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 1fdj_1_B DATA FIRST_RESID 2001 DATA SEQUENCE AHRFPALTPE QKKELSDIAQ RIVANGKGIL AADESVGTMG NRLQRIKVEN DATA SEQUENCE SEENRRQFRE ILFTVDNSIN QSIGGVILFH ETLYQKDSQG KLFRNILKEK DATA SEQUENCE GIVVGIKLDQ GGAPLAGTNK ETTIQGLDGL SERCAQYKKD GVDFGKWRAV DATA SEQUENCE LRIADQCPSS LAIQENANTL ARYASICQQN GLVPIVEPEV IPDGDHDLEH DATA SEQUENCE CQYVTEKVLA AVYKALNDHH VYLEGTLLKP NMVTAGHACT KKYTPEQVAM DATA SEQUENCE ATVTALHRTV PAAVPGICFL SGGMSEEDAT LNLNAINLCP LPKPWKLSFS DATA SEQUENCE YGRALQASAL AAWGGKAENK KATQEAFMKR AVVNCQAAKG QYVHTGSSGA DATA SEQUENCE ASTQSLFTAS YTY 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2001 A C 0.000 177.633 177.584 0.081 0.000 1.274 2001 A CA 0.000 52.149 52.037 0.187 0.000 0.836 2001 A CB 0.000 19.088 19.000 0.147 0.000 0.831 2002 H N 0.917 119.950 119.070 -0.062 0.000 2.559 2002 H HA 0.177 4.733 4.556 0.000 0.000 0.273 2002 H C 1.172 176.364 175.328 -0.225 0.000 1.000 2002 H CA 1.179 57.161 56.048 -0.109 0.000 1.195 2002 H CB -0.177 29.540 29.762 -0.075 0.000 1.368 2002 H HN 0.501 nan 8.280 nan 0.000 0.592 2003 R N -0.077 119.882 120.500 -0.901 0.000 2.334 2003 R HA 0.151 4.491 4.340 0.000 0.000 0.220 2003 R C -0.427 175.215 176.300 -1.096 0.000 0.917 2003 R CA 0.012 55.473 56.100 -1.065 0.000 1.073 2003 R CB 0.223 29.810 30.300 -1.188 0.000 1.056 2003 R HN 0.176 nan 8.270 nan 0.000 0.506 2004 F N 0.959 120.807 119.950 -0.170 0.000 2.523 2004 F HA 0.342 4.869 4.527 0.000 0.000 0.322 2004 F C -2.070 173.646 175.800 -0.141 0.000 1.361 2004 F CA -2.414 55.505 58.000 -0.136 0.000 1.151 2004 F CB 0.782 39.705 39.000 -0.128 0.000 1.391 2004 F HN -0.233 nan 8.300 nan 0.000 0.566 2005 P HA 0.183 nan 4.420 nan 0.000 0.268 2005 P C 0.630 177.920 177.300 -0.017 0.000 1.204 2005 P CA 0.056 63.131 63.100 -0.041 0.000 0.768 2005 P CB 1.453 33.122 31.700 -0.052 0.000 0.842 2006 A N 3.741 126.550 122.820 -0.017 0.000 1.872 2006 A HA 0.023 4.343 4.320 0.000 0.000 0.214 2006 A C 0.760 178.337 177.584 -0.012 0.000 1.187 2006 A CA 1.166 53.207 52.037 0.007 0.000 0.614 2006 A CB -0.585 18.447 19.000 0.054 0.000 0.826 2006 A HN 0.512 nan 8.150 nan 0.000 0.442 2007 L N -0.767 120.431 121.223 -0.041 0.000 2.319 2007 L HA 0.466 4.806 4.340 0.000 0.000 0.267 2007 L C 0.355 177.169 176.870 -0.095 0.000 1.011 2007 L CA -0.718 54.073 54.840 -0.083 0.000 0.818 2007 L CB 2.144 44.109 42.059 -0.156 0.000 1.316 2007 L HN 0.281 nan 8.230 nan 0.000 0.432 2008 T N -3.088 111.409 114.554 -0.094 0.000 2.927 2008 T HA 0.375 4.725 4.350 0.000 0.000 0.281 2008 T C -2.127 172.508 174.700 -0.108 0.000 0.998 2008 T CA -1.899 60.152 62.100 -0.081 0.000 1.019 2008 T CB 1.698 70.532 68.868 -0.057 0.000 1.061 2008 T HN 0.289 nan 8.240 nan 0.000 0.518 2009 P HA -0.090 nan 4.420 nan 0.000 0.216 2009 P C 1.402 178.653 177.300 -0.081 0.000 1.150 2009 P CA 0.949 64.000 63.100 -0.082 0.000 0.843 2009 P CB 0.136 31.808 31.700 -0.047 0.000 0.787 2010 E N -0.143 120.019 120.200 -0.064 0.000 2.028 2010 E HA -0.200 4.150 4.350 0.000 0.000 0.191 2010 E C 2.113 178.675 176.600 -0.064 0.000 0.988 2010 E CA 1.520 57.890 56.400 -0.050 0.000 0.799 2010 E CB -0.727 28.952 29.700 -0.036 0.000 0.755 2010 E HN 0.244 nan 8.360 nan 0.000 0.447 2011 Q N 0.088 119.839 119.800 -0.082 0.000 2.096 2011 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 2011 Q C 2.220 178.134 176.000 -0.144 0.000 0.982 2011 Q CA 1.597 57.346 55.803 -0.091 0.000 0.850 2011 Q CB -0.152 28.532 28.738 -0.091 0.000 0.901 2011 Q HN 0.173 nan 8.270 nan 0.000 0.422 2012 K N 0.907 121.152 120.400 -0.258 0.000 2.032 2012 K HA -0.184 4.136 4.320 0.000 0.000 0.209 2012 K C 2.132 178.636 176.600 -0.159 0.000 1.048 2012 K CA 1.149 57.149 56.287 -0.479 0.000 0.927 2012 K CB -0.157 31.937 32.500 -0.676 0.000 0.712 2012 K HN 0.071 nan 8.250 nan 0.000 0.441 2013 K N 1.611 121.965 120.400 -0.078 0.000 2.001 2013 K HA -0.282 4.038 4.320 0.000 0.000 0.214 2013 K C 2.126 178.740 176.600 0.023 0.000 1.050 2013 K CA 2.023 58.311 56.287 0.001 0.000 0.934 2013 K CB -0.121 32.373 32.500 -0.009 0.000 0.718 2013 K HN 0.181 nan 8.250 nan 0.000 0.443 2014 E N 0.032 120.234 120.200 0.003 0.000 2.058 2014 E HA -0.209 4.141 4.350 0.000 0.000 0.194 2014 E C 2.101 178.725 176.600 0.040 0.000 0.997 2014 E CA 1.054 57.465 56.400 0.017 0.000 0.801 2014 E CB 0.028 29.733 29.700 0.007 0.000 0.746 2014 E HN 0.186 nan 8.360 nan 0.000 0.450 2015 L N 0.871 122.123 121.223 0.050 0.000 2.083 2015 L HA -0.138 4.202 4.340 0.000 0.000 0.209 2015 L C 2.461 179.410 176.870 0.132 0.000 1.083 2015 L CA 1.553 56.453 54.840 0.099 0.000 0.752 2015 L CB -1.015 41.129 42.059 0.142 0.000 0.899 2015 L HN 0.098 nan 8.230 nan 0.000 0.433 2016 S N -0.622 115.182 115.700 0.173 0.000 2.368 2016 S HA -0.149 4.321 4.470 0.000 0.000 0.224 2016 S C 1.565 176.204 174.600 0.064 0.000 1.029 2016 S CA 1.107 59.395 58.200 0.145 0.000 0.988 2016 S CB -0.211 63.096 63.200 0.180 0.000 0.838 2016 S HN 0.451 nan 8.310 nan 0.000 0.462 2017 D N 1.532 121.962 120.400 0.051 0.000 2.117 2017 D HA -0.008 4.633 4.640 0.000 0.000 0.197 2017 D C 1.883 178.190 176.300 0.012 0.000 0.987 2017 D CA 0.815 54.830 54.000 0.026 0.000 0.829 2017 D CB -0.337 40.477 40.800 0.023 0.000 0.961 2017 D HN 0.344 nan 8.370 nan 0.000 0.460 2018 I N 1.221 121.803 120.570 0.019 0.000 2.142 2018 I HA -0.264 3.906 4.170 0.000 0.000 0.240 2018 I C 2.549 178.642 176.117 -0.040 0.000 1.078 2018 I CA 1.099 62.403 61.300 0.006 0.000 1.343 2018 I CB -0.316 37.707 38.000 0.038 0.000 1.046 2018 I HN -0.081 nan 8.210 nan 0.000 0.405 2019 A N 0.398 123.196 122.820 -0.037 0.000 1.883 2019 A HA -0.279 4.041 4.320 0.000 0.000 0.217 2019 A C 2.267 179.799 177.584 -0.086 0.000 1.186 2019 A CA 1.807 53.795 52.037 -0.082 0.000 0.624 2019 A CB -0.763 18.209 19.000 -0.047 0.000 0.822 2019 A HN 0.505 nan 8.150 nan 0.000 0.444 2020 Q N -1.262 118.510 119.800 -0.046 0.000 2.119 2020 Q HA -0.165 4.175 4.340 0.000 0.000 0.201 2020 Q C 2.352 178.322 176.000 -0.051 0.000 0.972 2020 Q CA 1.409 57.188 55.803 -0.040 0.000 0.847 2020 Q CB -0.181 28.547 28.738 -0.016 0.000 0.903 2020 Q HN 0.687 nan 8.270 nan 0.000 0.433 2021 R N 0.852 121.323 120.500 -0.048 0.000 2.081 2021 R HA -0.135 4.205 4.340 0.000 0.000 0.235 2021 R C 2.121 178.376 176.300 -0.076 0.000 1.131 2021 R CA 1.199 57.271 56.100 -0.047 0.000 0.960 2021 R CB -0.143 30.140 30.300 -0.030 0.000 0.856 2021 R HN 0.230 nan 8.270 nan 0.000 0.436 2022 I N 0.436 120.932 120.570 -0.123 0.000 2.179 2022 I HA -0.222 3.948 4.170 0.000 0.000 0.242 2022 I C 1.927 177.935 176.117 -0.181 0.000 1.088 2022 I CA 1.294 62.483 61.300 -0.184 0.000 1.357 2022 I CB -0.051 37.752 38.000 -0.328 0.000 1.051 2022 I HN 0.161 nan 8.210 nan 0.000 0.409 2023 V N -1.371 118.448 119.914 -0.159 0.000 3.647 2023 V HA 0.410 4.530 4.120 0.000 0.000 0.279 2023 V C 1.141 177.187 176.094 -0.079 0.000 1.314 2023 V CA -0.335 61.881 62.300 -0.139 0.000 1.125 2023 V CB -1.309 30.434 31.823 -0.133 0.000 0.907 2023 V HN 0.192 nan 8.190 nan 0.000 0.434 2024 A N 1.450 124.232 122.820 -0.063 0.000 2.507 2024 A HA 0.291 4.611 4.320 0.000 0.000 0.235 2024 A C 1.185 178.756 177.584 -0.022 0.000 1.070 2024 A CA 0.596 52.612 52.037 -0.034 0.000 0.768 2024 A CB -0.430 18.553 19.000 -0.029 0.000 1.011 2024 A HN 0.735 nan 8.150 nan 0.000 0.502 2025 N N -0.172 118.526 118.700 -0.005 0.000 2.681 2025 N HA -0.247 4.493 4.740 0.000 0.000 0.250 2025 N C 0.931 176.454 175.510 0.023 0.000 1.133 2025 N CA 2.708 55.763 53.050 0.009 0.000 0.732 2025 N CB -1.475 37.015 38.487 0.006 0.000 1.107 2025 N HN 2.126 nan 8.380 nan 0.000 0.559 2026 G N -1.382 107.433 108.800 0.025 0.000 2.175 2026 G HA2 -0.343 3.617 3.960 0.000 0.000 0.244 2026 G HA3 -0.343 3.617 3.960 0.000 0.000 0.244 2026 G C 0.058 174.999 174.900 0.068 0.000 0.982 2026 G CA 0.537 45.674 45.100 0.060 0.000 0.641 2026 G HN 0.511 nan 8.290 nan 0.000 0.527 2027 K N 0.639 121.038 120.400 -0.002 0.000 2.355 2027 K HA 0.491 4.811 4.320 0.000 0.000 0.270 2027 K C 1.048 177.491 176.600 -0.262 0.000 1.003 2027 K CA 0.454 56.705 56.287 -0.061 0.000 0.957 2027 K CB 0.899 33.356 32.500 -0.072 0.000 0.939 2027 K HN 0.333 nan 8.250 nan 0.000 0.482 2028 G N 1.478 109.948 108.800 -0.550 0.000 3.209 2028 G HA2 0.665 4.625 3.960 0.000 0.000 0.236 2028 G HA3 0.665 4.625 3.960 0.000 0.000 0.236 2028 G C -0.834 173.615 174.900 -0.751 0.000 1.329 2028 G CA -0.846 43.514 45.100 -1.232 0.000 1.015 2028 G HN 0.479 nan 8.290 nan 0.000 0.571 2029 I N -0.063 120.065 