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 1fww_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX XXXXXXGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.695 176.600 0.158 0.000 0.988 2003 K CA 0.000 56.368 56.287 0.136 0.000 0.838 2003 K CB 0.000 32.575 32.500 0.126 0.000 1.064 2004 F N 1.876 121.841 119.950 0.025 0.000 2.623 2004 F HA 0.112 4.640 4.527 0.001 0.000 0.383 2004 F C -0.150 175.616 175.800 -0.057 0.000 1.077 2004 F CA -0.240 57.759 58.000 -0.002 0.000 1.268 2004 F CB 0.452 39.442 39.000 -0.017 0.000 1.053 2004 F HN 0.447 nan 8.300 nan 0.000 0.571 2005 L N 6.877 127.750 121.223 -0.585 0.000 2.307 2005 L HA 0.547 4.887 4.340 0.001 0.000 0.282 2005 L C -1.154 175.328 176.870 -0.647 0.000 1.051 2005 L CA -0.400 54.152 54.840 -0.479 0.000 0.804 2005 L CB 1.509 43.364 42.059 -0.339 0.000 1.197 2005 L HN 0.371 nan 8.230 nan 0.000 0.431 2006 V N 6.753 126.364 119.914 -0.504 0.000 2.380 2006 V HA 0.408 4.528 4.120 0.001 0.000 0.286 2006 V C -0.141 175.763 176.094 -0.316 0.000 1.015 2006 V CA -0.427 61.593 62.300 -0.466 0.000 0.834 2006 V CB 1.417 32.827 31.823 -0.687 0.000 1.009 2006 V HN 0.551 nan 8.190 nan 0.000 0.428 2007 I N 4.667 125.083 120.570 -0.257 0.000 2.304 2007 I HA 0.776 4.946 4.170 0.001 0.000 0.291 2007 I C 0.382 176.265 176.117 -0.390 0.000 1.018 2007 I CA -0.034 61.112 61.300 -0.256 0.000 1.260 2007 I CB 1.384 39.273 38.000 -0.186 0.000 1.390 2007 I HN 0.688 nan 8.210 nan 0.000 0.475 2008 A N 4.693 127.314 122.820 -0.332 0.000 2.587 2008 A HA 1.009 5.330 4.320 0.001 0.000 0.293 2008 A C -0.383 176.895 177.584 -0.510 0.000 1.087 2008 A CA -0.310 51.495 52.037 -0.386 0.000 0.692 2008 A CB 2.037 20.936 19.000 -0.169 0.000 1.291 2008 A HN 0.902 nan 8.150 nan 0.000 0.407 2009 G N -0.015 108.469 108.800 -0.525 0.000 2.336 2009 G HA2 0.494 4.455 3.960 0.001 0.000 0.300 2009 G HA3 0.494 4.455 3.960 0.001 0.000 0.300 2009 G C -3.570 171.090 174.900 -0.400 0.000 1.375 2009 G CA -0.282 44.408 45.100 -0.683 0.000 0.885 2009 G HN 0.715 nan 8.290 nan 0.000 0.599 2010 P HA 0.214 nan 4.420 nan 0.000 0.271 2010 P C 1.395 178.675 177.300 -0.032 0.000 1.216 2010 P CA 0.076 63.135 63.100 -0.068 0.000 0.776 2010 P CB 1.565 33.270 31.700 0.009 0.000 0.881 2011 C N 3.400 122.719 119.300 0.033 0.000 2.367 2011 C HA -0.052 4.409 4.460 0.001 0.000 0.276 2011 C C 1.309 176.376 174.990 0.128 0.000 1.195 2011 C CA 1.805 60.871 59.018 0.079 0.000 1.756 2011 C CB -1.382 26.416 27.740 0.098 0.000 2.046 2011 C HN 0.706 nan 8.230 nan 0.000 0.453 2012 A N -0.625 122.305 122.820 0.183 0.000 2.354 2012 A HA 0.711 5.031 4.320 0.001 0.000 0.321 2012 A C -0.354 177.413 177.584 0.305 0.000 1.125 2012 A CA -0.609 51.592 52.037 0.273 0.000 0.799 2012 A CB 0.468 19.731 19.000 0.438 0.000 1.293 2012 A HN 0.465 nan 8.150 nan 0.000 0.452 2013 I N 2.212 123.007 120.570 0.375 0.000 2.270 2013 I HA 0.042 4.213 4.170 0.001 0.000 0.300 2013 I C 0.756 177.177 176.117 0.507 0.000 1.186 2013 I CA 0.236 61.779 61.300 0.406 0.000 1.431 2013 I CB -0.147 38.118 38.000 0.443 0.000 1.485 2013 I HN 0.836 nan 8.210 nan 0.000 0.650 2014 E N 3.129 123.545 120.200 0.360 0.000 2.338 2014 E HA -0.071 4.280 4.350 0.001 0.000 0.197 2014 E C 0.307 177.085 176.600 0.297 0.000 1.007 2014 E CA 0.421 56.987 56.400 0.276 0.000 0.849 2014 E CB 0.076 29.800 29.700 0.041 0.000 0.774 2014 E HN 0.710 nan 8.360 nan 0.000 0.506 2015 S N -0.737 115.127 115.700 0.274 0.000 2.715 2015 S HA -0.009 4.462 4.470 0.001 0.000 0.290 2015 S C 0.226 174.962 174.600 0.227 0.000 1.008 2015 S CA -0.666 57.674 58.200 0.233 0.000 0.850 2015 S CB 0.757 64.028 63.200 0.118 0.000 1.059 2015 S HN 0.229 nan 8.310 nan 0.000 0.455 2016 E N 1.079 121.397 120.200 0.196 0.000 2.333 2016 E HA -0.175 4.176 4.350 0.001 0.000 0.198 2016 E C 1.367 177.999 176.600 0.054 0.000 1.007 2016 E CA 1.129 57.563 56.400 0.056 0.000 0.845 2016 E CB -0.154 29.483 29.700 -0.105 0.000 0.766 2016 E HN 0.783 nan 8.360 nan 0.000 0.507 2017 E N 0.863 121.104 120.200 0.067 0.000 2.051 2017 E HA -0.229 4.122 4.350 0.001 0.000 0.192 2017 E C 2.117 178.744 176.600 0.046 0.000 0.991 2017 E CA 1.188 57.616 56.400 0.047 0.000 0.799 2017 E CB -0.094 29.634 29.700 0.046 0.000 0.748 2017 E HN 0.382 nan 8.360 nan 0.000 0.449 2018 L N 1.101 122.356 121.223 0.054 0.000 2.046 2018 L HA -0.147 4.193 4.340 0.001 0.000 0.208 2018 L C 2.207 179.114 176.870 0.061 0.000 1.077 2018 L CA 1.536 56.387 54.840 0.019 0.000 0.747 2018 L CB -0.421 41.644 42.059 0.010 0.000 0.896 2018 L HN 0.234 nan 8.230 nan 0.000 0.432 2019 L N -1.180 120.120 121.223 0.130 0.000 2.083 2019 L HA -0.238 4.103 4.340 0.001 0.000 0.209 2019 L C 2.544 179.461 176.870 0.078 0.000 1.083 2019 L CA 1.273 56.239 54.840 0.209 0.000 0.752 2019 L CB -0.692 41.470 42.059 0.170 0.000 0.899 2019 L HN 0.349 nan 8.230 nan 0.000 0.433 2020 L N -0.227 121.038 121.223 0.070 0.000 2.072 2020 L HA -0.195 4.146 4.340 0.001 0.000 0.205 2020 L C 2.730 179.658 176.870 0.097 0.000 1.079 2020 L CA 1.189 56.115 54.840 0.144 0.000 0.752 2020 L CB -0.465 41.664 42.059 0.117 0.000 0.906 2020 L HN 0.250 nan 8.230 nan 0.000 0.436 2021 K N 0.265 120.690 120.400 0.042 0.000 2.002 2021 K HA -0.155 4.166 4.320 0.001 0.000 0.209 2021 K C 2.003 178.576 176.600 -0.045 0.000 1.048 2021 K CA 1.508 57.793 56.287 -0.003 0.000 0.930 2021 K CB 0.017 32.505 32.500 -0.020 0.000 0.714 2021 K HN 0.060 nan 8.250 nan 0.000 0.438 2022 V N 0.639 120.551 119.914 -0.004 0.000 2.427 2022 V HA -0.147 3.973 4.120 0.001 0.000 0.248 2022 V C 2.384 178.489 176.094 0.017 0.000 1.051 2022 V CA 2.031 64.348 62.300 0.028 0.000 1.048 2022 V CB -0.772 31.116 31.823 0.108 0.000 0.666 2022 V HN 0.604 nan 8.190 nan 0.000 0.456 2023 G N -0.443 108.328 108.800 -0.049 0.000 2.432 2023 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 2023 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 2023 G C 1.511 175.770 174.900 -1.068 0.000 1.135 2023 G CA 0.963 45.794 45.100 -0.448 0.000 0.767 2023 G HN 0.605 nan 8.290 nan 0.000 0.550 2024 E N 0.194 119.849 120.200 -0.909 0.000 2.072 2024 E HA -0.159 4.192 4.350 0.001 0.000 0.191 2024 E C 2.254 178.595 176.600 -0.433 0.000 0.985 2024 E CA 1.360 57.289 56.400 -0.785 0.000 0.801 2024 E CB -0.122 29.441 29.700 -0.229 0.000 0.750 2024 E HN 0.395 nan 8.360 nan 0.000 0.452 2025 E N 0.770 120.806 120.200 -0.274 0.000 2.107 2025 E HA -0.113 4.238 4.350 0.001 0.000 0.191 2025 E C 1.909 178.388 176.600 -0.203 0.000 0.982 2025 E CA 1.163 57.458 56.400 -0.176 0.000 0.809 2025 E CB -0.234 29.405 29.700 -0.102 0.000 0.756 2025 E HN 0.425 nan 8.360 nan 0.000 0.459 2026 I N 0.250 120.691 120.570 -0.216 0.000 2.394 2026 I HA -0.209 3.962 4.170 0.001 0.000 0.251 2026 I C 2.192 178.074 176.117 -0.391 0.000 1.136 2026 I CA 0.984 62.146 61.300 -0.229 0.000 1.425 2026 I CB -0.218 37.764 38.000 -0.029 0.000 1.079 2026 I HN 0.078 nan 8.210 nan 0.000 0.425 2027 K N 1.575 121.741 120.400 -0.390 0.000 2.025 2027 K HA -0.190 4.131 4.320 0.001 0.000 0.207 2027 K C 2.186 178.625 176.600 -0.268 0.000 1.049 2027 K CA 1.504 57.600 56.287 -0.319 0.000 0.933 2027 K CB -0.321 31.975 32.500 -0.340 0.000 0.714 2027 K HN 0.064 nan 8.250 nan 0.000 0.438 2028 R N -0.202 120.151 120.500 -0.245 0.000 2.080 2028 R HA -0.114 4.227 4.340 0.001 0.000 0.236 2028 R C 1.932 178.103 176.300 -0.216 0.000 1.137 2028 R CA 1.662 57.653 56.100 -0.182 0.000 0.943 2028 R CB -0.380 29.836 30.300 -0.141 0.000 0.846 2028 R HN 0.158 nan 8.270 nan 0.000 0.431 2029 L N 0.711 121.785 121.223 -0.248 0.000 2.079 2029 L HA -0.148 4.193 4.340 0.001 0.000 0.210 2029 L C 2.521 179.170 176.870 -0.369 0.000 1.081 2029 L CA 1.729 56.460 54.840 -0.181 0.000 0.752 2029 L CB -1.500 40.514 42.059 -0.075 0.000 0.896 2029 L HN 0.289 nan 8.230 nan 0.000 0.433 2030 S N -0.743 114.522 115.700 -0.726 0.000 2.383 2030 S HA -0.171 4.300 4.470 0.001 0.000 0.229 2030 S C 1.782 176.305 174.600 -0.129 0.000 1.030 2030 S CA 1.149 59.015 58.200 -0.557 0.000 1.002 2030 S CB 0.055 63.015 63.200 -0.401 0.000 0.829 2030 S HN 0.424 nan 8.310 nan 0.000 0.467 2031 E N 0.772 120.882 120.200 -0.149 0.000 2.216 2031 E HA 0.005 4.355 4.350 0.001 0.000 0.192 2031 E C 1.940 178.467 176.600 -0.122 0.000 0.988 2031 E CA 0.614 56.960 56.400 -0.091 0.000 0.834 2031 E CB -0.207 29.438 29.700 -0.091 0.000 0.772 2031 E HN 0.595 nan 8.360 nan 0.000 0.479 2032 K N -0.225 120.037 120.400 -0.230 0.000 2.186 2032 K HA 0.010 4.331 4.320 0.001 0.000 0.202 2032 K C 0.060 176.347 176.600 -0.522 0.000 1.052 2032 K CA 0.469 56.487 56.287 -0.448 0.000 0.965 2032 K CB 0.205 32.281 32.500 -0.708 0.000 0.746 2032 K HN -0.064 nan 8.250 nan 0.000 0.457 2033 F N 1.599 121.618 119.950 0.114 0.000 2.389 2033 F HA 0.306 4.834 4.527 0.001 0.000 0.327 2033 F C 0.617 176.549 175.800 0.221 0.000 1.204 2033 F CA -0.893 57.224 58.000 0.195 0.000 1.209 2033 F CB 1.242 40.432 39.000 0.318 0.000 1.460 2033 F HN -0.239 nan 8.300 nan 0.000 0.537 2034 K N 0.456 120.995 120.400 0.233 0.000 2.280 2034 K HA -0.177 4.144 4.320 0.001 0.000 0.202 2034 K C 1.716 