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 1pck_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 0.000 176.694 176.600 0.156 0.000 0.988 2003 K CA 0.000 56.367 56.287 0.133 0.000 0.838 2003 K CB 0.000 32.572 32.500 0.120 0.000 1.064 2004 F N 1.789 121.752 119.950 0.021 0.000 2.607 2004 F HA 0.182 4.709 4.527 0.001 0.000 0.374 2004 F C -0.231 175.530 175.800 -0.065 0.000 1.104 2004 F CA -0.274 57.723 58.000 -0.005 0.000 1.296 2004 F CB 0.523 39.512 39.000 -0.018 0.000 1.085 2004 F HN 0.452 nan 8.300 nan 0.000 0.584 2005 L N 6.495 127.340 121.223 -0.630 0.000 2.309 2005 L HA 0.561 4.901 4.340 0.001 0.000 0.282 2005 L C -1.184 175.289 176.870 -0.661 0.000 1.036 2005 L CA -0.478 54.057 54.840 -0.507 0.000 0.806 2005 L CB 1.621 43.467 42.059 -0.355 0.000 1.220 2005 L HN 0.376 nan 8.230 nan 0.000 0.429 2006 V N 6.582 126.184 119.914 -0.521 0.000 2.380 2006 V HA 0.419 4.539 4.120 0.001 0.000 0.286 2006 V C -0.187 175.717 176.094 -0.316 0.000 1.015 2006 V CA -0.414 61.609 62.300 -0.462 0.000 0.834 2006 V CB 1.439 32.853 31.823 -0.681 0.000 1.009 2006 V HN 0.540 nan 8.190 nan 0.000 0.428 2007 I N 4.702 125.113 120.570 -0.265 0.000 2.312 2007 I HA 0.792 4.963 4.170 0.001 0.000 0.290 2007 I C 0.359 176.226 176.117 -0.417 0.000 1.008 2007 I CA -0.050 61.085 61.300 -0.275 0.000 1.226 2007 I CB 1.410 39.278 38.000 -0.220 0.000 1.371 2007 I HN 0.686 nan 8.210 nan 0.000 0.468 2008 A N 4.640 127.251 122.820 -0.348 0.000 2.587 2008 A HA 1.014 5.334 4.320 0.001 0.000 0.293 2008 A C -0.393 176.888 177.584 -0.505 0.000 1.087 2008 A CA -0.274 51.526 52.037 -0.395 0.000 0.692 2008 A CB 2.016 20.910 19.000 -0.176 0.000 1.291 2008 A HN 0.907 nan 8.150 nan 0.000 0.407 2009 G N -0.281 108.217 108.800 -0.502 0.000 2.356 2009 G HA2 0.493 4.453 3.960 0.001 0.000 0.300 2009 G HA3 0.493 4.453 3.960 0.001 0.000 0.300 2009 G C -3.565 171.118 174.900 -0.362 0.000 1.331 2009 G CA -0.205 44.508 45.100 -0.645 0.000 0.905 2009 G HN 0.738 nan 8.290 nan 0.000 0.587 2010 P HA 0.234 nan 4.420 nan 0.000 0.275 2010 P C 1.339 178.635 177.300 -0.007 0.000 1.227 2010 P CA 0.026 63.104 63.100 -0.037 0.000 0.781 2010 P CB 1.646 33.367 31.700 0.035 0.000 0.906 2011 C N 3.231 122.568 119.300 0.062 0.000 2.367 2011 C HA -0.031 4.430 4.460 0.001 0.000 0.276 2011 C C 1.293 176.364 174.990 0.135 0.000 1.195 2011 C CA 1.775 60.853 59.018 0.099 0.000 1.756 2011 C CB -1.374 26.433 27.740 0.112 0.000 2.046 2011 C HN 0.706 nan 8.230 nan 0.000 0.453 2012 A N -0.664 122.276 122.820 0.200 0.000 2.380 2012 A HA 0.706 5.026 4.320 0.001 0.000 0.315 2012 A C -0.369 177.411 177.584 0.327 0.000 1.101 2012 A CA -0.596 51.608 52.037 0.277 0.000 0.771 2012 A CB 0.496 19.755 19.000 0.433 0.000 1.287 2012 A HN 0.439 nan 8.150 nan 0.000 0.436 2013 I N 2.394 123.185 120.570 0.368 0.000 2.352 2013 I HA 0.018 4.188 4.170 0.001 0.000 0.303 2013 I C 0.830 177.267 176.117 0.533 0.000 1.194 2013 I CA 0.267 61.810 61.300 0.405 0.000 1.518 2013 I CB -0.215 38.039 38.000 0.422 0.000 1.489 2013 I HN 0.838 nan 8.210 nan 0.000 0.702 2014 E N 3.064 123.516 120.200 0.419 0.000 2.268 2014 E HA -0.071 4.280 4.350 0.001 0.000 0.195 2014 E C 0.345 177.139 176.600 0.324 0.000 0.995 2014 E CA 0.464 57.084 56.400 0.367 0.000 0.836 2014 E CB 0.078 29.851 29.700 0.122 0.000 0.763 2014 E HN 0.708 nan 8.360 nan 0.000 0.491 2015 S N -0.748 115.120 115.700 0.280 0.000 2.678 2015 S HA 0.017 4.487 4.470 0.001 0.000 0.290 2015 S C 0.295 175.018 174.600 0.206 0.000 1.047 2015 S CA -0.725 57.610 58.200 0.226 0.000 0.851 2015 S CB 0.985 64.254 63.200 0.115 0.000 1.058 2015 S HN 0.212 nan 8.310 nan 0.000 0.451 2016 E N 1.060 121.354 120.200 0.158 0.000 2.204 2016 E HA -0.199 4.152 4.350 0.001 0.000 0.195 2016 E C 1.410 178.034 176.600 0.040 0.000 0.990 2016 E CA 1.266 57.679 56.400 0.021 0.000 0.821 2016 E CB -0.209 29.419 29.700 -0.119 0.000 0.750 2016 E HN 0.788 nan 8.360 nan 0.000 0.477 2017 E N 0.663 120.896 120.200 0.056 0.000 2.077 2017 E HA -0.211 4.139 4.350 0.001 0.000 0.193 2017 E C 2.089 178.716 176.600 0.045 0.000 0.989 2017 E CA 1.024 57.450 56.400 0.042 0.000 0.800 2017 E CB -0.057 29.667 29.700 0.039 0.000 0.746 2017 E HN 0.343 nan 8.360 nan 0.000 0.452 2018 L N 0.926 122.183 121.223 0.056 0.000 2.046 2018 L HA -0.161 4.180 4.340 0.001 0.000 0.208 2018 L C 2.107 179.020 176.870 0.072 0.000 1.077 2018 L CA 1.560 56.417 54.840 0.028 0.000 0.747 2018 L CB -0.364 41.711 42.059 0.028 0.000 0.896 2018 L HN 0.222 nan 8.230 nan 0.000 0.432 2019 L N -1.262 120.041 121.223 0.135 0.000 2.083 2019 L HA -0.231 4.110 4.340 0.001 0.000 0.209 2019 L C 2.537 179.448 176.870 0.068 0.000 1.083 2019 L CA 1.223 56.193 54.840 0.216 0.000 0.752 2019 L CB -0.721 41.440 42.059 0.170 0.000 0.899 2019 L HN 0.339 nan 8.230 nan 0.000 0.433 2020 L N -0.149 121.112 121.223 0.064 0.000 2.056 2020 L HA -0.202 4.138 4.340 0.001 0.000 0.207 2020 L C 2.724 179.658 176.870 0.107 0.000 1.078 2020 L CA 1.284 56.210 54.840 0.143 0.000 0.749 2020 L CB -0.492 41.631 42.059 0.107 0.000 0.901 2020 L HN 0.248 nan 8.230 nan 0.000 0.433 2021 K N 0.165 120.594 120.400 0.049 0.000 2.026 2021 K HA -0.147 4.173 4.320 0.001 0.000 0.208 2021 K C 1.989 178.568 176.600 -0.035 0.000 1.048 2021 K CA 1.371 57.661 56.287 0.004 0.000 0.929 2021 K CB 0.054 32.546 32.500 -0.013 0.000 0.713 2021 K HN 0.064 nan 8.250 nan 0.000 0.439 2022 V N 0.388 120.308 119.914 0.009 0.000 2.453 2022 V HA -0.124 3.997 4.120 0.001 0.000 0.247 2022 V C 2.331 178.447 176.094 0.036 0.000 1.048 2022 V CA 1.979 64.306 62.300 0.046 0.000 1.049 2022 V CB -0.640 31.266 31.823 0.138 0.000 0.672 2022 V HN 0.575 nan 8.190 nan 0.000 0.457 2023 G N -0.564 108.208 108.800 -0.047 0.000 2.432 2023 G HA2 -0.282 3.678 3.960 0.001 0.000 0.219 2023 G HA3 -0.282 3.678 3.960 0.001 0.000 0.219 2023 G C 1.511 175.806 174.900 -1.009 0.000 1.135 2023 G CA 0.922 45.757 45.100 -0.441 0.000 0.767 2023 G HN 0.580 nan 8.290 nan 0.000 0.550 2024 E N 0.110 119.794 120.200 -0.860 0.000 2.072 2024 E HA -0.155 4.195 4.350 0.001 0.000 0.191 2024 E C 2.273 178.614 176.600 -0.431 0.000 0.985 2024 E CA 1.284 57.222 56.400 -0.770 0.000 0.801 2024 E CB -0.061 29.497 29.700 -0.237 0.000 0.750 2024 E HN 0.414 nan 8.360 nan 0.000 0.452 2025 E N 0.792 120.829 120.200 -0.272 0.000 2.072 2025 E HA -0.110 4.241 4.350 0.001 0.000 0.190 2025 E C 1.913 178.390 176.600 -0.204 0.000 0.982 2025 E CA 1.112 57.407 56.400 -0.176 0.000 0.803 2025 E CB -0.238 29.402 29.700 -0.100 0.000 0.755 2025 E HN 0.378 nan 8.360 nan 0.000 0.453 2026 I N 0.342 120.786 120.570 -0.209 0.000 2.394 2026 I HA -0.211 3.959 4.170 0.001 0.000 0.251 2026 I C 2.178 178.063 176.117 -0.386 0.000 1.136 2026 I CA 1.002 62.165 61.300 -0.230 0.000 1.425 2026 I CB -0.230 37.758 38.000 -0.020 0.000 1.079 2026 I HN 0.082 nan 8.210 nan 0.000 0.425 2027 K N 1.600 121.765 120.400 -0.391 0.000 2.057 2027 K HA -0.183 4.138 4.320 0.001 0.000 0.206 2027 K C 2.183 178.623 176.600 -0.268 0.000 1.050 2027 K CA 1.456 57.545 56.287 -0.330 0.000 0.935 2027 K CB -0.300 31.959 32.500 -0.402 0.000 0.715 2027 K HN 0.080 nan 8.250 nan 0.000 0.439 2028 R N -0.220 120.131 120.500 -0.248 0.000 2.070 2028 R HA -0.090 4.250 4.340 0.001 0.000 0.233 2028 R C 1.853 178.035 176.300 -0.197 0.000 1.137 2028 R CA 1.510 57.504 56.100 -0.178 0.000 0.945 2028 R CB -0.302 29.916 30.300 -0.138 0.000 0.845 2028 R HN 0.149 nan 8.270 nan 0.000 0.430 2029 L N 0.686 121.769 121.223 -0.234 0.000 2.131 2029 L HA -0.115 4.225 4.340 0.001 0.000 0.210 2029 L C 2.494 179.170 176.870 -0.324 0.000 1.092 2029 L CA 1.643 56.393 54.840 -0.150 0.000 0.759 2029 L CB -1.478 40.533 42.059 -0.080 0.000 0.903 2029 L HN 0.272 nan 8.230 nan 0.000 0.435 2030 S N -0.671 114.616 115.700 -0.688 0.000 2.383 2030 S HA -0.168 4.303 4.470 0.001 0.000 0.229 2030 S C 1.782 176.326 174.600 -0.093 0.000 1.030 2030 S CA 1.136 59.028 58.200 -0.514 0.000 1.002 2030 S CB 0.060 63.040 63.200 -0.367 0.000 0.829 2030 S HN 0.423 nan 8.310 nan 0.000 0.467 2031 E N 0.697 120.824 120.200 -0.122 0.000 2.230 2031 E HA 0.004 4.354 4.350 0.001 0.000 0.192 2031 E C 1.935 178.477 176.600 -0.096 0.000 0.987 2031 E CA 0.566 56.925 56.400 -0.069 0.000 0.841 2031 E CB -0.165 29.491 29.700 -0.075 0.000 0.783 2031 E HN 0.588 nan 8.360 nan 0.000 0.481 2032 K N -0.149 120.140 120.400 -0.183 0.000 2.098 2032 K HA 0.004 4.325 4.320 0.001 0.000 0.203 2032 K C 0.102 176.432 176.600 -0.449 0.000 1.051 2032 K CA 0.509 56.563 56.287 -0.388 0.000 0.957 2032 K CB 0.187 32.311 32.500 -0.627 0.000 0.738 2032 K HN -0.079 nan 8.250 nan 0.000 0.447 2033 F N 1.781 121.801 119.950 0.117 0.000 2.334 2033 F HA 0.299 4.827 4.527 0.001 0.000 0.343 2033 F C 0.654 176.591 175.800 0.228 0.000 1.136 2033 F CA -0.834 57.286 58.000 0.200 0.000 1.237 2033 F CB 1.238 40.435 39.000 0.327 0.000 1.525 2033 F HN -0.221 nan 8.300 nan 0.000 0.528 2034 K N 0.559 121.102 120.400 0.238 0.000 2.280 2034 K HA -0.160 4.160 4.320 0.001 0.000 0.202 2034 K C 1.673 178.393 176.600 0.200 0.000 1.047 2034 K CA 0.803 57.205 56.287 0.192 0.000 