120.570 -0.737 0.000 2.569 2029 I HA 0.351 4.521 4.170 0.000 0.000 0.296 2029 I C -1.165 174.911 176.117 -0.067 0.000 1.028 2029 I CA -0.792 60.344 61.300 -0.272 0.000 1.082 2029 I CB 2.265 40.158 38.000 -0.179 0.000 1.264 2029 I HN 0.223 nan 8.210 nan 0.000 0.429 2030 L N 5.626 126.899 121.223 0.083 0.000 2.257 2030 L HA 0.613 4.953 4.340 0.000 0.000 0.290 2030 L C 0.080 177.053 176.870 0.172 0.000 1.044 2030 L CA -0.128 54.832 54.840 0.200 0.000 0.810 2030 L CB 1.048 43.253 42.059 0.243 0.000 1.193 2030 L HN 0.691 nan 8.230 nan 0.000 0.425 2031 A N 4.928 127.867 122.820 0.197 0.000 2.621 2031 A HA 0.679 4.999 4.320 0.000 0.000 0.329 2031 A C 0.591 178.267 177.584 0.153 0.000 1.458 2031 A CA 0.148 52.286 52.037 0.167 0.000 1.052 2031 A CB -0.060 19.047 19.000 0.178 0.000 1.142 2031 A HN 1.014 nan 8.150 nan 0.000 0.523 2032 A N 2.470 125.372 122.820 0.138 0.000 2.574 2032 A HA 0.352 4.672 4.320 0.000 0.000 0.283 2032 A C 0.520 178.178 177.584 0.123 0.000 1.270 2032 A CA 0.256 52.372 52.037 0.131 0.000 0.945 2032 A CB -0.187 18.913 19.000 0.166 0.000 1.127 2032 A HN 0.686 nan 8.150 nan 0.000 0.522 2033 D N -0.027 120.442 120.400 0.116 0.000 2.519 2033 D HA 0.124 4.764 4.640 0.000 0.000 0.238 2033 D C -0.305 176.037 176.300 0.070 0.000 1.192 2033 D CA -0.123 53.967 54.000 0.151 0.000 0.835 2033 D CB -0.435 40.446 40.800 0.136 0.000 0.975 2033 D HN 0.323 nan 8.370 nan 0.000 0.490 2034 E N 0.611 120.794 120.200 -0.028 0.000 2.415 2034 E HA 0.177 4.527 4.350 0.000 0.000 0.263 2034 E C 0.528 176.842 176.600 -0.477 0.000 0.995 2034 E CA -0.161 56.149 56.400 -0.150 0.000 0.915 2034 E CB 0.591 30.228 29.700 -0.105 0.000 0.951 2034 E HN 0.326 nan 8.360 nan 0.000 0.449 2035 S N 1.360 116.755 115.700 -0.508 0.000 2.614 2035 S HA 0.041 4.511 4.470 0.000 0.000 0.265 2035 S C 1.438 175.682 174.600 -0.593 0.000 1.303 2035 S CA -0.353 57.316 58.200 -0.884 0.000 1.000 2035 S CB 1.183 64.187 63.200 -0.326 0.000 0.935 2035 S HN 0.570 nan 8.310 nan 0.000 0.551 2036 V N -0.270 119.336 119.914 -0.514 0.000 2.469 2036 V HA 0.018 4.138 4.120 0.000 0.000 0.251 2036 V C 2.085 178.101 176.094 -0.129 0.000 1.064 2036 V CA 2.142 64.312 62.300 -0.216 0.000 1.066 2036 V CB -1.877 29.910 31.823 -0.060 0.000 0.667 2036 V HN 0.985 nan 8.190 nan 0.000 0.461 2037 G N -0.579 108.152 108.800 -0.116 0.000 2.403 2037 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 2037 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 2037 G C 1.546 176.401 174.900 -0.075 0.000 1.154 2037 G CA 1.242 46.300 45.100 -0.070 0.000 0.784 2037 G HN 0.511 nan 8.290 nan 0.000 0.538 2038 T N 0.624 115.115 114.554 -0.106 0.000 2.978 2038 T HA 0.000 4.350 4.350 0.000 0.000 0.262 2038 T C 2.262 176.912 174.700 -0.083 0.000 1.063 2038 T CA 1.060 63.109 62.100 -0.085 0.000 1.140 2038 T CB -0.066 68.746 68.868 -0.093 0.000 0.886 2038 T HN 0.173 nan 8.240 nan 0.000 0.470 2039 M N 1.488 121.018 119.600 -0.117 0.000 2.200 2039 M HA 0.169 4.649 4.480 0.000 0.000 0.265 2039 M C 2.204 178.465 176.300 -0.065 0.000 1.066 2039 M CA 1.158 56.400 55.300 -0.096 0.000 1.127 2039 M CB -0.737 31.794 32.600 -0.116 0.000 1.379 2039 M HN 0.230 nan 8.290 nan 0.000 0.420 2040 G N -0.211 108.555 108.800 -0.057 0.000 2.470 2040 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 2040 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 2040 G C 1.573 176.454 174.900 -0.031 0.000 1.121 2040 G CA 0.768 45.846 45.100 -0.035 0.000 0.766 2040 G HN 0.481 nan 8.290 nan 0.000 0.553 2041 N N 0.207 118.887 118.700 -0.033 0.000 2.250 2041 N HA -0.031 4.709 4.740 0.000 0.000 0.181 2041 N C 2.344 177.842 175.510 -0.021 0.000 1.017 2041 N CA 0.328 53.365 53.050 -0.022 0.000 0.866 2041 N CB 0.002 38.480 38.487 -0.015 0.000 0.985 2041 N HN 0.129 nan 8.380 nan 0.000 0.429 2042 R N 0.930 121.411 120.500 -0.033 0.000 2.057 2042 R HA 0.037 4.377 4.340 0.000 0.000 0.229 2042 R C 2.346 178.615 176.300 -0.051 0.000 1.136 2042 R CA 0.497 56.572 56.100 -0.041 0.000 0.952 2042 R CB -1.083 29.173 30.300 -0.073 0.000 0.848 2042 R HN 0.287 nan 8.270 nan 0.000 0.430 2043 L N 0.964 122.157 121.223 -0.051 0.000 2.131 2043 L HA -0.143 4.197 4.340 0.000 0.000 0.210 2043 L C 2.809 179.655 176.870 -0.039 0.000 1.092 2043 L CA 1.127 55.947 54.840 -0.034 0.000 0.759 2043 L CB -0.476 41.582 42.059 -0.002 0.000 0.903 2043 L HN 0.269 nan 8.230 nan 0.000 0.435 2044 Q N 0.443 120.223 119.800 -0.033 0.000 2.061 2044 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 2044 Q C 2.360 178.337 176.000 -0.037 0.000 0.984 2044 Q CA 1.630 57.413 55.803 -0.033 0.000 0.846 2044 Q CB 0.066 28.788 28.738 -0.026 0.000 0.902 2044 Q HN 0.424 nan 8.270 nan 0.000 0.421 2045 R N 0.202 120.684 120.500 -0.030 0.000 2.152 2045 R HA -0.116 4.224 4.340 0.000 0.000 0.232 2045 R C 2.042 178.319 176.300 -0.038 0.000 1.117 2045 R CA 1.406 57.490 56.100 -0.027 0.000 0.981 2045 R CB -0.369 29.928 30.300 -0.005 0.000 0.870 2045 R HN 0.485 nan 8.270 nan 0.000 0.451 2046 I N -2.177 118.362 120.570 -0.051 0.000 3.904 2046 I HA 0.269 4.439 4.170 0.000 0.000 0.333 2046 I C -0.640 175.416 176.117 -0.101 0.000 1.361 2046 I CA -0.445 60.811 61.300 -0.073 0.000 1.116 2046 I CB 0.339 38.292 38.000 -0.078 0.000 1.028 2046 I HN -0.176 nan 8.210 nan 0.000 0.398 2047 K N 0.273 120.624 120.400 -0.081 0.000 3.117 2047 K HA -0.084 4.236 4.320 0.000 0.000 0.269 2047 K C -0.672 175.866 176.600 -0.103 0.000 1.098 2047 K CA 0.643 56.880 56.287 -0.083 0.000 0.785 2047 K CB -2.189 30.262 32.500 -0.082 0.000 1.242 2047 K HN 0.385 nan 8.250 nan 0.000 0.491 2048 V N 0.971 120.823 119.914 -0.103 0.000 2.495 2048 V HA 0.217 4.337 4.120 0.000 0.000 0.298 2048 V C 0.598 176.663 176.094 -0.049 0.000 1.031 2048 V CA -1.000 61.234 62.300 -0.109 0.000 0.871 2048 V CB 1.878 33.600 31.823 -0.168 0.000 0.988 2048 V HN 0.130 nan 8.190 nan 0.000 0.432 2049 E N 2.753 122.933 120.200 -0.034 0.000 2.414 2049 E HA -0.009 4.341 4.350 0.000 0.000 0.263 2049 E C -0.052 176.555 176.600 0.012 0.000 1.000 2049 E CA -0.049 56.344 56.400 -0.011 0.000 0.914 2049 E CB 0.458 30.155 29.700 -0.005 0.000 0.948 2049 E HN 0.586 nan 8.360 nan 0.000 0.444 2050 N N 1.975 120.681 118.700 0.009 0.000 2.739 2050 N HA -0.036 4.704 4.740 0.000 0.000 0.266 2050 N C -1.179 174.349 175.510 0.030 0.000 1.168 2050 N CA -0.091 52.970 53.050 0.018 0.000 1.055 2050 N CB 0.040 38.528 38.487 0.001 0.000 1.393 2050 N HN 0.309 nan 8.380 nan 0.000 0.514 2051 S N 0.546 116.275 115.700 0.048 0.000 2.621 2051 S HA 0.277 4.747 4.470 0.000 0.000 0.302 2051 S C 0.953 175.597 174.600 0.073 0.000 1.093 2051 S CA -0.855 57.378 58.200 0.055 0.000 1.017 2051 S CB 1.753 64.985 63.200 0.054 0.000 1.077 2051 S HN 0.494 nan 8.310 nan 0.000 0.517 2052 E N 0.271 120.517 120.200 0.076 0.000 2.160 2052 E HA -0.209 4.141 4.350 0.000 0.000 0.195 2052 E C 1.437 178.098 176.600 0.103 0.000 0.991 2052 E CA 1.096 57.553 56.400 0.094 0.000 0.810 2052 E CB 0.022 29.779 29.700 0.095 0.000 0.742 2052 E HN 0.687 nan 8.360 nan 0.000 0.466 2053 E N 0.563 120.821 120.200 0.096 0.000 2.046 2053 E HA -0.134 4.216 4.350 0.000 0.000 0.190 2053 E C 1.836 178.524 176.600 0.147 0.000 0.982 2053 E CA 0.663 57.128 56.400 0.108 0.000 0.800 2053 E CB -0.146 29.610 29.700 0.093 0.000 0.756 2053 E HN 0.298 nan 8.360 nan 0.000 0.449 2054 N N 0.869 119.669 118.700 0.168 0.000 2.166 2054 N HA -0.129 4.611 4.740 0.000 0.000 0.186 2054 N C 1.883 177.533 175.510 0.233 0.000 1.019 2054 N CA 0.824 54.039 53.050 0.276 0.000 0.856 2054 N CB -0.288 38.350 38.487 0.252 0.000 0.993 2054 N HN 0.174 nan 8.380 nan 0.000 0.426 2055 R N 0.715 121.300 120.500 0.141 0.000 2.081 2055 R HA -0.016 4.324 4.340 0.000 0.000 0.235 2055 R C 2.304 178.643 176.300 0.065 0.000 1.131 2055 R CA 0.822 56.975 56.100 0.088 0.000 0.960 2055 R CB -0.225 30.118 30.300 0.072 0.000 0.856 2055 R HN 0.231 nan 8.270 nan 0.000 0.436 2056 R N 1.279 121.845 120.500 0.110 0.000 2.081 2056 R HA -0.159 4.181 4.340 0.000 0.000 0.235 2056 R C 2.144 178.495 176.300 0.085 0.000 1.131 2056 R CA 1.612 57.809 56.100 0.161 0.000 0.960 2056 R CB -0.037 30.375 30.300 0.187 0.000 0.856 2056 R HN 0.340 nan 8.270 nan 0.000 0.436 2057 Q N -0.531 119.312 119.800 0.072 0.000 2.030 2057 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 2057 Q C 1.973 177.812 176.000 -0.269 0.000 0.986 2057 Q CA 2.197 58.012 55.803 0.021 0.000 0.843 2057 Q CB -0.289 28.577 28.738 0.214 0.000 0.904 2057 Q HN 0.347 nan 8.270 nan 0.000 0.420 2058 F N 1.327 120.879 119.950 -0.663 0.000 