178.437 176.600 0.201 0.000 1.047 2034 K CA 0.888 57.288 56.287 0.187 0.000 0.942 2034 K CB 0.137 32.700 32.500 0.105 0.000 0.739 2034 K HN 0.427 nan 8.250 nan 0.000 0.457 2035 E N 0.595 120.926 120.200 0.218 0.000 2.274 2035 E HA -0.029 4.322 4.350 0.001 0.000 0.194 2035 E C -0.068 176.646 176.600 0.190 0.000 0.996 2035 E CA 0.183 56.689 56.400 0.177 0.000 0.840 2035 E CB 0.347 30.139 29.700 0.154 0.000 0.772 2035 E HN -0.123 nan 8.360 nan 0.000 0.491 2036 V N 1.295 121.354 119.914 0.242 0.000 2.539 2036 V HA 0.205 4.325 4.120 0.001 0.000 0.292 2036 V C 0.080 176.264 176.094 0.149 0.000 1.045 2036 V CA -0.614 61.775 62.300 0.147 0.000 0.945 2036 V CB 1.613 33.433 31.823 -0.004 0.000 0.993 2036 V HN 0.066 nan 8.190 nan 0.000 0.464 2037 E N 3.132 123.345 120.200 0.022 0.000 2.081 2037 E HA 0.374 4.725 4.350 0.001 0.000 0.276 2037 E C -1.454 175.124 176.600 -0.038 0.000 0.950 2037 E CA -0.483 55.960 56.400 0.071 0.000 0.776 2037 E CB 0.611 30.338 29.700 0.046 0.000 1.094 2037 E HN 0.492 nan 8.360 nan 0.000 0.402 2038 F N 2.861 122.837 119.950 0.043 0.000 2.385 2038 F HA 0.324 4.851 4.527 0.001 0.000 0.336 2038 F C 0.082 175.892 175.800 0.017 0.000 1.100 2038 F CA -0.535 57.477 58.000 0.021 0.000 1.116 2038 F CB 1.458 40.486 39.000 0.047 0.000 1.166 2038 F HN 0.126 nan 8.300 nan 0.000 0.511 2039 V N 4.271 124.270 119.914 0.141 0.000 2.525 2039 V HA 0.219 4.339 4.120 0.001 0.000 0.299 2039 V C -0.808 175.345 176.094 0.098 0.000 1.034 2039 V CA -1.032 61.325 62.300 0.095 0.000 0.863 2039 V CB 1.605 33.418 31.823 -0.017 0.000 0.999 2039 V HN 0.549 nan 8.190 nan 0.000 0.423 2040 F N 5.851 125.814 119.950 0.023 0.000 2.467 2040 F HA 0.526 5.053 4.527 0.001 0.000 0.362 2040 F C 0.268 176.059 175.800 -0.016 0.000 1.090 2040 F CA 0.311 58.311 58.000 -0.001 0.000 1.202 2040 F CB 0.487 39.499 39.000 0.019 0.000 1.113 2040 F HN 0.386 nan 8.300 nan 0.000 0.541 2041 K N 4.659 124.688 120.400 -0.617 0.000 2.316 2041 K HA 0.601 4.922 4.320 0.001 0.000 0.251 2041 K C -1.672 174.670 176.600 -0.430 0.000 0.934 2041 K CA -0.486 55.585 56.287 -0.361 0.000 0.802 2041 K CB 1.869 34.174 32.500 -0.325 0.000 1.171 2041 K HN 0.680 nan 8.250 nan 0.000 0.426 2042 S N 1.256 116.907 115.700 -0.082 0.000 2.579 2042 S HA 0.286 4.757 4.470 0.001 0.000 0.290 2042 S C -1.705 172.979 174.600 0.139 0.000 1.123 2042 S CA -0.537 57.682 58.200 0.033 0.000 0.894 2042 S CB 0.961 64.247 63.200 0.144 0.000 1.095 2042 S HN 0.510 nan 8.310 nan 0.000 0.450 2043 S N 3.549 119.324 115.700 0.123 0.000 2.513 2043 S HA 0.351 4.822 4.470 0.001 0.000 0.276 2043 S C 0.890 175.571 174.600 0.134 0.000 1.254 2043 S CA -0.562 57.677 58.200 0.065 0.000 1.053 2043 S CB 0.239 63.446 63.200 0.013 0.000 0.958 2043 S HN 0.694 nan 8.310 nan 0.000 0.491 2044 F N 0.511 120.570 119.950 0.182 0.000 2.710 2044 F HA 0.414 4.941 4.527 0.001 0.000 0.298 2044 F C 0.408 176.287 175.800 0.131 0.000 1.137 2044 F CA -0.290 57.823 58.000 0.188 0.000 1.444 2044 F CB -0.014 39.088 39.000 0.171 0.000 1.111 2044 F HN 0.450 nan 8.300 nan 0.000 0.580 2045 D N 0.265 120.466 120.400 -0.332 0.000 2.937 2045 D HA 0.226 4.866 4.640 0.001 0.000 0.215 2045 D C -1.492 174.604 176.300 -0.340 0.000 1.274 2045 D CA -0.626 53.200 54.000 -0.290 0.000 0.869 2045 D CB 1.258 41.895 40.800 -0.273 0.000 1.675 2045 D HN -0.173 nan 8.370 nan 0.000 0.538 2046 K N 3.015 123.259 120.400 -0.260 0.000 2.231 2046 K HA 0.516 4.837 4.320 0.001 0.000 0.255 2046 K C 0.408 176.850 176.600 -0.263 0.000 1.108 2046 K CA -0.359 55.816 56.287 -0.187 0.000 0.997 2046 K CB 0.931 33.392 32.500 -0.066 0.000 1.549 2046 K HN 0.459 nan 8.250 nan 0.000 0.419 2047 A N 2.598 125.150 122.820 -0.447 0.000 2.206 2047 A HA -0.094 4.227 4.320 0.001 0.000 0.211 2047 A C 1.002 178.493 177.584 -0.155 0.000 1.158 2047 A CA 0.697 52.493 52.037 -0.400 0.000 0.761 2047 A CB -0.578 17.965 19.000 -0.761 0.000 0.801 2047 A HN 0.801 nan 8.150 nan 0.000 0.473 2048 N N -1.328 117.329 118.700 -0.072 0.000 2.416 2048 N HA 0.131 4.871 4.740 0.001 0.000 0.267 2048 N C -0.306 175.247 175.510 0.071 0.000 1.294 2048 N CA -0.741 52.344 53.050 0.059 0.000 0.891 2048 N CB 0.489 39.086 38.487 0.183 0.000 1.238 2048 N HN -0.065 nan 8.380 nan 0.000 0.508 2049 R N 0.585 121.094 120.500 0.015 0.000 2.734 2049 R HA 0.093 4.433 4.340 0.001 0.000 0.266 2049 R C 0.945 177.269 176.300 0.039 0.000 1.044 2049 R CA 0.043 56.162 56.100 0.031 0.000 1.128 2049 R CB 0.576 30.883 30.300 0.011 0.000 1.010 2049 R HN 0.211 nan 8.270 nan 0.000 0.461 2050 S N 0.435 116.165 115.700 0.050 0.000 2.368 2050 S HA -0.096 4.375 4.470 0.001 0.000 0.224 2050 S C 1.051 175.653 174.600 0.003 0.000 1.029 2050 S CA 1.009 59.231 58.200 0.036 0.000 0.988 2050 S CB 0.022 63.249 63.200 0.046 0.000 0.838 2050 S HN 0.638 nan 8.310 nan 0.000 0.462 2051 S N 0.113 115.815 115.700 0.003 0.000 2.541 2051 S HA 0.370 4.841 4.470 0.001 0.000 0.283 2051 S C 0.728 175.284 174.600 -0.073 0.000 1.196 2051 S CA -0.683 57.499 58.200 -0.030 0.000 1.062 2051 S CB 0.923 64.134 63.200 0.018 0.000 1.009 2051 S HN 0.184 nan 8.310 nan 0.000 0.502 2052 I N 3.942 124.400 120.570 -0.187 0.000 2.676 2052 I HA 0.021 4.192 4.170 0.001 0.000 0.259 2052 I C 1.287 177.288 176.117 -0.193 0.000 1.194 2052 I CA 1.679 62.842 61.300 -0.228 0.000 1.473 2052 I CB -0.316 37.483 38.000 -0.335 0.000 1.096 2052 I HN 0.843 nan 8.210 nan 0.000 0.443 2053 H N -1.227 117.846 119.070 0.006 0.000 2.539 2053 H HA 0.302 4.859 4.556 0.002 0.000 0.269 2053 H C 1.010 176.354 175.328 0.027 0.000 0.980 2053 H CA -0.216 55.840 56.048 0.012 0.000 1.152 2053 H CB 0.159 29.930 29.762 0.014 0.000 1.407 2053 H HN 0.176 nan 8.280 nan 0.000 0.564 2054 S N 0.409 116.176 115.700 0.111 0.000 2.669 2054 S HA 0.104 4.574 4.470 0.001 0.000 0.270 2054 S C -0.288 174.380 174.600 0.114 0.000 1.225 2054 S CA -0.795 57.473 58.200 0.114 0.000 0.991 2054 S CB 0.764 64.017 63.200 0.089 0.000 0.987 2054 S HN 0.240 nan 8.310 nan 0.000 0.552 2055 F N 1.674 121.626 119.950 0.003 0.000 2.538 2055 F HA 0.226 4.754 4.527 0.001 0.000 0.371 2055 F C 1.265 177.048 175.800 -0.028 0.000 1.087 2055 F CA 0.239 58.227 58.000 -0.019 0.000 1.250 2055 F CB 0.399 39.391 39.000 -0.012 0.000 1.110 2055 F HN 0.538 nan 8.300 nan 0.000 0.570 2056 R N 3.200 123.190 120.500 -0.849 0.000 2.194 2056 R HA 0.475 4.815 4.340 0.001 0.000 0.194 2056 R C 0.537 176.270 176.300 -0.946 0.000 0.985 2056 R CA 0.167 55.871 56.100 -0.660 0.000 1.104 2056 R CB 0.362 30.437 30.300 -0.376 0.000 1.092 2056 R HN 0.895 nan 8.270 nan 0.000 0.555 2057 G N -0.612 107.356 108.800 -1.385 0.000 2.350 2057 G HA2 -0.073 3.888 3.960 0.001 0.000 0.282 2057 G HA3 -0.073 3.888 3.960 0.001 0.000 0.282 2057 G C -1.166 173.421 174.900 -0.520 0.000 1.314 2057 G CA -0.832 43.779 45.100 -0.815 0.000 0.915 2057 G HN 0.288 nan 8.290 nan 0.000 0.499 2058 H N 0.192 119.248 119.070 -0.024 0.000 2.542 2058 H HA 0.520 5.077 4.556 0.001 0.000 0.283 2058 H C 1.114 176.472 175.328 0.051 0.000 1.059 2058 H CA 1.107 57.111 56.048 -0.074 0.000 1.162 2058 H CB 0.664 30.181 29.762 -0.407 0.000 1.539 2058 H HN 1.757 nan 8.280 nan 0.000 0.543 2059 G N 0.064 108.991 108.800 0.210 0.000 2.619 2059 G HA2 -0.220 3.741 3.960 0.001 0.000 0.686 2059 G HA3 -0.220 3.741 3.960 0.001 0.000 0.686 2059 G C 0.154 175.230 174.900 0.294 0.000 1.256 2059 G CA -0.304 44.944 45.100 0.247 0.000 0.826 2059 G HN 0.187 nan 8.290 nan 0.000 0.619 2060 L N 0.365 121.682 121.223 0.156 0.000 2.056 2060 L HA 0.146 4.487 4.340 0.001 0.000 0.207 2060 L C 2.537 179.325 176.870 -0.137 0.000 1.078 2060 L CA 3.014 57.689 54.840 -0.276 0.000 0.749 2060 L CB -0.809 41.025 42.059 -0.375 0.000 0.901 2060 L HN 0.806 nan 8.230 nan 0.000 0.433 2061 E N -1.483 118.732 120.200 0.025 0.000 2.031 2061 E HA -0.302 4.049 4.350 0.001 0.000 0.193 2061 E C 2.139 178.792 176.600 0.088 0.000 0.994 2061 E CA 1.789 58.215 56.400 0.044 0.000 0.800 2061 E CB -0.453 29.293 29.700 0.077 0.000 0.752 2061 E HN 0.619 nan 8.360 nan 0.000 0.447 2062 Y N 1.092 121.424 120.300 0.053 0.000 2.224 2062 Y HA -0.177 4.374 4.550 0.001 0.000 0.289 2062 Y C 2.187 178.138 175.900 0.085 0.000 1.146 2062 Y CA 1.706 59.848 58.100 0.071 0.000 1.182 2062 Y CB -0.415 38.114 38.460 0.115 0.000 0.983 2062 Y HN 0.004 nan 8.280 nan 0.000 0.524 2063 G N -0.548 108.434 108.800 0.304 0.000 2.414 2063 G HA2 -0.232 3.729 3.960 0.001 0.000 0.215 2063 G HA3 -0.232 3.729 3.960 0.001 0.000 0.215 2063 G C 1.641 176.595 174.900 0.090 0.000 1.188 2063 G CA 1.283 46.546 45.100 0.273 0.000 0.783 2063 G HN 0.327 nan 8.290 nan 0.000 0.537 2064 V N 0.995 120.902 119.914 -0.012 0.000 2.490 2064 V HA -0.162 3.959 4.120 0.001 0.000 0.250 2064 V C 2.656 178.720 176.094 -0.050 0.000 1.061 2064 V CA 2.224 64.500 62.300 -0.041 0.000 1.064 2064 V CB -0.366 31.400 31.823 -0.095 0.000 0.670 2064 V HN 0.456 nan 8.190 nan 0.000 0.461 2065 K N 0.442 120.790 120.400 -0.087 0.000 2.025 2065 K HA -0.143 4.178 4.320 0.001 0.000 0.207 2065 K C 2.228 178.728 176.600 -0.166 0.000 1.049 2065 K CA 1.495 57.703 56.287 -0.132 0.000 0.933 