0.942 2034 K CB 0.136 32.700 32.500 0.107 0.000 0.739 2034 K HN 0.418 nan 8.250 nan 0.000 0.457 2035 E N 0.559 120.888 120.200 0.215 0.000 2.481 2035 E HA -0.006 4.345 4.350 0.001 0.000 0.195 2035 E C -0.348 176.363 176.600 0.185 0.000 1.047 2035 E CA 0.062 56.566 56.400 0.174 0.000 0.867 2035 E CB 0.375 30.164 29.700 0.149 0.000 0.858 2035 E HN -0.154 nan 8.360 nan 0.000 0.513 2036 V N 1.349 121.403 119.914 0.233 0.000 2.472 2036 V HA 0.241 4.362 4.120 0.001 0.000 0.290 2036 V C -0.035 176.123 176.094 0.107 0.000 1.037 2036 V CA -0.796 61.576 62.300 0.121 0.000 0.908 2036 V CB 1.670 33.472 31.823 -0.035 0.000 0.985 2036 V HN 0.067 nan 8.190 nan 0.000 0.454 2037 E N 3.517 123.711 120.200 -0.011 0.000 2.081 2037 E HA 0.362 4.713 4.350 0.001 0.000 0.281 2037 E C -1.418 175.135 176.600 -0.077 0.000 0.986 2037 E CA -0.451 55.973 56.400 0.040 0.000 0.796 2037 E CB 0.553 30.270 29.700 0.029 0.000 1.085 2037 E HN 0.499 nan 8.360 nan 0.000 0.398 2038 F N 2.969 122.943 119.950 0.040 0.000 2.385 2038 F HA 0.318 4.845 4.527 0.001 0.000 0.336 2038 F C 0.049 175.858 175.800 0.015 0.000 1.100 2038 F CA -0.524 57.487 58.000 0.019 0.000 1.116 2038 F CB 1.478 40.505 39.000 0.045 0.000 1.166 2038 F HN 0.131 nan 8.300 nan 0.000 0.511 2039 V N 4.311 124.307 119.914 0.137 0.000 2.525 2039 V HA 0.225 4.345 4.120 0.001 0.000 0.299 2039 V C -0.817 175.334 176.094 0.095 0.000 1.034 2039 V CA -1.032 61.322 62.300 0.090 0.000 0.863 2039 V CB 1.626 33.434 31.823 -0.026 0.000 0.999 2039 V HN 0.541 nan 8.190 nan 0.000 0.423 2040 F N 5.786 125.748 119.950 0.019 0.000 2.438 2040 F HA 0.546 5.073 4.527 0.001 0.000 0.356 2040 F C 0.249 176.037 175.800 -0.021 0.000 1.099 2040 F CA 0.274 58.273 58.000 -0.003 0.000 1.185 2040 F CB 0.527 39.538 39.000 0.019 0.000 1.115 2040 F HN 0.389 nan 8.300 nan 0.000 0.526 2041 K N 4.626 124.648 120.400 -0.631 0.000 2.371 2041 K HA 0.610 4.931 4.320 0.001 0.000 0.251 2041 K C -1.673 174.666 176.600 -0.435 0.000 0.934 2041 K CA -0.474 55.588 56.287 -0.376 0.000 0.798 2041 K CB 1.880 34.180 32.500 -0.332 0.000 1.204 2041 K HN 0.686 nan 8.250 nan 0.000 0.427 2042 S N 1.163 116.805 115.700 -0.098 0.000 2.578 2042 S HA 0.320 4.790 4.470 0.001 0.000 0.285 2042 S C -1.721 172.945 174.600 0.110 0.000 1.126 2042 S CA -0.526 57.684 58.200 0.017 0.000 0.878 2042 S CB 1.047 64.322 63.200 0.126 0.000 1.091 2042 S HN 0.506 nan 8.310 nan 0.000 0.450 2043 S N 3.261 119.018 115.700 0.096 0.000 2.499 2043 S HA 0.377 4.848 4.470 0.001 0.000 0.279 2043 S C 0.803 175.456 174.600 0.087 0.000 1.219 2043 S CA -0.587 57.627 58.200 0.023 0.000 1.062 2043 S CB 0.332 63.515 63.200 -0.029 0.000 0.978 2043 S HN 0.684 nan 8.310 nan 0.000 0.489 2044 F N 0.605 120.651 119.950 0.160 0.000 2.710 2044 F HA 0.427 4.954 4.527 0.001 0.000 0.298 2044 F C 0.393 176.254 175.800 0.101 0.000 1.137 2044 F CA -0.316 57.784 58.000 0.167 0.000 1.444 2044 F CB -0.035 39.059 39.000 0.156 0.000 1.111 2044 F HN 0.454 nan 8.300 nan 0.000 0.580 2045 D N 0.246 120.438 120.400 -0.346 0.000 2.931 2045 D HA 0.220 4.861 4.640 0.001 0.000 0.215 2045 D C -1.512 174.545 176.300 -0.404 0.000 1.297 2045 D CA -0.611 53.203 54.000 -0.310 0.000 0.892 2045 D CB 1.247 41.907 40.800 -0.232 0.000 1.642 2045 D HN -0.175 nan 8.370 nan 0.000 0.560 2046 K N 3.045 123.253 120.400 -0.320 0.000 2.231 2046 K HA 0.516 4.837 4.320 0.001 0.000 0.255 2046 K C 0.439 176.867 176.600 -0.288 0.000 1.108 2046 K CA -0.341 55.803 56.287 -0.239 0.000 0.997 2046 K CB 0.931 33.354 32.500 -0.129 0.000 1.549 2046 K HN 0.469 nan 8.250 nan 0.000 0.419 2047 A N 2.662 125.210 122.820 -0.453 0.000 2.206 2047 A HA -0.099 4.221 4.320 0.001 0.000 0.211 2047 A C 1.013 178.511 177.584 -0.144 0.000 1.158 2047 A CA 0.750 52.561 52.037 -0.378 0.000 0.761 2047 A CB -0.563 18.035 19.000 -0.671 0.000 0.801 2047 A HN 0.806 nan 8.150 nan 0.000 0.473 2048 N N -1.328 117.331 118.700 -0.069 0.000 2.351 2048 N HA 0.128 4.869 4.740 0.001 0.000 0.254 2048 N C -0.314 175.239 175.510 0.072 0.000 1.241 2048 N CA -0.745 52.341 53.050 0.060 0.000 0.883 2048 N CB 0.488 39.090 38.487 0.192 0.000 1.202 2048 N HN -0.057 nan 8.380 nan 0.000 0.512 2049 R N 0.595 121.102 120.500 0.012 0.000 2.734 2049 R HA 0.084 4.424 4.340 0.001 0.000 0.266 2049 R C 0.934 177.258 176.300 0.039 0.000 1.044 2049 R CA 0.055 56.172 56.100 0.028 0.000 1.128 2049 R CB 0.534 30.837 30.300 0.004 0.000 1.010 2049 R HN 0.205 nan 8.270 nan 0.000 0.461 2050 S N 0.398 116.128 115.700 0.051 0.000 2.368 2050 S HA -0.093 4.378 4.470 0.001 0.000 0.224 2050 S C 1.041 175.645 174.600 0.007 0.000 1.029 2050 S CA 0.994 59.218 58.200 0.039 0.000 0.988 2050 S CB 0.040 63.269 63.200 0.049 0.000 0.838 2050 S HN 0.641 nan 8.310 nan 0.000 0.462 2051 S N 0.148 115.852 115.700 0.007 0.000 2.525 2051 S HA 0.374 4.844 4.470 0.001 0.000 0.290 2051 S C 0.715 175.273 174.600 -0.070 0.000 1.152 2051 S CA -0.696 57.490 58.200 -0.023 0.000 1.072 2051 S CB 0.927 64.143 63.200 0.028 0.000 1.027 2051 S HN 0.169 nan 8.310 nan 0.000 0.500 2052 I N 4.136 124.595 120.570 -0.184 0.000 2.614 2052 I HA -0.013 4.157 4.170 0.001 0.000 0.258 2052 I C 1.294 177.281 176.117 -0.215 0.000 1.189 2052 I CA 1.746 62.905 61.300 -0.235 0.000 1.462 2052 I CB -0.356 37.441 38.000 -0.339 0.000 1.092 2052 I HN 0.845 nan 8.210 nan 0.000 0.442 2053 H N -1.336 117.741 119.070 0.011 0.000 2.539 2053 H HA 0.302 4.858 4.556 0.001 0.000 0.269 2053 H C 1.051 176.400 175.328 0.034 0.000 0.980 2053 H CA -0.134 55.925 56.048 0.018 0.000 1.152 2053 H CB 0.131 29.904 29.762 0.018 0.000 1.407 2053 H HN 0.167 nan 8.280 nan 0.000 0.564 2054 S N 0.542 116.310 115.700 0.114 0.000 2.632 2054 S HA 0.077 4.548 4.470 0.001 0.000 0.267 2054 S C -0.259 174.415 174.600 0.124 0.000 1.276 2054 S CA -0.774 57.497 58.200 0.117 0.000 0.998 2054 S CB 0.676 63.927 63.200 0.086 0.000 0.953 2054 S HN 0.233 nan 8.310 nan 0.000 0.547 2055 F N 1.915 121.867 119.950 0.004 0.000 2.543 2055 F HA 0.186 4.714 4.527 0.001 0.000 0.375 2055 F C 1.275 177.059 175.800 -0.026 0.000 1.075 2055 F CA 0.202 58.192 58.000 -0.017 0.000 1.225 2055 F CB 0.359 39.353 39.000 -0.010 0.000 1.099 2055 F HN 0.552 nan 8.300 nan 0.000 0.561 2056 R N 3.180 123.200 120.500 -0.799 0.000 2.164 2056 R HA 0.467 4.807 4.340 0.001 0.000 0.198 2056 R C 0.604 176.304 176.300 -1.001 0.000 1.028 2056 R CA 0.204 55.896 56.100 -0.679 0.000 1.083 2056 R CB 0.256 30.337 30.300 -0.365 0.000 1.026 2056 R HN 0.903 nan 8.270 nan 0.000 0.514 2057 G N -0.491 107.484 108.800 -1.374 0.000 2.340 2057 G HA2 -0.093 3.868 3.960 0.001 0.000 0.282 2057 G HA3 -0.093 3.868 3.960 0.001 0.000 0.282 2057 G C -1.174 173.448 174.900 -0.462 0.000 1.312 2057 G CA -0.847 43.750 45.100 -0.839 0.000 0.942 2057 G HN 0.311 nan 8.290 nan 0.000 0.495 2058 H N 0.385 119.477 119.070 0.036 0.000 2.505 2058 H HA 0.520 5.076 4.556 0.001 0.000 0.286 2058 H C 1.154 176.542 175.328 0.100 0.000 1.072 2058 H CA 1.095 57.140 56.048 -0.005 0.000 1.141 2058 H CB 0.490 30.076 29.762 -0.292 0.000 1.550 2058 H HN 1.808 nan 8.280 nan 0.000 0.547 2059 G N 0.160 109.098 108.800 0.229 0.000 2.699 2059 G HA2 -0.245 3.715 3.960 0.001 0.000 0.686 2059 G HA3 -0.245 3.715 3.960 0.001 0.000 0.686 2059 G C 0.277 175.342 174.900 0.275 0.000 1.301 2059 G CA -0.257 44.994 45.100 0.252 0.000 0.816 2059 G HN 0.231 nan 8.290 nan 0.000 0.595 2060 L N 0.346 121.628 121.223 0.099 0.000 2.056 2060 L HA 0.123 4.464 4.340 0.001 0.000 0.207 2060 L C 2.578 179.350 176.870 -0.163 0.000 1.078 2060 L CA 3.006 57.627 54.840 -0.364 0.000 0.749 2060 L CB -0.783 40.982 42.059 -0.490 0.000 0.901 2060 L HN 0.798 nan 8.230 nan 0.000 0.433 2061 E N -1.501 118.705 120.200 0.010 0.000 2.051 2061 E HA -0.296 4.055 4.350 0.001 0.000 0.192 2061 E C 2.129 178.777 176.600 0.081 0.000 0.991 2061 E CA 1.740 58.163 56.400 0.038 0.000 0.799 2061 E CB -0.443 29.303 29.700 0.076 0.000 0.748 2061 E HN 0.608 nan 8.360 nan 0.000 0.449 2062 Y N 1.204 121.534 120.300 0.050 0.000 2.224 2062 Y HA -0.158 4.393 4.550 0.001 0.000 0.289 2062 Y C 2.241 178.190 175.900 0.083 0.000 1.146 2062 Y CA 1.756 59.898 58.100 0.071 0.000 1.182 2062 Y CB -0.481 38.051 38.460 0.119 0.000 0.983 2062 Y HN -0.008 nan 8.280 nan 0.000 0.524 2063 G N -0.632 108.305 108.800 0.230 0.000 2.414 2063 G HA2 -0.225 3.735 3.960 0.001 0.000 0.215 2063 G HA3 -0.225 3.735 3.960 0.001 0.000 0.215 2063 G C 1.674 176.606 174.900 0.055 0.000 1.188 2063 G CA 1.260 46.483 45.100 0.205 0.000 0.783 2063 G HN 0.330 nan 8.290 nan 0.000 0.537 2064 V N 0.915 120.815 119.914 -0.023 0.000 2.490 2064 V HA -0.163 3.958 4.120 0.001 0.000 0.250 2064 V C 2.664 178.725 176.094 -0.055 0.000 1.061 2064 V CA 2.219 64.494 62.300 -0.041 0.000 1.064 2064 V CB -0.356 31.416 31.823 -0.085 0.000 0.670 2064 V HN 0.444 nan 8.190 nan 0.000 0.461 2065 K N 0.391 120.734 120.400 -0.096 0.000 2.002 2065 K HA -0.170 4.151 4.320 0.001 0.000 0.209 2065 K C 2.231 178.729 176.600 -0.170 0.000 1.048 2065 K CA 1.607 57.813 56.287 -0.136 0.000 0.930 2065 K CB -0.345 32.048 32.500 -0.179 0.000 0.714 2065 K HN 0.410 