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 1h8t_1_C DATA FIRST_RESID 2001 DATA SEQUENCE GLPVINTPGS NQFLTSDDFQ SPSAMPQFDV TPELNIPGEV QNLMEIAEVD DATA SEQUENCE SVVPVNNVAG NLETMDIYRI PVQSGNHQSS QVFGFQVQPG LDGVFKHTLL DATA SEQUENCE GEILNYYAHW SGSIKLTFVF CGSAMATGKF LLAYAPPGAN APKSRKDAML DATA SEQUENCE GTHIIWDVGL QSSCVLCIPW ISQTHYRLVQ QDEYTSAGNV TCWYQTGIVV DATA SEQUENCE PAGTPTSCSI MCFVSACNDF SVRLLKDTPF IQQAALLQ 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2001 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2001 G C 0.000 174.896 174.900 -0.006 0.000 0.946 2001 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 2002 L N 3.737 124.956 121.223 -0.007 0.000 2.319 2002 L HA 0.703 5.043 4.340 0.000 0.000 0.280 2002 L C -1.838 175.028 176.870 -0.007 0.000 1.099 2002 L CA -1.354 53.482 54.840 -0.006 0.000 0.828 2002 L CB 0.533 42.588 42.059 -0.007 0.000 1.150 2002 L HN 0.296 nan 8.230 nan 0.000 0.442 2003 P HA 0.275 nan 4.420 nan 0.000 0.267 2003 P C -1.259 176.037 177.300 -0.006 0.000 1.205 2003 P CA -0.115 62.982 63.100 -0.005 0.000 0.765 2003 P CB 1.010 32.708 31.700 -0.004 0.000 0.828 2004 V N 3.884 123.793 119.914 -0.007 0.000 3.049 2004 V HA 0.483 4.603 4.120 0.000 0.000 0.309 2004 V C -0.628 175.462 176.094 -0.007 0.000 1.148 2004 V CA -0.637 61.658 62.300 -0.008 0.000 0.990 2004 V CB 2.247 34.063 31.823 -0.012 0.000 1.039 2004 V HN 0.284 nan 8.190 nan 0.000 0.430 2005 I N 1.723 122.289 120.570 -0.006 0.000 2.499 2005 I HA 0.533 4.703 4.170 0.000 0.000 0.288 2005 I C -0.481 175.632 176.117 -0.006 0.000 1.048 2005 I CA -0.954 60.343 61.300 -0.005 0.000 1.062 2005 I CB 1.430 39.429 38.000 -0.002 0.000 1.238 2005 I HN 0.437 nan 8.210 nan 0.000 0.426 2006 N N 3.094 121.790 118.700 -0.006 0.000 2.488 2006 N HA 0.560 5.300 4.740 0.000 0.000 0.274 2006 N C -0.006 175.504 175.510 -0.001 0.000 1.111 2006 N CA -0.505 52.541 53.050 -0.007 0.000 0.974 2006 N CB 0.964 39.446 38.487 -0.009 0.000 1.089 2006 N HN 0.847 nan 8.380 nan 0.000 0.465 2007 T N -1.193 113.362 114.554 0.002 0.000 2.927 2007 T HA 0.511 4.861 4.350 0.000 0.000 0.281 2007 T C -2.453 172.254 174.700 0.012 0.000 0.998 2007 T CA -2.078 60.026 62.100 0.008 0.000 1.019 2007 T CB 0.990 69.865 68.868 0.013 0.000 1.061 2007 T HN 0.124 nan 8.240 nan 0.000 0.518 2008 P HA 0.300 nan 4.420 nan 0.000 0.266 2008 P C 1.152 178.468 177.300 0.026 0.000 1.193 2008 P CA 1.326 64.436 63.100 0.017 0.000 0.770 2008 P CB 0.070 31.779 31.700 0.015 0.000 0.836 2009 G N 0.880 109.698 108.800 0.031 0.000 2.279 2009 G HA2 -0.228 3.732 3.960 0.000 0.000 0.223 2009 G HA3 -0.228 3.732 3.960 0.000 0.000 0.223 2009 G C 0.326 175.255 174.900 0.048 0.000 1.015 2009 G CA -0.035 45.094 45.100 0.048 0.000 0.621 2009 G HN 0.598 nan 8.290 nan 0.000 0.506 2010 S N 1.692 117.407 115.700 0.026 0.000 2.563 2010 S HA 0.362 4.832 4.470 0.000 0.000 0.294 2010 S C 1.153 175.763 174.600 0.017 0.000 1.279 2010 S CA 0.716 58.921 58.200 0.009 0.000 1.069 2010 S CB 0.489 63.687 63.200 -0.004 0.000 0.828 2010 S HN 0.709 nan 8.310 nan 0.000 0.497 2011 N N -0.075 118.632 118.700 0.010 0.000 2.878 2011 N HA -0.169 4.571 4.740 0.000 0.000 0.247 2011 N C 0.056 175.605 175.510 0.065 0.000 1.021 2011 N CA 1.327 54.390 53.050 0.022 0.000 0.873 2011 N CB -1.067 37.428 38.487 0.013 0.000 1.128 2011 N HN 0.941 nan 8.380 nan 0.000 0.571 2012 Q N -0.259 119.598 119.800 0.094 0.000 2.212 2012 Q HA 0.514 4.854 4.340 0.000 0.000 0.238 2012 Q C -0.647 175.498 176.000 0.242 0.000 0.955 2012 Q CA -0.540 55.344 55.803 0.136 0.000 0.906 2012 Q CB 1.068 29.868 28.738 0.104 0.000 1.215 2012 Q HN 0.117 nan 8.270 nan 0.000 0.478 2013 F N 2.503 122.480 119.950 0.045 0.000 2.430 2013 F HA 0.400 4.927 4.527 0.000 0.000 0.362 2013 F C -2.008 173.816 175.800 0.040 0.000 1.103 2013 F CA -1.998 56.033 58.000 0.052 0.000 1.045 2013 F CB 0.975 39.995 39.000 0.034 0.000 1.276 2013 F HN 0.543 nan 8.300 nan 0.000 0.444 2014 L N 6.443 127.763 121.223 0.162 0.000 2.265 2014 L HA 0.374 4.714 4.340 0.000 0.000 0.289 2014 L C 1.149 177.942 176.870 -0.129 0.000 1.033 2014 L CA 0.329 55.126 54.840 -0.072 0.000 0.814 2014 L CB 1.196 43.260 42.059 0.009 0.000 1.203 2014 L HN 0.726 nan 8.230 nan 0.000 0.423 2015 T N 1.564 115.906 114.554 -0.354 0.000 2.714 2015 T HA -0.193 4.157 4.350 0.000 0.000 0.268 2015 T C 1.256 175.912 174.700 -0.073 0.000 1.036 2015 T CA 2.219 64.166 62.100 -0.254 0.000 1.148 2015 T CB -0.178 68.537 68.868 -0.256 0.000 0.856 2015 T HN 0.817 nan 8.240 nan 0.000 0.462 2016 S N 1.278 116.927 115.700 -0.085 0.000 2.561 2016 S HA 0.205 4.675 4.470 0.000 0.000 0.245 2016 S C 0.039 174.577 174.600 -0.104 0.000 1.001 2016 S CA -0.750 57.404 58.200 -0.077 0.000 1.002 2016 S CB -0.183 62.967 63.200 -0.084 0.000 0.805 2016 S HN 0.570 nan 8.310 nan 0.000 0.458 2017 D N 0.991 121.331 120.400 -0.101 0.000 2.380 2017 D HA 0.353 4.993 4.640 0.000 0.000 0.254 2017 D C -0.354 175.746 176.300 -0.333 0.000 1.288 2017 D CA -0.216 53.620 54.000 -0.272 0.000 1.008 2017 D CB 0.159 40.814 40.800 -0.242 0.000 1.099 2017 D HN 0.110 nan 8.370 nan 0.000 0.537 2018 D N -1.128 118.883 120.400 -0.648 0.000 2.752 2018 D HA 0.211 4.851 4.640 0.000 0.000 0.242 2018 D C -1.852 174.211 176.300 -0.395 0.000 1.295 2018 D CA -0.414 53.362 54.000 -0.373 0.000 0.846 2018 D CB -0.488 40.168 40.800 -0.240 0.000 1.454 2018 D HN 0.184 nan 8.370 nan 0.000 0.535 2019 F N 0.179 120.141 119.950 0.019 0.000 2.618 2019 F HA 0.525 5.052 4.527 0.000 0.000 0.332 2019 F C 1.095 176.897 175.800 0.004 0.000 1.061 2019 F CA -0.857 57.150 58.000 0.011 0.000 0.974 2019 F CB 0.999 40.005 39.000 0.011 0.000 1.310 2019 F HN -0.070 nan 8.300 nan 0.000 0.491 2020 Q N 0.355 120.292 119.800 0.229 0.000 2.382 2020 Q HA 0.627 4.967 4.340 0.000 0.000 0.229 2020 Q C -0.980 175.071 176.000 0.086 0.000 1.006 2020 Q CA -0.378 55.492 55.803 0.111 0.000 0.916 2020 Q CB 1.392 30.173 28.738 0.073 0.000 1.235 2020 Q HN 0.731 nan 8.270 nan 0.000 0.512 2021 S N 0.105 115.832 115.700 0.045 0.000 2.537 2021 S HA 0.534 5.004 4.470 0.000 0.000 0.270 2021 S C -2.698 171.904 174.600 0.003 0.000 1.142 2021 S CA -1.416 56.794 58.200 0.017 0.000 0.870 2021 S CB 0.779 63.988 63.200 0.015 0.000 1.112 2021 S HN 0.412 nan 8.310 nan 0.000 0.466 2022 P HA 0.387 nan 4.420 nan 0.000 0.268 2022 P C -0.546 176.747 177.300 -0.012 0.000 1.205 2022 P CA -0.255 62.839 63.100 -0.010 0.000 0.771 2022 P CB 0.500 32.189 31.700 -0.017 0.000 0.858 2023 S N 1.129 116.825 115.700 -0.007 0.000 2.537 2023 S HA 0.470 4.940 4.470 0.000 0.000 0.275 2023 S C 0.999 175.588 174.600 -0.019 0.000 1.272 2023 S CA -0.191 58.002 58.200 -0.012 0.000 1.050 2023 S CB 0.555 63.755 63.200 0.001 0.000 0.961 2023 S HN 0.475 nan 8.310 nan 0.000 0.496 2024 A N 4.740 127.539 122.820 -0.035 0.000 2.238 2024 A HA 0.382 4.702 4.320 0.000 0.000 0.208 2024 A C 0.704 178.268 177.584 -0.034 0.000 1.177 2024 A CA 0.260 52.275 52.037 -0.037 0.000 0.804 2024 A CB -0.354 18.617 19.000 -0.049 0.000 0.823 2024 A HN 0.821 nan 8.150 nan 0.000 0.482 2025 M N 0.851 120.432 119.600 -0.031 0.000 2.353 2025 M HA 0.239 4.719 4.480 0.000 0.000 0.218 2025 M C -2.905 173.430 176.300 0.058 0.000 1.044 2025 M CA -1.618 53.679 55.300 -0.006 0.000 0.615 2025 M CB 1.572 34.113 32.600 -0.098 0.000 1.531 2025 M HN -0.126 nan 8.290 nan 0.000 0.378 2026 P HA -0.012 nan 4.420 nan 0.000 0.261 2026 P C -0.121 177.228 177.300 0.082 0.000 1.183 2026 P CA 0.615 63.747 63.100 0.054 0.000 0.761 2026 P CB 0.453 32.173 31.700 0.033 0.000 0.785 2027 Q N -0.175 119.674 119.800 0.083 0.000 2.460 2027 Q HA -0.233 4.107 4.340 0.000 0.000 0.248 2027 Q C -0.099 175.964 176.000 0.106 0.000 0.847 2027 Q CA 0.661 56.509 55.803 0.075 0.000 1.214 2027 Q CB -2.488 26.274 28.738 0.041 0.000 1.523 2027 Q HN 0.552 nan 8.270 nan 0.000 0.602 2028 F N 2.291 122.240 119.950 -0.002 0.000 2.608 2028 F HA 0.107 4.634 4.527 0.000 0.000 0.380 2028 F C 0.681 176.480 175.800 -0.002 0.000 1.083 2028 F CA 0.042 58.041 58.000 -0.002 0.000 1.266 2028 F CB 0.528 39.526 39.000 -0.002 0.000 1.076 2028 F HN -0.080 nan 8.300 nan 0.000 0.574 2029 D N 6.073 126.110 120.400 -0.605 0.000 2.411 2029 D HA 0.166 4.806 4.640 0.000 0.000 0.225 2029 D C -0.559 175.388 176.300 -0.589 0.000 1.156 2029 D CA -0.109 53.632 54.000 -0.432 0.000 0.874 2029 D CB 0.645 41.257 40.800 -0.314 0.000 1.034 2029 D HN 0.357 nan 8.370 nan 0.000 0.502 2030 V N 3.447 123.230 119.914 -0.218 0.000 2.872 2030 V HA 0.075 4.195 4.120 0.000 0.000 0.307 2030 