.300 0.040 0.000 0.973 2199 R HN 0.455 nan 8.270 nan 0.000 0.438 2200 G N 2.580 111.320 108.800 -0.099 0.000 2.638 2200 G HA2 0.283 4.243 3.960 -0.000 0.000 0.302 2200 G HA3 0.283 4.243 3.960 -0.000 0.000 0.302 2200 G C -1.733 173.143 174.900 -0.040 0.000 1.365 2200 G CA -0.494 44.588 45.100 -0.031 0.000 0.987 2200 G HN 0.567 nan 8.290 nan 0.000 0.495 2201 Q N 0.212 120.017 119.800 0.010 0.000 2.365 2201 Q HA 0.712 5.052 4.340 -0.000 0.000 0.269 2201 Q C -0.656 175.349 176.000 0.008 0.000 1.061 2201 Q CA -0.868 54.936 55.803 0.002 0.000 0.816 2201 Q CB 2.249 30.999 28.738 0.019 0.000 1.325 2201 Q HN 0.710 nan 8.270 nan 0.000 0.446 2202 I N -0.783 119.789 120.570 0.004 0.000 2.934 2202 I HA 0.636 4.806 4.170 -0.000 0.000 0.306 2202 I C -1.283 174.837 176.117 0.004 0.000 1.110 2202 I CA -1.192 60.104 61.300 -0.007 0.000 1.019 2202 I CB 2.422 40.439 38.000 0.029 0.000 1.227 2202 I HN 0.615 nan 8.210 nan 0.000 0.434 2203 M N 3.870 123.466 119.600 -0.005 0.000 2.134 2203 M HA 0.453 4.933 4.480 -0.000 0.000 0.310 2203 M C -1.257 175.066 176.300 0.037 0.000 0.966 2203 M CA -0.592 54.724 55.300 0.027 0.000 0.922 2203 M CB 1.268 33.887 32.600 0.031 0.000 1.537 2203 M HN 0.501 nan 8.290 nan 0.000 0.424 2204 K N 3.993 124.419 120.400 0.042 0.000 2.284 2204 K HA 0.397 4.717 4.320 -0.000 0.000 0.287 2204 K C -1.118 175.511 176.600 0.048 0.000 1.081 2204 K CA -0.277 56.034 56.287 0.039 0.000 0.910 2204 K CB 1.529 34.048 32.500 0.031 0.000 1.088 2204 K HN 0.511 nan 8.250 nan 0.000 0.478 2205 V N 2.077 122.020 119.914 0.047 0.000 2.815 2205 V HA 0.153 4.273 4.120 -0.000 0.000 0.314 2205 V C -1.031 175.066 176.094 0.006 0.000 1.064 2205 V CA -0.856 61.482 62.300 0.063 0.000 0.952 2205 V CB 2.276 34.180 31.823 0.134 0.000 1.020 2205 V HN 0.703 nan 8.190 nan 0.000 0.439 2206 D N 4.288 124.694 120.400 0.011 0.000 2.428 2206 D HA 0.640 5.280 4.640 -0.000 0.000 0.221 2206 D C -0.175 176.062 176.300 -0.105 0.000 1.123 2206 D CA 0.188 54.170 54.000 -0.029 0.000 0.869 2206 D CB 1.058 41.868 40.800 0.016 0.000 1.032 2206 D HN 0.770 nan 8.370 nan 0.000 0.506 2207 A N 5.077 127.712 122.820 -0.309 0.000 3.266 2207 A HA 0.340 4.660 4.320 -0.000 0.000 0.310 2207 A C -1.896 175.225 177.584 -0.771 0.000 1.066 2207 A CA -0.871 50.647 52.037 -0.864 0.000 0.839 2207 A CB 0.913 19.176 19.000 -1.228 0.000 1.192 2207 A HN 0.457 nan 8.150 nan 0.000 0.496 2208 P HA -0.163 nan 4.420 nan 0.000 0.226 2208 P C 1.079 178.359 177.300 -0.033 0.000 1.146 2208 P CA 1.121 64.156 63.100 -0.107 0.000 0.773 2208 P CB -0.218 31.500 31.700 0.030 0.000 0.772 2209 W N -0.640 120.679 121.300 0.031 0.000 2.584 2209 W HA 0.151 4.811 4.660 -0.000 0.000 0.264 2209 W C 0.777 177.329 176.519 0.056 0.000 1.264 2209 W CA -0.226 57.141 57.345 0.036 0.000 1.306 2209 W CB -1.445 28.038 29.460 0.037 0.000 1.110 2209 W HN -0.320 nan 8.180 nan 0.000 0.606 2210 M N 2.833 122.212 119.600 -0.367 0.000 2.327 2210 M HA 0.029 4.508 4.480 -0.000 0.000 0.353 2210 M C 0.486 176.774 176.300 -0.020 0.000 1.539 2210 M CA 0.963 56.191 55.300 -0.121 0.000 1.039 2210 M CB 0.378 32.842 32.600 -0.227 0.000 1.967 2210 M HN 0.050 nan 8.290 nan 0.000 0.459 2211 K N 2.071 122.502 120.400 0.052 0.000 2.438 2211 K HA 0.231 4.551 4.320 -0.000 0.000 0.206 2211 K C -0.355 176.067 176.600 -0.296 0.000 1.081 2211 K CA 0.224 56.447 56.287 -0.107 0.000 1.053 2211 K CB 0.469 32.883 32.500 -0.144 0.000 0.908 2211 K HN 0.672 nan 8.250 nan 0.000 0.556 2212 H N -0.193 118.922 119.070 0.075 0.000 2.637 2212 H HA 0.342 4.897 4.556 -0.000 0.000 0.363 2212 H C -0.513 174.833 175.328 0.031 0.000 1.131 2212 H CA -1.028 55.007 56.048 -0.022 0.000 1.183 2212 H CB 1.101 30.868 29.762 0.007 0.000 1.637 2212 H HN -0.079 nan 8.280 nan 0.000 0.531 2213 F N 0.947 120.971 119.950 0.124 0.000 2.399 2213 F HA 0.580 5.106 4.527 -0.000 0.000 0.342 2213 F C -0.766 175.098 175.800 0.107 0.000 1.106 2213 F CA -0.952 57.099 58.000 0.085 0.000 1.196 2213 F CB 0.259 39.268 39.000 0.014 0.000 1.163 2213 F HN 0.276 nan 8.300 nan 0.000 0.547 2214 I N 5.018 125.782 120.570 0.324 0.000 2.468 2214 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 2214 I C -1.145 175.022 176.117 0.084 0.000 1.039 2214 I CA -0.581 60.806 61.300 0.146 0.000 1.074 2214 I CB 1.742 39.764 38.000 0.036 0.000 1.228 2214 I HN 0.565 nan 8.210 nan 0.000 0.436 2215 L N 5.909 127.139 121.223 0.012 0.000 2.319 2215 L HA 0.490 4.829 4.340 -0.000 0.000 0.281 2215 L C 0.483 177.009 176.870 -0.574 0.000 1.005 2215 L CA -0.631 54.106 54.840 -0.171 0.000 0.828 2215 L CB 1.803 43.806 42.059 -0.093 0.000 1.227 2215 L HN 0.616 nan 8.230 nan 0.000 0.415 2216 T N -1.604 112.576 114.554 -0.623 0.000 2.882 2216 T HA 0.404 4.754 4.350 -0.000 0.000 0.287 2216 T C -0.216 173.919 174.700 -0.943 0.000 1.014 2216 T CA -0.509 61.101 62.100 -0.817 0.000 1.049 2216 T CB 1.061 69.613 68.868 -0.528 0.000 1.001 2216 T HN 0.455 nan 8.240 nan 0.000 0.525 2217 H N 1.149 119.966 119.070 -0.423 0.000 2.934 2217 H HA 0.507 5.063 4.556 -0.000 0.000 0.340 2217 H C -1.460 173.857 175.328 -0.019 