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 1w6s_1_C DATA FIRST_RESID 2001 DATA SEQUENCE NDKLVELSKS DDNWVMPGKN YDSNNFSDLK QINKGNVKQL RPAWTFSTGL DATA SEQUENCE LNGHEGAPLV VDGKMYIHTS FPNNTFALGL DDPGTILWQD KPKQNPAARA DATA SEQUENCE VACCDLVNRG LAYWPGDGKT PALILKTQLD GNVAALNAET GETVWKVENS DATA SEQUENCE DIKVGSTLTI APYVVKDKVI IGSSGAELGV RGYLTAYDVK TGEQVWRAYA DATA SEQUENCE TGPDKDLLLA SDFNIKNPHY GQKGLGTGTW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE GTNLIYFGTG NPAPWNETMR PGDNKWTMTI FGRDADTGEA KFGYQKTPHD DATA SEQUENCE EWDYAGVNVM MLSEQKDKDG KARKLLTHPD RNGIVYTLDR TDGALVSANK DATA SEQUENCE LDDTVNVFKS VDLKTGQPVR DPEYGTRMDH LAKDIcPSAM GYHNQGHDSY DATA SEQUENCE DPKRELFFMG INHIcMDWEP FMLPYKAGQF FVGATLNMYP GPKGDRQNYE DATA SEQUENCE GLGQIKAYNA ITGDYKWEKM ERFAVWGGTM ATAGDLVFYG TLDGYLKARD DATA SEQUENCE SDTGDLLWKF KIPSGAIGYP MTYTHKGTQY VAIYYGVGGW PGVGLVFDLA DATA SEQUENCE DPTAGLGAVG AFKKLANYTQ MGGGVVVFSL DGKGPYDDPN VGEWKSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2001 N HA 0.000 nan 4.740 nan 0.000 0.220 2001 N C 0.000 175.650 175.510 0.233 0.000 1.280 2001 N CA 0.000 53.185 53.050 0.226 0.000 0.885 2001 N CB 0.000 38.614 38.487 0.212 0.000 1.341 2002 D N 1.795 122.286 120.400 0.152 0.000 2.144 2002 D HA -0.101 4.532 4.640 -0.012 0.000 0.200 2002 D C 1.540 177.894 176.300 0.090 0.000 0.978 2002 D CA 1.260 55.337 54.000 0.128 0.000 0.833 2002 D CB 0.414 41.269 40.800 0.091 0.000 0.961 2002 D HN 0.545 nan 8.370 nan 0.000 0.470 2003 K N 0.655 121.082 120.400 0.045 0.000 2.155 2003 K HA 0.029 4.342 4.320 -0.012 0.000 0.203 2003 K C 1.988 178.602 176.600 0.025 0.000 1.052 2003 K CA 0.567 56.861 56.287 0.012 0.000 0.948 2003 K CB -0.350 32.120 32.500 -0.050 0.000 0.728 2003 K HN 0.108 nan 8.250 nan 0.000 0.448 2004 L N -0.167 121.080 121.223 0.040 0.000 2.093 2004 L HA -0.147 4.186 4.340 -0.012 0.000 0.208 2004 L C 2.109 178.969 176.870 -0.016 0.000 1.085 2004 L CA 0.794 55.640 54.840 0.010 0.000 0.755 2004 L CB -0.349 41.699 42.059 -0.018 0.000 0.904 2004 L HN 0.010 nan 8.230 nan 0.000 0.435 2005 V N 0.194 120.152 119.914 0.072 0.000 2.295 2005 V HA -0.321 3.792 4.120 -0.012 0.000 0.246 2005 V C 2.472 178.593 176.094 0.045 0.000 1.049 2005 V CA 2.194 64.543 62.300 0.083 0.000 1.024 2005 V CB -0.452 31.478 31.823 0.178 0.000 0.648 2005 V HN 0.540 nan 8.190 nan 0.000 0.447 2006 E N 0.208 120.437 120.200 0.048 0.000 2.077 2006 E HA -0.214 4.129 4.350 -0.012 0.000 0.193 2006 E C 2.172 178.785 176.600 0.022 0.000 0.989 2006 E CA 1.472 57.893 56.400 0.035 0.000 0.800 2006 E CB -0.274 29.447 29.700 0.034 0.000 0.746 2006 E HN 0.562 nan 8.360 nan 0.000 0.452 2007 L N 1.090 122.322 121.223 0.016 0.000 2.083 2007 L HA -0.169 4.164 4.340 -0.012 0.000 0.209 2007 L C 2.717 179.582 176.870 -0.008 0.000 1.083 2007 L CA 1.409 56.255 54.840 0.010 0.000 0.752 2007 L CB -0.518 41.553 42.059 0.021 0.000 0.899 2007 L HN 0.299 nan 8.230 nan 0.000 0.433 2008 S N -0.800 114.880 115.700 -0.033 0.000 2.507 2008 S HA -0.141 4.322 4.470 -0.012 0.000 0.235 2008 S C 1.743 176.326 174.600 -0.029 0.000 0.988 2008 S CA 0.608 58.770 58.200 -0.064 0.000 0.944 2008 S CB -0.251 62.880 63.200 -0.116 0.000 0.762 2008 S HN 0.398 nan 8.310 nan 0.000 0.526 2009 K N 1.316 121.717 120.400 0.002 0.000 2.432 2009 K HA 0.158 4.471 4.320 -0.012 0.000 0.196 2009 K C 0.718 177.334 176.600 0.027 0.000 1.038 2009 K CA 0.287 56.586 56.287 0.021 0.000 0.986 2009 K CB 0.064 32.583 32.500 0.030 0.000 0.782 2009 K HN 0.370 nan 8.250 nan 0.000 0.485 2010 S N 1.029 116.746 115.700 0.028 0.000 2.499 2010 S HA 0.070 4.533 4.470 -0.012 0.000 0.279 2010 S C 0.354 174.991 174.600 0.062 0.000 1.219 2010 S CA -0.799 57.427 58.200 0.043 0.000 1.062 2010 S CB 0.992 64.218 63.200 0.044 0.000 0.978 2010 S HN 0.053 nan 8.310 nan 0.000 0.489 2011 D N 2.924 123.367 120.400 0.073 0.000 2.363 2011 D HA -0.020 4.613 4.640 -0.012 0.000 0.220 2011 D C 0.506 176.902 176.300 0.160 0.000 0.994 2011 D CA 0.555 54.617 54.000 0.103 0.000 0.890 2011 D CB 0.069 40.914 40.800 0.076 0.000 0.906 2011 D HN 0.610 nan 8.370 nan 0.000 0.530 2012 D N 0.325 120.812 120.400 0.145 0.000 2.348 2012 D HA -0.013 4.620 4.640 -0.012 0.000 0.216 2012 D C 0.349 176.760 176.300 0.184 0.000 0.970 2012 D CA 0.603 54.719 54.000 0.193 0.000 0.889 2012 D CB 0.211 41.099 40.800 0.148 0.000 0.912 2012 D HN 0.156 nan 8.370 nan 0.000 0.524 2013 N N -0.360 118.429 118.700 0.148 0.000 2.362 2013 N HA 0.185 4.918 4.740 -0.012 0.000 0.299 2013 N C -0.996 174.640 175.510 0.210 0.000 1.170 2013 N CA -0.500 52.620 53.050 0.117 0.000 0.825 2013 N CB 1.823 40.336 38.487 0.044 0.000 1.299 2013 N HN 0.026 nan 8.380 nan 0.000 0.502 2014 W N 2.484 123.778 121.300 -0.011 0.000 2.563 2014 W HA 0.276 4.933 4.660 -0.005 0.000 0.301 2014 W C 0.002 176.518 176.519 -0.005 0.000 1.006 2014 W CA -0.665 56.691 57.345 0.018 0.000 1.382 2014 W CB 0.726 30.216 29.460 0.050 0.000 1.262 2014 W HN 0.338 nan 8.180 nan 0.000 0.403 2015 V N 3.694 123.628 119.914 0.034 0.000 3.660 2015 V HA 0.321 4.434 4.120 -0.012 0.000 0.276 2015 V C 0.239 176.381 176.094 0.080 0.000 1.317 2015 V CA 0.644 62.958 62.300 0.023 0.000 1.097 2015 V CB -0.327 31.478 31.823 -0.030 0.000 0.863 2015 V HN 0.433 nan 8.190 nan 0.000 0.438 2016 M N -2.168 117.488 119.600 0.093 0.000 2.578 2016 M HA 0.742 5.215 4.480 -0.012 0.000 0.276 2016 M C -3.266 173.227 176.300 0.322 0.000 1.245 2016 M CA -1.781 53.611 55.300 0.155 0.000 0.871 2016 M CB 1.437 34.026 32.600 -0.019 0.000 1.722 2016 M HN -0.284 nan 8.290 nan 0.000 0.473 2017 P HA 0.176 nan 4.420 nan 0.000 0.262 2017 P C 0.866 178.381 177.300 0.358 0.000 1.182 2017 P CA 1.762 65.212 63.100 0.584 0.000 0.761 2017 P CB 0.364 32.528 31.700 0.772 0.000 0.795 2018 G N 2.395 111.206 108.800 0.018 0.000 2.162 2018 G HA2 -0.361 3.592 3.960 -0.012 0.000 0.260 2018 G HA3 -0.361 3.592 3.960 -0.012 0.000 0.260 2018 G C 0.906 175.663 174.900 -0.237 0.000 0.976 2018 G CA 0.690 45.577 45.100 -0.356 0.000 0.655 2018 G HN 0.741 nan 8.290 nan 0.000 0.533 2019 K N -1.995 118.141 120.400 -0.441 0.000 6.211 2019 K HA -0.366 3.947 4.320 -0.012 0.000 0.464 2019 K C 0.612 176.929 176.600 -0.472 0.000 0.365 2019 K CA 2.700 58.396 56.287 -0.986 0.000 1.948 2019 K CB -1.464 30.279 32.500 -1.262 0.000 0.668 2019 K HN 1.407 nan 8.250 nan 0.000 0.711 2020 N N -2.628 115.944 118.700 -0.213 0.000 2.853 2020 N HA 0.272 5.005 4.740 -0.012 0.000 0.258 2020 N C -0.021 175.532 175.510 0.072 0.000 1.444 2020 N CA -0.595 52.384 53.050 -0.118 0.000 0.837 2020 N CB -0.128 38.326 38.487 -0.056 0.000 1.489 2020 N HN -0.055 nan 8.380 nan 0.000 0.529 2021 Y N -0.300 120.110 120.300 0.184 0.000 2.439 2021 Y HA 0.024 4.567 4.550 -0.011 0.000 0.292 2021 Y C 0.872 176.948 175.900 0.294 0.000 1.130 2021 Y CA 0.745 59.030 58.100 0.309 0.000 1.254 2021 Y CB -0.301 38.359 38.460 0.333 0.000 1.000 2021 Y HN 0.579 nan 8.280 nan 0.000 0.554 2022 D N -1.128 119.471 120.400 0.332 0.000 2.269 2022 D HA -0.096 4.537 4.640 -0.012 0.000 0.208 2022 D C 1.060 177.514 176.300 0.258 0.000 0.963 2022 D CA 1.111 55.261 54.000 0.251 0.000 0.864 2022 D CB -0.176 40.732 40.800 0.180 0.000 0.936 2022 D HN 0.021 nan 8.370 nan 0.000 0.505 2023 S N -0.190 115.679 115.700 0.281 0.000 3.748 2023 S HA -0.208 4.255 4.470 -0.012 0.000 0.329 2023 S C 0.860 175.646 174.600 0.311 0.000 1.104 2023 S CA 0.650 59.038 58.200 0.314 0.000 0.954 2023 S CB -1.570 61.865 63.200 0.391 0.000 0.910 2023 S HN 0.554 nan 8.310 nan 0.000 0.494 2024 N N 1.327 120.172 118.700 0.242 0.000 2.353 2024 N HA 0.098 4.831 4.740 -0.012 0.000 0.185 2024 N C 0.274 175.968 175.510 0.306 0.000 1.098 2024 N CA 0.699 53.929 53.050 0.299 0.000 0.872 2024 N CB -0.707 37.965 38.487 0.308 0.000 0.970 2024 N HN 0.661 nan 8.380 nan 0.000 0.467 2025 N N -0.793 118.016 118.700 0.182 0.000 2.710 2025 N HA -0.240 4.493 4.740 -0.012 0.000 0.249 2025 N C -1.542 174.169 175.510 0.334 0.000 1.059 2025 N CA 0.200 53.378 53.050 0.213 0.000 0.720 2025 N CB -1.160 37.463 38.487 0.226 0.000 0.983 2025 N HN 0.348 nan 8.380 nan 0.000 0.544 2026 F N 0.985 121.011 119.950 0.126 0.000 2.467 2026 F HA 0.450 4.971 4.527 -0.011 0.000 0.336 2026 F C -0.059 175.801 175.800 0.101 0.000 1.123 2026 F CA -0.602 57.480 58.000 0.136 0.000 0.964 2026 F CB 1.623 40.689 39.000 0.109 0.000 1.136 2026 F HN -0.141 nan 8.300 nan 0.000 0.447 2027 S N 4.224 119.556 115.700 -0.613 0.000 2.475 2027 S HA 0.270 4.733 4.470 -0.012 0.000 0.298 2027 S C 0.401 174.619 174.600 -0.637 0.000 1.119 2027 S CA -0.755 57.195 58.200 -0.416 0.000 1.085 2027 S CB 0.833 63.956 63.200 -0.129 0.000 1.028 2027 S HN 0.734 nan 8.310 nan 0.000 0.489 2028 D N 3.082 123.340 120.400 -0.238 0.000 2.371 2028 D HA 0.052 4.685 4.640 -0.012 0.000 0.221 2028 D C 0.396 176.652 176.300 -0.074 0.000 0.986 2028 D CA 0.426 54.376 54.000 -0.084 0.000 0.899 2028 D CB 0.037 40.866 40.800 0.047 0.000 0.902 2028 D HN 0.484 nan 8.370 nan 0.000 0.530 2029 L N 1.085 122.253 121.223 -0.091 0.000 2.453 2029 L HA 0.036 4.369 4.340 -0.012 0.000 0.272 2029 L C 1.410 178.244 176.870 -0.060 0.000 1.182 2029 L CA 0.449 55.255 54.840 -0.057 0.000 0.858 2029 L CB 0.544 42.573 42.059 -0.049 0.000 1.120 2029 L HN -0.050 nan 8.230 nan 0.000 0.474 2030 K N 1.999 122.374 120.400 -0.041 0.000 2.644 2030 K HA 0.089 4.402 4.320 -0.012 0.000 0.198 2030 K C 0.866 177.440 176.600 -0.043 0.000 1.113 2030 K CA -0.332 55.934 56.287 -0.035 0.000 1.073 2030 K CB 0.404 32.894 32.500 -0.016 0.000 0.811 2030 K HN 0.538 nan 8.250 nan 0.000 0.508 2031 Q N 1.374 121.140 119.800 -0.058 0.000 2.096 2031 Q HA -0.018 4.315 4.340 -0.012 0.000 0.204 2031 Q C 0.213 176.163 176.000 -0.082 0.000 0.982 2031 Q CA 1.080 56.840 55.803 -0.072 0.000 0.850 2031 Q CB 0.045 28.728 28.738 -0.092 0.000 0.901 2031 Q HN 0.482 nan 8.270 nan 0.000 0.422 2032 I N 2.474 122.991 120.570 -0.088 0.000 2.352 2032 I HA 0.130 4.293 4.170 -0.012 0.000 0.290 2032 I C -0.475 175.609 176.117 -0.055 0.000 1.036 2032 I CA -0.518 60.731 61.300 -0.085 0.000 1.336 2032 I CB 0.676 38.623 38.000 -0.088 0.000 1.407 2032 I HN 0.325 nan 8.210 nan 0.000 0.497 2033 N N 4.154 122.810 118.700 -0.074 0.000 3.039 2033 N HA 0.254 4.987 4.740 -0.012 0.000 0.257 2033 N C 0.078 175.534 175.510 -0.089 0.000 1.497 2033 N CA -1.159 51.851 53.050 -0.066 0.000 0.861 2033 N CB 0.669 39.128 38.487 -0.047 0.000 1.479 2033 N HN 0.435 nan 8.380 nan 0.000 0.547 2034 K N -1.559 118.792 120.400 -0.081 0.000 2.280 2034 K HA -0.010 4.303 4.320 -0.012 0.000 0.202 2034 K C 1.261 177.819 176.600 -0.071 0.000 1.047 2034 K CA 1.498 57.731 56.287 -0.089 0.000 0.942 2034 K CB -0.535 31.919 32.500 -0.076 0.000 0.739 2034 K HN 0.588 nan 8.250 nan 0.000 0.457 2035 G N 1.642 110.407 108.800 -0.058 0.000 2.572 2035 G HA2 -0.185 3.768 3.960 -0.012 0.000 0.216 2035 G HA3 -0.185 3.768 3.960 -0.012 0.000 0.216 2035 G C 0.924 175.793 174.900 -0.051 0.000 1.133 2035 G CA 0.528 45.600 45.100 -0.047 0.000 0.791 2035 G HN 0.622 nan 8.290 nan 0.000 0.538 2036 N N -1.190 117.468 118.700 -0.070 0.000 2.082 2036 N HA 0.042 4.775 4.740 -0.012 0.000 0.228 2036 N C 1.170 176.609 175.510 -0.118 0.000 1.341 2036 N CA 0.172 53.176 53.050 -0.076 0.000 0.873 2036 N CB 0.128 38.573 38.487 -0.071 0.000 1.137 2036 N HN -0.035 nan 8.380 nan 0.000 0.505 2037 V N 1.344 121.164 119.914 -0.156 0.000 2.568 2037 V HA -0.149 3.964 4.120 -0.012 0.000 0.253 2037 V C 1.768 177.672 176.094 -0.315 0.000 1.072 2037 V CA 1.818 63.945 62.300 -0.290 0.000 1.084 2037 V CB -0.491 31.149 31.823 -0.304 0.000 0.676 2037 V HN 0.278 nan 8.190 nan 0.000 0.469 2038 K N -0.486 119.859 120.400 -0.092 0.000 2.360 2038 K HA -0.199 4.114 4.320 -0.012 0.000 0.201 2038 K C 1.914 178.553 176.600 0.065 0.000 1.046 2038 K CA 1.550 57.881 56.287 0.073 0.000 0.940 2038 K CB -0.128 32.425 32.500 0.088 0.000 0.748 2038 K HN 0.629 nan 8.250 nan 0.000 0.465 2039 Q N 0.288 120.065 119.800 -0.038 0.000 2.425 2039 Q HA 0.034 4.367 4.340 -0.012 0.000 0.204 2039 Q C -0.204 175.776 176.000 -0.033 0.000 0.933 2039 Q CA -0.202 55.596 55.803 -0.008 0.000 0.939 2039 Q CB 0.207 28.926 28.738 -0.031 0.000 1.044 2039 Q HN 0.103 nan 8.270 nan 0.000 0.513 2040 L N 1.983 123.097 121.223 -0.182 0.000 2.462 2040 L HA 0.040 4.373 4.340 -0.012 0.000 0.272 2040 L C -0.339 176.633 176.870 0.171 0.000 1.166 2040 L CA 0.997 55.707 54.840 -0.215 0.000 0.880 2040 L CB 0.130 41.699 42.059 -0.817 0.000 1.142 2040 L HN 0.006 nan 8.230 nan 0.000 0.473 2041 R N 3.831 124.456 120.500 0.208 0.000 2.734 2041 R HA 0.481 4.814 4.340 -0.012 0.000 0.271 2041 R C -2.716 173.603 176.300 0.031 0.000 1.021 2041 R CA -2.173 54.063 56.100 0.226 0.000 0.893 2041 R CB 1.137 31.530 30.300 0.155 0.000 1.244 2041 R HN 0.253 nan 8.270 nan 0.000 0.464 2042 P HA 0.096 nan 4.420 nan 0.000 0.268 2042 P C -0.266 176.906 177.300 -0.213 0.000 1.204 2042 P CA 0.335 63.095 63.100 -0.567 0.000 0.768 2042 P CB 0.706 32.002 31.700 -0.674 0.000 0.842 2043 A N 3.865 126.593 122.820 -0.152 0.000 1.993 2043 A HA 0.260 4.573 4.320 -0.012 0.000 0.207 2043 A C -0.030 177.684 177.584 0.217 0.000 1.224 2043 A CA 0.542 52.629 52.037 0.084 0.000 0.749 2043 A CB 0.005 19.155 19.000 0.251 0.000 0.884 2043 A HN 0.707 nan 8.150 nan 0.000 0.467 2044 W N -1.531 119.734 121.300 -0.058 0.000 3.059 2044 W HA 0.544 5.193 4.660 -0.018 0.000 0.329 2044 W C -1.180 175.313 176.519 -0.043 0.000 1.246 2044 W CA -0.003 57.333 57.345 -0.014 0.000 1.190 2044 W CB 0.015 29.492 29.460 0.029 0.000 1.423 2044 W HN 0.344 nan 8.180 nan 0.000 0.571 2045 T N -0.736 113.998 114.554 0.301 0.000 2.864 2045 T HA 0.803 5.146 4.350 -0.012 0.000 0.299 2045 T C -1.849 173.094 174.700 0.406 0.000 1.166 2045 T CA -0.578 61.626 62.100 0.173 0.000 1.007 2045 T CB 3.023 71.939 68.868 0.078 0.000 1.219 2045 T HN 0.781 nan 8.240 nan 0.000 0.506 2046 F N 0.996 121.039 119.950 0.154 0.000 2.689 2046 F HA 0.605 5.147 4.527 0.025 0.000 0.332 2046 F C -0.477 175.324 175.800 0.003 0.000 1.209 2046 F CA -0.487 57.571 58.000 0.097 0.000 1.028 2046 F CB 1.959 41.038 39.000 0.130 0.000 1.291 2046 F HN 0.816 nan 8.300 nan 0.000 0.500 2047 S N 2.764 118.130 115.700 -0.557 0.000 2.545 2047 S HA 0.264 4.727 4.470 -0.012 0.000 0.275 2047 S C 1.207 175.302 174.600 -0.840 0.000 1.299 2047 S CA 0.250 58.142 58.200 -0.514 0.000 1.048 2047 S CB 0.993 64.001 63.200 -0.319 0.000 0.938 2047 S HN 0.838 nan 8.310 nan 0.000 0.496 2048 T N 1.709 116.002 114.554 -0.435 0.000 3.088 2048 T HA 0.250 4.593 4.350 -0.012 0.000 0.259 2048 T C 1.480 176.118 174.700 -0.103 0.000 1.122 2048 T CA 0.707 62.682 62.100 -0.209 0.000 1.095 2048 T CB -0.447 68.487 68.868 0.111 0.000 0.930 2048 T HN 1.517 nan 8.240 nan 0.000 0.508 2049 G N 0.863 109.576 108.800 -0.144 0.000 2.159 2049 G HA2 -0.181 3.772 3.960 -0.012 0.000 0.256 2049 G HA3 -0.181 3.772 3.960 -0.012 0.000 0.256 2049 G C -0.162 174.748 174.900 0.016 0.000 0.977 2049 G CA 0.298 45.368 45.100 -0.050 0.000 0.652 2049 G HN 0.642 nan 8.290 nan 0.000 0.531 2050 L N -0.648 120.600 121.223 0.043 0.000 2.350 2050 L HA 0.750 5.083 4.340 -0.012 0.000 0.260 2050 L C 0.774 177.706 176.870 0.103 0.000 1.015 2050 L CA -1.292 53.602 54.840 0.089 0.000 0.821 2050 L CB 1.886 44.020 42.059 0.125 0.000 1.370 2050 L HN 0.028 nan 8.230 nan 0.000 0.416 2051 L N 0.318 121.597 121.223 0.094 0.000 2.902 2051 L HA 0.564 4.897 4.340 -0.012 0.000 0.229 2051 L C -0.260 176.685 176.870 0.125 0.000 1.324 2051 L CA -0.736 54.152 54.840 0.079 0.000 1.230 2051 L CB 0.652 42.719 42.059 0.014 0.000 2.134 2051 L HN 0.721 nan 8.230 nan 0.000 0.567 2052 N N -1.706 117.022 118.700 0.046 0.000 6.535 2052 N HA -0.142 4.591 4.740 -0.012 0.000 0.409 2052 N C -0.414 175.166 175.510 0.117 0.000 0.975 2052 N CA 0.916 53.979 53.050 0.022 0.000 1.813 2052 N CB -0.716 37.771 38.487 -0.001 0.000 0.751 2052 N HN 0.913 nan 8.380 nan 0.000 0.467 2053 G N -0.846 108.000 108.800 0.077 0.000 2.398 2053 G HA2 0.335 4.288 3.960 -0.012 0.000 0.246 2053 G HA3 0.335 4.288 3.960 -0.012 0.000 0.246 2053 G C -0.953 174.000 174.900 0.088 0.000 1.289 2053 G CA 0.004 45.181 45.100 0.129 0.000 0.869 2053 G HN 0.573 nan 8.290 nan 0.000 0.543 2054 H N 1.293 120.358 119.070 -0.008 0.000 2.700 2054 H HA 0.290 4.861 4.556 0.025 0.000 0.269 2054 H C 0.389 175.742 175.328 0.042 0.000 1.222 2054 H CA -0.304 55.669 56.048 -0.125 0.000 1.254 2054 H CB 0.602 30.170 29.762 -0.324 0.000 1.413 2054 H HN 0.572 nan 8.280 nan 0.000 0.507 2055 E N 1.086 121.410 120.200 0.206 0.000 2.292 2055 E HA 0.512 4.855 4.350 -0.012 0.000 0.258 2055 E C 0.780 177.716 176.600 0.560 0.000 1.115 2055 E CA -0.256 56.390 56.400 0.410 0.000 0.929 2055 E CB 1.296 31.251 29.700 0.425 0.000 1.161 2055 E HN 0.707 nan 8.360 nan 0.000 0.453 2056 G N -0.011 109.172 108.800 0.638 0.000 2.569 2056 G HA2 0.007 3.960 3.960 -0.012 0.000 0.259 2056 G HA3 0.007 3.960 3.960 -0.012 0.000 0.259 2056 G C -0.730 174.267 174.900 0.161 0.000 1.263 2056 G CA -0.344 45.126 45.100 0.616 0.000 0.928 2056 G HN 0.902 nan 8.290 nan 0.000 0.572 2057 A N -0.620 122.196 122.820 -0.006 0.000 2.606 2057 A HA 0.897 5.210 4.320 -0.012 0.000 0.293 2057 A C -2.843 174.636 177.584 -0.175 0.000 1.082 2057 A CA -0.256 51.485 52.037 -0.494 0.000 0.685 2057 A CB 1.418 19.784 19.000 -1.058 0.000 1.284 2057 A HN 0.865 nan 8.150 nan 0.000 0.408 2058 P HA 0.420 nan 4.420 nan 0.000 0.271 2058 P C -0.794 176.489 177.300 -0.028 0.000 1.233 2058 P CA -0.043 63.004 63.100 -0.089 0.000 0.789 2058 P CB 0.333 31.905 31.700 -0.214 0.000 0.951 2059 L N 0.371 121.664 121.223 0.118 0.000 2.344 2059 L HA 0.582 4.915 4.340 -0.012 0.000 0.272 2059 L C -0.359 176.554 176.870 0.071 0.000 1.035 2059 L CA -1.025 53.917 54.840 0.170 0.000 0.807 2059 L CB 1.645 43.839 42.059 0.226 0.000 1.237 2059 L HN 0.031 nan 8.230 nan 0.000 0.442 2060 V N 2.793 122.728 119.914 0.035 0.000 2.525 2060 V HA 0.570 4.683 4.120 -0.012 0.000 0.299 2060 V C -0.750 175.310 176.094 -0.058 0.000 1.034 2060 V CA -0.595 61.635 62.300 -0.116 0.000 0.863 2060 V CB 2.409 34.001 31.823 -0.387 0.000 0.999 2060 V HN 0.466 nan 8.190 nan 0.000 0.423 2061 V N 3.816 123.690 119.914 -0.068 0.000 2.777 2061 V HA 0.578 4.691 4.120 -0.012 0.000 0.306 2061 V C -0.210 175.850 176.094 -0.057 0.000 1.112 2061 V CA -0.227 62.002 62.300 -0.118 0.000 0.917 2061 V CB 1.885 33.475 31.823 -0.389 0.000 1.018 2061 V HN 0.983 nan 8.190 nan 0.000 0.426 2062 D N 4.520 124.903 120.400 -0.029 0.000 2.708 2062 D HA -0.125 4.508 4.640 -0.012 0.000 0.236 2062 D C 1.051 177.349 176.300 -0.004 0.000 1.146 2062 D CA 2.299 56.304 54.000 0.009 0.000 0.662 2062 D CB -1.150 39.672 40.800 0.037 0.000 1.059 2062 D HN 2.104 nan 8.370 nan 0.000 0.428 2063 G N -0.472 108.314 108.800 -0.022 0.000 2.162 2063 G HA2 -0.341 3.612 3.960 -0.012 0.000 0.260 2063 G HA3 -0.341 3.612 3.960 -0.012 0.000 0.260 2063 G C 0.265 175.039 174.900 -0.210 0.000 0.976 2063 G CA 0.765 45.830 45.100 -0.059 0.000 0.655 2063 G HN 0.609 nan 8.290 nan 0.000 0.533 2064 K N -0.617 119.636 120.400 -0.244 0.000 2.375 2064 K HA 0.708 5.021 4.320 -0.012 0.000 0.249 2064 K C -0.266 176.037 176.600 -0.495 0.000 0.942 2064 K CA -0.885 55.157 56.287 -0.408 0.000 0.806 2064 K CB 2.130 34.343 32.500 -0.478 0.000 1.227 2064 K HN 0.150 nan 8.250 nan 0.000 0.430 2065 M N 2.830 122.099 119.600 -0.552 0.000 2.268 2065 M HA 0.363 4.836 4.480 -0.012 0.000 0.344 2065 M C -1.658 174.315 176.300 -0.544 0.000 1.106 2065 M CA -0.620 54.418 55.300 -0.436 0.000 1.010 2065 M CB 0.745 33.177 32.600 -0.279 0.000 1.649 2065 M HN 0.558 nan 8.290 nan 0.000 0.443 2066 Y N 5.324 125.543 120.300 -0.135 0.000 2.328 2066 Y HA 0.534 5.077 4.550 -0.013 0.000 0.337 2066 Y C -0.502 175.419 175.900 0.035 0.000 0.966 2066 Y CA -0.547 57.501 58.100 -0.087 0.000 1.136 2066 Y CB 1.045 39.495 38.460 -0.017 0.000 1.170 2066 Y HN 0.522 nan 8.280 nan 0.000 0.470 2067 I N 4.926 125.607 120.570 0.185 0.000 2.441 2067 I HA 0.306 4.469 4.170 -0.012 0.000 0.295 2067 I C -0.327 176.008 176.117 0.364 0.000 0.994 2067 I CA -0.725 60.752 61.300 0.294 0.000 1.144 2067 I CB 1.260 39.371 38.000 0.185 0.000 1.314 2067 I HN 0.663 nan 8.210 nan 0.000 0.445 2068 H N 3.265 122.497 119.070 0.269 0.000 2.771 2068 H HA 0.745 5.301 4.556 -0.001 0.000 0.367 2068 H C -1.152 174.189 175.328 0.020 0.000 1.172 2068 H CA -0.672 55.466 56.048 0.150 0.000 1.186 2068 H CB 1.997 31.846 29.762 0.145 0.000 1.790 2068 H HN 0.577 nan 8.280 nan 0.000 0.556 2069 T N -1.357 113.156 114.554 -0.069 0.000 2.858 2069 T HA 0.433 4.776 4.350 -0.012 0.000 0.285 2069 T C 0.271 174.809 174.700 -0.271 0.000 1.052 2069 T CA -0.336 61.607 62.100 -0.262 0.000 1.009 2069 T CB 0.938 69.792 68.868 -0.023 0.000 1.241 2069 T HN 0.847 nan 8.240 nan 0.000 0.542 2070 S N 0.192 115.610 115.700 -0.470 0.000 2.617 2070 S HA 0.368 4.831 4.470 -0.012 0.000 0.255 2070 S C 0.089 174.691 174.600 0.004 0.000 1.318 2070 S CA -0.888 57.194 58.200 -0.197 0.000 0.978 2070 S CB -0.519 62.548 63.200 -0.222 0.000 0.961 2070 S HN 0.726 nan 8.310 nan 0.000 0.582 2071 F N 2.714 122.641 119.950 -0.039 0.000 2.629 2071 F HA 0.215 4.732 4.527 -0.017 0.000 0.377 2071 F C -1.335 174.465 175.800 0.001 0.000 1.101 2071 F CA -1.507 56.490 58.000 -0.004 0.000 1.301 2071 F CB 0.476 39.485 39.000 0.014 0.000 1.062 2071 F HN 0.407 nan 8.300 nan 0.000 0.583 2072 P HA 0.080 nan 4.420 nan 0.000 0.249 2072 P C -1.231 175.835 177.300 -0.390 0.000 1.593 2072 P CA 0.102 62.595 63.100 -1.012 0.000 0.896 2072 P CB -0.510 30.637 31.700 -0.922 0.000 