V C 0.978 177.039 176.094 -0.055 0.000 1.072 2030 V CA 0.087 62.378 62.300 -0.015 0.000 1.148 2030 V CB 1.331 33.228 31.823 0.124 0.000 0.954 2030 V HN 0.739 nan 8.190 nan 0.000 0.490 2031 T N 6.812 121.366 114.554 0.000 0.000 2.901 2031 T HA 0.301 4.651 4.350 0.000 0.000 0.301 2031 T C -2.104 172.594 174.700 -0.003 0.000 1.012 2031 T CA -1.147 60.943 62.100 -0.015 0.000 1.135 2031 T CB 0.858 69.730 68.868 0.007 0.000 0.936 2031 T HN 0.645 nan 8.240 nan 0.000 0.539 2032 P HA 0.109 nan 4.420 nan 0.000 0.264 2032 P C -0.214 177.087 177.300 0.001 0.000 1.179 2032 P CA -0.078 63.017 63.100 -0.007 0.000 0.763 2032 P CB 0.298 31.990 31.700 -0.012 0.000 0.806 2033 E N 1.181 121.383 120.200 0.003 0.000 2.366 2033 E HA 0.307 4.657 4.350 0.000 0.000 0.266 2033 E C -1.040 175.562 176.600 0.002 0.000 1.051 2033 E CA -0.586 55.817 56.400 0.005 0.000 0.884 2033 E CB 0.362 30.066 29.700 0.006 0.000 1.006 2033 E HN 0.230 nan 8.360 nan 0.000 0.417 2034 L N 3.971 125.196 121.223 0.003 0.000 2.362 2034 L HA 0.302 4.642 4.340 0.000 0.000 0.275 2034 L C -0.774 176.096 176.870 0.001 0.000 0.998 2034 L CA -0.291 54.550 54.840 0.001 0.000 0.820 2034 L CB 1.663 43.723 42.059 0.001 0.000 1.270 2034 L HN 0.602 nan 8.230 nan 0.000 0.415 2035 N N 5.287 123.987 118.700 -0.000 0.000 2.671 2035 N HA 0.242 4.982 4.740 0.000 0.000 0.274 2035 N C -0.653 174.856 175.510 -0.002 0.000 1.188 2035 N CA -0.308 52.741 53.050 -0.001 0.000 1.065 2035 N CB -0.001 38.485 38.487 -0.001 0.000 1.415 2035 N HN 0.567 nan 8.380 nan 0.000 0.511 2036 I N 3.341 123.910 120.570 -0.002 0.000 2.529 2036 I HA 0.207 4.377 4.170 0.000 0.000 0.284 2036 I C -1.669 174.445 176.117 -0.004 0.000 1.082 2036 I CA -1.829 59.469 61.300 -0.003 0.000 1.406 2036 I CB 0.675 38.673 38.000 -0.002 0.000 1.405 2036 I HN 0.323 nan 8.210 nan 0.000 0.548 2037 P HA 0.205 nan 4.420 nan 0.000 0.272 2037 P C 0.323 177.619 177.300 -0.008 0.000 1.230 2037 P CA -0.004 63.093 63.100 -0.006 0.000 0.788 2037 P CB 0.601 32.297 31.700 -0.006 0.000 0.949 2038 G N 0.027 108.821 108.800 -0.009 0.000 2.248 2038 G HA2 -0.237 3.723 3.960 0.000 0.000 0.263 2038 G HA3 -0.237 3.723 3.960 0.000 0.000 0.263 2038 G C -0.036 174.858 174.900 -0.010 0.000 1.082 2038 G CA -0.115 44.979 45.100 -0.011 0.000 0.863 2038 G HN 0.745 nan 8.290 nan 0.000 0.495 2039 E N 0.074 120.269 120.200 -0.008 0.000 2.290 2039 E HA 0.440 4.790 4.350 0.000 0.000 0.277 2039 E C 0.522 177.117 176.600 -0.009 0.000 1.035 2039 E CA -0.642 55.754 56.400 -0.008 0.000 0.873 2039 E CB 0.805 30.502 29.700 -0.006 0.000 1.029 2039 E HN 0.184 nan 8.360 nan 0.000 0.419 2040 V N 4.862 124.770 119.914 -0.010 0.000 2.567 2040 V HA 0.104 4.224 4.120 0.000 0.000 0.289 2040 V C 0.643 176.731 176.094 -0.009 0.000 1.049 2040 V CA -0.164 62.130 62.300 -0.011 0.000 0.969 2040 V CB 1.417 33.232 31.823 -0.013 0.000 0.995 2040 V HN 0.878 nan 8.190 nan 0.000 0.471 2041 Q N 2.163 121.959 119.800 -0.008 0.000 2.313 2041 Q HA 0.270 4.610 4.340 0.000 0.000 0.263 2041 Q C 0.183 176.182 176.000 -0.002 0.000 0.820 2041 Q CA 0.026 55.826 55.803 -0.004 0.000 0.974 2041 Q CB 1.008 29.744 28.738 -0.003 0.000 1.156 2041 Q HN 0.812 nan 8.270 nan 0.000 0.517 2042 N N -0.223 118.476 118.700 -0.003 0.000 2.369 2042 N HA 0.242 4.982 4.740 0.000 0.000 0.287 2042 N C 0.042 175.550 175.510 -0.002 0.000 1.067 2042 N CA -0.178 52.873 53.050 0.002 0.000 0.888 2042 N CB 1.462 39.949 38.487 -0.000 0.000 1.616 2042 N HN -0.082 nan 8.380 nan 0.000 0.482 2043 L N 1.767 122.995 121.223 0.010 0.000 2.263 2043 L HA -0.179 4.161 4.340 0.000 0.000 0.216 2043 L C 1.751 178.612 176.870 -0.016 0.000 1.111 2043 L CA 0.853 55.699 54.840 0.010 0.000 0.773 2043 L CB -0.363 41.731 42.059 0.058 0.000 0.906 2043 L HN 0.737 nan 8.230 nan 0.000 0.439 2044 M N -0.601 118.984 119.600 -0.026 0.000 2.279 2044 M HA -0.170 4.310 4.480 0.000 0.000 0.264 2044 M C 1.991 178.262 176.300 -0.049 0.000 1.062 2044 M CA 1.397 56.672 55.300 -0.041 0.000 1.099 2044 M CB -0.893 31.698 32.600 -0.015 0.000 1.394 2044 M HN 0.274 nan 8.290 nan 0.000 0.426 2045 E N 0.230 120.410 120.200 -0.033 0.000 2.118 2045 E HA -0.168 4.182 4.350 0.000 0.000 0.195 2045 E C 1.998 178.569 176.600 -0.048 0.000 0.992 2045 E CA 1.137 57.516 56.400 -0.035 0.000 0.804 2045 E CB -0.148 29.537 29.700 -0.024 0.000 0.741 2045 E HN 0.463 nan 8.360 nan 0.000 0.458 2046 I N 0.764 121.307 120.570 -0.045 0.000 2.286 2046 I HA -0.207 3.963 4.170 0.000 0.000 0.245 2046 I C 2.376 178.445 176.117 -0.081 0.000 1.104 2046 I CA 0.898 62.167 61.300 -0.051 0.000 1.397 2046 I CB -0.175 37.807 38.000 -0.030 0.000 1.072 2046 I HN 0.060 nan 8.210 nan 0.000 0.417 2047 A N -0.032 122.725 122.820 -0.104 0.000 2.121 2047 A HA -0.157 4.163 4.320 0.000 0.000 0.218 2047 A C 2.056 179.513 177.584 -0.211 0.000 1.154 2047 A CA 1.264 53.193 52.037 -0.180 0.000 0.679 2047 A CB -0.516 18.334 19.000 -0.250 0.000 0.795 2047 A HN 0.453 nan 8.150 nan 0.000 0.458 2048 E N -0.390 119.721 120.200 -0.148 0.000 2.502 2048 E HA 0.084 4.434 4.350 0.000 0.000 0.194 2048 E C -0.506 176.034 176.600 -0.100 0.000 1.062 2048 E CA -0.133 56.191 56.400 -0.127 0.000 0.867 2048 E CB 0.191 29.841 29.700 -0.083 0.000 0.888 2048 E HN 0.361 nan 8.360 nan 0.000 0.510 2049 V N 2.544 122.398 119.914 -0.100 0.000 2.465 2049 V HA 0.044 4.164 4.120 0.000 0.000 0.279 2049 V C 0.179 176.209 176.094 -0.108 0.000 1.045 2049 V CA -0.653 61.594 62.300 -0.089 0.000 0.938 2049 V CB 1.405 33.177 31.823 -0.085 0.000 0.986 2049 V HN 0.018 nan 8.190 nan 0.000 0.467 2050 D N 2.881 123.224 120.400 -0.096 0.000 2.443 2050 D HA 0.335 4.975 4.640 0.000 0.000 0.239 2050 D C 0.203 176.356 176.300 -0.245 0.000 1.136 2050 D CA 0.474 54.403 54.000 -0.118 0.000 0.879 2050 D CB 1.128 41.911 40.800 -0.028 0.000 1.195 2050 D HN 0.770 nan 8.370 nan 0.000 0.443 2051 S N -0.551 114.982 115.700 -0.278 0.000 2.564 2051 S HA 0.502 4.972 4.470 0.000 0.000 0.274 2051 S C -0.691 173.667 174.600 -0.403 0.000 1.124 2051 S CA -1.032 56.958 58.200 -0.350 0.000 0.869 2051 S CB 1.221 64.302 63.200 -0.198 0.000 1.105 2051 S HN 0.099 nan 8.310 nan 0.000 0.472 2052 V N 2.249 121.867 119.914 -0.494 0.000 2.508 2052 V HA 0.236 4.356 4.120 0.000 0.000 0.281 2052 V C 0.141 176.193 176.094 -0.070 0.000 1.041 2052 V CA -0.561 61.528 62.300 -0.351 0.000 1.016 2052 V CB 0.713 32.207 31.823 -0.548 0.000 0.984 2052 V HN 0.739 nan 8.190 nan 0.000 0.478 2053 V N 8.235 128.151 119.914 0.003 0.000 2.488 2053 V HA 0.219 4.339 4.120 0.000 0.000 0.277 2053 V C -1.567 174.523 176.094 -0.007 0.000 1.046 2053 V CA -1.264 60.994 62.300 -0.069 0.000 0.986 2053 V CB 1.386 33.062 31.823 -0.244 0.000 0.989 2053 V HN 0.812 nan 8.190 nan 0.000 0.475 2054 P HA 0.155 nan 4.420 nan 0.000 0.225 2054 P C 0.912 178.042 177.300 -0.284 0.000 1.813 2054 P CA -0.033 62.937 63.100 -0.216 0.000 1.013 2054 P CB 0.748 32.245 31.700 -0.339 0.000 1.961 2055 V N 1.439 121.190 119.914 -0.271 0.000 2.392 2055 V HA -0.199 3.921 4.120 0.000 0.000 0.249 2055 V C 1.777 177.764 176.094 -0.179 0.000 1.059 2055 V CA 1.687 63.809 62.300 -0.295 0.000 1.051 2055 V CB -1.142 30.493 31.823 -0.312 0.000 0.658 2055 V HN 0.506 nan 8.190 nan 0.000 0.455 2056 N N 1.397 120.004 118.700 -0.156 0.000 2.802 2056 N HA 0.040 4.780 4.740 0.000 0.000 0.288 2056 N C 0.484 175.915 175.510 -0.132 0.000 1.268 2056 N CA -0.166 52.818 53.050 -0.110 0.000 1.035 2056 N CB -0.407 38.027 38.487 -0.088 0.000 1.353 2056 N HN 0.769 nan 8.380 nan 0.000 0.522 2057 N N -0.273 118.339 118.700 -0.146 0.000 3.210 2057 N HA 0.043 4.783 4.740 0.000 0.000 0.314 2057 N C -0.602 174.851 175.510 -0.095 0.000 1.291 2057 N CA -0.440 52.522 53.050 -0.147 0.000 1.202 2057 N CB 0.615 39.008 38.487 -0.158 0.000 1.475 2057 N HN -0.106 nan 8.380 nan 0.000 0.554 2058 V N 0.919 120.785 119.914 -0.081 0.000 2.716 2058 V HA 0.480 4.600 4.120 0.000 0.000 0.304 2058 V C 0.648 176.709 176.094 -0.054 0.000 1.053 2058 V CA -1.018 61.251 62.300 -0.052 0.000 0.984 2058 V CB 1.357 33.157 31.823 -0.038 0.000 1.021 2058 V HN 0.657 nan 8.190 nan 0.000 0.467 2059 A N 3.363 126.159 122.820 -0.039 0.000 2.566 2059 A HA 0.468 4.788 4.320 0.000 0.000 0.245 2059 A C 1.427 178.987 177.584 -0.040 0.000 1.056 2059 A CA 0.855 52.870 52.037 -0.038 0.000 0.757 2059 A CB -0.751 18.234 19.000 -0.024 0.000 0.979 2059 A HN 2.159 nan 8.150 nan 0.000 0.508 2060 G N 2.113 110.885 108.800 -0.047 0.000 2.218 2060 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 2060 