0.000 1.008 2217 H CA -0.671 55.220 56.048 -0.262 0.000 1.317 2217 H CB 1.894 31.359 29.762 -0.496 0.000 1.670 2217 H HN 0.853 nan 8.280 nan 0.000 0.516 2218 D N 4.386 124.892 120.400 0.177 0.000 2.736 2218 D HA 0.209 4.849 4.640 -0.000 0.000 0.243 2218 D C -1.857 174.537 176.300 0.158 0.000 1.304 2218 D CA -1.859 52.295 54.000 0.256 0.000 0.934 2218 D CB 2.405 43.388 40.800 0.304 0.000 1.382 2218 D HN 0.088 nan 8.370 nan 0.000 0.571 2219 P HA -0.197 nan 4.420 nan 0.000 0.216 2219 P C 0.892 178.219 177.300 0.046 0.000 1.153 2219 P CA 1.097 64.239 63.100 0.071 0.000 0.858 2219 P CB 0.440 32.179 31.700 0.066 0.000 0.789 2220 E N 0.398 120.630 120.200 0.054 0.000 2.049 2220 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 2220 E C 2.243 178.868 176.600 0.042 0.000 1.007 2220 E CA 1.287 57.708 56.400 0.036 0.000 0.809 2220 E CB -0.711 29.004 29.700 0.025 0.000 0.749 2220 E HN 0.356 nan 8.360 nan 0.000 0.450 2221 R N 0.023 120.559 120.500 0.059 0.000 2.064 2221 R HA 0.096 4.436 4.340 -0.000 0.000 0.228 2221 R C 1.291 177.617 176.300 0.042 0.000 1.144 2221 R CA 1.194 57.331 56.100 0.062 0.000 0.932 2221 R CB -0.124 30.224 30.300 0.081 0.000 0.833 2221 R HN 0.292 nan 8.270 nan 0.000 0.429 2222 G N -0.350 108.458 108.800 0.014 0.000 2.334 2222 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.315 2222 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.315 2222 G C -1.602 173.206 174.900 -0.153 0.000 1.284 2222 G CA -0.669 44.390 45.100 -0.069 0.000 0.985 2222 G HN 0.166 nan 8.290 nan 0.000 0.504 2223 I N 0.360 120.705 120.570 -0.376 0.000 2.588 2223 I HA 0.519 4.688 4.170 -0.000 0.000 0.283 2223 I C 1.091 176.906 176.117 -0.503 0.000 1.119 2223 I CA -0.038 60.905 61.300 -0.594 0.000 1.419 2223 I CB -0.415 37.036 38.000 -0.915 0.000 1.394 2223 I HN 0.986 nan 8.210 nan 0.000 0.562 2224 Y N 3.769 124.022 120.300 -0.078 0.000 4.144 2224 Y HA -0.285 4.265 4.550 -0.000 0.000 0.216 2224 Y C 0.998 177.040 175.900 0.237 0.000 1.115 2224 Y CA 1.053 59.225 58.100 0.119 0.000 1.729 2224 Y CB -2.455 36.163 38.460 0.264 0.000 1.553 2224 Y HN 0.744 nan 8.280 nan 0.000 0.633 2225 N N -0.047 118.786 118.700 0.222 0.000 2.351 2225 N HA 0.221 4.961 4.740 -0.000 0.000 0.254 2225 N C -0.532 175.062 175.510 0.141 0.000 1.241 2225 N CA 0.485 53.664 53.050 0.216 0.000 0.883 2225 N CB 0.511 39.114 38.487 0.193 0.000 1.202 2225 N HN 0.297 nan 8.380 nan 0.000 0.512 2226 S N -1.202 114.576 115.700 0.130 0.000 2.570 2226 S HA 0.674 5.144 4.470 -0.000 0.000 0.286 2226 S C -2.978 171.662 174.600 0.066 0.000 1.099 2226 S CA -1.459 56.788 58.200 0.079 0.000 0.913 2226 S CB 1.888 65.116 63.200 0.047 0.000 1.085 2226 S HN -0.117 nan 8.310 nan 0.000 0.480 2227 P HA 0.086 nan 4.420 nan 0.000 0.253 2227 P C -1.052 176.231 177.300 -0.028 0.000 1.159 2227 P CA 0.599 63.669 63.100 -0.050 0.000 0.779 2227 P CB -0.694 30.986 31.700 -0.034 0.000 0.745 2228 Y N 2.636 122.906 120.300 -0.049 0.000 2.562 2228 Y HA 0.835 5.385 4.550 -0.000 0.000 0.343 2228 Y C -0.617 175.276 175.900 -0.012 0.000 1.025 2228 Y CA -1.759 56.311 58.100 -0.050 0.000 1.082 2228 Y CB 1.447 39.888 38.460 -0.032 0.000 1.264 2228 Y HN 0.104 nan 8.280 nan 0.000 0.478 2229 I N 4.024 124.728 120.570 0.223 0.000 2.529 2229 I HA 0.369 4.539 4.170 -0.000 0.000 0.284 2229 I C -1.417 174.844 176.117 0.242 0.000 1.088 2229 I CA -0.543 60.846 61.300 0.149 0.000 1.062 2229 I CB 1.803 39.851 38.000 0.079 0.000 1.218 2229 I HN 0.588 nan 8.210 nan 0.000 0.442 2230 I N 7.410 128.117 120.570 0.227 0.000 2.466 2230 I HA 0.330 4.500 4.170 -0.000 0.000 0.279 2230 I C -2.525 173.691 176.117 0.165 0.000 1.033 2230 I CA -1.862 59.567 61.300 0.216 0.000 1.123 2230 I CB 1.648 39.746 38.000 0.164 0.000 1.237 2230 I HN 0.190 nan 8.210 nan 0.000 0.460 2231 P HA 0.070 nan 4.420 nan 0.000 0.261 2231 P C 0.350 177.790 177.300 0.233 0.000 1.203 2231 P CA 0.237 63.416 63.100 0.131 0.000 0.767 2231 P CB 0.736 32.501 31.700 0.108 0.000 0.785 2232 G N 1.946 110.846 108.800 0.166 0.000 2.671 2232 G HA2 0.348 4.308 3.960 -0.000 0.000 0.275 2232 G HA3 0.348 4.308 3.960 -0.000 0.000 0.275 2232 G C 1.078 175.982 174.900 0.006 0.000 1.368 2232 G CA -0.088 45.152 45.100 0.233 0.000 1.044 2232 G HN 0.394 nan 8.290 nan 0.000 0.543 2233 T N -1.968 112.561 114.554 -0.041 0.000 2.668 2233 T HA -0.100 4.250 4.350 -0.000 0.000 0.262 2233 T C 1.875 176.497 174.700 -0.131 0.000 1.045 2233 T CA 1.407 63.378 62.100 -0.215 0.000 1.152 2233 T CB -0.179 68.603 68.868 -0.143 0.000 0.864 2233 T HN 0.273 nan 8.240 nan 0.000 0.419 2234 Q N 1.047 120.812 119.800 -0.059 0.000 2.376 2234 Q HA 0.304 4.644 4.340 -0.000 0.000 0.206 2234 Q C 1.274 177.252 176.000 -0.038 0.000 0.921 2234 Q CA 0.810 56.587 55.803 -0.045 0.000 0.911 2234 Q CB 0.354 29.079 28.738 -0.022 0.000 1.032 2234 Q HN 0.698 nan 8.270 nan 0.000 0.510 2235 T N -1.867 112.670 114.554 -0.028 0.000 2.731 2235 T HA 0.543 4.893 4.350 -0.000 0.000 0.300 2235 T C -1.504 173.184 174.700 -0.019 0.000 1.283 2235 T CA -0.695 61.390 62.100 -0.025 0.000 1.005 2235 T CB 1.416 