nan 8.250 nan 0.000 0.438 2066 A N 1.300 123.976 122.820 -0.239 0.000 1.933 2066 A HA -0.109 4.212 4.320 0.001 0.000 0.218 2066 A C 2.124 179.653 177.584 -0.091 0.000 1.175 2066 A CA 1.250 53.168 52.037 -0.199 0.000 0.628 2066 A CB -0.582 18.287 19.000 -0.218 0.000 0.814 2066 A HN 0.337 nan 8.150 nan 0.000 0.444 2067 L N -1.418 119.791 121.223 -0.025 0.000 2.141 2067 L HA -0.128 4.212 4.340 0.001 0.000 0.209 2067 L C 2.798 179.649 176.870 -0.032 0.000 1.094 2067 L CA 1.258 56.108 54.840 0.018 0.000 0.763 2067 L CB -0.433 41.685 42.059 0.098 0.000 0.908 2067 L HN 0.391 nan 8.230 nan 0.000 0.437 2068 R N 0.393 120.864 120.500 -0.048 0.000 2.096 2068 R HA -0.207 4.133 4.340 0.001 0.000 0.235 2068 R C 2.329 178.577 176.300 -0.086 0.000 1.127 2068 R CA 1.393 57.460 56.100 -0.055 0.000 0.968 2068 R CB -0.001 30.265 30.300 -0.057 0.000 0.861 2068 R HN 0.039 nan 8.270 nan 0.000 0.440 2069 K N 0.181 120.514 120.400 -0.112 0.000 2.097 2069 K HA -0.082 4.238 4.320 0.001 0.000 0.206 2069 K C 1.722 178.215 176.600 -0.179 0.000 1.049 2069 K CA 1.320 57.520 56.287 -0.145 0.000 0.933 2069 K CB -0.284 32.128 32.500 -0.146 0.000 0.717 2069 K HN -0.007 nan 8.250 nan 0.000 0.442 2070 V N 1.148 120.966 119.914 -0.161 0.000 2.307 2070 V HA -0.215 3.906 4.120 0.001 0.000 0.245 2070 V C 2.461 178.506 176.094 -0.082 0.000 1.045 2070 V CA 2.153 64.360 62.300 -0.155 0.000 1.024 2070 V CB -0.506 31.061 31.823 -0.428 0.000 0.651 2070 V HN 0.457 nan 8.190 nan 0.000 0.449 2071 K N 0.189 120.544 120.400 -0.075 0.000 2.057 2071 K HA -0.223 4.097 4.320 0.001 0.000 0.207 2071 K C 2.057 178.626 176.600 -0.052 0.000 1.049 2071 K CA 1.950 58.221 56.287 -0.027 0.000 0.931 2071 K CB -0.127 32.368 32.500 -0.009 0.000 0.714 2071 K HN 0.591 nan 8.250 nan 0.000 0.440 2072 E N 0.195 120.337 120.200 -0.096 0.000 2.072 2072 E HA -0.187 4.164 4.350 0.001 0.000 0.190 2072 E C 1.917 178.407 176.600 -0.184 0.000 0.982 2072 E CA 1.098 57.429 56.400 -0.114 0.000 0.803 2072 E CB 0.059 29.692 29.700 -0.113 0.000 0.755 2072 E HN 0.425 nan 8.360 nan 0.000 0.453 2073 E N -0.643 119.365 120.200 -0.319 0.000 2.299 2073 E HA -0.079 4.272 4.350 0.001 0.000 0.193 2073 E C 0.647 176.811 176.600 -0.727 0.000 0.998 2073 E CA 0.596 56.646 56.400 -0.583 0.000 0.851 2073 E CB 0.295 29.483 29.700 -0.853 0.000 0.795 2073 E HN 0.160 nan 8.360 nan 0.000 0.492 2074 F N -1.402 118.491 119.950 -0.094 0.000 2.817 2074 F HA 0.349 4.877 4.527 0.001 0.000 0.333 2074 F C 1.172 176.938 175.800 -0.057 0.000 1.085 2074 F CA 0.290 58.239 58.000 -0.084 0.000 1.170 2074 F CB 1.151 40.082 39.000 -0.115 0.000 1.066 2074 F HN 0.028 nan 8.300 nan 0.000 0.564 2075 G N 1.995 110.844 108.800 0.083 0.000 2.249 2075 G HA2 -0.297 3.663 3.960 0.001 0.000 0.273 2075 G HA3 -0.297 3.663 3.960 0.001 0.000 0.273 2075 G C -0.096 174.854 174.900 0.084 0.000 1.036 2075 G CA 0.067 45.203 45.100 0.061 0.000 0.824 2075 G HN 0.294 nan 8.290 nan 0.000 0.504 2076 L N -0.488 120.795 121.223 0.100 0.000 2.343 2076 L HA 0.467 4.808 4.340 0.001 0.000 0.275 2076 L C 1.100 178.035 176.870 0.108 0.000 1.056 2076 L CA -0.971 53.936 54.840 0.112 0.000 0.804 2076 L CB 1.173 43.303 42.059 0.119 0.000 1.203 2076 L HN 0.034 nan 8.230 nan 0.000 0.440 2077 K N 2.300 122.773 120.400 0.122 0.000 2.276 2077 K HA 0.397 4.717 4.320 0.001 0.000 0.259 2077 K C -0.666 176.016 176.600 0.137 0.000 1.001 2077 K CA -0.344 56.007 56.287 0.106 0.000 0.927 2077 K CB 0.853 33.408 32.500 0.091 0.000 0.969 2077 K HN 0.293 nan 8.250 nan 0.000 0.490 2078 I N 0.696 121.336 120.570 0.116 0.000 2.740 2078 I HA 0.301 4.472 4.170 0.001 0.000 0.303 2078 I C 0.032 176.211 176.117 0.104 0.000 1.044 2078 I CA -0.415 60.975 61.300 0.150 0.000 1.064 2078 I CB 1.900 39.982 38.000 0.137 0.000 1.249 2078 I HN 0.574 nan 8.210 nan 0.000 0.433 2079 T N 2.594 117.213 114.554 0.108 0.000 3.041 2079 T HA 0.593 4.943 4.350 0.001 0.000 0.321 2079 T C -1.070 173.679 174.700 0.081 0.000 1.184 2079 T CA -0.211 61.927 62.100 0.064 0.000 1.050 2079 T CB 1.539 70.416 68.868 0.015 0.000 1.159 2079 T HN 0.868 nan 8.240 nan 0.000 0.469 2080 T N 2.410 117.012 114.554 0.079 0.000 2.821 2080 T HA 0.576 4.926 4.350 0.001 0.000 0.306 2080 T C -1.980 172.731 174.700 0.018 0.000 1.313 2080 T CA -0.700 61.453 62.100 0.088 0.000 1.012 2080 T CB 1.507 70.503 68.868 0.213 0.000 1.298 2080 T HN 0.795 nan 8.240 nan 0.000 0.502 2081 D N 2.429 122.776 120.400 -0.089 0.000 2.229 2081 D HA 0.529 5.169 4.640 0.001 0.000 0.249 2081 D C 0.300 176.327 176.300 -0.456 0.000 1.027 2081 D CA -0.655 53.201 54.000 -0.240 0.000 0.923 2081 D CB 1.097 41.734 40.800 -0.270 0.000 1.174 2081 D HN 0.780 nan 8.370 nan 0.000 0.443 2082 I N -2.542 117.743 120.570 -0.475 0.000 2.750 2082 I HA 0.493 4.663 4.170 0.001 0.000 0.308 2082 I C -0.369 175.272 176.117 -0.794 0.000 1.016 2082 I CA -0.957 60.039 61.300 -0.506 0.000 1.098 2082 I CB 1.854 39.730 38.000 -0.207 0.000 1.279 2082 I HN 0.327 nan 8.210 nan 0.000 0.454 2083 H N 0.163 119.179 119.070 -0.090 0.000 3.457 2083 H HA 0.444 5.001 4.556 0.001 0.000 0.255 2083 H C -0.566 174.738 175.328 -0.041 0.000 1.082 2083 H CA -0.244 55.766 56.048 -0.064 0.000 1.189 2083 H CB 0.792 30.520 29.762 -0.057 0.000 1.511 2083 H HN 0.587 nan 8.280 nan 0.000 0.527 2084 E N -0.270 119.903 120.200 -0.044 0.000 2.383 2084 E HA 0.279 4.629 4.350 0.001 0.000 0.275 2084 E C 0.054 176.566 176.600 -0.148 0.000 0.918 2084 E CA -0.312 56.073 56.400 -0.024 0.000 0.764 2084 E CB 2.491 32.273 29.700 0.137 0.000 1.252 2084 E HN -0.027 nan 8.360 nan 0.000 0.449 2085 S N 1.493 117.199 115.700 0.010 0.000 2.372 2085 S HA -0.188 4.283 4.470 0.001 0.000 0.227 2085 S C 1.611 176.228 174.600 0.028 0.000 1.044 2085 S CA 1.925 60.142 58.200 0.029 0.000 1.050 2085 S CB -0.304 62.956 63.200 0.099 0.000 0.901 2085 S HN 0.743 nan 8.310 nan 0.000 0.447 2086 W N 2.000 123.331 121.300 0.051 0.000 2.387 2086 W HA -0.123 4.537 4.660 0.001 0.000 0.272 2086 W C 1.245 177.789 176.519 0.042 0.000 1.224 2086 W CA 0.914 58.284 57.345 0.042 0.000 1.210 2086 W CB -0.926 28.557 29.460 0.039 0.000 1.125 2086 W HN 0.420 nan 8.180 nan 0.000 0.572 2087 Q N 0.906 120.270 119.800 -0.727 0.000 2.369 2087 Q HA 0.005 4.346 4.340 0.001 0.000 0.206 2087 Q C 2.687 178.536 176.000 -0.252 0.000 0.963 2087 Q CA 1.258 56.648 55.803 -0.688 0.000 0.894 2087 Q CB -0.337 27.926 28.738 -0.792 0.000 0.965 2087 Q HN 0.322 nan 8.270 nan 0.000 0.475 2088 A N 1.915 124.646 122.820 -0.147 0.000 1.873 2088 A HA -0.305 4.015 4.320 0.001 0.000 0.218 2088 A C 1.988 179.554 177.584 -0.029 0.000 1.193 2088 A CA 1.835 53.834 52.037 -0.064 0.000 0.629 2088 A CB -0.607 18.375 19.000 -0.030 0.000 0.826 2088 A HN 0.441 nan 8.150 nan 0.000 0.447 2089 E N -0.438 119.762 120.200 0.001 0.000 2.038 2089 E HA -0.166 4.184 4.350 0.001 0.000 0.195 2089 E C -0.489 176.116 176.600 0.008 0.000 1.000 2089 E CA 1.566 57.977 56.400 0.019 0.000 0.803 2089 E CB -0.617 29.111 29.700 0.047 0.000 0.750 2089 E HN 0.507 nan 8.360 nan 0.000 0.448 2090 P HA -0.109 nan 4.420 nan 0.000 0.218 2090 P C 1.595 178.866 177.300 -0.049 0.000 1.149 2090 P CA 0.979 64.073 63.100 -0.010 0.000 0.817 2090 P CB 0.035 31.741 31.700 0.011 0.000 0.785 2091 V N 0.854 120.724 119.914 -0.073 0.000 2.548 2091 V HA -0.140 3.981 4.120 0.001 0.000 0.249 2091 V C 2.772 178.860 176.094 -0.010 0.000 1.055 2091 V CA 1.866 64.133 62.300 -0.056 0.000 1.065 2091 V CB -1.580 30.226 31.823 -0.028 0.000 0.681 2091 V HN 0.091 nan 8.190 nan 0.000 0.462 2092 A N -0.349 122.467 122.820 -0.006 0.000 2.125 2092 A HA -0.167 4.154 4.320 0.001 0.000 0.219 2092 A C 2.062 179.652 177.584 0.010 0.000 1.156 2092 A CA 1.226 53.268 52.037 0.008 0.000 0.671 2092 A CB -0.321 18.685 19.000 0.009 0.000 0.794 2092 A HN 0.553 nan 8.150 nan 0.000 0.459 2093 E N -0.352 119.850 120.200 0.002 0.000 2.204 2093 E HA -0.107 4.243 4.350 0.001 0.000 0.195 2093 E C 1.623 178.226 176.600 0.006 0.000 0.990 2093 E CA 1.567 57.968 56.400 0.002 0.000 0.821 2093 E CB -0.177 29.520 29.700 -0.004 0.000 0.750 2093 E HN 0.506 nan 8.360 nan 0.000 0.477 2094 V N -0.245 119.675 119.914 0.010 0.000 3.371 2094 V HA 0.237 4.357 4.120 0.001 0.000 0.246 2094 V C 0.813 176.930 176.094 0.038 0.000 1.303 2094 V CA 0.381 62.693 62.300 0.019 0.000 1.156 2094 V CB 0.352 32.184 31.823 0.015 0.000 0.929 2094 V HN 0.074 nan 8.190 nan 0.000 0.459 2095 A N 0.826 123.671 122.820 0.043 0.000 2.451 2095 A HA 0.194 4.514 4.320 0.001 0.000 0.266 2095 A C 0.932 178.545 177.584 0.047 0.000 1.119 2095 A CA 0.034 52.105 52.037 0.055 0.000 0.786 2095 A CB -0.114 18.921 19.000 0.058 0.000 1.061 2095 A HN 0.406 nan 8.150 nan 0.000 0.503 2096 D N 1.674 122.105 120.400 0.053 0.000 2.194 2096 D HA 0.040 4.680 4.640 0.001 0.000 0.204 2096 D C 0.157 176.488 176.300 0.053 0.000 0.964 2096 D CA 1.408 55.440 54.000 0.052 0.000 0.846 2096 D CB 0.253 41.087 40.800 0.056 0.000 0.962 2096 D HN 0.578 nan 8.370 nan 0.000 0.490 2097 I N 1.536 122.131 120.570 0.042 0.000 2.478 2097 I HA 0.265 4.435 4.170 0.001 0.000 0.287 2097 I C -0.402 175.731 