1.581 2073 N N -0.527 118.074 118.700 -0.165 0.000 2.753 2073 N HA -0.149 4.584 4.740 -0.012 0.000 0.252 2073 N C -0.716 174.755 175.510 -0.064 0.000 1.071 2073 N CA 0.225 53.245 53.050 -0.050 0.000 0.690 2073 N CB -2.047 36.435 38.487 -0.009 0.000 0.906 2073 N HN 0.447 nan 8.380 nan 0.000 0.552 2074 N N 0.021 118.673 118.700 -0.080 0.000 2.513 2074 N HA 0.422 5.155 4.740 -0.012 0.000 0.274 2074 N C -0.501 174.912 175.510 -0.161 0.000 1.189 2074 N CA -0.028 52.922 53.050 -0.167 0.000 0.975 2074 N CB 0.845 39.189 38.487 -0.238 0.000 1.157 2074 N HN 0.066 nan 8.380 nan 0.000 0.465 2075 T N 1.501 115.898 114.554 -0.261 0.000 2.861 2075 T HA 0.495 4.838 4.350 -0.012 0.000 0.287 2075 T C -1.078 173.384 174.700 -0.396 0.000 1.003 2075 T CA -0.474 61.555 62.100 -0.119 0.000 0.977 2075 T CB 0.508 69.471 68.868 0.157 0.000 0.996 2075 T HN 0.211 nan 8.240 nan 0.000 0.448 2076 F N 1.180 121.090 119.950 -0.068 0.000 2.551 2076 F HA 0.736 5.258 4.527 -0.008 0.000 0.316 2076 F C 0.202 175.651 175.800 -0.584 0.000 1.089 2076 F CA -1.126 56.714 58.000 -0.267 0.000 0.915 2076 F CB 1.717 40.624 39.000 -0.155 0.000 1.186 2076 F HN 0.650 nan 8.300 nan 0.000 0.456 2077 A N 4.214 126.593 122.820 -0.734 0.000 2.318 2077 A HA 0.877 5.190 4.320 -0.012 0.000 0.317 2077 A C -1.253 175.958 177.584 -0.620 0.000 1.159 2077 A CA -0.583 50.905 52.037 -0.915 0.000 0.799 2077 A CB 0.707 18.861 19.000 -1.411 0.000 1.194 2077 A HN 0.779 nan 8.150 nan 0.000 0.479 2078 L N 2.287 123.157 121.223 -0.589 0.000 2.362 2078 L HA 0.662 4.995 4.340 -0.012 0.000 0.271 2078 L C 0.702 177.303 176.870 -0.448 0.000 1.002 2078 L CA -0.915 53.641 54.840 -0.473 0.000 0.818 2078 L CB 2.228 43.988 42.059 -0.498 0.000 1.298 2078 L HN 0.805 nan 8.230 nan 0.000 0.420 2079 G N 1.791 110.374 108.800 -0.362 0.000 2.339 2079 G HA2 0.430 4.383 3.960 -0.012 0.000 0.287 2079 G HA3 0.430 4.383 3.960 -0.012 0.000 0.287 2079 G C 0.714 175.368 174.900 -0.410 0.000 1.163 2079 G CA -0.487 44.417 45.100 -0.327 0.000 0.872 2079 G HN 0.666 nan 8.290 nan 0.000 0.464 2080 L N 1.598 122.545 121.223 -0.460 0.000 2.275 2080 L HA -0.032 4.301 4.340 -0.012 0.000 0.215 2080 L C 1.786 178.341 176.870 -0.525 0.000 1.119 2080 L CA 0.620 55.090 54.840 -0.617 0.000 0.790 2080 L CB 0.001 41.529 42.059 -0.885 0.000 0.919 2080 L HN 0.411 nan 8.230 nan 0.000 0.443 2081 D N -0.514 119.707 120.400 -0.298 0.000 2.312 2081 D HA -0.092 4.541 4.640 -0.012 0.000 0.211 2081 D C 0.382 176.489 176.300 -0.320 0.000 0.964 2081 D CA 1.050 54.934 54.000 -0.194 0.000 0.877 2081 D CB 0.173 40.942 40.800 -0.051 0.000 0.924 2081 D HN 0.181 nan 8.370 nan 0.000 0.515 2082 D N -1.002 119.189 120.400 -0.348 0.000 3.118 2082 D HA 0.074 4.707 4.640 -0.012 0.000 0.259 2082 D C -2.113 174.028 176.300 -0.266 0.000 1.292 2082 D CA -1.097 52.752 54.000 -0.250 0.000 0.784 2082 D CB 0.974 41.727 40.800 -0.079 0.000 1.413 2082 D HN -0.117 nan 8.370 nan 0.000 0.583 2083 P HA 0.067 nan 4.420 nan 0.000 0.234 2083 P C 1.460 178.613 177.300 -0.245 0.000 1.167 2083 P CA 0.317 63.079 63.100 -0.563 0.000 0.763 2083 P CB 0.249 31.169 31.700 -1.299 0.000 0.835 2084 G N -0.106 108.672 108.800 -0.037 0.000 2.448 2084 G HA2 -0.116 3.837 3.960 -0.012 0.000 0.219 2084 G HA3 -0.116 3.837 3.960 -0.012 0.000 0.219 2084 G C 0.586 175.489 174.900 0.006 0.000 1.127 2084 G CA 0.555 45.668 45.100 0.022 0.000 0.766 2084 G HN 0.249 nan 8.290 nan 0.000 0.552 2085 T N 1.390 115.928 114.554 -0.025 0.000 2.749 2085 T HA 0.431 4.774 4.350 -0.012 0.000 0.295 2085 T C 0.196 174.870 174.700 -0.044 0.000 0.936 2085 T CA -0.230 61.860 62.100 -0.017 0.000 1.060 2085 T CB 1.299 70.157 68.868 -0.017 0.000 0.904 2085 T HN 0.029 nan 8.240 nan 0.000 0.500 2086 I N 5.029 125.603 120.570 0.006 0.000 2.379 2086 I HA 0.116 4.279 4.170 -0.012 0.000 0.290 2086 I C 1.425 177.546 176.117 0.006 0.000 1.063 2086 I CA -0.256 61.045 61.300 0.003 0.000 1.351 2086 I CB 0.823 38.895 38.000 0.121 0.000 1.410 2086 I HN 0.622 nan 8.210 nan 0.000 0.505 2087 L N 6.944 128.123 121.223 -0.074 0.000 2.056 2087 L HA 0.005 4.338 4.340 -0.012 0.000 0.207 2087 L C 0.524 177.491 176.870 0.161 0.000 1.078 2087 L CA 1.098 55.936 54.840 -0.004 0.000 0.749 2087 L CB -0.203 41.801 42.059 -0.091 0.000 0.901 2087 L HN 0.678 nan 8.230 nan 0.000 0.433 2088 W N -0.195 121.141 121.300 0.060 0.000 3.153 2088 W HA 0.501 5.156 4.660 -0.008 0.000 0.316 2088 W C -1.904 174.663 176.519 0.081 0.000 1.255 2088 W CA -0.954 56.429 57.345 0.065 0.000 1.192 2088 W CB 0.835 30.325 29.460 0.049 0.000 1.400 2088 W HN -0.103 nan 8.180 nan 0.000 0.568 2089 Q N 1.439 121.531 119.800 0.485 0.000 2.315 2089 Q HA 0.453 4.786 4.340 -0.012 0.000 0.273 2089 Q C -2.067 174.075 176.000 0.236 0.000 1.053 2089 Q CA -0.752 55.194 55.803 0.238 0.000 0.817 2089 Q CB 3.299 32.094 28.738 0.096 0.000 1.326 2089 Q HN 0.376 nan 8.270 nan 0.000 0.423 2090 D N 1.534 122.015 120.400 0.135 0.000 2.344 2090 D HA 0.259 4.892 4.640 -0.012 0.000 0.239 2090 D C -1.137 175.117 176.300 -0.076 0.000 1.064 2090 D CA -0.447 53.575 54.000 0.038 0.000 0.829 2090 D CB 1.062 41.899 40.800 0.062 0.000 1.129 2090 D HN 0.348 nan 8.370 nan 0.000 0.506 2091 K N 4.826 125.184 120.400 -0.070 0.000 2.540 2091 K HA 0.335 4.648 4.320 -0.012 0.000 0.218 2091 K C -2.386 174.163 176.600 -0.084 0.000 1.017 2091 K CA -1.619 54.614 56.287 -0.091 0.000 1.029 2091 K CB 1.464 33.924 32.500 -0.066 0.000 1.348 2091 K HN 0.379 nan 8.250 nan 0.000 0.508 2092 P HA -0.010 nan 4.420 nan 0.000 0.266 2092 P C -0.451 176.788 177.300 -0.102 0.000 1.195 2092 P CA 0.028 63.073 63.100 -0.093 0.000 0.768 2092 P CB 0.454 32.094 31.700 -0.101 0.000 0.838 2093 K N 2.713 123.073 120.400 -0.065 0.000 2.253 2093 K HA 0.359 4.672 4.320 -0.012 0.000 0.277 2093 K C -0.037 176.548 176.600 -0.024 0.000 1.053 2093 K CA -0.500 55.758 56.287 -0.047 0.000 0.892 2093 K CB 0.096 32.582 32.500 -0.024 0.000 1.102 2093 K HN 0.581 nan 8.250 nan 0.000 0.469 2094 Q N 1.126 120.922 119.800 -0.007 0.000 2.423 2094 Q HA 0.305 4.638 4.340 -0.012 0.000 0.278 2094 Q C -0.837 175.248 176.000 0.142 0.000 1.097 2094 Q CA -1.413 54.436 55.803 0.077 0.000 0.809 2094 Q CB 1.848 30.667 28.738 0.135 0.000 1.391 2094 Q HN 0.710 nan 8.270 nan 0.000 0.428 2095 N N 2.424 121.205 118.700 0.136 0.000 2.440 2095 N HA 0.028 4.761 4.740 -0.012 0.000 0.265 2095 N C -1.803 173.805 175.510 0.163 0.000 1.239 2095 N CA -1.164 51.956 53.050 0.116 0.000 0.909 2095 N CB 0.836 39.365 38.487 0.070 0.000 1.066 2095 N HN 0.329 nan 8.380 nan 0.000 0.474 2096 P HA -0.068 nan 4.420 nan 0.000 0.223 2096 P C 0.605 177.913 177.300 0.013 0.000 1.144 2096 P CA 0.769 63.948 63.100 0.131 0.000 0.783 2096 P CB 0.067 31.831 31.700 0.106 0.000 0.771 2097 A N 0.211 123.036 122.820 0.009 0.000 2.172 2097 A HA 0.033 4.346 4.320 -0.012 0.000 0.216 2097 A C 2.263 179.806 177.584 -0.070 0.000 1.154 2097 A CA 1.385 53.405 52.037 -0.027 0.000 0.701 2097 A CB -1.209 17.782 19.000 -0.016 0.000 0.789 2097 A HN 0.219 nan 8.150 nan 0.000 0.465 2098 A N 0.243 123.010 122.820 -0.088 0.000 2.019 2098 A HA -0.161 4.152 4.320 -0.012 0.000 0.219 2098 A C 2.172 179.604 177.584 -0.253 0.000 1.164 2098 A CA 1.337 53.287 52.037 -0.145 0.000 0.644 2098 A CB -0.424 18.521 19.000 -0.092 0.000 0.805 2098 A HN 0.582 nan 8.150 nan 0.000 0.449 2099 R N -0.562 119.731 120.500 -0.345 0.000 2.120 2099 R HA -0.075 4.258 4.340 -0.012 0.000 0.234 2099 R C 2.215 178.436 176.300 -0.132 0.000 1.123 2099 R CA 1.141 57.061 56.100 -0.299 0.000 0.975 2099 R CB -0.382 29.760 30.300 -0.263 0.000 0.866 2099 R HN 0.497 nan 8.270 nan 0.000 0.446 2100 A N 0.792 123.557 122.820 -0.092 0.000 2.167 2100 A HA -0.025 4.288 4.320 -0.012 0.000 0.214 2100 A C 1.823 179.407 177.584 0.000 0.000 1.151 2100 A CA 0.911 52.928 52.037 -0.033 0.000 0.735 2100 A CB 0.105 19.091 19.000 -0.024 0.000 0.802 2100 A HN 0.228 nan 8.150 nan 0.000 0.467 2101 V N -4.225 115.644 119.914 -0.075 0.000 3.319 2101 V HA 0.655 4.768 4.120 -0.012 0.000 0.317 2101 V C 0.681 176.698 176.094 -0.128 0.000 1.411 2101 V CA -0.203 61.996 62.300 -0.167 0.000 1.112 2101 V CB -0.734 30.963 31.823 -0.209 0.000 1.031 2101 V HN 0.460 nan 8.190 nan 0.000 0.448 2102 A N 0.471 123.260 122.820 -0.051 0.000 2.354 2102 A HA 0.430 4.743 4.320 -0.012 0.000 0.281 2102 A C 1.424 179.031 177.584 0.038 0.000 1.174 2102 A CA 0.290 52.305 52.037 -0.037 0.000 0.828 2102 A CB 0.269 19.240 19.000 -0.048 0.000 1.099 2102 A HN 0.991 nan 8.150 nan 0.000 0.516 2103 C N 0.201 119.506 119.300 0.008 0.000 2.457 2103 C HA 0.044 4.497 4.460 -0.012 0.000 0.278 2103 C C 1.188 176.105 174.990 -0.121 0.000 1.309 2103 C CA 0.732 59.761 59.018 0.017 0.000 1.735 2103 C CB -1.507 26.196 27.740 -0.063 0.000 1.992 2103 C HN 0.717 nan 8.230 nan 0.000 0.493 2104 C N 1.562 120.797 119.300 -0.108 0.000 3.151 2104 C HA 0.512 4.965 4.460 -0.012 0.000 0.249 2104 C C -0.533 174.497 174.990 0.066 0.000 2.249 2104 C CA -0.237 58.722 59.018 -0.098 0.000 1.517 2104 C CB -2.260 25.339 27.740 -0.235 0.000 2.989 2104 C HN 0.823 nan 8.230 nan 0.000 0.476 2105 D N 0.067 120.558 120.400 0.153 0.000 10.697 2105 D HA -0.141 4.492 4.640 -0.012 0.000 0.348 2105 D C -0.296 176.080 176.300 0.127 0.000 3.134 2105 D CA 0.261 54.394 54.000 0.222 0.000 2.641 2105 D CB -0.201 40.705 40.800 0.176 0.000 1.229 2105 D HN 0.335 nan 8.370 nan 0.000 0.945 2106 L N 1.097 122.389 121.223 0.116 0.000 2.955 2106 L HA 0.239 4.572 4.340 -0.012 0.000 0.238 2106 L C 0.803 177.729 176.870 0.094 0.000 1.359 2106 L CA -0.631 54.263 54.840 0.089 0.000 1.214 2106 L CB -0.880 41.240 42.059 0.101 0.000 1.600 2106 L HN 0.302 nan 8.230 nan 0.000 0.442 2107 V N -2.850 117.118 119.914 0.090 0.000 3.036 2107 V HA 0.481 4.594 4.120 -0.012 0.000 0.308 2107 V C -0.018 176.147 176.094 0.119 0.000 1.070 2107 V CA -0.623 61.736 62.300 0.099 0.000 1.056 2107 V CB 1.861 33.774 31.823 0.151 0.000 1.084 2107 V HN 0.452 nan 8.190 nan 0.000 0.471 2108 N N 1.487 120.279 118.700 0.154 0.000 2.369 2108 N HA 0.397 5.130 4.740 -0.012 0.000 0.287 2108 N C 0.024 175.705 175.510 0.286 0.000 1.067 2108 N CA -0.679 52.486 53.050 0.191 0.000 0.888 2108 N CB 2.599 41.198 38.487 0.187 0.000 1.616 2108 N HN 0.733 nan 8.380 nan 0.000 0.482 2109 R N 1.448 122.069 120.500 0.201 0.000 2.317 2109 R HA 0.280 4.613 4.340 -0.012 0.000 0.208 2109 R C 0.804 177.237 176.300 0.221 0.000 0.914 2109 R CA 0.342 56.608 56.100 0.278 0.000 1.060 2109 R CB 0.200 30.524 30.300 0.040 0.000 1.015 2109 R HN 0.755 nan 8.270 nan 0.000 0.498 2110 G N 0.184 108.865 108.800 -0.198 0.000 2.343 2110 G HA2 -0.071 3.882 3.960 -0.012 0.000 0.465 2110 G HA3 -0.071 3.882 3.960 -0.012 0.000 0.465 2110 G C -1.267 173.518 174.900 -0.192 0.000 1.282 2110 G CA -1.108 43.630 45.100 -0.603 0.000 0.996 2110 G HN -0.005 nan 8.290 nan 0.000 0.521 2111 L N 0.164 121.362 121.223 -0.041 0.000 2.352 2111 L HA 0.850 5.183 4.340 -0.012 0.000 0.269 2111 L C 0.884 177.859 176.870 0.174 0.000 1.034 2111 L CA -0.438 54.452 54.840 0.082 0.000 0.806 2111 L CB 1.613 43.743 42.059 0.119 0.000 1.244 2111 L HN 1.249 nan 8.230 nan 0.000 0.447 2112 A N 0.680 123.593 122.820 0.154 0.000 2.435 2112 A HA 0.744 5.057 4.320 -0.012 0.000 0.296 2112 A C -2.000 175.695 177.584 0.185 0.000 1.147 2112 A CA -0.395 51.752 52.037 0.183 0.000 0.775 2112 A CB 1.639 20.740 19.000 0.169 0.000 1.340 2112 A HN 0.591 nan 8.150 nan 0.000 0.427 2113 Y N -0.870 119.458 120.300 0.046 0.000 2.421 2113 Y HA 0.549 5.092 4.550 -0.012 0.000 0.339 2113 Y C -1.670 174.300 175.900 0.116 0.000 0.996 2113 Y CA -0.908 57.211 58.100 0.032 0.000 1.046 2113 Y CB 1.623 40.074 38.460 -0.015 0.000 1.226 2113 Y HN 0.820 nan 8.280 nan 0.000 0.445 2114 W N 10.247 131.211 121.300 -0.560 0.000 2.471 2114 W HA 0.534 5.186 4.660 -0.013 0.000 0.318 2114 W C -2.360 173.734 176.519 -0.709 0.000 1.034 2114 W CA -2.765 54.308 57.345 -0.453 0.000 1.224 2114 W CB 1.985 31.308 29.460 -0.229 0.000 1.335 2114 W HN 0.433 nan 8.180 nan 0.000 0.452 2115 P HA 0.188 nan 4.420 nan 0.000 0.245 2115 P C 0.328 177.131 177.300 -0.828 0.000 1.212 2115 P CA 0.997 63.628 63.100 -0.782 0.000 0.774 2115 P CB 0.249 31.720 31.700 -0.382 0.000 0.999 2116 G N 0.656 108.537 108.800 -1.532 0.000 2.690 2116 G HA2 -0.016 3.937 3.960 -0.012 0.000 0.686 2116 G HA3 -0.016 3.937 3.960 -0.012 0.000 0.686 2116 G C -0.924 173.457 174.900 -0.867 0.000 1.277 2116 G CA -0.203 44.258 45.100 -1.066 0.000 0.799 2116 G HN 0.242 nan 8.290 nan 0.000 0.613 2117 D N -0.256 119.953 120.400 -0.318 0.000 3.625 2117 D HA 0.575 5.208 4.640 -0.012 0.000 0.181 2117 D C 1.277 177.568 176.300 -0.016 0.000 1.109 2117 D CA 0.490 54.425 54.000 -0.109 0.000 1.379 2117 D CB -0.197 40.675 40.800 0.119 0.000 1.015 2117 D HN 1.341 nan 8.370 nan 0.000 0.231 2118 G N -1.851 106.977 108.800 0.046 0.000 4.975 2118 G HA2 0.544 4.497 3.960 -0.012 0.000 0.312 2118 G HA3 0.544 4.497 3.960 -0.012 0.000 0.312 2118 G C 0.330 175.261 174.900 0.052 0.000 1.425 2118 G CA 0.264 45.387 45.100 0.038 0.000 1.076 2118 G HN 0.646 nan 8.290 nan 0.000 0.586 2119 K N -0.985 119.453 120.400 0.064 0.000 2.172 2119 K HA -0.028 4.285 4.320 -0.012 0.000 0.112 2119 K C 0.394 177.049 176.600 0.091 0.000 1.898 2119 K CA 0.608 56.933 56.287 0.064 0.000 0.882 2119 K CB -1.267 31.266 32.500 0.054 0.000 2.510 2119 K HN 0.501 nan 8.250 nan 0.000 0.570 2120 T N 3.918 118.563 114.554 0.152 0.000 2.771 2120 T HA 0.630 4.973 4.350 -0.012 0.000 0.281 2120 T C -2.660 172.172 174.700 0.220 0.000 0.982 2120 T CA -1.109 61.111 62.100 0.201 0.000 0.978 2120 T CB 2.280 71.313 68.868 0.274 0.000 0.930 2120 T HN 0.368 nan 8.240 nan 0.000 0.447 2121 P HA 0.399 nan 4.420 nan 0.000 0.276 2121 P C -0.576 176.798 177.300 0.122 0.000 1.261 2121 P CA -0.621 62.535 63.100 0.093 0.000 0.800 2121 P CB 0.513 32.246 31.700 0.054 0.000 1.066 2122 A N 1.309 124.139 122.820 0.016 0.000 2.520 2122 A HA 0.349 4.662 4.320 -0.012 0.000 0.235 2122 A C 0.089 177.673 177.584 0.001 0.000 1.065 2122 A CA 0.161 52.159 52.037 -0.064 0.000 0.764 2122 A CB -0.727 18.211 19.000 -0.104 0.000 1.002 2122 A HN 0.493 nan 8.150 nan 0.000 0.502 2123 L N 2.389 123.590 121.223 -0.037 0.000 2.381 2123 L HA 0.454 4.787 4.340 -0.012 0.000 0.268 2123 L C -0.599 176.230 176.870 -0.067 0.000 0.997 2123 L CA -0.797 54.023 54.840 -0.033 0.000 0.818 2123 L CB 1.745 43.806 42.059 0.004 0.000 1.310 2123 L HN 0.487 nan 8.230 nan 0.000 0.416 2124 I N 3.967 124.510 120.570 -0.046 0.000 2.331 2124 I HA 0.304 4.467 4.170 -0.012 0.000 0.292 2124 I C -0.303 175.769 176.117 -0.075 0.000 0.998 2124 I CA -0.389 60.900 61.300 -0.018 0.000 1.267 2124 I CB 1.574 39.599 38.000 0.040 0.000 1.386 2124 I HN 0.288 nan 8.210 nan 0.000 0.476 2125 L N 7.182 128.377 121.223 -0.047 0.000 2.307 2125 L HA 0.516 4.849 4.340 -0.012 0.000 0.284 2125 L C 0.089 176.936 176.870 -0.038 0.000 1.023 2125 L CA -0.522 54.264 54.840 -0.091 0.000 0.810 2125 L CB 1.408 43.439 42.059 -0.047 0.000 1.231 2125 L HN 0.637 nan 8.230 nan 0.000 0.423 2126 K N 0.395 120.750 120.400 -0.075 0.000 2.508 2126 K HA 0.730 5.043 4.320 -0.012 0.000 0.260 2126 K C -0.684 175.901 176.600 -0.026 0.000 0.949 2126 K CA -0.695 55.576 56.287 -0.027 0.000 0.834 2126 K CB 2.248 34.739 32.500 -0.015 0.000 1.365 2126 K HN 0.519 nan 8.250 nan 0.000 0.437 2127 T N -0.642 113.918 114.554 0.011 0.000 2.945 2127 T HA 0.409 4.752 4.350 -0.012 0.000 0.286 2127 T C -0.387 174.334 174.700 0.035 0.000 1.025 2127 T CA -0.785 61.330 62.100 0.025 0.000 1.039 2127 T CB 1.446 70.343 68.868 0.048 0.000 1.068 2127 T HN 0.635 nan 8.240 nan 0.000 0.497 2128 Q N 0.565 120.392 119.800 0.045 0.000 2.394 2128 Q HA 0.421 4.754 4.340 -0.012 0.000 0.273 2128 Q C 0.479 176.543 176.000 0.107 0.000 1.089 2128 Q CA -0.958 54.888 55.803 0.071 0.000 0.812 2128 Q CB 2.562 31.329 28.738 0.048 0.000 1.353 2128 Q HN 0.554 nan 8.270 nan 0.000 0.438 2129 L N 2.319 123.650 121.223 0.179 0.000 2.081 2129 L HA -0.231 4.102 4.340 -0.012 0.000 0.212 2129 L C 1.581 178.518 176.870 0.113 0.000 1.080 2129 L CA 2.417 57.352 54.840 0.159 0.000 0.754 2129 L CB -0.273 41.922 42.059 0.225 0.000 0.893 2129 L HN 0.829 nan 8.230 nan 0.000 0.433 2130 D N -1.319 119.171 120.400 0.150 0.000 2.392 2130 D HA 0.050 4.683 4.640 -0.012 0.000 0.228 2130 D C 1.594 177.935 176.300 0.068 0.000 1.003 2130 D CA 0.839 54.900 54.000 0.101 0.000 0.917 2130 D CB -0.426 40.447 40.800 0.121 0.000 0.890 2130 D HN 0.451 nan 8.370 nan 0.000 0.532 2131 G N -0.556 108.282 108.800 0.064 0.000 2.176 2131 G HA2 -0.260 3.693 3.960 -0.012 0.000 0.232 2131 G HA3 -0.260 3.693 3.960 -0.012 0.000 0.232 2131 G C 0.092 175.025 174.900 0.055 0.000 0.986 2131 G CA -0.126 45.008 45.100 0.058 0.000 0.643 2131 G HN 0.429 nan 8.290 nan 0.000 0.522 2132 N N -0.003 118.723 118.700 0.044 0.000 2.513 2132 N HA 0.482 5.215 4.740 -0.012 0.000 0.274 2132 N C -0.177 175.339 175.510 0.010 0.000 1.189 2132 N CA 0.207 53.273 53.050 0.026 0.000 0.975 2132 N CB 1.974 40.471 38.487 0.015 0.000 1.157 2132 N HN 0.115 nan 8.380 nan 0.000 0.465 2133 V N 0.687 120.596 119.914 -0.008 0.000 2.495 2133 V HA 0.702 4.815 4.120 -0.012 0.000 0.298 2133 V C -0.160 175.880 176.094 -0.089 0.000 1.031 2133 V CA -0.766 61.513 62.300 -0.035 0.000 0.871 2133 V CB 1.325 33.127 31.823 -0.036 0.000 0.988 2133 V HN 0.806 nan 8.190 nan 0.000 0.432 2134 A N 3.483 126.161 122.820 -0.235 0.000 2.435 2134 A HA 0.962 5.275 4.320 -0.012 0.000 0.304 2134 A C -0.381 176.777 177.584 -0.710 0.000 1.064 2134 A CA -0.433 51.342 52.037 -0.437 0.000 0.727 2134 A CB 1.828 20.674 19.000 -0.257 0.000 1.284 2134 A HN 1.356 nan 8.150 nan 0.000 0.415 2135 A N 2.029 124.165 122.820 -1.140 0.000 2.271 2135 A HA 0.689 5.002 4.320 -0.012 0.000 0.317 2135 A C -0.618 176.619 177.584 -0.579 0.000 1.245 2135 A CA -0.325 51.134 52.037 -0.964 0.000 0.857 2135 A CB 0.082 18.211 19.000 -1.450 0.000 1.175 2135 A HN 0.792 nan 8.150 nan 0.000 0.512 2136 L N 2.501 123.501 121.223 -0.371 0.000 2.317 2136 L HA 0.374 4.707 4.340 -0.012 0.000 0.281 2136 L C 0.498 177.210 176.870 -0.263 0.000 1.024 2136 L CA -1.055 53.597 54.840 -0.314 0.000 0.810 2136 L CB 1.365 43.253 42.059 -0.284 0.000 1.240 2136 L HN 0.763 nan 8.230 nan 0.000 0.427 2137 N N 1.774 120.306 118.700 -0.280 0.000 2.414 2137 N HA -0.015 4.718 4.740 -0.012 0.000 0.268 2137 N C 0.738 176.148 175.510 -0.168 0.000 1.286 2137 N CA 0.400 53.334 53.050 -0.194 0.000 0.896 2137 N CB 1.684 40.058 38.487 -0.188 0.000 1.093 2137 N HN 0.829 nan 8.380 nan 0.000 0.480 2138 A N 4.024 126.860 122.820 0.027 0.000 2.019 2138 A HA -0.148 4.165 4.320 -0.012 0.000 0.219 2138 A C 1.929 179.783 177.584 0.449 0.000 1.164 2138 A CA 1.326 53.522 52.037 0.265 0.000 0.644 2138 A CB -0.247 18.922 19.000 0.281 0.000 0.805 2138 A HN 0.875 nan 8.150 nan 0.000 0.449 2139 E N -0.878 119.463 120.200 0.235 0.000 2.122 2139 E HA -0.101 4.242 4.350 -0.012 0.000 0.190 2139 E C 1.869 178.556 176.600 0.145 0.000 0.977 2139 E CA 1.443 57.994 56.400 0.253 0.000 0.820 2139 E CB 0.133 29.915 29.700 0.138 0.000 0.770 2139 E HN 0.719 nan 8.360 nan 0.000 0.462 2140 T N -4.521 109.920 114.554 -0.188 0.000 2.971 2140 T HA 0.298 4.641 4.350 -0.012 0.000 0.252 2140 T C 1.430 175.568 174.700 -0.935 0.000 1.022 2140 T CA 0.601 62.490 62.100 -0.352 0.000 0.980 2140 T CB 0.946 69.695 68.868 -0.199 0.000 1.044 2140 T HN 0.251 nan 8.240 nan 0.000 0.501 2141 G N 1.732 109.603 108.800 -1.548 0.000 2.184 2141 G HA2 -0.232 3.721 3.960 -0.012 0.000 0.264 2141 G HA3 -0.232 3.721 3.960 -0.012 0.000 0.264 2141 G C -0.107 174.332 174.900 -0.769 0.000 0.975 2141 G CA 0.148 44.163 45.100 -1.808 0.000 0.642 2141 G HN 0.629 nan 8.290 nan 0.000 0.536 2142 E N 1.169 121.078 120.200 -0.484 0.000 2.398 2142 E HA 0.304 4.647 4.350 -0.012 0.000 0.263 2142 E C 0.383 176.825 176.600 -0.264 0.000 1.046 2142 E CA 0.213 56.440 56.400 -0.288 0.000 0.908 2142 E CB 0.505 30.085 29.700 -0.199 0.000 0.963 2142 E HN 0.195 nan 8.360 nan 0.000 0.431 2143 T N 1.964 116.396 114.554 -0.203 0.000 2.834 2143 T HA 0.104 4.447 4.350 -0.012 0.000 0.298 2143 T C 1.390 175.991 174.700 -0.166 0.000 0.966 2143 T CA -0.358 61.623 62.100 -0.199 0.000 1.141 2143 T CB 0.783 69.561 68.868 -0.149 0.000 0.905 2143 T HN 0.196 nan 8.240 nan 0.000 0.535 2144 V N 3.259 123.044 119.914 -0.215 0.000 2.575 2144 V HA 0.230 4.343 4.120 -0.012 0.000 0.242 2144 V C 0.425 176.521 176.094 0.004 0.000 1.045 2144 V CA 0.702 62.927 62.300 -0.126 0.000 1.065 2144 V CB -0.033 31.694 31.823 -0.161 0.000 0.717 2144 V HN 0.923 nan 8.190 nan 0.000 0.467 2145 W N -0.569 120.665 121.300 -0.110 0.000 3.146 2145 W HA 0.718 5.373 4.660 -0.009 0.000 0.319 2145 W C -1.322 175.119 176.519 -0.128 0.000 1.258 2145 W CA -1.081 56.194 57.345 -0.117 0.000 1.189 2145 W CB 1.707 31.088 29.460 -0.132 0.000 1.412 2145 W HN -0.121 nan 8.180 nan 0.000 0.567 2146 K N 2.029 122.608 120.400 0.299 0.000 2.565 2146 K HA 0.530 4.843 4.320 -0.012 0.000 0.251 2146 K C -1.554 175.135 176.600 0.149 0.000 0.956 2146 K CA -0.507 55.876 56.287 0.160 0.000 0.809 2146 K CB 2.533 35.042 32.500 0.016 0.000 1.267 2146 K HN 0.584 nan 8.250 nan 0.000 0.438 2147 V N -0.423 119.552 119.914 0.103 0.000 3.040 2147 V HA 0.575 4.688 4.120 -0.012 0.000 0.312 2147 V C -0.876 175.214 176.094 -0.006 0.000 1.115 2147 V CA -0.957 61.340 62.300 -0.005 0.000 0.998 2147 V CB 1.872 33.607 31.823 -0.146 0.000 1.042 2147 V HN 0.814 nan 8.190 nan 0.000 0.433 2148 E N 1.869 122.078 120.200 0.016 0.000 2.152 2148 E HA 0.274 4.617 4.350 -0.012 0.000 0.285 2148 E C 0.046 176.701 176.600 0.091 0.000 1.043 2148 E CA 0.025 56.452 56.400 0.046 0.000 0.839 2148 E CB 1.358 31.086 29.700 0.045 0.000 1.069 2148 E HN 0.822 nan 8.360 nan 0.000 0.399 2149 N N 1.469 120.239 118.700 0.117 0.000 2.428 2149 N HA -0.006 4.727 4.740 -0.012 0.000 0.181 2149 N C -0.471 175.177 175.510 0.229 0.000 1.028 2149 N CA 0.409 53.582 53.050 0.205 0.000 0.877 2149 N CB 0.702 39.308 38.487 0.198 0.000 1.064 2149 N HN 0.164 nan 8.380 nan 0.000 0.434 2150 S N -0.447 115.349 115.700 0.160 0.000 2.542 2150 S HA 0.268 4.731 4.470 -0.012 0.000 0.293 2150 S C -1.810 172.855 174.600 0.107 0.000 1.089 2150 S CA -0.787 57.509 58.200 0.160 0.000 0.961 2150 S CB 1.942 65.197 63.200 0.091 0.000 1.062 2150 S HN 0.168 nan 8.310 nan 0.000 0.483 2151 D N 1.926 122.386 120.400 0.099 0.000 2.414 2151 D HA 0.283 4.916 4.640 -0.012 0.000 0.232 2151 D C 1.253 177.572 176.300 0.033 0.000 1.070 2151 D CA -0.831 53.205 54.000 0.059 0.000 0.839 2151 D CB 0.660 41.493 40.800 0.055 0.000 1.079 2151 D HN 0.559 nan 8.370 nan 0.000 0.521 2152 I N 1.068 121.647 120.570 0.016 0.000 2.567 2152 I HA -0.148 4.015 4.170 -0.012 0.000 0.257 2152 I C 1.310 177.409 176.117 -0.029 0.000 1.184 2152 I CA 0.766 62.058 61.300 -0.013 0.000 1.451 2152 I CB -0.005 37.986 38.000 -0.016 0.000 1.089 2152 I HN 0.084 nan 8.210 nan 0.000 0.441 2153 K N 1.288 121.678 120.400 -0.017 0.000 2.362 2153 K HA -0.002 4.311 4.320 -0.012 0.000 0.200 2153 K C 1.609 178.185 176.600 -0.041 0.000 1.046 2153 K CA 1.414 57.683 56.287 -0.030 0.000 0.952 2153 K CB 0.041 32.530 32.500 -0.019 0.000 0.753 2153 K HN 0.567 nan 8.250 nan 0.000 0.466 2154 V N -3.625 116.274 119.914 -0.024 0.000 3.271 2154 V HA 0.430 4.543 4.120 -0.012 0.000 0.327 2154 V C 0.708 176.783 176.094 -0.032 0.000 1.389 2154 V CA 0.144 62.433 62.300 -0.018 0.000 1.156 2154 V CB -0.064 31.777 31.823 0.030 0.000 1.103 2154 V HN 0.308 nan 8.190 nan 0.000 0.453 2155 G N 0.179 108.936 108.800 -0.072 0.000 2.132 2155 G HA2 -0.247 3.706 3.960 -0.012 0.000 0.234 2155 G HA3 -0.247 3.706 3.960 -0.012 0.000 0.234 2155 G C 0.206 175.060 174.900 -0.076 0.000 0.989 2155 G CA 0.365 45.391 45.100 -0.122 0.000 0.676 2155 G HN 1.085 nan 8.290 nan 0.000 0.522 2156 S N 0.673 116.362 115.700 -0.019 0.000 2.429 2156 S HA 0.772 5.235 4.470 -0.012 0.000 0.302 2156 S C 0.478 175.079 174.600 0.001 0.000 1.115 2156 S CA 0.791 59.000 58.200 0.014 0.000 1.095 2156 S CB 0.948 64.198 63.200 0.083 0.000 0.987 2156 S HN 1.263 nan 8.310 nan 0.000 0.474 2157 T N 2.562 117.107 114.554 -0.016 0.000 2.888 2157 T HA 0.729 5.072 4.350 -0.012 0.000 0.288 2157 T C -0.811 173.888 174.700 -0.001 0.000 1.063 2157 T CA -0.928 61.165 62.100 -0.011 0.000 1.010 2157 T CB 0.857 69.703 68.868 -0.037 0.000 1.214 2157 T HN 0.468 nan 8.240 nan 0.000 0.533 2158 L N 1.240 122.474 121.223 0.019 0.000 2.385 2158 L HA 0.577 4.910 4.340 -0.012 0.000 0.273 2158 L C 0.874 177.772 176.870 0.046 0.000 0.990 2158 L CA -0.739 54.120 54.840 0.031 0.000 0.821 2158 L CB 2.582 44.666 42.059 0.042 0.000 1.279 2158 L HN 1.161 nan 8.230 nan 0.000 0.412 2159 T N -1.002 113.583 114.554 0.053 0.000 2.969 2159 T HA 0.257 4.600 4.350 -0.012 0.000 0.258 2159 T C 0.630 175.382 174.700 0.087 0.000 0.962 2159 T CA -0.083 62.061 62.100 0.073 0.000 0.903 2159 T CB 0.444 69.344 68.868 0.055 0.000 1.177 2159 T HN 0.292 nan 8.240 nan 0.000 0.511 2160 I N 2.772 123.393 120.570 0.084 0.000 2.754 2160 I HA 0.482 4.645 4.170 -0.012 0.000 0.285 2160 I C 0.655 176.813 176.117 0.067 0.000 1.166 2160 I CA -0.667 60.661 61.300 0.047 0.000 1.417 2160 I CB 0.715 38.750 38.000 0.058 0.000 1.382 2160 I HN 0.392 nan 8.210 nan 0.000 0.588 2161 A N 8.133 130.995 122.820 0.070 0.000 2.388 2161 A HA 0.489 4.802 4.320 -0.012 0.000 0.257 2161 A C -2.368 175.355 177.584 0.230 0.000 1.095 2161 A CA -1.155 50.978 52.037 0.161 0.000 0.791 2161 A CB -0.309 18.859 19.000 0.281 0.000 1.029 2161 A HN 0.527 nan 8.150 nan 0.000 0.489 2162 P HA 0.256 nan 4.420 nan 0.000 0.272 2162 P C -1.172 176.308 177.300 0.300 0.000 1.240 2162 P CA 0.284 63.501 63.100 0.194 0.000 0.791 2162 P CB 0.236 32.007 31.700 0.118 0.000 0.978 2163 Y N 0.375 120.688 120.300 0.021 0.000 2.386 2163 Y HA 0.396 4.938 4.550 -0.013 0.000 0.334 2163 Y C -1.011 174.878 175.900 -0.020 0.000 1.002 2163 Y CA -0.882 57.225 58.100 0.012 0.000 1.068 2163 Y CB 1.410 39.773 38.460 -0.161 0.000 1.203 2163 Y HN 0.003 nan 8.280 nan 0.000 0.443 2164 V N 6.682 126.525 119.914 -0.117 0.000 2.407 2164 V HA 0.539 4.652 4.120 -0.012 0.000 0.278 2164 V C -0.678 175.353 176.094 -0.105 0.000 1.037 2164 V CA -0.589 61.678 62.300 -0.056 0.000 0.900 2164 V CB 1.249 33.110 31.823 0.063 0.000 0.983 2164 V HN 0.540 nan 8.190 nan 0.000 0.459 2165 V N 5.883 125.723 119.914 -0.125 0.000 2.577 2165 V HA 0.504 4.617 4.120 -0.012 0.000 0.303 2165 V C 0.441 176.461 176.094 -0.124 0.000 1.042 2165 V CA -0.881 61.256 62.300 -0.272 0.000 0.872 2165 V CB 1.426 32.905 31.823 -0.572 0.000 0.998 2165 V HN 0.979 nan 8.190 nan 0.000 0.423 2166 K N 2.227 122.606 120.400 -0.035 0.000 1.824 2166 K HA -0.248 4.065 4.320 -0.012 0.000 0.120 2166 K C -0.120 176.586 176.600 0.176 0.000 1.268 2166 K CA 1.917 58.252 56.287 0.081 0.000 0.420 2166 K CB -0.525 31.999 32.500 0.041 0.000 0.586 2166 K HN 0.784 nan 8.250 nan 0.000 0.907 2167 D N 2.463 122.934 120.400 0.117 0.000 2.738 2167 D HA 0.209 4.842 4.640 -0.012 0.000 0.246 2167 D C -0.545 175.675 176.300 -0.134 0.000 1.270 2167 D CA 0.385 54.414 54.000 0.050 0.000 0.833 2167 D CB 0.254 41.107 40.800 0.088 0.000 1.040 2167 D HN 0.162 nan 8.370 nan 0.000 0.487 2168 K N -0.171 120.168 120.400 -0.101 0.000 2.340 2168 K HA 0.629 4.942 4.320 -0.012 0.000 0.244 2168 K C -1.052 175.483 176.600 -0.108 0.000 0.973 2168 K CA -0.992 55.218 56.287 -0.129 0.000 0.828 2168 K CB 3.413 35.842 32.500 -0.119 0.000 1.226 2168 K HN -0.178 nan 8.250 nan 0.000 0.437 2169 V N 3.617 123.482 119.914 -0.080 0.000 2.540 2169 V HA 0.441 4.554 4.120 -0.012 0.000 0.302 2169 V C -1.238 174.815 176.094 -0.070 0.000 1.035 2169 V CA -0.866 61.418 62.300 -0.027 0.000 0.873 2169 V CB 1.277 33.138 31.823 0.064 0.000 0.992 2169 V HN 0.547 nan 8.190 nan 0.000 0.428 2170 I N 7.451 127.943 120.570 -0.129 0.000 2.359 2170 I HA 0.508 4.671 4.170 -0.012 0.000 0.294 2170 I C -0.315 175.726 176.117 -0.125 0.000 0.987 2170 I CA -0.501 60.648 61.300 -0.252 0.000 1.225 2170 I CB 1.398 39.147 38.000 -0.419 0.000 1.366 2170 I HN 0.370 nan 8.210 nan 0.000 0.466 2171 I N 4.895 125.413 120.570 -0.087 0.000 2.466 2171 I HA 0.440 4.603 4.170 -0.012 0.000 0.289 2171 I C 0.744 176.850 176.117 -0.019 0.000 1.026 2171 I CA -0.211 61.107 61.300 0.029 0.000 1.078 2171 I CB 1.340 39.424 38.000 0.140 0.000 1.249 2171 I HN 0.642 nan 8.210 nan 0.000 0.429 2172 G N 4.540 113.358 108.800 0.029 0.000 2.666 2172 G HA2 0.649 4.602 3.960 -0.012 0.000 0.207 2172 G HA3 0.649 4.602 3.960 -0.012 0.000 0.207 2172 G C -0.416 174.407 174.900 -0.129 0.000 1.481 2172 G CA -0.091 44.985 45.100 -0.041 0.000 1.071 2172 G HN 0.700 nan 8.290 nan 0.000 0.572 2173 S N -2.730 112.918 115.700 -0.087 0.000 2.547 2173 S HA 0.724 5.187 4.470 -0.012 0.000 0.270 2173 S C -1.055 173.568 174.600 0.038 0.000 1.150 2173 S CA -0.645 57.470 58.200 -0.142 0.000 0.850 2173 S CB 1.788 64.753 63.200 -0.391 0.000 1.118 2173 S HN 0.754 nan 8.310 nan 0.000 0.461 2174 S N -0.516 115.188 115.700 0.006 0.000 2.546 2174 S HA 0.899 5.362 4.470 -0.012 0.000 0.274 2174 S C 0.315 174.908 174.600 -0.011 0.000 1.121 2174 S CA -0.115 58.086 58.200 0.002 0.000 0.887 2174 S CB 1.610 64.761 63.200 -0.080 0.000 1.094 2174 S HN 2.256 nan 8.310 nan 0.000 0.474 2175 G N 0.300 109.092 108.800 -0.015 0.000 2.215 2175 G HA2 0.057 4.010 3.960 -0.012 0.000 0.187 2175 G HA3 0.057 4.010 3.960 -0.012 0.000 0.187 2175 G C 0.669 175.616 174.900 0.078 0.000 1.039 2175 G CA 0.288 45.386 45.100 -0.003 0.000 0.771 2175 G HN 0.962 nan 8.290 nan 0.000 0.507 2176 A N 0.218 123.126 122.820 0.146 0.000 2.019 2176 A HA 0.166 4.479 4.320 -0.012 0.000 0.219 2176 A C 1.895 179.633 177.584 0.257 0.000 1.164 2176 A CA 2.204 54.384 52.037 0.237 0.000 0.644 2176 A CB -0.194 18.989 19.000 0.305 0.000 0.805 2176 A HN 0.398 nan 8.150 nan 0.000 0.449 2177 E N -0.860 119.461 120.200 0.202 0.000 2.472 2177 E HA -0.002 4.341 4.350 -0.012 0.000 0.200 2177 E C 0.575 177.250 176.600 0.126 0.000 1.046 2177 E CA 0.580 57.086 56.400 0.176 0.000 0.871 2177 E CB -0.108 29.685 29.700 0.155 0.000 0.806 2177 E HN 0.575 nan 8.360 nan 0.000 0.533 2178 L N -1.655 119.610 121.223 0.071 0.000 3.014 2178 L HA 0.377 4.710 4.340 -0.012 0.000 0.263 2178 L C 1.080 178.085 176.870 0.226 0.000 1.207 2178 L CA 0.197 55.054 54.840 0.028 0.000 1.017 2178 L CB 0.746 42.664 42.059 -0.235 0.000 1.360 2178 L HN 0.085 nan 8.230 nan 0.000 0.560 2179 G N -0.101 108.904 108.800 0.342 0.000 2.147 2179 G HA2 -0.244 3.709 3.960 -0.012 0.000 0.244 2179 G HA3 -0.244 3.709 3.960 -0.012 0.000 0.244 2179 G C 0.200 175.195 174.900 0.158 0.000 1.005 2179 G CA 0.137 45.425 45.100 0.314 0.000 0.713 2179 G HN 0.127 nan 8.290 nan 0.000 0.515 2180 V N 1.096 121.111 119.914 0.168 0.000 2.508 2180 V HA 0.274 4.387 4.120 -0.012 0.000 0.281 2180 V C 1.312 177.522 176.094 0.194 0.000 1.041 2180 V CA -0.156 62.241 62.300 0.161 0.000 1.016 2180 V CB 1.254 33.166 31.823 0.147 0.000 0.984 2180 V HN 0.522 nan 8.190 nan 0.000 0.478 2181 R N 4.127 124.749 120.500 0.204 0.000 2.316 2181 R HA 0.357 4.690 4.340 -0.012 0.000 0.314 2181 R C 0.532 177.060 176.300 0.381 0.000 1.069 2181 R CA -0.120 56.135 56.100 0.258 0.000 0.959 2181 R CB 0.450 30.877 30.300 0.211 0.000 0.987 2181 R HN 0.894 nan 8.270 nan 0.000 0.446 2182 G N 3.643 112.644 108.800 0.336 0.000 2.491 2182 G HA2 0.239 4.192 3.960 -0.012 0.000 0.242 2182 G HA3 0.239 4.192 3.960 -0.012 0.000 0.242 2182 G C -1.190 173.916 174.900 0.344 0.000 1.266 2182 G CA -0.303 44.965 45.100 0.280 0.000 0.844 2182 G HN 0.713 nan 8.290 nan 0.000 0.571 2183 Y N -0.372 119.937 120.300 0.015 0.000 2.552 2183 Y HA 0.682 5.225 4.550 -0.011 0.000 0.337 2183 Y C -0.839 174.981 175.900 -0.134 0.000 1.094 2183 Y CA -1.984 56.004 58.100 -0.187 0.000 1.028 2183 Y CB 1.178 39.287 38.460 -0.584 0.000 1.321 2183 Y HN 0.684 nan 8.280 nan 0.000 0.456 2184 L N 0.642 121.821 121.223 -0.073 0.000 2.341 2184 L HA 1.066 5.399 4.340 -0.012 0.000 0.267 2184 L C -1.160 175.598 176.870 -0.186 0.000 1.009 2184 L CA -0.732 54.021 54.840 -0.145 0.000 0.819 2184 L CB 2.668 44.615 42.059 -0.185 0.000 1.323 2184 L HN 0.785 nan 8.230 nan 0.000 0.425 2185 T N 1.509 115.843 114.554 -0.367 0.000 2.886 2185 T HA 0.754 5.097 4.350 -0.012 0.000 0.292 2185 T C -0.470 173.648 174.700 -0.970 0.000 1.012 2185 T CA -0.451 61.260 62.100 -0.649 0.000 0.982 2185 T CB 1.760 70.300 68.868 -0.546 0.000 1.018 2185 T HN 0.892 nan 8.240 nan 0.000 0.451 2186 A N 2.808 124.772 122.820 -1.426 0.000 2.288 2186 A HA 0.778 5.091 4.320 -0.012 0.000 0.320 2186 A C -1.318 175.721 177.584 -0.907 0.000 1.217 2186 A CA -0.630 50.692 52.037 -1.191 0.000 0.840 2186 A CB 0.304 18.353 19.000 -1.586 0.000 1.179 2186 A HN 0.808 nan 8.150 nan 0.000 0.504 2187 Y N 0.719 120.774 120.300 -0.410 0.000 2.446 2187 Y HA 0.296 4.840 4.550 -0.011 0.000 0.338 2187 Y C 0.586 176.291 175.900 -0.326 0.000 1.055 2187 Y CA -0.753 57.133 58.100 -0.356 0.000 1.101 2187 Y CB 1.183 39.434 38.460 -0.349 0.000 1.221 2187 Y HN 0.689 nan 8.280 nan 0.000 0.460 2188 D N 1.774 122.061 120.400 -0.188 0.000 2.451 2188 D HA -0.074 4.559 4.640 -0.012 0.000 0.254 2188 D C 0.805 176.944 176.300 -0.269 0.000 1.204 2188 D CA 0.588 54.451 54.000 -0.228 0.000 0.896 2188 D CB 1.520 42.177 40.800 -0.239 0.000 1.136 2188 D HN 0.539 nan 8.370 nan 0.000 0.499 2189 V N 5.007 124.762 119.914 -0.264 0.000 2.913 2189 V HA -0.167 3.946 4.120 -0.012 0.000 0.260 2189 V C 2.003 178.002 176.094 -0.157 0.000 1.098 2189 V CA 1.538 63.705 62.300 -0.222 0.000 1.121 2189 V CB -0.150 31.317 31.823 -0.593 0.000 0.714 2189 V HN 0.499 nan 8.190 nan 0.000 0.487 2190 K N -0.200 120.020 120.400 -0.301 0.000 2.243 2190 K HA 0.014 4.327 4.320 -0.012 0.000 0.201 2190 K C 1.734 178.288 176.600 -0.076 0.000 1.051 2190 K CA 1.544 57.721 56.287 -0.184 0.000 0.970 2190 K CB 0.039 32.412 32.500 -0.211 0.000 0.755 2190 K HN 0.675 nan 8.250 nan 0.000 0.465 2191 T N -4.760 109.570 114.554 -0.374 0.000 2.969 2191 T HA 0.239 4.582 4.350 -0.012 0.000 0.258 2191 T C 1.357 175.390 174.700 -1.112 0.000 0.962 2191 T CA 0.420 62.205 62.100 -0.525 0.000 0.903 2191 T CB 0.995 69.677 68.868 -0.310 0.000 1.177 2191 T HN 0.242 nan 8.240 nan 0.000 0.511 2192 G N 1.695 109.526 108.800 -1.613 0.000 2.176 2192 G HA2 -0.264 3.689 3.960 -0.012 0.000 0.253 2192 G HA3 -0.264 3.689 3.960 -0.012 0.000 0.253 2192 G C -0.152 174.353 174.900 -0.659 0.000 0.979 2192 G CA 0.246 44.337 45.100 -1.681 0.000 0.641 2192 G HN 0.905 nan 8.290 nan 0.000 0.530 2193 E N 0.778 120.725 120.200 -0.421 0.000 2.376 2193 E HA 0.313 4.656 4.350 -0.012 0.000 0.266 2193 E C 0.614 177.147 176.600 -0.110 0.000 1.009 2193 E CA -0.302 55.975 56.400 -0.206 0.000 0.902 2193 E CB 0.251 29.840 29.700 -0.184 0.000 0.972 2193 E HN 0.452 nan 8.360 nan 0.000 0.439 2194 Q N 3.430 123.187 119.800 -0.071 0.000 2.297 2194 Q HA 0.055 4.388 4.340 -0.012 0.000 0.267 2194 Q C 0.041 175.911 176.000 -0.216 0.000 1.006 2194 Q CA -0.355 55.318 55.803 -0.217 0.000 0.896 2194 Q CB 1.087 29.713 28.738 -0.186 0.000 1.186 2194 Q HN 0.584 nan 8.270 nan 0.000 0.392 2195 V N 5.482 125.219 119.914 -0.295 0.000 2.581 2195 V HA 0.186 4.299 4.120 -0.012 0.000 0.240 2195 V C 0.231 176.302 176.094 -0.039 0.000 1.054 2195 V CA 0.531 62.738 62.300 -0.155 0.000 1.076 2195 V CB -0.026 31.711 31.823 -0.142 0.000 0.748 2195 V HN 0.856 nan 8.190 nan 0.000 0.474 2196 W N 0.034 121.210 121.300 -0.207 0.000 3.213 2196 W HA 0.757 5.411 4.660 -0.011 0.000 0.318 2196 W C -1.090 175.300 176.519 -0.215 0.000 1.248 2196 W CA -0.982 56.259 57.345 -0.174 0.000 1.187 2196 W CB 1.775 31.150 29.460 -0.142 0.000 1.403 2196 W HN -0.040 nan 8.180 nan 0.000 0.556 2197 R N 1.935 122.560 120.500 0.208 0.000 2.510 2197 R HA 0.638 4.971 4.340 -0.012 0.000 0.287 2197 R C -1.711 174.647 176.300 0.096 0.000 1.084 2197 R CA -0.300 55.825 56.100 0.041 0.000 0.934 2197 R CB 1.833 32.052 30.300 -0.135 0.000 1.201 2197 R HN 0.698 nan 8.270 nan 0.000 0.431 2198 A N 4.276 127.148 122.820 0.087 0.000 2.330 2198 A HA 0.571 4.884 4.320 -0.012 0.000 0.313 2198 A C -1.580 175.974 177.584 -0.050 0.000 1.124 2198 A CA -0.524 51.536 52.037 0.038 0.000 0.774 2198 A CB 0.629 19.644 19.000 0.024 0.000 1.198 2198 A HN 0.656 nan 8.150 nan 0.000 0.465 2199 Y N 0.875 121.218 120.300 0.071 0.000 2.403 2199 Y HA 0.475 5.018 4.550 -0.011 0.000 0.323 2199 Y C 1.354 177.317 175.900 0.105 0.000 1.226 2199 Y CA 0.353 58.525 58.100 0.120 0.000 1.235 2199 Y CB 1.792 40.309 38.460 0.095 0.000 1.248 2199 Y HN 0.716 nan 8.280 nan 0.000 0.489 2200 A N 0.314 123.338 122.820 0.339 0.000 2.147 2200 A HA 0.176 4.489 4.320 -0.012 0.000 0.211 2200 A C 0.699 178.530 177.584 0.411 0.000 1.160 2200 A CA 1.051 53.296 52.037 0.347 0.000 0.781 2200 A CB -0.415 18.800 19.000 0.358 0.000 0.842 2200 A HN 0.708 nan 8.150 nan 0.000 0.475 2201 T N -5.000 109.748 114.554 0.323 0.000 2.865 2201 T HA 0.663 5.006 4.350 -0.012 0.000 0.294 2201 T C 0.113 174.804 174.700 -0.014 0.000 1.119 2201 T CA 0.081 62.314 62.100 0.220 0.000 1.007 2201 T CB 1.433 70.387 68.868 0.144 0.000 1.225 2201 T HN 1.968 nan 8.240 nan 0.000 0.515 2202 G N 1.103 109.686 108.800 -0.361 0.000 2.466 2202 G HA2 0.167 4.120 3.960 -0.012 0.000 0.316 2202 G HA3 0.167 4.120 3.960 -0.012 0.000 0.316 2202 G C -3.201 171.316 174.900 -0.638 0.000 1.270 2202 G CA -0.624 43.885 45.100 -0.985 0.000 0.982 2202 G HN 0.858 nan 8.290 nan 0.000 0.506 2203 P HA 0.258 nan 4.420 nan 0.000 0.269 2203 P C 0.317 177.512 177.300 -0.175 0.000 1.215 2203 P CA -0.083 62.820 63.100 -0.328 0.000 0.780 2203 P CB 0.423 31.960 31.700 -0.271 0.000 0.898 2204 D N 1.584 121.922 120.400 -0.102 0.000 2.149 2204 D HA -0.168 4.465 4.640 -0.012 0.000 0.198 2204 D C 2.134 178.386 176.300 -0.080 0.000 0.990 2204 D CA 2.002 55.959 54.000 -0.071 0.000 0.839 2204 D CB -0.564 40.208 40.800 -0.047 0.000 0.948 2204 D HN 0.409 nan 8.370 nan 0.000 0.460 2205 K N 1.122 121.477 120.400 -0.075 0.000 2.103 2205 K HA -0.177 4.136 4.320 -0.012 0.000 0.207 2205 K C 1.757 178.331 176.600 -0.043 0.000 1.048 2205 K CA 1.834 58.086 56.287 -0.059 0.000 0.930 2205 K CB -0.784 31.684 32.500 -0.053 0.000 0.716 2205 K HN 0.113 nan 8.250 nan 0.000 0.444 2206 D N 0.064 120.433 120.400 -0.052 0.000 2.234 2206 D HA 0.032 4.665 4.640 -0.012 0.000 0.205 2206 D C 1.773 178.132 176.300 0.098 0.000 0.962 2206 D CA 0.634 54.645 54.000 0.018 0.000 0.855 2206 D CB 0.073 40.798 40.800 -0.125 0.000 0.951 2206 D HN 0.442 nan 8.370 nan 0.000 0.500 2207 L N -0.130 121.096 121.223 0.005 0.000 2.313 2207 L HA 0.074 4.407 4.340 -0.012 0.000 0.214 2207 L C 0.518 177.310 176.870 -0.131 0.000 1.119 2207 L CA 0.032 54.851 54.840 -0.036 0.000 0.809 2207 L CB -0.111 41.904 42.059 -0.073 0.000 0.933 2207 L HN 0.005 nan 8.230 nan 0.000 0.449 2208 L N 1.357 122.507 121.223 -0.122 0.000 3.755 2208 L HA -0.209 4.124 4.340 -0.012 0.000 0.587 2208 L C -0.568 176.153 176.870 -0.247 0.000 1.235 2208 L CA 0.064 54.803 54.840 -0.169 0.000 0.876 2208 L CB -1.414 40.533 42.059 -0.186 0.000 1.431 2208 L HN 0.217 nan 8.230 nan 0.000 0.840 2209 L N 1.218 122.285 121.223 -0.259 0.000 2.312 2209 L HA 0.693 5.026 4.340 -0.012 0.000 0.281 2209 L C 1.072 177.845 176.870 -0.161 0.000 1.070 2209 L CA -0.227 54.413 54.840 -0.333 0.000 0.805 2209 L CB 1.418 43.194 42.059 -0.472 0.000 1.174 2209 L HN 0.499 nan 8.230 nan 0.000 0.434 2210 A N 1.570 124.342 122.820 -0.080 0.000 2.406 2210 A HA 0.208 4.521 4.320 -0.012 0.000 0.243 2210 A C 1.285 178.889 177.584 0.034 0.000 1.082 2210 A CA 0.248 52.275 52.037 -0.016 0.000 0.786 2210 A CB 0.407 19.418 19.000 0.019 0.000 1.029 2210 A HN 0.919 nan 8.150 nan 0.000 0.495 2211 S N 0.085 115.796 115.700 0.018 0.000 2.442 2211 S HA -0.150 4.313 4.470 -0.012 0.000 0.236 2211 S C 0.596 175.233 174.600 0.061 0.000 1.007 2211 S CA 1.408 59.627 58.200 0.032 0.000 0.965 2211 S CB -0.355 62.853 63.200 0.014 0.000 0.773 2211 S HN 0.807 nan 8.310 nan 0.000 0.504 2212 D N 0.024 120.466 120.400 0.071 0.000 2.525 2212 D HA 0.168 4.801 4.640 -0.012 0.000 0.229 2212 D C -0.102 176.265 176.300 0.112 0.000 1.202 2212 D CA -1.038 53.005 54.000 0.072 0.000 0.828 2212 D CB -1.121 39.703 40.800 0.040 0.000 1.008 2212 D HN 0.362 nan 8.370 nan 0.000 0.493 2213 F N 2.511 122.455 119.950 -0.010 0.000 2.612 2213 F HA 0.062 4.581 4.527 -0.012 0.000 0.389 2213 F C 0.772 176.575 175.800 0.006 0.000 1.055 2213 F CA 0.155 58.147 58.000 -0.013 0.000 1.232 2213 F CB 0.129 39.103 39.000 -0.043 0.000 1.044 2213 F HN -0.060 nan 8.300 nan 0.000 0.560 2214 N N 4.464 122.854 118.700 -0.517 0.000 2.725 2214 N HA -0.316 4.417 4.740 -0.012 0.000 0.249 2214 N C 1.175 176.542 175.510 -0.240 0.000 1.103 2214 N CA 1.151 53.914 53.050 -0.479 0.000 0.707 2214 N CB -1.581 36.487 38.487 -0.700 0.000 1.043 2214 N HN 0.844 nan 8.380 nan 0.000 0.553 2215 I N -0.154 120.342 120.570 -0.124 0.000 2.454 2215 I HA -0.238 3.925 4.170 -0.012 0.000 0.254 2215 I C 2.044 178.103 176.117 -0.098 0.000 1.156 2215 I CA 1.591 62.846 61.300 -0.075 0.000 1.433 2215 I CB 0.129 38.111 38.000 -0.030 0.000 1.082 2215 I HN 0.111 nan 8.210 nan 0.000 0.432 2216 K N 1.175 121.495 120.400 -0.133 0.000 2.243 2216 K HA 0.019 4.332 4.320 -0.012 0.000 0.201 2216 K C 0.219 176.701 176.600 -0.197 0.000 1.051 2216 K CA 1.012 57.214 56.287 -0.143 0.000 0.970 2216 K CB 0.159 32.574 32.500 -0.141 0.000 0.755 2216 K HN 0.279 nan 8.250 nan 0.000 0.465 2217 N N 1.398 119.893 118.700 -0.341 0.000 2.757 2217 N HA 0.148 4.881 4.740 -0.012 0.000 0.296 2217 N C -2.430 172.788 175.510 -0.487 0.000 1.874 2217 N CA -1.067 51.645 53.050 -0.562 0.000 0.885 2217 N CB 1.612 39.200 38.487 -1.498 0.000 1.242 2217 N HN 0.160 nan 8.380 nan 0.000 0.488 2218 P HA -0.141 nan 4.420 nan 0.000 0.226 2218 P C 1.160 178.477 177.300 0.028 0.000 1.153 2218 P CA 1.120 64.186 63.100 -0.056 0.000 0.777 2218 P CB -0.063 31.639 31.700 0.002 0.000 0.794 2219 H N -2.186 116.854 119.070 -0.050 0.000 2.545 2219 H HA -0.081 4.468 4.556 -0.011 0.000 0.282 2219 H C 1.195 176.637 175.328 0.190 0.000 1.020 2219 H CA 0.631 56.707 56.048 0.047 0.000 1.243 2219 H CB -1.252 28.529 29.762 0.032 0.000 1.377 2219 H HN 0.111 nan 8.280 nan 0.000 0.581 2220 Y N 1.784 121.897 120.300 -0.311 0.000 2.421 2220 Y HA 0.217 4.760 4.550 -0.011 0.000 0.292 2220 Y C 1.742 177.683 175.900 0.068 0.000 1.136 2220 Y CA 0.512 58.533 58.100 -0.132 0.000 1.255 2220 Y CB -0.358 38.036 38.460 -0.111 0.000 0.991 2220 Y HN 0.538 nan 8.280 nan 0.000 0.552 2221 G N -0.339 108.611 108.800 0.251 0.000 2.640 2221 G HA2 -0.033 3.920 3.960 -0.012 0.000 0.686 2221 G HA3 -0.033 3.920 3.960 -0.012 0.000 0.686 2221 G C -0.575 174.583 174.900 0.430 0.000 1.229 2221 G CA -0.443 44.846 45.100 0.315 0.000 0.796 2221 G HN 0.171 nan 8.290 nan 0.000 0.654 2222 Q N 0.020 120.067 119.800 0.412 0.000 3.016 2222 Q HA 0.389 4.722 4.340 -0.012 0.000 0.209 2222 Q C 0.517 176.816 176.000 0.499 0.000 1.139 2222 Q CA -0.660 55.426 55.803 0.472 0.000 0.342 2222 Q CB 0.719 29.611 28.738 0.257 0.000 5.522 2222 Q HN 0.548 nan 8.270 nan 0.000 