70.282 68.868 -0.005 0.000 1.420 2235 T HN -0.228 nan 8.240 nan 0.000 0.503 2236 V N 2.572 122.467 119.914 -0.031 0.000 2.384 2236 V HA 0.506 4.625 4.120 -0.000 0.000 0.287 2236 V C 0.251 176.353 176.094 0.012 0.000 1.020 2236 V CA -0.640 61.647 62.300 -0.022 0.000 0.850 2236 V CB 1.533 33.296 31.823 -0.099 0.000 0.987 2236 V HN 1.066 nan 8.190 nan 0.000 0.436 2237 T N 6.709 121.294 114.554 0.052 0.000 2.780 2237 T HA 0.590 4.940 4.350 -0.000 0.000 0.294 2237 T C -0.425 174.295 174.700 0.035 0.000 0.949 2237 T CA -0.242 61.897 62.100 0.064 0.000 1.074 2237 T CB 0.833 69.772 68.868 0.118 0.000 0.910 2237 T HN 0.185 nan 8.240 nan 0.000 0.501 2238 L N 2.757 123.962 121.223 -0.031 0.000 2.334 2238 L HA 0.873 5.212 4.340 -0.000 0.000 0.276 2238 L C 0.663 177.338 176.870 -0.325 0.000 1.014 2238 L CA 0.127 54.877 54.840 -0.151 0.000 0.815 2238 L CB 1.687 43.698 42.059 -0.079 0.000 1.268 2238 L HN 0.910 nan 8.230 nan 0.000 0.428 2239 G N -0.180 108.176 108.800 -0.741 0.000 2.650 2239 G HA2 0.565 4.525 3.960 -0.000 0.000 0.310 2239 G HA3 0.565 4.525 3.960 -0.000 0.000 0.310 2239 G C -0.388 173.999 174.900 -0.854 0.000 1.270 2239 G CA 0.005 44.535 45.100 -0.951 0.000 0.810 2239 G HN 1.037 nan 8.290 nan 0.000 0.493 2240 G N -0.728 107.801 108.800 -0.450 0.000 2.441 2240 G HA2 0.176 4.135 3.960 -0.000 0.000 0.139 2240 G HA3 0.176 4.135 3.960 -0.000 0.000 0.139 2240 G C -0.579 174.404 174.900 0.139 0.000 1.067 2240 G CA -0.099 45.023 45.100 0.037 0.000 0.766 2240 G HN 0.886 nan 8.290 nan 0.000 0.484 2241 I N 0.500 121.196 120.570 0.209 0.000 2.478 2241 I HA 0.613 4.783 4.170 -0.000 0.000 0.287 2241 I C -1.099 175.191 176.117 0.289 0.000 1.042 2241 I CA -1.056 60.362 61.300 0.196 0.000 1.067 2241 I CB 1.605 39.667 38.000 0.103 0.000 1.233 2241 I HN 0.158 nan 8.210 nan 0.000 0.431 2242 F N 6.116 126.146 119.950 0.133 0.000 2.579 2242 F HA 0.486 5.013 4.527 -0.000 0.000 0.325 2242 F C -0.908 174.947 175.800 0.091 0.000 1.162 2242 F CA -0.154 57.929 58.000 0.138 0.000 0.946 2242 F CB 1.497 40.610 39.000 0.189 0.000 1.211 2242 F HN 0.413 nan 8.300 nan 0.000 0.447 2243 Q N 7.013 126.677 119.800 -0.227 0.000 2.350 2243 Q HA 0.398 4.738 4.340 -0.000 0.000 0.255 2243 Q C -1.271 174.574 176.000 -0.258 0.000 0.951 2243 Q CA -0.642 55.100 55.803 -0.101 0.000 0.751 2243 Q CB 2.639 31.361 28.738 -0.028 0.000 1.296 2243 Q HN 0.645 nan 8.270 nan 0.000 0.453 2244 L N 1.458 122.598 121.223 -0.138 0.000 2.410 2244 L HA 0.274 4.613 4.340 -0.000 0.000 0.273 2244 L C 1.246 178.033 176.870 -0.138 0.000 1.152 2244 L CA 0.904 55.656 54.840 -0.147 0.000 0.855 2244 L CB 0.431 42.500 42.059 0.016 0.000 1.129 2244 L HN 1.063 nan 8.230 nan 0.000 0.463 2245 G N 2.190 110.843 108.800 -0.246 0.000 2.159 2245 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.256 2245 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.256 2245 G C 0.345 175.138 174.900 -0.177 0.000 0.977 2245 G CA -0.094 44.885 45.100 -0.203 0.000 0.652 2245 G HN 0.667 nan 8.290 nan 0.000 0.531 2246 N N -0.001 118.570 118.700 -0.215 0.000 2.469 2246 N HA 0.266 5.006 4.740 -0.000 0.000 0.239 2246 N C 0.452 175.850 175.510 -0.187 0.000 1.053 2246 N CA -0.477 52.517 53.050 -0.094 0.000 0.937 2246 N CB 0.125 38.600 38.487 -0.020 0.000 1.163 2246 N HN 0.377 nan 8.380 nan 0.000 0.509 2247 W N 1.876 123.072 121.300 -0.174 0.000 3.405 2247 W HA 0.148 4.808 4.660 -0.000 0.000 0.300 2247 W C 1.203 177.684 176.519 -0.063 0.000 1.286 2247 W CA -0.350 56.748 57.345 -0.410 0.000 1.762 2247 W CB 0.302 29.571 29.460 -0.317 0.000 1.087 2247 W HN 0.371 nan 8.180 nan 0.000 0.703 2248 S N 1.669 117.565 115.700 0.327 0.000 2.700 2248 S HA -0.007 4.463 4.470 -0.000 0.000 0.321 2248 S C 0.341 175.221 174.600 0.466 0.000 1.161 2248 S CA -0.328 58.080 58.200 0.347 0.000 1.078 2248 S CB -0.136 63.186 63.200 0.204 0.000 1.302 2248 S HN 0.267 nan 8.310 nan 0.000 0.540 2249 E N 4.631 125.174 120.200 0.572 0.000 2.148 2249 E HA 0.286 4.635 4.350 -0.000 0.000 0.308 2249 E C -0.817 175.879 176.600 0.160 0.000 1.278 2249 E CA -0.233 56.361 56.400 0.323 0.000 1.368 2249 E CB -0.071 29.869 29.700 0.400 0.000 1.229 2249 E HN 0.538 nan 8.360 nan 0.000 0.494 2250 L N 2.729 124.021 121.223 0.115 0.000 2.588 2250 L HA 0.364 4.704 4.340 -0.000 0.000 0.263 2250 L C -1.510 175.394 176.870 0.057 0.000 0.935 2250 L CA -0.760 54.127 54.840 0.078 0.000 0.891 2250 L CB 1.620 43.732 42.059 0.089 0.000 1.318 2250 L HN 0.056 nan 8.230 nan 0.000 0.409 2251 N N 2.953 121.675 118.700 0.037 0.000 2.458 2251 N HA 0.106 4.846 4.740 -0.000 0.000 0.258 2251 N C -0.596 174.940 175.510 0.044 0.000 1.219 2251 N CA 0.302 53.374 53.050 0.037 0.000 0.902 2251 N CB 0.455 38.961 38.487 0.032 0.000 1.076 2251 N HN 0.746 nan 8.380 nan 0.000 0.455 2252 N N 2.117 120.851 118.700 0.056 0.000 2.362 2252 N HA 0.218 4.958 4.740 -0.000 0.000 0.298 2252 N C 0.890 176.443 175.510 0.071 0.000 1.048 2252 N CA -0.606 52.479 53.050 0.057 0.000 0.858 2252 N CB 0.866 39.391 38.487 0.063 0.000 1.218 2252 N HN 0.278 nan 8.380 nan 0.000 0.488 2253 I N 1.974 