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 2060 G C 0.585 175.451 174.900 -0.058 0.000 0.994 2060 G CA 0.462 45.536 45.100 -0.045 0.000 0.637 2060 G HN 0.693 nan 8.290 nan 0.000 0.505 2061 N N 0.151 118.805 118.700 -0.076 0.000 2.205 2061 N HA 0.281 5.021 4.740 0.000 0.000 0.201 2061 N C 2.146 177.576 175.510 -0.132 0.000 1.128 2061 N CA 0.116 53.106 53.050 -0.099 0.000 0.867 2061 N CB -0.016 38.404 38.487 -0.112 0.000 0.996 2061 N HN 0.421 nan 8.380 nan 0.000 0.503 2062 L N 0.311 121.463 121.223 -0.119 0.000 2.351 2062 L HA -0.088 4.252 4.340 0.000 0.000 0.220 2062 L C 0.383 177.168 176.870 -0.142 0.000 1.127 2062 L CA 1.326 56.083 54.840 -0.139 0.000 0.786 2062 L CB -0.071 41.921 42.059 -0.112 0.000 0.914 2062 L HN 0.134 nan 8.230 nan 0.000 0.443 2063 E N -0.324 119.808 120.200 -0.113 0.000 3.306 2063 E HA 0.114 4.464 4.350 0.000 0.000 0.197 2063 E C -0.217 176.336 176.600 -0.077 0.000 0.980 2063 E CA -0.103 56.239 56.400 -0.096 0.000 1.259 2063 E CB 0.863 30.518 29.700 -0.073 0.000 1.112 2063 E HN 0.292 nan 8.360 nan 0.000 0.458 2064 T N -3.163 111.334 114.554 -0.094 0.000 2.900 2064 T HA 0.260 4.610 4.350 0.000 0.000 0.303 2064 T C 0.945 175.605 174.700 -0.066 0.000 1.142 2064 T CA -0.811 61.252 62.100 -0.061 0.000 1.007 2064 T CB 1.399 70.235 68.868 -0.054 0.000 1.156 2064 T HN -0.173 nan 8.240 nan 0.000 0.490 2065 M N 1.256 120.858 119.600 0.003 0.000 2.629 2065 M HA -0.033 4.447 4.480 0.000 0.000 0.257 2065 M C 1.247 177.578 176.300 0.052 0.000 1.071 2065 M CA 0.797 56.149 55.300 0.087 0.000 1.077 2065 M CB -1.358 31.305 32.600 0.105 0.000 1.423 2065 M HN 0.714 nan 8.290 nan 0.000 0.508 2066 D N 0.515 120.898 120.400 -0.028 0.000 2.144 2066 D HA -0.122 4.518 4.640 0.000 0.000 0.199 2066 D C 1.963 178.207 176.300 -0.093 0.000 0.984 2066 D CA 0.883 54.859 54.000 -0.041 0.000 0.834 2066 D CB 0.027 40.797 40.800 -0.051 0.000 0.955 2066 D HN 0.391 nan 8.370 nan 0.000 0.465 2067 I N 0.454 120.897 120.570 -0.211 0.000 2.479 2067 I HA -0.321 3.849 4.170 0.000 0.000 0.258 2067 I C 1.260 177.188 176.117 -0.314 0.000 1.165 2067 I CA 1.353 62.463 61.300 -0.318 0.000 1.422 2067 I CB -0.028 37.680 38.000 -0.486 0.000 1.087 2067 I HN 0.072 nan 8.210 nan 0.000 0.441 2068 Y N 0.316 120.570 120.300 -0.076 0.000 2.482 2068 Y HA 0.203 4.753 4.550 0.000 0.000 0.270 2068 Y C 0.742 176.607 175.900 -0.058 0.000 1.152 2068 Y CA -0.370 57.687 58.100 -0.073 0.000 1.292 2068 Y CB 0.191 38.620 38.460 -0.053 0.000 1.070 2068 Y HN -0.051 nan 8.280 nan 0.000 0.528 2069 R N 1.242 121.781 120.500 0.065 0.000 2.255 2069 R HA 0.419 4.759 4.340 0.000 0.000 0.326 2069 R C -1.075 175.218 176.300 -0.012 0.000 0.986 2069 R CA -0.468 55.647 56.100 0.025 0.000 0.847 2069 R CB 1.294 31.603 30.300 0.015 0.000 1.111 2069 R HN 0.096 nan 8.270 nan 0.000 0.452 2070 I N 5.304 125.864 120.570 -0.017 0.000 2.297 2070 I HA 0.212 4.382 4.170 0.000 0.000 0.291 2070 I C -2.073 174.043 176.117 -0.002 0.000 1.033 2070 I CA -2.331 58.958 61.300 -0.018 0.000 1.253 2070 I CB 1.389 39.369 38.000 -0.033 0.000 1.396 2070 I HN 0.227 nan 8.210 nan 0.000 0.476 2071 P HA 0.186 nan 4.420 nan 0.000 0.271 2071 P C -0.751 176.574 177.300 0.042 0.000 1.226 2071 P CA -0.009 63.099 63.100 0.013 0.000 0.765 2071 P CB 1.093 32.799 31.700 0.011 0.000 0.835 2072 V N 3.824 123.782 119.914 0.073 0.000 3.049 2072 V HA 0.553 4.673 4.120 0.000 0.000 0.309 2072 V C -0.928 175.294 176.094 0.214 0.000 1.148 2072 V CA -0.375 62.042 62.300 0.195 0.000 0.990 2072 V CB 2.338 34.284 31.823 0.204 0.000 1.039 2072 V HN 0.684 nan 8.190 nan 0.000 0.430 2073 Q N 2.126 122.094 119.800 0.279 0.000 2.590 2073 Q HA 0.622 4.962 4.340 0.000 0.000 0.295 2073 Q C -0.908 175.169 176.000 0.128 0.000 0.973 2073 Q CA -0.612 55.275 55.803 0.140 0.000 0.768 2073 Q CB 1.814 30.551 28.738 -0.001 0.000 1.479 2073 Q HN 0.668 nan 8.270 nan 0.000 0.419 2074 S N -0.376 115.392 115.700 0.113 0.000 2.589 2074 S HA 0.625 5.095 4.470 0.000 0.000 0.265 2074 S C 0.526 175.195 174.600 0.116 0.000 1.342 2074 S CA 1.173 59.425 58.200 0.087 0.000 1.005 2074 S CB -0.124 63.120 63.200 0.072 0.000 0.909 2074 S HN 1.560 nan 8.310 nan 0.000 0.555 2075 G N 2.194 111.014 108.800 0.035 0.000 2.710 2075 G HA2 -0.181 3.779 3.960 0.000 0.000 0.668 2075 G HA3 -0.181 3.779 3.960 0.000 0.000 0.668 2075 G C -0.638 174.164 174.900 -0.164 0.000 1.320 2075 G CA -0.314 44.769 45.100 -0.029 0.000 0.860 2075 G HN 0.963 nan 8.290 nan 0.000 0.538 2076 N N 0.445 118.950 118.700 -0.324 0.000 2.402 2076 N HA 0.429 5.169 4.740 0.000 0.000 0.252 2076 N C 0.324 175.443 175.510 -0.651 0.000 1.118 2076 N CA 0.067 52.893 53.050 -0.373 0.000 0.945 2076 N CB 0.001 38.340 38.487 -0.246 0.000 1.147 2076 N HN 0.608 nan 8.380 nan 0.000 0.495 2077 H N 1.069 119.977 119.070 -0.270 0.000 2.865 2077 H HA 0.161 4.717 4.556 0.000 0.000 0.247 2077 H C 1.066 176.348 175.328 -0.078 0.000 1.181 2077 H CA -0.301 55.633 56.048 -0.189 0.000 0.975 2077 H CB 0.583 30.206 29.762 -0.232 0.000 1.899 2077 H HN 0.502 nan 8.280 nan 0.000 0.651 2078 Q N 0.902 120.703 119.800 0.002 0.000 2.096 2078 Q HA -0.216 4.124 4.340 0.000 0.000 0.208 2078 Q C 2.234 178.397 176.000 0.272 0.000 0.993 2078 Q CA 2.602 58.506 55.803 0.168 0.000 0.862 2078 Q CB 0.134 28.916 28.738 0.074 0.000 0.915 2078 Q HN 0.554 nan 8.270 nan 0.000 0.416 2079 S N -0.916 114.893 115.700 0.182 0.000 2.399 2079 S HA -0.060 4.410 4.470 0.000 0.000 0.231 2079 S C 1.170 175.929 174.600 0.264 0.000 1.022 2079 S CA 0.582 58.897 58.200 0.193 0.000 0.983 2079 S CB -0.119 63.147 63.200 0.110 0.000 0.803 2079 S HN 0.158 nan 8.310 nan 0.000 0.480 2080 S N 2.109 117.965 115.700 0.260 0.000 2.481 2080 S HA 0.179 4.649 4.470 0.000 0.000 0.276 2080 S C -0.183 174.544 174.600 0.212 0.000 1.247 2080 S CA -0.636 57.705 58.200 0.235 0.000 1.053 2080 S CB 0.329 63.698 63.200 0.281 0.000 0.925 2080 S HN 0.642 nan 8.310 nan 0.000 0.491 2081 Q N 4.251 124.038 119.800 -0.021 0.000 2.327 2081 Q HA 0.236 4.576 4.340 0.000 0.000 0.254 2081 Q C 0.697 176.461 176.000 -0.393 0.000 0.952 2081 Q CA -0.573 54.907 55.803 -0.539 0.000 0.884 2081 Q CB 0.933 29.137 28.738 -0.889 0.000 1.224 2081 Q HN 0.578 nan 8.270 nan 0.000 0.422 2082 V N 4.673 124.258 119.914 -0.549 0.000 2.379 2082 V HA 0.001 4.121 4.120 0.000 0.000 0.245 2082 V C 0.458 176.459 176.094 -0.155 0.000 1.044 2082 V CA 1.762 63.858 62.300 -0.339 0.000 1.036 2082 V CB -0.905 30.656 31.823 -0.438 0.000 0.664 2082 V HN 0.770 nan 8.190 nan 0.000 0.453 2083 F N -2.525 117.217 119.950 -0.347 0.000 2.978 2083 F HA 0.762 5.289 4.527 0.000 0.000 0.324 2083 F C -0.586 175.047 175.800 -0.278 0.000 1.157 2083 F CA -0.606 57.268 58.000 -0.210 0.000 0.879 2083 F CB 0.993 39.949 39.000 -0.073 0.000 1.364 2083 F HN 0.033 nan 8.300 nan 0.000 0.465 2084 G N 0.395 109.326 108.800 0.218 0.000 2.616 2084 G HA2 0.722 4.682 3.960 0.000 0.000 0.294 2084 G HA3 0.722 4.682 3.960 0.000 0.000 0.294 2084 G C -2.238 172.781 174.900 0.199 0.000 1.489 2084 G CA -0.365 44.720 45.100 -0.026 0.000 0.836 2084 G HN 1.626 nan 8.290 nan 0.000 0.527 2085 F N -1.855 118.246 119.950 0.251 0.000 2.744 2085 F HA 0.671 5.198 4.527 0.000 0.000 0.311 2085 F C -0.598 175.354 175.800 0.255 0.000 1.144 2085 F CA -1.508 56.614 58.000 0.204 0.000 0.938 2085 F CB 0.801 39.884 39.000 0.137 0.000 1.292 2085 F HN 0.558 nan 8.300 nan 0.000 0.444 2086 Q N 0.810 120.929 119.800 0.532 0.000 2.354 2086 Q HA 0.534 4.874 4.340 0.000 0.000 0.244 2086 Q C -0.672 175.691 176.000 0.605 0.000 0.969 2086 Q CA -0.882 55.187 55.803 0.443 0.000 0.885 2086 Q CB 2.171 31.099 28.738 0.317 0.000 1.241 2086 Q HN 0.595 nan 8.270 nan 0.000 0.461 2087 V N 3.225 123.420 119.914 0.470 0.000 2.174 2087 V HA 0.064 4.184 4.120 0.000 0.000 0.259 2087 V C -0.383 175.878 176.094 0.278 0.000 1.261 2087 V CA 0.043 62.583 62.300 0.400 0.000 1.137 2087 V CB -0.410 31.632 31.823 0.364 0.000 1.290 2087 V HN 0.671 nan 8.190 nan 0.000 0.486 2088 Q N 4.790 124.740 119.800 0.250 0.000 2.907 2088 Q HA 0.251 4.591 4.340 0.000 0.000 0.262 2088 Q C -1.818 174.191 176.000 0.016 0.000 0.997 2088 Q CA -1.778 54.131 55.803 0.177 0.000 0.797 2088 Q CB 1.764 30.636 28.738 0.223 0.000 1.228 2088 Q HN 0.362 nan 8.270 nan 0.000 0.466 2089 P HA -0.223 nan 4.420 nan 0.000 0.217 2089 P C 0.896 178.055 177.300 -0.235 0.000 1.148 2089 P CA 1.742 64.531 63.100 -0.518 0.000 0.834 2089 P CB 0.286 31.475 31.700 -0.851 0.000 0.783 2090 G N -1.921 106.757 108.800 -0.203 0.000 3.020 2090 G HA2 0.107 4.067 3.960 0.000 0.000 