2.069 2058 F HA -0.220 4.307 4.527 0.000 0.000 0.298 2058 F C 2.191 177.522 175.800 -0.781 0.000 1.113 2058 F CA 1.472 58.841 58.000 -1.051 0.000 1.214 2058 F CB 0.068 38.416 39.000 -1.087 0.000 0.978 2058 F HN -0.093 nan 8.300 nan 0.000 0.474 2059 R N 0.045 120.105 120.500 -0.732 0.000 2.241 2059 R HA -0.172 4.168 4.340 0.000 0.000 0.224 2059 R C 2.100 177.419 176.300 -1.635 0.000 1.101 2059 R CA 1.310 56.672 56.100 -1.230 0.000 0.995 2059 R CB -0.497 29.229 30.300 -0.957 0.000 0.870 2059 R HN 0.528 nan 8.270 nan 0.000 0.463 2060 E N 1.345 120.984 120.200 -0.934 0.000 2.051 2060 E HA -0.111 4.239 4.350 0.000 0.000 0.189 2060 E C 1.917 178.223 176.600 -0.490 0.000 0.979 2060 E CA 0.603 56.644 56.400 -0.599 0.000 0.803 2060 E CB 0.077 29.771 29.700 -0.010 0.000 0.761 2060 E HN 0.238 nan 8.360 nan 0.000 0.451 2061 I N 1.334 121.584 120.570 -0.533 0.000 2.163 2061 I HA -0.327 3.843 4.170 0.000 0.000 0.243 2061 I C 2.436 178.279 176.117 -0.458 0.000 1.085 2061 I CA 1.067 62.102 61.300 -0.440 0.000 1.347 2061 I CB -0.284 37.394 38.000 -0.536 0.000 1.044 2061 I HN 0.220 nan 8.210 nan 0.000 0.408 2062 L N -0.421 120.347 121.223 -0.758 0.000 2.027 2062 L HA -0.184 4.156 4.340 0.000 0.000 0.206 2062 L C 2.431 179.193 176.870 -0.181 0.000 1.074 2062 L CA 1.170 55.599 54.840 -0.685 0.000 0.745 2062 L CB -0.677 40.733 42.059 -1.080 0.000 0.898 2062 L HN 0.160 nan 8.230 nan 0.000 0.433 2063 F N 0.177 119.875 119.950 -0.419 0.000 2.502 2063 F HA -0.072 4.455 4.527 0.000 0.000 0.298 2063 F C 2.440 178.165 175.800 -0.125 0.000 1.111 2063 F CA 1.004 58.842 58.000 -0.270 0.000 1.445 2063 F CB -1.619 37.135 39.000 -0.410 0.000 1.081 2063 F HN 0.191 nan 8.300 nan 0.000 0.558 2064 T N -1.955 112.633 114.554 0.055 0.000 3.186 2064 T HA 0.335 4.685 4.350 0.000 0.000 0.257 2064 T C 0.617 175.353 174.700 0.060 0.000 1.029 2064 T CA -0.060 62.078 62.100 0.062 0.000 0.916 2064 T CB -1.240 67.655 68.868 0.045 0.000 1.041 2064 T HN -0.046 nan 8.240 nan 0.000 0.562 2065 V N -0.603 119.362 119.914 0.085 0.000 3.503 2065 V HA 0.294 4.414 4.120 0.000 0.000 0.300 2065 V C 0.192 176.332 176.094 0.077 0.000 1.099 2065 V CA -1.160 61.198 62.300 0.097 0.000 1.117 2065 V CB 0.064 31.991 31.823 0.175 0.000 1.122 2065 V HN 0.173 nan 8.190 nan 0.000 0.476 2066 D N 0.964 121.401 120.400 0.062 0.000 2.449 2066 D HA 0.029 4.669 4.640 0.000 0.000 0.236 2066 D C 1.013 177.338 176.300 0.042 0.000 1.149 2066 D CA 0.622 54.649 54.000 0.045 0.000 0.878 2066 D CB -0.036 40.784 40.800 0.034 0.000 1.198 2066 D HN 0.719 nan 8.370 nan 0.000 0.446 2067 N N -0.093 118.628 118.700 0.034 0.000 2.334 2067 N HA -0.191 4.549 4.740 0.000 0.000 0.187 2067 N C 1.643 177.167 175.510 0.022 0.000 1.016 2067 N CA 1.162 54.229 53.050 0.029 0.000 0.879 2067 N CB 0.064 38.565 38.487 0.024 0.000 0.965 2067 N HN 0.363 nan 8.380 nan 0.000 0.438 2068 S N 0.771 116.482 115.700 0.019 0.000 2.400 2068 S HA -0.192 4.279 4.470 0.000 0.000 0.232 2068 S C 1.835 176.439 174.600 0.005 0.000 1.025 2068 S CA 1.143 59.350 58.200 0.011 0.000 0.993 2068 S CB -0.772 62.433 63.200 0.008 0.000 0.808 2068 S HN 0.431 nan 8.310 nan 0.000 0.478 2069 I N 3.529 124.103 120.570 0.006 0.000 2.623 2069 I HA -0.191 3.979 4.170 0.000 0.000 0.261 2069 I C 1.784 177.906 176.117 0.007 0.000 1.204 2069 I CA 1.348 62.644 61.300 -0.006 0.000 1.444 2069 I CB -1.821 36.190 38.000 0.018 0.000 1.094 2069 I HN 0.628 nan 8.210 nan 0.000 0.451 2070 N N 0.702 119.409 118.700 0.012 0.000 2.609 2070 N HA -0.170 4.570 4.740 0.000 0.000 0.190 2070 N C 1.605 177.117 175.510 0.004 0.000 1.157 2070 N CA 0.427 53.481 53.050 0.007 0.000 0.918 2070 N CB -0.294 38.197 38.487 0.006 0.000 0.978 2070 N HN 0.611 nan 8.380 nan 0.000 0.448 2071 Q N -0.461 119.344 119.800 0.007 0.000 2.384 2071 Q HA 0.189 4.529 4.340 0.000 0.000 0.207 2071 Q C 0.922 176.935 176.000 0.021 0.000 0.904 2071 Q CA 0.320 56.130 55.803 0.011 0.000 0.933 2071 Q CB 0.680 29.424 28.738 0.011 0.000 1.077 2071 Q HN 0.391 nan 8.270 nan 0.000 0.522 2072 S N -0.368 115.346 115.700 0.024 0.000 2.731 2072 S HA 0.206 4.676 4.470 0.000 0.000 0.244 2072 S C 0.480 175.120 174.600 0.066 0.000 1.084 2072 S CA -0.041 58.197 58.200 0.064 0.000 0.877 2072 S CB 0.921 64.146 63.200 0.042 0.000 0.798 2072 S HN 0.095 nan 8.310 nan 0.000 0.496 2073 I N 2.098 122.682 120.570 0.024 0.000 2.354 2073 I HA 0.396 4.566 4.170 0.000 0.000 0.292 2073 I C 1.183 177.275 176.117 -0.041 0.000 0.989 2073 I CA -0.050 61.243 61.300 -0.011 0.000 1.188 2073 I CB 0.958 38.990 38.000 0.055 0.000 1.342 2073 I HN 0.300 nan 8.210 nan 0.000 0.457 2074 G N 4.241 112.983 108.800 -0.096 0.000 2.921 2074 G HA2 0.415 4.375 3.960 0.000 0.000 0.213 2074 G HA3 0.415 4.375 3.960 0.000 0.000 0.213 2074 G C 0.509 175.370 174.900 -0.065 0.000 1.143 2074 G CA 0.134 45.183 45.100 -0.085 0.000 0.764 2074 G HN 0.768 nan 8.290 nan 0.000 0.542 2075 G N -1.032 107.734 108.800 -0.057 0.000 2.720 2075 G HA2 0.493 4.453 3.960 0.000 0.000 0.295 2075 G HA3 0.493 4.453 3.960 0.000 0.000 0.295 2075 G C -2.066 172.905 174.900 0.119 0.000 1.437 2075 G CA -0.388 44.755 45.100 0.071 0.000 0.886 2075 G HN 0.324 nan 8.290 nan 0.000 0.509 2076 V N 1.503 121.513 119.914 0.161 0.000 2.577 2076 V HA 0.453 4.573 4.120 0.000 0.000 0.303 2076 V C -0.247 175.851 176.094 0.008 0.000 1.042 2076 V CA -0.606 61.721 62.300 0.046 0.000 0.872 2076 V CB 1.650 33.369 31.823 -0.172 0.000 0.998 2076 V HN 0.671 nan 8.190 nan 0.000 0.423 2077 I N 5.696 126.296 120.570 0.049 0.000 2.325 2077 I HA 0.416 4.586 4.170 0.000 0.000 0.291 2077 I C -0.270 175.818 176.117 -0.048 0.000 1.019 2077 I CA -0.112 61.147 61.300 -0.069 0.000 1.302 2077 I CB 0.867 38.906 38.000 0.065 0.000 1.401 2077 I HN 0.335 nan 8.210 nan 0.000 0.485 2078 L N 5.615 126.763 121.223 -0.126 0.000 2.334 2078 L HA 0.524 4.864 4.340 0.000 0.000 0.270 2078 L C -0.494 176.392 176.870 0.027 0.000 1.018 2078 L CA -0.748 54.077 54.840 -0.024 0.000 0.811 2078 L CB 1.846 43.852 42.059 -0.089 0.000 1.271 2078 L HN 0.459 nan 8.230 nan 0.000 0.443 2079 F N -0.536 119.400 119.950 -0.022 0.000 2.399 2079 F HA 0.216 4.743 4.527 0.000 0.000 0.334 2079 F C 1.435 177.258 175.800 0.039 0.000 1.097 2079 F CA -0.189 57.820 58.000 0.014 0.000 1.076 2079 F CB 1.026 40.055 39.000 0.048 0.000 1.162 2079 F HN 0.564 nan 8.300 nan 0.000 0.495 2080 H N 2.354 120.969 119.070 -0.758 0.000 2.297 2080 H HA -0.287 4.269 4.556 0.000 0.000 0.289 2080 H C 2.109 177.352 175.328 -0.143 0.000 1.105 2080 H CA 2.722 58.524 56.048 -0.411 0.000 1.219 2080 H CB -0.104 29.415 29.762 -0.404 0.000 1.351 2080 H HN 0.853 nan 8.280 nan 0.000 0.481 2081 E N -0.953 119.197 120.200 -0.084 0.000 2.048 2081 E HA -0.236 4.114 4.350 0.000 0.000 0.202 2081 E C 1.930 178.629 176.600 0.164 0.000 1.021 2081 E CA 2.383 58.905 56.400 0.202 0.000 0.825 2081 E CB -0.219 29.770 29.700 0.481 0.000 0.756 2081 E HN 0.659 nan 8.360 nan 0.000 0.454 2082 T N 1.856 116.539 114.554 0.215 0.000 2.929 2082 T HA -0.093 4.257 4.350 0.000 0.000 0.271 2082 T C 1.665 176.441 174.700 0.127 0.000 1.085 2082 T CA 0.572 62.821 62.100 0.248 0.000 1.125 2082 T CB -0.100 68.948 68.868 0.299 0.000 0.874 2082 T HN 0.195 nan 8.240 nan 0.000 0.494 2083 L N 0.072 121.199 121.223 -0.161 0.000 2.465 2083 L HA 0.022 4.362 4.340 0.000 0.000 0.224 2083 L C 0.518 176.991 176.870 -0.662 0.000 1.145 2083 L CA 1.540 56.109 54.840 -0.451 0.000 0.834 2083 L CB -0.252 41.377 42.059 -0.716 0.000 0.944 2083 L HN 0.358 nan 8.230 nan 0.000 0.451 2084 Y N -1.290 118.987 120.300 -0.038 0.000 2.641 2084 Y HA 0.304 4.854 4.550 0.000 0.000 0.248 2084 Y C 0.795 176.655 175.900 -0.066 0.000 1.170 2084 Y CA -0.739 57.328 58.100 -0.055 0.000 1.201 2084 Y CB 0.211 38.618 38.460 -0.089 0.000 1.232 2084 Y HN 0.144 nan 8.280 nan 0.000 0.537 2085 Q N 0.887 120.694 119.800 0.012 0.000 2.256 2085 Q HA 0.479 4.819 4.340 0.000 0.000 0.232 2085 Q C -0.530 175.130 176.000 -0.568 0.000 0.965 2085 Q CA -0.541 55.153 55.803 -0.181 0.000 0.908 2085 Q CB 1.519 30.213 28.738 -0.074 0.000 1.209 2085 Q HN 0.155 nan 8.270 nan 0.000 0.489 2086 K N 0.756 120.739 120.400 -0.695 0.000 2.443 2086 K HA 0.217 4.537 4.320 0.000 0.000 0.251 2086 K C -1.010 175.135 176.600 -0.757 0.000 0.972 2086 K CA -0.883 54.993 56.287 -0.684 0.000 0.833 2086 K CB 1.315 33.649 32.500 -0.277 0.000 1.317 2086 K HN 0.627 nan 8.250 nan 0.000 0.441 2087 D N -0.193 119.953 120.400 -0.423 0.000 2.398 2087 D HA 0.012 4.652 4.640 0.000 0.000 0.264 2087 D C 0.357 176.640 176.300 -0.030 