2065 K CB -0.325 32.069 32.500 -0.177 0.000 0.714 2065 K HN 0.404 nan 8.250 nan 0.000 0.438 2066 A N 1.366 124.051 122.820 -0.225 0.000 1.933 2066 A HA -0.110 4.210 4.320 0.001 0.000 0.218 2066 A C 2.101 179.636 177.584 -0.083 0.000 1.175 2066 A CA 1.246 53.169 52.037 -0.189 0.000 0.628 2066 A CB -0.585 18.308 19.000 -0.178 0.000 0.814 2066 A HN 0.341 nan 8.150 nan 0.000 0.444 2067 L N -1.316 119.897 121.223 -0.017 0.000 2.201 2067 L HA -0.123 4.217 4.340 0.001 0.000 0.212 2067 L C 2.833 179.681 176.870 -0.037 0.000 1.105 2067 L CA 0.867 55.715 54.840 0.014 0.000 0.775 2067 L CB -0.410 41.708 42.059 0.099 0.000 0.913 2067 L HN 0.364 nan 8.230 nan 0.000 0.440 2068 R N 0.172 120.641 120.500 -0.052 0.000 2.075 2068 R HA -0.174 4.166 4.340 0.001 0.000 0.232 2068 R C 2.296 178.541 176.300 -0.091 0.000 1.126 2068 R CA 1.130 57.194 56.100 -0.060 0.000 0.963 2068 R CB -0.124 30.139 30.300 -0.062 0.000 0.858 2068 R HN 0.058 nan 8.270 nan 0.000 0.435 2069 K N 0.714 121.045 120.400 -0.115 0.000 2.103 2069 K HA -0.107 4.214 4.320 0.001 0.000 0.207 2069 K C 1.804 178.299 176.600 -0.176 0.000 1.048 2069 K CA 1.282 57.482 56.287 -0.146 0.000 0.930 2069 K CB -0.338 32.074 32.500 -0.145 0.000 0.716 2069 K HN -0.045 nan 8.250 nan 0.000 0.444 2070 V N 0.978 120.797 119.914 -0.158 0.000 2.307 2070 V HA -0.205 3.916 4.120 0.001 0.000 0.245 2070 V C 2.454 178.503 176.094 -0.074 0.000 1.045 2070 V CA 2.130 64.345 62.300 -0.143 0.000 1.024 2070 V CB -0.506 31.057 31.823 -0.434 0.000 0.651 2070 V HN 0.448 nan 8.190 nan 0.000 0.449 2071 K N 0.145 120.499 120.400 -0.077 0.000 2.057 2071 K HA -0.218 4.102 4.320 0.001 0.000 0.207 2071 K C 2.059 178.628 176.600 -0.051 0.000 1.049 2071 K CA 1.901 58.171 56.287 -0.028 0.000 0.931 2071 K CB -0.103 32.390 32.500 -0.011 0.000 0.714 2071 K HN 0.592 nan 8.250 nan 0.000 0.440 2072 E N 0.267 120.410 120.200 -0.095 0.000 2.072 2072 E HA -0.189 4.162 4.350 0.001 0.000 0.190 2072 E C 1.993 178.484 176.600 -0.182 0.000 0.982 2072 E CA 1.110 57.442 56.400 -0.113 0.000 0.803 2072 E CB 0.033 29.666 29.700 -0.112 0.000 0.755 2072 E HN 0.416 nan 8.360 nan 0.000 0.453 2073 E N -0.454 119.560 120.200 -0.311 0.000 2.208 2073 E HA -0.112 4.239 4.350 0.001 0.000 0.193 2073 E C 0.836 177.015 176.600 -0.702 0.000 0.988 2073 E CA 0.765 56.822 56.400 -0.571 0.000 0.828 2073 E CB 0.226 29.419 29.700 -0.846 0.000 0.763 2073 E HN 0.164 nan 8.360 nan 0.000 0.478 2074 F N -1.376 118.517 119.950 -0.095 0.000 2.767 2074 F HA 0.355 4.883 4.527 0.001 0.000 0.323 2074 F C 1.226 176.991 175.800 -0.060 0.000 1.091 2074 F CA 0.324 58.273 58.000 -0.085 0.000 1.192 2074 F CB 1.147 40.080 39.000 -0.112 0.000 1.056 2074 F HN 0.046 nan 8.300 nan 0.000 0.571 2075 G N 1.888 110.734 108.800 0.077 0.000 2.221 2075 G HA2 -0.299 3.662 3.960 0.001 0.000 0.265 2075 G HA3 -0.299 3.662 3.960 0.001 0.000 0.265 2075 G C -0.088 174.861 174.900 0.081 0.000 1.041 2075 G CA 0.004 45.139 45.100 0.057 0.000 0.807 2075 G HN 0.293 nan 8.290 nan 0.000 0.502 2076 L N -0.283 120.999 121.223 0.099 0.000 2.325 2076 L HA 0.441 4.782 4.340 0.001 0.000 0.279 2076 L C 1.130 178.065 176.870 0.107 0.000 1.054 2076 L CA -0.947 53.959 54.840 0.110 0.000 0.804 2076 L CB 1.156 43.286 42.059 0.119 0.000 1.200 2076 L HN 0.041 nan 8.230 nan 0.000 0.436 2077 K N 2.523 122.995 120.400 0.120 0.000 2.336 2077 K HA 0.349 4.669 4.320 0.001 0.000 0.262 2077 K C -0.592 176.090 176.600 0.137 0.000 0.992 2077 K CA -0.257 56.094 56.287 0.106 0.000 0.927 2077 K CB 0.772 33.328 32.500 0.092 0.000 0.956 2077 K HN 0.304 nan 8.250 nan 0.000 0.495 2078 I N 0.598 121.239 120.570 0.118 0.000 2.740 2078 I HA 0.301 4.471 4.170 0.001 0.000 0.303 2078 I C 0.023 176.208 176.117 0.114 0.000 1.044 2078 I CA -0.405 60.988 61.300 0.155 0.000 1.064 2078 I CB 1.918 40.002 38.000 0.139 0.000 1.249 2078 I HN 0.577 nan 8.210 nan 0.000 0.433 2079 T N 2.486 117.116 114.554 0.126 0.000 3.041 2079 T HA 0.567 4.918 4.350 0.001 0.000 0.321 2079 T C -1.091 173.670 174.700 0.102 0.000 1.184 2079 T CA -0.202 61.948 62.100 0.082 0.000 1.050 2079 T CB 1.467 70.355 68.868 0.033 0.000 1.159 2079 T HN 0.858 nan 8.240 nan 0.000 0.469 2080 T N 2.505 117.121 114.554 0.102 0.000 2.821 2080 T HA 0.591 4.942 4.350 0.001 0.000 0.306 2080 T C -1.946 172.781 174.700 0.045 0.000 1.313 2080 T CA -0.693 61.477 62.100 0.118 0.000 1.012 2080 T CB 1.498 70.515 68.868 0.248 0.000 1.298 2080 T HN 0.797 nan 8.240 nan 0.000 0.502 2081 D N 2.369 122.733 120.400 -0.060 0.000 2.229 2081 D HA 0.533 5.174 4.640 0.001 0.000 0.249 2081 D C 0.252 176.293 176.300 -0.432 0.000 1.027 2081 D CA -0.656 53.212 54.000 -0.221 0.000 0.923 2081 D CB 1.052 41.694 40.800 -0.262 0.000 1.174 2081 D HN 0.769 nan 8.370 nan 0.000 0.443 2082 I N -2.572 117.725 120.570 -0.456 0.000 2.750 2082 I HA 0.501 4.672 4.170 0.001 0.000 0.308 2082 I C -0.397 175.268 176.117 -0.753 0.000 1.016 2082 I CA -0.962 60.054 61.300 -0.474 0.000 1.098 2082 I CB 1.934 39.824 38.000 -0.184 0.000 1.279 2082 I HN 0.317 nan 8.210 nan 0.000 0.454 2083 H N 0.320 119.329 119.070 -0.102 0.000 3.255 2083 H HA 0.449 5.006 4.556 0.001 0.000 0.256 2083 H C -0.607 174.692 175.328 -0.048 0.000 1.049 2083 H CA -0.232 55.773 56.048 -0.072 0.000 1.202 2083 H CB 0.792 30.514 29.762 -0.067 0.000 1.497 2083 H HN 0.592 nan 8.280 nan 0.000 0.503 2084 E N -0.332 119.838 120.200 -0.050 0.000 2.366 2084 E HA 0.264 4.615 4.350 0.001 0.000 0.278 2084 E C 0.039 176.541 176.600 -0.162 0.000 0.923 2084 E CA -0.294 56.086 56.400 -0.034 0.000 0.761 2084 E CB 2.426 32.200 29.700 0.123 0.000 1.231 2084 E HN -0.025 nan 8.360 nan 0.000 0.443 2085 S N 1.472 117.173 115.700 0.001 0.000 2.380 2085 S HA -0.190 4.281 4.470 0.001 0.000 0.229 2085 S C 1.587 176.204 174.600 0.028 0.000 1.043 2085 S CA 1.902 60.117 58.200 0.024 0.000 1.038 2085 S CB -0.294 62.964 63.200 0.098 0.000 0.872 2085 S HN 0.739 nan 8.310 nan 0.000 0.456 2086 W N 1.958 123.292 121.300 0.057 0.000 2.421 2086 W HA -0.091 4.569 4.660 0.001 0.000 0.270 2086 W C 1.245 177.794 176.519 0.050 0.000 1.233 2086 W CA 0.830 58.204 57.345 0.048 0.000 1.226 2086 W CB -0.879 28.607 29.460 0.045 0.000 1.121 2086 W HN 0.415 nan 8.180 nan 0.000 0.579 2087 Q N 0.931 120.298 119.800 -0.723 0.000 2.311 2087 Q HA 0.006 4.347 4.340 0.001 0.000 0.203 2087 Q C 2.686 178.543 176.000 -0.239 0.000 0.954 2087 Q CA 1.263 56.662 55.803 -0.673 0.000 0.885 2087 Q CB -0.348 27.915 28.738 -0.792 0.000 0.963 2087 Q HN 0.314 nan 8.270 nan 0.000 0.471 2088 A N 1.917 124.652 122.820 -0.140 0.000 1.873 2088 A HA -0.306 4.015 4.320 0.001 0.000 0.218 2088 A C 1.989 179.559 177.584 -0.023 0.000 1.193 2088 A CA 1.843 53.845 52.037 -0.058 0.000 0.629 2088 A CB -0.582 18.402 19.000 -0.027 0.000 0.826 2088 A HN 0.450 nan 8.150 nan 0.000 0.447 2089 E N -0.396 119.807 120.200 0.006 0.000 2.023 2089 E HA -0.165 4.186 4.350 0.001 0.000 0.196 2089 E C -0.472 176.135 176.600 0.012 0.000 1.003 2089 E CA 1.534 57.948 56.400 0.023 0.000 0.809 2089 E CB -0.639 29.092 29.700 0.051 0.000 0.755 2089 E HN 0.496 nan 8.360 nan 0.000 0.449 2090 P HA -0.127 nan 4.420 nan 0.000 0.216 2090 P C 1.609 178.882 177.300 -0.045 0.000 1.150 2090 P CA 1.051 64.148 63.100 -0.005 0.000 0.837 2090 P CB 0.009 31.720 31.700 0.017 0.000 0.786 2091 V N 0.840 120.712 119.914 -0.070 0.000 2.453 2091 V HA -0.147 3.974 4.120 0.001 0.000 0.247 2091 V C 2.789 178.877 176.094 -0.009 0.000 1.048 2091 V CA 1.872 64.138 62.300 -0.057 0.000 1.049 2091 V CB -1.603 30.202 31.823 -0.030 0.000 0.672 2091 V HN 0.096 nan 8.190 nan 0.000 0.457 2092 A N -0.398 122.420 122.820 -0.003 0.000 2.125 2092 A HA -0.173 4.148 4.320 0.001 0.000 0.219 2092 A C 2.086 179.677 177.584 0.012 0.000 1.156 2092 A CA 1.260 53.303 52.037 0.011 0.000 0.671 2092 A CB -0.326 18.681 19.000 0.012 0.000 0.794 2092 A HN 0.558 nan 8.150 nan 0.000 0.459 2093 E N -0.323 119.879 120.200 0.004 0.000 2.153 2093 E HA -0.114 4.236 4.350 0.001 0.000 0.194 2093 E C 1.716 178.320 176.600 0.006 0.000 0.988 2093 E CA 1.646 58.048 56.400 0.003 0.000 0.811 2093 E CB -0.187 29.510 29.700 -0.005 0.000 0.746 2093 E HN 0.513 nan 8.360 nan 0.000 0.466 2094 V N -0.121 119.799 119.914 0.010 0.000 3.359 2094 V HA 0.234 4.355 4.120 0.001 0.000 0.245 2094 V C 0.883 177.001 176.094 0.040 0.000 1.247 2094 V CA 0.412 62.724 62.300 0.019 0.000 1.145 2094 V CB 0.276 32.108 31.823 0.015 0.000 0.906 2094 V HN 0.068 nan 8.190 nan 0.000 0.464 2095 A N 0.814 123.662 122.820 0.046 0.000 2.404 2095 A HA 0.221 4.542 4.320 0.001 0.000 0.273 2095 A C 0.884 178.499 177.584 0.052 0.000 1.144 2095 A CA -0.049 52.024 52.037 0.061 0.000 0.806 2095 A CB -0.071 18.969 19.000 0.066 0.000 1.080 2095 A HN 0.399 nan 8.150 nan 0.000 0.509 2096 D N 1.670 122.105 120.400 0.058 0.000 2.234 2096 D HA 0.048 4.689 4.640 0.001 0.000 0.205 2096 D C 0.142 176.476 176.300 0.058 0.000 0.962 2096 D CA 1.383 55.416 54.000 0.056 0.000 0.855 2096 D CB 0.271 41.107 40.800 0.059 0.000 0.951 2096 D HN 0.572 nan 8.370 nan 0.000 0.500 2097 I N 1.595 122.194 120.570 0.049 0.000 2.447 2097 I HA 