176.117 0.027 0.000 1.042 2097 I CA -0.592 60.729 61.300 0.035 0.000 1.067 2097 I CB 2.688 40.675 38.000 -0.021 0.000 1.233 2097 I HN -0.300 nan 8.210 nan 0.000 0.431 2098 I N 5.718 126.305 120.570 0.028 0.000 2.342 2098 I HA 0.223 4.393 4.170 0.001 0.000 0.291 2098 I C 0.134 176.244 176.117 -0.012 0.000 1.010 2098 I CA -0.249 61.056 61.300 0.009 0.000 1.308 2098 I CB 1.294 39.296 38.000 0.004 0.000 1.400 2098 I HN 0.590 nan 8.210 nan 0.000 0.488 2099 Q N 6.333 126.110 119.800 -0.039 0.000 2.241 2099 Q HA 0.423 4.764 4.340 0.001 0.000 0.254 2099 Q C -1.132 174.797 176.000 -0.118 0.000 0.917 2099 Q CA -0.739 55.020 55.803 -0.073 0.000 0.919 2099 Q CB 1.478 30.174 28.738 -0.070 0.000 1.237 2099 Q HN 0.475 nan 8.270 nan 0.000 0.434 2100 I N 6.431 126.934 120.570 -0.113 0.000 2.330 2100 I HA 0.341 4.512 4.170 0.001 0.000 0.289 2100 I C -2.186 173.844 176.117 -0.146 0.000 1.001 2100 I CA -2.614 58.616 61.300 -0.116 0.000 1.193 2100 I CB 0.923 38.883 38.000 -0.067 0.000 1.345 2100 I HN 0.506 nan 8.210 nan 0.000 0.461 2101 P HA 0.035 nan 4.420 nan 0.000 0.266 2101 P C 0.650 177.857 177.300 -0.156 0.000 1.193 2101 P CA 0.164 63.160 63.100 -0.175 0.000 0.770 2101 P CB 0.896 32.540 31.700 -0.094 0.000 0.836 2102 A N 2.552 125.208 122.820 -0.272 0.000 1.883 2102 A HA -0.218 4.103 4.320 0.001 0.000 0.217 2102 A C 1.684 179.282 177.584 0.023 0.000 1.186 2102 A CA 1.754 53.646 52.037 -0.241 0.000 0.624 2102 A CB -1.620 17.148 19.000 -0.387 0.000 0.822 2102 A HN 0.508 nan 8.150 nan 0.000 0.444 2103 F N -0.234 119.750 119.950 0.057 0.000 2.333 2103 F HA 0.007 4.534 4.527 0.001 0.000 0.300 2103 F C 1.574 177.489 175.800 0.191 0.000 1.083 2103 F CA 0.416 58.542 58.000 0.210 0.000 1.395 2103 F CB -0.573 38.499 39.000 0.120 0.000 1.056 2103 F HN 0.106 nan 8.300 nan 0.000 0.529 2104 L N -0.450 120.933 121.223 0.266 0.000 2.700 2104 L HA 0.101 4.442 4.340 0.001 0.000 0.234 2104 L C 1.847 178.788 176.870 0.118 0.000 1.156 2104 L CA -0.066 54.874 54.840 0.166 0.000 0.946 2104 L CB -0.685 41.433 42.059 0.099 0.000 1.216 2104 L HN 0.226 nan 8.230 nan 0.000 0.493 2105 C N -1.416 117.966 119.300 0.136 0.000 2.466 2105 C HA 0.041 4.502 4.460 0.001 0.000 0.283 2105 C C 2.136 177.182 174.990 0.094 0.000 1.472 2105 C CA -0.135 58.924 59.018 0.069 0.000 1.765 2105 C CB -0.806 26.932 27.740 -0.003 0.000 1.724 2105 C HN 0.447 nan 8.230 nan 0.000 0.560 2106 R N 0.018 120.605 120.500 0.146 0.000 2.437 2106 R HA 0.171 4.511 4.340 0.001 0.000 0.257 2106 R C 0.094 176.426 176.300 0.054 0.000 0.927 2106 R CA 0.098 56.258 56.100 0.099 0.000 1.078 2106 R CB -0.112 30.262 30.300 0.123 0.000 1.161 2106 R HN 0.583 nan 8.270 nan 0.000 0.529 2107 Q N 1.351 121.185 119.800 0.056 0.000 2.381 2107 Q HA 0.093 4.434 4.340 0.001 0.000 0.243 2107 Q C 0.789 176.808 176.000 0.031 0.000 1.154 2107 Q CA 0.213 56.039 55.803 0.039 0.000 0.899 2107 Q CB 0.818 29.584 28.738 0.047 0.000 1.396 2107 Q HN 0.043 nan 8.270 nan 0.000 0.485 2108 T N 1.471 116.038 114.554 0.022 0.000 2.624 2108 T HA -0.192 4.158 4.350 0.001 0.000 0.268 2108 T C 0.921 175.642 174.700 0.035 0.000 1.041 2108 T CA 1.807 63.919 62.100 0.021 0.000 1.159 2108 T CB 0.071 68.942 68.868 0.005 0.000 0.863 2108 T HN 0.485 nan 8.240 nan 0.000 0.434 2109 D N 0.587 121.010 120.400 0.038 0.000 2.178 2109 D HA -0.017 4.624 4.640 0.001 0.000 0.201 2109 D C 2.014 178.340 176.300 0.043 0.000 0.980 2109 D CA 0.473 54.502 54.000 0.048 0.000 0.842 2109 D CB -0.355 40.477 40.800 0.053 0.000 0.948 2109 D HN 0.200 nan 8.370 nan 0.000 0.472 2110 L N 0.487 121.731 121.223 0.034 0.000 2.072 2110 L HA -0.055 4.286 4.340 0.001 0.000 0.205 2110 L C 2.195 179.072 176.870 0.012 0.000 1.079 2110 L CA 1.176 56.025 54.840 0.016 0.000 0.752 2110 L CB -0.384 41.681 42.059 0.009 0.000 0.906 2110 L HN -0.026 nan 8.230 nan 0.000 0.436 2111 L N -1.400 119.836 121.223 0.022 0.000 2.017 2111 L HA -0.231 4.109 4.340 0.001 0.000 0.208 2111 L C 2.462 179.356 176.870 0.039 0.000 1.073 2111 L CA 1.247 56.102 54.840 0.025 0.000 0.745 2111 L CB -0.580 41.497 42.059 0.029 0.000 0.894 2111 L HN 0.268 nan 8.230 nan 0.000 0.432 2112 L N -0.484 120.772 121.223 0.055 0.000 2.056 2112 L HA -0.180 4.160 4.340 0.001 0.000 0.207 2112 L C 2.891 179.790 176.870 0.048 0.000 1.078 2112 L CA 1.081 55.964 54.840 0.071 0.000 0.749 2112 L CB -0.752 41.365 42.059 0.097 0.000 0.901 2112 L HN 0.245 nan 8.230 nan 0.000 0.433 2113 A N 0.129 122.972 122.820 0.040 0.000 1.902 2113 A HA -0.178 4.143 4.320 0.001 0.000 0.217 2113 A C 2.527 180.121 177.584 0.017 0.000 1.181 2113 A CA 1.811 53.866 52.037 0.030 0.000 0.623 2113 A CB -0.650 18.366 19.000 0.026 0.000 0.818 2113 A HN 0.406 nan 8.150 nan 0.000 0.443 2114 A N -0.237 122.590 122.820 0.011 0.000 1.898 2114 A HA 0.216 4.537 4.320 0.001 0.000 0.216 2114 A C 2.505 180.099 177.584 0.017 0.000 1.181 2114 A CA 1.936 53.977 52.037 0.006 0.000 0.620 2114 A CB -1.009 17.991 19.000 -0.000 0.000 0.819 2114 A HN 1.053 nan 8.150 nan 0.000 0.442 2115 A N -0.071 122.764 122.820 0.024 0.000 1.933 2115 A HA -0.185 4.136 4.320 0.001 0.000 0.218 2115 A C 2.115 179.708 177.584 0.015 0.000 1.175 2115 A CA 2.004 54.056 52.037 0.024 0.000 0.628 2115 A CB -0.471 18.549 19.000 0.033 0.000 0.814 2115 A HN 0.560 nan 8.150 nan 0.000 0.444 2116 K N -0.027 120.382 120.400 0.015 0.000 2.209 2116 K HA -0.158 4.163 4.320 0.001 0.000 0.204 2116 K C 1.933 178.538 176.600 0.009 0.000 1.048 2116 K CA 1.865 58.157 56.287 0.008 0.000 0.940 2116 K CB -0.354 32.155 32.500 0.015 0.000 0.729 2116 K HN 0.632 nan 8.250 nan 0.000 0.451 2117 T N -3.126 111.436 114.554 0.013 0.000 3.007 2117 T HA 0.023 4.374 4.350 0.001 0.000 0.270 2117 T C 1.487 176.196 174.700 0.014 0.000 1.107 2117 T CA 1.138 63.246 62.100 0.014 0.000 1.118 2117 T CB -0.307 68.569 68.868 0.014 0.000 0.889 2117 T HN 0.453 nan 8.240 nan 0.000 0.506 2118 G N 1.195 110.004 108.800 0.014 0.000 2.199 2118 G HA2 -0.235 3.725 3.960 0.001 0.000 0.254 2118 G HA3 -0.235 3.725 3.960 0.001 0.000 0.254 2118 G C 0.364 175.278 174.900 0.024 0.000 0.982 2118 G CA -0.006 45.103 45.100 0.015 0.000 0.632 2118 G HN 0.637 nan 8.290 nan 0.000 0.529 2119 R N 0.690 121.208 120.500 0.029 0.000 2.580 2119 R HA 0.720 5.060 4.340 0.001 0.000 0.267 2119 R C 0.889 177.222 176.300 0.056 0.000 1.125 2119 R CA 0.234 56.359 56.100 0.041 0.000 1.188 2119 R CB 0.036 30.359 30.300 0.039 0.000 1.155 2119 R HN 0.688 nan 8.270 nan 0.000 0.586 2120 A N 0.647 123.517 122.820 0.083 0.000 2.351 2120 A HA 0.435 4.756 4.320 0.001 0.000 0.257 2120 A C -0.357 177.301 177.584 0.123 0.000 1.087 2120 A CA -0.387 51.727 52.037 0.130 0.000 0.798 2120 A CB 0.619 19.753 19.000 0.224 0.000 1.033 2120 A HN 0.322 nan 8.150 nan 0.000 0.488 2121 V N 2.297 122.300 119.914 0.149 0.000 2.588 2121 V HA 0.365 4.485 4.120 0.001 0.000 0.304 2121 V C -0.121 176.078 176.094 0.175 0.000 1.042 2121 V CA -0.743 61.624 62.300 0.112 0.000 0.877 2121 V CB 1.699 33.561 31.823 0.064 0.000 0.996 2121 V HN 0.974 nan 8.190 nan 0.000 0.425 2122 N N 3.366 122.128 118.700 0.104 0.000 2.479 2122 N HA 0.565 5.305 4.740 0.001 0.000 0.261 2122 N C -1.387 174.120 175.510 -0.004 0.000 0.979 2122 N CA -0.386 52.716 53.050 0.085 0.000 0.930 2122 N CB 1.802 40.272 38.487 -0.028 0.000 1.172 2122 N HN 0.448 nan 8.380 nan 0.000 0.499 2123 V N 3.823 123.736 119.914 -0.001 0.000 2.394 2123 V HA 0.274 4.395 4.120 0.001 0.000 0.282 2123 V C 0.197 176.223 176.094 -0.114 0.000 1.031 2123 V CA -0.779 61.487 62.300 -0.056 0.000 0.881 2123 V CB 1.208 33.014 31.823 -0.029 0.000 0.982 2123 V HN 0.573 nan 8.190 nan 0.000 0.451 2124 K N 3.815 124.104 120.400 -0.184 0.000 2.339 2124 K HA 0.180 4.501 4.320 0.001 0.000 0.286 2124 K C 0.080 176.541 176.600 -0.232 0.000 1.050 2124 K CA -0.204 55.925 56.287 -0.264 0.000 0.956 2124 K CB 0.754 33.041 32.500 -0.356 0.000 0.990 2124 K HN 0.632 nan 8.250 nan 0.000 0.475 2125 K N 1.736 121.997 120.400 -0.232 0.000 2.412 2125 K HA 0.082 4.402 4.320 0.001 0.000 0.284 2125 K C 0.325 176.708 176.600 -0.362 0.000 1.046 2125 K CA -0.107 56.031 56.287 -0.249 0.000 0.999 2125 K CB 0.396 32.771 32.500 -0.209 0.000 0.941 2125 K HN 0.693 nan 8.250 nan 0.000 0.474 2126 G N 3.191 111.677 108.800 -0.523 0.000 2.474 2126 G HA2 -0.100 3.860 3.960 0.001 0.000 0.233 2126 G HA3 -0.100 3.860 3.960 0.001 0.000 0.233 2126 G C 0.156 174.582 174.900 -0.790 0.000 1.278 2126 G CA -0.401 44.148 45.100 -0.919 0.000 0.861 2126 G HN 0.813 nan 8.290 nan 0.000 0.567 2127 Q N 0.602 120.116 119.800 -0.478 0.000 2.437 2127 Q HA -0.022 4.319 4.340 0.001 0.000 0.210 2127 Q C 1.617 177.543 176.000 -0.124 0.000 0.972 2127 Q CA 1.239 56.931 55.803 -0.185 0.000 0.903 2127 Q CB -0.153 28.614 28.738 0.048 0.000 0.967 2127 Q HN 0.815 nan 8.270 nan 0.000 0.486 2128 F N -2.881 117.082 119.950 0.022 0.000 2.721 2128 F HA 0.347 4.874 4.527 0.001 0.000 0.301 2128 F C 0.257 176.035 175.800 -0.036 0.000 1.096 2128 F CA -0.873 57.127 58.000 0.001 0.000 1.308 2128 F CB 0.007 39.013 39.000 0.011 0.000 1.086 2128 F HN -0.120 nan 8.300 nan 0.000 0.587 2129 L N 1.949 