0.305 2223 K N 0.104 120.682 120.400 0.298 0.000 2.168 2223 K HA 0.364 4.677 4.320 -0.012 0.000 0.258 2223 K C 0.371 177.079 176.600 0.179 0.000 1.010 2223 K CA 0.674 57.087 56.287 0.210 0.000 0.929 2223 K CB 0.561 33.136 32.500 0.125 0.000 0.998 2223 K HN 0.749 nan 8.250 nan 0.000 0.479 2224 G N 0.862 109.743 108.800 0.135 0.000 2.179 2224 G HA2 -0.261 3.692 3.960 -0.012 0.000 0.260 2224 G HA3 -0.261 3.692 3.960 -0.012 0.000 0.260 2224 G C 0.568 175.516 174.900 0.079 0.000 0.977 2224 G CA 0.224 45.373 45.100 0.082 0.000 0.641 2224 G HN 0.528 nan 8.290 nan 0.000 0.533 2225 L N 0.488 121.788 121.223 0.128 0.000 2.509 2225 L HA 0.265 4.598 4.340 -0.012 0.000 0.222 2225 L C 2.762 179.628 176.870 -0.006 0.000 1.123 2225 L CA 0.851 55.697 54.840 0.009 0.000 0.856 2225 L CB -0.205 41.781 42.059 -0.122 0.000 0.985 2225 L HN 0.274 nan 8.230 nan 0.000 0.456 2226 G N -0.055 108.801 108.800 0.092 0.000 2.534 2226 G HA2 -0.189 3.764 3.960 -0.012 0.000 0.217 2226 G HA3 -0.189 3.764 3.960 -0.012 0.000 0.217 2226 G C 1.565 176.434 174.900 -0.051 0.000 1.128 2226 G CA 1.360 46.521 45.100 0.102 0.000 0.784 2226 G HN 0.443 nan 8.290 nan 0.000 0.542 2227 T N -3.787 110.708 114.554 -0.098 0.000 2.999 2227 T HA 0.224 4.567 4.350 -0.012 0.000 0.247 2227 T C 2.350 177.131 174.700 0.135 0.000 1.012 2227 T CA 1.091 63.126 62.100 -0.108 0.000 1.048 2227 T CB 0.149 68.870 68.868 -0.246 0.000 1.020 2227 T HN 0.093 nan 8.240 nan 0.000 0.478 2228 G N 2.167 111.017 108.800 0.083 0.000 2.509 2228 G HA2 -0.007 3.946 3.960 -0.012 0.000 0.218 2228 G HA3 -0.007 3.946 3.960 -0.012 0.000 0.218 2228 G C 1.441 176.377 174.900 0.059 0.000 1.124 2228 G CA 1.259 46.401 45.100 0.070 0.000 0.776 2228 G HN 0.688 nan 8.290 nan 0.000 0.547 2229 T N -3.509 111.077 114.554 0.054 0.000 3.243 2229 T HA 0.406 4.749 4.350 -0.012 0.000 0.264 2229 T C -0.281 174.302 174.700 -0.195 0.000 1.000 2229 T CA -0.896 61.145 62.100 -0.098 0.000 0.901 2229 T CB -0.222 68.508 68.868 -0.231 0.000 1.083 2229 T HN 0.213 nan 8.240 nan 0.000 0.559 2230 W N 0.559 121.891 121.300 0.054 0.000 2.962 2230 W HA 0.595 5.248 4.660 -0.012 0.000 0.341 2230 W C -0.329 176.256 176.519 0.111 0.000 1.155 2230 W CA -1.146 56.269 57.345 0.116 0.000 1.165 2230 W CB 1.422 31.018 29.460 0.226 0.000 1.435 2230 W HN 0.038 nan 8.180 nan 0.000 0.546 2231 E N 1.433 121.845 120.200 0.354 0.000 2.115 2231 E HA 0.464 4.807 4.350 -0.012 0.000 0.282 2231 E C 0.843 177.573 176.600 0.216 0.000 0.987 2231 E CA 0.557 57.090 56.400 0.222 0.000 0.797 2231 E CB 0.471 30.259 29.700 0.146 0.000 1.086 2231 E HN 0.645 nan 8.360 nan 0.000 0.397 2232 G N 4.925 113.834 108.800 0.182 0.000 2.566 2232 G HA2 -0.328 3.625 3.960 -0.012 0.000 0.280 2232 G HA3 -0.328 3.625 3.960 -0.012 0.000 0.280 2232 G C 0.235 175.202 174.900 0.111 0.000 1.225 2232 G CA 0.248 45.425 45.100 0.128 0.000 0.966 2232 G HN 0.700 nan 8.290 nan 0.000 0.560 2233 D N 1.452 121.794 120.400 -0.095 0.000 2.352 2233 D HA 0.460 5.093 4.640 -0.012 0.000 0.236 2233 D C 2.088 178.001 176.300 -0.646 0.000 1.148 2233 D CA 1.052 54.757 54.000 -0.491 0.000 0.844 2233 D CB -0.274 40.256 40.800 -0.450 0.000 0.933 2233 D HN 0.778 nan 8.370 nan 0.000 0.507 2234 A N 0.733 123.394 122.820 -0.265 0.000 2.067 2234 A HA -0.124 4.189 4.320 -0.012 0.000 0.219 2234 A C 1.905 179.207 177.584 -0.471 0.000 1.158 2234 A CA 0.439 52.372 52.037 -0.174 0.000 0.661 2234 A CB -0.904 18.227 19.000 0.217 0.000 0.801 2234 A HN 0.569 nan 8.150 nan 0.000 0.452 2235 W N 0.226 121.116 121.300 -0.683 0.000 2.468 2235 W HA -0.073 4.580 4.660 -0.012 0.000 0.262 2235 W C 1.037 177.170 176.519 -0.644 0.000 1.241 2235 W CA 0.960 57.553 57.345 -1.254 0.000 1.232 2235 W CB -0.623 28.106 29.460 -1.218 0.000 1.124 2235 W HN 0.267 nan 8.180 nan 0.000 0.597 2236 K N 1.603 121.426 120.400 -0.962 0.000 2.211 2236 K HA -0.087 4.226 4.320 -0.012 0.000 0.203 2236 K C 1.668 178.022 176.600 -0.411 0.000 1.050 2236 K CA 1.698 57.539 56.287 -0.744 0.000 0.945 2236 K CB -0.239 31.709 32.500 -0.921 0.000 0.732 2236 K HN 0.394 nan 8.250 nan 0.000 0.451 2237 I N -3.950 116.367 120.570 -0.421 0.000 3.654 2237 I HA 0.309 4.472 4.170 -0.012 0.000 0.337 2237 I C 0.835 176.900 176.117 -0.086 0.000 1.568 2237 I CA -0.400 60.696 61.300 -0.339 0.000 1.115 2237 I CB 0.751 38.310 38.000 -0.735 0.000 1.300 2237 I HN -0.159 nan 8.210 nan 0.000 0.471 2238 G N 0.771 109.517 108.800 -0.090 0.000 3.233 2238 G HA2 0.489 4.442 3.960 -0.012 0.000 0.227 2238 G HA3 0.489 4.442 3.960 -0.012 0.000 0.227 2238 G C 0.854 175.935 174.900 0.301 0.000 1.175 2238 G CA 0.338 45.463 45.100 0.041 0.000 0.781 2238 G HN 0.801 nan 8.290 nan 0.000 0.542 2239 G N -0.494 108.466 108.800 0.267 0.000 2.553 2239 G HA2 0.317 4.270 3.960 -0.012 0.000 0.242 2239 G HA3 0.317 4.270 3.960 -0.012 0.000 0.242 2239 G C 0.987 176.080 174.900 0.323 0.000 1.277 2239 G CA 0.747 46.032 45.100 0.308 0.000 0.910 2239 G HN 1.900 nan 8.290 nan 0.000 0.576 2240 G N -2.286 106.713 108.800 0.332 0.000 2.132 2240 G HA2 0.175 4.128 3.960 -0.012 0.000 0.234 2240 G HA3 0.175 4.128 3.960 -0.012 0.000 0.234 2240 G C 1.020 176.098 174.900 0.298 0.000 0.989 2240 G CA 1.429 46.726 45.100 0.330 0.000 0.676 2240 G HN 2.835 nan 8.290 nan 0.000 0.522 2241 T N -0.104 114.625 114.554 0.293 0.000 2.939 2241 T HA 0.367 4.710 4.350 -0.012 0.000 0.319 2241 T C 0.353 175.220 174.700 0.278 0.000 1.082 2241 T CA 0.373 62.632 62.100 0.265 0.000 1.133 2241 T CB 1.137 70.178 68.868 0.288 0.000 1.019 2241 T HN 1.022 nan 8.240 nan 0.000 0.548 2242 N N 3.058 121.864 118.700 0.176 0.000 2.518 2242 N HA 0.132 4.865 4.740 -0.012 0.000 0.254 2242 N C 0.040 175.563 175.510 0.023 0.000 0.979 2242 N CA -1.070 52.012 53.050 0.052 0.000 0.930 2242 N CB 1.056 39.588 38.487 0.076 0.000 1.152 2242 N HN 1.062 nan 8.380 nan 0.000 0.505 2243 W N 1.881 123.147 121.300 -0.056 0.000 2.702 2243 W HA 0.430 5.083 4.660 -0.012 0.000 0.369 2243 W C -0.187 176.204 176.519 -0.212 0.000 0.987 2243 W CA -0.532 56.753 57.345 -0.101 0.000 1.702 2243 W CB -0.462 28.975 29.460 -0.038 0.000 1.138 2243 W HN 0.374 nan 8.180 nan 0.000 0.552 2244 G N 1.526 110.020 108.800 -0.510 0.000 3.348 2244 G HA2 0.394 4.347 3.960 -0.012 0.000 0.180 2244 G HA3 0.394 4.347 3.960 -0.012 0.000 0.180 2244 G C -1.324 173.125 174.900 -0.752 0.000 1.915 2244 G CA -0.134 44.570 45.100 -0.660 0.000 0.937 2244 G HN 0.135 nan 8.290 nan 0.000 0.564 2245 W N -2.095 119.087 121.300 -0.196 0.000 2.975 2245 W HA 0.698 5.348 4.660 -0.016 0.000 0.342 2245 W C -1.474 174.847 176.519 -0.329 0.000 1.168 2245 W CA -0.905 56.354 57.345 -0.144 0.000 1.141 2245 W CB 1.291 30.777 29.460 0.043 0.000 1.445 2245 W HN 0.303 nan 8.180 nan 0.000 0.560 2246 Y N 0.681 121.037 120.300 0.093 0.000 2.562 2246 Y HA 0.833 5.375 4.550 -0.013 0.000 0.343 2246 Y C 0.357 176.260 175.900 0.006 0.000 1.025 2246 Y CA -1.506 56.539 58.100 -0.093 0.000 1.082 2246 Y CB 1.694 39.819 38.460 -0.560 0.000 1.264 2246 Y HN 0.481 nan 8.280 nan 0.000 0.478 2247 A N 0.891 123.958 122.820 0.413 0.000 2.485 2247 A HA 0.822 5.135 4.320 -0.012 0.000 0.292 2247 A C -2.407 175.596 177.584 0.699 0.000 1.147 2247 A CA -0.764 51.607 52.037 0.557 0.000 0.750 2247 A CB 1.815 21.090 19.000 0.458 0.000 1.331 2247 A HN 0.702 nan 8.150 nan 0.000 0.419 2248 Y N 0.348 120.957 120.300 0.515 0.000 2.479 2248 Y HA 0.556 5.099 4.550 -0.012 0.000 0.338 2248 Y C -1.841 174.201 175.900 0.236 0.000 1.055 2248 Y CA -1.084 57.177 58.100 0.269 0.000 1.023 2248 Y CB 2.014 40.473 38.460 -0.001 0.000 1.287 2248 Y HN 0.643 nan 8.280 nan 0.000 0.447 2249 D N 7.508 127.710 120.400 -0.331 0.000 2.453 2249 D HA 0.405 5.038 4.640 -0.012 0.000 0.238 2249 D C -2.234 173.595 176.300 -0.785 0.000 1.088 2249 D CA -2.518 51.269 54.000 -0.355 0.000 0.854 2249 D CB 2.416 43.240 40.800 0.040 0.000 1.076 2249 D HN 0.322 nan 8.370 nan 0.000 0.533 2250 P HA -0.048 nan 4.420 nan 0.000 0.217 2250 P C 1.268 178.450 177.300 -0.197 0.000 1.148 2250 P CA 0.936 63.759 63.100 -0.463 0.000 0.828 2250 P CB 0.363 31.975 31.700 -0.147 0.000 0.783 2251 G N -0.930 107.791 108.800 -0.131 0.000 2.421 2251 G HA2 -0.181 3.772 3.960 -0.012 0.000 0.217 2251 G HA3 -0.181 3.772 3.960 -0.012 0.000 0.217 2251 G C 1.389 176.271 174.900 -0.030 0.000 1.143 2251 G CA 1.439 46.510 45.100 -0.047 0.000 0.784 2251 G HN 0.382 nan 8.290 nan 0.000 0.541 2252 T N -2.928 111.603 114.554 -0.038 0.000 3.037 2252 T HA 0.094 4.437 4.350 -0.012 0.000 0.251 2252 T C 1.331 176.013 174.700 -0.031 0.000 1.079 2252 T CA 0.651 62.752 62.100 0.002 0.000 1.067 2252 T CB -0.074 68.844 68.868 0.084 0.000 0.948 2252 T HN 0.227 nan 8.240 nan 0.000 0.496 2253 N N 0.302 118.953 118.700 -0.082 0.000 2.753 2253 N HA -0.129 4.604 4.740 -0.012 0.000 0.251 2253 N C -0.837 174.703 175.510 0.051 0.000 1.097 2253 N CA 0.491 53.551 53.050 0.016 0.000 0.786 2253 N CB -2.023 36.495 38.487 0.051 0.000 1.137 2253 N HN 0.655 nan 8.380 nan 0.000 0.566 2254 L N 1.109 122.274 121.223 -0.098 0.000 2.309 2254 L HA 0.513 4.846 4.340 -0.012 0.000 0.282 2254 L C 1.089 177.796 176.870 -0.272 0.000 1.036 2254 L CA -1.148 53.545 54.840 -0.244 0.000 0.806 2254 L CB 1.083 42.844 42.059 -0.496 0.000 1.220 2254 L HN 0.145 nan 8.230 nan 0.000 0.429 2255 I N -0.538 119.967 120.570 -0.107 0.000 2.472 2255 I HA 0.396 4.559 4.170 -0.012 0.000 0.290 2255 I C -1.231 174.831 176.117 -0.091 0.000 1.016 2255 I CA -0.410 60.923 61.300 0.055 0.000 1.348 2255 I CB 0.736 38.877 38.000 0.235 0.000 1.417 2255 I HN 0.337 nan 8.210 nan 0.000 0.521 2256 Y N 6.553 127.077 120.300 0.374 0.000 2.364 2256 Y HA 0.744 5.287 4.550 -0.012 0.000 0.340 2256 Y C -0.285 175.809 175.900 0.324 0.000 0.975 2256 Y CA -0.747 57.498 58.100 0.241 0.000 1.089 2256 Y CB 1.571 40.126 38.460 0.158 0.000 1.192 2256 Y HN 0.697 nan 8.280 nan 0.000 0.454 2257 F N -0.768 119.280 119.950 0.164 0.000 2.799 2257 F HA 0.838 5.358 4.527 -0.012 0.000 0.316 2257 F C -0.909 174.895 175.800 0.007 0.000 1.155 2257 F CA -1.675 56.328 58.000 0.004 0.000 0.916 2257 F CB 0.873 39.812 39.000 -0.102 0.000 1.294 2257 F HN 0.621 nan 8.300 nan 0.000 0.447 2258 G N 0.368 109.145 108.800 -0.039 0.000 2.448 2258 G HA2 0.589 4.542 3.960 -0.012 0.000 0.324 2258 G HA3 0.589 4.542 3.960 -0.012 0.000 0.324 2258 G C -1.045 173.935 174.900 0.134 0.000 1.203 2258 G CA -0.548 44.518 45.100 -0.056 0.000 0.954 2258 G HN 1.014 nan 8.290 nan 0.000 0.480 2259 T N -0.528 114.138 114.554 0.188 0.000 2.922 2259 T HA 0.669 5.012 4.350 -0.012 0.000 0.285 2259 T C 0.983 175.799 174.700 0.192 0.000 1.005 2259 T CA 0.035 62.289 62.100 0.257 0.000 1.061 2259 T CB 1.724 70.821 68.868 0.381 0.000 1.007 2259 T HN 0.724 nan 8.240 nan 0.000 0.502 2260 G N 1.723 110.650 108.800 0.212 0.000 2.508 2260 G HA2 0.352 4.305 3.960 -0.012 0.000 0.278 2260 G HA3 0.352 4.305 3.960 -0.012 0.000 0.278 2260 G C 0.134 175.195 174.900 0.268 0.000 1.389 2260 G CA -1.041 44.205 45.100 0.242 0.000 1.050 2260 G HN 1.040 nan 8.290 nan 0.000 0.522 2261 N N 0.953 119.825 118.700 0.287 0.000 2.525 2261 N HA 0.222 4.955 4.740 -0.012 0.000 0.271 2261 N C -2.676 172.989 175.510 0.258 0.000 1.194 2261 N CA -1.095 52.091 53.050 0.228 0.000 0.964 2261 N CB 1.305 39.892 38.487 0.168 0.000 1.126 2261 N HN 0.174 nan 8.380 nan 0.000 0.452 2262 P HA 0.195 nan 4.420 nan 0.000 0.274 2262 P C -1.060 176.418 177.300 0.297 0.000 1.237 2262 P CA -0.370 62.916 63.100 0.311 0.000 0.793 2262 P CB 0.773 32.600 31.700 0.212 0.000 0.977 2263 A N 2.970 126.009 122.820 0.365 0.000 2.350 2263 A HA 0.749 5.062 4.320 -0.012 0.000 0.324 2263 A C -2.354 175.396 177.584 0.276 0.000 1.118 2263 A CA -1.904 50.326 52.037 0.321 0.000 0.783 2263 A CB 0.681 19.922 19.000 0.402 0.000 1.236 2263 A HN 0.406 nan 8.150 nan 0.000 0.457 2264 P HA 0.125 nan 4.420 nan 0.000 0.289 2264 P C 0.032 177.381 177.300 0.082 0.000 1.299 2264 P CA -0.332 62.591 63.100 -0.293 0.000 0.766 2264 P CB 0.424 31.529 31.700 -0.991 0.000 1.226 2265 W N -1.303 119.890 121.300 -0.178 0.000 2.465 2265 W HA -0.003 4.649 4.660 -0.013 0.000 0.268 2265 W C 1.116 177.659 176.519 0.039 0.000 1.242 2265 W CA 0.418 57.764 57.345 0.002 0.000 1.248 2265 W CB -1.906 27.541 29.460 -0.020 0.000 1.118 2265 W HN 0.282 nan 8.180 nan 0.000 0.587 2266 N N 2.129 120.876 118.700 0.078 0.000 2.400 2266 N HA -0.064 4.669 4.740 -0.012 0.000 0.267 2266 N C 1.186 176.708 175.510 0.022 0.000 1.208 2266 N CA 0.558 53.630 53.050 0.037 0.000 0.951 2266 N CB 0.643 39.066 38.487 -0.106 0.000 1.227 2266 N HN 0.315 nan 8.380 nan 0.000 0.488 2267 E N 1.642 121.846 120.200 0.007 0.000 2.204 2267 E HA -0.137 4.206 4.350 -0.012 0.000 0.195 2267 E C 0.980 177.613 176.600 0.055 0.000 0.990 2267 E CA 1.604 57.952 56.400 -0.088 0.000 0.821 2267 E CB -0.448 29.115 29.700 -0.228 0.000 0.750 2267 E HN 0.464 nan 8.360 nan 0.000 0.477 2268 T N 0.479 115.070 114.554 0.062 0.000 2.962 2268 T HA 0.002 4.345 4.350 -0.012 0.000 0.270 2268 T C 1.501 176.246 174.700 0.076 0.000 1.088 2268 T CA 1.324 63.467 62.100 0.072 0.000 1.127 2268 T CB -0.189 68.717 68.868 0.062 0.000 0.883 2268 T HN 0.198 nan 8.240 nan 0.000 0.493 2269 M N 1.156 120.800 119.600 0.073 0.000 2.618 2269 M HA 0.102 4.575 4.480 -0.012 0.000 0.240 2269 M C 0.588 176.970 176.300 0.137 0.000 1.123 2269 M CA 0.696 56.054 55.300 0.096 0.000 1.060 2269 M CB 0.171 32.820 32.600 0.082 0.000 1.535 2269 M HN 0.185 nan 8.290 nan 0.000 0.507 2270 R N -0.418 120.165 120.500 0.140 0.000 2.627 2270 R HA 0.346 4.679 4.340 -0.012 0.000 0.251 2270 R C -3.027 173.350 176.300 0.128 0.000 1.524 2270 R CA -1.391 54.810 56.100 0.168 0.000 1.606 2270 R CB -0.569 29.852 30.300 0.202 0.000 1.396 2270 R HN -0.123 nan 8.270 nan 0.000 0.724 2271 P HA 0.225 nan 4.420 nan 0.000 0.266 2271 P C 0.333 177.561 177.300 -0.121 0.000 1.195 2271 P CA 1.043 64.112 63.100 -0.052 0.000 0.768 2271 P CB 1.122 32.794 31.700 -0.047 0.000 0.838 2272 G N 2.433 111.080 108.800 -0.254 0.000 2.440 2272 G HA2 -0.122 3.831 3.960 -0.012 0.000 0.684 2272 G HA3 -0.122 3.831 3.960 -0.012 0.000 0.684 2272 G C 0.002 174.750 174.900 -0.252 0.000 1.309 2272 G CA -0.478 44.469 45.100 -0.256 0.000 0.931 2272 G HN 0.341 nan 8.290 nan 0.000 0.612 2273 D N 0.184 120.425 120.400 -0.265 0.000 2.350 2273 D HA 0.003 4.636 4.640 -0.012 0.000 0.216 2273 D C 1.415 177.504 176.300 -0.352 0.000 0.968 2273 D CA 1.120 54.980 54.000 -0.234 0.000 0.894 2273 D CB -0.289 40.373 40.800 -0.230 0.000 0.909 2273 D HN 0.724 nan 8.370 nan 0.000 0.520 2274 N N -0.253 118.054 118.700 -0.655 0.000 2.780 2274 N HA -0.183 4.550 4.740 -0.012 0.000 0.248 2274 N C -0.533 174.811 175.510 -0.276 0.000 1.102 2274 N CA 0.207 52.648 53.050 -1.014 0.000 0.697 2274 N CB -0.909 37.055 38.487 -0.871 0.000 1.028 2274 N HN 0.205 nan 8.380 nan 0.000 0.554 2275 K N -0.257 120.000 120.400 -0.239 0.000 2.295 2275 K HA 0.082 4.395 4.320 -0.012 0.000 0.270 2275 K C -0.098 176.605 176.600 0.172 0.000 1.011 2275 K CA 0.223 56.343 56.287 -0.279 0.000 0.953 2275 K CB 0.405 32.251 32.500 -1.090 0.000 0.956 2275 K HN 0.242 nan 8.250 nan 0.000 0.477 2276 W N 2.101 123.608 121.300 0.345 0.000 2.385 2276 W HA 0.073 4.725 4.660 -0.012 0.000 0.393 2276 W C 0.429 177.125 176.519 0.295 0.000 0.720 2276 W CA -0.536 56.975 57.345 0.278 0.000 2.575 2276 W CB 0.049 29.733 29.460 0.373 0.000 1.693 2276 W HN 0.550 nan 8.180 nan 0.000 0.767 2277 T N -2.170 112.625 114.554 0.400 0.000 2.795 2277 T HA 0.089 4.432 4.350 -0.012 0.000 0.314 2277 T C 1.134 175.965 174.700 0.218 0.000 1.069 2277 T CA -0.093 62.201 62.100 0.324 0.000 1.071 2277 T CB 0.660 69.708 68.868 0.301 0.000 0.988 2277 T HN 0.189 nan 8.240 nan 0.000 0.543 2278 M N -0.617 119.096 119.600 0.189 0.000 2.461 2278 M HA -0.144 4.329 4.480 -0.012 0.000 0.203 2278 M C -0.073 176.248 176.300 0.035 0.000 0.428 2278 M CA 0.742 56.110 55.300 0.113 0.000 0.509 2278 M CB -3.291 29.363 32.600 0.091 0.000 1.851 2278 M HN 0.920 nan 8.290 nan 0.000 0.834 2279 T N 0.597 115.187 114.554 0.060 0.000 2.841 2279 T HA 0.712 5.055 4.350 -0.012 0.000 0.283 2279 T C 0.613 175.215 174.700 -0.165 0.000 1.000 2279 T CA -0.616 61.430 62.100 -0.089 0.000 0.977 2279 T CB 2.076 70.898 68.868 -0.076 0.000 0.979 2279 T HN 0.257 nan 8.240 nan 0.000 0.446 2280 I N 3.721 124.156 120.570 -0.225 0.000 2.363 2280 I HA 0.258 4.421 4.170 -0.012 0.000 0.292 2280 I C -0.568 175.389 176.117 -0.266 0.000 1.075 2280 I CA -0.060 61.114 61.300 -0.210 0.000 1.333 2280 I CB 0.010 37.948 38.000 -0.104 0.000 1.415 2280 I HN 0.450 nan 8.210 nan 0.000 0.502 2281 F N 3.591 123.302 119.950 -0.400 0.000 2.458 2281 F HA 0.606 5.126 4.527 -0.012 0.000 0.330 2281 F C 0.860 176.312 175.800 -0.579 0.000 1.082 2281 F CA -0.549 57.139 58.000 -0.520 0.000 0.995 2281 F CB 1.976 40.518 39.000 -0.763 0.000 1.170 2281 F HN 0.352 nan 8.300 nan 0.000 0.478 2282 G N 3.187 111.577 108.800 -0.683 0.000 2.588 2282 G HA2 0.597 4.550 3.960 -0.012 0.000 0.312 2282 G HA3 0.597 4.550 3.960 -0.012 0.000 0.312 2282 G C -0.929 173.730 174.900 -0.401 0.000 1.257 2282 G CA -0.690 43.953 45.100 -0.763 0.000 0.994 2282 G HN 0.528 nan 8.290 nan 0.000 0.498 2283 R N 1.728 122.111 120.500 -0.196 0.000 2.562 2283 R HA 0.246 4.579 4.340 -0.012 0.000 0.298 2283 R C -1.009 175.185 176.300 -0.176 0.000 0.961 2283 R CA -0.874 55.132 56.100 -0.157 0.000 0.881 2283 R CB 2.362 32.609 30.300 -0.088 0.000 1.159 2283 R HN 0.641 nan 8.270 nan 0.000 0.450 2284 D N 1.346 121.612 120.400 -0.224 0.000 2.458 2284 D HA 0.022 4.655 4.640 -0.012 0.000 0.243 2284 D C 1.026 177.236 176.300 -0.150 0.000 1.146 2284 D CA 0.267 54.165 54.000 -0.169 0.000 0.877 2284 D CB 1.160 41.848 40.800 -0.186 0.000 1.176 2284 D HN 0.597 nan 8.370 nan 0.000 0.461 2285 A N 3.816 126.642 122.820 0.010 0.000 1.969 2285 A HA -0.161 4.152 4.320 -0.012 0.000 0.218 2285 A C 1.682 179.386 177.584 0.200 0.000 1.169 2285 A CA 1.268 53.372 52.037 0.112 0.000 0.635 2285 A CB -0.131 18.899 19.000 0.051 0.000 0.810 2285 A HN 0.716 nan 8.150 nan 0.000 0.445 2286 D N -1.143 119.304 120.400 0.077 0.000 2.216 2286 D HA -0.056 4.577 4.640 -0.012 0.000 0.208 2286 D C 1.989 178.314 176.300 0.042 0.000 0.960 2286 D CA 1.929 55.991 54.000 0.104 0.000 0.861 2286 D CB -0.105 40.721 40.800 0.044 0.000 0.985 2286 D HN 0.628 nan 8.370 nan 0.000 0.493 2287 T N -3.821 110.581 114.554 -0.252 0.000 2.971 2287 T HA 0.361 4.704 4.350 -0.012 0.000 0.252 2287 T C 1.701 175.739 174.700 -1.104 0.000 1.022 2287 T CA 0.862 62.707 62.100 -0.425 0.000 0.980 2287 T CB 1.114 69.825 68.868 -0.262 0.000 1.044 2287 T HN 0.155 nan 8.240 nan 0.000 0.501 2288 G N 1.590 109.405 108.800 -1.642 0.000 2.205 2288 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.261 2288 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.261 2288 G C -0.144 174.198 174.900 -0.931 0.000 0.980 2288 G CA 0.126 43.943 45.100 -2.139 0.000 0.632 2288 G HN 0.663 nan 8.290 nan 0.000 0.533 2289 E N 1.092 120.949 120.200 -0.571 0.000 2.376 2289 E HA 0.441 4.784 4.350 -0.012 0.000 0.266 2289 E C 0.767 177.216 176.600 -0.252 0.000 1.009 2289 E CA 0.248 56.445 56.400 -0.337 0.000 0.902 2289 E CB 0.876 30.439 29.700 -0.227 0.000 0.972 2289 E HN 0.663 nan 8.360 nan 0.000 0.439 2290 A N 3.604 126.307 122.820 -0.195 0.000 2.454 2290 A HA 0.027 4.340 4.320 -0.012 0.000 0.260 2290 A C 0.985 178.639 177.584 0.117 0.000 1.106 2290 A CA -0.160 51.855 52.037 -0.036 0.000 0.780 2290 A CB 0.536 19.553 19.000 0.028 0.000 1.044 2290 A HN 0.546 nan 8.150 nan 0.000 0.498 2291 K N 2.093 122.522 120.400 0.048 0.000 2.166 2291 K HA 0.172 4.485 4.320 -0.012 0.000 0.201 2291 K C -0.086 176.623 176.600 0.183 0.000 1.052 2291 K CA 1.260 57.609 56.287 0.102 0.000 0.969 2291 K CB -0.055 32.471 32.500 0.043 0.000 0.761 2291 K HN 0.781 nan 8.250 nan 0.000 0.459 2292 F N -2.843 117.160 119.950 0.089 0.000 2.645 2292 F HA 0.720 5.240 4.527 -0.012 0.000 0.310 2292 F C -0.582 175.162 175.800 -0.094 0.000 1.102 2292 F CA -1.288 56.637 58.000 -0.125 0.000 0.952 2292 F CB 1.204 40.156 39.000 -0.081 0.000 1.326 2292 F HN -0.137 nan 8.300 nan 0.000 0.456 2293 G N 1.181 109.951 108.800 -0.050 0.000 2.668 2293 G HA2 0.459 4.412 3.960 -0.012 0.000 0.284 2293 G HA3 0.459 4.412 3.960 -0.012 0.000 0.284 2293 G C -2.876 171.965 174.900 -0.098 0.000 1.456 2293 G CA -0.702 44.173 45.100 -0.375 0.000 1.214 2293 G HN 0.936 nan 8.290 nan 0.000 0.568 2294 Y N 2.355 122.509 120.300 -0.244 0.000 2.356 2294 Y HA 0.536 5.079 4.550 -0.012 0.000 0.334 2294 Y C 0.313 176.034 175.900 -0.298 0.000 0.958 2294 Y CA -0.903 56.938 58.100 -0.431 0.000 1.196 2294 Y CB 1.680 39.790 38.460 -0.582 0.000 1.137 2294 Y HN 0.514 nan 8.280 nan 0.000 0.485 2295 Q N 6.223 125.567 119.800 -0.761 0.000 2.323 2295 Q HA 0.157 4.490 4.340 -0.012 0.000 0.257 2295 Q C 0.335 175.778 176.000 -0.928 0.000 1.022 2295 Q CA -0.054 55.396 55.803 -0.588 0.000 0.919 2295 Q CB 0.887 29.437 28.738 -0.314 0.000 1.220 2295 Q HN 0.879 nan 8.270 nan 0.000 0.427 2296 K N 1.525 121.540 120.400 -0.643 0.000 2.062 2296 K HA 0.011 4.324 4.320 -0.012 0.000 0.205 2296 K C 0.121 176.636 176.600 -0.142 0.000 1.051 2296 K CA 1.000 57.019 56.287 -0.447 0.000 0.941 2296 K CB 0.463 32.771 32.500 -0.320 0.000 0.719 2296 K HN 0.392 nan 8.250 nan 0.000 0.440 2297 T N 2.980 117.512 114.554 -0.037 0.000 3.241 2297 T HA 0.252 4.595 4.350 -0.012 0.000 0.387 2297 T C -2.742 172.000 174.700 0.069 0.000 1.451 2297 T CA -1.506 60.683 62.100 0.149 0.000 1.363 2297 T CB 1.431 70.498 68.868 0.332 0.000 1.074 2297 T HN -0.137 nan 8.240 