0.000 1.263 2087 D CA -0.336 53.637 54.000 -0.045 0.000 1.037 2087 D CB 0.297 41.208 40.800 0.185 0.000 1.101 2087 D HN 0.281 nan 8.370 nan 0.000 0.551 2088 S N -1.334 114.388 115.700 0.038 0.000 2.584 2088 S HA -0.114 4.356 4.470 0.000 0.000 0.240 2088 S C 0.680 175.289 174.600 0.015 0.000 0.975 2088 S CA 0.705 58.922 58.200 0.027 0.000 0.949 2088 S CB -0.258 62.970 63.200 0.047 0.000 0.761 2088 S HN 0.377 nan 8.310 nan 0.000 0.536 2089 Q N -0.448 119.358 119.800 0.010 0.000 2.141 2089 Q HA 0.397 4.737 4.340 0.000 0.000 0.248 2089 Q C 0.964 176.960 176.000 -0.006 0.000 0.834 2089 Q CA 0.250 56.058 55.803 0.008 0.000 1.096 2089 Q CB 0.562 29.313 28.738 0.021 0.000 1.189 2089 Q HN 0.338 nan 8.270 nan 0.000 0.471 2090 G N 0.704 109.487 108.800 -0.028 0.000 2.166 2090 G HA2 -0.368 3.592 3.960 0.000 0.000 0.260 2090 G HA3 -0.368 3.592 3.960 0.000 0.000 0.260 2090 G C 0.164 175.040 174.900 -0.041 0.000 0.986 2090 G CA 0.684 45.761 45.100 -0.039 0.000 0.683 2090 G HN 0.259 nan 8.290 nan 0.000 0.527 2091 K N 0.332 120.709 120.400 -0.038 0.000 2.183 2091 K HA 0.605 4.925 4.320 0.000 0.000 0.274 2091 K C 0.901 177.470 176.600 -0.052 0.000 1.009 2091 K CA -0.973 55.303 56.287 -0.017 0.000 0.888 2091 K CB 0.373 32.887 32.500 0.024 0.000 1.078 2091 K HN 0.172 nan 8.250 nan 0.000 0.459 2092 L N 5.557 126.761 121.223 -0.031 0.000 2.499 2092 L HA -0.026 4.314 4.340 0.000 0.000 0.273 2092 L C 1.168 178.086 176.870 0.079 0.000 1.195 2092 L CA -0.357 54.461 54.840 -0.037 0.000 0.882 2092 L CB 0.036 42.097 42.059 0.003 0.000 1.133 2092 L HN 0.762 nan 8.230 nan 0.000 0.483 2093 F N 2.585 122.569 119.950 0.056 0.000 2.091 2093 F HA -0.235 4.292 4.527 0.000 0.000 0.299 2093 F C 2.527 178.326 175.800 -0.002 0.000 1.103 2093 F CA 1.810 59.874 58.000 0.106 0.000 1.228 2093 F CB -0.633 38.505 39.000 0.229 0.000 0.984 2093 F HN 0.575 nan 8.300 nan 0.000 0.477 2094 R N 0.155 120.744 120.500 0.148 0.000 2.120 2094 R HA -0.160 4.180 4.340 0.000 0.000 0.234 2094 R C 1.623 177.922 176.300 -0.001 0.000 1.123 2094 R CA 1.788 57.886 56.100 -0.004 0.000 0.975 2094 R CB -0.766 29.501 30.300 -0.054 0.000 0.866 2094 R HN 0.185 nan 8.270 nan 0.000 0.446 2095 N N 1.004 119.725 118.700 0.036 0.000 2.270 2095 N HA 0.001 4.741 4.740 0.000 0.000 0.181 2095 N C 1.860 177.392 175.510 0.037 0.000 1.016 2095 N CA 1.087 54.155 53.050 0.029 0.000 0.870 2095 N CB -0.086 38.420 38.487 0.033 0.000 0.979 2095 N HN 0.281 nan 8.380 nan 0.000 0.431 2096 I N 0.919 121.532 120.570 0.072 0.000 2.142 2096 I HA -0.233 3.938 4.170 0.000 0.000 0.240 2096 I C 2.003 178.132 176.117 0.020 0.000 1.078 2096 I CA 0.866 62.212 61.300 0.076 0.000 1.343 2096 I CB -0.296 37.798 38.000 0.158 0.000 1.046 2096 I HN 0.044 nan 8.210 nan 0.000 0.405 2097 L N 0.476 121.677 121.223 -0.036 0.000 2.043 2097 L HA -0.265 4.075 4.340 0.000 0.000 0.212 2097 L C 2.606 179.441 176.870 -0.058 0.000 1.075 2097 L CA 1.622 56.395 54.840 -0.110 0.000 0.752 2097 L CB -0.696 41.214 42.059 -0.248 0.000 0.891 2097 L HN 0.217 nan 8.230 nan 0.000 0.432 2098 K N 0.074 120.452 120.400 -0.037 0.000 2.097 2098 K HA -0.188 4.132 4.320 0.000 0.000 0.206 2098 K C 1.974 178.572 176.600 -0.004 0.000 1.049 2098 K CA 1.460 57.737 56.287 -0.017 0.000 0.933 2098 K CB -0.070 32.425 32.500 -0.009 0.000 0.717 2098 K HN 0.388 nan 8.250 nan 0.000 0.442 2099 E N 0.457 120.659 120.200 0.004 0.000 2.268 2099 E HA -0.120 4.230 4.350 0.000 0.000 0.195 2099 E C 1.326 177.932 176.600 0.010 0.000 0.995 2099 E CA 0.806 57.213 56.400 0.011 0.000 0.836 2099 E CB 0.185 29.896 29.700 0.019 0.000 0.763 2099 E HN 0.186 nan 8.360 nan 0.000 0.491 2100 K N -0.451 119.953 120.400 0.006 0.000 2.487 2100 K HA 0.058 4.378 4.320 0.000 0.000 0.192 2100 K C 0.881 177.482 176.600 0.002 0.000 1.027 2100 K CA 0.503 56.795 56.287 0.007 0.000 1.054 2100 K CB 0.631 33.135 32.500 0.008 0.000 0.824 2100 K HN 0.211 nan 8.250 nan 0.000 0.510 2101 G N 2.041 110.840 108.800 -0.002 0.000 2.137 2101 G HA2 -0.254 3.706 3.960 0.000 0.000 0.237 2101 G HA3 -0.254 3.706 3.960 0.000 0.000 0.237 2101 G C 0.055 174.951 174.900 -0.006 0.000 1.002 2101 G CA -0.183 44.916 45.100 -0.002 0.000 0.702 2101 G HN 0.238 nan 8.290 nan 0.000 0.515 2102 I N 0.690 121.251 120.570 -0.015 0.000 2.385 2102 I HA 0.363 4.533 4.170 0.000 0.000 0.294 2102 I C 0.854 176.968 176.117 -0.004 0.000 0.988 2102 I CA -1.053 60.237 61.300 -0.018 0.000 1.265 2102 I CB 1.684 39.658 38.000 -0.044 0.000 1.388 2102 I HN -0.123 nan 8.210 nan 0.000 0.480 2103 V N 7.076 127.014 119.914 0.039 0.000 2.530 2103 V HA 0.151 4.271 4.120 0.000 0.000 0.282 2103 V C 0.276 176.459 176.094 0.148 0.000 1.048 2103 V CA -0.542 61.821 62.300 0.106 0.000 0.997 2103 V CB 1.380 33.296 31.823 0.156 0.000 0.987 2103 V HN 0.366 nan 8.190 nan 0.000 0.477 2104 V N 4.307 124.233 119.914 0.019 0.000 2.509 2104 V HA 0.757 4.877 4.120 0.000 0.000 0.284 2104 V C 0.769 176.583 176.094 -0.467 0.000 1.047 2104 V CA 0.105 62.306 62.300 -0.165 0.000 0.952 2104 V CB 1.266 32.984 31.823 -0.176 0.000 0.988 2104 V HN 1.022 nan 8.190 nan 0.000 0.469 2105 G N 3.107 111.384 108.800 -0.871 0.000 2.630 2105 G HA2 0.779 4.739 3.960 0.000 0.000 0.296 2105 G HA3 0.779 4.739 3.960 0.000 0.000 0.296 2105 G C -1.726 172.720 174.900 -0.757 0.000 1.285 2105 G CA -0.602 43.576 45.100 -1.536 0.000 0.958 2105 G HN 0.609 nan 8.290 nan 0.000 0.479 2106 I N -0.644 119.558 120.570 -0.613 0.000 2.686 2106 I HA 0.488 4.658 4.170 0.000 0.000 0.295 2106 I C -0.287 175.670 176.117 -0.266 0.000 1.114 2106 I CA -1.045 59.986 61.300 -0.448 0.000 1.038 2106 I CB 2.285 39.857 38.000 -0.715 0.000 1.238 2106 I HN 0.447 nan 8.210 nan 0.000 0.420 2107 K N 6.572 126.870 120.400 -0.170 0.000 2.349 2107 K HA 0.329 4.649 4.320 0.000 0.000 0.288 2107 K C -0.328 176.218 176.600 -0.088 0.000 1.058 2107 K CA -0.018 56.225 56.287 -0.073 0.000 0.953 2107 K CB 0.546 33.053 32.500 0.012 0.000 0.997 2107 K HN 0.792 nan 8.250 nan 0.000 0.477 2108 L N 2.996 124.196 121.223 -0.038 0.000 2.590 2108 L HA 0.102 4.442 4.340 0.000 0.000 0.227 2108 L C 0.170 176.959 176.870 -0.133 0.000 1.099 2108 L CA -0.275 54.589 54.840 0.039 0.000 0.872 2108 L CB 0.076 42.309 42.059 0.290 0.000 1.088 2108 L HN 0.746 nan 8.230 nan 0.000 0.479 2109 D N -1.039 119.066 120.400 -0.492 0.000 2.313 2109 D HA 0.069 4.709 4.640 0.000 0.000 0.247 2109 D C 0.107 176.103 176.300 -0.507 0.000 1.094 2109 D CA -0.382 53.002 54.000 -1.026 0.000 0.925 2109 D CB 0.681 40.517 40.800 -1.606 0.000 1.188 2109 D HN 0.004 nan 8.370 nan 0.000 0.430 2110 Q N 0.850 120.381 119.800 -0.448 0.000 2.241 2110 Q HA 0.358 4.698 4.340 0.000 0.000 0.296 2110 Q C 0.095 175.989 176.000 -0.176 0.000 0.889 2110 Q CA -0.459 55.217 55.803 -0.212 0.000 1.089 2110 Q CB 0.905 29.573 28.738 -0.117 0.000 1.195 2110 Q HN 0.800 nan 8.270 nan 0.000 0.451 2111 G N -0.159 108.503 108.800 -0.229 0.000 2.756 2111 G HA2 -0.123 3.837 3.960 0.000 0.000 0.678 2111 G HA3 -0.123 3.837 3.960 0.000 0.000 0.678 2111 G C -0.074 174.745 174.900 -0.136 0.000 1.349 2111 G CA -0.783 44.224 45.100 -0.155 0.000 0.847 2111 G HN 0.390 nan 8.290 nan 0.000 0.548 2112 G N -0.846 107.899 108.800 -0.090 0.000 2.504 2112 G HA2 0.909 4.869 3.960 0.000 0.000 0.288 2112 G HA3 0.909 4.869 3.960 0.000 0.000 0.288 2112 G C 0.139 175.020 174.900 -0.033 0.000 1.182 2112 G CA 0.489 45.555 45.100 -0.057 0.000 0.894 2112 G HN 2.188 nan 8.290 nan 0.000 0.521 2113 A N 1.597 124.409 122.820 -0.013 0.000 2.427 2113 A HA 0.804 5.124 4.320 0.000 0.000 0.298 2113 A C -2.691 174.894 177.584 0.001 0.000 1.036 2113 A CA -1.351 50.684 52.037 -0.003 0.000 0.701 2113 A CB 2.070 21.076 19.000 0.009 0.000 1.250 2113 A HN 0.550 nan 8.150 nan 0.000 0.412 2114 P HA 0.279 nan 4.420 nan 0.000 0.271 2114 P C -0.883 176.421 177.300 0.006 0.000 1.216 2114 P CA 0.127 63.227 63.100 0.000 0.000 0.776 2114 P CB 0.765 32.463 31.700 -0.002 0.000 0.881 2115 L N 2.346 123.574 121.223 0.007 0.000 2.276 2115 L HA 0.454 4.794 4.340 0.000 0.000 0.286 2115 L C 0.892 177.767 176.870 0.008 0.000 1.024 2115 L CA -0.919 53.928 54.840 0.011 0.000 0.826 2115 L CB 1.151 43.218 42.059 0.013 0.000 1.211 2115 L HN 0.389 nan 8.230 nan 0.000 0.422 2116 A N 2.446 125.271 122.820 0.009 0.000 2.462 2116 A HA 0.494 4.814 4.320 0.000 0.000 0.243 2116 A C 1.217 178.806 177.584 0.008 0.000 1.076 2116 A CA 0.653 52.694 52.037 0.007 0.000 0.773 2116 A CB 0.121 19.125 19.000 0.007 0.000 1.010 2116 A HN 1.124 nan 8.150 nan 0.000 0.493 2117 G N 1.151 109.956 108.800 0.008 