122.574 120.570 0.050 0.000 2.286 2253 I HA -0.176 3.993 4.170 -0.000 0.000 0.248 2253 I C 1.509 177.691 176.117 0.107 0.000 1.115 2253 I CA 1.310 62.644 61.300 0.057 0.000 1.392 2253 I CB -0.579 37.421 38.000 -0.000 0.000 1.065 2253 I HN 0.733 nan 8.210 nan 0.000 0.418 2254 Q N 0.595 120.445 119.800 0.084 0.000 2.124 2254 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 2254 Q C 1.815 177.875 176.000 0.100 0.000 0.977 2254 Q CA 1.484 57.339 55.803 0.087 0.000 0.850 2254 Q CB -0.324 28.455 28.738 0.068 0.000 0.901 2254 Q HN 0.457 nan 8.270 nan 0.000 0.429 2255 D N -1.350 119.110 120.400 0.100 0.000 2.117 2255 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 2255 D C 1.735 178.099 176.300 0.106 0.000 0.982 2255 D CA 1.216 55.271 54.000 0.091 0.000 0.828 2255 D CB -0.343 40.504 40.800 0.077 0.000 0.967 2255 D HN 0.421 nan 8.370 nan 0.000 0.464 2256 H N 1.467 120.564 119.070 0.044 0.000 2.265 2256 H HA -0.128 4.428 4.556 -0.000 0.000 0.295 2256 H C 1.709 177.095 175.328 0.096 0.000 1.084 2256 H CA 2.241 58.320 56.048 0.051 0.000 1.261 2256 H CB 0.022 29.793 29.762 0.015 0.000 1.360 2256 H HN -0.030 nan 8.280 nan 0.000 0.487 2257 N N -0.484 118.350 118.700 0.222 0.000 2.192 2257 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 2257 N C 1.827 177.411 175.510 0.123 0.000 1.013 2257 N CA 1.718 54.879 53.050 0.185 0.000 0.863 2257 N CB -0.587 38.001 38.487 0.168 0.000 0.990 2257 N HN 0.476 nan 8.380 nan 0.000 0.430 2258 T N 2.249 116.854 114.554 0.086 0.000 2.732 2258 T HA 0.032 4.382 4.350 -0.000 0.000 0.261 2258 T C 2.012 176.728 174.700 0.027 0.000 1.040 2258 T CA 0.459 62.594 62.100 0.058 0.000 1.145 2258 T CB -0.002 68.900 68.868 0.056 0.000 0.866 2258 T HN 0.077 nan 8.240 nan 0.000 0.427 2259 I N 0.435 121.005 120.570 -0.000 0.000 2.091 2259 I HA -0.215 3.955 4.170 -0.000 0.000 0.239 2259 I C 2.329 178.439 176.117 -0.012 0.000 1.061 2259 I CA 1.497 62.770 61.300 -0.045 0.000 1.317 2259 I CB -1.349 36.607 38.000 -0.073 0.000 1.031 2259 I HN 0.505 nan 8.210 nan 0.000 0.401 2260 W N 2.171 123.352 121.300 -0.198 0.000 2.333 2260 W HA -0.236 4.424 4.660 -0.000 0.000 0.316 2260 W C 2.430 178.912 176.519 -0.062 0.000 1.215 2260 W CA 1.796 59.048 57.345 -0.155 0.000 1.278 2260 W CB -0.114 29.219 29.460 -0.213 0.000 1.154 2260 W HN 0.242 nan 8.180 nan 0.000 0.486 2261 E N -0.638 119.592 120.200 0.051 0.000 2.150 2261 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 2261 E C 2.400 178.965 176.600 -0.059 0.000 0.985 2261 E CA 1.309 57.702 56.400 -0.012 0.000 0.814 2261 E CB -0.698 29.050 29.700 0.079 0.000 0.752 2261 E HN 0.318 nan 8.360 nan 0.000 0.466 2262 G N -0.011 108.763 108.800 -0.043 0.000 2.394 2262 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 2262 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 2262 G C 1.614 176.470 174.900 -0.073 0.000 1.165 2262 G CA 0.673 45.752 45.100 -0.034 0.000 0.784 2262 G HN 0.312 nan 8.290 nan 0.000 0.535 2263 C N -0.083 119.132 119.300 -0.141 0.000 2.457 2263 C HA 0.029 4.489 4.460 -0.000 0.000 0.278 2263 C C 3.010 177.874 174.990 -0.210 0.000 1.309 2263 C CA 0.340 59.258 59.018 -0.168 0.000 1.735 2263 C CB -1.041 26.580 27.740 -0.198 0.000 1.992 2263 C HN 0.561 nan 8.230 nan 0.000 0.493 2264 C N 0.106 119.199 119.300 -0.345 0.000 2.432 2264 C HA -0.063 4.397 4.460 -0.000 0.000 0.282 2264 C C 2.820 177.722 174.990 -0.146 0.000 1.388 2264 C CA 0.873 59.684 59.018 -0.345 0.000 1.777 2264 C CB -1.499 25.923 27.740 -0.531 0.000 1.882 2264 C HN 0.611 nan 8.230 nan 0.000 0.520 2265 R N 0.120 120.567 120.500 -0.088 0.000 2.127 2265 R HA 0.094 4.434 4.340 -0.000 0.000 0.217 2265 R C 2.090 178.420 176.300 0.050 0.000 1.074 2265 R CA 0.681 56.776 56.100 -0.010 0.000 0.991 2265 R CB -0.195 30.111 30.300 0.010 0.000 0.895 2265 R HN 0.463 nan 8.270 nan 0.000 0.450 2266 L N 0.209 121.463 121.223 0.052 0.000 2.313 2266 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 2266 L C -0.191 176.780 176.870 0.169 0.000 1.119 2266 L CA 0.953 55.871 54.840 0.130 0.000 0.809 2266 L CB 0.311 42.398 42.059 0.047 0.000 0.933 2266 L HN 0.118 nan 8.230 nan 0.000 0.449 2267 E N -1.266 118.977 120.200 0.072 0.000 2.829 2267 E HA 0.179 4.529 4.350 -0.000 0.000 0.350 2267 E C -2.131 174.485 176.600 0.026 0.000 1.119 2267 E CA -1.394 55.054 56.400 0.080 0.000 0.764 2267 E CB 0.874 30.634 29.700 0.100 0.000 1.576 2267 E HN -0.136 nan 8.360 nan 0.000 0.379 2268 P HA -0.160 nan 4.420 nan 0.000 0.222 2268 P C 1.071 178.388 177.300 0.027 0.000 1.142 2268 P CA 1.656 64.754 63.100 -0.003 0.000 0.788 2268 P CB 0.133 31.831 31.700 -0.002 0.000 0.767 2269 T N -3.980 110.631 114.554 0.095 0.000 3.035 2269 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 2269 T C 1.560 176.459 174.700 0.331 0.000 1.109 2269 T CA 0.451 62.666 62.100 0.191 0.000 1.119 2269 T CB -0.884 68.161 68.868 0.295 0.000 0.900 2269 T HN -0.076 nan 8.240 nan 0.000 0.503 2270 L N 0.549 121.870 121.223 0.163 0.000 2.465 2270 L HA 0.326 4.666 4.340 -0.000 0.000 0.224 2270 L C 2.394 179.228 176.870 -0.059 