122.979 121.223 -0.321 0.000 2.312 2129 L HA 0.727 5.068 4.340 0.001 0.000 0.281 2129 L C 0.253 176.970 176.870 -0.255 0.000 1.070 2129 L CA -1.083 53.638 54.840 -0.198 0.000 0.805 2129 L CB 1.014 42.889 42.059 -0.307 0.000 1.174 2129 L HN 0.219 nan 8.230 nan 0.000 0.434 2130 A N 5.848 128.479 122.820 -0.315 0.000 2.322 2130 A HA 0.548 4.868 4.320 0.001 0.000 0.269 2130 A C -1.839 175.321 177.584 -0.707 0.000 1.094 2130 A CA -1.090 50.544 52.037 -0.672 0.000 0.807 2130 A CB -0.063 18.354 19.000 -0.973 0.000 1.047 2130 A HN 0.749 nan 8.150 nan 0.000 0.487 2131 P HA -0.176 nan 4.420 nan 0.000 0.215 2131 P C 0.976 178.275 177.300 -0.001 0.000 1.157 2131 P CA 2.074 64.983 63.100 -0.319 0.000 0.874 2131 P CB -0.139 31.423 31.700 -0.230 0.000 0.790 2132 W N -0.452 120.992 121.300 0.239 0.000 2.525 2132 W HA 0.007 4.667 4.660 0.001 0.000 0.259 2132 W C 0.808 177.375 176.519 0.079 0.000 1.253 2132 W CA 0.603 58.141 57.345 0.323 0.000 1.262 2132 W CB -1.768 27.826 29.460 0.224 0.000 1.122 2132 W HN -0.100 nan 8.180 nan 0.000 0.607 2133 D N 0.804 121.205 120.400 0.000 0.000 2.349 2133 D HA -0.066 4.574 4.640 0.001 0.000 0.224 2133 D C 1.893 178.131 176.300 -0.103 0.000 1.029 2133 D CA 1.568 55.555 54.000 -0.022 0.000 0.879 2133 D CB -0.155 40.631 40.800 -0.022 0.000 0.906 2133 D HN 0.375 nan 8.370 nan 0.000 0.528 2134 T N -2.250 112.254 114.554 -0.085 0.000 3.088 2134 T HA -0.011 4.339 4.350 0.001 0.000 0.259 2134 T C 1.731 176.185 174.700 -0.409 0.000 1.122 2134 T CA 0.230 62.275 62.100 -0.093 0.000 1.095 2134 T CB 0.327 69.281 68.868 0.142 0.000 0.930 2134 T HN 0.020 nan 8.240 nan 0.000 0.508 2135 K N 1.661 121.517 120.400 -0.906 0.000 2.063 2135 K HA -0.128 4.192 4.320 0.001 0.000 0.208 2135 K C 2.068 178.313 176.600 -0.591 0.000 1.048 2135 K CA 1.701 57.152 56.287 -1.394 0.000 0.928 2135 K CB -0.343 31.224 32.500 -1.555 0.000 0.713 2135 K HN 0.494 nan 8.250 nan 0.000 0.442 2136 N N -0.284 118.198 118.700 -0.363 0.000 2.309 2136 N HA -0.124 4.617 4.740 0.001 0.000 0.182 2136 N C 1.634 177.056 175.510 -0.145 0.000 1.018 2136 N CA 0.758 53.687 53.050 -0.202 0.000 0.876 2136 N CB 0.177 38.584 38.487 -0.133 0.000 0.972 2136 N HN -0.024 nan 8.380 nan 0.000 0.434 2137 V N 0.588 120.417 119.914 -0.142 0.000 2.358 2137 V HA -0.177 3.944 4.120 0.001 0.000 0.246 2137 V C 2.215 178.273 176.094 -0.059 0.000 1.047 2137 V CA 1.262 63.517 62.300 -0.074 0.000 1.035 2137 V CB -0.356 31.435 31.823 -0.053 0.000 0.658 2137 V HN 0.131 nan 8.190 nan 0.000 0.452 2138 V N 0.064 119.923 119.914 -0.093 0.000 2.343 2138 V HA -0.303 3.818 4.120 0.001 0.000 0.247 2138 V C 2.465 178.545 176.094 -0.024 0.000 1.051 2138 V CA 2.349 64.626 62.300 -0.038 0.000 1.036 2138 V CB -0.629 31.177 31.823 -0.028 0.000 0.654 2138 V HN 0.691 nan 8.190 nan 0.000 0.451 2139 E N 0.229 120.391 120.200 -0.064 0.000 2.118 2139 E HA -0.273 4.077 4.350 0.001 0.000 0.195 2139 E C 2.233 178.852 176.600 0.032 0.000 0.992 2139 E CA 1.436 57.823 56.400 -0.022 0.000 0.804 2139 E CB -0.037 29.623 29.700 -0.067 0.000 0.741 2139 E HN 0.590 nan 8.360 nan 0.000 0.458 2140 K N 0.119 120.523 120.400 0.007 0.000 2.026 2140 K HA -0.116 4.204 4.320 0.001 0.000 0.208 2140 K C 2.303 178.975 176.600 0.119 0.000 1.048 2140 K CA 1.265 57.580 56.287 0.047 0.000 0.929 2140 K CB -0.119 32.386 32.500 0.010 0.000 0.713 2140 K HN 0.208 nan 8.250 nan 0.000 0.439 2141 L N 1.133 122.398 121.223 0.071 0.000 2.046 2141 L HA -0.197 4.143 4.340 0.001 0.000 0.208 2141 L C 2.329 179.244 176.870 0.074 0.000 1.077 2141 L CA 1.355 56.236 54.840 0.068 0.000 0.747 2141 L CB -0.323 41.761 42.059 0.042 0.000 0.896 2141 L HN 0.140 nan 8.230 nan 0.000 0.432 2142 K N -0.447 119.999 120.400 0.077 0.000 2.057 2142 K HA -0.204 4.116 4.320 0.001 0.000 0.207 2142 K C 2.085 178.738 176.600 0.088 0.000 1.049 2142 K CA 1.541 57.868 56.287 0.068 0.000 0.931 2142 K CB -0.299 32.240 32.500 0.065 0.000 0.714 2142 K HN 0.111 nan 8.250 nan 0.000 0.440 2143 F N 1.255 121.201 119.950 -0.007 0.000 2.216 2143 F HA -0.090 4.438 4.527 0.001 0.000 0.300 2143 F C 1.822 177.622 175.800 -0.001 0.000 1.085 2143 F CA 1.497 59.494 58.000 -0.004 0.000 1.326 2143 F CB -0.250 38.745 39.000 -0.008 0.000 1.027 2143 F HN -0.024 nan 8.300 nan 0.000 0.497 2144 G N -1.054 107.805 108.800 0.099 0.000 2.813 2144 G HA2 0.264 4.225 3.960 0.001 0.000 0.209 2144 G HA3 0.264 4.225 3.960 0.001 0.000 0.209 2144 G C 1.367 176.237 174.900 -0.049 0.000 1.150 2144 G CA 0.408 45.518 45.100 0.016 0.000 0.785 2144 G HN 0.933 nan 8.290 nan 0.000 0.535 2145 G N -1.420 107.348 108.800 -0.053 0.000 2.179 2145 G HA2 0.140 4.100 3.960 0.001 0.000 0.220 2145 G HA3 0.140 4.100 3.960 0.001 0.000 0.220 2145 G C 0.533 175.425 174.900 -0.014 0.000 0.990 2145 G CA 0.164 45.235 45.100 -0.047 0.000 0.646 2145 G HN 1.278 nan 8.290 nan 0.000 0.517 2146 A N 0.047 122.870 122.820 0.005 0.000 2.462 2146 A HA 0.689 5.010 4.320 0.001 0.000 0.243 2146 A C 1.136 178.724 177.584 0.007 0.000 1.076 2146 A CA 1.167 53.212 52.037 0.013 0.000 0.773 2146 A CB 0.388 19.403 19.000 0.025 0.000 1.010 2146 A HN 0.383 nan 8.150 nan 0.000 0.493 2147 K N 0.487 120.889 120.400 0.003 0.000 2.424 2147 K HA 0.113 4.434 4.320 0.001 0.000 0.198 2147 K C 0.171 176.755 176.600 -0.027 0.000 1.190 2147 K CA 0.229 56.513 56.287 -0.006 0.000 0.935 2147 K CB 0.682 33.181 32.500 -0.003 0.000 1.087 2147 K HN 0.805 nan 8.250 nan 0.000 0.524 2148 E N 2.024 122.209 120.200 -0.024 0.000 2.073 2148 E HA 0.315 4.666 4.350 0.001 0.000 0.269 2148 E C -1.258 175.281 176.600 -0.100 0.000 0.917 2148 E CA -0.257 56.094 56.400 -0.082 0.000 0.757 2148 E CB 0.635 30.336 29.700 0.002 0.000 1.111 2148 E HN 0.077 nan 8.360 nan 0.000 0.410 2149 I N 4.516 124.953 120.570 -0.222 0.000 2.465 2149 I HA 0.345 4.516 4.170 0.001 0.000 0.291 2149 I C -1.110 174.837 176.117 -0.283 0.000 1.014 2149 I CA -0.875 60.346 61.300 -0.133 0.000 1.093 2149 I CB 1.209 39.187 38.000 -0.037 0.000 1.267 2149 I HN 0.488 nan 8.210 nan 0.000 0.431 2150 Y N 5.553 125.859 120.300 0.010 0.000 2.524 2150 Y HA 0.685 5.236 4.550 0.001 0.000 0.344 2150 Y C -0.477 175.418 175.900 -0.008 0.000 1.012 2150 Y CA -0.862 57.236 58.100 -0.003 0.000 1.068 2150 Y CB 1.896 40.343 38.460 -0.022 0.000 1.249 2150 Y HN 0.266 nan 8.280 nan 0.000 0.468 2151 L N 2.211 123.525 121.223 0.151 0.000 2.356 2151 L HA 0.571 4.912 4.340 0.001 0.000 0.277 2151 L C -0.764 176.116 176.870 0.017 0.000 0.996 2151 L CA -0.567 54.313 54.840 0.067 0.000 0.822 2151 L CB 2.192 44.304 42.059 0.088 0.000 1.256 2151 L HN 0.640 nan 8.230 nan 0.000 0.413 2152 T N 1.242 115.755 114.554 -0.067 0.000 2.770 2152 T HA 0.221 4.571 4.350 0.001 0.000 0.283 2152 T C -0.337 174.260 174.700 -0.171 0.000 0.988 2152 T CA -0.426 61.591 62.100 -0.138 0.000 0.957 2152 T CB 1.509 70.217 68.868 -0.267 0.000 0.930 2152 T HN 0.407 nan 8.240 nan 0.000 0.443 2153 E N 2.785 122.912 120.200 -0.121 0.000 2.257 2153 E HA 0.255 4.606 4.350 0.001 0.000 0.278 2153 E C 0.499 176.976 176.600 -0.204 0.000 1.049 2153 E CA -0.461 55.867 56.400 -0.119 0.000 0.876 2153 E CB 0.427 30.124 29.700 -0.006 0.000 1.035 2153 E HN 0.617 nan 8.360 nan 0.000 0.419 2154 R N 3.055 123.419 120.500 -0.227 0.000 2.592 2154 R HA 0.492 4.832 4.340 0.001 0.000 0.439 2154 R C 0.143 176.344 176.300 -0.165 0.000 0.995 2154 R CA -0.190 55.762 56.100 -0.246 0.000 1.141 2154 R CB 0.084 30.189 30.300 -0.325 0.000 1.495 2154 R HN 0.639 nan 8.270 nan 0.000 0.579 2155 G N -0.014 108.697 108.800 -0.148 0.000 2.663 2155 G HA2 -0.023 3.938 3.960 0.001 0.000 0.686 2155 G HA3 -0.023 3.938 3.960 0.001 0.000 0.686 2155 G C -0.880 173.950 174.900 -0.115 0.000 1.246 2155 G CA -0.457 44.573 45.100 -0.116 0.000 0.795 2155 G HN 0.185 nan 8.290 nan 0.000 0.627 2156 T N 0.935 115.440 114.554 -0.082 0.000 2.876 2156 T HA 0.652 5.002 4.350 0.001 0.000 0.289 2156 T C 0.441 175.164 174.700 0.039 0.000 1.014 2156 T CA -0.053 62.015 62.100 -0.052 0.000 0.986 2156 T CB 1.701 70.524 68.868 -0.075 0.000 1.021 2156 T HN 0.879 nan 8.240 nan 0.000 0.458 2157 T N 2.998 117.593 114.554 0.069 0.000 2.822 2157 T HA 0.143 4.493 4.350 0.001 0.000 0.288 2157 T C -0.711 174.092 174.700 0.170 0.000 0.991 2157 T CA 0.523 62.694 62.100 0.119 0.000 1.176 2157 T CB -0.460 68.478 68.868 0.115 0.000 0.951 2157 T HN 0.423 nan 8.240 nan 0.000 0.526 2158 F N 4.073 124.015 119.950 -0.013 0.000 2.691 2158 F HA 0.524 5.051 4.527 0.001 0.000 0.371 2158 F C 0.712 176.480 175.800 -0.054 0.000 1.159 2158 F CA 0.073 58.052 58.000 -0.035 0.000 1.174 2158 F CB -0.139 38.843 39.000 -0.029 0.000 1.419 2158 F HN 0.922 nan 8.300 nan 0.000 0.514 2159 G N 2.844 111.416 108.800 -0.380 0.000 2.598 2159 G HA2 -0.290 3.671 3.960 0.001 0.000 0.244 2159 G HA3 -0.290 3.671 3.960 0.001 0.000 0.244 2159 G C -1.310 173.426 174.900 -0.273 0.000 1.302 2159 G CA -0.342 44.471 45.100 -0.478 0.000 0.903 2159 G HN 0.502 nan 8.290 nan 0.000 0.575 2160 Y N 1.612 121.879 120.300 -0.054 0.000 2.310 2160 Y HA 0.478 5.029 4.550 0.001 0.000 0.326 2160 Y C 1.462 177.376 175.900 0.023 0.000 1.151 2160 