0.000 2.132 2117 G HA2 -0.060 3.900 3.960 0.000 0.000 0.234 2117 G HA3 -0.060 3.900 3.960 0.000 0.000 0.234 2117 G C 0.362 175.268 174.900 0.009 0.000 0.989 2117 G CA 1.054 46.159 45.100 0.008 0.000 0.676 2117 G HN 2.258 nan 8.290 nan 0.000 0.522 2118 T N -2.809 111.750 114.554 0.008 0.000 2.888 2118 T HA 0.635 4.985 4.350 0.000 0.000 0.288 2118 T C -0.240 174.465 174.700 0.007 0.000 1.063 2118 T CA -0.264 61.841 62.100 0.009 0.000 1.010 2118 T CB 2.003 70.877 68.868 0.009 0.000 1.214 2118 T HN 0.352 nan 8.240 nan 0.000 0.533 2119 N N 0.690 119.394 118.700 0.008 0.000 2.918 2119 N HA 0.209 4.949 4.740 0.000 0.000 0.247 2119 N C -0.598 174.913 175.510 0.002 0.000 1.117 2119 N CA -0.382 52.672 53.050 0.007 0.000 1.005 2119 N CB -0.831 37.662 38.487 0.010 0.000 1.297 2119 N HN 0.766 nan 8.380 nan 0.000 0.513 2120 K N 0.344 120.744 120.400 -0.001 0.000 3.077 2120 K HA -0.237 4.083 4.320 0.000 0.000 0.264 2120 K C -0.705 175.890 176.600 -0.009 0.000 1.008 2120 K CA 0.832 57.115 56.287 -0.007 0.000 0.740 2120 K CB -1.058 31.435 32.500 -0.011 0.000 1.273 2120 K HN 0.674 nan 8.250 nan 0.000 0.477 2121 E N 0.183 120.381 120.200 -0.003 0.000 2.250 2121 E HA 0.413 4.763 4.350 0.000 0.000 0.269 2121 E C 0.477 177.077 176.600 -0.001 0.000 1.018 2121 E CA -0.362 56.036 56.400 -0.002 0.000 0.873 2121 E CB 1.539 31.240 29.700 0.003 0.000 1.134 2121 E HN 0.343 nan 8.360 nan 0.000 0.403 2122 T N -1.748 112.806 114.554 0.000 0.000 2.838 2122 T HA 0.559 4.909 4.350 0.000 0.000 0.292 2122 T C -0.284 174.425 174.700 0.016 0.000 1.113 2122 T CA -0.755 61.347 62.100 0.003 0.000 1.008 2122 T CB 1.967 70.830 68.868 -0.008 0.000 1.259 2122 T HN 0.352 nan 8.240 nan 0.000 0.520 2123 T N -0.006 114.563 114.554 0.025 0.000 2.887 2123 T HA 0.682 5.032 4.350 0.000 0.000 0.292 2123 T C -1.249 173.484 174.700 0.056 0.000 1.087 2123 T CA -0.935 61.197 62.100 0.052 0.000 1.009 2123 T CB 0.964 69.866 68.868 0.057 0.000 1.203 2123 T HN 0.622 nan 8.240 nan 0.000 0.518 2124 I N 2.505 123.147 120.570 0.120 0.000 2.525 2124 I HA 0.433 4.604 4.170 0.000 0.000 0.301 2124 I C 0.316 176.530 176.117 0.162 0.000 0.992 2124 I CA -0.733 60.615 61.300 0.081 0.000 1.162 2124 I CB 1.693 39.711 38.000 0.030 0.000 1.332 2124 I HN 0.737 nan 8.210 nan 0.000 0.458 2125 Q N 2.078 121.883 119.800 0.009 0.000 2.215 2125 Q HA 0.666 5.006 4.340 0.000 0.000 0.256 2125 Q C 0.489 176.494 176.000 0.009 0.000 0.972 2125 Q CA -0.436 55.407 55.803 0.066 0.000 0.889 2125 Q CB 2.160 30.902 28.738 0.006 0.000 1.281 2125 Q HN 0.997 nan 8.270 nan 0.000 0.456 2126 G N 0.027 108.951 108.800 0.206 0.000 2.559 2126 G HA2 -0.152 3.808 3.960 0.000 0.000 0.202 2126 G HA3 -0.152 3.808 3.960 0.000 0.000 0.202 2126 G C 0.148 175.324 174.900 0.460 0.000 0.992 2126 G CA -0.421 44.830 45.100 0.251 0.000 0.764 2126 G HN 0.416 nan 8.290 nan 0.000 0.525 2127 L N 1.629 123.087 121.223 0.392 0.000 2.156 2127 L HA 0.265 4.606 4.340 0.000 0.000 0.208 2127 L C 0.718 177.676 176.870 0.147 0.000 1.095 2127 L CA 0.687 55.661 54.840 0.223 0.000 0.770 2127 L CB -0.556 41.579 42.059 0.126 0.000 0.914 2127 L HN 0.141 nan 8.230 nan 0.000 0.439 2128 D N 0.545 121.019 120.400 0.123 0.000 2.451 2128 D HA 0.312 4.952 4.640 0.000 0.000 0.254 2128 D C 1.443 177.788 176.300 0.074 0.000 1.204 2128 D CA 1.085 55.133 54.000 0.080 0.000 0.896 2128 D CB 0.195 41.031 40.800 0.061 0.000 1.136 2128 D HN 0.335 nan 8.370 nan 0.000 0.499 2129 G N 2.163 110.998 108.800 0.058 0.000 2.166 2129 G HA2 -0.361 3.599 3.960 0.000 0.000 0.260 2129 G HA3 -0.361 3.599 3.960 0.000 0.000 0.260 2129 G C 1.049 175.990 174.900 0.068 0.000 0.986 2129 G CA 0.548 45.677 45.100 0.047 0.000 0.683 2129 G HN 0.521 nan 8.290 nan 0.000 0.527 2130 L N 1.118 122.404 121.223 0.106 0.000 2.127 2130 L HA 0.080 4.420 4.340 0.000 0.000 0.211 2130 L C 2.678 179.621 176.870 0.122 0.000 1.089 2130 L CA 3.051 57.982 54.840 0.152 0.000 0.757 2130 L CB -0.769 41.415 42.059 0.210 0.000 0.899 2130 L HN 0.363 nan 8.230 nan 0.000 0.434 2131 S N -0.817 114.930 115.700 0.079 0.000 2.356 2131 S HA -0.204 4.266 4.470 0.000 0.000 0.223 2131 S C 1.837 176.463 174.600 0.044 0.000 1.032 2131 S CA 1.526 59.760 58.200 0.057 0.000 1.005 2131 S CB -0.180 63.041 63.200 0.036 0.000 0.867 2131 S HN 0.606 nan 8.310 nan 0.000 0.449 2132 E N 0.891 121.107 120.200 0.026 0.000 2.077 2132 E HA -0.032 4.318 4.350 0.000 0.000 0.193 2132 E C 2.277 178.860 176.600 -0.027 0.000 0.989 2132 E CA 0.882 57.282 56.400 -0.001 0.000 0.800 2132 E CB -0.216 29.477 29.700 -0.012 0.000 0.746 2132 E HN 0.371 nan 8.360 nan 0.000 0.452 2133 R N -0.296 120.195 120.500 -0.015 0.000 2.081 2133 R HA -0.124 4.216 4.340 0.000 0.000 0.235 2133 R C 2.120 178.408 176.300 -0.019 0.000 1.131 2133 R CA 1.498 57.547 56.100 -0.086 0.000 0.960 2133 R CB -0.425 29.912 30.300 0.062 0.000 0.856 2133 R HN 0.283 nan 8.270 nan 0.000 0.436 2134 C N -0.528 118.862 119.300 0.150 0.000 2.440 2134 C HA 0.002 4.462 4.460 0.000 0.000 0.278 2134 C C 2.806 177.876 174.990 0.133 0.000 1.295 2134 C CA 0.638 59.790 59.018 0.223 0.000 1.738 2134 C CB -0.801 27.037 27.740 0.164 0.000 1.987 2134 C HN 0.620 nan 8.230 nan 0.000 0.492 2135 A N -0.073 122.782 122.820 0.058 0.000 1.902 2135 A HA -0.232 4.088 4.320 0.000 0.000 0.217 2135 A C 2.077 179.674 177.584 0.020 0.000 1.181 2135 A CA 2.065 54.123 52.037 0.035 0.000 0.623 2135 A CB -0.611 18.398 19.000 0.014 0.000 0.818 2135 A HN 0.565 nan 8.150 nan 0.000 0.443 2136 Q N -1.242 118.535 119.800 -0.037 0.000 2.079 2136 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 2136 Q C 1.719 177.715 176.000 -0.008 0.000 0.974 2136 Q CA 1.844 57.605 55.803 -0.070 0.000 0.840 2136 Q CB -0.578 28.052 28.738 -0.180 0.000 0.898 2136 Q HN 0.674 nan 8.270 nan 0.000 0.430 2137 Y N 0.335 120.678 120.300 0.072 0.000 2.165 2137 Y HA -0.175 4.375 4.550 0.000 0.000 0.286 2137 Y C 2.189 178.101 175.900 0.019 0.000 1.155 2137 Y CA 1.593 59.722 58.100 0.048 0.000 1.164 2137 Y CB -0.480 38.000 38.460 0.034 0.000 0.978 2137 Y HN 0.104 nan 8.280 nan 0.000 0.513 2138 K N 0.867 121.374 120.400 0.177 0.000 2.097 2138 K HA -0.128 4.192 4.320 0.000 0.000 0.206 2138 K C 1.742 178.386 176.600 0.074 0.000 1.049 2138 K CA 1.496 57.844 56.287 0.102 0.000 0.933 2138 K CB -0.134 32.414 32.500 0.079 0.000 0.717 2138 K HN 0.151 nan 8.250 nan 0.000 0.442 2139 K N 0.101 120.542 120.400 0.069 0.000 2.217 2139 K HA -0.068 4.252 4.320 0.000 0.000 0.202 2139 K C 0.525 177.163 176.600 0.064 0.000 1.051 2139 K CA 1.161 57.479 56.287 0.052 0.000 0.952 2139 K CB 0.077 32.599 32.500 0.037 0.000 0.736 2139 K HN 0.178 nan 8.250 nan 0.000 0.453 2140 D N -0.198 120.258 120.400 0.094 0.000 2.319 2140 D HA 0.056 4.696 4.640 0.000 0.000 0.230 2140 D C 0.862 177.191 176.300 0.047 0.000 1.094 2140 D CA 0.408 54.468 54.000 0.100 0.000 0.856 2140 D CB 0.649 41.559 40.800 0.182 0.000 0.915 2140 D HN 0.390 nan 8.370 nan 0.000 0.517 2141 G N 0.008 108.832 108.800 0.039 0.000 2.157 2141 G HA2 -0.267 3.693 3.960 0.000 0.000 0.239 2141 G HA3 -0.267 3.693 3.960 0.000 0.000 0.239 2141 G C 0.347 175.239 174.900 -0.012 0.000 0.982 2141 G CA 0.050 45.157 45.100 0.011 0.000 0.650 2141 G HN 0.275 nan 8.290 nan 0.000 0.527 2142 V N 1.095 121.005 119.914 -0.007 0.000 2.498 2142 V HA 0.406 4.526 4.120 0.000 0.000 0.279 2142 V C 0.748 176.834 176.094 -0.014 0.000 1.048 2142 V CA 0.152 62.410 62.300 -0.069 0.000 0.967 2142 V CB 1.648 33.399 31.823 -0.119 0.000 0.988 2142 V HN 0.230 nan 8.190 nan 0.000 0.473 2143 D N 2.794 123.192 120.400 -0.003 0.000 2.423 2143 D HA 0.184 4.824 4.640 0.000 0.000 0.208 2143 D C 0.014 176.434 176.300 0.200 0.000 1.068 2143 D CA 0.715 54.776 54.000 0.102 0.000 0.860 2143 D CB 0.892 41.776 40.800 0.140 0.000 0.992 2143 D HN 0.547 nan 8.370 nan 0.000 0.504 2144 F N -0.801 119.144 119.950 -0.009 0.000 2.643 2144 F HA 0.729 5.256 4.527 0.000 0.000 0.314 2144 F C -0.220 175.590 175.800 0.016 0.000 1.096 2144 F CA -1.147 56.855 58.000 0.004 0.000 0.953 2144 F CB 1.296 40.294 39.000 -0.004 0.000 1.345 2144 F HN -0.211 nan 8.300 nan 0.000 0.468 2145 G N 0.693 109.638 108.800 0.242 0.000 2.816 2145 G HA2 0.607 4.567 3.960 0.000 0.000 0.288 2145 G HA3 0.607 4.567 3.960 0.000 0.000 0.288 2145 G C -2.211 172.900 174.900 0.352 0.000 1.334 2145 G CA -1.140 44.071 45.100 0.186 0.000 0.978 2145 G HN 0.812 nan 8.290 nan 0.000 0.493 2146 K N -0.087 120.465 120.400 0.255 0.000 2.535 2146 K HA 0.302 4.622 4.320 0.000 0.000 0.250 2146 K C -2.150 174.479 176.600 0.049 0.000 0.948 2146 