0.000 1.145 2270 L CA 1.084 55.947 54.840 0.039 0.000 0.834 2270 L CB -0.723 41.223 42.059 -0.188 0.000 0.944 2270 L HN 0.150 nan 8.230 nan 0.000 0.451 2271 K N -0.272 120.108 120.400 -0.034 0.000 2.218 2271 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 2271 K C 1.342 178.124 176.600 0.305 0.000 1.046 2271 K CA 1.270 57.586 56.287 0.048 0.000 0.933 2271 K CB -0.047 32.486 32.500 0.055 0.000 0.728 2271 K HN 0.374 nan 8.250 nan 0.000 0.454 2272 N N -0.367 118.507 118.700 0.289 0.000 2.234 2272 N HA 0.124 4.864 4.740 -0.000 0.000 0.227 2272 N C -1.036 174.705 175.510 0.384 0.000 1.151 2272 N CA -0.019 53.215 53.050 0.307 0.000 0.865 2272 N CB 0.965 39.565 38.487 0.189 0.000 1.066 2272 N HN 0.054 nan 8.380 nan 0.000 0.515 2273 A N 1.367 124.462 122.820 0.459 0.000 2.409 2273 A HA 0.275 4.595 4.320 -0.000 0.000 0.262 2273 A C 0.470 178.259 177.584 0.342 0.000 1.113 2273 A CA -0.166 52.100 52.037 0.382 0.000 0.790 2273 A CB 0.410 19.561 19.000 0.251 0.000 1.046 2273 A HN 0.173 nan 8.150 nan 0.000 0.496 2274 R N 2.569 123.196 120.500 0.211 0.000 2.347 2274 R HA 0.348 4.688 4.340 -0.000 0.000 0.304 2274 R C -0.507 175.847 176.300 0.091 0.000 1.072 2274 R CA -0.273 55.902 56.100 0.125 0.000 0.980 2274 R CB -0.381 29.975 30.300 0.095 0.000 0.986 2274 R HN 0.626 nan 8.270 nan 0.000 0.448 2275 I N 6.288 126.875 120.570 0.029 0.000 2.533 2275 I HA -0.027 4.143 4.170 -0.000 0.000 0.284 2275 I C 0.928 177.055 176.117 0.017 0.000 1.109 2275 I CA 0.062 61.370 61.300 0.015 0.000 1.412 2275 I CB 0.669 38.631 38.000 -0.065 0.000 1.396 2275 I HN 0.603 nan 8.210 nan 0.000 0.543 2276 I N 4.107 124.694 120.570 0.029 0.000 4.032 2276 I HA 0.320 4.490 4.170 -0.000 0.000 0.313 2276 I C 0.943 177.071 176.117 0.018 0.000 1.272 2276 I CA 0.445 61.758 61.300 0.021 0.000 1.307 2276 I CB 0.287 38.300 38.000 0.022 0.000 1.155 2276 I HN 0.718 nan 8.210 nan 0.000 0.431 2277 G N 0.626 109.441 108.800 0.026 0.000 2.506 2277 G HA2 0.492 4.452 3.960 -0.000 0.000 0.292 2277 G HA3 0.492 4.452 3.960 -0.000 0.000 0.292 2277 G C -1.605 173.317 174.900 0.037 0.000 1.425 2277 G CA -0.327 44.788 45.100 0.025 0.000 0.788 2277 G HN 0.002 nan 8.290 nan 0.000 0.490 2278 E N -0.611 119.609 120.200 0.033 0.000 2.354 2278 E HA 0.620 4.970 4.350 -0.000 0.000 0.283 2278 E C -1.129 175.486 176.600 0.024 0.000 0.938 2278 E CA -0.836 55.589 56.400 0.042 0.000 0.777 2278 E CB 1.804 31.549 29.700 0.074 0.000 1.222 2278 E HN 0.387 nan 8.360 nan 0.000 0.423 2279 R N 1.284 121.793 120.500 0.015 0.000 2.707 2279 R HA 0.520 4.860 4.340 -0.000 0.000 0.272 2279 R C -1.241 175.038 176.300 -0.034 0.000 1.011 2279 R CA -0.750 55.345 56.100 -0.009 0.000 0.893 2279 R CB 2.113 32.408 30.300 -0.009 0.000 1.233 2279 R HN 0.545 nan 8.270 nan 0.000 0.464 2280 T N 0.130 114.637 114.554 -0.078 0.000 2.888 2280 T HA 0.786 5.136 4.350 -0.000 0.000 0.284 2280 T C -0.157 174.369 174.700 -0.289 0.000 1.017 2280 T CA -0.577 61.428 62.100 -0.158 0.000 1.022 2280 T CB 2.043 70.819 68.868 -0.154 0.000 1.013 2280 T HN 0.679 nan 8.240 nan 0.000 0.465 2281 G N 0.743 109.303 108.800 -0.400 0.000 2.694 2281 G HA2 0.687 4.647 3.960 -0.000 0.000 0.290 2281 G HA3 0.687 4.647 3.960 -0.000 0.000 0.290 2281 G C -1.939 172.530 174.900 -0.719 0.000 1.386 2281 G CA -0.672 44.127 45.100 -0.501 0.000 0.872 2281 G HN 0.487 nan 8.290 nan 0.000 0.475 2282 F N 0.668 120.532 119.950 -0.144 0.000 2.434 2282 F HA 0.492 5.019 4.527 -0.000 0.000 0.355 2282 F C 0.767 176.381 175.800 -0.309 0.000 1.115 2282 F CA -1.097 56.710 58.000 -0.321 0.000 1.010 2282 F CB 1.683 40.371 39.000 -0.519 0.000 1.234 2282 F HN 0.121 nan 8.300 nan 0.000 0.439 2283 R N 4.105 124.541 120.500 -0.107 0.000 2.421 2283 R HA 0.154 4.494 4.340 -0.000 0.000 0.305 2283 R C -2.281 173.948 176.300 -0.119 0.000 1.039 2283 R CA -1.410 54.635 56.100 -0.091 0.000 1.003 2283 R CB 0.117 30.400 30.300 -0.028 0.000 0.959 2283 R HN 0.242 nan 8.270 nan 0.000 0.427 2284 P HA 0.005 nan 4.420 nan 0.000 0.249 2284 P C -0.318 176.998 177.300 0.027 0.000 1.737 2284 P CA 0.019 63.086 63.100 -0.054 0.000 1.128 2284 P CB 0.200 31.922 31.700 0.036 0.000 1.942 2285 V N 4.592 124.520 119.914 0.022 0.000 2.521 2285 V HA 0.179 4.298 4.120 -0.000 0.000 0.286 2285 V C 1.009 177.178 176.094 0.124 0.000 1.034 2285 V CA 0.368 62.748 62.300 0.132 0.000 1.045 2285 V CB -0.119 31.809 31.823 0.175 0.000 0.974 2285 V HN 0.464 nan 8.190 nan 0.000 0.480 2286 R N 5.947 126.544 120.500 0.160 0.000 2.604 2286 R HA 0.401 4.741 4.340 -0.000 0.000 0.270 2286 R C -2.077 174.316 176.300 0.156 0.000 1.052 2286 R CA -1.349 54.834 56.100 0.139 0.000 0.902 2286 R CB 2.436 32.807 30.300 0.119 0.000 1.233 2286 R HN 0.430 nan 8.270 nan 0.000 0.455 2287 P HA -0.181 nan 4.420 nan 0.000 0.224 2287 P C -0.850 176.527 177.300 0.129 0.000 1.142 2287 P CA 1.167 64.340 63.100 0.121 0.000 0.778 2287 P CB 0.214 31.962 31.700 0.080 0.000 0.764 2288 Q N -2.206 117.661 119.800 0.112 0.000 2.791 2288 Q HA 0.338 4.678 4.340 -0.000 0.000 0.280 2288 Q C -1.164 174.861 176.000 0.041 0.000 0.928 2288 Q CA -0.966 54.900 55.803 0.105 0.000 0.819 2288 Q CB 0.105 28.887 28.738 0.073 0.000 1.552 2288 Q HN -0.159 nan 8.270 nan 0.000 0.410 2289 I N 1.746 122.337 120.570 0.035 0.000 2.668 2289 I HA 0.052 4.222 4.170 -0.000 0.000 0.285 2289 I C 0.666 176.715 176.117 -0.113 0.000 1.168 2289 I CA 0.220 61.447 61.300 -0.121 0.000 1.424 2289 I CB 0.259 38.170 38.000 -0.148 0.000 1.377 2289 I HN 0.457 nan 8.210 nan 0.000 0.560 2290 R N 6.688 127.016 120.500 -0.286 0.000 2.612 2290 R HA 0.239 4.579 4.340 -0.000 0.000 0.273 2290 R C -1.194 174.966 176.300 -0.233 0.000 1.376 2290 R CA -0.544 55.354 56.100 -0.337 0.000 1.171 2290 R CB 0.046 29.922 30.300 -0.708 0.000 1.151 2290 R HN 0.410 nan 8.270 nan 0.000 0.560 2291 L N 5.391 126.575 121.223 -0.065 0.000 2.366 2291 L HA 0.370 4.710 4.340 -0.000 0.000 0.266 2291 L C -1.089 175.806 176.870 0.042 0.000 1.010 2291 L CA -0.079 54.749 54.840 -0.019 0.000 0.879 2291 L CB 0.844 42.855 42.059 -0.080 0.000 1.228 2291 L HN 0.712 nan 8.230 nan 0.000 0.439 2292 E N 3.482 123.712 120.200 0.050 0.000 2.409 2292 E HA 0.424 4.773 4.350 -0.000 0.000 0.280 2292 E C -1.317 175.340 176.600 0.095 0.000 1.079 2292 E CA -1.104 55.335 56.400 0.064 0.000 0.840 2292 E CB 1.306 31.031 29.700 0.042 0.000 1.309 2292 E HN 0.364 nan 8.360 nan 0.000 0.447 2293 R N 0.393 120.930 120.500 0.061 0.000 2.459 2293 R HA 0.363 4.703 4.340 -0.000 0.000 0.281 2293 R C -0.549 175.786 176.300 0.059 0.000 1.050 2293 R CA -0.311 55.814 56.100 0.043 0.000 1.055 2293 R CB 1.092 31.395 30.300 0.005 0.000 1.045 2293 R HN 0.611 nan 8.270 nan 0.000 0.495 2294 E N 2.298 122.523 120.200 0.041 0.000 2.317 2294 E HA 0.022 4.372 4.350 -0.000 0.000 0.270 2294 E C -1.062 175.522 176.600 -0.026 0.000 0.899 2294 E CA -0.732 55.691 56.400 0.039 0.000 0.814 2294 E CB 1.009 30.798 29.700 0.148 0.000 1.296 2294 E HN 0.393 nan 8.360 nan 0.000 0.404 2295 Q N 4.654 124.439 119.800 -0.025 0.000 2.300 2295 Q HA 0.136 4.475 4.340 -0.000 0.000 0.262 2295 Q C -0.604 175.375 176.000 -0.035 0.000 1.109 2295 Q CA -0.038 55.741 55.803 -0.039 0.000 0.905 2295 Q CB 0.804 29.523 28.738 -0.031 0.000 1.280 2295 Q HN 0.532 nan 8.270 nan 0.000 0.426 2296 L N 3.690 124.879 121.223 -0.057 0.000 2.277 2296 L HA 0.366 4.706 4.340 -0.000 0.000 0.284 2296 L C -0.095 176.762 176.870 -0.021 0.000 1.028 2296 L CA -0.511 54.304 54.840 -0.042 0.000 0.835 2296 L CB 0.838 42.840 42.059 -0.094 0.000 1.215 2296 L HN 0.531 nan 8.230 nan 0.000 0.425 2297 R N 2.532 123.029 120.500 -0.004 0.000 2.399 2297 R HA 0.004 4.344 4.340 -0.000 0.000 0.324 2297 R C 0.324 176.629 176.300 0.010 0.000 1.030 2297 R CA 0.116 56.216 56.100 0.000 0.000 0.984 2297 R CB 0.498 30.800 30.300 0.004 0.000 0.961 2297 R HN 0.564 nan 8.270 nan 0.000 0.433 2298 T N 3.533 118.090 114.554 0.005 0.000 4.058 2298 T HA 0.191 4.541 4.350 -0.000 0.000 0.252 2298 T C 1.209 175.915 174.700 0.010 0.000 1.264 2298 T CA 0.578 62.685 62.100 0.012 0.000 1.094 2298 T CB -0.388 68.485 68.868 0.007 0.000 1.316 2298 T HN 0.870 nan 8.240 nan 0.000 0.872 2299 G N 4.348 113.155 108.800 0.012 0.000 2.646 2299 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.324 2299 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.324 2299 G C -0.716 174.186 174.900 0.004 0.000 1.195 2299 G CA 0.219 45.325 45.100 0.009 0.000 0.976 2299 G HN 0.562 nan 8.290 nan 0.000 0.546 2300 P HA -0.107 nan 4.420 nan 0.000 0.222 2300 P C 1.555 178.853 177.300 -0.004 0.000 1.159 2300 P CA 3.400 66.499 63.100 -0.001 0.000 0.920 2300 P CB -0.320 31.379 31.700 -0.001 0.000 0.793 2301 S N -2.920 112.777 115.700 -0.005 0.000 4.163 2301 S HA 0.443 4.913 4.470 -0.000 0.000 0.246 2301 S C -0.426 174.167 174.600 -0.012 0.000 1.069 2301 S CA -0.608 57.586 58.200 -0.010 0.000 1.544 2301 S CB 0.530 63.722 63.200 -0.014 0.000 1.166 2301 S HN 0.094 nan 8.310 nan 0.000 0.747 2302 N N 0.622 119.310 118.700 -0.019 0.000 2.258 2302 N HA 0.582 5.322 4.740 -0.000 0.000 0.299 2302 N C -1.658 173.832 175.510 -0.033 0.000 1.047 2302 N CA -0.233 52.801 53.050 -0.026 0.000 0.814 2302 N CB 2.192 40.661 38.487 -0.031 0.000 1.413 2302 N HN 0.829 nan 8.380 nan 0.000 0.478 2303 T N 0.195 114.727 114.554 -0.037 0.000 2.812 2303 T HA 0.439 4.789 4.350 -0.000 0.000 0.282 2303 T C -0.538 174.117 174.700 -0.074 0.000 0.990 2303 T CA -0.951 61.120 62.100 -0.048 0.000 0.960 2303 T CB 1.296 70.143 68.868 -0.035 0.000 0.948 2303 T HN 0.336 nan 8.240 nan 0.000 0.438 2304 E N 2.058 122.209 120.200 -0.081 0.000 2.313 2304 E HA 0.431 4.781 4.350 -0.000 0.000 0.276 2304 E C -0.572 175.950 176.600 -0.130 0.000 1.031 2304 E CA -0.428 55.914 56.400 -0.097 0.000 0.857 2304 E CB 1.861 31.503 29.700 -0.097 0.000 1.040 2304 E HN 0.497 nan 8.360 nan 0.000 0.408 2305 V N 4.748 124.555 119.914 -0.178 0.000 2.531 2305 V HA 0.394 4.514 4.120 -0.000 0.000 0.301 2305 V C 0.017 175.966 176.094 -0.242 0.000 1.034 2305 V CA -0.662 61.456 62.300 -0.302 0.000 0.865 2305 V CB 1.580 33.051 31.823 -0.587 0.000 0.995 2305 V HN 0.486 nan 8.190 nan 0.000 0.424 2306 I N 4.500 124.947 120.570 -0.205 0.000 