Y CA -0.499 57.597 58.100 -0.006 0.000 1.195 2160 Y CB 0.964 39.417 38.460 -0.011 0.000 1.210 2160 Y HN 0.646 nan 8.280 nan 0.000 0.483 2161 N N 1.845 120.682 118.700 0.227 0.000 2.721 2161 N HA -0.326 4.414 4.740 0.001 0.000 0.249 2161 N C -0.801 174.793 175.510 0.141 0.000 1.072 2161 N CA 1.037 54.180 53.050 0.154 0.000 0.710 2161 N CB -1.070 37.491 38.487 0.124 0.000 0.993 2161 N HN 0.887 nan 8.380 nan 0.000 0.547 2162 N N -0.415 118.375 118.700 0.151 0.000 2.504 2162 N HA 0.541 5.281 4.740 0.001 0.000 0.268 2162 N C -1.501 174.114 175.510 0.175 0.000 1.184 2162 N CA -0.544 52.603 53.050 0.162 0.000 0.875 2162 N CB 1.594 40.203 38.487 0.202 0.000 1.630 2162 N HN -0.023 nan 8.380 nan 0.000 0.486 2163 L N 2.009 123.313 121.223 0.134 0.000 2.370 2163 L HA 0.694 5.035 4.340 0.001 0.000 0.266 2163 L C -0.790 176.088 176.870 0.014 0.000 1.002 2163 L CA -1.003 53.891 54.840 0.089 0.000 0.818 2163 L CB 2.095 44.182 42.059 0.047 0.000 1.325 2163 L HN 0.278 nan 8.230 nan 0.000 0.418 2164 V N 2.813 122.692 119.914 -0.059 0.000 2.823 2164 V HA 0.546 4.667 4.120 0.001 0.000 0.312 2164 V C -0.781 175.203 176.094 -0.184 0.000 1.072 2164 V CA -0.494 61.677 62.300 -0.215 0.000 0.937 2164 V CB 2.549 34.070 31.823 -0.503 0.000 1.013 2164 V HN 0.407 nan 8.190 nan 0.000 0.430 2165 V N 5.237 125.028 119.914 -0.205 0.000 2.333 2165 V HA 0.367 4.488 4.120 0.001 0.000 0.274 2165 V C -0.275 175.606 176.094 -0.354 0.000 1.028 2165 V CA -0.446 61.659 62.300 -0.324 0.000 0.851 2165 V CB 1.362 32.905 31.823 -0.467 0.000 1.000 2165 V HN 0.914 nan 8.190 nan 0.000 0.456 2166 D N 4.097 124.317 120.400 -0.299 0.000 2.441 2166 D HA 0.236 4.877 4.640 0.001 0.000 0.221 2166 D C 0.686 176.863 176.300 -0.205 0.000 1.156 2166 D CA -0.368 53.528 54.000 -0.173 0.000 0.896 2166 D CB 0.586 41.312 40.800 -0.123 0.000 1.028 2166 D HN 0.399 nan 8.370 nan 0.000 0.509 2167 F N 1.980 121.883 119.950 -0.078 0.000 2.583 2167 F HA -0.003 4.525 4.527 0.001 0.000 0.297 2167 F C 2.231 177.993 175.800 -0.064 0.000 1.131 2167 F CA 0.441 58.389 58.000 -0.086 0.000 1.467 2167 F CB 0.045 38.977 39.000 -0.113 0.000 1.097 2167 F HN 0.285 nan 8.300 nan 0.000 0.586 2168 R N -0.268 120.280 120.500 0.080 0.000 2.189 2168 R HA -0.124 4.217 4.340 0.001 0.000 0.223 2168 R C 2.467 178.782 176.300 0.025 0.000 1.092 2168 R CA 1.250 57.387 56.100 0.061 0.000 0.989 2168 R CB -0.493 29.854 30.300 0.078 0.000 0.876 2168 R HN 0.350 nan 8.270 nan 0.000 0.457 2169 S N 0.655 116.337 115.700 -0.029 0.000 2.399 2169 S HA -0.118 4.353 4.470 0.001 0.000 0.231 2169 S C 1.865 176.431 174.600 -0.056 0.000 1.022 2169 S CA 0.747 58.909 58.200 -0.062 0.000 0.983 2169 S CB -0.177 62.949 63.200 -0.123 0.000 0.803 2169 S HN 0.059 nan 8.310 nan 0.000 0.480 2170 L N 2.832 124.031 121.223 -0.039 0.000 1.970 2170 L HA 0.021 4.362 4.340 0.001 0.000 0.212 2170 L C -0.343 176.477 176.870 -0.083 0.000 1.071 2170 L CA 1.971 56.787 54.840 -0.041 0.000 0.751 2170 L CB -1.668 40.394 42.059 0.004 0.000 0.889 2170 L HN 0.284 nan 8.230 nan 0.000 0.432 2171 P HA -0.135 nan 4.420 nan 0.000 0.219 2171 P C 2.058 179.261 177.300 -0.162 0.000 1.150 2171 P CA 1.520 64.561 63.100 -0.100 0.000 0.814 2171 P CB 0.115 31.784 31.700 -0.052 0.000 0.787 2172 I N -0.608 119.881 120.570 -0.134 0.000 2.163 2172 I HA -0.193 3.978 4.170 0.001 0.000 0.240 2172 I C 2.733 178.535 176.117 -0.525 0.000 1.081 2172 I CA 1.532 62.713 61.300 -0.199 0.000 1.353 2172 I CB -0.616 37.404 38.000 0.033 0.000 1.054 2172 I HN -0.161 nan 8.210 nan 0.000 0.407 2173 M N 0.146 119.540 119.600 -0.344 0.000 2.374 2173 M HA -0.161 4.320 4.480 0.001 0.000 0.264 2173 M C 2.113 178.055 176.300 -0.597 0.000 1.067 2173 M CA 1.161 56.208 55.300 -0.421 0.000 1.103 2173 M CB -0.365 32.204 32.600 -0.051 0.000 1.402 2173 M HN 0.002 nan 8.290 nan 0.000 0.444 2174 K N 1.152 121.309 120.400 -0.406 0.000 2.360 2174 K HA -0.128 4.192 4.320 0.001 0.000 0.201 2174 K C 1.640 178.020 176.600 -0.366 0.000 1.046 2174 K CA 1.367 57.478 56.287 -0.294 0.000 0.945 2174 K CB -0.154 32.232 32.500 -0.190 0.000 0.750 2174 K HN 0.430 nan 8.250 nan 0.000 0.464 2175 Q N -1.186 118.232 119.800 -0.637 0.000 2.226 2175 Q HA -0.128 4.212 4.340 0.001 0.000 0.204 2175 Q C 0.594 176.442 176.000 -0.252 0.000 0.975 2175 Q CA 1.620 57.120 55.803 -0.506 0.000 0.866 2175 Q CB -0.071 28.241 28.738 -0.709 0.000 0.915 2175 Q HN 0.651 nan 8.270 nan 0.000 0.440 2176 W N -2.240 119.063 121.300 0.005 0.000 2.324 2176 W HA 0.715 5.376 4.660 0.001 0.000 0.316 2176 W C -0.139 176.366 176.519 -0.025 0.000 0.927 2176 W CA -0.229 57.113 57.345 -0.004 0.000 1.438 2176 W CB 0.285 29.750 29.460 0.008 0.000 1.085 2176 W HN -0.086 nan 8.180 nan 0.000 0.532 2177 A N 0.660 123.528 122.820 0.080 0.000 2.566 2177 A HA 0.554 4.875 4.320 0.001 0.000 0.290 2177 A C -1.077 176.478 177.584 -0.048 0.000 1.071 2177 A CA -1.255 50.804 52.037 0.038 0.000 0.658 2177 A CB 0.804 19.881 19.000 0.127 0.000 1.285 2177 A HN 0.027 nan 8.150 nan 0.000 0.427 2178 K N 0.441 120.774 120.400 -0.111 0.000 2.326 2178 K HA 0.492 4.812 4.320 0.001 0.000 0.275 2178 K C -0.803 175.820 176.600 0.039 0.000 1.018 2178 K CA -0.194 56.047 56.287 -0.076 0.000 0.962 2178 K CB 1.155 33.529 32.500 -0.210 0.000 0.953 2178 K HN 0.375 nan 8.250 nan 0.000 0.475 2179 V N 4.821 124.763 119.914 0.046 0.000 2.459 2179 V HA 0.341 4.462 4.120 0.001 0.000 0.295 2179 V C -0.154 175.983 176.094 0.071 0.000 1.029 2179 V CA -0.890 61.442 62.300 0.054 0.000 0.874 2179 V CB 1.362 33.187 31.823 0.003 0.000 0.985 2179 V HN 0.582 nan 8.190 nan 0.000 0.438 2180 I N 4.232 124.840 120.570 0.064 0.000 2.530 2180 I HA 0.385 4.556 4.170 0.001 0.000 0.297 2180 I C -0.800 175.357 176.117 0.067 0.000 1.011 2180 I CA -0.849 60.469 61.300 0.031 0.000 1.107 2180 I CB 1.763 39.746 38.000 -0.029 0.000 1.285 2180 I HN 0.685 nan 8.210 nan 0.000 0.436 2181 Y N 4.911 125.210 120.300 -0.002 0.000 2.331 2181 Y HA 0.323 4.873 4.550 0.001 0.000 0.338 2181 Y C -0.026 175.904 175.900 0.050 0.000 0.976 2181 Y CA -0.812 57.297 58.100 0.014 0.000 1.137 2181 Y CB 0.833 39.345 38.460 0.087 0.000 1.172 2181 Y HN 0.500 nan 8.280 nan 0.000 0.478 2182 D N 5.199 125.170 120.400 -0.715 0.000 2.393 2182 D HA 0.230 4.870 4.640 0.001 0.000 0.232 2182 D C 0.540 176.332 176.300 -0.845 0.000 1.192 2182 D CA 0.348 54.024 54.000 -0.540 0.000 0.882 2182 D CB 1.299 41.789 40.800 -0.518 0.000 1.038 2182 D HN 0.816 nan 8.370 nan 0.000 0.499 2183 A N 2.917 125.445 122.820 -0.487 0.000 2.119 2183 A HA -0.078 4.242 4.320 0.001 0.000 0.216 2183 A C 1.890 179.465 177.584 -0.015 0.000 1.152 2183 A CA 1.532 53.450 52.037 -0.198 0.000 0.708 2183 A CB -0.166 18.925 19.000 0.152 0.000 0.805 2183 A HN 0.613 nan 8.150 nan 0.000 0.460 2184 T N -4.050 110.503 114.554 -0.001 0.000 3.033 2184 T HA 0.033 4.384 4.350 0.001 0.000 0.248 2184 T C 1.635 176.263 174.700 -0.120 0.000 1.040 2184 T CA 1.184 63.260 62.100 -0.040 0.000 1.133 2184 T CB -0.504 68.322 68.868 -0.071 0.000 0.895 2184 T HN 0.518 nan 8.240 nan 0.000 0.465 2185 H N 1.221 120.258 119.070 -0.056 0.000 2.502 2185 H HA 0.348 4.905 4.556 0.001 0.000 0.283 2185 H C 2.396 177.671 175.328 -0.088 0.000 1.015 2185 H CA 0.971 56.968 56.048 -0.086 0.000 1.298 2185 H CB -0.025 29.637 29.762 -0.166 0.000 1.411 2185 H HN 0.289 nan 8.280 nan 0.000 0.556 2186 S N 0.097 115.791 115.700 -0.011 0.000 2.474 2186 S HA -0.086 4.385 4.470 0.001 0.000 0.235 2186 S C 1.860 176.491 174.600 0.052 0.000 0.997 2186 S CA 1.133 59.328 58.200 -0.009 0.000 0.949 2186 S CB -0.034 63.157 63.200 -0.016 0.000 0.766 2186 S HN 0.460 nan 8.310 nan 0.000 0.517 2187 V N 0.047 120.007 119.914 0.077 0.000 3.528 2187 V HA 0.248 4.369 4.120 0.001 0.000 0.294 2187 V C 0.362 176.518 176.094 0.103 0.000 1.404 2187 V CA -0.571 61.801 62.300 0.121 0.000 1.065 2187 V CB -0.834 31.111 31.823 0.203 0.000 0.904 2187 V HN 0.481 nan 8.190 nan 0.000 0.435 2188 Q N 1.393 121.230 119.800 0.061 0.000 2.340 2188 Q HA 0.582 4.922 4.340 0.001 0.000 0.249 2188 Q C -0.721 175.325 176.000 0.076 0.000 0.957 2188 Q CA -0.510 55.325 55.803 0.053 0.000 0.882 2188 Q CB 1.455 30.207 28.738 0.024 0.000 1.235 2188 Q HN 0.522 nan 8.270 nan 0.000 0.439 2189 L N 3.466 124.737 121.223 0.081 0.000 2.264 2189 L HA 0.411 4.751 4.340 0.001 0.000 0.287 2189 L C -2.149 174.776 176.870 0.091 0.000 1.039 2189 L CA -2.316 52.580 54.840 0.093 0.000 0.829 2189 L CB 0.820 42.936 42.059 0.094 0.000 1.211 2189 L HN 0.518 nan 8.230 nan 0.000 0.427 2190 P HA 0.085 nan 4.420 nan 0.000 0.262 2190 P C 0.580 177.941 177.300 0.103 0.000 1.182 2190 P CA 0.584 63.754 63.100 0.118 0.000 0.761 2190 P CB 0.649 32.438 31.700 0.149 0.000 0.795 2200 M N 1.007 120.700 119.600 0.156 0.000 2.072 2200 M HA 0.496 4.977 4.480 0.001 0.000 0.331 2200 M C 1.182 177.510 176.300 0.046 0.000 1.004 2200 M CA -0.490 54.870 55.300 0.101 0.000 0.952 2200 M CB 1.854 34.560 32.600 0.178 0.000 1.511 2200 M HN 0.626 nan 8.290 nan 0.000 0.422 2201 R N 2.227 122.717 120.500 -0.018 0.000 2.193 2201 R HA -0.159 4.181 4.340 0.001 0.000 0.229 2201 R C 