0.217 2090 G HA3 0.107 4.067 3.960 0.000 0.000 0.217 2090 G C 1.191 176.113 174.900 0.036 0.000 1.144 2090 G CA 0.056 45.114 45.100 -0.071 0.000 0.760 2090 G HN 0.221 nan 8.290 nan 0.000 0.548 2091 L N -0.386 120.882 121.223 0.075 0.000 2.515 2091 L HA 0.410 4.750 4.340 0.000 0.000 0.202 2091 L C 0.515 177.457 176.870 0.120 0.000 1.056 2091 L CA 0.267 55.173 54.840 0.110 0.000 0.847 2091 L CB 0.238 42.373 42.059 0.126 0.000 1.131 2091 L HN 0.002 nan 8.230 nan 0.000 0.484 2092 D N -0.387 120.103 120.400 0.150 0.000 2.382 2092 D HA 0.047 4.687 4.640 0.000 0.000 0.245 2092 D C 1.183 177.515 176.300 0.052 0.000 1.120 2092 D CA 0.721 54.795 54.000 0.123 0.000 0.890 2092 D CB 1.967 42.873 40.800 0.177 0.000 1.201 2092 D HN 0.317 nan 8.370 nan 0.000 0.433 2093 G N 2.693 111.498 108.800 0.007 0.000 2.503 2093 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 2093 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 2093 G C 1.676 176.495 174.900 -0.135 0.000 1.131 2093 G CA 0.734 45.808 45.100 -0.042 0.000 0.756 2093 G HN 0.491 nan 8.290 nan 0.000 0.572 2094 V N -0.473 119.292 119.914 -0.248 0.000 2.469 2094 V HA -0.107 4.013 4.120 0.000 0.000 0.251 2094 V C 2.246 177.927 176.094 -0.688 0.000 1.064 2094 V CA 1.722 63.684 62.300 -0.563 0.000 1.066 2094 V CB -0.411 30.881 31.823 -0.885 0.000 0.667 2094 V HN 0.381 nan 8.190 nan 0.000 0.461 2095 F N -0.111 119.740 119.950 -0.164 0.000 2.592 2095 F HA 0.147 4.674 4.527 0.000 0.000 0.280 2095 F C 2.129 177.854 175.800 -0.125 0.000 1.083 2095 F CA 0.272 58.179 58.000 -0.155 0.000 1.365 2095 F CB -0.501 38.405 39.000 -0.157 0.000 1.100 2095 F HN 0.069 nan 8.300 nan 0.000 0.633 2096 K N -0.298 120.133 120.400 0.052 0.000 2.173 2096 K HA -0.213 4.107 4.320 0.000 0.000 0.207 2096 K C 0.913 177.370 176.600 -0.237 0.000 1.046 2096 K CA 2.144 58.396 56.287 -0.058 0.000 0.929 2096 K CB -0.706 31.754 32.500 -0.067 0.000 0.720 2096 K HN 0.312 nan 8.250 nan 0.000 0.453 2097 H N 0.076 119.114 119.070 -0.053 0.000 2.505 2097 H HA 0.206 4.762 4.556 0.000 0.000 0.289 2097 H C -0.058 175.251 175.328 -0.032 0.000 1.052 2097 H CA -0.022 55.966 56.048 -0.101 0.000 1.156 2097 H CB 0.262 29.893 29.762 -0.218 0.000 1.507 2097 H HN 0.144 nan 8.280 nan 0.000 0.548 2098 T N 0.689 115.284 114.554 0.067 0.000 2.788 2098 T HA 0.012 4.362 4.350 0.000 0.000 0.287 2098 T C 1.649 176.364 174.700 0.025 0.000 1.007 2098 T CA -0.488 61.636 62.100 0.040 0.000 1.005 2098 T CB 1.030 69.937 68.868 0.064 0.000 1.012 2098 T HN 0.026 nan 8.240 nan 0.000 0.530 2099 L N 2.087 123.300 121.223 -0.018 0.000 1.989 2099 L HA -0.031 4.309 4.340 0.000 0.000 0.211 2099 L C 2.352 179.203 176.870 -0.031 0.000 1.071 2099 L CA 1.550 56.375 54.840 -0.024 0.000 0.749 2099 L CB -1.147 40.872 42.059 -0.067 0.000 0.890 2099 L HN 0.645 nan 8.230 nan 0.000 0.431 2100 L N -0.616 120.557 121.223 -0.083 0.000 2.042 2100 L HA -0.098 4.242 4.340 0.000 0.000 0.210 2100 L C 2.254 179.072 176.870 -0.088 0.000 1.076 2100 L CA 2.144 56.895 54.840 -0.148 0.000 0.749 2100 L CB -1.218 40.690 42.059 -0.251 0.000 0.893 2100 L HN 0.277 nan 8.230 nan 0.000 0.432 2101 G N -1.371 107.411 108.800 -0.030 0.000 2.404 2101 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 2101 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 2101 G C 1.412 176.364 174.900 0.087 0.000 1.174 2101 G CA 0.514 45.622 45.100 0.012 0.000 0.780 2101 G HN 0.415 nan 8.290 nan 0.000 0.537 2102 E N 0.542 120.822 120.200 0.132 0.000 2.118 2102 E HA -0.088 4.262 4.350 0.000 0.000 0.195 2102 E C 2.611 179.340 176.600 0.216 0.000 0.992 2102 E CA 0.529 57.062 56.400 0.221 0.000 0.804 2102 E CB -0.166 29.668 29.700 0.223 0.000 0.741 2102 E HN 0.418 nan 8.360 nan 0.000 0.458 2103 I N 0.504 121.181 120.570 0.178 0.000 2.202 2103 I HA -0.236 3.934 4.170 0.000 0.000 0.242 2103 I C 2.368 178.659 176.117 0.289 0.000 1.091 2103 I CA 0.698 62.144 61.300 0.243 0.000 1.368 2103 I CB -0.524 37.549 38.000 0.122 0.000 1.058 2103 I HN 0.114 nan 8.210 nan 0.000 0.410 2104 L N 0.985 122.302 121.223 0.155 0.000 2.127 2104 L HA -0.206 4.134 4.340 0.000 0.000 0.211 2104 L C 2.036 179.008 176.870 0.170 0.000 1.089 2104 L CA 1.622 56.562 54.840 0.167 0.000 0.757 2104 L CB -1.074 40.992 42.059 0.011 0.000 0.899 2104 L HN 0.289 nan 8.230 nan 0.000 0.434 2105 N N -1.654 117.066 118.700 0.033 0.000 2.609 2105 N HA -0.160 4.580 4.740 0.000 0.000 0.190 2105 N C 0.763 176.124 175.510 -0.249 0.000 1.157 2105 N CA 0.628 53.559 53.050 -0.197 0.000 0.918 2105 N CB 0.075 38.239 38.487 -0.538 0.000 0.978 2105 N HN 0.396 nan 8.380 nan 0.000 0.448 2106 Y N -0.873 119.420 120.300 -0.011 0.000 2.457 2106 Y HA 0.175 4.725 4.550 0.000 0.000 0.263 2106 Y C -0.265 175.375 175.900 -0.432 0.000 1.164 2106 Y CA -0.015 57.971 58.100 -0.189 0.000 1.274 2106 Y CB 0.208 38.565 38.460 -0.171 0.000 1.097 2106 Y HN -0.071 nan 8.280 nan 0.000 0.523 2107 Y N -2.357 117.993 120.300 0.083 0.000 2.634 2107 Y HA 0.604 5.154 4.550 0.000 0.000 0.340 2107 Y C 0.695 176.617 175.900 0.037 0.000 1.058 2107 Y CA -1.074 57.060 58.100 0.056 0.000 1.081 2107 Y CB 1.316 39.837 38.460 0.102 0.000 1.295 2107 Y HN -0.235 nan 8.280 nan 0.000 0.487 2108 A N -0.660 122.247 122.820 0.145 0.000 2.288 2108 A HA 0.280 4.600 4.320 0.000 0.000 0.216 2108 A C -0.248 177.531 177.584 0.325 0.000 1.199 2108 A CA 0.361 52.461 52.037 0.106 0.000 0.891 2108 A CB -0.195 18.754 19.000 -0.085 0.000 0.923 2108 A HN 0.841 nan 8.150 nan 0.000 0.500 2109 H N -1.164 118.039 119.070 0.222 0.000 2.768 2109 H HA 0.497 5.053 4.556 0.000 0.000 0.371 2109 H C -1.187 174.348 175.328 0.345 0.000 1.151 2109 H CA -1.010 55.161 56.048 0.205 0.000 1.165 2109 H CB 1.650 31.378 29.762 -0.057 0.000 1.722 2109 H HN 0.584 nan 8.280 nan 0.000 0.543 2110 W N 1.401 122.866 121.300 0.275 0.000 3.062 2110 W HA 0.671 5.331 4.660 0.000 0.000 0.336 2110 W C -1.717 174.692 176.519 -0.184 0.000 1.224 2110 W CA -1.164 56.212 57.345 0.051 0.000 1.159 2110 W CB 1.661 31.145 29.460 0.041 0.000 1.454 2110 W HN 0.564 nan 8.180 nan 0.000 0.569 2111 S N 0.892 116.171 115.700 -0.701 0.000 2.542 2111 S HA 0.743 5.213 4.470 0.000 0.000 0.276 2111 S C -0.604 173.015 174.600 -1.635 0.000 1.148 2111 S CA 0.509 57.689 58.200 -1.700 0.000 0.886 2111 S CB 0.967 63.132 63.200 -1.725 0.000 1.109 2111 S HN 1.998 nan 8.310 nan 0.000 0.458 2112 G N 1.965 109.808 108.800 -1.595 0.000 2.351 2112 G HA2 0.299 4.259 3.960 0.000 0.000 0.353 2112 G HA3 0.299 4.259 3.960 0.000 0.000 0.353 2112 G C -1.063 173.909 174.900 0.121 0.000 1.358 2112 G CA -0.393 44.310 45.100 -0.662 0.000 0.995 2112 G HN 0.983 nan 8.290 nan 0.000 0.611 2113 S N -0.774 115.074 115.700 0.247 0.000 2.616 2113 S HA 0.778 5.248 4.470 0.000 0.000 0.277 2113 S C 0.268 175.070 174.600 0.336 0.000 1.234 2113 S CA -0.341 58.033 58.200 0.291 0.000 1.028 2113 S CB 1.035 64.338 63.200 0.171 0.000 0.988 2113 S HN 0.572 nan 8.310 nan 0.000 0.522 2114 I N 1.760 122.458 120.570 0.213 0.000 2.569 2114 I HA 0.408 4.578 4.170 0.000 0.000 0.296 2114 I C -0.337 175.802 176.117 0.037 0.000 1.028 2114 I CA -0.671 60.693 61.300 0.105 0.000 1.082 2114 I CB 1.950 39.988 38.000 0.065 0.000 1.264 2114 I HN 0.337 nan 8.210 nan 0.000 0.429 2115 K N 6.068 126.466 120.400 -0.003 0.000 2.235 2115 K HA 0.631 4.951 4.320 0.000 0.000 0.266 2115 K C -1.272 175.314 176.600 -0.024 0.000 0.980 2115 K CA -0.520 55.763 56.287 -0.007 0.000 0.849 2115 K CB 1.777 34.264 32.500 -0.020 0.000 1.098 2115 K HN 0.434 nan 8.250 nan 0.000 0.445 2116 L N 3.117 124.327 121.223 -0.022 0.000 2.316 2116 L HA 0.315 4.655 4.340 0.000 0.000 0.280 2116 L C -0.448 176.225 176.870 -0.328 0.000 1.006 2116 L CA -0.580 54.176 54.840 -0.141 0.000 0.836 2116 L CB 1.800 43.876 42.059 0.028 0.000 1.221 2116 L HN 0.595 nan 8.230 nan 0.000 0.418 2117 T N 3.143 117.452 114.554 -0.407 0.000 2.767 2117 T HA 0.543 4.893 4.350 0.000 0.000 0.284 2117 T C -0.543 173.716 174.700 -0.735 0.000 0.973 2117 T CA -0.120 61.725 62.100 -0.426 0.000 0.996 2117 T CB 0.544 69.248 68.868 -0.274 0.000 0.927 2117 T HN 0.075 nan 8.240 nan 0.000 0.456 2118 F N 2.098 121.805 119.950 -0.405 0.000 2.458 2118 F HA 0.607 5.134 4.527 0.000 0.000 0.336 2118 F C 0.148 175.698 175.800 -0.416 0.000 1.114 2118 F CA -0.997 56.754 58.000 -0.414 0.000 0.987 2118 F CB 1.560 40.287 39.000 -0.455 0.000 1.130 2118 F HN 0.222 nan 8.300 nan 0.000 0.458 2119 V N 5.445 125.325 119.914 -0.056 0.000 2.540 2119 V HA 0.485 4.605 4.120 0.000 0.000 0.302 2119 V C -1.321 174.984 