0.268 4.439 4.170 0.001 0.000 0.287 2097 I C -0.404 175.735 176.117 0.037 0.000 1.023 2097 I CA -0.592 60.733 61.300 0.042 0.000 1.083 2097 I CB 2.640 40.631 38.000 -0.015 0.000 1.245 2097 I HN -0.305 nan 8.210 nan 0.000 0.434 2098 I N 5.764 126.357 120.570 0.039 0.000 2.342 2098 I HA 0.220 4.390 4.170 0.001 0.000 0.291 2098 I C 0.140 176.259 176.117 0.002 0.000 1.010 2098 I CA -0.237 61.075 61.300 0.021 0.000 1.308 2098 I CB 1.301 39.309 38.000 0.014 0.000 1.400 2098 I HN 0.593 nan 8.210 nan 0.000 0.488 2099 Q N 6.398 126.185 119.800 -0.023 0.000 2.257 2099 Q HA 0.423 4.764 4.340 0.001 0.000 0.255 2099 Q C -1.118 174.819 176.000 -0.104 0.000 0.920 2099 Q CA -0.738 55.031 55.803 -0.056 0.000 0.927 2099 Q CB 1.465 30.174 28.738 -0.049 0.000 1.229 2099 Q HN 0.478 nan 8.270 nan 0.000 0.433 2100 I N 6.403 126.913 120.570 -0.101 0.000 2.339 2100 I HA 0.340 4.511 4.170 0.001 0.000 0.290 2100 I C -2.180 173.853 176.117 -0.141 0.000 0.994 2100 I CA -2.595 58.639 61.300 -0.109 0.000 1.191 2100 I CB 0.946 38.910 38.000 -0.060 0.000 1.343 2100 I HN 0.511 nan 8.210 nan 0.000 0.458 2101 P HA 0.042 nan 4.420 nan 0.000 0.267 2101 P C 0.615 177.821 177.300 -0.157 0.000 1.200 2101 P CA 0.149 63.143 63.100 -0.176 0.000 0.772 2101 P CB 0.898 32.539 31.700 -0.099 0.000 0.855 2102 A N 2.545 125.199 122.820 -0.276 0.000 1.883 2102 A HA -0.212 4.109 4.320 0.001 0.000 0.217 2102 A C 1.667 179.265 177.584 0.023 0.000 1.186 2102 A CA 1.736 53.626 52.037 -0.246 0.000 0.624 2102 A CB -1.609 17.151 19.000 -0.401 0.000 0.822 2102 A HN 0.506 nan 8.150 nan 0.000 0.444 2103 F N -0.204 119.784 119.950 0.064 0.000 2.333 2103 F HA 0.014 4.542 4.527 0.001 0.000 0.300 2103 F C 1.574 177.492 175.800 0.196 0.000 1.083 2103 F CA 0.395 58.526 58.000 0.219 0.000 1.395 2103 F CB -0.570 38.502 39.000 0.119 0.000 1.056 2103 F HN 0.107 nan 8.300 nan 0.000 0.529 2104 L N -0.504 120.880 121.223 0.269 0.000 2.700 2104 L HA 0.099 4.440 4.340 0.001 0.000 0.234 2104 L C 1.910 178.853 176.870 0.122 0.000 1.156 2104 L CA -0.044 54.896 54.840 0.168 0.000 0.946 2104 L CB -0.713 41.406 42.059 0.099 0.000 1.216 2104 L HN 0.229 nan 8.230 nan 0.000 0.493 2105 C N -1.355 118.028 119.300 0.137 0.000 2.430 2105 C HA -0.000 4.460 4.460 0.001 0.000 0.288 2105 C C 2.145 177.193 174.990 0.096 0.000 1.448 2105 C CA -0.020 59.040 59.018 0.070 0.000 1.784 2105 C CB -0.910 26.827 27.740 -0.004 0.000 1.776 2105 C HN 0.470 nan 8.230 nan 0.000 0.547 2106 R N -0.005 120.586 120.500 0.152 0.000 2.397 2106 R HA 0.152 4.492 4.340 0.001 0.000 0.241 2106 R C 0.063 176.399 176.300 0.060 0.000 0.914 2106 R CA -0.010 56.154 56.100 0.107 0.000 1.071 2106 R CB 0.003 30.385 30.300 0.137 0.000 1.116 2106 R HN 0.566 nan 8.270 nan 0.000 0.524 2107 Q N 1.254 121.091 119.800 0.062 0.000 2.452 2107 Q HA 0.083 4.424 4.340 0.001 0.000 0.230 2107 Q C 0.793 176.815 176.000 0.036 0.000 1.180 2107 Q CA 0.239 56.068 55.803 0.044 0.000 0.914 2107 Q CB 0.977 29.745 28.738 0.050 0.000 1.408 2107 Q HN 0.059 nan 8.270 nan 0.000 0.520 2108 T N 1.443 116.013 114.554 0.028 0.000 2.620 2108 T HA -0.199 4.152 4.350 0.001 0.000 0.267 2108 T C 0.912 175.637 174.700 0.042 0.000 1.044 2108 T CA 1.862 63.978 62.100 0.027 0.000 1.161 2108 T CB 0.065 68.940 68.868 0.012 0.000 0.862 2108 T HN 0.485 nan 8.240 nan 0.000 0.438 2109 D N 0.564 120.990 120.400 0.043 0.000 2.178 2109 D HA -0.015 4.626 4.640 0.001 0.000 0.201 2109 D C 2.000 178.328 176.300 0.047 0.000 0.980 2109 D CA 0.452 54.483 54.000 0.052 0.000 0.842 2109 D CB -0.352 40.482 40.800 0.056 0.000 0.948 2109 D HN 0.205 nan 8.370 nan 0.000 0.472 2110 L N 0.430 121.675 121.223 0.037 0.000 2.072 2110 L HA -0.041 4.300 4.340 0.001 0.000 0.205 2110 L C 2.155 179.034 176.870 0.015 0.000 1.079 2110 L CA 1.173 56.024 54.840 0.018 0.000 0.752 2110 L CB -0.389 41.676 42.059 0.011 0.000 0.906 2110 L HN -0.032 nan 8.230 nan 0.000 0.436 2111 L N -1.401 119.837 121.223 0.026 0.000 2.056 2111 L HA -0.222 4.119 4.340 0.001 0.000 0.207 2111 L C 2.447 179.343 176.870 0.043 0.000 1.078 2111 L CA 1.209 56.067 54.840 0.030 0.000 0.749 2111 L CB -0.554 41.526 42.059 0.035 0.000 0.901 2111 L HN 0.265 nan 8.230 nan 0.000 0.433 2112 L N -0.538 120.720 121.223 0.059 0.000 2.056 2112 L HA -0.173 4.168 4.340 0.001 0.000 0.207 2112 L C 2.906 179.805 176.870 0.049 0.000 1.078 2112 L CA 1.089 55.973 54.840 0.073 0.000 0.749 2112 L CB -0.779 41.340 42.059 0.101 0.000 0.901 2112 L HN 0.236 nan 8.230 nan 0.000 0.433 2113 A N 0.210 123.055 122.820 0.042 0.000 1.908 2113 A HA -0.215 4.106 4.320 0.001 0.000 0.218 2113 A C 2.533 180.129 177.584 0.019 0.000 1.181 2113 A CA 1.938 53.995 52.037 0.032 0.000 0.627 2113 A CB -0.727 18.290 19.000 0.028 0.000 0.818 2113 A HN 0.414 nan 8.150 nan 0.000 0.445 2114 A N -0.247 122.581 122.820 0.013 0.000 1.873 2114 A HA 0.183 4.503 4.320 0.001 0.000 0.215 2114 A C 2.518 180.114 177.584 0.019 0.000 1.186 2114 A CA 2.074 54.117 52.037 0.010 0.000 0.616 2114 A CB -1.058 17.944 19.000 0.005 0.000 0.823 2114 A HN 1.109 nan 8.150 nan 0.000 0.442 2115 A N -0.187 122.648 122.820 0.025 0.000 1.933 2115 A HA -0.183 4.138 4.320 0.001 0.000 0.218 2115 A C 2.113 179.705 177.584 0.013 0.000 1.175 2115 A CA 1.980 54.031 52.037 0.023 0.000 0.628 2115 A CB -0.458 18.560 19.000 0.030 0.000 0.814 2115 A HN 0.563 nan 8.150 nan 0.000 0.444 2116 K N 0.032 120.440 120.400 0.013 0.000 2.280 2116 K HA -0.140 4.181 4.320 0.001 0.000 0.202 2116 K C 1.879 178.484 176.600 0.009 0.000 1.047 2116 K CA 1.763 58.053 56.287 0.006 0.000 0.942 2116 K CB -0.317 32.191 32.500 0.012 0.000 0.739 2116 K HN 0.633 nan 8.250 nan 0.000 0.457 2117 T N -3.251 111.311 114.554 0.014 0.000 3.007 2117 T HA 0.050 4.401 4.350 0.001 0.000 0.270 2117 T C 1.502 176.211 174.700 0.015 0.000 1.107 2117 T CA 1.077 63.186 62.100 0.015 0.000 1.118 2117 T CB -0.209 68.669 68.868 0.016 0.000 0.889 2117 T HN 0.431 nan 8.240 nan 0.000 0.506 2118 G N 1.300 110.109 108.800 0.015 0.000 2.225 2118 G HA2 -0.239 3.722 3.960 0.001 0.000 0.254 2118 G HA3 -0.239 3.722 3.960 0.001 0.000 0.254 2118 G C 0.391 175.307 174.900 0.025 0.000 0.988 2118 G CA -0.037 45.072 45.100 0.015 0.000 0.625 2118 G HN 0.632 nan 8.290 nan 0.000 0.527 2119 R N 0.859 121.377 120.500 0.031 0.000 2.649 2119 R HA 0.678 5.018 4.340 0.001 0.000 0.270 2119 R C 0.900 177.235 176.300 0.059 0.000 1.105 2119 R CA 0.294 56.421 56.100 0.044 0.000 1.193 2119 R CB -0.064 30.261 30.300 0.042 0.000 1.120 2119 R HN 0.735 nan 8.270 nan 0.000 0.561 2120 A N 0.749 123.621 122.820 0.087 0.000 2.351 2120 A HA 0.422 4.743 4.320 0.001 0.000 0.257 2120 A C -0.327 177.336 177.584 0.131 0.000 1.087 2120 A CA -0.405 51.713 52.037 0.135 0.000 0.798 2120 A CB 0.613 19.751 19.000 0.231 0.000 1.033 2120 A HN 0.328 nan 8.150 nan 0.000 0.488 2121 V N 2.548 122.554 119.914 0.153 0.000 2.531 2121 V HA 0.352 4.473 4.120 0.001 0.000 0.301 2121 V C -0.069 176.134 176.094 0.181 0.000 1.034 2121 V CA -0.747 61.624 62.300 0.119 0.000 0.865 2121 V CB 1.652 33.516 31.823 0.068 0.000 0.995 2121 V HN 0.976 nan 8.190 nan 0.000 0.424 2122 N N 3.329 122.098 118.700 0.115 0.000 2.446 2122 N HA 0.568 5.308 4.740 0.001 0.000 0.265 2122 N C -1.337 174.178 175.510 0.008 0.000 0.975 2122 N CA -0.413 52.696 53.050 0.098 0.000 0.928 2122 N CB 1.776 40.258 38.487 -0.009 0.000 1.160 2122 N HN 0.455 nan 8.380 nan 0.000 0.495 2123 V N 3.929 123.848 119.914 0.008 0.000 2.370 2123 V HA 0.262 4.383 4.120 0.001 0.000 0.279 2123 V C 0.176 176.207 176.094 -0.105 0.000 1.029 2123 V CA -0.815 61.457 62.300 -0.047 0.000 0.870 2123 V CB 1.145 32.955 31.823 -0.021 0.000 0.984 2123 V HN 0.584 nan 8.190 nan 0.000 0.451 2124 K N 3.864 124.160 120.400 -0.172 0.000 2.383 2124 K HA 0.155 4.476 4.320 0.001 0.000 0.286 2124 K C 0.120 176.585 176.600 -0.226 0.000 1.051 2124 K CA -0.129 56.007 56.287 -0.252 0.000 0.974 2124 K CB 0.645 32.941 32.500 -0.339 0.000 0.968 2124 K HN 0.622 nan 8.250 nan 0.000 0.475 2125 K N 1.846 122.110 120.400 -0.227 0.000 2.412 2125 K HA 0.070 4.390 4.320 0.001 0.000 0.284 2125 K C 0.332 176.718 176.600 -0.355 0.000 1.046 2125 K CA -0.090 56.050 56.287 -0.244 0.000 0.999 2125 K CB 0.368 32.744 32.500 -0.206 0.000 0.941 2125 K HN 0.699 nan 8.250 nan 0.000 0.474 2126 G N 3.224 111.720 108.800 -0.508 0.000 2.474 2126 G HA2 -0.108 3.853 3.960 0.001 0.000 0.233 2126 G HA3 -0.108 3.853 3.960 0.001 0.000 0.233 2126 G C 0.196 174.623 174.900 -0.788 0.000 1.278 2126 G CA -0.391 44.172 45.100 -0.896 0.000 0.861 2126 G HN 0.809 nan 8.290 nan 0.000 0.567 2127 Q N 0.624 120.132 119.800 -0.487 0.000 2.437 2127 Q HA -0.034 4.307 4.340 0.001 0.000 0.210 2127 Q C 1.660 177.587 176.000 -0.123 0.000 0.972 2127 Q CA 1.315 57.007 55.803 -0.186 0.000 0.903 2127 Q CB -0.160 28.611 28.738 0.055 0.000 0.967 2127 Q HN 0.822 nan 8.270 nan 0.000 0.486 2128 F N -2.853 117.111 119.950 0.023 0.000 2.749 2128 F HA 0.342 4.869 4.527 0.001 0.000 0.300 2128 F C 0.267 176.051 175.800 -0.028 0.000 1.103 2128 F CA -0.813 57.189 58.000 0.004 0.000 1.342 2128 F CB 0.006 39.014 39.000 0.013 0.000 1.098 