nan 0.000 0.598 2298 P HA 0.084 nan 4.420 nan 0.000 0.265 2298 P C 0.105 177.434 177.300 0.048 0.000 1.193 2298 P CA 0.249 63.327 63.100 -0.037 0.000 0.765 2298 P CB 0.076 31.732 31.700 -0.074 0.000 0.823 2299 H N 0.179 119.166 119.070 -0.138 0.000 2.604 2299 H HA -0.256 4.294 4.556 -0.011 0.000 0.324 2299 H C -0.217 175.018 175.328 -0.156 0.000 1.068 2299 H CA 0.356 56.300 56.048 -0.174 0.000 1.091 2299 H CB -1.522 28.133 29.762 -0.178 0.000 1.611 2299 H HN 0.385 nan 8.280 nan 0.000 0.387 2300 D N 1.336 121.565 120.400 -0.286 0.000 2.525 2300 D HA 0.000 4.633 4.640 -0.012 0.000 0.235 2300 D C 0.914 176.795 176.300 -0.698 0.000 1.137 2300 D CA 1.005 54.836 54.000 -0.281 0.000 0.868 2300 D CB 0.683 41.410 40.800 -0.120 0.000 1.180 2300 D HN 0.749 nan 8.370 nan 0.000 0.465 2301 E N 2.356 121.853 120.200 -1.172 0.000 2.601 2301 E HA 0.122 4.465 4.350 -0.012 0.000 0.219 2301 E C 0.116 175.619 176.600 -1.828 0.000 0.964 2301 E CA -0.237 55.199 56.400 -1.606 0.000 1.050 2301 E CB 0.645 29.104 29.700 -2.067 0.000 1.068 2301 E HN 0.636 nan 8.360 nan 0.000 0.496 2302 W N 0.385 121.108 121.300 -0.961 0.000 2.079 2302 W HA 0.160 4.813 4.660 -0.013 0.000 0.285 2302 W C -0.053 175.979 176.519 -0.811 0.000 0.891 2302 W CA -0.420 56.166 57.345 -1.265 0.000 1.308 2302 W CB 0.528 28.948 29.460 -1.733 0.000 1.047 2302 W HN 0.038 nan 8.180 nan 0.000 0.522 2303 D N 0.882 121.031 120.400 -0.418 0.000 2.699 2303 D HA -0.263 4.370 4.640 -0.012 0.000 0.239 2303 D C -0.451 175.847 176.300 -0.004 0.000 1.136 2303 D CA 0.722 54.499 54.000 -0.372 0.000 0.668 2303 D CB -1.560 38.685 40.800 -0.926 0.000 1.060 2303 D HN 0.061 nan 8.370 nan 0.000 0.429 2304 Y N -0.007 120.348 120.300 0.092 0.000 2.971 2304 Y HA 0.531 5.074 4.550 -0.012 0.000 0.384 2304 Y C 1.230 177.212 175.900 0.136 0.000 1.166 2304 Y CA -0.661 57.511 58.100 0.119 0.000 1.973 2304 Y CB -0.695 37.822 38.460 0.095 0.000 2.082 2304 Y HN 0.324 nan 8.280 nan 0.000 0.420 2305 A N 0.388 123.396 122.820 0.313 0.000 2.573 2305 A HA 0.245 4.558 4.320 -0.012 0.000 0.250 2305 A C 1.592 179.277 177.584 0.169 0.000 1.049 2305 A CA 0.660 52.864 52.037 0.278 0.000 0.767 2305 A CB -0.054 19.206 19.000 0.433 0.000 0.965 2305 A HN 0.755 nan 8.150 nan 0.000 0.514 2306 G N 1.514 110.394 108.800 0.134 0.000 3.374 2306 G HA2 0.282 4.235 3.960 -0.012 0.000 0.252 2306 G HA3 0.282 4.235 3.960 -0.012 0.000 0.252 2306 G C 0.736 175.668 174.900 0.053 0.000 1.326 2306 G CA 0.612 45.775 45.100 0.104 0.000 1.133 2306 G HN 1.547 nan 8.290 nan 0.000 0.528 2307 V N -3.260 116.584 119.914 -0.117 0.000 3.649 2307 V HA 0.227 4.340 4.120 -0.012 0.000 0.275 2307 V C 0.474 176.486 176.094 -0.137 0.000 1.281 2307 V CA -0.923 61.206 62.300 -0.285 0.000 1.143 2307 V CB -0.782 30.477 31.823 -0.940 0.000 0.892 2307 V HN 0.076 nan 8.190 nan 0.000 0.441 2308 N N 0.901 119.634 118.700 0.055 0.000 2.317 2308 N HA 0.263 4.996 4.740 -0.012 0.000 0.245 2308 N C -0.041 175.614 175.510 0.241 0.000 1.294 2308 N CA -0.143 52.954 53.050 0.080 0.000 0.924 2308 N CB 1.165 39.582 38.487 -0.117 0.000 1.186 2308 N HN 0.201 nan 8.380 nan 0.000 0.495 2309 V N 1.359 121.390 119.914 0.195 0.000 2.843 2309 V HA -0.065 4.048 4.120 -0.012 0.000 0.305 2309 V C -0.134 176.023 176.094 0.106 0.000 1.120 2309 V CA 0.507 62.843 62.300 0.060 0.000 1.254 2309 V CB -0.027 31.606 31.823 -0.316 0.000 0.901 2309 V HN 0.399 nan 8.190 nan 0.000 0.503 2310 M N 8.012 127.646 119.600 0.056 0.000 2.167 2310 M HA 0.507 4.980 4.480 -0.012 0.000 0.333 2310 M C -0.714 175.616 176.300 0.050 0.000 1.030 2310 M CA -0.019 55.318 55.300 0.061 0.000 0.963 2310 M CB 1.393 34.052 32.600 0.098 0.000 1.589 2310 M HN 0.572 nan 8.290 nan 0.000 0.431 2311 M N 4.859 124.480 119.600 0.035 0.000 2.190 2311 M HA 0.555 5.028 4.480 -0.012 0.000 0.312 2311 M C -0.851 175.475 176.300 0.044 0.000 0.990 2311 M CA -0.451 54.909 55.300 0.100 0.000 0.927 2311 M CB 2.184 34.912 32.600 0.214 0.000 1.571 2311 M HN 0.515 nan 8.290 nan 0.000 0.427 2312 L N 2.214 123.460 121.223 0.038 0.000 2.360 2312 L HA 0.800 5.133 4.340 -0.012 0.000 0.271 2312 L C 0.299 177.102 176.870 -0.112 0.000 1.057 2312 L CA -0.429 54.387 54.840 -0.039 0.000 0.803 2312 L CB 1.623 43.691 42.059 0.014 0.000 1.207 2312 L HN 0.871 nan 8.230 nan 0.000 0.445 2313 S N 0.439 116.049 115.700 -0.150 0.000 2.611 2313 S HA 0.468 4.931 4.470 -0.012 0.000 0.268 2313 S C -1.318 173.227 174.600 -0.090 0.000 1.156 2313 S CA -0.951 57.131 58.200 -0.197 0.000 0.817 2313 S CB 2.293 65.177 63.200 -0.528 0.000 1.122 2313 S HN 0.683 nan 8.310 nan 0.000 0.466 2314 E N 0.323 120.499 120.200 -0.040 0.000 2.244 2314 E HA 0.518 4.861 4.350 -0.012 0.000 0.260 2314 E C -1.409 175.184 176.600 -0.010 0.000 0.884 2314 E CA -0.331 56.055 56.400 -0.023 0.000 0.777 2314 E CB 1.350 31.046 29.700 -0.008 0.000 1.197 2314 E HN 0.645 nan 8.360 nan 0.000 0.416 2315 Q N 2.523 122.310 119.800 -0.021 0.000 2.456 2315 Q HA 0.386 4.719 4.340 -0.012 0.000 0.284 2315 Q C -1.176 174.807 176.000 -0.029 0.000 1.061 2315 Q CA -1.087 54.706 55.803 -0.018 0.000 0.799 2315 Q CB 2.530 31.260 28.738 -0.013 0.000 1.445 2315 Q HN 0.293 nan 8.270 nan 0.000 0.411 2316 K N 1.746 122.128 120.400 -0.031 0.000 2.298 2316 K HA 0.092 4.405 4.320 -0.012 0.000 0.280 2316 K C -0.405 176.170 176.600 -0.043 0.000 1.032 2316 K CA -0.248 56.018 56.287 -0.035 0.000 0.958 2316 K CB 0.471 32.952 32.500 -0.032 0.000 0.978 2316 K HN 0.531 nan 8.250 nan 0.000 0.472 2317 D N 1.558 121.931 120.400 -0.045 0.000 2.447 2317 D HA 0.036 4.669 4.640 -0.012 0.000 0.265 2317 D C 0.495 176.766 176.300 -0.048 0.000 1.250 2317 D CA -0.280 53.690 54.000 -0.051 0.000 1.046 2317 D CB 0.566 41.334 40.800 -0.053 0.000 1.095 2317 D HN 0.225 nan 8.370 nan 0.000 0.555 2318 K N -1.160 119.210 120.400 -0.050 0.000 2.362 2318 K HA -0.058 4.255 4.320 -0.012 0.000 0.200 2318 K C 0.316 176.892 176.600 -0.039 0.000 1.046 2318 K CA 0.877 57.137 56.287 -0.046 0.000 0.952 2318 K CB 0.031 32.503 32.500 -0.046 0.000 0.753 2318 K HN 0.388 nan 8.250 nan 0.000 0.466 2319 D N -0.605 119.772 120.400 -0.038 0.000 2.328 2319 D HA 0.053 4.686 4.640 -0.012 0.000 0.221 2319 D C 0.946 177.227 176.300 -0.031 0.000 1.072 2319 D CA 0.523 54.503 54.000 -0.033 0.000 0.850 2319 D CB 0.934 41.714 40.800 -0.033 0.000 0.922 2319 D HN 0.358 nan 8.370 nan 0.000 0.516 2320 G N 0.292 109.073 108.800 -0.032 0.000 2.175 2320 G HA2 -0.238 3.715 3.960 -0.012 0.000 0.244 2320 G HA3 -0.238 3.715 3.960 -0.012 0.000 0.244 2320 G C 0.579 175.462 174.900 -0.029 0.000 0.982 2320 G CA 0.406 45.488 45.100 -0.029 0.000 0.641 2320 G HN 0.673 nan 8.290 nan 0.000 0.527 2321 K N -0.027 120.354 120.400 -0.032 0.000 2.143 2321 K HA 0.954 5.267 4.320 -0.012 0.000 0.272 2321 K C 0.475 177.056 176.600 -0.032 0.000 1.001 2321 K CA 0.426 56.695 56.287 -0.030 0.000 0.915 2321 K CB 1.221 33.702 32.500 -0.032 0.000 1.047 2321 K HN 1.931 nan 8.250 nan 0.000 0.458 2322 A N 3.311 126.115 122.820 -0.027 0.000 2.492 2322 A HA 0.523 4.836 4.320 -0.012 0.000 0.254 2322 A C -0.078 177.487 177.584 -0.031 0.000 1.091 2322 A CA -0.268 51.753 52.037 -0.027 0.000 0.768 2322 A CB 0.018 19.006 19.000 -0.020 0.000 1.028 2322 A HN 0.651 nan 8.150 nan 0.000 0.498 2323 R N 2.192 122.671 120.500 -0.036 0.000 2.686 2323 R HA 0.381 4.714 4.340 -0.012 0.000 0.286 2323 R C -1.005 175.269 176.300 -0.044 0.000 0.969 2323 R CA -0.697 55.377 56.100 -0.044 0.000 0.898 2323 R CB 1.746 32.012 30.300 -0.057 0.000 1.183 2323 R HN 0.728 nan 8.270 nan 0.000 0.456 2324 K N 2.741 123.114 120.400 -0.045 0.000 2.276 2324 K HA 0.442 4.755 4.320 -0.012 0.000 0.285 2324 K C -0.194 176.357 176.600 -0.081 0.000 1.062 2324 K CA -0.152 56.105 56.287 -0.049 0.000 0.918 2324 K CB 0.820 33.305 32.500 -0.026 0.000 1.055 2324 K HN 0.291 nan 8.250 nan 0.000 0.477 2325 L N 3.775 124.938 121.223 -0.101 0.000 2.323 2325 L HA 0.586 4.919 4.340 -0.012 0.000 0.265 2325 L C -0.833 175.931 176.870 -0.177 0.000 1.012 2325 L CA -1.538 53.222 54.840 -0.133 0.000 0.820 2325 L CB 1.399 43.393 42.059 -0.108 0.000 1.334 2325 L HN 0.435 nan 8.230 nan 0.000 0.427 2326 L N -1.125 119.976 121.223 -0.204 0.000 2.362 2326 L HA 0.869 5.202 4.340 -0.012 0.000 0.271 2326 L C -0.553 176.218 176.870 -0.164 0.000 1.002 2326 L CA -0.151 54.566 54.840 -0.205 0.000 0.818 2326 L CB 1.994 43.883 42.059 -0.283 0.000 1.298 2326 L HN 0.358 nan 8.230 nan 0.000 0.420 2327 T N 1.747 116.196 114.554 -0.176 0.000 2.861 2327 T HA 0.475 4.818 4.350 -0.012 0.000 0.287 2327 T C -1.422 173.187 174.700 -0.153 0.000 1.003 2327 T CA -0.278 61.655 62.100 -0.278 0.000 0.977 2327 T CB 0.638 69.049 68.868 -0.762 0.000 0.996 2327 T HN 0.827 nan 8.240 nan 0.000 0.448 2328 H N 4.101 123.039 119.070 -0.219 0.000 3.239 2328 H HA 0.286 4.835 4.556 -0.012 0.000 0.320 2328 H C -3.055 172.187 175.328 -0.142 0.000 1.074 2328 H CA -1.973 53.986 56.048 -0.147 0.000 1.553 2328 H CB 2.086 31.815 29.762 -0.055 0.000 1.752 2328 H HN 0.296 nan 8.280 nan 0.000 0.513 2329 P HA 0.141 nan 4.420 nan 0.000 0.291 2329 P C -0.491 176.467 177.300 -0.570 0.000 1.340 2329 P CA -0.143 62.654 63.100 -0.507 0.000 0.799 2329 P CB 1.524 32.875 31.700 -0.581 0.000 0.917 2330 D N 2.198 122.377 120.400 -0.369 0.000 2.294 2330 D HA 0.144 4.777 4.640 -0.012 0.000 0.250 2330 D C 1.659 177.874 176.300 -0.141 0.000 1.058 2330 D CA -0.613 53.233 54.000 -0.257 0.000 0.950 2330 D CB 1.087 41.872 40.800 -0.025 0.000 1.158 2330 D HN 0.039 nan 8.370 nan 0.000 0.453 2331 R N 1.416 121.874 120.500 -0.071 0.000 2.133 2331 R HA -0.184 4.149 4.340 -0.012 0.000 0.247 2331 R C 1.303 177.369 176.300 -0.389 0.000 1.151 2331 R CA 1.384 57.456 56.100 -0.045 0.000 0.971 2331 R CB -0.824 29.562 30.300 0.143 0.000 0.866 2331 R HN 0.604 nan 8.270 nan 0.000 0.447 2332 N N -0.292 118.071 118.700 -0.562 0.000 2.571 2332 N HA -0.055 4.678 4.740 -0.012 0.000 0.189 2332 N C 1.051 176.043 175.510 -0.865 0.000 1.154 2332 N CA 1.253 53.585 53.050 -1.196 0.000 0.907 2332 N CB 0.013 38.154 38.487 -0.576 0.000 0.977 2332 N HN 0.341 nan 8.380 nan 0.000 0.449 2333 G N -0.976 107.527 108.800 -0.495 0.000 2.176 2333 G HA2 -0.177 3.776 3.960 -0.012 0.000 0.232 2333 G HA3 -0.177 3.776 3.960 -0.012 0.000 0.232 2333 G C -0.413 174.340 174.900 -0.244 0.000 0.986 2333 G CA 0.165 45.042 45.100 -0.372 0.000 0.643 2333 G HN 0.277 nan 8.290 nan 0.000 0.522 2334 I N 1.183 121.607 120.570 -0.244 0.000 2.404 2334 I HA 0.596 4.759 4.170 -0.012 0.000 0.293 2334 I C 0.291 176.151 176.117 -0.429 0.000 0.992 2334 I CA -1.266 59.822 61.300 -0.354 0.000 1.149 2334 I CB 1.468 39.171 38.000 -0.495 0.000 1.315 2334 I HN -0.012 nan 8.210 nan 0.000 0.446 2335 V N 8.184 127.832 119.914 -0.443 0.000 2.350 2335 V HA 0.375 4.488 4.120 -0.012 0.000 0.276 2335 V C -0.991 174.867 176.094 -0.394 0.000 1.028 2335 V CA -0.255 61.806 62.300 -0.397 0.000 0.860 2335 V CB 0.745 32.287 31.823 -0.468 0.000 0.990 2335 V HN 0.494 nan 8.190 nan 0.000 0.453 2336 Y N 3.747 123.968 120.300 -0.132 0.000 2.323 2336 Y HA 0.592 5.135 4.550 -0.012 0.000 0.331 2336 Y C 0.834 176.663 175.900 -0.118 0.000 1.092 2336 Y CA -0.376 57.672 58.100 -0.087 0.000 1.150 2336 Y CB 1.971 40.428 38.460 -0.005 0.000 1.200 2336 Y HN 0.536 nan 8.280 nan 0.000 0.472 2337 T N 5.180 119.732 114.554 -0.002 0.000 2.840 2337 T HA 0.596 4.939 4.350 -0.012 0.000 0.287 2337 T C -1.046 173.596 174.700 -0.098 0.000 0.991 2337 T CA -0.563 61.489 62.100 -0.079 0.000 0.964 2337 T CB 0.596 69.398 68.868 -0.110 0.000 0.954 2337 T HN 0.195 nan 8.240 nan 0.000 0.438 2338 L N 2.417 123.560 121.223 -0.133 0.000 2.341 2338 L HA 0.490 4.823 4.340 -0.012 0.000 0.267 2338 L C 0.202 176.955 176.870 -0.195 0.000 1.009 2338 L CA -0.813 53.914 54.840 -0.188 0.000 0.819 2338 L CB 1.543 43.457 42.059 -0.241 0.000 1.323 2338 L HN 0.554 nan 8.230 nan 0.000 0.425 2339 D N 1.557 121.832 120.400 -0.208 0.000 2.401 2339 D HA 0.015 4.648 4.640 -0.012 0.000 0.254 2339 D C 0.946 177.109 176.300 -0.228 0.000 1.192 2339 D CA -0.062 53.825 54.000 -0.188 0.000 0.885 2339 D CB 1.009 41.711 40.800 -0.163 0.000 1.147 2339 D HN 0.619 nan 8.370 nan 0.000 0.478 2340 R N 1.581 121.991 120.500 -0.149 0.000 2.313 2340 R HA -0.033 4.300 4.340 -0.012 0.000 0.199 2340 R C 1.352 177.764 176.300 0.188 0.000 0.958 2340 R CA 0.822 56.884 56.100 -0.064 0.000 1.047 2340 R CB -0.271 29.842 30.300 -0.311 0.000 0.955 2340 R HN 0.370 nan 8.270 nan 0.000 0.481 2341 T N -1.721 112.874 114.554 0.069 0.000 3.009 2341 T HA -0.023 4.320 4.350 -0.012 0.000 0.258 2341 T C 0.958 175.724 174.700 0.109 0.000 1.063 2341 T CA 0.804 62.977 62.100 0.123 0.000 1.139 2341 T CB 0.170 69.066 68.868 0.048 0.000 0.890 2341 T HN 0.479 nan 8.240 nan 0.000 0.471 2342 D N -0.900 119.458 120.400 -0.069 0.000 2.516 2342 D HA 0.284 4.917 4.640 -0.012 0.000 0.241 2342 D C 1.492 177.515 176.300 -0.462 0.000 1.246 2342 D CA 0.406 54.328 54.000 -0.129 0.000 0.808 2342 D CB -0.273 40.465 40.800 -0.104 0.000 1.147 2342 D HN 0.554 nan 8.370 nan 0.000 0.527 2343 G N 0.233 108.483 108.800 -0.918 0.000 2.175 2343 G HA2 -0.110 3.843 3.960 -0.012 0.000 0.244 2343 G HA3 -0.110 3.843 3.960 -0.012 0.000 0.244 2343 G C 0.631 175.258 174.900 -0.456 0.000 0.982 2343 G CA 0.143 44.548 45.100 -1.158 0.000 0.641 2343 G HN 0.903 nan 8.290 nan 0.000 0.527 2344 A N 0.434 123.062 122.820 -0.320 0.000 2.531 2344 A HA 0.567 4.880 4.320 -0.012 0.000 0.236 2344 A C 0.805 178.291 177.584 -0.163 0.000 1.062 2344 A CA 0.227 52.155 52.037 -0.182 0.000 0.760 2344 A CB 0.239 19.149 19.000 -0.151 0.000 0.995 2344 A HN 0.945 nan 8.150 nan 0.000 0.501 2345 L N 3.335 124.495 121.223 -0.104 0.000 2.410 2345 L HA 0.131 4.464 4.340 -0.012 0.000 0.273 2345 L C 0.888 177.695 176.870 -0.106 0.000 1.144 2345 L CA -0.307 54.444 54.840 -0.149 0.000 0.863 2345 L CB 1.099 43.066 42.059 -0.152 0.000 1.140 2345 L HN 0.649 nan 8.230 nan 0.000 0.463 2346 V N 1.303 121.152 119.914 -0.108 0.000 2.806 2346 V HA 0.106 4.219 4.120 -0.012 0.000 0.239 2346 V C 0.564 176.612 176.094 -0.077 0.000 1.113 2346 V CA 0.872 63.119 62.300 -0.088 0.000 1.137 2346 V CB 0.940 32.706 31.823 -0.094 0.000 0.865 2346 V HN 0.867 nan 8.190 nan 0.000 0.482 2347 S N -0.755 114.899 115.700 -0.077 0.000 2.570 2347 S HA 0.839 5.302 4.470 -0.012 0.000 0.270 2347 S C -0.930 173.618 174.600 -0.087 0.000 1.149 2347 S CA -0.045 58.113 58.200 -0.071 0.000 0.837 2347 S CB 2.341 65.502 63.200 -0.064 0.000 1.124 2347 S HN 0.947 nan 8.310 nan 0.000 0.465 2348 A N 2.186 124.935 122.820 -0.118 0.000 2.768 2348 A HA 0.661 4.974 4.320 -0.012 0.000 0.298 2348 A C -1.138 176.318 177.584 -0.213 0.000 1.159 2348 A CA -0.720 51.164 52.037 -0.254 0.000 0.783 2348 A CB 0.188 19.049 19.000 -0.233 0.000 1.333 2348 A HN 0.663 nan 8.150 nan 0.000 0.412 2349 N N 1.139 119.722 118.700 -0.195 0.000 2.384 2349 N HA 0.364 5.097 4.740 -0.012 0.000 0.301 2349 N C -0.695 174.736 175.510 -0.132 0.000 1.133 2349 N CA -0.491 52.500 53.050 -0.099 0.000 0.853 2349 N CB 1.652 40.154 38.487 0.026 0.000 1.241 2349 N HN 0.552 nan 8.380 nan 0.000 0.502 2350 K N 1.189 121.552 120.400 -0.062 0.000 2.401 2350 K HA 0.159 4.472 4.320 -0.012 0.000 0.278 2350 K C 1.241 177.821 176.600 -0.032 0.000 1.018 2350 K CA -0.122 56.126 56.287 -0.066 0.000 0.981 2350 K CB 0.946 33.422 32.500 -0.040 0.000 0.933 2350 K HN 0.390 nan 8.250 nan 0.000 0.477 2351 L N 1.137 122.325 121.223 -0.059 0.000 2.201 2351 L HA -0.119 4.214 4.340 -0.012 0.000 0.212 2351 L C 0.453 177.245 176.870 -0.130 0.000 1.105 2351 L CA 1.089 55.896 54.840 -0.054 0.000 0.775 2351 L CB -0.080 41.978 42.059 -0.002 0.000 0.913 2351 L HN 0.742 nan 8.230 nan 0.000 0.440 2352 D N -2.305 118.075 120.400 -0.034 0.000 2.736 2352 D HA 0.049 4.682 4.640 -0.012 0.000 0.223 2352 D C -0.119 176.186 176.300 0.008 0.000 1.231 2352 D CA -0.492 53.469 54.000 -0.065 0.000 0.818 2352 D CB 1.200 41.976 40.800 -0.040 0.000 1.587 2352 D HN 0.006 nan 8.370 nan 0.000 0.463 2353 D N 0.404 120.789 120.400 -0.024 0.000 2.378 2353 D HA -0.128 4.505 4.640 -0.012 0.000 0.222 2353 D C 1.410 177.718 176.300 0.013 0.000 0.980 2353 D CA 1.162 55.158 54.000 -0.006 0.000 0.907 2353 D CB -0.571 40.221 40.800 -0.013 0.000 0.899 2353 D HN 0.380 nan 8.370 nan 0.000 0.527 2354 T N -2.375 112.221 114.554 0.070 0.000 3.113 2354 T HA 0.080 4.423 4.350 -0.012 0.000 0.256 2354 T C 0.928 175.616 174.700 -0.020 0.000 1.131 2354 T CA -0.366 61.773 62.100 0.065 0.000 1.074 2354 T CB -0.594 68.372 68.868 0.164 0.000 0.944 2354 T HN -0.033 nan 8.240 nan 0.000 0.516 2355 V N 4.506 124.387 119.914 -0.054 0.000 2.539 2355 V HA 0.072 4.185 4.120 -0.012 0.000 0.300 2355 V C 1.159 177.081 176.094 -0.287 0.000 1.019 2355 V CA 0.480 62.610 62.300 -0.283 0.000 1.160 2355 V CB -0.261 31.392 31.823 -0.283 0.000 0.901 2355 V HN 0.793 nan 8.190 nan 0.000 0.481 2356 N N 3.777 122.228 118.700 -0.416 0.000 2.159 2356 N HA -0.005 4.728 4.740 -0.012 0.000 0.217 2356 N C 0.812 176.088 175.510 -0.391 0.000 1.223 2356 N CA 0.238 53.031 53.050 -0.429 0.000 0.896 2356 N CB 0.624 38.679 38.487 -0.721 0.000 1.064 2356 N HN 0.337 nan 8.380 nan 0.000 0.518 2357 V N -0.472 119.139 119.914 -0.505 0.000 2.548 2357 V HA 0.211 4.324 4.120 -0.012 0.000 0.249 2357 V C -0.590 175.329 176.094 -0.291 0.000 1.055 2357 V CA 1.195 63.176 62.300 -0.531 0.000 1.065 2357 V CB -0.387 30.800 31.823 -1.060 0.000 0.681 2357 V HN 0.112 nan 8.190 nan 0.000 0.462 2358 F N -0.217 119.621 119.950 -0.186 0.000 2.546 2358 F HA 0.557 5.077 4.527 -0.011 0.000 0.320 2358 F C 0.986 176.743 175.800 -0.071 0.000 1.076 2358 F CA -1.693 56.247 58.000 -0.101 0.000 0.928 2358 F CB 1.541 40.475 39.000 -0.111 0.000 1.189 2358 F HN -0.246 nan 8.300 nan 0.000 0.465 2359 K N 0.572 121.070 120.400 0.164 0.000 2.167 2359 K HA 0.093 4.406 4.320 -0.012 0.000 0.203 2359 K C 0.205 176.841 176.600 0.060 0.000 1.052 2359 K CA 1.093 57.430 56.287 0.083 0.000 0.956 2359 K CB 0.103 32.644 32.500 0.068 0.000 0.735 2359 K HN 0.736 nan 8.250 nan 0.000 0.451 2360 S N -1.271 114.467 115.700 0.064 0.000 2.656 2360 S HA 0.263 4.726 4.470 -0.012 0.000 0.265 2360 S C -1.200 173.387 174.600 -0.022 0.000 1.110 2360 S CA -1.133 57.079 58.200 0.021 0.000 0.821 2360 S CB 1.340 64.543 63.200 0.006 0.000 1.099 2360 S HN -0.172 nan 8.310 nan 0.000 0.471 2361 V N 2.125 122.015 119.914 -0.039 0.000 2.384 2361 V HA 0.468 4.581 4.120 -0.012 0.000 0.287 2361 V C -0.482 175.601 176.094 -0.018 0.000 1.020 2361 V CA -0.522 61.747 62.300 -0.051 0.000 0.850 2361 V CB 1.433 33.238 31.823 -0.029 0.000 0.987 2361 V HN 0.943 nan 8.190 nan 0.000 0.436 2362 D N 4.237 124.633 120.400 -0.007 0.000 2.338 2362 D HA 0.157 4.790 4.640 -0.012 0.000 0.255 2362 D C 1.027 177.347 176.300 0.033 0.000 1.237 2362 D CA 0.026 54.033 54.000 0.011 0.000 0.883 2362 D CB 1.354 42.163 40.800 0.016 0.000 1.087 2362 D HN 0.473 nan 8.370 nan 0.000 0.485 2363 L N 3.711 124.945 121.223 0.018 0.000 2.275 2363 L HA -0.109 4.224 4.340 -0.012 0.000 0.215 2363 L C 2.396 179.295 176.870 0.049 0.000 1.119 2363 L CA 0.700 55.552 54.840 0.021 0.000 0.790 2363 L CB -0.238 41.816 42.059 -0.008 0.000 0.919 2363 L HN 0.361 nan 8.230 nan 0.000 0.443 2364 K N 0.436 120.859 120.400 0.038 0.000 2.276 2364 K HA -0.039 4.274 4.320 -0.012 0.000 0.198 2364 K C 1.841 178.477 176.600 0.060 0.000 1.052 2364 K CA 1.596 57.897 56.287 0.022 0.000 0.984 2364 K CB 0.062 32.550 32.500 -0.020 0.000 0.836 2364 K HN 0.303 nan 8.250 nan 0.000 0.490 2365 T N -3.342 111.272 114.554 0.101 0.000 3.057 2365 T HA 0.193 4.536 4.350 -0.012 0.000 0.254 2365 T C 1.465 176.352 174.700 0.312 0.000 1.094 2365 T CA 0.889 63.091 62.100 0.170 0.000 1.088 2365 T CB -0.030 68.896 68.868 0.096 0.000 0.934 2365 T HN 0.341 nan 8.240 nan 0.000 0.497 2366 G N 1.137 110.095 108.800 0.263 0.000 2.179 2366 G HA2 -0.222 3.731 3.960 -0.012 0.000 0.260 2366 G HA3 -0.222 3.731 3.960 -0.012 0.000 0.260 2366 G C -0.047 174.967 174.900 0.190 0.000 0.977 2366 G CA 0.112 45.384 45.100 0.287 0.000 0.641 2366 G HN 0.662 nan 8.290 nan 0.000 0.533 2367 Q N 0.855 120.706 119.800 0.085 0.000 2.230 2367 Q HA 0.483 4.816 4.340 -0.012 0.000 0.253 2367 Q C -2.400 173.548 176.000 -0.087 0.000 0.919 2367 Q CA -2.030 53.763 55.803 -0.017 0.000 0.908 2367 Q CB 1.894 30.618 28.738 -0.023 0.000 1.245 2367 Q HN 0.354 nan 8.270 nan 0.000 0.437 2368 P HA 0.105 nan 4.420 nan 0.000 0.276 2368 P C -0.436 176.661 177.300 -0.337 0.000 1.235 2368 P CA -0.280 62.527 63.100 -0.488 0.000 0.772 2368 P CB 0.758 31.730 31.700 -1.214 0.000 0.871 2369 V N 5.652 125.451 119.914 -0.192 0.000 2.372 2369 V HA 0.163 4.276 4.120 -0.012 0.000 0.261 2369 V C 1.212 177.336 176.094 0.050 0.000 1.055 2369 V CA -0.289 61.984 62.300 -0.046 0.000 0.930 2369 V CB -0.435 31.384 31.823 -0.006 0.000 1.031 2369 V HN 0.470 nan 8.190 nan 0.000 0.479 2370 R N 2.918 123.483 120.500 0.108 0.000 2.490 2370 R HA 0.254 4.587 4.340 -0.012 0.000 0.280 2370 R C -0.185 176.239 176.300 0.207 0.000 1.077 2370 R CA -0.561 55.695 56.100 0.259 0.000 1.065 2370 R CB 0.677 31.143 30.300 0.277 0.000 1.003 2370 R HN 0.580 nan 8.270 nan 0.000 0.470 2371 D N 3.491 124.034 120.400 0.238 0.000 2.411 2371 D HA 0.142 4.775 4.640 -0.012 0.000 0.225 2371 D C -1.690 174.724 176.300 0.189 0.000 1.156 2371 D CA -2.469 51.652 54.000 0.202 0.000 0.874 2371 D CB 1.445 42.398 40.800 0.254 0.000 1.034 2371 D HN 0.206 nan 8.370 nan 0.000 0.502 2372 P HA -0.104 nan 4.420 nan 0.000 0.221 2372 P C 0.858 178.162 177.300 0.008 0.000 1.145 2372 P CA 0.698 63.842 63.100 