2.355 2306 I HA 0.440 4.609 4.170 -0.000 0.000 0.288 2306 I C -0.401 175.639 176.117 -0.127 0.000 0.999 2306 I CA -0.545 60.698 61.300 -0.095 0.000 1.163 2306 I CB 1.088 39.080 38.000 -0.013 0.000 1.316 2306 I HN 0.644 nan 8.210 nan 0.000 0.454 2307 H N 4.697 123.782 119.070 0.025 0.000 2.511 2307 H HA 0.372 4.927 4.556 -0.000 0.000 0.346 2307 H C 0.029 175.379 175.328 0.036 0.000 1.128 2307 H CA -0.346 55.761 56.048 0.098 0.000 1.342 2307 H CB 0.748 30.554 29.762 0.074 0.000 1.470 2307 H HN 0.404 nan 8.280 nan 0.000 0.546 2308 N N 2.147 120.993 118.700 0.243 0.000 2.732 2308 N HA 0.060 4.800 4.740 -0.000 0.000 0.235 2308 N C -1.963 173.770 175.510 0.372 0.000 1.466 2308 N CA -0.516 52.650 53.050 0.193 0.000 0.751 2308 N CB 0.066 38.638 38.487 0.142 0.000 1.317 2308 N HN 0.582 nan 8.380 nan 0.000 0.525 2309 Y N -1.701 118.761 120.300 0.270 0.000 2.615 2309 Y HA 0.750 5.300 4.550 -0.000 0.000 0.341 2309 Y C 0.702 176.686 175.900 0.140 0.000 1.089 2309 Y CA -0.937 57.325 58.100 0.269 0.000 1.049 2309 Y CB 0.994 39.588 38.460 0.224 0.000 1.296 2309 Y HN 0.169 nan 8.280 nan 0.000 0.470 2310 G N 1.348 110.380 108.800 0.387 0.000 2.325 2310 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 2310 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 2310 G C -0.554 174.314 174.900 -0.054 0.000 1.108 2310 G CA 0.178 45.376 45.100 0.165 0.000 0.881 2310 G HN 1.025 nan 8.290 nan 0.000 0.494 2311 H N -0.150 118.860 119.070 -0.099 0.000 2.526 2311 H HA 0.426 4.982 4.556 -0.000 0.000 0.274 2311 H C 2.217 177.152 175.328 -0.654 0.000 0.999 2311 H CA 1.118 56.926 56.048 -0.399 0.000 1.157 2311 H CB 0.221 29.802 29.762 -0.302 0.000 1.407 2311 H HN 1.232 nan 8.280 nan 0.000 0.568 2312 G N 0.743 109.450 108.800 -0.155 0.000 2.685 2312 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.329 2312 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.329 2312 G C 1.458 176.326 174.900 -0.053 0.000 1.271 2312 G CA 0.455 45.553 45.100 -0.004 0.000 1.003 2312 G HN 0.585 nan 8.290 nan 0.000 0.549 2313 G N -0.571 108.301 108.800 0.121 0.000 3.371 2313 G HA2 0.480 4.440 3.960 -0.000 0.000 0.248 2313 G HA3 0.480 4.440 3.960 -0.000 0.000 0.248 2313 G C 0.548 175.378 174.900 -0.117 0.000 1.161 2313 G CA 1.218 46.268 45.100 -0.084 0.000 0.796 2313 G HN 1.420 nan 8.290 nan 0.000 0.539 2314 Y N -3.468 116.776 120.300 -0.093 0.000 2.768 2314 Y HA 0.429 4.979 4.550 -0.000 0.000 0.249 2314 Y C 1.596 177.458 175.900 -0.063 0.000 1.146 2314 Y CA -1.027 56.974 58.100 -0.164 0.000 1.171 2314 Y CB -0.201 38.079 38.460 -0.299 0.000 1.249 2314 Y HN -0.067 nan 8.280 nan 0.000 0.567 2315 G N 2.130 110.832 108.800 -0.163 0.000 2.574 2315 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 2315 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 2315 G C 1.392 176.345 174.900 0.090 0.000 1.173 2315 G CA 1.735 46.800 45.100 -0.059 0.000 0.772 2315 G HN 0.334 nan 8.290 nan 0.000 0.585 2316 L N 0.815 122.094 121.223 0.094 0.000 2.083 2316 L HA -0.040 4.299 4.340 -0.000 0.000 0.209 2316 L C 3.090 180.111 176.870 0.251 0.000 1.083 2316 L CA 2.014 56.997 54.840 0.237 0.000 0.752 2316 L CB -1.595 40.513 42.059 0.081 0.000 0.899 2316 L HN 0.219 nan 8.230 nan 0.000 0.433 2317 T N -0.770 113.803 114.554 0.031 0.000 2.915 2317 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 2317 T C 1.855 176.557 174.700 0.004 0.000 1.071 2317 T CA 1.064 63.044 62.100 -0.200 0.000 1.132 2317 T CB 0.121 68.617 68.868 -0.620 0.000 0.878 2317 T HN 0.203 nan 8.240 nan 0.000 0.479 2318 I N 0.054 120.709 120.570 0.141 0.000 4.288 2318 I HA 0.100 4.270 4.170 -0.000 0.000 0.331 2318 I C 1.936 178.174 176.117 0.202 0.000 1.322 2318 I CA -0.034 61.419 61.300 0.255 0.000 1.149 2318 I CB 0.217 38.487 38.000 0.451 0.000 1.112 2318 I HN 0.287 nan 8.210 nan 0.000 0.403 2319 H N -0.625 118.583 119.070 0.230 0.000 2.357 2319 H HA -0.306 4.250 4.556 -0.000 0.000 0.296 2319 H C 2.021 177.508 175.328 0.266 0.000 1.108 2319 H CA 2.298 58.455 56.048 0.181 0.000 1.273 2319 H CB -1.021 28.867 29.762 0.211 0.000 1.367 2319 H HN 0.509 nan 8.280 nan 0.000 0.498 2320 W N 2.527 123.636 121.300 -0.319 0.000 2.379 2320 W HA -0.103 4.557 4.660 -0.000 0.000 0.307 2320 W C 2.543 179.028 176.519 -0.057 0.000 1.200 2320 W CA 1.304 58.598 57.345 -0.085 0.000 1.297 2320 W CB -0.405 28.981 29.460 -0.124 0.000 1.140 2320 W HN 0.459 nan 8.180 nan 0.000 0.507 2321 G N 0.645 109.491 108.800 0.076 0.000 2.514 2321 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.217 2321 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.217 2321 G C 1.429 175.997 174.900 -0.554 0.000 1.198 2321 G CA 1.768 46.831 45.100 -0.062 0.000 0.780 2321 G HN 0.357 nan 8.290 nan 0.000 0.565 2322 C N 1.043 120.000 119.300 -0.572 0.000 2.413 2322 C HA 0.115 4.575 4.460 -0.000 0.000 0.276 2322 C C 3.555 178.307 174.990 -0.397 0.000 1.248 2322 C CA 0.874 59.491 59.018 -0.669 0.000 1.742 2322 C CB -1.216 26.400 27.740 -0.207 0.000 2.017 2322 C HN 0.596 nan 8.230 nan 0.000 0.481 2323 A N 0.469 123.133 122.820 -0.260 0.000 