K CA -0.778 55.631 56.287 0.203 0.000 0.796 2146 K CB 2.413 34.989 32.500 0.126 0.000 1.216 2146 K HN 0.554 nan 8.250 nan 0.000 0.432 2147 W N 6.536 127.651 121.300 -0.308 0.000 2.647 2147 W HA 0.359 5.019 4.660 0.000 0.000 0.328 2147 W C -1.300 175.063 176.519 -0.259 0.000 1.018 2147 W CA -0.655 56.370 57.345 -0.534 0.000 1.245 2147 W CB 1.343 29.978 29.460 -1.375 0.000 1.356 2147 W HN 0.648 nan 8.180 nan 0.000 0.443 2148 R N 4.172 124.554 120.500 -0.196 0.000 2.294 2148 R HA 0.684 5.024 4.340 0.000 0.000 0.319 2148 R C -0.950 175.317 176.300 -0.056 0.000 0.984 2148 R CA -0.128 55.930 56.100 -0.071 0.000 0.861 2148 R CB 1.289 31.535 30.300 -0.091 0.000 1.104 2148 R HN 0.443 nan 8.270 nan 0.000 0.451 2149 A N 3.954 126.811 122.820 0.062 0.000 2.350 2149 A HA 0.578 4.898 4.320 0.000 0.000 0.324 2149 A C -1.123 176.478 177.584 0.029 0.000 1.118 2149 A CA -0.674 51.409 52.037 0.076 0.000 0.783 2149 A CB 1.856 20.935 19.000 0.132 0.000 1.236 2149 A HN 0.487 nan 8.150 nan 0.000 0.457 2150 V N 3.507 123.428 119.914 0.012 0.000 2.448 2150 V HA 0.483 4.603 4.120 0.000 0.000 0.295 2150 V C -0.770 175.325 176.094 0.002 0.000 1.025 2150 V CA -0.581 61.719 62.300 0.001 0.000 0.859 2150 V CB 1.291 33.105 31.823 -0.015 0.000 0.988 2150 V HN 0.718 nan 8.190 nan 0.000 0.431 2151 L N 5.618 126.839 121.223 -0.003 0.000 2.386 2151 L HA 0.688 5.028 4.340 0.000 0.000 0.271 2151 L C -0.007 176.848 176.870 -0.026 0.000 0.993 2151 L CA -0.440 54.394 54.840 -0.011 0.000 0.819 2151 L CB 2.098 44.152 42.059 -0.009 0.000 1.294 2151 L HN 0.833 nan 8.230 nan 0.000 0.414 2152 R N 2.527 123.006 120.500 -0.034 0.000 2.832 2152 R HA 0.808 5.148 4.340 0.000 0.000 0.271 2152 R C -1.082 175.161 176.300 -0.095 0.000 0.996 2152 R CA -0.810 55.259 56.100 -0.051 0.000 0.977 2152 R CB 1.922 32.205 30.300 -0.028 0.000 1.168 2152 R HN 0.459 nan 8.270 nan 0.000 0.482 2153 I N 1.670 122.139 120.570 -0.169 0.000 2.339 2153 I HA 0.611 4.781 4.170 0.000 0.000 0.290 2153 I C -0.169 175.866 176.117 -0.135 0.000 0.994 2153 I CA -0.356 60.775 61.300 -0.282 0.000 1.191 2153 I CB 1.558 39.101 38.000 -0.761 0.000 1.343 2153 I HN 0.982 nan 8.210 nan 0.000 0.458 2154 A N 4.766 127.554 122.820 -0.053 0.000 2.573 2154 A HA 0.318 4.638 4.320 0.000 0.000 0.310 2154 A C -1.500 176.107 177.584 0.039 0.000 1.142 2154 A CA -0.628 51.418 52.037 0.015 0.000 0.620 2154 A CB 0.662 19.672 19.000 0.017 0.000 1.382 2154 A HN 0.530 nan 8.150 nan 0.000 0.545 2155 D N 1.126 121.551 120.400 0.041 0.000 2.389 2155 D HA 0.293 4.933 4.640 0.000 0.000 0.263 2155 D C -0.006 176.312 176.300 0.030 0.000 1.255 2155 D CA 1.215 55.239 54.000 0.039 0.000 0.914 2155 D CB 0.184 41.004 40.800 0.033 0.000 1.116 2155 D HN 0.426 nan 8.370 nan 0.000 0.502 2156 Q N 1.056 120.876 119.800 0.034 0.000 2.465 2156 Q HA -0.181 4.159 4.340 0.000 0.000 0.248 2156 Q C -0.740 175.277 176.000 0.028 0.000 0.819 2156 Q CA 0.580 56.401 55.803 0.029 0.000 1.219 2156 Q CB -2.495 26.256 28.738 0.022 0.000 1.472 2156 Q HN 0.530 nan 8.270 nan 0.000 0.630 2157 C N 1.074 120.391 119.300 0.028 0.000 2.626 2157 C HA 0.672 5.132 4.460 0.000 0.000 0.310 2157 C C -2.117 172.880 174.990 0.011 0.000 1.191 2157 C CA -1.270 57.756 59.018 0.014 0.000 1.517 2157 C CB 2.127 29.864 27.740 -0.004 0.000 2.102 2157 C HN 0.121 nan 8.230 nan 0.000 0.479 2158 P HA 0.249 nan 4.420 nan 0.000 0.292 2158 P C -0.172 177.146 177.300 0.029 0.000 1.287 2158 P CA 0.276 63.383 63.100 0.012 0.000 0.800 2158 P CB 1.353 33.055 31.700 0.003 0.000 0.945 2159 S N 1.960 117.674 115.700 0.024 0.000 2.617 2159 S HA 0.068 4.538 4.470 0.000 0.000 0.259 2159 S C 1.553 176.169 174.600 0.027 0.000 1.301 2159 S CA 0.224 58.441 58.200 0.028 0.000 0.984 2159 S CB -0.207 63.007 63.200 0.022 0.000 0.954 2159 S HN 0.509 nan 8.310 nan 0.000 0.572 2160 S N 0.343 116.059 115.700 0.027 0.000 2.436 2160 S HA -0.083 4.388 4.470 0.000 0.000 0.228 2160 S C 1.691 176.303 174.600 0.020 0.000 1.014 2160 S CA 0.655 58.870 58.200 0.024 0.000 0.950 2160 S CB -0.815 62.400 63.200 0.025 0.000 0.784 2160 S HN 0.654 nan 8.310 nan 0.000 0.504 2161 L N 2.458 123.693 121.223 0.019 0.000 2.027 2161 L HA 0.195 4.535 4.340 0.000 0.000 0.206 2161 L C 2.638 179.519 176.870 0.018 0.000 1.074 2161 L CA 1.774 56.625 54.840 0.018 0.000 0.745 2161 L CB -1.391 40.678 42.059 0.017 0.000 0.898 2161 L HN 0.306 nan 8.230 nan 0.000 0.433 2162 A N -0.230 122.601 122.820 0.017 0.000 1.908 2162 A HA -0.194 4.126 4.320 0.000 0.000 0.218 2162 A C 2.291 179.884 177.584 0.016 0.000 1.181 2162 A CA 2.218 54.265 52.037 0.017 0.000 0.627 2162 A CB -0.898 18.110 19.000 0.014 0.000 0.818 2162 A HN 0.544 nan 8.150 nan 0.000 0.445 2163 I N -0.901 119.678 120.570 0.015 0.000 2.286 2163 I HA -0.270 3.900 4.170 0.000 0.000 0.245 2163 I C 2.799 178.920 176.117 0.008 0.000 1.104 2163 I CA 1.338 62.645 61.300 0.011 0.000 1.397 2163 I CB -0.443 37.564 38.000 0.013 0.000 1.072 2163 I HN 0.440 nan 8.210 nan 0.000 0.417 2164 Q N 0.285 120.091 119.800 0.011 0.000 2.079 2164 Q HA -0.189 4.151 4.340 0.000 0.000 0.200 2164 Q C 2.192 178.198 176.000 0.010 0.000 0.974 2164 Q CA 1.105 56.915 55.803 0.011 0.000 0.840 2164 Q CB 0.001 28.748 28.738 0.016 0.000 0.898 2164 Q HN 0.391 nan 8.270 nan 0.000 0.430 2165 E N 0.782 120.991 120.200 0.015 0.000 2.017 2165 E HA -0.138 4.212 4.350 0.000 0.000 0.193 2165 E C 1.757 178.365 176.600 0.014 0.000 0.997 2165 E CA 0.884 57.295 56.400 0.018 0.000 0.804 2165 E CB -0.307 29.409 29.700 0.026 0.000 0.757 2165 E HN 0.344 nan 8.360 nan 0.000 0.448 2166 N N 0.707 119.419 118.700 0.020 0.000 2.120 2166 N HA -0.132 4.608 4.740 0.000 0.000 0.188 2166 N C 1.795 177.295 175.510 -0.017 0.000 1.024 2166 N CA 1.283 54.350 53.050 0.030 0.000 0.852 2166 N CB -0.180 38.331 38.487 0.041 0.000 1.003 2166 N HN 0.105 nan 8.380 nan 0.000 0.424 2167 A N 1.914 124.714 122.820 -0.033 0.000 1.883 2167 A HA -0.135 4.185 4.320 0.000 0.000 0.217 2167 A C 2.073 179.577 177.584 -0.132 0.000 1.186 2167 A CA 1.297 53.289 52.037 -0.075 0.000 0.624 2167 A CB -0.528 18.442 19.000 -0.050 0.000 0.822 2167 A HN 0.299 nan 8.150 nan 0.000 0.444 2168 N N -0.788 117.853 118.700 -0.099 0.000 2.270 2168 N HA -0.093 4.647 4.740 0.000 0.000 0.181 2168 N C 1.663 177.021 175.510 -0.252 0.000 1.016 2168 N CA 1.731 54.691 53.050 -0.150 0.000 0.870 2168 N CB -0.308 38.189 38.487 0.017 0.000 0.979 2168 N HN 0.481 nan 8.380 nan 0.000 0.431 2169 T N 1.816 116.273 114.554 -0.162 0.000 2.777 2169 T HA -0.056 4.294 4.350 0.000 0.000 0.266 2169 T C 1.933 176.385 174.700 -0.413 0.000 1.040 2169 T CA 0.349 62.331 62.100 -0.197 0.000 1.141 2169 T CB -0.166 68.686 68.868 -0.027 0.000 0.868 2169 T HN 0.019 nan 8.240 nan 0.000 0.444 2170 L N 1.420 122.438 121.223 -0.341 0.000 2.079 2170 L HA 0.049 4.389 4.340 0.000 0.000 0.210 2170 L C 2.587 179.276 176.870 -0.303 0.000 1.081 2170 L CA 1.608 56.230 54.840 -0.363 0.000 0.752 2170 L CB -1.165 40.790 42.059 -0.172 0.000 0.896 2170 L HN 0.245 nan 8.230 nan 0.000 0.433 2171 A N -1.380 121.199 122.820 -0.403 0.000 1.929 2171 A HA -0.130 4.190 4.320 0.000 0.000 0.216 2171 A C 2.356 179.628 177.584 -0.520 0.000 1.176 2171 A CA 0.876 52.605 52.037 -0.513 0.000 0.628 2171 A CB -0.351 18.184 19.000 -0.775 0.000 0.816 2171 A HN 0.276 nan 8.150 nan 0.000 0.444 2172 R N -1.096 119.096 120.500 -0.513 0.000 2.070 2172 R HA -0.161 4.179 4.340 0.000 0.000 0.233 2172 R C 2.088 178.244 176.300 -0.241 0.000 1.137 2172 R CA 1.881 57.813 56.100 -0.280 0.000 0.945 2172 R CB -1.280 28.905 30.300 -0.192 0.000 0.845 2172 R HN 0.760 nan 8.270 nan 0.000 0.430 2173 Y N 0.981 120.983 120.300 -0.497 0.000 2.114 2173 Y HA -0.276 4.274 4.550 0.000 0.000 0.282 2173 Y C 2.101 177.847 175.900 -0.256 0.000 1.165 2173 Y CA 1.788 59.593 58.100 -0.492 0.000 1.148 2173 Y CB -0.691 37.161 38.460 -1.013 0.000 0.972 2173 Y HN 0.072 nan 8.280 nan 0.000 0.504 2174 A N -0.332 122.061 122.820 -0.713 0.000 1.902 2174 A HA -0.216 4.105 4.320 0.000 0.000 0.217 2174 A C 2.557 179.934 177.584 -0.344 0.000 1.181 2174 A CA 2.139 53.783 52.037 -0.655 0.000 0.623 2174 A CB -1.524 17.251 19.000 -0.375 0.000 0.818 2174 A HN 0.590 nan 8.150 nan 0.000 0.443 2175 S N -0.498 115.072 115.700 -0.217 0.000 2.368 2175 S HA -0.111 4.359 4.470 0.000 0.000 0.225 2175 S C 1.909 176.458 174.600 -0.085 0.000 1.030 2175 S CA 1.403 59.550 58.200 -0.088 0.000 0.999 2175 S CB -0.527 62.667 63.200 -0.010 0.000 0.844 2175 S HN 0.480 nan 8.310 nan 0.000 0.459 2176 I N 0.850 121.353 120.570 -0.111 0.000 2.226 