1.489 177.756 176.300 -0.056 0.000 1.110 2201 R CA 1.943 58.034 56.100 -0.015 0.000 0.988 2201 R CB 0.142 30.426 30.300 -0.026 0.000 0.871 2201 R HN 0.856 nan 8.270 nan 0.000 0.458 2202 E N -0.701 119.369 120.200 -0.216 0.000 2.333 2202 E HA -0.184 4.166 4.350 0.001 0.000 0.198 2202 E C 0.584 176.986 176.600 -0.329 0.000 1.007 2202 E CA 0.884 57.083 56.400 -0.334 0.000 0.845 2202 E CB -0.115 29.251 29.700 -0.558 0.000 0.766 2202 E HN 0.381 nan 8.360 nan 0.000 0.507 2203 F N 0.489 120.492 119.950 0.088 0.000 2.721 2203 F HA 0.334 4.861 4.527 0.001 0.000 0.301 2203 F C 1.745 177.635 175.800 0.149 0.000 1.096 2203 F CA -0.587 57.475 58.000 0.104 0.000 1.308 2203 F CB -0.016 39.038 39.000 0.089 0.000 1.086 2203 F HN -0.055 nan 8.300 nan 0.000 0.587 2204 I N -0.417 120.319 120.570 0.277 0.000 2.099 2204 I HA -0.365 3.805 4.170 0.001 0.000 0.239 2204 I C 2.546 178.874 176.117 0.352 0.000 1.066 2204 I CA 1.865 63.327 61.300 0.269 0.000 1.324 2204 I CB -0.527 37.570 38.000 0.163 0.000 1.037 2204 I HN 0.131 nan 8.210 nan 0.000 0.401 2205 F N 1.909 121.931 119.950 0.120 0.000 2.102 2205 F HA -0.171 4.356 4.527 0.001 0.000 0.298 2205 F C -0.333 175.529 175.800 0.103 0.000 1.105 2205 F CA 1.258 59.318 58.000 0.099 0.000 1.239 2205 F CB -1.039 37.995 39.000 0.058 0.000 0.991 2205 F HN 0.024 nan 8.300 nan 0.000 0.474 2206 P HA -0.211 nan 4.420 nan 0.000 0.215 2206 P C 1.724 179.058 177.300 0.058 0.000 1.157 2206 P CA 1.643 64.762 63.100 0.031 0.000 0.874 2206 P CB -0.099 31.673 31.700 0.120 0.000 0.790 2207 L N -1.550 119.787 121.223 0.190 0.000 2.217 2207 L HA -0.066 4.274 4.340 0.001 0.000 0.211 2207 L C 2.425 179.384 176.870 0.148 0.000 1.107 2207 L CA 0.931 55.893 54.840 0.204 0.000 0.783 2207 L CB -0.611 41.683 42.059 0.392 0.000 0.919 2207 L HN -0.028 nan 8.230 nan 0.000 0.442 2208 I N -0.114 120.634 120.570 0.298 0.000 2.439 2208 I HA -0.242 3.929 4.170 0.001 0.000 0.251 2208 I C 2.748 178.950 176.117 0.141 0.000 1.139 2208 I CA 0.994 62.486 61.300 0.321 0.000 1.438 2208 I CB -0.022 38.241 38.000 0.437 0.000 1.085 2208 I HN 0.219 nan 8.210 nan 0.000 0.427 2209 R N 0.613 121.160 120.500 0.078 0.000 2.092 2209 R HA -0.113 4.227 4.340 0.001 0.000 0.231 2209 R C 2.356 178.576 176.300 -0.134 0.000 1.119 2209 R CA 1.369 57.447 56.100 -0.036 0.000 0.970 2209 R CB -0.455 29.749 30.300 -0.160 0.000 0.864 2209 R HN 0.416 nan 8.270 nan 0.000 0.440 2210 A N 1.476 124.145 122.820 -0.252 0.000 1.902 2210 A HA -0.119 4.201 4.320 0.001 0.000 0.217 2210 A C 2.410 179.693 177.584 -0.502 0.000 1.181 2210 A CA 1.673 53.400 52.037 -0.517 0.000 0.623 2210 A CB -0.630 17.804 19.000 -0.943 0.000 0.818 2210 A HN 0.385 nan 8.150 nan 0.000 0.443 2211 A N -0.008 122.615 122.820 -0.329 0.000 1.883 2211 A HA -0.086 4.235 4.320 0.001 0.000 0.217 2211 A C 2.319 179.885 177.584 -0.029 0.000 1.186 2211 A CA 2.565 54.531 52.037 -0.118 0.000 0.624 2211 A CB -1.310 17.531 19.000 -0.266 0.000 0.822 2211 A HN 1.176 nan 8.150 nan 0.000 0.444 2212 V N -2.845 117.079 119.914 0.016 0.000 2.667 2212 V HA 0.114 4.234 4.120 0.001 0.000 0.252 2212 V C 2.446 178.601 176.094 0.103 0.000 1.065 2212 V CA 1.535 63.878 62.300 0.071 0.000 1.083 2212 V CB -1.266 30.586 31.823 0.049 0.000 0.692 2212 V HN 0.506 nan 8.190 nan 0.000 0.468 2213 A N 0.468 123.297 122.820 0.016 0.000 1.929 2213 A HA -0.002 4.319 4.320 0.001 0.000 0.216 2213 A C 2.328 179.967 177.584 0.092 0.000 1.176 2213 A CA 1.911 53.979 52.037 0.052 0.000 0.628 2213 A CB -0.641 18.317 19.000 -0.071 0.000 0.816 2213 A HN 0.416 nan 8.150 nan 0.000 0.444 2214 V N -0.862 119.024 119.914 -0.047 0.000 2.323 2214 V HA 0.273 4.393 4.120 0.001 0.000 0.244 2214 V C 1.322 177.301 176.094 -0.191 0.000 1.041 2214 V CA 1.377 63.640 62.300 -0.063 0.000 1.025 2214 V CB -1.149 30.637 31.823 -0.061 0.000 0.656 2214 V HN 1.238 nan 8.190 nan 0.000 0.451 2215 G N -0.358 108.238 108.800 -0.339 0.000 3.400 2215 G HA2 0.105 4.065 3.960 0.001 0.000 0.679 2215 G HA3 0.105 4.065 3.960 0.001 0.000 0.679 2215 G C -0.769 173.901 174.900 -0.382 0.000 1.239 2215 G CA -0.650 43.912 45.100 -0.896 0.000 1.049 2215 G HN 1.028 nan 8.290 nan 0.000 0.539 2216 C N 0.284 119.482 119.300 -0.169 0.000 3.323 2216 C HA 0.876 5.336 4.460 0.001 0.000 0.324 2216 C C 0.540 175.618 174.990 0.147 0.000 1.428 2216 C CA -0.489 58.540 59.018 0.019 0.000 1.368 2216 C CB 1.842 29.652 27.740 0.115 0.000 1.731 2216 C HN 0.642 nan 8.230 nan 0.000 0.455 2217 D N 0.292 120.742 120.400 0.084 0.000 2.360 2217 D HA 0.400 5.040 4.640 0.001 0.000 0.210 2217 D C 0.756 176.898 176.300 -0.264 0.000 1.047 2217 D CA 1.293 55.330 54.000 0.061 0.000 0.854 2217 D CB 0.985 41.825 40.800 0.067 0.000 0.936 2217 D HN 1.094 nan 8.370 nan 0.000 0.514 2218 G N -0.369 108.172 108.800 -0.433 0.000 2.368 2218 G HA2 0.385 4.346 3.960 0.001 0.000 0.293 2218 G HA3 0.385 4.346 3.960 0.001 0.000 0.293 2218 G C -1.809 172.852 174.900 -0.398 0.000 1.467 2218 G CA -0.547 43.974 45.100 -0.964 0.000 0.804 2218 G HN -0.054 nan 8.290 nan 0.000 0.535 2219 V N 0.132 119.844 119.914 -0.337 0.000 2.823 2219 V HA 0.764 4.884 4.120 0.001 0.000 0.312 2219 V C -1.264 174.827 176.094 -0.004 0.000 1.072 2219 V CA -0.734 61.574 62.300 0.012 0.000 0.937 2219 V CB 1.992 33.929 31.823 0.189 0.000 1.013 2219 V HN 0.851 nan 8.190 nan 0.000 0.430 2220 F N 4.784 124.656 119.950 -0.131 0.000 2.467 2220 F HA 0.833 5.360 4.527 0.001 0.000 0.336 2220 F C -0.509 175.223 175.800 -0.114 0.000 1.123 2220 F CA -0.730 57.182 58.000 -0.147 0.000 0.964 2220 F CB 1.508 40.406 39.000 -0.170 0.000 1.136 2220 F HN 0.391 nan 8.300 nan 0.000 0.447 2221 M N 5.576 124.972 119.600 -0.340 0.000 2.271 2221 M HA 0.293 4.773 4.480 0.001 0.000 0.285 2221 M C -1.171 174.921 176.300 -0.346 0.000 1.059 2221 M CA -0.556 54.627 55.300 -0.196 0.000 0.940 2221 M CB 2.643 35.180 32.600 -0.104 0.000 1.636 2221 M HN 0.524 nan 8.290 nan 0.000 0.460 2222 E N 1.644 121.731 120.200 -0.188 0.000 2.259 2222 E HA 0.385 4.735 4.350 0.001 0.000 0.281 2222 E C -0.593 175.943 176.600 -0.107 0.000 1.027 2222 E CA -0.202 56.097 56.400 -0.168 0.000 0.838 2222 E CB 1.918 31.580 29.700 -0.063 0.000 1.066 2222 E HN 0.441 nan 8.360 nan 0.000 0.401 2223 T N 2.401 116.895 114.554 -0.101 0.000 2.912 2223 T HA 0.241 4.591 4.350 0.001 0.000 0.299 2223 T C -1.628 173.090 174.700 0.029 0.000 1.052 2223 T CA -0.639 61.437 62.100 -0.040 0.000 0.996 2223 T CB 1.129 69.958 68.868 -0.066 0.000 1.070 2223 T HN 0.447 nan 8.240 nan 0.000 0.465 2224 H N 3.884 122.926 119.070 -0.047 0.000 2.865 2224 H HA 0.358 4.915 4.556 0.001 0.000 0.362 2224 H C -2.484 172.833 175.328 -0.019 0.000 1.114 2224 H CA -1.742 54.291 56.048 -0.025 0.000 1.208 2224 H CB 2.731 32.480 29.762 -0.022 0.000 1.727 2224 H HN 0.322 nan 8.280 nan 0.000 0.534 2225 P HA -0.104 nan 4.420 nan 0.000 0.216 2225 P C -0.654 176.754 177.300 0.179 0.000 1.150 2225 P CA 1.500 64.625 63.100 0.042 0.000 0.843 2225 P CB 0.395 32.058 31.700 -0.061 0.000 0.787 2226 E N -2.672 117.811 120.200 0.472 0.000 3.117 2226 E HA 0.144 4.495 4.350 0.001 0.000 0.262 2226 E C -2.229 174.361 176.600 -0.018 0.000 1.202 2226 E CA -1.510 55.016 56.400 0.210 0.000 0.853 2226 E CB 0.986 30.772 29.700 0.144 0.000 1.426 2226 E HN 0.073 nan 8.360 nan 0.000 0.387 2227 P HA -0.318 nan 4.420 nan 0.000 0.218 2227 P C 1.218 178.375 177.300 -0.240 0.000 1.152 2227 P CA 1.539 64.498 63.100 -0.236 0.000 0.857 2227 P CB 0.159 31.810 31.700 -0.082 0.000 0.787 2228 E N 0.358 120.478 120.200 -0.134 0.000 2.219 2228 E HA -0.218 4.133 4.350 0.001 0.000 0.198 2228 E C 1.292 177.819 176.600 -0.121 0.000 0.998 2228 E CA 1.257 57.597 56.400 -0.099 0.000 0.818 2228 E CB -0.706 28.961 29.700 -0.055 0.000 0.741 2228 E HN 0.304 nan 8.360 nan 0.000 0.477 2229 K N 0.477 120.777 120.400 -0.166 0.000 2.358 2229 K HA 0.295 4.616 4.320 0.001 0.000 0.197 2229 K C 0.390 176.851 176.600 -0.232 0.000 1.025 2229 K CA 0.141 56.343 56.287 -0.142 0.000 1.104 2229 K CB 0.816 33.283 32.500 -0.054 0.000 0.855 2229 K HN 0.121 nan 8.250 nan 0.000 0.531 2230 A N 1.238 123.794 122.820 -0.440 0.000 2.531 2230 A HA 0.045 4.365 4.320 0.001 0.000 0.236 2230 A C 0.874 178.342 177.584 -0.193 0.000 1.062 2230 A CA 0.080 51.856 52.037 -0.434 0.000 0.760 2230 A CB 0.064 18.773 19.000 -0.486 0.000 0.995 2230 A HN 0.299 nan 8.150 nan 0.000 0.501 2231 L N 1.270 122.397 121.223 -0.160 0.000 2.591 2231 L HA 0.158 4.498 4.340 0.001 0.000 0.228 2231 L C 0.917 177.809 176.870 0.037 0.000 1.133 2231 L CA 0.542 55.282 54.840 -0.167 0.000 0.880 2231 L CB -0.214 41.479 42.059 -0.610 0.000 1.033 2231 L HN 0.642 nan 8.230 nan 0.000 0.450 2232 S N -0.604 115.126 115.700 0.050 0.000 2.533 2232 S HA 0.243 4.713 4.470 0.001 0.000 0.271 2232 S C -0.896 173.721 174.600 0.028 0.000 1.143 2232 S CA -0.695 57.564 58.200 0.099 0.000 0.891 2232 S CB 0.991 64.305 63.200 0.190 0.000 1.105 2232 S HN 0.280 nan 8.310 nan 0.000 0.468 2233 D N 2.001 122.410 120.400 0.016 0.000 2.704 2233 D HA -0.187 4.454 4.640 0.001 0.000 0.232 2233 D C 1.064 177.329 176.300 -0.057 0.000 1.183 2233 