2128 F HN -0.126 nan 8.300 nan 0.000 0.586 2129 L N 1.784 122.820 121.223 -0.312 0.000 2.334 2129 L HA 0.708 5.049 4.340 0.001 0.000 0.277 2129 L C 0.270 176.995 176.870 -0.243 0.000 1.075 2129 L CA -1.089 53.630 54.840 -0.201 0.000 0.804 2129 L CB 1.106 42.979 42.059 -0.310 0.000 1.174 2129 L HN 0.223 nan 8.230 nan 0.000 0.438 2130 A N 5.221 127.862 122.820 -0.298 0.000 2.279 2130 A HA 0.606 4.926 4.320 0.001 0.000 0.303 2130 A C -1.882 175.280 177.584 -0.702 0.000 1.108 2130 A CA -1.201 50.459 52.037 -0.628 0.000 0.830 2130 A CB 0.089 18.569 19.000 -0.867 0.000 1.106 2130 A HN 0.720 nan 8.150 nan 0.000 0.493 2131 P HA -0.184 nan 4.420 nan 0.000 0.215 2131 P C 0.975 178.240 177.300 -0.058 0.000 1.157 2131 P CA 2.191 65.065 63.100 -0.376 0.000 0.874 2131 P CB -0.141 31.370 31.700 -0.315 0.000 0.790 2132 W N -0.387 121.054 121.300 0.234 0.000 2.465 2132 W HA -0.015 4.646 4.660 0.001 0.000 0.268 2132 W C 0.935 177.488 176.519 0.058 0.000 1.242 2132 W CA 0.634 58.159 57.345 0.299 0.000 1.248 2132 W CB -1.908 27.678 29.460 0.210 0.000 1.118 2132 W HN -0.105 nan 8.180 nan 0.000 0.587 2133 D N 0.863 121.257 120.400 -0.010 0.000 2.371 2133 D HA -0.120 4.520 4.640 0.001 0.000 0.221 2133 D C 2.072 178.321 176.300 -0.085 0.000 0.986 2133 D CA 1.918 55.910 54.000 -0.014 0.000 0.899 2133 D CB -0.507 40.270 40.800 -0.039 0.000 0.902 2133 D HN 0.409 nan 8.370 nan 0.000 0.530 2134 T N -2.177 112.339 114.554 -0.064 0.000 3.088 2134 T HA -0.013 4.338 4.350 0.001 0.000 0.259 2134 T C 1.705 176.182 174.700 -0.372 0.000 1.122 2134 T CA 0.313 62.370 62.100 -0.072 0.000 1.095 2134 T CB 0.236 69.195 68.868 0.152 0.000 0.930 2134 T HN 0.045 nan 8.240 nan 0.000 0.508 2135 K N 1.645 121.527 120.400 -0.863 0.000 2.063 2135 K HA -0.136 4.185 4.320 0.001 0.000 0.208 2135 K C 2.060 178.311 176.600 -0.583 0.000 1.048 2135 K CA 1.732 57.183 56.287 -1.393 0.000 0.928 2135 K CB -0.355 31.204 32.500 -1.569 0.000 0.713 2135 K HN 0.502 nan 8.250 nan 0.000 0.442 2136 N N -0.237 118.249 118.700 -0.357 0.000 2.223 2136 N HA -0.138 4.603 4.740 0.001 0.000 0.185 2136 N C 1.669 177.097 175.510 -0.136 0.000 1.016 2136 N CA 0.917 53.850 53.050 -0.195 0.000 0.863 2136 N CB 0.127 38.538 38.487 -0.127 0.000 0.983 2136 N HN -0.027 nan 8.380 nan 0.000 0.429 2137 V N 0.580 120.416 119.914 -0.129 0.000 2.295 2137 V HA -0.182 3.939 4.120 0.001 0.000 0.246 2137 V C 2.227 178.293 176.094 -0.046 0.000 1.049 2137 V CA 1.295 63.557 62.300 -0.063 0.000 1.024 2137 V CB -0.419 31.379 31.823 -0.042 0.000 0.648 2137 V HN 0.137 nan 8.190 nan 0.000 0.447 2138 V N 0.099 119.969 119.914 -0.073 0.000 2.343 2138 V HA -0.311 3.810 4.120 0.001 0.000 0.247 2138 V C 2.480 178.567 176.094 -0.012 0.000 1.051 2138 V CA 2.378 64.666 62.300 -0.020 0.000 1.036 2138 V CB -0.626 31.200 31.823 0.004 0.000 0.654 2138 V HN 0.704 nan 8.190 nan 0.000 0.451 2139 E N 0.225 120.393 120.200 -0.053 0.000 2.118 2139 E HA -0.272 4.079 4.350 0.001 0.000 0.195 2139 E C 2.248 178.873 176.600 0.042 0.000 0.992 2139 E CA 1.436 57.828 56.400 -0.014 0.000 0.804 2139 E CB -0.051 29.612 29.700 -0.061 0.000 0.741 2139 E HN 0.586 nan 8.360 nan 0.000 0.458 2140 K N 0.149 120.560 120.400 0.018 0.000 2.057 2140 K HA -0.126 4.195 4.320 0.001 0.000 0.207 2140 K C 2.305 178.983 176.600 0.130 0.000 1.049 2140 K CA 1.287 57.611 56.287 0.061 0.000 0.931 2140 K CB -0.119 32.395 32.500 0.022 0.000 0.714 2140 K HN 0.219 nan 8.250 nan 0.000 0.440 2141 L N 1.077 122.347 121.223 0.079 0.000 2.056 2141 L HA -0.192 4.148 4.340 0.001 0.000 0.207 2141 L C 2.317 179.232 176.870 0.075 0.000 1.078 2141 L CA 1.342 56.225 54.840 0.071 0.000 0.749 2141 L CB -0.318 41.768 42.059 0.046 0.000 0.901 2141 L HN 0.136 nan 8.230 nan 0.000 0.433 2142 K N -0.483 119.964 120.400 0.078 0.000 2.057 2142 K HA -0.207 4.113 4.320 0.001 0.000 0.207 2142 K C 2.087 178.737 176.600 0.083 0.000 1.049 2142 K CA 1.510 57.837 56.287 0.066 0.000 0.931 2142 K CB -0.294 32.245 32.500 0.065 0.000 0.714 2142 K HN 0.110 nan 8.250 nan 0.000 0.440 2143 F N 1.297 121.244 119.950 -0.004 0.000 2.216 2143 F HA -0.088 4.440 4.527 0.001 0.000 0.300 2143 F C 1.835 177.636 175.800 0.001 0.000 1.085 2143 F CA 1.552 59.550 58.000 -0.003 0.000 1.326 2143 F CB -0.313 38.683 39.000 -0.006 0.000 1.027 2143 F HN -0.032 nan 8.300 nan 0.000 0.497 2144 G N -1.129 107.702 108.800 0.052 0.000 2.920 2144 G HA2 0.284 4.245 3.960 0.001 0.000 0.208 2144 G HA3 0.284 4.245 3.960 0.001 0.000 0.208 2144 G C 1.325 176.183 174.900 -0.070 0.000 1.159 2144 G CA 0.349 45.433 45.100 -0.028 0.000 0.784 2144 G HN 0.962 nan 8.290 nan 0.000 0.535 2145 G N -1.433 107.324 108.800 -0.073 0.000 2.176 2145 G HA2 0.121 4.082 3.960 0.001 0.000 0.232 2145 G HA3 0.121 4.082 3.960 0.001 0.000 0.232 2145 G C 0.542 175.431 174.900 -0.018 0.000 0.986 2145 G CA 0.149 45.216 45.100 -0.056 0.000 0.643 2145 G HN 1.302 nan 8.290 nan 0.000 0.522 2146 A N -0.069 122.752 122.820 0.001 0.000 2.462 2146 A HA 0.694 5.014 4.320 0.001 0.000 0.243 2146 A C 1.128 178.715 177.584 0.005 0.000 1.076 2146 A CA 1.154 53.198 52.037 0.011 0.000 0.773 2146 A CB 0.386 19.401 19.000 0.024 0.000 1.010 2146 A HN 0.392 nan 8.150 nan 0.000 0.493 2147 K N 0.446 120.847 120.400 0.002 0.000 2.474 2147 K HA 0.115 4.436 4.320 0.001 0.000 0.202 2147 K C 0.101 176.682 176.600 -0.031 0.000 1.248 2147 K CA 0.205 56.487 56.287 -0.008 0.000 0.946 2147 K CB 0.793 33.291 32.500 -0.004 0.000 1.102 2147 K HN 0.801 nan 8.250 nan 0.000 0.541 2148 E N 2.156 122.339 120.200 -0.028 0.000 2.101 2148 E HA 0.296 4.647 4.350 0.001 0.000 0.260 2148 E C -1.253 175.277 176.600 -0.116 0.000 0.897 2148 E CA -0.249 56.097 56.400 -0.090 0.000 0.744 2148 E CB 0.542 30.243 29.700 0.002 0.000 1.140 2148 E HN 0.088 nan 8.360 nan 0.000 0.419 2149 I N 4.488 124.920 120.570 -0.230 0.000 2.406 2149 I HA 0.337 4.507 4.170 0.001 0.000 0.290 2149 I C -1.001 174.938 176.117 -0.297 0.000 0.999 2149 I CA -0.852 60.361 61.300 -0.145 0.000 1.124 2149 I CB 1.024 38.999 38.000 -0.042 0.000 1.289 2149 I HN 0.460 nan 8.210 nan 0.000 0.441 2150 Y N 5.705 126.012 120.300 0.013 0.000 2.485 2150 Y HA 0.677 5.228 4.550 0.001 0.000 0.345 2150 Y C -0.418 175.477 175.900 -0.007 0.000 0.998 2150 Y CA -0.864 57.235 58.100 -0.001 0.000 1.059 2150 Y CB 1.840 40.288 38.460 -0.019 0.000 1.234 2150 Y HN 0.278 nan 8.280 nan 0.000 0.461 2151 L N 2.324 123.636 121.223 0.148 0.000 2.356 2151 L HA 0.571 4.912 4.340 0.001 0.000 0.277 2151 L C -0.754 176.125 176.870 0.016 0.000 0.996 2151 L CA -0.560 54.319 54.840 0.064 0.000 0.822 2151 L CB 2.182 44.288 42.059 0.079 0.000 1.256 2151 L HN 0.648 nan 8.230 nan 0.000 0.413 2152 T N 1.214 115.729 114.554 -0.064 0.000 2.779 2152 T HA 0.236 4.587 4.350 0.001 0.000 0.280 2152 T C -0.373 174.227 174.700 -0.167 0.000 0.987 2152 T CA -0.437 61.584 62.100 -0.133 0.000 0.966 2152 T CB 1.641 70.356 68.868 -0.256 0.000 0.933 2152 T HN 0.409 nan 8.240 nan 0.000 0.442 2153 E N 2.635 122.760 120.200 -0.125 0.000 2.223 2153 E HA 0.290 4.641 4.350 0.001 0.000 0.282 2153 E C 0.446 176.917 176.600 -0.215 0.000 1.046 2153 E CA -0.548 55.776 56.400 -0.127 0.000 0.857 2153 E CB 0.443 30.135 29.700 -0.014 0.000 1.055 2153 E HN 0.614 nan 8.360 nan 0.000 0.409 2154 R N 3.051 123.412 120.500 -0.232 0.000 2.592 2154 R HA 0.499 4.840 4.340 0.001 0.000 0.439 2154 R C 0.128 176.327 176.300 -0.169 0.000 0.995 2154 R CA -0.195 55.756 56.100 -0.248 0.000 1.141 2154 R CB 0.110 30.221 30.300 -0.314 0.000 1.495 2154 R HN 0.637 nan 8.270 nan 0.000 0.579 2155 G N 0.006 108.714 108.800 -0.152 0.000 2.663 2155 G HA2 -0.036 3.925 3.960 0.001 0.000 0.686 2155 G HA3 -0.036 3.925 3.960 0.001 0.000 0.686 2155 G C -0.874 173.955 174.900 -0.118 0.000 1.246 2155 G CA -0.463 44.565 45.100 -0.119 0.000 0.795 2155 G HN 0.171 nan 8.290 nan 0.000 0.627 2156 T N 1.073 115.575 114.554 -0.086 0.000 2.876 2156 T HA 0.651 5.002 4.350 0.001 0.000 0.289 2156 T C 0.498 175.219 174.700 0.035 0.000 1.014 2156 T CA -0.036 62.030 62.100 -0.057 0.000 0.986 2156 T CB 1.664 70.484 68.868 -0.080 0.000 1.021 2156 T HN 0.874 nan 8.240 nan 0.000 0.458 2157 T N 3.070 117.664 114.554 0.066 0.000 2.822 2157 T HA 0.130 4.481 4.350 0.001 0.000 0.288 2157 T C -0.695 174.107 174.700 0.170 0.000 0.991 2157 T CA 0.544 62.714 62.100 0.117 0.000 1.176 2157 T CB -0.470 68.468 68.868 0.115 0.000 0.951 2157 T HN 0.423 nan 8.240 nan 0.000 0.526 2158 F N 4.078 124.018 119.950 -0.016 0.000 2.691 2158 F HA 0.525 5.052 4.527 0.001 0.000 0.371 2158 F C 0.693 176.458 175.800 -0.057 0.000 1.159 2158 F CA 0.088 58.065 58.000 -0.039 0.000 1.174 2158 F CB -0.129 38.851 39.000 -0.034 0.000 1.419 2158 F HN 0.923 nan 8.300 nan 0.000 0.514 2159 G N 2.816 111.381 108.800 -0.392 0.000 2.598 2159 G HA2 -0.285 3.675 3.960 0.001 0.000 0.244 2159 G HA3 -0.285 3.675 3.960 0.001 0.000 0.244 2159 G C -1.342 173.388 174.900 -0.284 0.000 1.302 2159 G CA -0.376 44.428 45.100 -0.494 0.000 0.903 2159 G HN 0.500 nan 8.290 nan 0.000 0.575 2160 Y N 1.635 121.897 120.300 -0.064 0.000 2.310 2160 Y HA 0.475 5.026 4.550 0.001 0.000 0.326 