2176 I HA -0.207 3.963 4.170 0.000 0.000 0.245 2176 I C 2.592 178.669 176.117 -0.067 0.000 1.100 2176 I CA 0.898 62.161 61.300 -0.062 0.000 1.374 2176 I CB -0.564 37.418 38.000 -0.030 0.000 1.057 2176 I HN 0.411 nan 8.210 nan 0.000 0.413 2177 C N 0.420 119.627 119.300 -0.155 0.000 2.413 2177 C HA -0.197 4.263 4.460 0.000 0.000 0.276 2177 C C 2.872 177.826 174.990 -0.060 0.000 1.236 2177 C CA 0.995 59.944 59.018 -0.115 0.000 1.735 2177 C CB -1.114 26.471 27.740 -0.260 0.000 2.031 2177 C HN 0.518 nan 8.230 nan 0.000 0.474 2178 Q N -0.290 119.463 119.800 -0.078 0.000 2.170 2178 Q HA -0.199 4.141 4.340 0.000 0.000 0.203 2178 Q C 2.235 178.225 176.000 -0.016 0.000 0.976 2178 Q CA 1.075 56.861 55.803 -0.028 0.000 0.858 2178 Q CB -0.269 28.463 28.738 -0.010 0.000 0.907 2178 Q HN 0.676 nan 8.270 nan 0.000 0.433 2179 Q N 0.251 120.041 119.800 -0.017 0.000 2.364 2179 Q HA -0.064 4.276 4.340 0.000 0.000 0.207 2179 Q C 0.457 176.458 176.000 0.001 0.000 0.970 2179 Q CA 0.990 56.789 55.803 -0.007 0.000 0.888 2179 Q CB 0.020 28.757 28.738 -0.002 0.000 0.951 2179 Q HN 0.454 nan 8.270 nan 0.000 0.469 2180 N N -1.293 117.412 118.700 0.008 0.000 2.187 2180 N HA 0.200 4.940 4.740 0.000 0.000 0.212 2180 N C 0.543 176.070 175.510 0.029 0.000 1.152 2180 N CA 0.495 53.559 53.050 0.023 0.000 0.872 2180 N CB 1.339 39.851 38.487 0.042 0.000 1.025 2180 N HN 0.242 nan 8.380 nan 0.000 0.514 2181 G N 0.224 109.036 108.800 0.019 0.000 2.157 2181 G HA2 -0.242 3.718 3.960 0.000 0.000 0.248 2181 G HA3 -0.242 3.718 3.960 0.000 0.000 0.248 2181 G C -0.379 174.547 174.900 0.044 0.000 0.979 2181 G CA -0.110 45.006 45.100 0.026 0.000 0.650 2181 G HN 0.113 nan 8.290 nan 0.000 0.529 2182 L N 0.576 121.827 121.223 0.048 0.000 2.322 2182 L HA 0.669 5.009 4.340 0.000 0.000 0.279 2182 L C 0.734 177.642 176.870 0.064 0.000 1.036 2182 L CA -0.963 53.921 54.840 0.073 0.000 0.807 2182 L CB 1.989 44.098 42.059 0.083 0.000 1.226 2182 L HN -0.065 nan 8.230 nan 0.000 0.433 2183 V N 5.021 125.002 119.914 0.112 0.000 2.405 2183 V HA 0.242 4.362 4.120 0.000 0.000 0.264 2183 V C -1.924 174.235 176.094 0.108 0.000 1.048 2183 V CA -1.251 61.101 62.300 0.087 0.000 0.966 2183 V CB 0.837 32.702 31.823 0.071 0.000 1.015 2183 V HN 0.611 nan 8.190 nan 0.000 0.477 2184 P HA 0.304 nan 4.420 nan 0.000 0.282 2184 P C -0.525 176.847 177.300 0.120 0.000 1.262 2184 P CA -0.171 62.924 63.100 -0.008 0.000 0.773 2184 P CB 1.124 32.572 31.700 -0.421 0.000 0.879 2185 I N 4.086 124.827 120.570 0.285 0.000 2.312 2185 I HA 0.148 4.318 4.170 0.000 0.000 0.291 2185 I C 0.377 176.654 176.117 0.267 0.000 1.031 2185 I CA -0.867 60.552 61.300 0.197 0.000 1.293 2185 I CB 1.438 39.552 38.000 0.190 0.000 1.403 2185 I HN 0.032 nan 8.210 nan 0.000 0.484 2186 V N 6.907 126.912 119.914 0.152 0.000 2.406 2186 V HA 0.156 4.276 4.120 0.000 0.000 0.272 2186 V C 0.352 176.488 176.094 0.070 0.000 1.043 2186 V CA -0.317 62.061 62.300 0.131 0.000 0.915 2186 V CB 1.169 32.986 31.823 -0.010 0.000 0.988 2186 V HN 0.721 nan 8.190 nan 0.000 0.466 2187 E N 7.639 127.895 120.200 0.092 0.000 2.346 2187 E HA 0.382 4.732 4.350 0.000 0.000 0.239 2187 E C -2.778 173.857 176.600 0.058 0.000 0.943 2187 E CA -1.954 54.484 56.400 0.063 0.000 0.751 2187 E CB 1.844 31.586 29.700 0.069 0.000 1.241 2187 E HN 0.437 nan 8.360 nan 0.000 0.423 2188 P HA 0.189 nan 4.420 nan 0.000 0.273 2188 P C -1.135 176.183 177.300 0.031 0.000 1.531 2188 P CA -0.269 62.849 63.100 0.029 0.000 1.027 2188 P CB 0.606 32.310 31.700 0.007 0.000 1.387 2189 E N 2.966 123.185 120.200 0.032 0.000 2.167 2189 E HA 0.239 4.589 4.350 0.000 0.000 0.284 2189 E C -0.786 175.824 176.600 0.017 0.000 1.016 2189 E CA -0.718 55.700 56.400 0.030 0.000 0.817 2189 E CB 0.900 30.620 29.700 0.033 0.000 1.080 2189 E HN 0.075 nan 8.360 nan 0.000 0.397 2190 V N 7.471 127.392 119.914 0.013 0.000 2.353 2190 V HA 0.150 4.270 4.120 0.000 0.000 0.264 2190 V C 0.643 176.738 176.094 0.002 0.000 1.049 2190 V CA -0.464 61.831 62.300 -0.009 0.000 0.896 2190 V CB -0.045 31.764 31.823 -0.023 0.000 1.025 2190 V HN 0.576 nan 8.190 nan 0.000 0.475 2191 I N 3.742 124.316 120.570 0.006 0.000 2.813 2191 I HA 0.244 4.414 4.170 0.000 0.000 0.287 2191 I C -1.609 174.536 176.117 0.046 0.000 1.196 2191 I CA -1.355 59.961 61.300 0.028 0.000 1.421 2191 I CB 0.255 38.277 38.000 0.036 0.000 1.365 2191 I HN 0.336 nan 8.210 nan 0.000 0.591 2192 P HA 0.079 nan 4.420 nan 0.000 0.245 2192 P C -0.624 176.650 177.300 -0.043 0.000 1.212 2192 P CA 0.366 63.381 63.100 -0.143 0.000 0.774 2192 P CB -0.088 31.259 31.700 -0.588 0.000 0.999 2193 D N 0.698 121.203 120.400 0.175 0.000 2.455 2193 D HA 0.396 5.036 4.640 0.000 0.000 0.241 2193 D C 1.350 177.796 176.300 0.242 0.000 1.138 2193 D CA 1.274 55.449 54.000 0.292 0.000 0.877 2193 D CB 0.082 41.034 40.800 0.254 0.000 1.187 2193 D HN 0.157 nan 8.370 nan 0.000 0.451 2194 G N 1.993 110.910 108.800 0.196 0.000 2.371 2194 G HA2 0.035 3.995 3.960 0.000 0.000 0.663 2194 G HA3 0.035 3.995 3.960 0.000 0.000 0.663 2194 G C -0.732 174.179 174.900 0.018 0.000 1.311 2194 G CA -0.260 44.939 45.100 0.165 0.000 0.985 2194 G HN 0.529 nan 8.290 nan 0.000 0.566 2195 D N -1.217 119.216 120.400 0.054 0.000 2.559 2195 D HA 0.181 4.821 4.640 0.000 0.000 0.234 2195 D C 0.920 177.230 176.300 0.018 0.000 1.226 2195 D CA 0.061 54.060 54.000 -0.001 0.000 0.830 2195 D CB -0.371 40.455 40.800 0.044 0.000 1.028 2195 D HN 0.838 nan 8.370 nan 0.000 0.492 2196 H N -0.100 118.995 119.070 0.042 0.000 2.615 2196 H HA 0.325 4.881 4.556 0.000 0.000 0.363 2196 H C -0.085 175.283 175.328 0.066 0.000 1.148 2196 H CA -0.441 55.651 56.048 0.072 0.000 1.401 2196 H CB 0.839 30.581 29.762 -0.034 0.000 1.461 2196 H HN 0.112 nan 8.280 nan 0.000 0.588 2197 D N 1.535 122.061 120.400 0.209 0.000 2.506 2197 D HA -0.022 4.618 4.640 0.000 0.000 0.272 2197 D C 1.399 177.736 176.300 0.060 0.000 1.214 2197 D CA -0.878 53.202 54.000 0.133 0.000 1.067 2197 D CB 0.885 41.797 40.800 0.187 0.000 1.117 2197 D HN 0.449 nan 8.370 nan 0.000 0.578 2198 L N -0.051 121.066 121.223 -0.177 0.000 2.012 2198 L HA -0.180 4.160 4.340 0.000 0.000 0.210 2198 L C 2.264 179.097 176.870 -0.060 0.000 1.073 2198 L CA 2.441 57.095 54.840 -0.310 0.000 0.748 2198 L CB -1.038 40.553 42.059 -0.780 0.000 0.891 2198 L HN 0.711 nan 8.230 nan 0.000 0.431 2199 E N -2.099 118.111 120.200 0.017 0.000 2.153 2199 E HA -0.318 4.032 4.350 0.000 0.000 0.194 2199 E C 2.094 178.793 176.600 0.165 0.000 0.988 2199 E CA 1.643 58.092 56.400 0.082 0.000 0.811 2199 E CB -0.791 28.953 29.700 0.073 0.000 0.746 2199 E HN 0.778 nan 8.360 nan 0.000 0.466 2200 H N -0.274 118.831 119.070 0.058 0.000 2.389 2200 H HA -0.091 4.465 4.556 0.000 0.000 0.299 2200 H C 2.234 177.600 175.328 0.063 0.000 1.081 2200 H CA 1.185 57.264 56.048 0.051 0.000 1.345 2200 H CB 0.125 29.918 29.762 0.051 0.000 1.393 2200 H HN 0.397 nan 8.280 nan 0.000 0.520 2201 C N 0.835 120.239 119.300 0.173 0.000 2.453 2201 C HA -0.126 4.334 4.460 0.000 0.000 0.277 2201 C C 2.801 177.838 174.990 0.079 0.000 1.262 2201 C CA 1.647 60.697 59.018 0.055 0.000 1.718 2201 C CB -0.995 26.797 27.740 0.086 0.000 2.031 2201 C HN 0.700 nan 8.230 nan 0.000 0.480 2202 Q N -1.413 118.445 119.800 0.096 0.000 2.096 2202 Q HA -0.271 4.069 4.340 0.000 0.000 0.204 2202 Q C 2.079 178.154 176.000 0.125 0.000 0.982 2202 Q CA 2.318 58.174 55.803 0.089 0.000 0.850 2202 Q CB -0.524 28.262 28.738 0.080 0.000 0.901 2202 Q HN 0.872 nan 8.270 nan 0.000 0.422 2203 Y N 0.069 120.406 120.300 0.061 0.000 2.114 2203 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 2203 Y C 2.065 177.999 175.900 0.057 0.000 1.143 2203 Y CA 1.778 59.916 58.100 0.063 0.000 1.135 2203 Y CB -0.208 38.298 38.460 0.077 0.000 0.980 2203 Y HN -0.044 nan 8.280 nan 0.000 0.499 2204 V N -0.515 119.557 119.914 0.262 0.000 2.343 2204 V HA -0.324 3.796 4.120 0.000 0.000 0.247 2204 V C 2.215 178.320 176.094 0.020 0.000 1.051 2204 V CA 2.401 64.776 62.300 0.125 0.000 1.036 2204 V CB -1.080 30.778 31.823 0.057 0.000 0.654 2204 V HN 0.497 nan 8.190 nan 0.000 0.451 2205 T N -0.402 114.164 114.554 0.019 0.000 2.746 2205 T HA -0.202 4.148 4.350 0.000 0.000 0.267 2205 T C 1.792 176.490 174.700 -0.003 0.000 1.039 2205 T CA 1.659 63.766 62.100 0.011 0.000 1.142 2205 T CB -0.230 68.653 68.868 0.026 0.000 0.866 2205 T HN 0.598 nan 8.240 nan 0.000 0.444 2206 E N 0.639 120.820 120.200 -0.031 0.000 2.077 2206 E HA -0.112 4.238 4.350 0.000 0.000 0.193 2206 E C 2.413 178.965 176.600 -0.080 0.000 0.989 2206 