0.072 0.000 0.795 2372 P CB 0.392 32.108 31.700 0.026 0.000 0.775 2373 E N -1.802 118.353 120.200 -0.075 0.000 2.409 2373 E HA -0.112 4.231 4.350 -0.012 0.000 0.198 2373 E C 0.408 176.693 176.600 -0.524 0.000 1.024 2373 E CA 0.993 57.205 56.400 -0.313 0.000 0.861 2373 E CB -0.269 29.156 29.700 -0.458 0.000 0.788 2373 E HN 0.510 nan 8.360 nan 0.000 0.521 2374 Y N -0.510 119.864 120.300 0.123 0.000 2.696 2374 Y HA 0.347 4.890 4.550 -0.011 0.000 0.260 2374 Y C 1.224 177.294 175.900 0.284 0.000 1.165 2374 Y CA -0.338 57.850 58.100 0.147 0.000 1.189 2374 Y CB 0.653 39.139 38.460 0.043 0.000 1.180 2374 Y HN -0.143 nan 8.280 nan 0.000 0.538 2375 G N 0.330 109.314 108.800 0.307 0.000 2.588 2375 G HA2 0.452 4.405 3.960 -0.012 0.000 0.281 2375 G HA3 0.452 4.405 3.960 -0.012 0.000 0.281 2375 G C -0.109 174.810 174.900 0.032 0.000 1.236 2375 G CA -0.175 45.068 45.100 0.237 0.000 0.969 2375 G HN 0.123 nan 8.290 nan 0.000 0.504 2376 T N -2.684 111.713 114.554 -0.261 0.000 2.924 2376 T HA 0.815 5.158 4.350 -0.012 0.000 0.291 2376 T C -0.374 174.274 174.700 -0.088 0.000 1.045 2376 T CA -0.853 61.114 62.100 -0.221 0.000 1.015 2376 T CB 2.198 70.659 68.868 -0.677 0.000 1.103 2376 T HN 1.150 nan 8.240 nan 0.000 0.496 2377 R N 1.070 121.624 120.500 0.090 0.000 2.753 2377 R HA 0.388 4.721 4.340 -0.012 0.000 0.272 2377 R C -0.974 175.425 176.300 0.166 0.000 1.034 2377 R CA -1.123 55.033 56.100 0.092 0.000 0.869 2377 R CB 0.703 31.024 30.300 0.035 0.000 1.264 2377 R HN 0.495 nan 8.270 nan 0.000 0.481 2378 M N 1.921 121.597 119.600 0.127 0.000 2.252 2378 M HA 0.046 4.519 4.480 -0.012 0.000 0.329 2378 M C -0.118 176.267 176.300 0.142 0.000 1.101 2378 M CA 1.315 56.695 55.300 0.133 0.000 1.117 2378 M CB -0.467 32.193 32.600 0.099 0.000 1.563 2378 M HN 0.841 nan 8.290 nan 0.000 0.445 2379 D N 0.728 121.214 120.400 0.144 0.000 2.945 2379 D HA -0.224 4.409 4.640 -0.012 0.000 0.225 2379 D C -0.323 176.090 176.300 0.188 0.000 1.158 2379 D CA 1.138 55.218 54.000 0.134 0.000 0.805 2379 D CB -1.537 39.322 40.800 0.099 0.000 1.098 2379 D HN 0.798 nan 8.370 nan 0.000 0.426 2380 H N -0.459 118.663 119.070 0.088 0.000 2.947 2380 H HA 0.509 5.058 4.556 -0.011 0.000 0.354 2380 H C -1.506 173.895 175.328 0.121 0.000 1.085 2380 H CA -0.924 55.176 56.048 0.086 0.000 1.253 2380 H CB 1.178 30.981 29.762 0.068 0.000 1.757 2380 H HN -0.019 nan 8.280 nan 0.000 0.523 2381 L N 4.821 125.817 121.223 -0.378 0.000 2.259 2381 L HA 0.701 5.034 4.340 -0.012 0.000 0.288 2381 L C -0.528 176.024 176.870 -0.530 0.000 1.051 2381 L CA -0.222 54.449 54.840 -0.282 0.000 0.824 2381 L CB -0.047 41.961 42.059 -0.085 0.000 1.206 2381 L HN 0.773 nan 8.230 nan 0.000 0.429 2382 A N 5.809 128.448 122.820 -0.302 0.000 2.363 2382 A HA 0.590 4.903 4.320 -0.012 0.000 0.270 2382 A C -0.127 177.521 177.584 0.107 0.000 1.121 2382 A CA -0.408 51.592 52.037 -0.061 0.000 0.800 2382 A CB 0.237 19.328 19.000 0.151 0.000 1.052 2382 A HN 0.735 nan 8.150 nan 0.000 0.493 2383 K N 1.237 121.725 120.400 0.146 0.000 2.328 2383 K HA 0.398 4.711 4.320 -0.012 0.000 0.246 2383 K C -1.014 175.763 176.600 0.296 0.000 0.955 2383 K CA -0.900 55.511 56.287 0.206 0.000 0.817 2383 K CB 1.448 34.036 32.500 0.146 0.000 1.208 2383 K HN 0.706 nan 8.250 nan 0.000 0.432 2384 D N 1.303 121.900 120.400 0.327 0.000 2.800 2384 D HA -0.173 4.460 4.640 -0.012 0.000 0.232 2384 D C -0.561 175.866 176.300 0.212 0.000 1.137 2384 D CA 0.850 55.037 54.000 0.310 0.000 0.718 2384 D CB -0.844 40.118 40.800 0.270 0.000 1.084 2384 D HN 0.429 nan 8.370 nan 0.000 0.432 2385 I N 0.640 121.320 120.570 0.183 0.000 2.416 2385 I HA 0.099 4.262 4.170 -0.012 0.000 0.288 2385 I C 0.769 176.805 176.117 -0.134 0.000 1.051 2385 I CA -0.066 61.255 61.300 0.036 0.000 1.375 2385 I CB 1.073 39.149 38.000 0.127 0.000 1.407 2385 I HN 0.045 nan 8.210 nan 0.000 0.516 2386 c N 7.585 125.995 118.600 -0.315 0.000 2.364 2386 c HA 0.467 5.030 4.570 -0.012 0.000 0.324 2386 c C -2.268 171.422 174.090 -0.666 0.000 1.234 2386 c CA -1.450 54.624 56.329 -0.426 0.000 1.417 2386 c CB 1.349 43.655 42.510 -0.340 0.000 2.101 2386 c HN 0.464 nan 8.230 nan 0.000 0.466 2387 P HA 0.245 nan 4.420 nan 0.000 0.276 2387 P C -0.029 177.198 177.300 -0.123 0.000 1.252 2387 P CA -0.062 62.661 63.100 -0.628 0.000 0.802 2387 P CB 0.574 31.863 31.700 -0.684 0.000 1.035 2388 S N 0.368 116.067 115.700 -0.003 0.000 2.606 2388 S HA 0.245 4.708 4.470 -0.012 0.000 0.257 2388 S C 1.503 176.260 174.600 0.262 0.000 1.327 2388 S CA 0.172 58.434 58.200 0.104 0.000 0.984 2388 S CB -0.229 62.995 63.200 0.039 0.000 0.941 2388 S HN 0.482 nan 8.310 nan 0.000 0.576 2389 A N 0.905 123.901 122.820 0.293 0.000 2.024 2389 A HA -0.082 4.231 4.320 -0.012 0.000 0.220 2389 A C 2.214 180.069 177.584 0.451 0.000 1.164 2389 A CA 1.692 53.952 52.037 0.372 0.000 0.643 2389 A CB -1.019 18.250 19.000 0.449 0.000 0.806 2389 A HN 0.861 nan 8.150 nan 0.000 0.451 2390 M N -0.993 118.749 119.600 0.235 0.000 2.460 2390 M HA 0.116 4.589 4.480 -0.012 0.000 0.263 2390 M C 1.174 177.713 176.300 0.399 0.000 1.071 2390 M CA 0.830 56.288 55.300 0.262 0.000 1.096 2390 M CB -0.642 31.985 32.600 0.046 0.000 1.408 2390 M HN 0.633 nan 8.290 nan 0.000 0.463 2391 G N -0.721 108.272 108.800 0.322 0.000 2.746 2391 G HA2 -0.240 3.713 3.960 -0.012 0.000 0.685 2391 G HA3 -0.240 3.713 3.960 -0.012 0.000 0.685 2391 G C -0.526 174.545 174.900 0.286 0.000 1.350 2391 G CA -0.810 44.428 45.100 0.231 0.000 0.837 2391 G HN 0.216 nan 8.290 nan 0.000 0.564 2392 Y N 1.002 121.289 120.300 -0.022 0.000 2.490 2392 Y HA 0.266 4.809 4.550 -0.012 0.000 0.281 2392 Y C 1.453 177.384 175.900 0.051 0.000 1.174 2392 Y CA 0.797 58.895 58.100 -0.004 0.000 1.295 2392 Y CB 0.046 38.464 38.460 -0.070 0.000 1.062 2392 Y HN 0.683 nan 8.280 nan 0.000 0.522 2393 H N -0.513 118.607 119.070 0.085 0.000 3.029 2393 H HA 0.271 4.820 4.556 -0.011 0.000 0.358 2393 H C -0.981 174.320 175.328 -0.045 0.000 1.129 2393 H CA -0.377 55.671 56.048 -0.001 0.000 1.230 2393 H CB 1.731 31.466 29.762 -0.045 0.000 1.827 2393 H HN 0.056 nan 8.280 nan 0.000 0.530 2394 N N 0.834 119.496 118.700 -0.063 0.000 3.384 2394 N HA -0.039 4.694 4.740 -0.012 0.000 0.352 2394 N C 0.630 176.139 175.510 -0.001 0.000 1.466 2394 N CA -0.012 52.956 53.050 -0.137 0.000 0.629 2394 N CB 0.916 38.974 38.487 -0.715 0.000 1.810 2394 N HN 0.646 nan 8.380 nan 0.000 0.575 2395 Q N 0.000 119.768 119.800 -0.053 0.000 2.515 2395 Q HA 0.239 4.572 4.340 -0.012 0.000 0.214 2395 Q C 0.522 176.801 176.000 0.465 0.000 0.971 2395 Q CA 0.180 56.134 55.803 0.252 0.000 0.952 2395 Q CB -0.832 28.134 28.738 0.380 0.000 0.999 2395 Q HN 0.457 nan 8.270 nan 0.000 0.524 2396 G N 0.521 109.461 108.800 0.233 0.000 2.398 2396 G HA2 0.035 3.988 3.960 -0.012 0.000 0.246 2396 G HA3 0.035 3.988 3.960 -0.012 0.000 0.246 2396 G C -1.076 174.035 174.900 0.351 0.000 1.289 2396 G CA -0.405 44.894 45.100 0.331 0.000 0.869 2396 G HN 0.388 nan 8.290 nan 0.000 0.543 2397 H N 2.476 121.613 119.070 0.111 0.000 2.761 2397 H HA 0.200 4.749 4.556 -0.012 0.000 0.284 2397 H C -0.160 175.137 175.328 -0.052 0.000 1.105 2397 H CA -0.467 55.416 56.048 -0.277 0.000 1.352 2397 H CB 0.557 29.747 29.762 -0.954 0.000 1.423 2397 H HN 0.443 nan 8.280 nan 0.000 0.464 2398 D N 1.674 122.173 120.400 0.165 0.000 2.440 2398 D HA 0.151 4.784 4.640 -0.012 0.000 0.269 2398 D C 0.307 176.830 176.300 0.371 0.000 1.249 2398 D CA -0.137 54.038 54.000 0.291 0.000 1.055 2398 D CB 0.913 41.877 40.800 0.273 0.000 1.104 2398 D HN 0.609 nan 8.370 nan 0.000 0.561 2399 S N -1.274 114.673 115.700 0.412 0.000 2.627 2399 S HA 0.596 5.059 4.470 -0.012 0.000 0.283 2399 S C -1.505 173.369 174.600 0.457 0.000 1.127 2399 S CA -0.904 57.566 58.200 0.449 0.000 0.863 2399 S CB 1.800 65.284 63.200 0.474 0.000 1.121 2399 S HN 0.455 nan 8.310 nan 0.000 0.479 2400 Y N 1.187 121.605 120.300 0.197 0.000 2.386 2400 Y HA 0.517 5.060 4.550 -0.012 0.000 0.334 2400 Y C -1.486 174.324 175.900 -0.150 0.000 1.002 2400 Y CA -0.791 57.218 58.100 -0.150 0.000 1.068 2400 Y CB 1.758 40.004 38.460 -0.357 0.000 1.203 2400 Y HN 0.861 nan 8.280 nan 0.000 0.443 2401 D N 8.328 128.283 120.400 -0.741 0.000 2.396 2401 D HA 0.295 4.928 4.640 -0.012 0.000 0.225 2401 D C -2.135 173.390 176.300 -1.292 0.000 1.121 2401 D CA -2.406 51.062 54.000 -0.885 0.000 0.853 2401 D CB 2.004 42.689 40.800 -0.190 0.000 1.043 2401 D HN 0.371 nan 8.370 nan 0.000 0.500 2402 P HA -0.045 nan 4.420 nan 0.000 0.229 2402 P C 1.187 178.208 177.300 -0.464 0.000 1.160 2402 P CA 0.574 63.218 63.100 -0.759 0.000 0.777 2402 P CB 0.452 31.929 31.700 -0.372 0.000 0.814 2403 K N 0.471 120.620 120.400 -0.418 0.000 2.031 2403 K HA -0.031 4.282 4.320 -0.012 0.000 0.205 2403 K C 2.003 178.485 176.600 -0.197 0.000 1.049 2403 K CA 0.965 57.123 56.287 -0.214 0.000 0.939 2403 K CB 0.011 32.442 32.500 -0.115 0.000 0.717 2403 K HN -0.021 nan 8.250 nan 0.000 0.438 2404 R N 0.553 120.909 120.500 -0.240 0.000 2.240 2404 R HA 0.015 4.348 4.340 -0.012 0.000 0.203 2404 R C -0.147 175.990 176.300 -0.270 0.000 1.011 2404 R CA 0.524 56.510 56.100 -0.189 0.000 1.007 2404 R CB 0.095 30.332 30.300 -0.104 0.000 0.911 2404 R HN 0.297 nan 8.270 nan 0.000 0.468 2405 E N 0.392 120.338 120.200 -0.424 0.000 2.389 2405 E HA -0.208 4.135 4.350 -0.012 0.000 0.243 2405 E C -1.071 175.298 176.600 -0.386 0.000 1.154 2405 E CA 0.310 56.492 56.400 -0.362 0.000 0.723 2405 E CB -1.484 28.137 29.700 -0.132 0.000 1.261 2405 E HN 0.318 nan 8.360 nan 0.000 0.390 2406 L N 0.381 121.218 121.223 -0.644 0.000 2.362 2406 L HA 0.570 4.903 4.340 -0.012 0.000 0.271 2406 L C 0.007 176.389 176.870 -0.813 0.000 1.002 2406 L CA -0.955 53.506 54.840 -0.632 0.000 0.818 2406 L CB 1.026 42.672 42.059 -0.689 0.000 1.298 2406 L HN -0.059 nan 8.230 nan 0.000 0.420 2407 F N 1.941 121.713 119.950 -0.297 0.000 2.411 2407 F HA 0.385 4.905 4.527 -0.013 0.000 0.350 2407 F C -0.179 175.396 175.800 -0.375 0.000 1.114 2407 F CA -0.225 57.695 58.000 -0.134 0.000 1.135 2407 F CB 0.685 39.737 39.000 0.086 0.000 1.120 2407 F HN 0.135 nan 8.300 nan 0.000 0.495 2408 F N 4.154 124.235 119.950 0.218 0.000 2.361 2408 F HA 0.475 4.995 4.527 -0.011 0.000 0.364 2408 F C -0.030 175.864 175.800 0.156 0.000 1.120 2408 F CA -0.656 57.416 58.000 0.119 0.000 1.102 2408 F CB 0.722 39.813 39.000 0.151 0.000 1.183 2408 F HN 0.237 nan 8.300 nan 0.000 0.476 2409 M N 2.840 122.576 119.600 0.228 0.000 2.243 2409 M HA 0.446 4.919 4.480 -0.012 0.000 0.324 2409 M C 0.359 176.727 176.300 0.114 0.000 1.031 2409 M CA -0.622 54.804 55.300 0.211 0.000 0.949 2409 M CB 1.902 34.612 32.600 0.185 0.000 1.615 2409 M HN 0.695 nan 8.290 nan 0.000 0.430 2410 G N 4.485 113.336 108.800 0.086 0.000 2.338 2410 G HA2 0.612 4.565 3.960 -0.012 0.000 0.295 2410 G HA3 0.612 4.565 3.960 -0.012 0.000 0.295 2410 G C -0.671 174.125 174.900 -0.173 0.000 1.132 2410 G CA -0.300 44.784 45.100 -0.027 0.000 0.922 2410 G HN 0.666 nan 8.290 nan 0.000 0.427 2411 I N 1.994 122.511 120.570 -0.088 0.000 2.693 2411 I HA 0.331 4.494 4.170 -0.012 0.000 0.303 2411 I C -0.686 175.423 176.117 -0.014 0.000 1.025 2411 I CA -1.229 60.020 61.300 -0.085 0.000 1.086 2411 I CB 2.319 40.278 38.000 -0.069 0.000 1.268 2411 I HN 0.320 nan 8.210 nan 0.000 0.440 2412 N N 2.206 120.918 118.700 0.019 0.000 2.405 2412 N HA 0.297 5.030 4.740 -0.012 0.000 0.299 2412 N C -0.975 174.497 175.510 -0.065 0.000 1.075 2412 N CA -0.535 52.586 53.050 0.118 0.000 0.884 2412 N CB 1.258 39.914 38.487 0.281 0.000 1.194 2412 N HN 0.503 nan 8.380 nan 0.000 0.491 2413 H N 1.092 120.077 119.070 -0.141 0.000 2.340 2413 H HA 0.533 5.082 4.556 -0.012 0.000 0.233 2413 H C -1.166 174.130 175.328 -0.053 0.000 1.435 2413 H CA -0.288 55.587 56.048 -0.288 0.000 1.389 2413 H CB -0.418 29.188 29.762 -0.261 0.000 1.491 2413 H HN 0.444 nan 8.280 nan 0.000 0.518 2414 I N 2.682 123.246 120.570 -0.010 0.000 2.534 2414 I HA 0.320 4.483 4.170 -0.012 0.000 0.288 2414 I C -0.495 175.610 176.117 -0.020 0.000 1.077 2414 I CA -0.601 60.688 61.300 -0.018 0.000 1.051 2414 I CB 1.648 39.683 38.000 0.060 0.000 1.234 2414 I HN 0.402 nan 8.210 nan 0.000 0.425 2415 c N 5.756 124.227 118.600 -0.215 0.000 2.668 2415 c HA 0.881 5.444 4.570 -0.012 0.000 0.355 2415 c C -0.088 173.634 174.090 -0.614 0.000 1.277 2415 c CA -0.633 55.534 56.329 -0.271 0.000 1.787 2415 c CB 1.862 44.304 42.510 -0.114 0.000 2.233 2415 c HN 0.889 nan 8.230 nan 0.000 0.495 2416 M N 0.350 119.729 119.600 -0.369 0.000 2.578 2416 M HA 0.613 5.086 4.480 -0.012 0.000 0.276 2416 M C -2.359 174.030 176.300 0.147 0.000 1.245 2416 M CA -0.276 54.893 55.300 -0.218 0.000 0.871 2416 M CB 2.035 34.661 32.600 0.044 0.000 1.722 2416 M HN 0.421 nan 8.290 nan 0.000 0.473 2417 D N 1.543 122.104 120.400 0.267 0.000 2.181 2417 D HA 0.586 5.219 4.640 -0.012 0.000 0.248 2417 D C -1.661 174.856 176.300 0.361 0.000 1.020 2417 D CA 0.317 54.503 54.000 0.310 0.000 0.891 2417 D CB 2.123 43.097 40.800 0.290 0.000 1.187 2417 D HN 0.669 nan 8.370 nan 0.000 0.443 2418 W N 1.785 123.156 121.300 0.117 0.000 3.274 2418 W HA 0.370 5.023 4.660 -0.012 0.000 0.327 2418 W C -1.727 174.839 176.519 0.080 0.000 1.172 2418 W CA -0.668 56.749 57.345 0.120 0.000 1.217 2418 W CB 1.351 30.888 29.460 0.128 0.000 1.376 2418 W HN 0.418 nan 8.180 nan 0.000 0.507 2419 E N 7.145 127.497 120.200 0.254 0.000 2.263 2419 E HA 0.493 4.836 4.350 -0.012 0.000 0.268 2419 E C -2.468 174.211 176.600 0.133 0.000 0.884 2419 E CA -2.045 54.502 56.400 0.245 0.000 0.766 2419 E CB 3.108 32.895 29.700 0.144 0.000 1.196 2419 E HN -0.028 nan 8.360 nan 0.000 0.416 2420 P HA 0.339 nan 4.420 nan 0.000 0.278 2420 P C -1.073 176.326 177.300 0.165 0.000 1.266 2420 P CA -0.344 62.818 63.100 0.104 0.000 0.807 2420 P CB 0.421 32.230 31.700 0.181 0.000 1.094 2421 F N -2.261 117.690 119.950 0.002 0.000 2.631 2421 F HA 0.574 5.093 4.527 -0.012 0.000 0.308 2421 F C -0.730 175.075 175.800 0.009 0.000 1.097 2421 F CA -1.578 56.424 58.000 0.003 0.000 0.952 2421 F CB 0.787 39.775 39.000 -0.021 0.000 1.307 2421 F HN -0.048 nan 8.300 nan 0.000 0.450 2422 M N 4.454 124.184 119.600 0.216 0.000 2.238 2422 M HA 0.582 5.055 4.480 -0.012 0.000 0.347 2422 M C -0.418 176.005 176.300 0.205 0.000 1.173 2422 M CA -0.320 55.063 55.300 0.138 0.000 1.147 2422 M CB 0.830 33.508 32.600 0.130 0.000 1.547 2422 M HN 0.876 nan 8.290 nan 0.000 0.455 2423 L N 2.182 123.495 121.223 0.149 0.000 2.582 2423 L HA 0.801 5.134 4.340 -0.012 0.000 0.257 2423 L C -2.869 174.150 176.870 0.248 0.000 0.974 2423 L CA -1.569 53.393 54.840 0.203 0.000 0.851 2423 L CB 2.042 44.224 42.059 0.204 0.000 1.424 2423 L HN 0.421 nan 8.230 nan 0.000 0.412 2424 P HA 0.240 nan 4.420 nan 0.000 0.279 2424 P C -1.678 175.741 177.300 0.198 0.000 1.252 2424 P CA -0.123 63.091 63.100 0.190 0.000 0.811 2424 P CB 0.847 32.602 31.700 0.091 0.000 1.035 2425 Y N 0.708 120.940 120.300 -0.114 0.000 2.365 2425 Y HA 0.466 5.009 4.550 -0.012 0.000 0.340 2425 Y C -0.005 175.750 175.900 -0.241 0.000 1.016 2425 Y CA -0.158 57.672 58.100 -0.451 0.000 1.196 2425 Y CB 0.130 38.089 38.460 -0.836 0.000 1.167 2425 Y HN 0.493 nan 8.280 nan 0.000 0.509 2426 K N 4.904 124.770 120.400 -0.889 0.000 2.535 2426 K HA 0.805 5.118 4.320 -0.012 0.000 0.253 2426 K C -0.564 175.487 176.600 -0.915 0.000 0.953 2426 K CA -0.348 55.502 56.287 -0.729 0.000 0.863 2426 K CB 0.711 33.014 32.500 -0.328 0.000 1.111 2426 K HN 1.124 nan 8.250 nan 0.000 0.431 2427 A N 0.775 123.095 122.820 -0.834 0.000 2.545 2427 A HA 0.512 4.825 4.320 -0.012 0.000 0.253 2427 A C 1.637 179.050 177.584 -0.285 0.000 1.074 2427 A CA 1.339 53.088 52.037 -0.479 0.000 0.760 2427 A CB -0.843 18.060 19.000 -0.162 0.000 1.005 2427 A HN 2.494 nan 8.150 nan 0.000 0.506 2428 G N 1.337 109.998 108.800 -0.231 0.000 2.213 2428 G HA2 -0.161 3.792 3.960 -0.012 0.000 0.226 2428 G HA3 -0.161 3.792 3.960 -0.012 0.000 0.226 2428 G C 0.126 174.904 174.900 -0.202 0.000 0.992 2428 G CA 0.254 45.245 45.100 -0.181 0.000 0.632 2428 G HN 0.850 nan 8.290 nan 0.000 0.511 2429 Q N -0.344 119.322 119.800 -0.224 0.000 2.248 2429 Q HA 0.674 5.007 4.340 -0.012 0.000 0.263 2429 Q C -0.016 175.902 176.000 -0.136 0.000 1.007 2429 Q CA -0.901 54.816 55.803 -0.143 0.000 0.877 2429 Q CB 1.083 29.764 28.738 -0.095 0.000 1.315 2429 Q HN 0.187 nan 8.270 nan 0.000 0.454 2430 F N 1.010 120.940 119.950 -0.035 0.000 2.553 2430 F HA -0.015 4.504 4.527 -0.013 0.000 0.356 2430 F C 0.699 176.561 175.800 0.103 0.000 1.142 2430 F CA 0.543 58.539 58.000 -0.006 0.000 1.322 2430 F CB 0.270 39.226 39.000 -0.073 0.000 1.126 2430 F HN 0.406 nan 8.300 nan 0.000 0.599 2431 F N 3.677 123.677 119.950 0.083 0.000 2.593 2431 F HA 0.394 4.913 4.527 -0.012 0.000 0.336 2431 F C -0.403 175.370 175.800 -0.045 0.000 1.491 2431 F CA -0.549 57.481 58.000 0.050 0.000 1.114 2431 F CB -0.336 38.754 39.000 0.150 0.000 1.468 2431 F HN 0.175 nan 8.300 nan 0.000 0.579 2432 V N 0.907 120.656 119.914 -0.276 0.000 2.543 2432 V HA 0.368 4.481 4.120 -0.012 0.000 0.232 2432 V C 1.715 177.402 176.094 -0.679 0.000 1.087 2432 V CA 0.983 62.905 62.300 -0.630 0.000 1.113 2432 V CB -0.836 30.500 31.823 -0.811 0.000 0.779 2432 V HN 0.679 nan 8.190 nan 0.000 0.495 2433 G N 0.284 108.584 108.800 -0.834 0.000 2.171 2433 G HA2 0.151 4.104 3.960 -0.012 0.000 0.238 2433 G HA3 0.151 4.104 3.960 -0.012 0.000 0.238 2433 G C -0.069 174.175 174.900 -1.094 0.000 1.039 2433 G CA 0.372 44.652 45.100 -1.366 0.000 0.759 2433 G HN 1.384 nan 8.290 nan 0.000 0.501 2434 A N -1.112 121.276 122.820 -0.720 0.000 2.594 2434 A HA 0.914 5.227 4.320 -0.012 0.000 0.295 2434 A C -0.271 177.195 177.584 -0.197 0.000 1.071 2434 A CA 0.235 52.001 52.037 -0.452 0.000 0.685 2434 A CB 1.517 20.002 19.000 -0.858 0.000 1.285 2434 A HN 0.911 nan 8.150 nan 0.000 0.405 2435 T N 1.720 116.207 114.554 -0.113 0.000 2.807 2435 T HA 0.637 4.980 4.350 -0.012 0.000 0.279 2435 T C -0.860 173.808 174.700 -0.054 0.000 0.993 2435 T CA -0.161 61.917 62.100 -0.037 0.000 0.970 2435 T CB 0.749 69.634 68.868 0.029 0.000 0.950 2435 T HN 0.413 nan 8.240 nan 0.000 0.441 2436 L N 3.171 124.407 121.223 0.021 0.000 2.341 2436 L HA 0.654 4.987 4.340 -0.012 0.000 0.267 2436 L C -0.196 176.760 176.870 0.144 0.000 1.009 2436 L CA -0.739 54.170 54.840 0.115 0.000 0.819 2436 L CB 2.026 44.196 42.059 0.185 0.000 1.323 2436 L HN 0.520 nan 8.230 nan 0.000 0.425 2437 N N 1.796 120.606 118.700 0.184 0.000 2.399 2437 N HA 0.722 5.455 4.740 -0.012 0.000 0.284 2437 N C -1.518 174.094 175.510 0.169 0.000 1.025 2437 N CA -0.313 52.865 53.050 0.213 0.000 0.885 2437 N CB 1.276 39.921 38.487 0.263 0.000 1.339 2437 N HN 0.487 nan 8.380 nan 0.000 0.487 2438 M N 3.001 122.673 119.600 0.120 0.000 2.530 2438 M HA 0.495 4.968 4.480 -0.012 0.000 0.307 2438 M C -1.393 174.911 176.300 0.006 0.000 1.161 2438 M CA -0.828 54.394 55.300 -0.130 0.000 0.903 2438 M CB 2.065 34.630 32.600 -0.058 0.000 1.711 2438 M HN 0.623 nan 8.290 nan 0.000 0.451 2439 Y N -1.024 119.299 120.300 0.038 0.000 2.677 2439 Y HA 0.644 5.187 4.550 -0.012 0.000 0.334 2439 Y C -3.182 172.611 175.900 -0.179 0.000 1.196 2439 Y CA -2.690 55.347 58.100 -0.105 0.000 1.059 2439 Y CB -0.161 38.194 38.460 -0.174 0.000 1.315 2439 Y HN 0.373 nan 8.280 nan 0.000 0.455 2440 P HA 0.154 nan 4.420 nan 0.000 0.267 2440 P C 0.340 177.626 177.300 -0.024 0.000 1.200 2440 P CA 0.645 63.703 63.100 -0.070 0.000 0.772 2440 P CB 0.680 32.317 31.700 -0.105 0.000 0.855 2441 G N 3.182 111.848 108.800 -0.223 0.000 2.653 2441 G HA2 0.155 4.109 3.960 -0.012 0.000 0.265 2441 G HA3 0.155 4.109 3.960 -0.012 0.000 0.265 2441 G C -1.606 173.276 174.900 -0.029 0.000 1.237 2441 G CA -1.026 43.832 45.100 -0.403 0.000 0.946 2441 G HN 0.310 nan 8.290 nan 0.000 0.522 2442 P HA -0.038 nan 4.420 nan 0.000 0.219 2442 P C 1.404 178.807 177.300 0.172 0.000 1.146 2442 P CA 1.249 64.426 63.100 0.128 0.000 0.808 2442 P CB 0.193 31.952 31.700 0.098 0.000 0.779 2443 K N -1.197 119.402 120.400 0.332 0.000 2.426 2443 K HA 0.161 4.474 4.320 -0.012 0.000 0.193 2443 K C 1.413 178.008 176.600 -0.008 0.000 1.028 2443 K CA 0.147 56.453 56.287 0.031 0.000 1.047 2443 K CB 0.015 32.368 32.500 -0.244 0.000 0.821 2443 K HN 0.159 nan 8.250 nan 0.000 0.513 2444 G N 0.612 109.472 108.800 0.099 0.000 2.702 2444 G HA2 0.043 3.996 3.960 -0.012 0.000 0.254 2444 G HA3 0.043 3.996 3.960 -0.012 0.000 0.254 2444 G C -1.134 173.761 174.900 -0.010 0.000 1.380 2444 G CA -0.307 44.811 45.100 0.031 0.000 1.042 2444 G HN -0.009 nan 8.290 nan 0.000 0.557 2445 D N -0.893 119.481 120.400 -0.043 0.000 2.479 2445 D HA 0.197 4.830 4.640 -0.012 0.000 0.247 2445 D C 1.369 177.607 176.300 -0.103 0.000 1.119 2445 D CA -0.566 53.401 54.000 -0.055 0.000 0.922 2445 D CB 0.978 41.753 40.800 -0.042 0.000 1.014 2445 D HN 0.387 nan 8.370 nan 0.000 0.510 2446 R N 2.312 122.736 120.500 -0.126 0.000 2.091 2446 R HA -0.151 4.182 4.340 -0.012 0.000 0.238 2446 R C 1.795 177.943 176.300 -0.253 0.000 1.136 2446 R CA 1.438 57.390 56.100 -0.247 0.000 0.959 2446 R CB 0.148 30.325 30.300 -0.205 0.000 0.856 2446 R HN 0.438 nan 8.270 nan 0.000 0.437 2447 Q N -0.136 119.606 119.800 -0.097 0.000 2.124 2447 Q HA -0.161 4.172 4.340 -0.012 0.000 0.202 2447 Q C 1.312 177.362 176.000 0.083 0.000 0.977 2447 Q CA 1.603 57.405 55.803 -0.001 0.000 0.850 2447 Q CB -0.012 28.729 28.738 0.005 0.000 0.901 2447 Q HN 0.470 nan 8.270 nan 0.000 0.429 2448 N N -1.456 117.278 118.700 0.058 0.000 2.280 2448 N HA -0.056 4.677 4.740 -0.012 0.000 0.192 2448 N C -0.814 174.821 