176.094 0.353 0.000 1.035 2119 V CA -0.876 61.477 62.300 0.087 0.000 0.873 2119 V CB 1.433 33.134 31.823 -0.204 0.000 0.992 2119 V HN 0.587 nan 8.190 nan 0.000 0.428 2120 F N 6.480 126.661 119.950 0.384 0.000 2.420 2120 F HA 0.451 4.978 4.527 0.000 0.000 0.352 2120 F C 0.661 176.544 175.800 0.138 0.000 1.108 2120 F CA -0.169 57.982 58.000 0.252 0.000 1.162 2120 F CB 0.915 40.032 39.000 0.194 0.000 1.118 2120 F HN 0.558 nan 8.300 nan 0.000 0.510 2121 C N 5.552 124.557 119.300 -0.492 0.000 2.638 2121 C HA 0.445 4.905 4.460 0.000 0.000 0.282 2121 C C 1.168 175.937 174.990 -0.369 0.000 1.473 2121 C CA -0.507 58.345 59.018 -0.278 0.000 1.781 2121 C CB -1.277 26.375 27.740 -0.146 0.000 2.780 2121 C HN 1.010 nan 8.230 nan 0.000 0.531 2122 G N 1.186 109.561 108.800 -0.708 0.000 2.525 2122 G HA2 0.459 4.419 3.960 0.000 0.000 0.287 2122 G HA3 0.459 4.419 3.960 0.000 0.000 0.287 2122 G C 0.283 175.226 174.900 0.072 0.000 1.350 2122 G CA 0.106 45.045 45.100 -0.268 0.000 1.039 2122 G HN 0.547 nan 8.290 nan 0.000 0.513 2123 S N -1.294 114.482 115.700 0.127 0.000 2.589 2123 S HA 0.394 4.864 4.470 0.000 0.000 0.265 2123 S C 1.609 176.312 174.600 0.172 0.000 1.342 2123 S CA 0.320 58.592 58.200 0.120 0.000 1.005 2123 S CB 1.294 64.547 63.200 0.090 0.000 0.909 2123 S HN 1.280 nan 8.310 nan 0.000 0.555 2124 A N 1.378 124.269 122.820 0.119 0.000 2.015 2124 A HA 0.030 4.350 4.320 0.000 0.000 0.219 2124 A C 2.033 179.666 177.584 0.082 0.000 1.163 2124 A CA 0.947 53.048 52.037 0.107 0.000 0.646 2124 A CB -0.670 18.376 19.000 0.076 0.000 0.806 2124 A HN 0.789 nan 8.150 nan 0.000 0.448 2125 M N -0.122 119.522 119.600 0.073 0.000 2.619 2125 M HA 0.175 4.655 4.480 0.000 0.000 0.251 2125 M C 1.126 177.456 176.300 0.051 0.000 1.106 2125 M CA 0.176 55.506 55.300 0.050 0.000 1.086 2125 M CB -1.538 31.087 32.600 0.042 0.000 1.465 2125 M HN 0.387 nan 8.290 nan 0.000 0.506 2126 A N 0.340 123.218 122.820 0.096 0.000 2.351 2126 A HA 0.472 4.792 4.320 0.000 0.000 0.257 2126 A C 0.282 177.847 177.584 -0.032 0.000 1.087 2126 A CA 0.131 52.229 52.037 0.102 0.000 0.798 2126 A CB 0.426 19.604 19.000 0.297 0.000 1.033 2126 A HN 0.278 nan 8.150 nan 0.000 0.488 2127 T N -0.945 113.552 114.554 -0.094 0.000 2.883 2127 T HA 0.754 5.104 4.350 0.000 0.000 0.301 2127 T C -0.303 174.228 174.700 -0.281 0.000 1.158 2127 T CA 0.326 62.304 62.100 -0.204 0.000 1.007 2127 T CB 1.848 70.642 68.868 -0.124 0.000 1.186 2127 T HN 2.131 nan 8.240 nan 0.000 0.499 2128 G N 1.852 110.426 108.800 -0.376 0.000 2.358 2128 G HA2 0.436 4.396 3.960 0.000 0.000 0.303 2128 G HA3 0.436 4.396 3.960 0.000 0.000 0.303 2128 G C -2.313 172.234 174.900 -0.587 0.000 1.537 2128 G CA -0.846 43.974 45.100 -0.467 0.000 0.928 2128 G HN 0.672 nan 8.290 nan 0.000 0.656 2129 K N 0.098 120.140 120.400 -0.597 0.000 2.397 2129 K HA 0.704 5.024 4.320 0.000 0.000 0.253 2129 K C -1.368 174.879 176.600 -0.588 0.000 0.932 2129 K CA -0.588 55.423 56.287 -0.459 0.000 0.795 2129 K CB 2.173 34.555 32.500 -0.196 0.000 1.159 2129 K HN 0.292 nan 8.250 nan 0.000 0.424 2130 F N 1.470 121.385 119.950 -0.058 0.000 2.556 2130 F HA 0.526 5.053 4.527 0.000 0.000 0.327 2130 F C -0.295 175.573 175.800 0.113 0.000 1.059 2130 F CA -1.102 56.905 58.000 0.013 0.000 0.953 2130 F CB 1.308 40.307 39.000 -0.002 0.000 1.227 2130 F HN 0.222 nan 8.300 nan 0.000 0.478 2131 L N 3.102 124.515 121.223 0.317 0.000 2.319 2131 L HA 0.580 4.920 4.340 0.000 0.000 0.281 2131 L C -1.581 175.419 176.870 0.216 0.000 1.005 2131 L CA -0.452 54.541 54.840 0.256 0.000 0.828 2131 L CB 0.927 43.095 42.059 0.182 0.000 1.227 2131 L HN 0.520 nan 8.230 nan 0.000 0.415 2132 L N 5.732 127.063 121.223 0.181 0.000 2.280 2132 L HA 0.725 5.065 4.340 0.000 0.000 0.287 2132 L C -0.113 176.861 176.870 0.173 0.000 1.023 2132 L CA -0.245 54.633 54.840 0.064 0.000 0.819 2132 L CB 1.536 43.597 42.059 0.004 0.000 1.212 2132 L HN 0.706 nan 8.230 nan 0.000 0.420 2133 A N 3.404 126.316 122.820 0.153 0.000 2.365 2133 A HA 0.681 5.001 4.320 0.000 0.000 0.318 2133 A C -1.786 175.933 177.584 0.225 0.000 1.091 2133 A CA -0.429 51.730 52.037 0.204 0.000 0.763 2133 A CB 1.377 20.460 19.000 0.137 0.000 1.248 2133 A HN 0.571 nan 8.150 nan 0.000 0.442 2134 Y N 1.672 122.040 120.300 0.114 0.000 2.350 2134 Y HA 0.642 5.192 4.550 0.000 0.000 0.338 2134 Y C -0.302 175.645 175.900 0.077 0.000 0.961 2134 Y CA -1.167 56.991 58.100 0.098 0.000 1.100 2134 Y CB 1.526 40.057 38.460 0.118 0.000 1.179 2134 Y HN 0.912 nan 8.280 nan 0.000 0.454 2135 A N 8.502 130.993 122.820 -0.548 0.000 2.273 2135 A HA 0.714 5.034 4.320 0.000 0.000 0.315 2135 A C -2.943 174.181 177.584 -0.765 0.000 1.256 2135 A CA -1.988 49.730 52.037 -0.531 0.000 0.851 2135 A CB 0.488 19.363 19.000 -0.209 0.000 1.172 2135 A HN 0.619 nan 8.150 nan 0.000 0.508 2136 P HA 0.228 nan 4.420 nan 0.000 0.272 2136 P C -2.202 174.970 177.300 -0.214 0.000 1.230 2136 P CA -0.774 62.074 63.100 -0.420 0.000 0.788 2136 P CB 0.066 31.613 31.700 -0.254 0.000 0.949 2137 P HA 0.003 nan 4.420 nan 0.000 0.272 2137 P C 0.670 177.926 177.300 -0.074 0.000 1.248 2137 P CA 0.634 63.690 63.100 -0.073 0.000 0.799 2137 P CB 0.132 31.797 31.700 -0.057 0.000 0.997 2138 G N -1.751 107.021 108.800 -0.046 0.000 2.284 2138 G HA2 0.103 4.063 3.960 0.000 0.000 0.201 2138 G HA3 0.103 4.063 3.960 0.000 0.000 0.201 2138 G C 0.023 174.906 174.900 -0.028 0.000 0.998 2138 G CA 0.257 45.333 45.100 -0.039 0.000 0.651 2138 G HN 0.917 nan 8.290 nan 0.000 0.489 2139 A N -0.482 122.321 122.820 -0.028 0.000 2.564 2139 A HA 0.788 5.108 4.320 0.000 0.000 0.288 2139 A C -0.373 177.207 177.584 -0.006 0.000 1.164 2139 A CA -0.500 51.525 52.037 -0.019 0.000 0.712 2139 A CB 0.803 19.785 19.000 -0.031 0.000 1.303 2139 A HN 0.218 nan 8.150 nan 0.000 0.418 2140 N N 0.319 119.022 118.700 0.004 0.000 2.408 2140 N HA 0.453 5.193 4.740 0.000 0.000 0.260 2140 N C 0.313 175.836 175.510 0.022 0.000 1.242 2140 N CA 0.305 53.366 53.050 0.020 0.000 0.959 2140 N CB 1.138 39.641 38.487 0.025 0.000 1.201 2140 N HN 0.898 nan 8.380 nan 0.000 0.511 2141 A N 1.933 124.779 122.820 0.043 0.000 2.567 2141 A HA 0.108 4.428 4.320 0.000 0.000 0.240 2141 A C -1.837 175.790 177.584 0.071 0.000 1.053 2141 A CA -0.665 51.408 52.037 0.060 0.000 0.755 2141 A CB -0.636 18.410 19.000 0.078 0.000 0.978 2141 A HN 0.421 nan 8.150 nan 0.000 0.507 2142 P HA 0.064 nan 4.420 nan 0.000 0.264 2142 P C -0.283 177.112 177.300 0.158 0.000 1.183 2142 P CA 0.247 63.383 63.100 0.061 0.000 0.763 2142 P CB 0.596 32.311 31.700 0.025 0.000 0.807 2143 K N 0.572 121.020 120.400 0.080 0.000 2.358 2143 K HA 0.160 4.480 4.320 0.000 0.000 0.197 2143 K C 0.490 177.161 176.600 0.117 0.000 1.025 2143 K CA 0.107 56.486 56.287 0.152 0.000 1.104 2143 K CB 0.293 32.841 32.500 0.081 0.000 0.855 2143 K HN 0.635 nan 8.250 nan 0.000 0.531 2144 S N -2.327 113.246 115.700 -0.212 0.000 2.596 2144 S HA 0.349 4.819 4.470 0.000 0.000 0.270 2144 S C 0.357 174.224 174.600 -1.222 0.000 1.155 2144 S CA -1.028 56.860 58.200 -0.521 0.000 0.827 2144 S CB 1.701 64.744 63.200 -0.261 0.000 1.130 2144 S HN 0.050 nan 8.310 nan 0.000 0.467 2145 R N 0.714 120.484 120.500 -1.216 0.000 2.096 2145 R HA -0.081 4.259 4.340 0.000 0.000 0.235 2145 R C 2.001 177.884 176.300 -0.696 0.000 1.127 2145 R CA 1.744 57.105 56.100 -1.232 0.000 0.968 2145 R CB -0.428 29.508 30.300 -0.607 0.000 0.861 2145 R HN 0.701 nan 8.270 nan 0.000 0.440 2146 K N 0.931 121.061 120.400 -0.449 0.000 2.020 2146 K HA -0.181 4.139 4.320 0.000 0.000 0.212 2146 K C 1.397 177.823 176.600 -0.290 0.000 1.050 2146 K CA 2.337 58.449 56.287 -0.292 0.000 0.929 2146 K CB -0.226 32.154 32.500 -0.199 0.000 0.714 2146 K HN 0.168 nan 8.250 nan 0.000 0.443 2147 D N -0.339 119.879 120.400 -0.303 0.000 2.178 2147 D HA -0.074 4.566 4.640 0.000 0.000 0.202 2147 D C 1.688 177.841 176.300 -0.244 0.000 0.974 2147 D CA 1.352 55.215 54.000 -0.228 0.000 0.841 2147 D CB -0.215 40.480 40.800 -0.176 0.000 0.953 2147 D HN 0.387 nan 8.370 nan 0.000 0.478 2148 A N 1.089 123.680 122.820 -0.381 0.000 1.929 2148 A HA -0.112 4.208 4.320 0.000 0.000 0.216 2148 A C 2.054 179.456 177.584 -0.303 0.000 1.176 2148 A CA 1.437 53.296 52.037 -0.297 0.000 0.628 2148 A CB -0.535 18.236 19.000 -0.382 0.000 0.816 2148 A HN 0.300 nan 8.150 nan 0.000 0.444 2149 M N -0.818 118.530 119.600 -0.419 0.000 2.686 2149 M HA 0.212 4.692 4.480 0.000 0.000 0.246 2149 M C 1.012 177.142 176.300 -0.284 0.000 1.096 2149 M CA 1.341 56.303 55.300 -0.564 0.000 1.076 2149 M