2160 Y C 1.467 177.376 175.900 0.015 0.000 1.151 2160 Y CA -0.483 57.609 58.100 -0.014 0.000 1.195 2160 Y CB 0.977 39.427 38.460 -0.017 0.000 1.210 2160 Y HN 0.650 nan 8.280 nan 0.000 0.483 2161 N N 1.757 120.590 118.700 0.221 0.000 2.721 2161 N HA -0.323 4.417 4.740 0.001 0.000 0.249 2161 N C -0.786 174.805 175.510 0.135 0.000 1.072 2161 N CA 1.032 54.172 53.050 0.149 0.000 0.710 2161 N CB -1.107 37.452 38.487 0.121 0.000 0.993 2161 N HN 0.890 nan 8.380 nan 0.000 0.547 2162 N N -0.413 118.374 118.700 0.144 0.000 2.405 2162 N HA 0.560 5.301 4.740 0.001 0.000 0.274 2162 N C -1.515 174.097 175.510 0.170 0.000 1.170 2162 N CA -0.543 52.600 53.050 0.155 0.000 0.848 2162 N CB 1.597 40.198 38.487 0.190 0.000 1.629 2162 N HN -0.018 nan 8.380 nan 0.000 0.481 2163 L N 1.910 123.212 121.223 0.132 0.000 2.370 2163 L HA 0.701 5.042 4.340 0.001 0.000 0.266 2163 L C -0.799 176.080 176.870 0.014 0.000 1.002 2163 L CA -0.997 53.895 54.840 0.088 0.000 0.818 2163 L CB 2.097 44.182 42.059 0.044 0.000 1.325 2163 L HN 0.278 nan 8.230 nan 0.000 0.418 2164 V N 2.564 122.442 119.914 -0.061 0.000 2.823 2164 V HA 0.565 4.686 4.120 0.001 0.000 0.312 2164 V C -0.854 175.129 176.094 -0.186 0.000 1.072 2164 V CA -0.502 61.671 62.300 -0.211 0.000 0.937 2164 V CB 2.593 34.118 31.823 -0.497 0.000 1.013 2164 V HN 0.406 nan 8.190 nan 0.000 0.430 2165 V N 5.037 124.826 119.914 -0.208 0.000 2.333 2165 V HA 0.372 4.492 4.120 0.001 0.000 0.274 2165 V C -0.319 175.554 176.094 -0.369 0.000 1.028 2165 V CA -0.454 61.647 62.300 -0.332 0.000 0.851 2165 V CB 1.338 32.880 31.823 -0.469 0.000 1.000 2165 V HN 0.912 nan 8.190 nan 0.000 0.456 2166 D N 4.061 124.275 120.400 -0.310 0.000 2.441 2166 D HA 0.238 4.878 4.640 0.001 0.000 0.221 2166 D C 0.690 176.859 176.300 -0.217 0.000 1.156 2166 D CA -0.361 53.528 54.000 -0.184 0.000 0.896 2166 D CB 0.579 41.298 40.800 -0.136 0.000 1.028 2166 D HN 0.399 nan 8.370 nan 0.000 0.509 2167 F N 1.971 121.874 119.950 -0.079 0.000 2.583 2167 F HA 0.000 4.528 4.527 0.001 0.000 0.297 2167 F C 2.235 177.996 175.800 -0.065 0.000 1.131 2167 F CA 0.429 58.378 58.000 -0.084 0.000 1.467 2167 F CB 0.031 38.965 39.000 -0.108 0.000 1.097 2167 F HN 0.286 nan 8.300 nan 0.000 0.586 2168 R N -0.254 120.289 120.500 0.072 0.000 2.189 2168 R HA -0.126 4.215 4.340 0.001 0.000 0.223 2168 R C 2.467 178.774 176.300 0.012 0.000 1.092 2168 R CA 1.255 57.387 56.100 0.053 0.000 0.989 2168 R CB -0.481 29.859 30.300 0.067 0.000 0.876 2168 R HN 0.351 nan 8.270 nan 0.000 0.457 2169 S N 0.577 116.249 115.700 -0.046 0.000 2.402 2169 S HA -0.109 4.362 4.470 0.001 0.000 0.229 2169 S C 1.850 176.410 174.600 -0.068 0.000 1.021 2169 S CA 0.722 58.874 58.200 -0.081 0.000 0.974 2169 S CB -0.157 62.959 63.200 -0.139 0.000 0.800 2169 S HN 0.057 nan 8.310 nan 0.000 0.484 2170 L N 2.800 123.996 121.223 -0.045 0.000 1.970 2170 L HA 0.027 4.367 4.340 0.001 0.000 0.212 2170 L C -0.329 176.489 176.870 -0.085 0.000 1.071 2170 L CA 1.985 56.799 54.840 -0.044 0.000 0.751 2170 L CB -1.678 40.383 42.059 0.004 0.000 0.889 2170 L HN 0.270 nan 8.230 nan 0.000 0.432 2171 P HA -0.152 nan 4.420 nan 0.000 0.218 2171 P C 2.036 179.241 177.300 -0.159 0.000 1.149 2171 P CA 1.599 64.640 63.100 -0.097 0.000 0.817 2171 P CB 0.086 31.757 31.700 -0.048 0.000 0.785 2172 I N -0.687 119.804 120.570 -0.132 0.000 2.163 2172 I HA -0.195 3.976 4.170 0.001 0.000 0.240 2172 I C 2.746 178.557 176.117 -0.510 0.000 1.081 2172 I CA 1.526 62.710 61.300 -0.194 0.000 1.353 2172 I CB -0.627 37.389 38.000 0.027 0.000 1.054 2172 I HN -0.163 nan 8.210 nan 0.000 0.407 2173 M N 0.167 119.563 119.600 -0.341 0.000 2.374 2173 M HA -0.169 4.312 4.480 0.001 0.000 0.264 2173 M C 2.125 178.064 176.300 -0.602 0.000 1.067 2173 M CA 1.190 56.238 55.300 -0.420 0.000 1.103 2173 M CB -0.355 32.202 32.600 -0.072 0.000 1.402 2173 M HN 0.008 nan 8.290 nan 0.000 0.444 2174 K N 1.128 121.279 120.400 -0.414 0.000 2.360 2174 K HA -0.136 4.185 4.320 0.001 0.000 0.201 2174 K C 1.639 178.013 176.600 -0.377 0.000 1.046 2174 K CA 1.391 57.496 56.287 -0.303 0.000 0.945 2174 K CB -0.140 32.242 32.500 -0.197 0.000 0.750 2174 K HN 0.433 nan 8.250 nan 0.000 0.464 2175 Q N -1.186 118.225 119.800 -0.649 0.000 2.291 2175 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 2175 Q C 0.523 176.367 176.000 -0.260 0.000 0.976 2175 Q CA 1.578 57.073 55.803 -0.515 0.000 0.875 2175 Q CB -0.064 28.251 28.738 -0.705 0.000 0.927 2175 Q HN 0.650 nan 8.270 nan 0.000 0.450 2176 W N -2.212 119.091 121.300 0.005 0.000 2.304 2176 W HA 0.723 5.384 4.660 0.001 0.000 0.326 2176 W C -0.219 176.285 176.519 -0.025 0.000 0.920 2176 W CA -0.297 57.045 57.345 -0.004 0.000 1.518 2176 W CB 0.247 29.712 29.460 0.008 0.000 1.112 2176 W HN -0.083 nan 8.180 nan 0.000 0.528 2177 A N 0.584 123.437 122.820 0.055 0.000 2.567 2177 A HA 0.535 4.855 4.320 0.001 0.000 0.291 2177 A C -1.016 176.534 177.584 -0.057 0.000 1.048 2177 A CA -1.235 50.817 52.037 0.025 0.000 0.661 2177 A CB 0.837 19.907 19.000 0.117 0.000 1.288 2177 A HN 0.031 nan 8.150 nan 0.000 0.424 2178 K N 0.309 120.642 120.400 -0.112 0.000 2.295 2178 K HA 0.498 4.818 4.320 0.001 0.000 0.270 2178 K C -0.768 175.852 176.600 0.033 0.000 1.011 2178 K CA -0.164 56.080 56.287 -0.072 0.000 0.953 2178 K CB 1.073 33.468 32.500 -0.174 0.000 0.956 2178 K HN 0.402 nan 8.250 nan 0.000 0.477 2179 V N 4.540 124.480 119.914 0.044 0.000 2.495 2179 V HA 0.357 4.478 4.120 0.001 0.000 0.298 2179 V C -0.235 175.898 176.094 0.066 0.000 1.031 2179 V CA -0.923 61.406 62.300 0.048 0.000 0.871 2179 V CB 1.426 33.246 31.823 -0.006 0.000 0.988 2179 V HN 0.568 nan 8.190 nan 0.000 0.432 2180 I N 4.120 124.726 120.570 0.059 0.000 2.530 2180 I HA 0.397 4.568 4.170 0.001 0.000 0.297 2180 I C -0.821 175.333 176.117 0.061 0.000 1.011 2180 I CA -0.847 60.470 61.300 0.028 0.000 1.107 2180 I CB 1.799 39.782 38.000 -0.029 0.000 1.285 2180 I HN 0.708 nan 8.210 nan 0.000 0.436 2181 Y N 4.882 125.178 120.300 -0.007 0.000 2.331 2181 Y HA 0.326 4.877 4.550 0.001 0.000 0.338 2181 Y C -0.043 175.881 175.900 0.041 0.000 0.976 2181 Y CA -0.801 57.304 58.100 0.007 0.000 1.137 2181 Y CB 0.851 39.359 38.460 0.081 0.000 1.172 2181 Y HN 0.506 nan 8.280 nan 0.000 0.478 2182 D N 5.210 125.182 120.400 -0.714 0.000 2.393 2182 D HA 0.229 4.870 4.640 0.001 0.000 0.232 2182 D C 0.552 176.342 176.300 -0.850 0.000 1.192 2182 D CA 0.349 54.026 54.000 -0.538 0.000 0.882 2182 D CB 1.322 41.813 40.800 -0.514 0.000 1.038 2182 D HN 0.816 nan 8.370 nan 0.000 0.499 2183 A N 2.939 125.464 122.820 -0.492 0.000 2.067 2183 A HA -0.085 4.236 4.320 0.001 0.000 0.217 2183 A C 1.902 179.461 177.584 -0.041 0.000 1.156 2183 A CA 1.599 53.512 52.037 -0.208 0.000 0.683 2183 A CB -0.196 18.896 19.000 0.153 0.000 0.808 2183 A HN 0.618 nan 8.150 nan 0.000 0.455 2184 T N -4.035 110.487 114.554 -0.053 0.000 3.033 2184 T HA 0.033 4.384 4.350 0.001 0.000 0.248 2184 T C 1.613 176.222 174.700 -0.152 0.000 1.040 2184 T CA 1.181 63.225 62.100 -0.093 0.000 1.133 2184 T CB -0.521 68.256 68.868 -0.151 0.000 0.895 2184 T HN 0.560 nan 8.240 nan 0.000 0.465 2185 H N 1.135 120.177 119.070 -0.047 0.000 2.529 2185 H HA 0.327 4.884 4.556 0.001 0.000 0.277 2185 H C 2.350 177.625 175.328 -0.088 0.000 0.999 2185 H CA 0.894 56.894 56.048 -0.080 0.000 1.256 2185 H CB 0.071 29.738 29.762 -0.159 0.000 1.402 2185 H HN 0.288 nan 8.280 nan 0.000 0.566 2186 S N 0.183 115.874 115.700 -0.016 0.000 2.474 2186 S HA -0.091 4.380 4.470 0.001 0.000 0.235 2186 S C 1.929 176.559 174.600 0.049 0.000 0.997 2186 S CA 1.126 59.317 58.200 -0.015 0.000 0.949 2186 S CB -0.002 63.178 63.200 -0.032 0.000 0.766 2186 S HN 0.461 nan 8.310 nan 0.000 0.517 2187 V N 0.098 120.059 119.914 0.080 0.000 3.578 2187 V HA 0.237 4.358 4.120 0.001 0.000 0.290 2187 V C 0.427 176.589 176.094 0.113 0.000 1.376 2187 V CA -0.538 61.835 62.300 0.122 0.000 1.083 2187 V CB -0.829 31.116 31.823 0.204 0.000 0.911 2187 V HN 0.488 nan 8.190 nan 0.000 0.433 2188 Q N 1.335 121.185 119.800 0.083 0.000 2.354 2188 Q HA 0.570 4.911 4.340 0.001 0.000 0.244 2188 Q C -0.684 175.371 176.000 0.092 0.000 0.969 2188 Q CA -0.525 55.328 55.803 0.084 0.000 0.885 2188 Q CB 1.434 30.220 28.738 0.080 0.000 1.241 2188 Q HN 0.507 nan 8.270 nan 0.000 0.461 2189 L N 2.745 124.024 121.223 0.094 0.000 2.297 2189 L HA 0.402 4.743 4.340 0.001 0.000 0.277 2189 L C -2.182 174.747 176.870 0.097 0.000 1.040 2189 L CA -2.314 52.585 54.840 0.099 0.000 0.867 2189 L CB 0.841 42.959 42.059 0.098 0.000 1.244 2189 L HN 0.502 nan 8.230 nan 0.000 0.433 2190 P HA -0.031 nan 4.420 nan 0.000 0.259 2190 P C 0.743 178.104 177.300 0.102 0.000 1.163 2190 P CA 0.731 63.902 63.100 0.119 0.000 0.760 2190 P CB 0.467 32.254 31.700 0.146 0.000 0.762 2200 M N 0.884 120.589 119.600 0.174 0.000 2.046 2200 M HA 0.495 4.976 4.480 0.001 0.000 0.309 2200 M C 1.042 177.399 176.300 0.094 0.000 0.935 2200 M CA -0.517 54.875 55.300 0.154 0.000 0.915 2200 M CB 2.084 34.876 32.600 0.321 0.000 1.474 2200 M HN 0.636 nan 8.290 nan 0.000 0.415 2201 R N 2.300 122.806 120.500 0.010 0.000 