D CA 0.949 54.931 54.000 -0.031 0.000 0.647 2233 D CB -1.064 39.692 40.800 -0.072 0.000 1.013 2233 D HN 0.670 nan 8.370 nan 0.000 0.415 2234 A N -0.333 122.453 122.820 -0.058 0.000 1.969 2234 A HA -0.109 4.211 4.320 0.001 0.000 0.218 2234 A C 2.289 179.831 177.584 -0.069 0.000 1.169 2234 A CA 1.516 53.499 52.037 -0.090 0.000 0.635 2234 A CB 0.084 19.033 19.000 -0.086 0.000 0.810 2234 A HN 0.298 nan 8.150 nan 0.000 0.445 2235 S N -0.857 114.816 115.700 -0.044 0.000 2.562 2235 S HA -0.014 4.456 4.470 0.001 0.000 0.221 2235 S C 1.573 176.155 174.600 -0.031 0.000 0.975 2235 S CA 1.342 59.524 58.200 -0.030 0.000 0.918 2235 S CB -0.084 63.109 63.200 -0.010 0.000 0.772 2235 S HN 0.891 nan 8.310 nan 0.000 0.531 2236 T N -2.029 112.495 114.554 -0.050 0.000 2.986 2236 T HA 0.250 4.600 4.350 0.001 0.000 0.264 2236 T C 0.277 174.939 174.700 -0.063 0.000 0.964 2236 T CA -0.345 61.723 62.100 -0.054 0.000 0.895 2236 T CB 0.022 68.841 68.868 -0.082 0.000 1.163 2236 T HN 0.098 nan 8.240 nan 0.000 0.517 2237 Q N 1.447 121.208 119.800 -0.066 0.000 2.311 2237 Q HA 0.366 4.706 4.340 0.001 0.000 0.272 2237 Q C -0.729 175.254 176.000 -0.028 0.000 1.012 2237 Q CA -0.455 55.319 55.803 -0.048 0.000 0.891 2237 Q CB 1.137 29.857 28.738 -0.030 0.000 1.201 2237 Q HN 0.329 nan 8.270 nan 0.000 0.391 2238 L N 6.137 127.344 121.223 -0.027 0.000 2.410 2238 L HA 0.203 4.544 4.340 0.001 0.000 0.273 2238 L C -2.323 174.541 176.870 -0.010 0.000 1.152 2238 L CA -1.297 53.527 54.840 -0.027 0.000 0.855 2238 L CB 0.540 42.572 42.059 -0.044 0.000 1.129 2238 L HN 0.397 nan 8.230 nan 0.000 0.463 2239 P HA -0.014 nan 4.420 nan 0.000 0.264 2239 P C 0.945 178.243 177.300 -0.005 0.000 1.193 2239 P CA 0.096 63.200 63.100 0.006 0.000 0.763 2239 P CB 0.591 32.288 31.700 -0.004 0.000 0.810 2240 L N 2.986 124.213 121.223 0.007 0.000 2.051 2240 L HA -0.275 4.065 4.340 0.001 0.000 0.214 2240 L C 2.080 178.941 176.870 -0.015 0.000 1.076 2240 L CA 2.549 57.382 54.840 -0.011 0.000 0.758 2240 L CB -0.656 41.394 42.059 -0.016 0.000 0.890 2240 L HN 0.457 nan 8.230 nan 0.000 0.433 2241 S N -1.570 114.124 115.700 -0.011 0.000 2.469 2241 S HA -0.231 4.240 4.470 0.001 0.000 0.238 2241 S C 1.598 176.187 174.600 -0.018 0.000 0.998 2241 S CA 0.910 59.104 58.200 -0.011 0.000 0.957 2241 S CB -0.211 62.985 63.200 -0.007 0.000 0.764 2241 S HN 0.573 nan 8.310 nan 0.000 0.514 2242 Q N -0.338 119.441 119.800 -0.035 0.000 2.392 2242 Q HA 0.313 4.654 4.340 0.001 0.000 0.203 2242 Q C 1.696 177.642 176.000 -0.089 0.000 0.917 2242 Q CA -0.046 55.717 55.803 -0.066 0.000 0.939 2242 Q CB -0.056 28.630 28.738 -0.087 0.000 1.063 2242 Q HN 0.443 nan 8.270 nan 0.000 0.516 2243 L N 1.448 122.639 121.223 -0.052 0.000 2.017 2243 L HA -0.202 4.139 4.340 0.001 0.000 0.208 2243 L C 2.171 179.033 176.870 -0.013 0.000 1.073 2243 L CA 1.958 56.773 54.840 -0.041 0.000 0.745 2243 L CB -0.376 41.678 42.059 -0.008 0.000 0.894 2243 L HN 0.209 nan 8.230 nan 0.000 0.432 2244 E N -0.934 119.292 120.200 0.042 0.000 2.058 2244 E HA -0.226 4.125 4.350 0.001 0.000 0.194 2244 E C 2.060 178.713 176.600 0.088 0.000 0.997 2244 E CA 1.271 57.752 56.400 0.135 0.000 0.801 2244 E CB -0.493 29.305 29.700 0.163 0.000 0.746 2244 E HN 0.623 nan 8.360 nan 0.000 0.450 2245 G N 1.201 110.013 108.800 0.020 0.000 2.440 2245 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 2245 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 2245 G C 1.607 176.457 174.900 -0.082 0.000 1.154 2245 G CA 0.883 45.980 45.100 -0.005 0.000 0.767 2245 G HN 0.263 nan 8.290 nan 0.000 0.552 2246 I N 0.350 120.787 120.570 -0.222 0.000 2.315 2246 I HA -0.080 4.091 4.170 0.001 0.000 0.248 2246 I C 2.631 178.681 176.117 -0.112 0.000 1.117 2246 I CA 0.630 61.729 61.300 -0.335 0.000 1.404 2246 I CB -0.167 37.573 38.000 -0.433 0.000 1.071 2246 I HN 0.162 nan 8.210 nan 0.000 0.419 2247 I N 0.663 121.156 120.570 -0.129 0.000 2.179 2247 I HA -0.281 3.889 4.170 0.001 0.000 0.242 2247 I C 2.631 178.590 176.117 -0.263 0.000 1.088 2247 I CA 1.344 62.507 61.300 -0.227 0.000 1.357 2247 I CB -0.305 37.451 38.000 -0.407 0.000 1.051 2247 I HN 0.209 nan 8.210 nan 0.000 0.409 2248 E N 1.581 121.691 120.200 -0.149 0.000 2.077 2248 E HA -0.213 4.138 4.350 0.001 0.000 0.193 2248 E C 2.057 178.686 176.600 0.049 0.000 0.989 2248 E CA 1.773 58.194 56.400 0.036 0.000 0.800 2248 E CB -0.178 29.651 29.700 0.216 0.000 0.746 2248 E HN 0.416 nan 8.360 nan 0.000 0.452 2249 A N 1.176 124.048 122.820 0.086 0.000 1.877 2249 A HA -0.134 4.187 4.320 0.001 0.000 0.216 2249 A C 2.385 180.030 177.584 0.102 0.000 1.186 2249 A CA 1.811 53.944 52.037 0.160 0.000 0.620 2249 A CB -1.017 18.224 19.000 0.401 0.000 0.822 2249 A HN 0.532 nan 8.150 nan 0.000 0.443 2250 I N -2.825 117.792 120.570 0.077 0.000 2.546 2250 I HA -0.098 4.072 4.170 0.001 0.000 0.255 2250 I C 2.029 178.070 176.117 -0.126 0.000 1.163 2250 I CA 1.040 62.346 61.300 0.010 0.000 1.457 2250 I CB -0.409 37.621 38.000 0.049 0.000 1.092 2250 I HN 0.192 nan 8.210 nan 0.000 0.434 2251 L N 1.121 122.261 121.223 -0.139 0.000 2.093 2251 L HA -0.111 4.230 4.340 0.001 0.000 0.208 2251 L C 2.663 179.479 176.870 -0.090 0.000 1.085 2251 L CA 1.477 56.216 54.840 -0.169 0.000 0.755 2251 L CB -0.530 41.466 42.059 -0.104 0.000 0.904 2251 L HN 0.277 nan 8.230 nan 0.000 0.435 2252 E N 0.337 120.518 120.200 -0.030 0.000 2.072 2252 E HA -0.191 4.160 4.350 0.001 0.000 0.191 2252 E C 2.272 178.854 176.600 -0.030 0.000 0.985 2252 E CA 1.125 57.518 56.400 -0.011 0.000 0.801 2252 E CB -0.047 29.665 29.700 0.020 0.000 0.750 2252 E HN 0.456 nan 8.360 nan 0.000 0.452 2253 I N 0.860 121.413 120.570 -0.029 0.000 2.226 2253 I HA -0.265 3.905 4.170 0.001 0.000 0.245 2253 I C 2.742 178.833 176.117 -0.042 0.000 1.100 2253 I CA 1.017 62.299 61.300 -0.029 0.000 1.374 2253 I CB -0.237 37.751 38.000 -0.019 0.000 1.057 2253 I HN 0.034 nan 8.210 nan 0.000 0.413 2254 R N 1.052 121.506 120.500 -0.077 0.000 2.081 2254 R HA -0.229 4.112 4.340 0.001 0.000 0.235 2254 R C 2.354 178.572 176.300 -0.136 0.000 1.131 2254 R CA 1.617 57.665 56.100 -0.087 0.000 0.960 2254 R CB -0.269 29.892 30.300 -0.231 0.000 0.856 2254 R HN 0.256 nan 8.270 nan 0.000 0.436 2255 E N 0.312 120.442 120.200 -0.117 0.000 2.085 2255 E HA -0.164 4.186 4.350 0.001 0.000 0.194 2255 E C 1.846 178.372 176.600 -0.123 0.000 0.994 2255 E CA 1.788 58.123 56.400 -0.108 0.000 0.801 2255 E CB 0.012 29.674 29.700 -0.064 0.000 0.743 2255 E HN 0.296 nan 8.360 nan 0.000 0.453 2256 V N 0.847 120.708 119.914 -0.088 0.000 2.346 2256 V HA -0.126 3.995 4.120 0.001 0.000 0.244 2256 V C 2.524 178.578 176.094 -0.068 0.000 1.037 2256 V CA 1.563 63.826 62.300 -0.062 0.000 1.029 2256 V CB -0.716 31.100 31.823 -0.012 0.000 0.663 2256 V HN 0.324 nan 8.190 nan 0.000 0.454 2257 A N 0.887 123.661 122.820 -0.077 0.000 1.969 2257 A HA -0.159 4.161 4.320 0.001 0.000 0.218 2257 A C 2.497 179.795 177.584 -0.476 0.000 1.169 2257 A CA 1.793 53.797 52.037 -0.055 0.000 0.635 2257 A CB -0.703 18.330 19.000 0.055 0.000 0.810 2257 A HN 0.669 nan 8.150 nan 0.000 0.445 2258 S N 0.420 115.607 115.700 -0.855 0.000 2.420 2258 S HA -0.273 4.198 4.470 0.001 0.000 0.237 2258 S C 1.839 175.951 174.600 -0.813 0.000 1.023 2258 S CA 1.678 59.000 58.200 -1.464 0.000 0.991 2258 S CB -0.461 62.312 63.200 -0.711 0.000 0.792 2258 S HN 0.669 nan 8.310 nan 0.000 0.488 2259 K N 0.499 120.549 120.400 -0.582 0.000 2.211 2259 K HA -0.136 4.185 4.320 0.001 0.000 0.204 2259 K C 0.884 177.090 176.600 -0.657 0.000 1.047 2259 K CA 1.447 57.363 56.287 -0.617 0.000 0.935 2259 K CB -0.243 31.776 32.500 -0.801 0.000 0.728 2259 K HN 0.649 nan 8.250 nan 0.000 0.452 2260 Y N -0.771 119.419 120.300 -0.185 0.000 2.458 2260 Y HA 0.134 4.685 4.550 0.001 0.000 0.256 2260 Y C -0.251 175.697 175.900 0.080 0.000 1.159 2260 Y CA -1.013 57.057 58.100 -0.050 0.000 1.261 2260 Y CB 0.206 38.648 38.460 -0.030 0.000 1.119 2260 Y HN -0.132 nan 8.280 nan 0.000 0.524 2261 Y N 2.076 122.415 120.300 0.066 0.000 2.620 2261 Y HA 0.083 4.634 4.550 0.001 0.000 0.330 2261 Y C 0.691 176.609 175.900 0.029 0.000 1.186 2261 Y CA -1.084 57.042 58.100 0.044 0.000 1.467 2261 Y CB -0.022 38.452 38.460 0.022 0.000 1.262 2261 Y HN 0.121 nan 8.280 nan 0.000 0.550 2262 E N 0.659 120.966 120.200 0.179 0.000 2.383 2262 E HA 0.136 4.487 4.350 0.001 0.000 0.264 2262 E C -0.159 176.481 176.600 0.067 0.000 1.050 2262 E CA -0.081 56.375 56.400 0.094 0.000 0.896 2262 E CB 0.284 30.017 29.700 0.056 0.000 0.982 2262 E HN 0.423 nan 8.360 nan 0.000 0.424 2263 T N 4.026 118.607 114.554 0.045 0.000 2.817 2263 T HA 0.131 4.482 4.350 0.001 0.000 0.295 2263 T C 0.944 175.648 174.700 0.006 0.000 0.958 2263 T CA -0.121 61.996 62.100 0.028 0.000 1.157 2263 T CB -0.295 68.586 68.868 0.021 0.000 0.898 2263 T HN 0.557 nan 8.240 nan 0.000 0.536 2264 I N 0.000 120.567 120.570 -0.006 0.000 2.984 2264 I HA 0.000 4.170 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.278 61.300 -0.036 0.000 1.566 2264 I CB 0.000 37.984 38.000 -0.026 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494