1.877 2323 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 2323 A C 2.155 179.506 177.584 -0.388 0.000 1.186 2323 A CA 1.560 53.444 52.037 -0.256 0.000 0.620 2323 A CB -0.691 18.199 19.000 -0.183 0.000 0.822 2323 A HN 0.606 nan 8.150 nan 0.000 0.443 2324 L N -0.846 120.043 121.223 -0.558 0.000 2.042 2324 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 2324 L C 2.709 179.432 176.870 -0.246 0.000 1.076 2324 L CA 1.808 56.365 54.840 -0.471 0.000 0.749 2324 L CB -0.449 41.308 42.059 -0.503 0.000 0.893 2324 L HN 0.532 nan 8.230 nan 0.000 0.432 2325 E N 0.603 120.640 120.200 -0.271 0.000 2.017 2325 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 2325 E C 2.121 178.658 176.600 -0.104 0.000 0.997 2325 E CA 1.779 58.075 56.400 -0.173 0.000 0.804 2325 E CB -0.264 29.227 29.700 -0.350 0.000 0.757 2325 E HN 0.337 nan 8.360 nan 0.000 0.448 2326 A N 0.868 123.601 122.820 -0.144 0.000 1.948 2326 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 2326 A C 2.457 180.053 177.584 0.019 0.000 1.177 2326 A CA 2.500 54.503 52.037 -0.058 0.000 0.636 2326 A CB -1.144 17.812 19.000 -0.072 0.000 0.815 2326 A HN 0.426 nan 8.150 nan 0.000 0.449 2327 A N -0.512 122.310 122.820 0.003 0.000 1.877 2327 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 2327 A C 2.117 179.869 177.584 0.278 0.000 1.186 2327 A CA 2.017 54.141 52.037 0.146 0.000 0.620 2327 A CB -0.480 18.573 19.000 0.089 0.000 0.822 2327 A HN 0.537 nan 8.150 nan 0.000 0.443 2328 K N -0.428 120.061 120.400 0.148 0.000 2.020 2328 K HA -0.117 4.203 4.320 -0.000 0.000 0.212 2328 K C 1.914 178.585 176.600 0.117 0.000 1.050 2328 K CA 1.687 58.062 56.287 0.146 0.000 0.929 2328 K CB -0.371 32.174 32.500 0.075 0.000 0.714 2328 K HN 0.484 nan 8.250 nan 0.000 0.443 2329 L N -0.076 121.193 121.223 0.078 0.000 2.079 2329 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 2329 L C 2.359 179.239 176.870 0.017 0.000 1.081 2329 L CA 1.201 56.066 54.840 0.042 0.000 0.752 2329 L CB -0.486 41.595 42.059 0.036 0.000 0.896 2329 L HN 0.243 nan 8.230 nan 0.000 0.433 2330 F N 1.015 120.900 119.950 -0.108 0.000 2.126 2330 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 2330 F C 2.254 177.855 175.800 -0.332 0.000 1.096 2330 F CA 1.535 59.404 58.000 -0.218 0.000 1.255 2330 F CB -0.653 38.194 39.000 -0.254 0.000 0.997 2330 F HN 0.010 nan 8.300 nan 0.000 0.479 2331 G N 1.013 109.696 108.800 -0.195 0.000 2.553 2331 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.218 2331 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.218 2331 G C 1.767 176.545 174.900 -0.203 0.000 1.195 2331 G CA 1.077 46.071 45.100 -0.177 0.000 0.779 2331 G HN 0.247 nan 8.290 nan 0.000 0.577 2332 R N 0.545 120.975 120.500 -0.117 0.000 2.103 2332 R HA -0.079 4.261 4.340 -0.000 0.000 0.242 2332 R C 2.600 178.795 176.300 -0.175 0.000 1.142 2332 R CA 1.233 57.269 56.100 -0.106 0.000 0.960 2332 R CB -1.222 29.043 30.300 -0.060 0.000 0.858 2332 R HN 0.516 nan 8.270 nan 0.000 0.439 2333 I N 1.101 121.513 120.570 -0.263 0.000 2.163 2333 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 2333 I C 2.462 178.376 176.117 -0.339 0.000 1.085 2333 I CA 1.351 62.467 61.300 -0.308 0.000 1.347 2333 I CB -0.442 37.318 38.000 -0.400 0.000 1.044 2333 I HN 0.053 nan 8.210 nan 0.000 0.408 2334 L N 0.675 121.619 121.223 -0.466 0.000 1.994 2334 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 2334 L C 2.771 179.523 176.870 -0.197 0.000 1.071 2334 L CA 1.988 56.609 54.840 -0.365 0.000 0.745 2334 L CB -0.901 40.910 42.059 -0.413 0.000 0.892 2334 L HN 0.393 nan 8.230 nan 0.000 0.431 2335 E N 0.411 120.519 120.200 -0.152 0.000 2.118 2335 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 2335 E C 1.799 178.349 176.600 -0.083 0.000 0.992 2335 E CA 1.440 57.788 56.400 -0.088 0.000 0.804 2335 E CB -0.372 29.294 29.700 -0.056 0.000 0.741 2335 E HN 0.539 nan 8.360 nan 0.000 0.458 2336 E N 0.962 121.102 120.200 -0.100 0.000 2.058 2336 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 2336 E C 1.776 178.327 176.600 -0.081 0.000 0.997 2336 E CA 1.262 57.612 56.400 -0.084 0.000 0.801 2336 E CB -0.005 29.641 29.700 -0.090 0.000 0.746 2336 E HN 0.046 nan 8.360 nan 0.000 0.450 2337 K N 0.779 121.117 120.400 -0.103 0.000 2.555 2337 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 2337 K C -0.637 175.920 176.600 -0.071 0.000 1.032 2337 K CA 0.273 56.506 56.287 -0.089 0.000 1.004 2337 K CB 0.145 32.578 32.500 -0.111 0.000 0.804 2337 K HN -0.040 nan 8.250 nan 0.000 0.496 2338 K N -0.101 120.260 120.400 -0.066 0.000 4.854 2338 K HA -0.189 4.131 4.320 -0.000 0.000 0.338 2338 K C -0.569 176.004 176.600 -0.046 0.000 1.013 2338 K CA 0.375 56.633 56.287 -0.048 0.000 1.072 2338 K CB -1.546 30.932 32.500 -0.036 0.000 1.642 2338 K HN 0.149 nan 8.250 nan 0.000 0.426 2339 L N 0.456 121.648 121.223 -0.051 0.000 2.416 2339 L HA 0.106 4.446 4.340 -0.000 0.000 0.286 2339 L C -0.142 176.708 176.870 -0.033 0.000 1.340 2339 L CA 0.109 54.926 54.840 -0.039 0.000 0.633 2339 L 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