CB -0.799 31.478 32.600 -0.539 0.000 1.504 2149 M HN 0.161 nan 8.290 nan 0.000 0.524 2150 L N 0.148 121.275 121.223 -0.160 0.000 2.492 2150 L HA 0.271 4.611 4.340 0.000 0.000 0.223 2150 L C 1.519 178.385 176.870 -0.006 0.000 1.132 2150 L CA 0.018 54.822 54.840 -0.060 0.000 0.850 2150 L CB -0.825 41.189 42.059 -0.074 0.000 0.966 2150 L HN 0.570 nan 8.230 nan 0.000 0.454 2151 G N -0.924 107.876 108.800 0.001 0.000 2.702 2151 G HA2 0.291 4.251 3.960 0.000 0.000 0.254 2151 G HA3 0.291 4.251 3.960 0.000 0.000 0.254 2151 G C -0.530 174.482 174.900 0.187 0.000 1.380 2151 G CA -0.312 44.808 45.100 0.033 0.000 1.042 2151 G HN -0.128 nan 8.290 nan 0.000 0.557 2152 T N 1.282 115.927 114.554 0.152 0.000 2.870 2152 T HA 0.437 4.787 4.350 0.000 0.000 0.300 2152 T C -0.162 174.721 174.700 0.304 0.000 0.989 2152 T CA 0.431 62.657 62.100 0.211 0.000 1.139 2152 T CB -0.078 68.952 68.868 0.270 0.000 0.920 2152 T HN 0.723 nan 8.240 nan 0.000 0.537 2153 H N 1.039 120.172 119.070 0.104 0.000 3.037 2153 H HA 0.534 5.090 4.556 0.000 0.000 0.336 2153 H C -1.653 173.733 175.328 0.097 0.000 1.323 2153 H CA -1.162 54.950 56.048 0.106 0.000 1.159 2153 H CB 0.660 30.471 29.762 0.082 0.000 1.882 2153 H HN 0.509 nan 8.280 nan 0.000 0.535 2154 I N 0.982 121.668 120.570 0.194 0.000 2.785 2154 I HA 0.494 4.664 4.170 0.000 0.000 0.302 2154 I C -0.223 176.042 176.117 0.245 0.000 1.069 2154 I CA -1.280 60.100 61.300 0.133 0.000 1.045 2154 I CB 2.662 40.737 38.000 0.124 0.000 1.236 2154 I HN 0.373 nan 8.210 nan 0.000 0.429 2155 I N 3.072 123.776 120.570 0.223 0.000 2.355 2155 I HA 0.212 4.382 4.170 0.000 0.000 0.288 2155 I C -1.266 175.030 176.117 0.298 0.000 0.999 2155 I CA -0.271 61.180 61.300 0.251 0.000 1.163 2155 I CB 1.701 39.813 38.000 0.187 0.000 1.316 2155 I HN 0.614 nan 8.210 nan 0.000 0.454 2156 W N 8.058 129.429 121.300 0.119 0.000 2.335 2156 W HA 0.350 5.010 4.660 0.000 0.000 0.307 2156 W C -0.709 175.864 176.519 0.089 0.000 1.117 2156 W CA -0.950 56.468 57.345 0.121 0.000 1.228 2156 W CB 0.894 30.457 29.460 0.172 0.000 1.240 2156 W HN 0.373 nan 8.180 nan 0.000 0.468 2157 D N 4.918 125.479 120.400 0.268 0.000 2.329 2157 D HA 0.278 4.918 4.640 0.000 0.000 0.232 2157 D C -0.760 175.445 176.300 -0.158 0.000 1.088 2157 D CA -0.286 53.691 54.000 -0.038 0.000 0.835 2157 D CB 1.391 42.207 40.800 0.026 0.000 1.078 2157 D HN 0.083 nan 8.370 nan 0.000 0.495 2158 V N 3.572 123.199 119.914 -0.479 0.000 2.585 2158 V HA 0.599 4.719 4.120 0.000 0.000 0.296 2158 V C 1.288 177.259 176.094 -0.206 0.000 1.035 2158 V CA 0.734 62.744 62.300 -0.483 0.000 1.084 2158 V CB 0.680 31.963 31.823 -0.901 0.000 0.953 2158 V HN 0.753 nan 8.190 nan 0.000 0.483 2159 G N 2.581 111.348 108.800 -0.055 0.000 2.677 2159 G HA2 0.375 4.335 3.960 0.000 0.000 0.283 2159 G HA3 0.375 4.335 3.960 0.000 0.000 0.283 2159 G C -0.067 174.867 174.900 0.056 0.000 1.221 2159 G CA -0.180 44.918 45.100 -0.002 0.000 0.851 2159 G HN 0.580 nan 8.290 nan 0.000 0.504 2160 L N -0.230 121.030 121.223 0.061 0.000 2.131 2160 L HA 0.195 4.535 4.340 0.000 0.000 0.210 2160 L C 0.958 177.887 176.870 0.099 0.000 1.092 2160 L CA 1.591 56.475 54.840 0.073 0.000 0.759 2160 L CB -0.471 41.621 42.059 0.056 0.000 0.903 2160 L HN 0.301 nan 8.230 nan 0.000 0.435 2161 Q N 0.205 120.073 119.800 0.114 0.000 2.381 2161 Q HA 0.115 4.455 4.340 0.000 0.000 0.243 2161 Q C 1.578 177.705 176.000 0.211 0.000 1.154 2161 Q CA 0.680 56.564 55.803 0.134 0.000 0.899 2161 Q CB 0.554 29.369 28.738 0.129 0.000 1.396 2161 Q HN 0.555 nan 8.270 nan 0.000 0.485 2162 S N 0.345 116.167 115.700 0.202 0.000 2.447 2162 S HA -0.012 4.458 4.470 0.000 0.000 0.233 2162 S C 0.695 175.523 174.600 0.381 0.000 1.006 2162 S CA 0.237 58.613 58.200 0.293 0.000 0.957 2162 S CB 0.324 63.654 63.200 0.216 0.000 0.773 2162 S HN 0.302 nan 8.310 nan 0.000 0.507 2163 S N -0.026 115.794 115.700 0.199 0.000 2.578 2163 S HA 0.682 5.152 4.470 0.000 0.000 0.301 2163 S C -0.739 173.761 174.600 -0.165 0.000 1.091 2163 S CA -0.777 57.430 58.200 0.012 0.000 1.032 2163 S CB 1.637 64.785 63.200 -0.088 0.000 1.064 2163 S HN 0.524 nan 8.310 nan 0.000 0.508 2164 C N 2.471 121.443 119.300 -0.546 0.000 2.609 2164 C HA 0.737 5.197 4.460 0.000 0.000 0.313 2164 C C -0.964 173.826 174.990 -0.332 0.000 1.175 2164 C CA -0.305 58.355 59.018 -0.597 0.000 1.434 2164 C CB 0.404 27.320 27.740 -1.373 0.000 2.005 2164 C HN 0.699 nan 8.230 nan 0.000 0.471 2165 V N 6.339 126.160 119.914 -0.155 0.000 2.347 2165 V HA 0.424 4.544 4.120 0.000 0.000 0.280 2165 V C -0.181 175.932 176.094 0.032 0.000 1.021 2165 V CA -0.399 61.867 62.300 -0.056 0.000 0.847 2165 V CB 1.236 33.033 31.823 -0.043 0.000 0.990 2165 V HN 0.734 nan 8.190 nan 0.000 0.444 2166 L N 6.390 127.690 121.223 0.129 0.000 2.265 2166 L HA 0.587 4.927 4.340 0.000 0.000 0.289 2166 L C -0.294 176.649 176.870 0.121 0.000 1.033 2166 L CA 0.241 55.187 54.840 0.178 0.000 0.814 2166 L CB 0.942 43.207 42.059 0.343 0.000 1.203 2166 L HN 0.788 nan 8.230 nan 0.000 0.423 2167 C N 6.693 126.041 119.300 0.080 0.000 2.295 2167 C HA 0.533 4.993 4.460 0.000 0.000 0.331 2167 C C 0.333 175.336 174.990 0.023 0.000 1.280 2167 C CA -0.888 58.160 59.018 0.049 0.000 1.746 2167 C CB -0.392 27.373 27.740 0.042 0.000 2.328 2167 C HN 0.776 nan 8.230 nan 0.000 0.521 2168 I N 9.280 129.829 120.570 -0.034 0.000 2.282 2168 I HA 0.252 4.422 4.170 0.000 0.000 0.290 2168 I C -1.690 174.374 176.117 -0.088 0.000 1.090 2168 I CA -1.383 59.785 61.300 -0.220 0.000 1.231 2168 I CB 0.672 38.460 38.000 -0.354 0.000 1.434 2168 I HN 0.548 nan 8.210 nan 0.000 0.487 2169 P HA -0.131 nan 4.420 nan 0.000 0.269 2169 P C -0.526 176.846 177.300 0.121 0.000 1.209 2169 P CA -0.276 62.873 63.100 0.082 0.000 0.776 2169 P CB 0.817 32.570 31.700 0.088 0.000 0.876 2170 W N 5.682 126.961 121.300 -0.035 0.000 2.529 2170 W HA 0.299 4.959 4.660 0.000 0.000 0.319 2170 W C -1.408 175.072 176.519 -0.065 0.000 1.362 2170 W CA -0.141 57.160 57.345 -0.073 0.000 1.348 2170 W CB -0.004 29.370 29.460 -0.143 0.000 1.403 2170 W HN 0.238 nan 8.180 nan 0.000 0.519 2171 I N 6.895 127.174 120.570 -0.485 0.000 2.439 2171 I HA 0.171 4.341 4.170 0.000 0.000 0.283 2171 I C -0.206 175.498 176.117 -0.689 0.000 1.023 2171 I CA -0.291 60.761 61.300 -0.413 0.000 1.100 2171 I CB 1.639 39.562 38.000 -0.128 0.000 1.238 2171 I HN 0.253 nan 8.210 nan 0.000 0.445 2172 S N 4.669 119.926 115.700 -0.738 0.000 2.547 2172 S HA 0.206 4.676 4.470 0.000 0.000 0.270 2172 S C 0.457 174.832 174.600 -0.376 0.000 1.150 2172 S CA -0.621 57.172 58.200 -0.678 0.000 0.850 2172 S CB 2.010 64.523 63.200 -1.145 0.000 1.118 2172 S HN 0.675 nan 8.310 nan 0.000 0.461 2173 Q N 1.900 121.524 119.800 -0.295 0.000 2.123 2173 Q HA 0.013 4.353 4.340 0.000 0.000 0.199 2173 Q C 0.782 176.729 176.000 -0.089 0.000 0.966 2173 Q CA 1.646 57.346 55.803 -0.171 0.000 0.845 2173 Q CB -1.079 27.561 28.738 -0.164 0.000 0.907 2173 Q HN 0.794 nan 8.270 nan 0.000 0.439 2174 T N -2.265 112.230 114.554 -0.098 0.000 2.934 2174 T HA 0.280 4.630 4.350 0.000 0.000 0.283 2174 T C 0.797 175.594 174.700 0.163 0.000 1.005 2174 T CA -0.637 61.500 62.100 0.062 0.000 1.041 2174 T CB 1.036 69.938 68.868 0.058 0.000 1.042 2174 T HN 0.199 nan 8.240 nan 0.000 0.505 2175 H N 0.035 119.145 119.070 0.067 0.000 2.491 2175 H HA 0.080 4.636 4.556 0.000 0.000 0.290 2175 H C -0.307 174.812 175.328 -0.349 0.000 1.050 2175 H CA 1.003 57.008 56.048 -0.070 0.000 1.309 2175 H CB 0.176 29.844 29.762 -0.157 0.000 1.392 2175 H HN 0.545 nan 8.280 nan 0.000 0.554 2176 Y N -0.636 119.731 120.300 0.111 0.000 2.581 2176 Y HA 0.430 4.981 4.550 0.000 0.000 0.345 2176 Y C -0.013 175.796 175.900 -0.151 0.000 1.036 2176 Y CA -0.976 57.053 58.100 -0.117 0.000 1.042 2176 Y CB 1.820 40.137 38.460 -0.239 0.000 1.289 2176 Y HN -0.237 nan 8.280 nan 0.000 0.471 2177 R N 1.028 121.418 120.500 -0.184 0.000 2.807 2177 R HA 0.544 4.884 4.340 0.000 0.000 0.276 2177 R C -1.560 174.714 176.300 -0.043 0.000 0.979 2177 R CA -1.158 54.801 56.100 -0.235 0.000 0.928 2177 R CB 1.504 31.498 30.300 -0.509 0.000 1.191 2177 R HN 0.366 nan 8.270 nan 0.000 0.471 2178 L N 2.575 123.896 121.223 0.164 0.000 2.426 2178 L HA 0.008 4.348 4.340 0.000 0.000 0.271 2178 L C 1.672 178.854 176.870 0.520 0.000 1.169 2178 L CA 0.517 55.553 54.840 0.327 0.000 0.836 2178 L CB 1.094 43.307 42.059 0.258 0.000 1.112 2178 L HN 0.671 nan 8.230 nan 0.000 0.465 2179 V N 2.751 122.979 119.914 0.525 0.000 2.548 2179 V HA -0.143 3.977 4.120 0.000 0.000 0.249 