2.120 2201 R HA -0.166 4.174 4.340 0.001 0.000 0.234 2201 R C 1.533 177.807 176.300 -0.043 0.000 1.123 2201 R CA 2.209 58.309 56.100 -0.001 0.000 0.975 2201 R CB 0.128 30.417 30.300 -0.018 0.000 0.866 2201 R HN 0.850 nan 8.270 nan 0.000 0.446 2202 E N -0.621 119.462 120.200 -0.196 0.000 2.331 2202 E HA -0.197 4.154 4.350 0.001 0.000 0.199 2202 E C 0.719 177.120 176.600 -0.332 0.000 1.008 2202 E CA 0.953 57.161 56.400 -0.320 0.000 0.843 2202 E CB -0.170 29.212 29.700 -0.531 0.000 0.761 2202 E HN 0.405 nan 8.360 nan 0.000 0.507 2203 F N 0.550 120.553 119.950 0.088 0.000 2.749 2203 F HA 0.316 4.843 4.527 0.001 0.000 0.300 2203 F C 1.817 177.706 175.800 0.148 0.000 1.103 2203 F CA -0.501 57.561 58.000 0.104 0.000 1.342 2203 F CB -0.035 39.020 39.000 0.091 0.000 1.098 2203 F HN -0.060 nan 8.300 nan 0.000 0.586 2204 I N -0.412 120.321 120.570 0.273 0.000 2.099 2204 I HA -0.370 3.800 4.170 0.001 0.000 0.239 2204 I C 2.550 178.872 176.117 0.343 0.000 1.066 2204 I CA 1.873 63.330 61.300 0.262 0.000 1.324 2204 I CB -0.551 37.541 38.000 0.153 0.000 1.037 2204 I HN 0.130 nan 8.210 nan 0.000 0.401 2205 F N 1.929 121.946 119.950 0.112 0.000 2.075 2205 F HA -0.171 4.357 4.527 0.001 0.000 0.297 2205 F C -0.316 175.541 175.800 0.094 0.000 1.113 2205 F CA 1.277 59.331 58.000 0.090 0.000 1.218 2205 F CB -1.071 37.958 39.000 0.049 0.000 0.984 2205 F HN 0.021 nan 8.300 nan 0.000 0.472 2206 P HA -0.217 nan 4.420 nan 0.000 0.215 2206 P C 1.708 179.047 177.300 0.065 0.000 1.157 2206 P CA 1.684 64.805 63.100 0.035 0.000 0.874 2206 P CB -0.114 31.655 31.700 0.115 0.000 0.790 2207 L N -1.652 119.687 121.223 0.193 0.000 2.217 2207 L HA -0.062 4.279 4.340 0.001 0.000 0.211 2207 L C 2.438 179.384 176.870 0.126 0.000 1.107 2207 L CA 0.903 55.862 54.840 0.199 0.000 0.783 2207 L CB -0.615 41.677 42.059 0.388 0.000 0.919 2207 L HN -0.037 nan 8.230 nan 0.000 0.442 2208 I N -0.112 120.627 120.570 0.282 0.000 2.439 2208 I HA -0.240 3.931 4.170 0.001 0.000 0.251 2208 I C 2.766 178.964 176.117 0.134 0.000 1.139 2208 I CA 0.976 62.456 61.300 0.300 0.000 1.438 2208 I CB -0.020 38.233 38.000 0.422 0.000 1.085 2208 I HN 0.219 nan 8.210 nan 0.000 0.427 2209 R N 0.569 121.118 120.500 0.083 0.000 2.075 2209 R HA -0.124 4.217 4.340 0.001 0.000 0.232 2209 R C 2.358 178.580 176.300 -0.129 0.000 1.126 2209 R CA 1.405 57.489 56.100 -0.028 0.000 0.963 2209 R CB -0.496 29.717 30.300 -0.145 0.000 0.858 2209 R HN 0.404 nan 8.270 nan 0.000 0.435 2210 A N 1.521 124.191 122.820 -0.250 0.000 1.902 2210 A HA -0.134 4.186 4.320 0.001 0.000 0.217 2210 A C 2.421 179.708 177.584 -0.494 0.000 1.181 2210 A CA 1.727 53.458 52.037 -0.510 0.000 0.623 2210 A CB -0.654 17.784 19.000 -0.937 0.000 0.818 2210 A HN 0.392 nan 8.150 nan 0.000 0.443 2211 A N -0.021 122.599 122.820 -0.334 0.000 1.883 2211 A HA -0.092 4.229 4.320 0.001 0.000 0.217 2211 A C 2.345 179.913 177.584 -0.026 0.000 1.186 2211 A CA 2.664 54.629 52.037 -0.120 0.000 0.624 2211 A CB -1.345 17.492 19.000 -0.271 0.000 0.822 2211 A HN 1.182 nan 8.150 nan 0.000 0.444 2212 V N -2.674 117.252 119.914 0.020 0.000 2.548 2212 V HA 0.068 4.188 4.120 0.001 0.000 0.249 2212 V C 2.509 178.673 176.094 0.117 0.000 1.055 2212 V CA 1.592 63.940 62.300 0.080 0.000 1.065 2212 V CB -1.409 30.446 31.823 0.053 0.000 0.681 2212 V HN 0.520 nan 8.190 nan 0.000 0.462 2213 A N 0.531 123.367 122.820 0.027 0.000 1.930 2213 A HA -0.048 4.272 4.320 0.001 0.000 0.217 2213 A C 2.356 180.009 177.584 0.114 0.000 1.175 2213 A CA 2.109 54.181 52.037 0.058 0.000 0.627 2213 A CB -0.756 18.203 19.000 -0.068 0.000 0.815 2213 A HN 0.437 nan 8.150 nan 0.000 0.443 2214 V N -0.950 118.950 119.914 -0.023 0.000 2.323 2214 V HA 0.268 4.388 4.120 0.001 0.000 0.244 2214 V C 1.334 177.343 176.094 -0.142 0.000 1.041 2214 V CA 1.366 63.644 62.300 -0.037 0.000 1.025 2214 V CB -1.219 30.573 31.823 -0.051 0.000 0.656 2214 V HN 1.278 nan 8.190 nan 0.000 0.451 2215 G N -0.404 108.216 108.800 -0.300 0.000 3.400 2215 G HA2 0.107 4.068 3.960 0.001 0.000 0.679 2215 G HA3 0.107 4.068 3.960 0.001 0.000 0.679 2215 G C -0.762 173.906 174.900 -0.387 0.000 1.239 2215 G CA -0.640 43.934 45.100 -0.876 0.000 1.049 2215 G HN 0.996 nan 8.290 nan 0.000 0.539 2216 C N 0.202 119.388 119.300 -0.190 0.000 3.340 2216 C HA 0.896 5.357 4.460 0.001 0.000 0.333 2216 C C 0.530 175.591 174.990 0.119 0.000 1.464 2216 C CA -0.406 58.614 59.018 0.002 0.000 1.337 2216 C CB 1.803 29.607 27.740 0.105 0.000 1.740 2216 C HN 0.627 nan 8.230 nan 0.000 0.450 2217 D N 0.176 120.619 120.400 0.072 0.000 2.379 2217 D HA 0.409 5.050 4.640 0.001 0.000 0.208 2217 D C 0.717 176.861 176.300 -0.260 0.000 1.065 2217 D CA 1.210 55.243 54.000 0.054 0.000 0.848 2217 D CB 1.111 41.950 40.800 0.066 0.000 0.949 2217 D HN 1.091 nan 8.370 nan 0.000 0.509 2218 G N -0.263 108.286 108.800 -0.417 0.000 2.356 2218 G HA2 0.391 4.352 3.960 0.001 0.000 0.294 2218 G HA3 0.391 4.352 3.960 0.001 0.000 0.294 2218 G C -1.831 172.835 174.900 -0.389 0.000 1.423 2218 G CA -0.532 44.008 45.100 -0.932 0.000 0.806 2218 G HN -0.058 nan 8.290 nan 0.000 0.527 2219 V N 0.126 119.836 119.914 -0.339 0.000 2.876 2219 V HA 0.752 4.872 4.120 0.001 0.000 0.312 2219 V C -1.273 174.816 176.094 -0.010 0.000 1.085 2219 V CA -0.735 61.565 62.300 0.000 0.000 0.945 2219 V CB 1.997 33.924 31.823 0.174 0.000 1.017 2219 V HN 0.860 nan 8.190 nan 0.000 0.428 2220 F N 4.915 124.783 119.950 -0.137 0.000 2.467 2220 F HA 0.837 5.365 4.527 0.001 0.000 0.336 2220 F C -0.492 175.228 175.800 -0.134 0.000 1.123 2220 F CA -0.749 57.160 58.000 -0.152 0.000 0.964 2220 F CB 1.480 40.383 39.000 -0.162 0.000 1.136 2220 F HN 0.399 nan 8.300 nan 0.000 0.447 2221 M N 5.788 125.166 119.600 -0.370 0.000 2.224 2221 M HA 0.284 4.765 4.480 0.001 0.000 0.281 2221 M C -1.154 174.907 176.300 -0.399 0.000 1.025 2221 M CA -0.523 54.630 55.300 -0.245 0.000 0.954 2221 M CB 2.529 35.049 32.600 -0.133 0.000 1.639 2221 M HN 0.519 nan 8.290 nan 0.000 0.461 2222 E N 1.665 121.693 120.200 -0.286 0.000 2.259 2222 E HA 0.378 4.729 4.350 0.001 0.000 0.281 2222 E C -0.501 176.007 176.600 -0.154 0.000 1.027 2222 E CA -0.177 56.072 56.400 -0.251 0.000 0.838 2222 E CB 1.834 31.436 29.700 -0.163 0.000 1.066 2222 E HN 0.448 nan 8.360 nan 0.000 0.401 2223 T N 2.362 116.834 114.554 -0.136 0.000 2.893 2223 T HA 0.244 4.595 4.350 0.001 0.000 0.293 2223 T C -1.593 173.110 174.700 0.006 0.000 1.027 2223 T CA -0.638 61.423 62.100 -0.064 0.000 0.988 2223 T CB 1.154 69.972 68.868 -0.083 0.000 1.043 2223 T HN 0.452 nan 8.240 nan 0.000 0.461 2224 H N 3.626 122.659 119.070 -0.063 0.000 2.894 2224 H HA 0.366 4.923 4.556 0.001 0.000 0.367 2224 H C -2.475 172.836 175.328 -0.029 0.000 1.144 2224 H CA -1.745 54.280 56.048 -0.039 0.000 1.180 2224 H CB 2.718 32.457 29.762 -0.038 0.000 1.758 2224 H HN 0.323 nan 8.280 nan 0.000 0.541 2225 P HA -0.094 nan 4.420 nan 0.000 0.216 2225 P C -0.611 176.798 177.300 0.181 0.000 1.153 2225 P CA 1.509 64.638 63.100 0.050 0.000 0.858 2225 P CB 0.408 32.077 31.700 -0.052 0.000 0.789 2226 E N -2.323 118.143 120.200 0.443 0.000 3.132 2226 E HA 0.156 4.507 4.350 0.001 0.000 0.241 2226 E C -2.188 174.392 176.600 -0.035 0.000 1.196 2226 E CA -1.624 54.885 56.400 0.181 0.000 0.869 2226 E CB 0.998 30.770 29.700 0.122 0.000 1.387 2226 E HN 0.085 nan 8.360 nan 0.000 0.393 2227 P HA -0.320 nan 4.420 nan 0.000 0.218 2227 P C 1.249 178.413 177.300 -0.227 0.000 1.154 2227 P CA 1.596 64.567 63.100 -0.214 0.000 0.872 2227 P CB 0.156 31.810 31.700 -0.078 0.000 0.790 2228 E N 0.193 120.315 120.200 -0.129 0.000 2.267 2228 E HA -0.208 4.142 4.350 0.001 0.000 0.197 2228 E C 1.305 177.833 176.600 -0.121 0.000 0.998 2228 E CA 1.217 57.558 56.400 -0.099 0.000 0.830 2228 E CB -0.644 29.023 29.700 -0.055 0.000 0.751 2228 E HN 0.297 nan 8.360 nan 0.000 0.491 2229 K N 0.448 120.745 120.400 -0.171 0.000 2.353 2229 K HA 0.287 4.608 4.320 0.001 0.000 0.195 2229 K C 0.488 176.942 176.600 -0.242 0.000 1.031 2229 K CA 0.162 56.359 56.287 -0.151 0.000 1.079 2229 K CB 0.746 33.204 32.500 -0.070 0.000 0.857 2229 K HN 0.129 nan 8.250 nan 0.000 0.535 2230 A N 1.263 123.818 122.820 -0.442 0.000 2.555 2230 A HA 0.009 4.330 4.320 0.001 0.000 0.233 2230 A C 0.932 178.386 177.584 -0.216 0.000 1.060 2230 A CA 0.194 51.964 52.037 -0.446 0.000 0.759 2230 A CB 0.071 18.796 19.000 -0.460 0.000 0.995 2230 A HN 0.291 nan 8.150 nan 0.000 0.506 2231 L N 1.071 122.170 121.223 -0.206 0.000 2.592 2231 L HA 0.159 4.500 4.340 0.001 0.000 0.227 2231 L C 0.985 177.837 176.870 -0.031 0.000 1.127 2231 L CA 0.616 55.325 54.840 -0.219 0.000 0.884 2231 L CB -0.178 41.475 42.059 -0.675 0.000 1.065 2231 L HN 0.659 nan 8.230 nan 0.000 0.457 2232 S N -0.889 114.812 115.700 0.001 0.000 2.541 2232 S HA 0.274 4.744 4.470 0.001 0.000 0.271 2232 S C -1.008 173.609 174.600 0.028 0.000 1.133 2232 S CA -0.688 57.559 58.200 0.078 0.000 0.876 2232 S CB 1.123 64.425 63.200 0.170 0.000 1.105 2232 S HN 0.242 nan 8.310 nan 0.000 0.470 2233 D N 1.765 122.187 120.400 0.037 0.000 2.755 2233 D HA -0.177 4.464 4.640 0.001 0.000 