175.510 0.210 0.000 1.109 2448 N CA -0.078 53.047 53.050 0.124 0.000 0.855 2448 N CB 0.446 38.974 38.487 0.068 0.000 0.974 2448 N HN 0.164 nan 8.380 nan 0.000 0.482 2449 Y N 0.598 120.911 120.300 0.022 0.000 3.389 2449 Y HA -0.256 4.287 4.550 -0.012 0.000 0.213 2449 Y C -0.499 175.399 175.900 -0.004 0.000 1.272 2449 Y CA 0.752 58.864 58.100 0.021 0.000 1.444 2449 Y CB -1.745 36.743 38.460 0.047 0.000 1.445 2449 Y HN 0.243 nan 8.280 nan 0.000 0.583 2450 E N -0.626 119.565 120.200 -0.014 0.000 2.416 2450 E HA 0.635 4.978 4.350 -0.012 0.000 0.273 2450 E C 0.585 177.101 176.600 -0.141 0.000 0.935 2450 E CA -0.673 55.641 56.400 -0.143 0.000 0.784 2450 E CB 2.200 31.800 29.700 -0.167 0.000 1.301 2450 E HN 0.286 nan 8.360 nan 0.000 0.454 2451 G N 1.221 109.909 108.800 -0.186 0.000 2.325 2451 G HA2 -0.207 3.746 3.960 -0.012 0.000 0.248 2451 G HA3 -0.207 3.746 3.960 -0.012 0.000 0.248 2451 G C 0.086 174.969 174.900 -0.028 0.000 1.108 2451 G CA -0.058 44.979 45.100 -0.106 0.000 0.881 2451 G HN 0.350 nan 8.290 nan 0.000 0.494 2452 L N -0.084 121.128 121.223 -0.019 0.000 2.667 2452 L HA 0.537 4.870 4.340 -0.012 0.000 0.232 2452 L C 1.489 178.446 176.870 0.146 0.000 1.138 2452 L CA 0.760 55.640 54.840 0.066 0.000 0.921 2452 L CB 0.628 42.704 42.059 0.028 0.000 1.180 2452 L HN 0.551 nan 8.230 nan 0.000 0.487 2453 G N -0.934 107.926 108.800 0.100 0.000 2.642 2453 G HA2 0.747 4.700 3.960 -0.012 0.000 0.293 2453 G HA3 0.747 4.700 3.960 -0.012 0.000 0.293 2453 G C -1.462 173.437 174.900 -0.003 0.000 1.341 2453 G CA -0.287 44.874 45.100 0.101 0.000 0.916 2453 G HN -0.009 nan 8.290 nan 0.000 0.474 2454 Q N -0.849 118.937 119.800 -0.024 0.000 2.456 2454 Q HA 0.593 4.926 4.340 -0.012 0.000 0.284 2454 Q C -1.437 174.538 176.000 -0.041 0.000 1.061 2454 Q CA -0.753 55.012 55.803 -0.064 0.000 0.799 2454 Q CB 3.453 32.102 28.738 -0.148 0.000 1.445 2454 Q HN 0.569 nan 8.270 nan 0.000 0.411 2455 I N 0.687 121.247 120.570 -0.017 0.000 2.498 2455 I HA 0.524 4.687 4.170 -0.012 0.000 0.290 2455 I C -1.687 174.460 176.117 0.050 0.000 1.032 2455 I CA -0.431 60.859 61.300 -0.017 0.000 1.073 2455 I CB 1.179 39.086 38.000 -0.155 0.000 1.251 2455 I HN 0.507 nan 8.210 nan 0.000 0.426 2456 K N 5.782 126.140 120.400 -0.069 0.000 2.477 2456 K HA 0.781 5.094 4.320 -0.012 0.000 0.255 2456 K C -1.424 174.950 176.600 -0.376 0.000 0.952 2456 K CA -0.953 55.213 56.287 -0.202 0.000 0.826 2456 K CB 2.292 34.766 32.500 -0.044 0.000 1.331 2456 K HN 0.571 nan 8.250 nan 0.000 0.437 2457 A N 1.792 124.207 122.820 -0.674 0.000 2.303 2457 A HA 0.558 4.871 4.320 -0.012 0.000 0.320 2457 A C -1.807 175.615 177.584 -0.271 0.000 1.192 2457 A CA -0.432 51.215 52.037 -0.651 0.000 0.821 2457 A CB 0.420 18.754 19.000 -1.110 0.000 1.188 2457 A HN 0.680 nan 8.150 nan 0.000 0.492 2458 Y N 3.133 123.214 120.300 -0.366 0.000 2.457 2458 Y HA 0.467 5.010 4.550 -0.011 0.000 0.343 2458 Y C -0.748 175.028 175.900 -0.207 0.000 0.994 2458 Y CA -1.184 56.686 58.100 -0.383 0.000 1.031 2458 Y CB 1.663 39.895 38.460 -0.380 0.000 1.246 2458 Y HN 0.673 nan 8.280 nan 0.000 0.449 2459 N N 4.005 122.254 118.700 -0.752 0.000 2.419 2459 N HA 0.364 5.097 4.740 -0.012 0.000 0.277 2459 N C -0.013 174.883 175.510 -1.024 0.000 1.006 2459 N CA 0.509 53.184 53.050 -0.624 0.000 0.923 2459 N CB 2.095 40.359 38.487 -0.373 0.000 1.140 2459 N HN 0.927 nan 8.380 nan 0.000 0.488 2460 A N 4.495 126.954 122.820 -0.602 0.000 2.119 2460 A HA 0.032 4.345 4.320 -0.012 0.000 0.216 2460 A C 1.734 179.145 177.584 -0.288 0.000 1.152 2460 A CA 0.559 52.288 52.037 -0.514 0.000 0.708 2460 A CB -0.081 18.821 19.000 -0.163 0.000 0.805 2460 A HN 0.696 nan 8.150 nan 0.000 0.460 2461 I N -0.037 120.395 120.570 -0.230 0.000 2.556 2461 I HA -0.089 4.074 4.170 -0.012 0.000 0.251 2461 I C 2.655 178.679 176.117 -0.155 0.000 1.105 2461 I CA 2.120 63.329 61.300 -0.151 0.000 1.436 2461 I CB -1.700 36.235 38.000 -0.108 0.000 1.139 2461 I HN 0.470 nan 8.210 nan 0.000 0.438 2462 T N -1.564 112.878 114.554 -0.186 0.000 3.043 2462 T HA 0.151 4.494 4.350 -0.012 0.000 0.263 2462 T C 1.702 176.306 174.700 -0.159 0.000 1.094 2462 T CA 0.942 62.953 62.100 -0.148 0.000 1.127 2462 T CB -0.025 68.763 68.868 -0.133 0.000 0.905 2462 T HN 0.486 nan 8.240 nan 0.000 0.490 2463 G N 1.429 110.064 108.800 -0.274 0.000 2.179 2463 G HA2 -0.203 3.750 3.960 -0.012 0.000 0.260 2463 G HA3 -0.203 3.750 3.960 -0.012 0.000 0.260 2463 G C -0.349 174.446 174.900 -0.176 0.000 0.977 2463 G CA 0.118 45.106 45.100 -0.187 0.000 0.641 2463 G HN 0.610 nan 8.290 nan 0.000 0.533 2464 D N -0.112 120.156 120.400 -0.220 0.000 2.302 2464 D HA 0.473 5.106 4.640 -0.012 0.000 0.248 2464 D C -0.017 176.168 176.300 -0.191 0.000 1.094 2464 D CA 0.057 53.993 54.000 -0.107 0.000 0.897 2464 D CB 0.500 41.260 40.800 -0.066 0.000 1.200 2464 D HN 0.233 nan 8.370 nan 0.000 0.429 2465 Y N 1.272 121.593 120.300 0.035 0.000 2.367 2465 Y HA 0.091 4.634 4.550 -0.012 0.000 0.342 2465 Y C 1.500 177.388 175.900 -0.021 0.000 0.979 2465 Y CA -0.501 57.605 58.100 0.011 0.000 1.161 2465 Y CB 1.451 39.921 38.460 0.016 0.000 1.155 2465 Y HN 0.228 nan 8.280 nan 0.000 0.503 2466 K N 4.333 124.745 120.400 0.021 0.000 2.148 2466 K HA -0.032 4.281 4.320 -0.012 0.000 0.204 2466 K C -0.526 176.218 176.600 0.240 0.000 1.050 2466 K CA 1.082 57.418 56.287 0.081 0.000 0.942 2466 K CB 0.252 32.784 32.500 0.053 0.000 0.724 2466 K HN 0.714 nan 8.250 nan 0.000 0.446 2467 W N -1.055 120.335 121.300 0.150 0.000 3.146 2467 W HA 0.493 5.145 4.660 -0.013 0.000 0.319 2467 W C -1.691 174.895 176.519 0.112 0.000 1.258 2467 W CA -0.725 56.688 57.345 0.114 0.000 1.189 2467 W CB 0.651 30.171 29.460 0.100 0.000 1.412 2467 W HN -0.199 nan 8.180 nan 0.000 0.567 2468 E N 1.968 122.416 120.200 0.413 0.000 2.290 2468 E HA 0.391 4.734 4.350 -0.012 0.000 0.274 2468 E C -0.958 175.778 176.600 0.226 0.000 0.889 2468 E CA -0.994 55.539 56.400 0.221 0.000 0.760 2468 E CB 2.947 32.654 29.700 0.011 0.000 1.206 2468 E HN 0.131 nan 8.360 nan 0.000 0.419 2469 K N 2.744 123.266 120.400 0.203 0.000 2.443 2469 K HA 0.453 4.766 4.320 -0.012 0.000 0.252 2469 K C -0.522 176.096 176.600 0.031 0.000 0.933 2469 K CA -0.907 55.449 56.287 0.114 0.000 0.792 2469 K CB 1.943 34.530 32.500 0.145 0.000 1.185 2469 K HN 0.452 nan 8.250 nan 0.000 0.425 2470 M N 1.633 121.220 119.600 -0.021 0.000 2.242 2470 M HA 0.238 4.711 4.480 -0.012 0.000 0.344 2470 M C 0.300 176.588 176.300 -0.021 0.000 1.140 2470 M CA 0.299 55.565 55.300 -0.057 0.000 1.160 2470 M CB 0.335 32.880 32.600 -0.091 0.000 1.491 2470 M HN 0.357 nan 8.290 nan 0.000 0.459 2471 E N 0.820 121.010 120.200 -0.016 0.000 2.288 2471 E HA 0.303 4.646 4.350 -0.012 0.000 0.268 2471 E C 0.379 176.948 176.600 -0.051 0.000 0.885 2471 E CA -0.446 55.965 56.400 0.017 0.000 0.767 2471 E CB 2.473 32.239 29.700 0.111 0.000 1.220 2471 E HN 0.579 nan 8.360 nan 0.000 0.427 2472 R N 1.523 121.944 120.500 -0.131 0.000 2.094 2472 R HA -0.099 4.234 4.340 -0.012 0.000 0.239 2472 R C 0.008 176.022 176.300 -0.476 0.000 1.137 2472 R CA 1.632 57.501 56.100 -0.386 0.000 0.943 2472 R CB 0.136 30.075 30.300 -0.602 0.000 0.850 2472 R HN 0.231 nan 8.270 nan 0.000 0.433 2473 F N -0.892 119.108 119.950 0.084 0.000 2.598 2473 F HA 0.507 5.030 4.527 -0.006 0.000 0.327 2473 F C 0.178 176.123 175.800 0.242 0.000 1.057 2473 F CA -1.144 56.968 58.000 0.187 0.000 0.957 2473 F CB 1.068 40.217 39.000 0.249 0.000 1.278 2473 F HN 0.036 nan 8.300 nan 0.000 0.484 2474 A N 0.735 123.895 122.820 0.566 0.000 2.587 2474 A HA 0.293 4.606 4.320 -0.012 0.000 0.235 2474 A C -0.325 177.532 177.584 0.455 0.000 1.044 2474 A CA -0.243 52.087 52.037 0.488 0.000 0.754 2474 A CB -0.393 19.011 19.000 0.673 0.000 0.968 2474 A HN 0.536 nan 8.150 nan 0.000 0.509 2475 V N 5.206 125.322 119.914 0.336 0.000 2.313 2475 V HA -0.006 4.107 4.120 -0.012 0.000 0.252 2475 V C 0.929 177.222 176.094 0.332 0.000 1.112 2475 V CA -0.117 62.374 62.300 0.318 0.000 0.984 2475 V CB -0.339 31.588 31.823 0.174 0.000 1.157 2475 V HN 1.071 nan 8.190 nan 0.000 0.493 2476 W N 3.608 125.029 121.300 0.202 0.000 2.812 2476 W HA 0.137 4.790 4.660 -0.011 0.000 0.263 2476 W C 1.512 178.190 176.519 0.265 0.000 1.284 2476 W CA 0.707 58.173 57.345 0.201 0.000 1.430 2476 W CB 0.618 30.191 29.460 0.189 0.000 1.088 2476 W HN 0.704 nan 8.180 nan 0.000 0.623 2477 G N 0.396 109.462 108.800 0.443 0.000 3.126 2477 G HA2 0.371 4.324 3.960 -0.012 0.000 0.224 2477 G HA3 0.371 4.324 3.960 -0.012 0.000 0.224 2477 G C 0.544 175.702 174.900 0.430 0.000 1.142 2477 G CA 0.473 45.842 45.100 0.448 0.000 0.759 2477 G HN 0.358 nan 8.290 nan 0.000 0.550 2478 G N -0.687 108.321 108.800 0.348 0.000 2.627 2478 G HA2 0.328 4.281 3.960 -0.012 0.000 0.214 2478 G HA3 0.328 4.281 3.960 -0.012 0.000 0.214 2478 G C -0.130 175.001 174.900 0.386 0.000 1.331 2478 G CA 0.134 45.443 45.100 0.349 0.000 0.891 2478 G HN 1.527 nan 8.290 nan 0.000 0.539 2479 T N -2.921 111.864 114.554 0.384 0.000 2.864 2479 T HA 0.775 5.118 4.350 -0.012 0.000 0.299 2479 T C -0.388 174.552 174.700 0.401 0.000 1.166 2479 T CA 0.222 62.568 62.100 0.409 0.000 1.007 2479 T CB 2.162 71.255 68.868 0.375 0.000 1.219 2479 T HN 1.949 nan 8.240 nan 0.000 0.506 2480 M N 1.670 121.515 119.600 0.408 0.000 2.386 2480 M HA 0.721 5.194 4.480 -0.012 0.000 0.293 2480 M C -1.871 174.650 176.300 0.368 0.000 1.120 2480 M CA -0.731 54.803 55.300 0.391 0.000 0.909 2480 M CB 1.847 34.660 32.600 0.355 0.000 1.661 2480 M HN 1.136 nan 8.290 nan 0.000 0.452 2481 A N 2.419 125.448 122.820 0.350 0.000 2.380 2481 A HA 0.938 5.251 4.320 -0.012 0.000 0.315 2481 A C -0.552 177.093 177.584 0.102 0.000 1.101 2481 A CA -0.382 51.827 52.037 0.286 0.000 0.771 2481 A CB 1.719 20.996 19.000 0.462 0.000 1.287 2481 A HN 0.870 nan 8.150 nan 0.000 0.436 2482 T N -2.388 112.177 114.554 0.018 0.000 2.883 2482 T HA 0.618 4.961 4.350 -0.012 0.000 0.296 2482 T C 0.732 175.377 174.700 -0.092 0.000 1.117 2482 T CA 0.135 62.079 62.100 -0.261 0.000 1.006 2482 T CB 1.441 70.260 68.868 -0.082 0.000 1.191 2482 T HN 1.590 nan 8.240 nan 0.000 0.508 2483 A N 0.229 122.958 122.820 -0.153 0.000 2.216 2483 A HA 0.315 4.628 4.320 -0.012 0.000 0.214 2483 A C 2.030 179.644 177.584 0.049 0.000 1.160 2483 A CA 1.068 53.157 52.037 0.086 0.000 0.725 2483 A CB -1.198 17.849 19.000 0.078 0.000 0.784 2483 A HN 1.208 nan 8.150 nan 0.000 0.472 2484 G N -0.714 108.091 108.800 0.008 0.000 3.061 2484 G HA2 0.249 4.202 3.960 -0.012 0.000 0.208 2484 G HA3 0.249 4.202 3.960 -0.012 0.000 0.208 2484 G C 0.021 174.916 174.900 -0.009 0.000 1.175 2484 G CA 0.550 45.648 45.100 -0.003 0.000 0.812 2484 G HN 0.464 nan 8.290 nan 0.000 0.523 2485 D N -1.140 119.273 120.400 0.021 0.000 2.947 2485 D HA -0.144 4.489 4.640 -0.012 0.000 0.224 2485 D C 0.156 176.424 176.300 -0.054 0.000 1.132 2485 D CA 0.713 54.721 54.000 0.013 0.000 0.801 2485 D CB -1.640 39.163 40.800 0.007 0.000 1.097 2485 D HN 0.357 nan 8.370 nan 0.000 0.431 2486 L N -0.291 120.880 121.223 -0.087 0.000 2.362 2486 L HA 0.645 4.978 4.340 -0.012 0.000 0.271 2486 L C 0.167 176.904 176.870 -0.221 0.000 1.002 2486 L CA -1.125 53.584 54.840 -0.220 0.000 0.818 2486 L CB 2.507 44.359 42.059 -0.345 0.000 1.298 2486 L HN -0.271 nan 8.230 nan 0.000 0.420 2487 V N 2.289 122.025 119.914 -0.298 0.000 2.409 2487 V HA 0.441 4.554 4.120 -0.012 0.000 0.291 2487 V C -0.581 175.471 176.094 -0.071 0.000 1.020 2487 V CA -0.408 61.777 62.300 -0.191 0.000 0.848 2487 V CB 1.387 33.008 31.823 -0.337 0.000 0.990 2487 V HN 0.383 nan 8.190 nan 0.000 0.430 2488 F N 5.084 125.128 119.950 0.157 0.000 2.425 2488 F HA 0.803 5.323 4.527 -0.012 0.000 0.331 2488 F C -0.122 175.891 175.800 0.356 0.000 1.085 2488 F CA -0.453 57.664 58.000 0.195 0.000 1.028 2488 F CB 1.672 40.730 39.000 0.098 0.000 1.177 2488 F HN 0.620 nan 8.300 nan 0.000 0.487 2489 Y N -0.398 120.111 120.300 0.349 0.000 2.565 2489 Y HA 0.730 5.273 4.550 -0.011 0.000 0.330 2489 Y C -0.685 175.385 175.900 0.284 0.000 1.150 2489 Y CA -1.806 56.475 58.100 0.301 0.000 1.055 2489 Y CB 0.737 39.358 38.460 0.270 0.000 1.337 2489 Y HN 0.742 nan 8.280 nan 0.000 0.457 2490 G N 0.739 109.737 108.800 0.330 0.000 2.437 2490 G HA2 0.569 4.522 3.960 -0.012 0.000 0.319 2490 G HA3 0.569 4.522 3.960 -0.012 0.000 0.319 2490 G C -0.808 174.295 174.900 0.338 0.000 1.158 2490 G CA -0.389 44.865 45.100 0.255 0.000 0.899 2490 G HN 1.040 nan 8.290 nan 0.000 0.502 2491 T N -0.896 113.829 114.554 0.287 0.000 2.924 2491 T HA 0.422 4.765 4.350 -0.012 0.000 0.291 2491 T C 1.311 176.176 174.700 0.275 0.000 1.045 2491 T CA -0.865 61.437 62.100 0.336 0.000 1.015 2491 T CB 1.581 70.662 68.868 0.355 0.000 1.103 2491 T HN 0.185 nan 8.240 nan 0.000 0.496 2492 L N 0.722 122.109 121.223 0.273 0.000 2.201 2492 L HA 0.015 4.348 4.340 -0.012 0.000 0.212 2492 L C 1.901 178.827 176.870 0.093 0.000 1.105 2492 L CA 1.190 56.109 54.840 0.132 0.000 0.775 2492 L CB -0.532 41.536 42.059 0.014 0.000 0.913 2492 L HN 0.782 nan 8.230 nan 0.000 0.440 2493 D N -0.275 120.269 120.400 0.239 0.000 2.349 2493 D HA 0.023 4.656 4.640 -0.012 0.000 0.224 2493 D C 1.263 177.563 176.300 0.001 0.000 1.029 2493 D CA 0.790 54.917 54.000 0.211 0.000 0.879 2493 D CB 0.020 41.014 40.800 0.322 0.000 0.906 2493 D HN 0.237 nan 8.370 nan 0.000 0.528 2494 G N -0.403 108.379 108.800 -0.031 0.000 2.288 2494 G HA2 -0.185 3.768 3.960 -0.012 0.000 0.205 2494 G HA3 -0.185 3.768 3.960 -0.012 0.000 0.205 2494 G C -0.742 173.917 174.900 -0.402 0.000 1.071 2494 G CA -0.558 44.432 45.100 -0.185 0.000 0.788 2494 G HN 0.330 nan 8.290 nan 0.000 0.491 2495 Y N -1.589 118.740 120.300 0.048 0.000 2.536 2495 Y HA 0.716 5.266 4.550 -0.002 0.000 0.347 2495 Y C 0.218 176.121 175.900 0.006 0.000 1.000 2495 Y CA -1.381 56.711 58.100 -0.013 0.000 1.051 2495 Y CB 1.912 40.312 38.460 -0.101 0.000 1.259 2495 Y HN 0.228 nan 8.280 nan 0.000 0.468 2496 L N 3.413 124.731 121.223 0.159 0.000 2.292 2496 L HA 0.491 4.824 4.340 -0.012 0.000 0.284 2496 L C -0.975 175.849 176.870 -0.078 0.000 1.065 2496 L CA -0.387 54.498 54.840 0.075 0.000 0.806 2496 L CB 0.382 42.497 42.059 0.094 0.000 1.175 2496 L HN 0.575 nan 8.230 nan 0.000 0.431 2497 K N 3.969 124.281 120.400 -0.146 0.000 2.385 2497 K HA 0.890 5.203 4.320 -0.012 0.000 0.248 2497 K C -1.390 175.177 176.600 -0.055 0.000 0.955 2497 K CA -0.977 55.166 56.287 -0.241 0.000 0.816 2497 K CB 2.108 34.239 32.500 -0.615 0.000 1.250 2497 K HN 0.652 nan 8.250 nan 0.000 0.434 2498 A N 2.354 125.184 122.820 0.016 0.000 2.374 2498 A HA 0.602 4.915 4.320 -0.012 0.000 0.305 2498 A C -0.939 176.569 177.584 -0.127 0.000 1.053 2498 A CA -0.774 51.139 52.037 -0.207 0.000 0.726 2498 A CB 1.018 19.743 19.000 -0.459 0.000 1.229 2498 A HN 0.706 nan 8.150 nan 0.000 0.431 2499 R N 1.244 121.666 120.500 -0.130 0.000 2.778 2499 R HA 0.339 4.672 4.340 -0.012 0.000 0.277 2499 R C -0.998 175.163 176.300 -0.231 0.000 0.977 2499 R CA -0.912 55.091 56.100 -0.161 0.000 0.950 2499 R CB 1.729 31.940 30.300 -0.149 0.000 1.165 2499 R HN 0.845 nan 8.270 nan 0.000 0.474 2500 D N 0.740 120.985 120.400 -0.259 0.000 2.450 2500 D HA -0.027 4.606 4.640 -0.012 0.000 0.247 2500 D C 0.196 176.396 176.300 -0.167 0.000 1.162 2500 D CA 0.530 54.405 54.000 -0.208 0.000 0.879 2500 D CB 1.115 41.797 40.800 -0.195 0.000 1.163 2500 D HN 0.410 nan 8.370 nan 0.000 0.472 2501 S N 3.032 118.715 115.700 -0.029 0.000 2.419 2501 S HA -0.129 4.334 4.470 -0.012 0.000 0.233 2501 S C 1.109 175.983 174.600 0.457 0.000 1.016 2501 S CA 0.673 58.985 58.200 0.186 0.000 0.974 2501 S CB 0.186 63.483 63.200 0.161 0.000 0.786 2501 S HN 0.579 nan 8.310 nan 0.000 0.492 2502 D N 0.533 121.064 120.400 0.219 0.000 2.301 2502 D HA 0.029 4.662 4.640 -0.012 0.000 0.206 2502 D C 1.964 178.378 176.300 0.189 0.000 0.979 2502 D CA 1.420 55.572 54.000 0.253 0.000 0.874 2502 D CB 0.119 40.994 40.800 0.125 0.000 0.968 2502 D HN 0.601 nan 8.370 nan 0.000 0.510 2503 T N -4.405 110.055 114.554 -0.157 0.000 2.958 2503 T HA 0.357 4.700 4.350 -0.012 0.000 0.256 2503 T C 1.644 175.815 174.700 -0.881 0.000 0.983 2503 T CA 0.766 62.684 62.100 -0.304 0.000 0.924 2503 T CB 1.260 70.021 68.868 -0.178 0.000 1.136 2503 T HN 0.105 nan 8.240 nan 0.000 0.506 2504 G N 1.613 109.504 108.800 -1.515 0.000 2.176 2504 G HA2 -0.225 3.728 3.960 -0.012 0.000 0.253 2504 G HA3 -0.225 3.728 3.960 -0.012 0.000 0.253 2504 G C -0.199 174.253 174.900 -0.746 0.000 0.979 2504 G CA 0.109 44.133 45.100 -1.794 0.000 0.641 2504 G HN 0.767 nan 8.290 nan 0.000 0.530 2505 D N 0.220 120.338 120.400 -0.470 0.000 2.455 2505 D HA 0.316 4.949 4.640 -0.012 0.000 0.241 2505 D C 0.678 176.851 176.300 -0.213 0.000 1.138 2505 D CA -0.395 53.448 54.000 -0.261 0.000 0.877 2505 D CB 0.651 41.341 40.800 -0.184 0.000 1.187 2505 D HN 0.258 nan 8.370 nan 0.000 0.451 2506 L N 4.960 126.096 121.223 -0.144 0.000 2.385 2506 L HA 0.154 4.487 4.340 -0.012 0.000 0.281 2506 L C 0.417 177.241 176.870 -0.076 0.000 1.106 2506 L CA 0.315 55.096 54.840 -0.099 0.000 0.856 2506 L CB 0.266 42.272 42.059 -0.088 0.000 1.186 2506 L HN 0.569 nan 8.230 nan 0.000 0.453 2507 L N 4.418 125.611 121.223 -0.051 0.000 2.463 2507 L HA 0.259 4.592 4.340 -0.012 0.000 0.219 2507 L C -0.352 176.587 176.870 0.115 0.000 1.088 2507 L CA -0.159 54.678 54.840 -0.004 0.000 0.849 2507 L CB 0.089 42.124 42.059 -0.041 0.000 1.012 2507 L HN 0.673 nan 8.230 nan 0.000 0.468 2508 W N 1.326 122.550 121.300 -0.127 0.000 3.464 2508 W HA 0.382 5.034 4.660 -0.013 0.000 0.292 2508 W C -1.747 174.708 176.519 -0.106 0.000 1.262 2508 W CA -1.173 56.114 57.345 -0.096 0.000 1.202 2508 W CB 0.965 30.374 29.460 -0.085 0.000 1.334 2508 W HN -0.166 nan 8.180 nan 0.000 0.561 2509 K N 3.823 123.697 120.400 -0.878 0.000 2.536 2509 K HA 0.796 5.110 4.320 -0.012 0.000 0.269 2509 K C -2.358 173.559 176.600 -1.138 0.000 0.965 2509 K CA -0.894 54.793 56.287 -0.999 0.000 0.860 2509 K CB 2.834 34.977 32.500 -0.596 0.000 1.423 2509 K HN 0.437 nan 8.250 nan 0.000 0.438 2510 F N 1.292 120.720 119.950 -0.871 0.000 2.561 2510 F HA 0.362 4.877 4.527 -0.020 0.000 0.313 2510 F C -0.843 174.972 175.800 0.024 0.000 1.126 2510 F CA -0.784 57.012 58.000 -0.340 0.000 0.918 2510 F CB 2.279 41.183 39.000 -0.159 0.000 1.199 2510 F HN 0.634 nan 8.300 nan 0.000 0.444 2511 K N 7.838 127.918 120.400 -0.533 0.000 2.166 2511 K HA 0.273 4.586 4.320 -0.012 0.000 0.273 2511 K C -0.430 176.018 176.600 -0.255 0.000 1.095 2511 K CA -0.143 55.876 56.287 -0.447 0.000 0.985 2511 K CB -0.729 31.505 32.500 -0.443 0.000 1.172 2511 K HN 0.592 nan 8.250 nan 0.000 0.401 2512 I N 1.275 121.838 120.570 -0.012 0.000 2.886 2512 I HA 0.360 4.523 4.170 -0.012 0.000 0.299 2512 I C -1.584 174.435 176.117 -0.163 0.000 1.044 2512 I CA -2.149 59.178 61.300 0.045 0.000 1.310 2512 I CB 0.875 38.972 38.000 0.162 0.000 1.441 2512 I HN 0.325 nan 8.210 nan 0.000 0.578 2513 P HA -0.033 nan 4.420 nan 0.000 0.219 2513 P C 0.222 177.426 177.300 -0.160 0.000 1.150 2513 P CA 0.941 63.842 63.100 -0.333 0.000 0.814 2513 P CB 0.205 31.527 31.700 -0.631 0.000 0.787 2514 S N -2.214 113.455 115.700 -0.051 0.000 2.607 2514 S HA 0.631 5.094 4.470 -0.012 0.000 0.273 2514 S C -0.157 174.492 174.600 0.082 0.000 1.148 2514 S CA -0.653 57.577 58.200 0.051 0.000 0.833 2514 S CB 0.786 64.071 63.200 0.143 0.000 1.130 2514 S HN 0.064 nan 8.310 nan 0.000 0.470 2515 G N 1.013 109.851 108.800 0.063 0.000 2.559 2515 G HA2 0.479 4.432 3.960 -0.012 0.000 0.235 2515 G HA3 0.479 4.432 3.960 -0.012 0.000 0.235 2515 G C -0.012 174.981 174.900 0.155 0.000 1.266 2515 G CA 0.217 45.370 45.100 0.087 0.000 0.847 2515 G HN 1.062 nan 8.290 nan 0.000 0.583 2516 A N 1.316 124.255 122.820 0.198 0.000 2.292 2516 A HA 0.608 4.921 4.320 -0.012 0.000 0.319 2516 A C 0.791 178.555 177.584 0.300 0.000 1.206 2516 A CA -0.695 51.496 52.037 0.257 0.000 0.835 2516 A CB 0.637 19.800 19.000 0.272 0.000 1.164 2516 A HN 1.212 nan 8.150 nan 0.000 0.505 2517 I N 0.297 121.070 120.570 0.339 0.000 4.147 2517 I HA 0.467 4.630 4.170 -0.012 0.000 0.329 2517 I C 0.574 176.981 176.117 0.484 0.000 1.424 2517 I CA -0.196 61.371 61.300 0.445 0.000 1.127 2517 I CB 0.373 38.633 38.000 0.433 0.000 1.128 2517 I HN 0.508 nan 8.210 nan 0.000 0.417 2518 G N 1.001 110.055 108.800 0.424 0.000 2.820 2518 G HA2 0.552 4.505 3.960 -0.012 0.000 0.291 2518 G HA3 0.552 4.505 3.960 -0.012 0.000 0.291 2518 G C -1.278 173.827 174.900 0.343 0.000 1.323 2518 G CA -0.697 44.647 45.100 0.407 0.000 1.055 2518 G HN 0.328 nan 8.290 nan 0.000 0.520 2519 Y N -1.492 118.970 120.300 0.270 0.000 2.453 2519 Y HA 0.726 5.273 4.550 -0.005 0.000 0.326 2519 Y C -2.521 173.426 175.900 0.078 0.000 1.186 2519 Y CA -3.313 54.907 58.100 0.199 0.000 1.200 2519 Y CB 0.594 39.161 38.460 0.180 0.000 1.247 2519 Y HN 0.246 nan 8.280 nan 0.000 0.482 2520 P HA 0.304 nan 4.420 nan 0.000 0.277 2520 P C -0.973 176.261 177.300 -0.111 0.000 1.240 2520 P CA -0.413 62.690 63.100 0.005 0.000 0.798 2520 P CB 1.062 32.800 31.700 0.063 0.000 0.979 2521 M N -0.791 118.572 119.600 -0.396 0.000 2.658 2521 M HA 0.830 5.303 4.480 -0.012 0.000 0.295 2521 M C -0.619 175.445 176.300 -0.394 0.000 1.248 2521 M CA -0.436 54.383 55.300 -0.800 0.000 0.843 2521 M CB 1.708 33.389 32.600 -1.531 0.000 1.749 2521 M HN 0.141 nan 8.290 nan 0.000 0.464 2522 T N 0.904 115.362 114.554 -0.160 0.000 2.900 2522 T HA 0.860 5.203 4.350 -0.012 0.000 0.303 2522 T C -2.182 172.694 174.700 0.293 0.000 1.142 2522 T CA -0.410 61.704 62.100 0.023 0.000 1.007 2522 T CB 1.106 69.940 