2179 V C 1.316 177.563 176.094 0.256 0.000 1.055 2179 V CA 1.012 63.565 62.300 0.421 0.000 1.065 2179 V CB -0.463 31.517 31.823 0.261 0.000 0.681 2179 V HN 0.927 nan 8.190 nan 0.000 0.462 2180 Q N 1.444 121.374 119.800 0.218 0.000 3.184 2180 Q HA 0.223 4.563 4.340 0.000 0.000 0.288 2180 Q C 0.372 176.487 176.000 0.193 0.000 1.412 2180 Q CA 0.112 56.008 55.803 0.155 0.000 0.991 2180 Q CB -0.663 28.142 28.738 0.111 0.000 1.688 2180 Q HN 0.785 nan 8.270 nan 0.000 0.554 2181 Q N 1.950 121.891 119.800 0.235 0.000 2.333 2181 Q HA 0.001 4.341 4.340 0.000 0.000 0.299 2181 Q C -0.524 175.584 176.000 0.180 0.000 1.067 2181 Q CA 0.859 56.806 55.803 0.240 0.000 0.943 2181 Q CB 0.572 29.478 28.738 0.281 0.000 1.233 2181 Q HN 0.716 nan 8.270 nan 0.000 0.401 2182 D N 0.249 120.752 120.400 0.171 0.000 2.654 2182 D HA 0.094 4.734 4.640 0.000 0.000 0.255 2182 D C 0.232 176.617 176.300 0.141 0.000 1.101 2182 D CA -0.618 53.471 54.000 0.149 0.000 1.116 2182 D CB 0.398 41.289 40.800 0.152 0.000 1.348 2182 D HN 0.379 nan 8.370 nan 0.000 0.609 2183 E N -1.034 119.245 120.200 0.131 0.000 2.106 2183 E HA -0.168 4.182 4.350 0.000 0.000 0.192 2183 E C 1.629 178.295 176.600 0.110 0.000 0.984 2183 E CA 1.028 57.494 56.400 0.109 0.000 0.806 2183 E CB -0.561 29.198 29.700 0.099 0.000 0.750 2183 E HN 0.523 nan 8.360 nan 0.000 0.458 2184 Y N 0.766 121.085 120.300 0.033 0.000 2.256 2184 Y HA -0.159 4.391 4.550 0.000 0.000 0.288 2184 Y C 1.452 177.355 175.900 0.006 0.000 1.155 2184 Y CA 1.959 60.069 58.100 0.016 0.000 1.203 2184 Y CB -0.182 38.288 38.460 0.017 0.000 0.980 2184 Y HN 0.110 nan 8.280 nan 0.000 0.530 2185 T N -1.958 112.573 114.554 -0.039 0.000 3.258 2185 T HA 0.257 4.607 4.350 0.000 0.000 0.259 2185 T C 0.371 175.045 174.700 -0.043 0.000 0.963 2185 T CA 0.045 62.072 62.100 -0.121 0.000 0.919 2185 T CB -0.359 68.512 68.868 0.004 0.000 1.110 2185 T HN 0.183 nan 8.240 nan 0.000 0.550 2186 S N 0.632 116.308 115.700 -0.041 0.000 2.563 2186 S HA 0.479 4.949 4.470 0.000 0.000 0.284 2186 S C 1.185 175.786 174.600 0.002 0.000 1.331 2186 S CA 0.080 58.294 58.200 0.023 0.000 1.047 2186 S CB 0.285 63.492 63.200 0.012 0.000 0.859 2186 S HN 0.727 nan 8.310 nan 0.000 0.514 2187 A N 3.063 125.945 122.820 0.104 0.000 2.508 2187 A HA 0.646 4.966 4.320 0.000 0.000 0.250 2187 A C 1.020 178.741 177.584 0.228 0.000 1.208 2187 A CA 0.517 52.632 52.037 0.129 0.000 0.960 2187 A CB -0.659 18.494 19.000 0.255 0.000 1.099 2187 A HN 1.974 nan 8.150 nan 0.000 0.542 2188 G N 0.392 109.292 108.800 0.166 0.000 2.627 2188 G HA2 -0.120 3.840 3.960 0.000 0.000 0.214 2188 G HA3 -0.120 3.840 3.960 0.000 0.000 0.214 2188 G C -0.631 174.419 174.900 0.249 0.000 1.331 2188 G CA -0.253 44.931 45.100 0.141 0.000 0.891 2188 G HN 1.252 nan 8.290 nan 0.000 0.539 2189 N N -1.854 116.965 118.700 0.198 0.000 2.455 2189 N HA 0.683 5.423 4.740 0.000 0.000 0.278 2189 N C -0.910 174.741 175.510 0.235 0.000 1.291 2189 N CA -0.244 52.944 53.050 0.231 0.000 0.780 2189 N CB 2.743 41.309 38.487 0.131 0.000 1.520 2189 N HN 1.725 nan 8.380 nan 0.000 0.486 2190 V N -1.321 118.646 119.914 0.090 0.000 2.656 2190 V HA 0.819 4.939 4.120 0.000 0.000 0.307 2190 V C -0.376 175.571 176.094 -0.244 0.000 1.051 2190 V CA -0.129 62.179 62.300 0.013 0.000 0.893 2190 V CB 1.152 33.033 31.823 0.096 0.000 0.999 2190 V HN 1.048 nan 8.190 nan 0.000 0.426 2191 T N 2.370 116.806 114.554 -0.196 0.000 2.906 2191 T HA 0.712 5.062 4.350 0.000 0.000 0.295 2191 T C -0.666 173.652 174.700 -0.637 0.000 1.075 2191 T CA -0.535 61.308 62.100 -0.429 0.000 1.005 2191 T CB 1.362 70.175 68.868 -0.091 0.000 1.136 2191 T HN 1.515 nan 8.240 nan 0.000 0.498 2192 C N 2.183 120.730 119.300 -1.255 0.000 2.626 2192 C HA 0.933 5.393 4.460 0.000 0.000 0.310 2192 C C -1.977 172.313 174.990 -1.166 0.000 1.191 2192 C CA -0.623 57.747 59.018 -1.079 0.000 1.517 2192 C CB -0.156 26.660 27.740 -1.541 0.000 2.102 2192 C HN 0.920 nan 8.230 nan 0.000 0.479 2193 W N 2.741 123.904 121.300 -0.227 0.000 3.033 2193 W HA 0.519 5.179 4.660 0.000 0.000 0.336 2193 W C -1.112 175.409 176.519 0.005 0.000 1.173 2193 W CA -0.780 56.503 57.345 -0.103 0.000 1.185 2193 W CB 0.362 29.791 29.460 -0.052 0.000 1.425 2193 W HN 0.609 nan 8.180 nan 0.000 0.536 2194 Y N 1.837 122.328 120.300 0.318 0.000 2.544 2194 Y HA 0.039 4.589 4.550 0.000 0.000 0.330 2194 Y C 1.674 177.622 175.900 0.080 0.000 1.136 2194 Y CA 0.419 58.604 58.100 0.143 0.000 1.417 2194 Y CB 0.883 39.397 38.460 0.089 0.000 1.229 2194 Y HN 0.483 nan 8.280 nan 0.000 0.532 2195 Q N 1.402 121.260 119.800 0.096 0.000 2.376 2195 Q HA 0.037 4.377 4.340 0.000 0.000 0.206 2195 Q C 0.286 176.290 176.000 0.007 0.000 0.921 2195 Q CA 0.912 56.747 55.803 0.053 0.000 0.911 2195 Q CB 0.696 29.450 28.738 0.025 0.000 1.032 2195 Q HN 0.664 nan 8.270 nan 0.000 0.510 2196 T N 0.110 114.642 114.554 -0.036 0.000 3.901 2196 T HA 0.428 4.778 4.350 0.000 0.000 0.222 2196 T C -0.162 174.477 174.700 -0.102 0.000 0.853 2196 T CA 0.120 62.181 62.100 -0.065 0.000 1.576 2196 T CB -0.884 67.928 68.868 -0.092 0.000 0.787 2196 T HN 0.528 nan 8.240 nan 0.000 0.612 2197 G N 2.650 111.407 108.800 -0.071 0.000 3.205 2197 G HA2 -0.175 3.785 3.960 0.000 0.000 0.909 2197 G HA3 -0.175 3.785 3.960 0.000 0.000 0.909 2197 G C -0.058 174.766 174.900 -0.127 0.000 1.406 2197 G CA -0.136 44.886 45.100 -0.130 0.000 1.077 2197 G HN 0.822 nan 8.290 nan 0.000 0.529 2198 I N 0.676 121.210 120.570 -0.059 0.000 2.304 2198 I HA 0.251 4.421 4.170 0.000 0.000 0.291 2198 I C 0.424 176.533 176.117 -0.013 0.000 1.018 2198 I CA -0.528 60.766 61.300 -0.011 0.000 1.260 2198 I CB 1.165 39.258 38.000 0.156 0.000 1.390 2198 I HN 0.168 nan 8.210 nan 0.000 0.475 2199 V N 7.541 127.431 119.914 -0.040 0.000 2.612 2199 V HA 0.543 4.663 4.120 0.000 0.000 0.301 2199 V C -0.083 176.010 176.094 -0.002 0.000 1.046 2199 V CA -0.609 61.675 62.300 -0.026 0.000 0.946 2199 V CB 2.460 34.255 31.823 -0.046 0.000 1.003 2199 V HN 0.456 nan 8.190 nan 0.000 0.459 2200 V N 4.849 124.769 119.914 0.010 0.000 3.012 2200 V HA 0.613 4.733 4.120 0.000 0.000 0.307 2200 V C -2.236 173.868 176.094 0.017 0.000 1.166 2200 V CA -1.149 61.166 62.300 0.025 0.000 0.974 2200 V CB 3.036 34.889 31.823 0.050 0.000 1.040 2200 V HN 0.946 nan 8.190 nan 0.000 0.428 2201 P HA 0.531 nan 4.420 nan 0.000 0.279 2201 P C -0.690 176.620 177.300 0.017 0.000 1.276 2201 P CA -0.364 62.744 63.100 0.013 0.000 0.801 2201 P CB 1.223 32.931 31.700 0.013 0.000 1.127 2202 A N -0.699 122.129 122.820 0.013 0.000 2.425 2202 A HA 0.466 4.786 4.320 0.000 0.000 0.242 2202 A C 1.263 178.857 177.584 0.016 0.000 1.077 2202 A CA 0.506 52.551 52.037 0.013 0.000 0.781 2202 A CB -1.140 17.866 19.000 0.010 0.000 1.020 2202 A HN 0.993 nan 8.150 nan 0.000 0.494 2203 G N 0.166 108.976 108.800 0.017 0.000 2.157 2203 G HA2 -0.077 3.883 3.960 0.000 0.000 0.248 2203 G HA3 -0.077 3.883 3.960 0.000 0.000 0.248 2203 G C 0.422 175.335 174.900 0.022 0.000 0.979 2203 G CA 1.186 46.297 45.100 0.018 0.000 0.650 2203 G HN 2.357 nan 8.290 nan 0.000 0.529 2204 T N -1.704 112.866 114.554 0.027 0.000 2.907 2204 T HA 0.713 5.063 4.350 0.000 0.000 0.292 2204 T C -2.712 172.009 174.700 0.035 0.000 1.043 2204 T CA -1.543 60.577 62.100 0.033 0.000 1.003 2204 T CB 2.759 71.653 68.868 0.042 0.000 1.084 2204 T HN 0.019 nan 8.240 nan 0.000 0.483 2205 P HA 0.171 nan 4.420 nan 0.000 0.265 2205 P C 0.881 178.209 177.300 0.046 0.000 1.193 2205 P CA -0.225 62.896 63.100 0.034 0.000 0.765 2205 P CB 0.496 32.213 31.700 0.027 0.000 0.823 2206 T N -2.188 112.392 114.554 0.044 0.000 3.144 2206 T HA 0.207 4.557 4.350 0.000 0.000 0.249 2206 T C 0.370 175.109 174.700 0.065 0.000 1.089 2206 T CA -0.168 61.965 62.100 0.056 0.000 0.989 2206 T CB -0.452 68.446 68.868 0.050 0.000 0.992 2206 T HN 0.446 nan 8.240 nan 0.000 0.540 2207 S N 0.121 115.853 115.700 0.053 0.000 2.536 2207 S HA 0.743 5.213 4.470 0.000 0.000 0.271 2207 S C -0.421 174.191 174.600 0.021 0.000 1.134 2207 S CA -0.891 57.339 58.200 0.049 0.000 0.897 2207 S CB 1.165 64.382 63.200 0.029 0.000 1.094 2207 S HN 0.658 nan 8.310 nan 0.000 0.473 2208 C N 0.312 119.614 119.300 0.004 0.000 3.335 2208 C HA 0.970 5.430 4.460 0.000 0.000 0.356 2208 C C -0.296 174.628 174.990 -0.110 0.000 1.570 2208 C CA -0.878 58.086 59.018 -0.090 0.000 1.271 2208 C CB 0.938 28.549 27.740 -0.214 0.000 1.873 2208 C HN 0.929 nan 8.230 nan 0.000 0.439 2209 S N -0.202 115.388 115.700 -0.183 0.000 2.536 2209 S HA 0.790 5.260 4.470 0.000 0.000 0.298 2209 