0.227 2233 D C 1.043 177.321 176.300 -0.037 0.000 1.211 2233 D CA 1.031 55.034 54.000 0.005 0.000 0.663 2233 D CB -1.070 39.726 40.800 -0.007 0.000 0.983 2233 D HN 0.662 nan 8.370 nan 0.000 0.407 2234 A N -0.380 122.412 122.820 -0.046 0.000 1.968 2234 A HA -0.078 4.242 4.320 0.001 0.000 0.217 2234 A C 2.278 179.827 177.584 -0.059 0.000 1.169 2234 A CA 1.329 53.316 52.037 -0.084 0.000 0.638 2234 A CB 0.110 19.056 19.000 -0.089 0.000 0.812 2234 A HN 0.302 nan 8.150 nan 0.000 0.446 2235 S N -0.564 115.118 115.700 -0.030 0.000 2.515 2235 S HA -0.048 4.423 4.470 0.001 0.000 0.231 2235 S C 1.642 176.234 174.600 -0.014 0.000 0.987 2235 S CA 1.519 59.710 58.200 -0.015 0.000 0.936 2235 S CB -0.154 63.050 63.200 0.007 0.000 0.766 2235 S HN 0.886 nan 8.310 nan 0.000 0.528 2236 T N -1.924 112.612 114.554 -0.030 0.000 3.004 2236 T HA 0.254 4.605 4.350 0.001 0.000 0.266 2236 T C 0.271 174.935 174.700 -0.060 0.000 0.986 2236 T CA -0.353 61.725 62.100 -0.037 0.000 0.902 2236 T CB 0.049 68.888 68.868 -0.049 0.000 1.118 2236 T HN 0.109 nan 8.240 nan 0.000 0.522 2237 Q N 1.375 121.136 119.800 -0.064 0.000 2.313 2237 Q HA 0.384 4.725 4.340 0.001 0.000 0.266 2237 Q C -0.761 175.216 176.000 -0.039 0.000 0.989 2237 Q CA -0.489 55.279 55.803 -0.059 0.000 0.890 2237 Q CB 1.198 29.911 28.738 -0.040 0.000 1.200 2237 Q HN 0.314 nan 8.270 nan 0.000 0.396 2238 L N 5.833 127.030 121.223 -0.043 0.000 2.416 2238 L HA 0.227 4.568 4.340 0.001 0.000 0.272 2238 L C -2.332 174.526 176.870 -0.020 0.000 1.161 2238 L CA -1.373 53.443 54.840 -0.039 0.000 0.845 2238 L CB 0.600 42.623 42.059 -0.060 0.000 1.119 2238 L HN 0.401 nan 8.230 nan 0.000 0.464 2239 P HA 0.024 nan 4.420 nan 0.000 0.267 2239 P C 0.927 178.221 177.300 -0.010 0.000 1.205 2239 P CA -0.001 63.099 63.100 0.001 0.000 0.765 2239 P CB 0.635 32.332 31.700 -0.006 0.000 0.828 2240 L N 2.836 124.059 121.223 -0.000 0.000 2.051 2240 L HA -0.282 4.059 4.340 0.001 0.000 0.214 2240 L C 2.109 178.968 176.870 -0.018 0.000 1.076 2240 L CA 2.561 57.390 54.840 -0.017 0.000 0.758 2240 L CB -0.686 41.360 42.059 -0.023 0.000 0.890 2240 L HN 0.458 nan 8.230 nan 0.000 0.433 2241 S N -1.473 114.219 115.700 -0.013 0.000 2.442 2241 S HA -0.248 4.222 4.470 0.001 0.000 0.236 2241 S C 1.612 176.201 174.600 -0.017 0.000 1.007 2241 S CA 1.040 59.233 58.200 -0.011 0.000 0.965 2241 S CB -0.244 62.952 63.200 -0.006 0.000 0.773 2241 S HN 0.574 nan 8.310 nan 0.000 0.504 2242 Q N -0.324 119.455 119.800 -0.034 0.000 2.392 2242 Q HA 0.321 4.661 4.340 0.001 0.000 0.203 2242 Q C 1.713 177.660 176.000 -0.088 0.000 0.917 2242 Q CA -0.050 55.714 55.803 -0.064 0.000 0.939 2242 Q CB -0.057 28.630 28.738 -0.085 0.000 1.063 2242 Q HN 0.437 nan 8.270 nan 0.000 0.516 2243 L N 1.491 122.682 121.223 -0.054 0.000 2.012 2243 L HA -0.215 4.126 4.340 0.001 0.000 0.210 2243 L C 2.158 179.021 176.870 -0.011 0.000 1.073 2243 L CA 1.985 56.800 54.840 -0.043 0.000 0.748 2243 L CB -0.408 41.647 42.059 -0.007 0.000 0.891 2243 L HN 0.219 nan 8.230 nan 0.000 0.431 2244 E N -0.956 119.273 120.200 0.048 0.000 2.058 2244 E HA -0.226 4.125 4.350 0.001 0.000 0.194 2244 E C 2.075 178.723 176.600 0.079 0.000 0.997 2244 E CA 1.275 57.761 56.400 0.142 0.000 0.801 2244 E CB -0.523 29.279 29.700 0.172 0.000 0.746 2244 E HN 0.621 nan 8.360 nan 0.000 0.450 2245 G N 1.313 110.123 108.800 0.017 0.000 2.440 2245 G HA2 -0.258 3.702 3.960 0.001 0.000 0.218 2245 G HA3 -0.258 3.702 3.960 0.001 0.000 0.218 2245 G C 1.612 176.457 174.900 -0.093 0.000 1.154 2245 G CA 1.009 46.103 45.100 -0.010 0.000 0.767 2245 G HN 0.276 nan 8.290 nan 0.000 0.552 2246 I N 0.319 120.743 120.570 -0.243 0.000 2.315 2246 I HA -0.078 4.093 4.170 0.001 0.000 0.248 2246 I C 2.651 178.680 176.117 -0.147 0.000 1.117 2246 I CA 0.626 61.699 61.300 -0.378 0.000 1.404 2246 I CB -0.173 37.526 38.000 -0.502 0.000 1.071 2246 I HN 0.168 nan 8.210 nan 0.000 0.419 2247 I N 0.662 121.140 120.570 -0.153 0.000 2.179 2247 I HA -0.283 3.888 4.170 0.001 0.000 0.242 2247 I C 2.633 178.565 176.117 -0.307 0.000 1.088 2247 I CA 1.322 62.476 61.300 -0.244 0.000 1.357 2247 I CB -0.292 37.481 38.000 -0.378 0.000 1.051 2247 I HN 0.207 nan 8.210 nan 0.000 0.409 2248 E N 1.579 121.644 120.200 -0.225 0.000 2.085 2248 E HA -0.218 4.133 4.350 0.001 0.000 0.194 2248 E C 2.052 178.652 176.600 0.001 0.000 0.994 2248 E CA 1.813 58.178 56.400 -0.058 0.000 0.801 2248 E CB -0.198 29.595 29.700 0.155 0.000 0.743 2248 E HN 0.418 nan 8.360 nan 0.000 0.453 2249 A N 1.197 124.050 122.820 0.056 0.000 1.877 2249 A HA -0.140 4.181 4.320 0.001 0.000 0.216 2249 A C 2.391 180.027 177.584 0.086 0.000 1.186 2249 A CA 1.856 53.979 52.037 0.143 0.000 0.620 2249 A CB -1.038 18.202 19.000 0.401 0.000 0.822 2249 A HN 0.528 nan 8.150 nan 0.000 0.443 2250 I N -2.737 117.869 120.570 0.060 0.000 2.493 2250 I HA -0.113 4.057 4.170 0.001 0.000 0.254 2250 I C 2.024 178.054 176.117 -0.145 0.000 1.160 2250 I CA 1.041 62.339 61.300 -0.003 0.000 1.445 2250 I CB -0.415 37.610 38.000 0.041 0.000 1.086 2250 I HN 0.199 nan 8.210 nan 0.000 0.433 2251 L N 1.103 122.227 121.223 -0.164 0.000 2.072 2251 L HA -0.101 4.240 4.340 0.001 0.000 0.205 2251 L C 2.677 179.479 176.870 -0.112 0.000 1.079 2251 L CA 1.472 56.194 54.840 -0.197 0.000 0.752 2251 L CB -0.558 41.412 42.059 -0.149 0.000 0.906 2251 L HN 0.258 nan 8.230 nan 0.000 0.436 2252 E N 0.411 120.581 120.200 -0.051 0.000 2.077 2252 E HA -0.206 4.145 4.350 0.001 0.000 0.193 2252 E C 2.256 178.831 176.600 -0.041 0.000 0.989 2252 E CA 1.198 57.582 56.400 -0.026 0.000 0.800 2252 E CB -0.068 29.636 29.700 0.007 0.000 0.746 2252 E HN 0.459 nan 8.360 nan 0.000 0.452 2253 I N 0.766 121.312 120.570 -0.041 0.000 2.252 2253 I HA -0.257 3.914 4.170 0.001 0.000 0.245 2253 I C 2.736 178.821 176.117 -0.053 0.000 1.102 2253 I CA 0.976 62.253 61.300 -0.038 0.000 1.385 2253 I CB -0.237 37.747 38.000 -0.026 0.000 1.064 2253 I HN 0.034 nan 8.210 nan 0.000 0.414 2254 R N 1.065 121.512 120.500 -0.089 0.000 2.091 2254 R HA -0.233 4.108 4.340 0.001 0.000 0.238 2254 R C 2.366 178.580 176.300 -0.144 0.000 1.136 2254 R CA 1.656 57.697 56.100 -0.098 0.000 0.959 2254 R CB -0.270 29.880 30.300 -0.249 0.000 0.856 2254 R HN 0.248 nan 8.270 nan 0.000 0.437 2255 E N 0.327 120.451 120.200 -0.126 0.000 2.070 2255 E HA -0.166 4.184 4.350 0.001 0.000 0.197 2255 E C 1.861 178.384 176.600 -0.128 0.000 1.004 2255 E CA 1.834 58.165 56.400 -0.115 0.000 0.805 2255 E CB -0.029 29.628 29.700 -0.072 0.000 0.744 2255 E HN 0.296 nan 8.360 nan 0.000 0.451 2256 V N 0.913 120.771 119.914 -0.094 0.000 2.346 2256 V HA -0.137 3.984 4.120 0.001 0.000 0.244 2256 V C 2.548 178.598 176.094 -0.072 0.000 1.037 2256 V CA 1.611 63.871 62.300 -0.066 0.000 1.029 2256 V CB -0.774 31.038 31.823 -0.018 0.000 0.663 2256 V HN 0.331 nan 8.190 nan 0.000 0.454 2257 A N 0.916 123.683 122.820 -0.088 0.000 1.968 2257 A HA -0.162 4.159 4.320 0.001 0.000 0.217 2257 A C 2.509 179.789 177.584 -0.505 0.000 1.169 2257 A CA 1.812 53.802 52.037 -0.078 0.000 0.638 2257 A CB -0.736 18.279 19.000 0.026 0.000 0.812 2257 A HN 0.670 nan 8.150 nan 0.000 0.446 2258 S N 0.425 115.601 115.700 -0.873 0.000 2.420 2258 S HA -0.288 4.183 4.470 0.001 0.000 0.237 2258 S C 1.850 175.965 174.600 -0.808 0.000 1.023 2258 S CA 1.733 59.059 58.200 -1.457 0.000 0.991 2258 S CB -0.484 62.311 63.200 -0.676 0.000 0.792 2258 S HN 0.660 nan 8.310 nan 0.000 0.488 2259 K N 0.470 120.521 120.400 -0.582 0.000 2.152 2259 K HA -0.144 4.177 4.320 0.001 0.000 0.206 2259 K C 0.924 177.116 176.600 -0.680 0.000 1.048 2259 K CA 1.521 57.433 56.287 -0.625 0.000 0.933 2259 K CB -0.245 31.771 32.500 -0.806 0.000 0.721 2259 K HN 0.657 nan 8.250 nan 0.000 0.447 2260 Y N -0.835 119.346 120.300 -0.197 0.000 2.458 2260 Y HA 0.127 4.677 4.550 0.001 0.000 0.256 2260 Y C -0.250 175.690 175.900 0.066 0.000 1.159 2260 Y CA -0.965 57.098 58.100 -0.061 0.000 1.261 2260 Y CB 0.185 38.621 38.460 -0.040 0.000 1.119 2260 Y HN -0.131 nan 8.280 nan 0.000 0.524 2261 Y N 2.161 122.499 120.300 0.065 0.000 2.620 2261 Y HA 0.074 4.625 4.550 0.001 0.000 0.330 2261 Y C 0.701 176.619 175.900 0.029 0.000 1.186 2261 Y CA -1.034 57.092 58.100 0.043 0.000 1.467 2261 Y CB -0.095 38.377 38.460 0.021 0.000 1.262 2261 Y HN 0.132 nan 8.280 nan 0.000 0.550 2262 E N 0.660 120.970 120.200 0.182 0.000 2.383 2262 E HA 0.149 4.499 4.350 0.001 0.000 0.264 2262 E C -0.160 176.480 176.600 0.068 0.000 1.050 2262 E CA -0.080 56.379 56.400 0.097 0.000 0.896 2262 E CB 0.312 30.048 29.700 0.060 0.000 0.982 2262 E HN 0.426 nan 8.360 nan 0.000 0.424 2263 T N 3.661 118.242 114.554 0.045 0.000 2.779 2263 T HA 0.220 4.570 4.350 0.001 0.000 0.296 2263 T C 0.829 175.532 174.700 0.005 0.000 0.938 2263 T CA -0.213 61.903 62.100 0.027 0.000 1.119 2263 T CB -0.238 68.643 68.868 0.022 0.000 0.891 2263 T HN 0.541 nan 8.240 nan 0.000 0.526 2264 I N 0.000 120.564 120.570 -0.010 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.276 61.300 -0.040 0.000 1.566 2264 I CB 0.000 37.983 38.000 -0.028 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494