68.868 -0.058 0.000 1.156 2522 T HN 1.103 nan 8.240 nan 0.000 0.490 2523 Y N -0.694 119.671 120.300 0.109 0.000 2.641 2523 Y HA 0.675 5.217 4.550 -0.014 0.000 0.333 2523 Y C -0.649 175.354 175.900 0.171 0.000 1.174 2523 Y CA -1.210 56.984 58.100 0.156 0.000 1.057 2523 Y CB 0.487 39.040 38.460 0.155 0.000 1.322 2523 Y HN 0.663 nan 8.280 nan 0.000 0.457 2524 T N -0.499 114.202 114.554 0.246 0.000 2.902 2524 T HA 0.565 4.908 4.350 -0.012 0.000 0.283 2524 T C -1.435 173.518 174.700 0.422 0.000 1.009 2524 T CA -0.427 61.798 62.100 0.208 0.000 1.051 2524 T CB 1.558 70.493 68.868 0.111 0.000 0.999 2524 T HN 0.983 nan 8.240 nan 0.000 0.474 2525 H N 0.549 119.800 119.070 0.302 0.000 3.018 2525 H HA 0.341 4.892 4.556 -0.010 0.000 0.334 2525 H C -0.414 175.024 175.328 0.182 0.000 0.983 2525 H CA -0.744 55.464 56.048 0.265 0.000 1.363 2525 H CB 0.756 30.701 29.762 0.305 0.000 1.668 2525 H HN 0.839 nan 8.280 nan 0.000 0.513 2526 K N 3.970 124.190 120.400 -0.301 0.000 3.071 2526 K HA -0.252 4.061 4.320 -0.012 0.000 0.262 2526 K C 0.895 177.455 176.600 -0.068 0.000 0.977 2526 K CA 1.029 57.188 56.287 -0.214 0.000 0.721 2526 K CB -1.488 30.834 32.500 -0.298 0.000 1.293 2526 K HN 1.167 nan 8.250 nan 0.000 0.475 2527 G N -1.415 107.370 108.800 -0.025 0.000 2.217 2527 G HA2 -0.294 3.659 3.960 -0.012 0.000 0.246 2527 G HA3 -0.294 3.659 3.960 -0.012 0.000 0.246 2527 G C 0.166 175.040 174.900 -0.044 0.000 0.990 2527 G CA 0.415 45.500 45.100 -0.026 0.000 0.627 2527 G HN 0.337 nan 8.290 nan 0.000 0.522 2528 T N 1.314 115.843 114.554 -0.040 0.000 2.795 2528 T HA 0.553 4.896 4.350 -0.012 0.000 0.282 2528 T C 0.025 174.541 174.700 -0.306 0.000 0.980 2528 T CA -0.186 61.798 62.100 -0.193 0.000 1.012 2528 T CB 1.945 70.665 68.868 -0.246 0.000 0.936 2528 T HN 0.433 nan 8.240 nan 0.000 0.457 2529 Q N 2.691 122.267 119.800 -0.372 0.000 2.267 2529 Q HA 0.337 4.670 4.340 -0.012 0.000 0.255 2529 Q C -1.476 174.145 176.000 -0.631 0.000 0.923 2529 Q CA -0.360 55.224 55.803 -0.365 0.000 0.925 2529 Q CB 0.498 29.094 28.738 -0.237 0.000 1.195 2529 Q HN 0.644 nan 8.270 nan 0.000 0.417 2530 Y N 1.348 121.368 120.300 -0.467 0.000 2.485 2530 Y HA 0.536 5.080 4.550 -0.011 0.000 0.345 2530 Y C -0.506 175.093 175.900 -0.502 0.000 0.998 2530 Y CA -0.941 56.847 58.100 -0.519 0.000 1.059 2530 Y CB 2.065 40.078 38.460 -0.745 0.000 1.234 2530 Y HN 0.288 nan 8.280 nan 0.000 0.461 2531 V N 2.411 122.202 119.914 -0.205 0.000 2.444 2531 V HA 0.815 4.928 4.120 -0.012 0.000 0.294 2531 V C -0.473 175.561 176.094 -0.101 0.000 1.022 2531 V CA -0.803 61.340 62.300 -0.261 0.000 0.850 2531 V CB 1.212 32.722 31.823 -0.521 0.000 0.992 2531 V HN 0.871 nan 8.190 nan 0.000 0.426 2532 A N 5.370 128.109 122.820 -0.135 0.000 2.355 2532 A HA 0.982 5.295 4.320 -0.012 0.000 0.324 2532 A C -1.039 176.451 177.584 -0.157 0.000 1.117 2532 A CA -0.630 51.323 52.037 -0.139 0.000 0.785 2532 A CB 1.471 20.354 19.000 -0.195 0.000 1.254 2532 A HN 0.899 nan 8.150 nan 0.000 0.453 2533 I N 0.511 121.028 120.570 -0.089 0.000 2.752 2533 I HA 0.500 4.663 4.170 -0.012 0.000 0.295 2533 I C -1.564 174.551 176.117 -0.002 0.000 1.219 2533 I CA -0.590 60.673 61.300 -0.062 0.000 1.030 2533 I CB 1.449 39.509 38.000 0.100 0.000 1.259 2533 I HN 0.661 nan 8.210 nan 0.000 0.423 2534 Y N 5.946 126.264 120.300 0.030 0.000 2.379 2534 Y HA 0.282 4.828 4.550 -0.007 0.000 0.337 2534 Y C -0.282 175.682 175.900 0.106 0.000 1.238 2534 Y CA 0.034 58.139 58.100 0.008 0.000 1.405 2534 Y CB 0.332 38.794 38.460 0.003 0.000 1.310 2534 Y HN 0.416 nan 8.280 nan 0.000 0.569 2535 Y N -1.603 118.796 120.300 0.165 0.000 2.524 2535 Y HA 0.866 5.358 4.550 -0.097 0.000 0.344 2535 Y C 0.011 175.888 175.900 -0.039 0.000 1.012 2535 Y CA -2.038 56.105 58.100 0.071 0.000 1.068 2535 Y CB 2.034 40.514 38.460 0.032 0.000 1.249 2535 Y HN 0.760 nan 8.280 nan 0.000 0.468 2536 G N 1.442 110.316 108.800 0.123 0.000 2.372 2536 G HA2 0.141 4.094 3.960 -0.012 0.000 0.207 2536 G HA3 0.141 4.094 3.960 -0.012 0.000 0.207 2536 G C -1.747 173.215 174.900 0.103 0.000 1.473 2536 G CA -0.617 44.494 45.100 0.018 0.000 1.183 2536 G HN 0.884 nan 8.290 nan 0.000 0.607 2537 V N 1.914 121.872 119.914 0.073 0.000 2.924 2537 V HA 0.897 5.010 4.120 -0.012 0.000 0.305 2537 V C 1.141 177.245 176.094 0.015 0.000 1.073 2537 V CA 2.166 64.489 62.300 0.037 0.000 1.098 2537 V CB 1.448 33.262 31.823 -0.014 0.000 1.000 2537 V HN 2.296 nan 8.190 nan 0.000 0.484 2538 G N 2.693 111.483 108.800 -0.016 0.000 2.455 2538 G HA2 0.571 4.524 3.960 -0.012 0.000 0.223 2538 G HA3 0.571 4.524 3.960 -0.012 0.000 0.223 2538 G C 0.249 175.143 174.900 -0.011 0.000 1.226 2538 G CA 0.191 45.283 45.100 -0.012 0.000 0.948 2538 G HN 2.063 nan 8.290 nan 0.000 0.478 2539 G N -1.427 107.427 108.800 0.090 0.000 2.641 2539 G HA2 -0.134 3.819 3.960 -0.012 0.000 0.254 2539 G HA3 -0.134 3.819 3.960 -0.012 0.000 0.254 2539 G C 0.946 175.933 174.900 0.144 0.000 1.315 2539 G CA 1.008 46.214 45.100 0.177 0.000 0.907 2539 G HN 1.722 nan 8.290 nan 0.000 0.572 2540 W N 1.577 122.871 121.300 -0.010 0.000 2.335 2540 W HA 0.014 4.665 4.660 -0.016 0.000 0.311 2540 W C 0.038 176.348 176.519 -0.348 0.000 1.213 2540 W CA 2.746 60.053 57.345 -0.064 0.000 1.274 2540 W CB -1.640 27.912 29.460 0.153 0.000 1.148 2540 W HN 0.449 nan 8.180 nan 0.000 0.498 2541 P HA -0.085 nan 4.420 nan 0.000 0.218 2541 P C 1.513 178.421 177.300 -0.653 0.000 1.148 2541 P CA 2.619 65.003 63.100 -1.193 0.000 0.822 2541 P CB -0.560 30.049 31.700 -1.818 0.000 0.784 2542 G N -0.542 108.041 108.800 -0.363 0.000 2.985 2542 G HA2 -0.010 3.943 3.960 -0.012 0.000 0.209 2542 G HA3 -0.010 3.943 3.960 -0.012 0.000 0.209 2542 G C 1.365 176.247 174.900 -0.030 0.000 1.165 2542 G CA 0.289 45.281 45.100 -0.180 0.000 0.776 2542 G HN 0.279 nan 8.290 nan 0.000 0.541 2543 V N -0.910 119.054 119.914 0.085 0.000 2.490 2543 V HA -0.007 4.106 4.120 -0.012 0.000 0.250 2543 V C 2.595 178.828 176.094 0.231 0.000 1.061 2543 V CA 1.987 64.447 62.300 0.266 0.000 1.064 2543 V CB -1.067 30.964 31.823 0.347 0.000 0.670 2543 V HN 0.177 nan 8.190 nan 0.000 0.461 2544 G N 0.356 109.236 108.800 0.134 0.000 2.402 2544 G HA2 -0.203 3.750 3.960 -0.012 0.000 0.216 2544 G HA3 -0.203 3.750 3.960 -0.012 0.000 0.216 2544 G C 1.488 176.430 174.900 0.070 0.000 1.162 2544 G CA 1.180 46.346 45.100 0.109 0.000 0.777 2544 G HN 0.496 nan 8.290 nan 0.000 0.539 2545 L N 0.798 122.036 121.223 0.025 0.000 2.027 2545 L HA 0.074 4.407 4.340 -0.012 0.000 0.206 2545 L C 2.896 179.734 176.870 -0.053 0.000 1.074 2545 L CA 1.359 56.191 54.840 -0.013 0.000 0.745 2545 L CB -0.611 41.427 42.059 -0.034 0.000 0.898 2545 L HN 0.077 nan 8.230 nan 0.000 0.433 2546 V N -0.898 118.948 119.914 -0.113 0.000 2.427 2546 V HA -0.236 3.877 4.120 -0.012 0.000 0.248 2546 V C 1.816 177.666 176.094 -0.407 0.000 1.051 2546 V CA 1.947 64.058 62.300 -0.315 0.000 1.048 2546 V CB -0.586 30.952 31.823 -0.476 0.000 0.666 2546 V HN 0.383 nan 8.190 nan 0.000 0.456 2547 F N -0.921 119.032 119.950 0.005 0.000 2.653 2547 F HA 0.325 4.855 4.527 0.006 0.000 0.304 2547 F C 0.767 176.566 175.800 -0.001 0.000 1.092 2547 F CA -0.030 57.971 58.000 0.001 0.000 1.279 2547 F CB 0.221 39.219 39.000 -0.004 0.000 1.044 2547 F HN 0.102 nan 8.300 nan 0.000 0.564 2548 D N 2.070 122.537 120.400 0.111 0.000 2.737 2548 D HA -0.199 4.434 4.640 -0.012 0.000 0.238 2548 D C -0.774 175.572 176.300 0.077 0.000 1.157 2548 D CA 0.536 54.578 54.000 0.071 0.000 0.694 2548 D CB -0.944 39.885 40.800 0.048 0.000 1.021 2548 D HN 0.214 nan 8.370 nan 0.000 0.420 2549 L N -0.431 120.844 121.223 0.086 0.000 2.331 2549 L HA 0.766 5.099 4.340 -0.012 0.000 0.275 2549 L C 1.348 178.244 176.870 0.043 0.000 1.022 2549 L CA -0.129 54.749 54.840 0.064 0.000 0.812 2549 L CB 1.730 43.836 42.059 0.077 0.000 1.257 2549 L HN 0.143 nan 8.230 nan 0.000 0.435 2550 A N 0.305 123.140 122.820 0.025 0.000 2.263 2550 A HA 0.077 4.390 4.320 -0.012 0.000 0.200 2550 A C 0.288 177.875 177.584 0.006 0.000 1.428 2550 A CA -0.086 51.959 52.037 0.014 0.000 1.050 2550 A CB 0.190 19.194 19.000 0.007 0.000 1.226 2550 A HN 0.683 nan 8.150 nan 0.000 0.501 2551 D N 1.589 121.992 120.400 0.005 0.000 2.401 2551 D HA 0.143 4.776 4.640 -0.012 0.000 0.254 2551 D C -1.387 174.921 176.300 0.013 0.000 1.192 2551 D CA -1.580 52.421 54.000 0.002 0.000 0.885 2551 D CB 1.267 42.062 40.800 -0.008 0.000 1.147 2551 D HN 0.105 nan 8.370 nan 0.000 0.478 2552 P HA -0.104 nan 4.420 nan 0.000 0.223 2552 P C 1.024 178.358 177.300 0.056 0.000 1.151 2552 P CA 1.061 64.178 63.100 0.029 0.000 0.787 2552 P CB -0.135 31.577 31.700 0.020 0.000 0.788 2553 T N -3.724 110.856 114.554 0.043 0.000 3.113 2553 T HA 0.364 4.707 4.350 -0.012 0.000 0.256 2553 T C 1.030 175.751 174.700 0.037 0.000 1.131 2553 T CA -0.021 62.108 62.100 0.048 0.000 1.074 2553 T CB -0.538 68.346 68.868 0.026 0.000 0.944 2553 T HN 0.052 nan 8.240 nan 0.000 0.516 2554 A N 0.737 123.572 122.820 0.026 0.000 2.366 2554 A HA 0.567 4.880 4.320 -0.012 0.000 0.250 2554 A C 1.631 179.252 177.584 0.062 0.000 1.099 2554 A CA 0.033 52.076 52.037 0.009 0.000 0.794 2554 A CB -1.064 17.933 19.000 -0.004 0.000 1.056 2554 A HN 1.454 nan 8.150 nan 0.000 0.499 2555 G N -1.179 107.645 108.800 0.039 0.000 2.273 2555 G HA2 -0.081 3.872 3.960 -0.012 0.000 0.280 2555 G HA3 -0.081 3.872 3.960 -0.012 0.000 0.280 2555 G C 0.404 175.496 174.900 0.319 0.000 1.047 2555 G CA 0.262 45.451 45.100 0.148 0.000 0.869 2555 G HN 1.762 nan 8.290 nan 0.000 0.502 2556 L N -3.180 118.140 121.223 0.161 0.000 4.001 2556 L HA -0.257 4.076 4.340 -0.012 0.000 0.413 2556 L C 2.054 179.166 176.870 0.403 0.000 1.185 2556 L CA 1.180 56.172 54.840 0.254 0.000 0.963 2556 L CB -1.503 40.777 42.059 0.369 0.000 1.976 2556 L HN 2.078 nan 8.230 nan 0.000 0.939 2557 G N -1.964 106.989 108.800 0.255 0.000 2.176 2557 G HA2 -0.241 3.712 3.960 -0.012 0.000 0.253 2557 G HA3 -0.241 3.712 3.960 -0.012 0.000 0.253 2557 G C 0.866 175.859 174.900 0.155 0.000 0.979 2557 G CA 0.550 45.767 45.100 0.195 0.000 0.641 2557 G HN 0.982 nan 8.290 nan 0.000 0.530 2558 A N -0.164 122.756 122.820 0.167 0.000 2.066 2558 A HA 0.433 4.746 4.320 -0.012 0.000 0.218 2558 A C 2.494 180.176 177.584 0.164 0.000 1.157 2558 A CA 2.171 54.246 52.037 0.064 0.000 0.670 2558 A CB -0.219 18.698 19.000 -0.137 0.000 0.804 2558 A HN 1.050 nan 8.150 nan 0.000 0.453 2559 V N -0.125 119.878 119.914 0.148 0.000 2.343 2559 V HA -0.188 3.925 4.120 -0.012 0.000 0.247 2559 V C 2.805 178.954 176.094 0.092 0.000 1.051 2559 V CA 2.026 64.399 62.300 0.122 0.000 1.036 2559 V CB -1.307 30.571 31.823 0.092 0.000 0.654 2559 V HN 0.582 nan 8.190 nan 0.000 0.451 2560 G N -0.499 108.344 108.800 0.071 0.000 2.402 2560 G HA2 -0.181 3.772 3.960 -0.012 0.000 0.216 2560 G HA3 -0.181 3.772 3.960 -0.012 0.000 0.216 2560 G C 1.787 176.705 174.900 0.030 0.000 1.162 2560 G CA 0.984 46.087 45.100 0.004 0.000 0.777 2560 G HN 0.598 nan 8.290 nan 0.000 0.539 2561 A N 0.234 123.136 122.820 0.136 0.000 1.908 2561 A HA 0.127 4.440 4.320 -0.012 0.000 0.218 2561 A C 1.646 179.158 177.584 -0.119 0.000 1.181 2561 A CA 0.981 53.070 52.037 0.087 0.000 0.627 2561 A CB -0.407 18.559 19.000 -0.056 0.000 0.818 2561 A HN 0.334 nan 8.150 nan 0.000 0.445 2562 F N 0.091 120.103 119.950 0.103 0.000 2.837 2562 F HA 0.176 4.699 4.527 -0.008 0.000 0.298 2562 F C 1.730 177.567 175.800 0.062 0.000 1.161 2562 F CA 0.075 58.121 58.000 0.075 0.000 1.353 2562 F CB 0.282 39.241 39.000 -0.067 0.000 0.951 2562 F HN 0.332 nan 8.300 nan 0.000 0.508 2563 K N -0.338 120.134 120.400 0.119 0.000 2.211 2563 K HA -0.140 4.173 4.320 -0.012 0.000 0.204 2563 K C 1.299 177.973 176.600 0.125 0.000 1.047 2563 K CA 1.244 57.563 56.287 0.053 0.000 0.935 2563 K CB -0.064 32.373 32.500 -0.105 0.000 0.728 2563 K HN 0.030 nan 8.250 nan 0.000 0.452 2564 K N 0.693 121.242 120.400 0.249 0.000 2.426 2564 K HA 0.050 4.363 4.320 -0.012 0.000 0.193 2564 K C 1.781 178.653 176.600 0.453 0.000 1.028 2564 K CA 0.128 56.629 56.287 0.356 0.000 1.047 2564 K CB -0.096 32.688 32.500 0.473 0.000 0.821 2564 K HN 0.133 nan 8.250 nan 0.000 0.513 2565 L N 1.621 123.002 121.223 0.263 0.000 2.042 2565 L HA -0.107 4.226 4.340 -0.012 0.000 0.210 2565 L C 1.967 178.900 176.870 0.105 0.000 1.076 2565 L CA 1.812 56.647 54.840 -0.009 0.000 0.749 2565 L CB -0.762 41.161 42.059 -0.227 0.000 0.893 2565 L HN 0.155 nan 8.230 nan 0.000 0.432 2566 A N -1.001 121.868 122.820 0.081 0.000 2.178 2566 A HA -0.181 4.132 4.320 -0.012 0.000 0.218 2566 A C 1.860 179.464 177.584 0.033 0.000 1.157 2566 A CA 1.602 53.666 52.037 0.046 0.000 0.689 2566 A CB -1.046 17.969 19.000 0.025 0.000 0.787 2566 A HN 0.731 nan 8.150 nan 0.000 0.465 2567 N N -2.193 116.533 118.700 0.045 0.000 2.467 2567 N HA 0.019 4.752 4.740 -0.012 0.000 0.184 2567 N C 0.479 175.813 175.510 -0.293 0.000 1.106 2567 N CA 0.803 53.770 53.050 -0.137 0.000 0.892 2567 N CB -0.021 38.335 38.487 -0.217 0.000 0.969 2567 N HN 0.672 nan 8.380 nan 0.000 0.454 2568 Y N -1.395 118.961 120.300 0.093 0.000 2.423 2568 Y HA 0.302 4.843 4.550 -0.016 0.000 0.257 2568 Y C 0.618 176.532 175.900 0.023 0.000 1.087 2568 Y CA -0.139 58.020 58.100 0.097 0.000 1.258 2568 Y CB 1.201 39.803 38.460 0.237 0.000 1.237 2568 Y HN -0.195 nan 8.280 nan 0.000 0.517 2569 T N -0.041 114.583 114.554 0.116 0.000 2.853 2569 T HA 0.448 4.791 4.350 -0.012 0.000 0.311 2569 T C -1.562 173.142 174.700 0.007 0.000 1.307 2569 T CA -0.642 61.480 62.100 0.038 0.000 1.019 2569 T CB 1.598 70.483 68.868 0.028 0.000 1.264 2569 T HN -0.166 nan 8.240 nan 0.000 0.497 2570 Q N 1.462 121.258 119.800 -0.006 0.000 2.572 2570 Q HA 0.538 4.871 4.340 -0.012 0.000 0.284 2570 Q C -0.139 175.857 176.000 -0.007 0.000 1.091 2570 Q CA -0.957 54.839 55.803 -0.012 0.000 0.840 2570 Q CB 1.778 30.506 28.738 -0.016 0.000 1.433 2570 Q HN 0.694 nan 8.270 nan 0.000 0.471 2571 M N -0.019 119.574 119.600 -0.012 0.000 2.207 2571 M HA 0.432 4.905 4.480 -0.012 0.000 0.311 2571 M C 0.556 176.866 176.300 0.018 0.000 1.127 2571 M CA 0.559 55.856 55.300 -0.005 0.000 1.181 2571 M CB 0.409 32.994 32.600 -0.024 0.000 1.409 2571 M HN 0.827 nan 8.290 nan 0.000 0.461 2572 G N -0.616 108.198 108.800 0.023 0.000 2.490 2572 G HA2 0.639 4.592 3.960 -0.012 0.000 0.308 2572 G HA3 0.639 4.592 3.960 -0.012 0.000 0.308 2572 G C -1.566 173.234 174.900 -0.167 0.000 1.286 2572 G CA -0.199 44.919 45.100 0.030 0.000 0.825 2572 G HN 0.952 nan 8.290 nan 0.000 0.479 2573 G N -1.328 107.231 108.800 -0.401 0.000 2.455 2573 G HA2 0.819 4.772 3.960 -0.012 0.000 0.298 2573 G HA3 0.819 4.772 3.960 -0.012 0.000 0.298 2573 G C -0.250 173.999 174.900 -1.085 0.000 1.349 2573 G CA 0.793 45.252 45.100 -1.069 0.000 1.220 2573 G HN 2.057 nan 8.290 nan 0.000 0.598 2574 G N -1.227 106.713 108.800 -1.434 0.000 2.321 2574 G HA2 0.662 4.615 3.960 -0.012 0.000 0.296 2574 G HA3 0.662 4.615 3.960 -0.012 0.000 0.296 2574 G C -1.846 172.735 174.900 -0.531 0.000 1.287 2574 G CA 0.210 44.755 45.100 -0.925 0.000 0.846 2574 G HN 1.701 nan 8.290 nan 0.000 0.508 2575 V N -0.365 119.559 119.914 0.017 0.000 2.656 2575 V HA 0.767 4.880 4.120 -0.012 0.000 0.307 2575 V C -0.828 175.341 176.094 0.124 0.000 1.051 2575 V CA -0.640 61.743 62.300 0.137 0.000 0.893 2575 V CB 1.715 33.583 31.823 0.075 0.000 0.999 2575 V HN 0.891 nan 8.190 nan 0.000 0.426 2576 V N 6.703 126.645 119.914 0.045 0.000 2.459 2576 V HA 0.587 4.700 4.120 -0.012 0.000 0.295 2576 V C -0.421 175.424 176.094 -0.415 0.000 1.029 2576 V CA -0.545 61.633 62.300 -0.204 0.000 0.874 2576 V CB 1.855 33.560 31.823 -0.196 0.000 0.985 2576 V HN 0.674 nan 8.190 nan 0.000 0.438 2577 V N 5.174 124.667 119.914 -0.700 0.000 2.448 2577 V HA 0.560 4.673 4.120 -0.012 0.000 0.295 2577 V C -0.718 175.042 176.094 -0.556 0.000 1.025 2577 V CA -0.493 61.411 62.300 -0.660 0.000 0.859 2577 V CB 1.403 32.509 31.823 -1.195 0.000 0.988 2577 V HN 0.652 nan 8.190 nan 0.000 0.431 2578 F N 2.484 122.307 119.950 -0.212 0.000 2.458 2578 F HA 0.813 5.334 4.527 -0.011 0.000 0.330 2578 F C 0.608 176.314 175.800 -0.157 0.000 1.082 2578 F CA -0.285 57.614 58.000 -0.168 0.000 0.995 2578 F CB 2.263 41.160 39.000 -0.171 0.000 1.170 2578 F HN 0.589 nan 8.300 nan 0.000 0.478 2579 S N 1.081 116.784 115.700 0.005 0.000 2.625 2579 S HA 0.655 5.118 4.470 -0.012 0.000 0.271 2579 S C -1.234 173.287 174.600 -0.132 0.000 1.161 2579 S CA -1.155 56.941 58.200 -0.174 0.000 0.820 2579 S CB 0.942 63.943 63.200 -0.331 0.000 1.137 2579 S HN 0.557 nan 8.310 nan 0.000 0.470 2580 L N 2.182 123.301 121.223 -0.173 0.000 2.513 2580 L HA 0.175 4.508 4.340 -0.012 0.000 0.272 2580 L C 0.004 176.832 176.870 -0.071 0.000 1.187 2580 L CA 0.462 55.230 54.840 -0.121 0.000 0.895 2580 L CB -0.534 41.450 42.059 -0.126 0.000 1.147 2580 L HN 0.836 nan 8.230 nan 0.000 0.483 2581 D N 2.567 122.949 120.400 -0.030 0.000 3.039 2581 D HA -0.210 4.423 4.640 -0.012 0.000 0.222 2581 D C 1.178 177.488 176.300 0.017 0.000 1.179 2581 D CA 1.439 55.441 54.000 0.004 0.000 0.880 2581 D CB -1.156 39.643 40.800 -0.001 0.000 1.115 2581 D HN 1.086 nan 8.370 nan 0.000 0.416 2582 G N 0.368 109.174 108.800 0.012 0.000 2.203 2582 G HA2 -0.421 3.532 3.960 -0.012 0.000 0.263 2582 G HA3 -0.421 3.532 3.960 -0.012 0.000 0.263 2582 G C 0.311 175.242 174.900 0.052 0.000 1.012 2582 G CA 0.900 46.018 45.100 0.030 0.000 0.749 2582 G HN 0.686 nan 8.290 nan 0.000 0.512 2583 K N 0.271 120.685 120.400 0.023 0.000 2.489 2583 K HA 0.480 4.793 4.320 -0.012 0.000 0.278 2583 K C 0.960 177.641 176.600 0.135 0.000 1.000 2583 K CA 0.741 57.055 56.287 0.045 0.000 1.012 2583 K CB 0.022 32.514 32.500 -0.014 0.000 0.903 2583 K HN 0.704 nan 8.250 nan 0.000 0.485 2584 G N 2.883 111.786 108.800 0.172 0.000 2.634 2584 G HA2 0.267 4.220 3.960 -0.012 0.000 0.309 2584 G HA3 0.267 4.220 3.960 -0.012 0.000 0.309 2584 G C -2.421 172.527 174.900 0.080 0.000 1.299 2584 G CA -0.832 44.416 45.100 0.247 0.000 0.798 2584 G HN 0.472 nan 8.290 nan 0.000 0.490 2585 P HA 0.054 nan 4.420 nan 0.000 0.233 2585 P C -0.106 176.939 177.300 -0.425 0.000 1.167 2585 P CA 0.906 63.791 63.100 -0.358 0.000 0.770 2585 P CB 0.106 31.383 31.700 -0.704 0.000 0.837 2586 Y N -0.361 119.949 120.300 0.017 0.000 2.681 2586 Y HA 0.178 4.720 4.550 -0.014 0.000 0.267 2586 Y C 1.440 177.356 175.900 0.027 0.000 1.166 2586 Y CA -0.725 57.381 58.100 0.010 0.000 1.209 2586 Y CB -0.532 37.929 38.460 0.002 0.000 1.161 2586 Y HN -0.160 nan 8.280 nan 0.000 0.534 2587 D N 0.073 120.544 120.400 0.119 0.000 2.178 2587 D HA -0.153 4.480 4.640 -0.012 0.000 0.201 2587 D C 0.494 176.841 176.300 0.077 0.000 0.980 2587 D CA 1.391 55.445 54.000 0.090 0.000 0.842 2587 D CB 0.051 40.888 40.800 0.062 0.000 0.948 2587 D HN 0.206 nan 8.370 nan 0.000 0.472 2588 D N 0.161 120.606 120.400 0.075 0.000 2.393 2588 D HA 0.044 4.677 4.640 -0.012 0.000 0.232 2588 D C -1.682 174.678 176.300 0.099 0.000 1.192 2588 D CA -1.985 52.056 54.000 0.068 0.000 0.882 2588 D CB 1.320 42.150 40.800 0.050 0.000 1.038 2588 D HN 0.041 nan 8.370 nan 0.000 0.499 2589 P HA -0.037 nan 4.420 nan 0.000 0.237 2589 P C 0.543 177.876 177.300 0.055 0.000 1.178 2589 P CA 0.227 63.374 63.100 0.079 0.000 0.766 2589 P CB 0.508 32.233 31.700 0.043 0.000 0.876 2590 N N 0.013 118.746 118.700 0.054 0.000 2.457 2590 N HA -0.007 4.726 4.740 -0.012 0.000 0.180 2590 N C 0.541 176.086 175.510 0.058 0.000 1.050 2590 N CA 0.309 53.383 53.050 0.040 0.000 0.906 2590 N CB -0.130 38.373 38.487 0.026 0.000 0.968 2590 N HN 0.081 nan 8.380 nan 0.000 0.445 2591 V N 0.941 120.919 119.914 0.105 0.000 2.599 2591 V HA 0.143 4.256 4.120 -0.012 0.000 0.300 2591 V C 1.509 177.712 176.094 0.181 0.000 1.034 2591 V CA 0.985 63.368 62.300 0.139 0.000 1.115 2591 V CB 0.405 32.320 31.823 0.154 0.000 0.934 2591 V HN 0.590 nan 8.190 nan 0.000 0.485 2592 G N 3.380 112.255 108.800 0.124 0.000 2.179 2592 G HA2 -0.192 3.761 3.960 -0.012 0.000 0.260 2592 G HA3 -0.192 3.761 3.960 -0.012 0.000 0.260 2592 G C 0.138 175.064 174.900 0.043 0.000 0.977 2592 G CA 0.076 45.239 45.100 0.105 0.000 0.641 2592 G HN 0.631 nan 8.290 nan 0.000 0.533 2593 E N -0.872 119.349 120.200 0.036 0.000 2.392 2593 E HA 0.302 4.645 4.350 -0.012 0.000 0.259 2593 E C 0.214 176.878 176.600 0.107 0.000 1.108 2593 E CA -0.784 55.650 56.400 0.057 0.000 0.916 2593 E CB 0.548 30.274 29.700 0.044 0.000 0.989 2593 E HN 0.344 nan 8.360 nan 0.000 0.432 2594 W N 1.391 122.678 121.300 -0.021 0.000 2.253 2594 W HA 0.326 4.979 4.660 -0.012 0.000 0.322 2594 W C -0.051 176.462 176.519 -0.009 0.000 1.342 2594 W CA 0.233 57.570 57.345 -0.013 0.000 1.218 2594 W CB 0.117 29.568 29.460 -0.014 0.000 1.205 2594 W HN 0.348 nan 8.180 nan 0.000 0.551 2595 K N 4.080 124.082 120.400 -0.662 0.000 2.375 2595 K HA 0.596 4.909 4.320 -0.012 0.000 0.249 2595 K C -0.467 175.356 176.600 -1.296 0.000 0.942 2595 K CA -0.598 55.245 56.287 -0.740 0.000 0.806 2595 K CB 1.570 33.858 32.500 -0.353 0.000 1.227 2595 K HN 0.612 nan 8.250 nan 0.000 0.430 2596 S N -0.219 114.850 115.700 -1.051 0.000 2.603 2596 S HA 0.806 5.269 4.470 -0.012 0.000 0.268 2596 S C 0.066 174.443 174.600 -0.372 0.000 1.317 2596 S CA 0.603 58.352 58.200 -0.751 0.000 1.012 2596 S CB 0.332 63.351 63.200 -0.301 0.000 0.926 2596 S HN 2.042 nan 8.310 nan 0.000 0.539 2597 A N 0.000 122.686 122.820 -0.224 0.000 2.254 2597 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 2597 A CA 0.000 nan 52.037 nan 0.000 0.836 2597 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2597 A HN 0.000 nan 8.150 nan 0.000 0.486