S C -0.981 173.510 174.600 -0.182 0.000 1.083 2209 S CA -0.389 57.733 58.200 -0.128 0.000 0.995 2209 S CB 1.107 64.265 63.200 -0.071 0.000 1.058 2209 S HN 0.620 nan 8.310 nan 0.000 0.488 2210 I N 2.300 122.827 120.570 -0.072 0.000 2.433 2210 I HA 0.403 4.573 4.170 0.000 0.000 0.292 2210 I C -0.466 175.682 176.117 0.052 0.000 1.001 2210 I CA -0.419 60.896 61.300 0.024 0.000 1.119 2210 I CB 1.586 39.640 38.000 0.090 0.000 1.289 2210 I HN 0.381 nan 8.210 nan 0.000 0.438 2211 M N 4.939 124.570 119.600 0.052 0.000 2.598 2211 M HA 0.451 4.931 4.480 0.000 0.000 0.317 2211 M C -0.976 175.303 176.300 -0.036 0.000 1.201 2211 M CA -0.557 54.763 55.300 0.033 0.000 0.971 2211 M CB 2.300 34.941 32.600 0.068 0.000 1.657 2211 M HN 0.606 nan 8.290 nan 0.000 0.470 2212 C N 3.061 122.347 119.300 -0.023 0.000 2.431 2212 C HA 0.673 5.133 4.460 0.000 0.000 0.321 2212 C C -1.218 173.821 174.990 0.083 0.000 1.202 2212 C CA -0.648 58.239 59.018 -0.218 0.000 1.398 2212 C CB 0.026 27.616 27.740 -0.248 0.000 2.047 2212 C HN 0.811 nan 8.230 nan 0.000 0.465 2213 F N 4.602 124.353 119.950 -0.331 0.000 2.492 2213 F HA 0.700 5.227 4.527 0.000 0.000 0.327 2213 F C 0.216 175.892 175.800 -0.208 0.000 1.079 2213 F CA -1.075 56.791 58.000 -0.225 0.000 0.967 2213 F CB 1.950 40.838 39.000 -0.187 0.000 1.169 2213 F HN 0.404 nan 8.300 nan 0.000 0.472 2214 V N 2.339 122.283 119.914 0.049 0.000 2.823 2214 V HA 0.794 4.914 4.120 0.000 0.000 0.312 2214 V C -0.908 175.151 176.094 -0.058 0.000 1.072 2214 V CA -0.194 62.109 62.300 0.006 0.000 0.937 2214 V CB 2.228 34.102 31.823 0.085 0.000 1.013 2214 V HN 0.892 nan 8.190 nan 0.000 0.430 2215 S N 4.404 120.044 115.700 -0.099 0.000 2.567 2215 S HA 0.843 5.313 4.470 0.000 0.000 0.270 2215 S C -0.641 173.834 174.600 -0.208 0.000 1.152 2215 S CA -0.224 57.884 58.200 -0.153 0.000 0.835 2215 S CB 1.251 64.389 63.200 -0.103 0.000 1.115 2215 S HN 1.909 nan 8.310 nan 0.000 0.459 2216 A N 0.780 123.407 122.820 -0.322 0.000 2.340 2216 A HA 0.663 4.983 4.320 0.000 0.000 0.268 2216 A C 0.518 178.023 177.584 -0.131 0.000 1.100 2216 A CA -0.535 51.260 52.037 -0.403 0.000 0.803 2216 A CB -0.312 18.163 19.000 -0.874 0.000 1.043 2216 A HN 1.042 nan 8.150 nan 0.000 0.488 2217 C N 0.687 119.999 119.300 0.019 0.000 2.480 2217 C HA 0.226 4.686 4.460 0.000 0.000 0.344 2217 C C 1.925 176.958 174.990 0.073 0.000 1.380 2217 C CA 0.080 59.130 59.018 0.053 0.000 2.386 2217 C CB 0.281 28.073 27.740 0.087 0.000 2.210 2217 C HN 1.011 nan 8.230 nan 0.000 0.640 2218 N N 0.720 119.448 118.700 0.048 0.000 2.449 2218 N HA -0.050 4.690 4.740 0.000 0.000 0.191 2218 N C 0.111 175.643 175.510 0.037 0.000 1.161 2218 N CA 0.555 53.628 53.050 0.038 0.000 0.863 2218 N CB -0.533 37.964 38.487 0.017 0.000 0.980 2218 N HN 0.763 nan 8.380 nan 0.000 0.458 2219 D N -1.775 118.653 120.400 0.046 0.000 2.431 2219 D HA 0.074 4.714 4.640 0.000 0.000 0.213 2219 D C -0.576 175.677 176.300 -0.077 0.000 1.130 2219 D CA -0.707 53.275 54.000 -0.030 0.000 0.834 2219 D CB -0.670 40.094 40.800 -0.059 0.000 0.985 2219 D HN 0.108 nan 8.370 nan 0.000 0.504 2220 F N 2.383 122.267 119.950 -0.111 0.000 2.410 2220 F HA 0.441 4.968 4.527 0.000 0.000 0.348 2220 F C 0.473 176.217 175.800 -0.093 0.000 1.106 2220 F CA -0.198 57.738 58.000 -0.106 0.000 1.163 2220 F CB 1.081 40.051 39.000 -0.050 0.000 1.129 2220 F HN -0.005 nan 8.300 nan 0.000 0.516 2221 S N 4.156 119.807 115.700 -0.082 0.000 2.625 2221 S HA 0.866 5.336 4.470 0.000 0.000 0.271 2221 S C -1.129 173.492 174.600 0.034 0.000 1.161 2221 S CA -0.597 57.624 58.200 0.036 0.000 0.820 2221 S CB 1.487 64.684 63.200 -0.005 0.000 1.137 2221 S HN 0.932 nan 8.310 nan 0.000 0.470 2222 V N -1.496 118.413 119.914 -0.008 0.000 3.007 2222 V HA 0.898 5.018 4.120 0.000 0.000 0.311 2222 V C -0.937 175.116 176.094 -0.068 0.000 1.120 2222 V CA -1.110 61.160 62.300 -0.051 0.000 0.980 2222 V CB 1.582 33.180 31.823 -0.374 0.000 1.033 2222 V HN 1.196 nan 8.190 nan 0.000 0.429 2223 R N 1.805 122.359 120.500 0.090 0.000 2.817 2223 R HA 0.782 5.122 4.340 0.000 0.000 0.268 2223 R C -1.411 174.974 176.300 0.142 0.000 1.027 2223 R CA -1.242 54.921 56.100 0.105 0.000 0.928 2223 R CB 1.380 31.623 30.300 -0.096 0.000 1.228 2223 R HN 1.049 nan 8.270 nan 0.000 0.469 2224 L N 1.800 123.036 121.223 0.021 0.000 3.295 2224 L HA -0.147 4.193 4.340 0.000 0.000 0.686 2224 L C -1.175 175.644 176.870 -0.084 0.000 1.088 2224 L CA 0.268 55.039 54.840 -0.114 0.000 1.255 2224 L CB -0.762 41.056 42.059 -0.402 0.000 1.713 2224 L HN 0.511 nan 8.230 nan 0.000 0.868 2225 L N 4.484 125.625 121.223 -0.138 0.000 2.514 2225 L HA 0.269 4.609 4.340 0.000 0.000 0.280 2225 L C 0.936 177.681 176.870 -0.209 0.000 1.223 2225 L CA 0.955 55.599 54.840 -0.326 0.000 0.864 2225 L CB 0.313 42.211 42.059 -0.267 0.000 1.118 2225 L HN 0.847 nan 8.230 nan 0.000 0.494 2226 K N 0.796 121.074 120.400 -0.203 0.000 2.578 2226 K HA 0.443 4.763 4.320 0.000 0.000 0.287 2226 K C -1.301 175.243 176.600 -0.095 0.000 1.010 2226 K CA -0.990 55.221 56.287 -0.127 0.000 0.889 2226 K CB 1.531 33.961 32.500 -0.118 0.000 1.514 2226 K HN 0.266 nan 8.250 nan 0.000 0.424 2227 D N 1.529 121.874 120.400 -0.093 0.000 2.344 2227 D HA 0.151 4.791 4.640 0.000 0.000 0.244 2227 D C -0.350 175.781 176.300 -0.283 0.000 1.134 2227 D CA 0.227 54.164 54.000 -0.104 0.000 0.930 2227 D CB 1.473 42.232 40.800 -0.069 0.000 1.175 2227 D HN 0.509 nan 8.370 nan 0.000 0.437 2228 T N 1.106 115.373 114.554 -0.477 0.000 2.910 2228 T HA 0.240 4.590 4.350 0.000 0.000 0.293 2228 T C -1.635 172.819 174.700 -0.409 0.000 1.015 2228 T CA -1.306 60.399 62.100 -0.658 0.000 1.094 2228 T CB 1.344 69.721 68.868 -0.819 0.000 0.968 2228 T HN 0.163 nan 8.240 nan 0.000 0.521 2229 P HA 0.087 nan 4.420 nan 0.000 0.222 2229 P C 0.952 178.247 177.300 -0.008 0.000 1.153 2229 P CA 0.465 63.420 63.100 -0.240 0.000 0.798 2229 P CB -0.030 31.496 31.700 -0.289 0.000 0.796 2230 F N -1.032 118.876 119.950 -0.070 0.000 2.546 2230 F HA 0.037 4.564 4.527 0.000 0.000 0.298 2230 F C 1.247 177.045 175.800 -0.003 0.000 1.120 2230 F CA -0.040 57.958 58.000 -0.003 0.000 1.456 2230 F CB -0.667 38.361 39.000 0.046 0.000 1.088 2230 F HN -0.034 nan 8.300 nan 0.000 0.572 2231 I N 0.921 121.573 120.570 0.135 0.000 2.608 2231 I HA 0.338 4.508 4.170 0.000 0.000 0.295 2231 I C -0.509 175.640 176.117 0.053 0.000 1.049 2231 I CA -1.031 60.324 61.300 0.092 0.000 1.063 2231 I CB 1.596 39.648 38.000 0.086 0.000 1.248 2231 I HN 0.197 nan 8.210 nan 0.000 0.424 2232 Q N 6.269 126.095 119.800 0.044 0.000 2.782 2232 Q HA 0.567 4.907 4.340 0.000 0.000 0.308 2232 Q C -2.156 173.858 176.000 0.023 0.000 0.883 2232 Q CA -0.894 54.926 55.803 0.029 0.000 0.755 2232 Q CB 2.854 31.607 28.738 0.026 0.000 1.454 2232 Q HN 0.613 nan 8.270 nan 0.000 0.452 2233 Q N -1.181 118.629 119.800 0.017 0.000 2.435 2233 Q HA 0.768 5.108 4.340 0.000 0.000 0.282 2233 Q C -1.104 174.903 176.000 0.010 0.000 1.020 2233 Q CA -0.417 55.394 55.803 0.014 0.000 0.820 2233 Q CB 1.709 30.456 28.738 0.014 0.000 1.436 2233 Q HN 0.703 nan 8.270 nan 0.000 0.395 2234 A N 0.538 123.364 122.820 0.009 0.000 2.115 2234 A HA 0.717 5.037 4.320 0.000 0.000 0.211 2234 A C 0.534 178.121 177.584 0.006 0.000 1.169 2234 A CA 0.935 52.977 52.037 0.007 0.000 0.787 2234 A CB 0.269 19.272 19.000 0.006 0.000 0.858 2234 A HN 1.015 nan 8.150 nan 0.000 0.474 2235 A N -1.892 120.932 122.820 0.007 0.000 2.564 2235 A HA 0.594 4.914 4.320 0.000 0.000 0.291 2235 A C -0.530 177.058 177.584 0.007 0.000 1.102 2235 A CA -0.555 51.486 52.037 0.006 0.000 0.660 2235 A CB -0.199 18.804 19.000 0.005 0.000 1.283 2235 A HN 0.348 nan 8.150 nan 0.000 0.430 2236 L N 0.031 121.259 121.223 0.007 0.000 2.347 2236 L HA 0.292 4.632 4.340 0.000 0.000 0.172 2236 L C 1.664 178.538 176.870 0.007 0.000 1.009 2236 L CA 1.010 55.854 54.840 0.008 0.000 0.974 2236 L CB -0.159 41.905 42.059 0.007 0.000 1.427 2236 L HN 1.077 nan 8.230 nan 0.000 0.507 2237 L N 0.426 121.653 121.223 0.006 0.000 3.991 2237 L HA -0.348 3.992 4.340 0.000 0.000 0.437 2237 L C 0.660 177.534 176.870 0.006 0.000 1.138 2237 L CA 0.090 54.933 54.840 0.005 0.000 0.964 2237 L CB -0.685 41.376 42.059 0.004 0.000 1.867 2237 L HN 0.744 nan 8.230 nan 0.000 1.028 2238 Q N 0.000 119.805 119.800 0.008 0.000 2.315 2238 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 2238 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 2238 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 2238 Q HN 0.000 nan 8.270 nan 0.000 0.481