E CA 0.702 57.068 56.400 -0.056 0.000 0.800 2206 E CB 0.023 29.666 29.700 -0.096 0.000 0.746 2206 E HN 0.207 nan 8.360 nan 0.000 0.452 2207 K N 0.577 120.899 120.400 -0.130 0.000 2.026 2207 K HA -0.106 4.214 4.320 0.000 0.000 0.208 2207 K C 2.251 178.830 176.600 -0.035 0.000 1.048 2207 K CA 0.768 56.989 56.287 -0.110 0.000 0.929 2207 K CB -0.731 31.695 32.500 -0.124 0.000 0.713 2207 K HN 0.057 nan 8.250 nan 0.000 0.439 2208 V N 1.958 121.863 119.914 -0.015 0.000 2.295 2208 V HA -0.211 3.909 4.120 0.000 0.000 0.246 2208 V C 2.487 178.594 176.094 0.020 0.000 1.049 2208 V CA 1.473 63.775 62.300 0.003 0.000 1.024 2208 V CB -0.452 31.374 31.823 0.006 0.000 0.648 2208 V HN 0.195 nan 8.190 nan 0.000 0.447 2209 L N -0.068 121.180 121.223 0.042 0.000 2.131 2209 L HA -0.144 4.196 4.340 0.000 0.000 0.210 2209 L C 2.696 179.666 176.870 0.166 0.000 1.092 2209 L CA 1.393 56.302 54.840 0.116 0.000 0.759 2209 L CB -0.755 41.373 42.059 0.115 0.000 0.903 2209 L HN 0.377 nan 8.230 nan 0.000 0.435 2210 A N 0.081 122.949 122.820 0.079 0.000 1.902 2210 A HA -0.145 4.175 4.320 0.000 0.000 0.217 2210 A C 2.536 180.163 177.584 0.071 0.000 1.181 2210 A CA 1.657 53.736 52.037 0.071 0.000 0.623 2210 A CB -0.599 18.407 19.000 0.010 0.000 0.818 2210 A HN 0.391 nan 8.150 nan 0.000 0.443 2211 A N -0.575 122.267 122.820 0.036 0.000 1.898 2211 A HA 0.034 4.354 4.320 0.000 0.000 0.216 2211 A C 2.230 179.814 177.584 -0.001 0.000 1.181 2211 A CA 1.677 53.724 52.037 0.017 0.000 0.620 2211 A CB -0.932 18.071 19.000 0.005 0.000 0.819 2211 A HN 0.355 nan 8.150 nan 0.000 0.442 2212 V N -1.423 118.478 119.914 -0.022 0.000 2.255 2212 V HA -0.307 3.813 4.120 0.000 0.000 0.247 2212 V C 2.363 178.322 176.094 -0.225 0.000 1.051 2212 V CA 2.173 64.388 62.300 -0.141 0.000 1.018 2212 V CB -1.031 30.676 31.823 -0.194 0.000 0.641 2212 V HN 0.686 nan 8.190 nan 0.000 0.445 2213 Y N -0.005 120.282 120.300 -0.023 0.000 2.439 2213 Y HA -0.129 4.421 4.550 0.000 0.000 0.292 2213 Y C 2.384 178.279 175.900 -0.007 0.000 1.130 2213 Y CA 1.546 59.636 58.100 -0.017 0.000 1.254 2213 Y CB -0.181 38.269 38.460 -0.016 0.000 1.000 2213 Y HN 0.171 nan 8.280 nan 0.000 0.554 2214 K N 0.835 121.295 120.400 0.100 0.000 2.116 2214 K HA -0.010 4.310 4.320 0.000 0.000 0.203 2214 K C 2.099 178.721 176.600 0.038 0.000 1.052 2214 K CA 1.280 57.605 56.287 0.063 0.000 0.952 2214 K CB -0.549 31.979 32.500 0.046 0.000 0.729 2214 K HN 0.116 nan 8.250 nan 0.000 0.446 2215 A N 0.938 123.767 122.820 0.015 0.000 1.902 2215 A HA -0.075 4.245 4.320 0.000 0.000 0.217 2215 A C 2.215 179.829 177.584 0.051 0.000 1.181 2215 A CA 1.551 53.611 52.037 0.038 0.000 0.623 2215 A CB -0.732 18.245 19.000 -0.038 0.000 0.818 2215 A HN 0.320 nan 8.150 nan 0.000 0.443 2216 L N -0.162 121.027 121.223 -0.058 0.000 2.131 2216 L HA -0.184 4.156 4.340 0.000 0.000 0.210 2216 L C 2.570 179.448 176.870 0.013 0.000 1.092 2216 L CA 1.291 56.092 54.840 -0.066 0.000 0.759 2216 L CB -0.573 41.395 42.059 -0.152 0.000 0.903 2216 L HN 0.546 nan 8.230 nan 0.000 0.435 2217 N N 0.108 118.827 118.700 0.033 0.000 2.171 2217 N HA -0.185 4.555 4.740 0.000 0.000 0.184 2217 N C 1.349 176.832 175.510 -0.045 0.000 1.021 2217 N CA 1.336 54.407 53.050 0.037 0.000 0.854 2217 N CB 0.068 38.589 38.487 0.057 0.000 0.994 2217 N HN 0.289 nan 8.380 nan 0.000 0.426 2218 D N 0.109 120.469 120.400 -0.066 0.000 2.123 2218 D HA -0.142 4.498 4.640 0.000 0.000 0.196 2218 D C 1.223 177.194 176.300 -0.548 0.000 0.992 2218 D CA 1.037 54.905 54.000 -0.219 0.000 0.833 2218 D CB -0.443 40.270 40.800 -0.145 0.000 0.954 2218 D HN 0.526 nan 8.370 nan 0.000 0.455 2219 H N -0.540 118.309 119.070 -0.368 0.000 2.547 2219 H HA 0.030 4.586 4.556 0.000 0.000 0.266 2219 H C -0.026 175.108 175.328 -0.324 0.000 0.988 2219 H CA 0.380 56.206 56.048 -0.370 0.000 1.147 2219 H CB 0.069 29.725 29.762 -0.176 0.000 1.365 2219 H HN 0.431 nan 8.280 nan 0.000 0.589 2220 H N -1.854 117.276 119.070 0.100 0.000 2.903 2220 H HA -0.115 4.441 4.556 0.000 0.000 0.285 2220 H C -0.222 175.161 175.328 0.092 0.000 1.231 2220 H CA 0.062 56.161 56.048 0.084 0.000 1.135 2220 H CB -2.147 27.656 29.762 0.068 0.000 1.328 2220 H HN 0.017 nan 8.280 nan 0.000 0.388 2221 V N 0.847 120.840 119.914 0.132 0.000 2.555 2221 V HA -0.058 4.062 4.120 0.000 0.000 0.286 2221 V C 0.654 176.841 176.094 0.154 0.000 1.044 2221 V CA -0.076 62.285 62.300 0.103 0.000 1.026 2221 V CB 0.212 32.040 31.823 0.008 0.000 0.981 2221 V HN 0.349 nan 8.190 nan 0.000 0.480 2222 Y N 5.326 125.644 120.300 0.030 0.000 2.613 2222 Y HA 0.243 4.793 4.550 0.000 0.000 0.354 2222 Y C 1.041 176.961 175.900 0.032 0.000 1.063 2222 Y CA -0.340 57.781 58.100 0.035 0.000 1.384 2222 Y CB 0.114 38.588 38.460 0.023 0.000 1.199 2222 Y HN 0.628 nan 8.280 nan 0.000 0.517 2223 L N 3.289 124.409 121.223 -0.171 0.000 2.127 2223 L HA -0.230 4.110 4.340 0.000 0.000 0.211 2223 L C 1.674 178.381 176.870 -0.272 0.000 1.089 2223 L CA 1.520 56.277 54.840 -0.139 0.000 0.757 2223 L CB -0.178 41.862 42.059 -0.031 0.000 0.899 2223 L HN 0.564 nan 8.230 nan 0.000 0.434 2224 E N 0.035 119.847 120.200 -0.646 0.000 2.265 2224 E HA -0.118 4.232 4.350 0.000 0.000 0.196 2224 E C 1.509 177.948 176.600 -0.268 0.000 0.996 2224 E CA 1.052 57.133 56.400 -0.531 0.000 0.832 2224 E CB -0.152 29.109 29.700 -0.731 0.000 0.756 2224 E HN 0.420 nan 8.360 nan 0.000 0.491 2225 G N 0.655 109.348 108.800 -0.179 0.000 4.486 2225 G HA2 0.241 4.201 3.960 0.000 0.000 0.306 2225 G HA3 0.241 4.201 3.960 0.000 0.000 0.306 2225 G C -0.240 174.691 174.900 0.051 0.000 1.331 2225 G CA 0.075 45.247 45.100 0.120 0.000 1.113 2225 G HN 0.172 nan 8.290 nan 0.000 0.594 2226 T N -2.791 111.753 114.554 -0.016 0.000 2.812 2226 T HA 0.793 5.143 4.350 0.000 0.000 0.294 2226 T C -1.480 173.197 174.700 -0.039 0.000 1.159 2226 T CA -0.894 61.194 62.100 -0.020 0.000 1.008 2226 T CB 2.558 71.415 68.868 -0.019 0.000 1.289 2226 T HN 0.021 nan 8.240 nan 0.000 0.514 2227 L N 0.314 121.512 121.223 -0.041 0.000 2.466 2227 L HA 0.804 5.144 4.340 0.000 0.000 0.258 2227 L C -1.688 175.148 176.870 -0.058 0.000 0.973 2227 L CA -0.848 53.945 54.840 -0.079 0.000 0.826 2227 L CB 2.167 44.144 42.059 -0.138 0.000 1.372 2227 L HN 0.907 nan 8.230 nan 0.000 0.409 2228 L N 2.714 123.876 121.223 -0.100 0.000 2.346 2228 L HA 0.627 4.968 4.340 0.000 0.000 0.276 2228 L C -0.677 176.100 176.870 -0.155 0.000 1.006 2228 L CA -0.204 54.580 54.840 -0.093 0.000 0.817 2228 L CB 1.359 43.369 42.059 -0.083 0.000 1.272 2228 L HN 0.661 nan 8.230 nan 0.000 0.421 2229 K N 6.668 127.015 120.400 -0.089 0.000 2.679 2229 K HA 0.519 4.839 4.320 0.000 0.000 0.188 2229 K C -2.817 173.770 176.600 -0.022 0.000 1.055 2229 K CA -1.459 54.782 56.287 -0.077 0.000 1.006 2229 K CB 0.981 33.475 32.500 -0.009 0.000 1.317 2229 K HN 0.394 nan 8.250 nan 0.000 0.584 2230 P HA 0.155 nan 4.420 nan 0.000 0.283 2230 P C -1.012 176.379 177.300 0.151 0.000 1.278 2230 P CA -0.616 62.510 63.100 0.043 0.000 0.834 2230 P CB 0.928 32.638 31.700 0.017 0.000 1.150 2231 N N 0.886 119.666 118.700 0.133 0.000 2.424 2231 N HA 0.157 4.897 4.740 0.000 0.000 0.257 2231 N C 0.035 175.650 175.510 0.175 0.000 1.250 2231 N CA -0.183 52.951 53.050 0.140 0.000 0.946 2231 N CB 0.285 38.813 38.487 0.069 0.000 1.175 2231 N HN 0.401 nan 8.380 nan 0.000 0.477 2232 M N 0.240 119.900 119.600 0.099 0.000 2.368 2232 M HA 0.213 4.693 4.480 0.000 0.000 0.311 2232 M C -0.320 175.965 176.300 -0.026 0.000 1.168 2232 M CA -0.994 54.298 55.300 -0.014 0.000 1.044 2232 M CB 1.540 34.052 32.600 -0.146 0.000 1.506 2232 M HN 0.199 nan 8.290 nan 0.000 0.475 2233 V N 1.865 121.749 119.914 -0.050 0.000 2.389 2233 V HA 0.324 4.444 4.120 0.000 0.000 0.264 2233 V C 0.264 176.294 176.094 -0.106 0.000 1.049 2233 V CA -0.202 62.067 62.300 -0.051 0.000 0.932 2233 V CB 0.028 31.830 31.823 -0.034 0.000 1.011 2233 V HN 0.996 nan 8.190 nan 0.000 0.475 2234 T N 2.317 116.806 114.554 -0.110 0.000 2.865 2234 T HA 0.849 5.199 4.350 0.000 0.000 0.294 2234 T C -0.125 174.470 174.700 -0.176 0.000 1.119 2234 T CA -0.327 61.675 62.100 -0.164 0.000 1.007 2234 T CB 1.965 70.752 68.868 -0.136 0.000 1.225 2234 T HN 0.810 nan 8.240 nan 0.000 0.515 2235 A N 0.496 123.181 122.820 -0.225 0.000 2.327 2235 A HA 0.726 5.046 4.320 0.000 0.000 0.255 2235 A C 1.018 178.411 177.584 -0.318 0.000 1.099 2235 A CA -0.110 51.806 52.037 -0.202 0.000 0.801 2235 A CB -0.675 18.313 19.000 -0.020 0.000 1.062 2235 A HN 1.403 nan 8.150 nan 0.000 0.496 2236 G N -1.549 106.883 108.800 -0.614 0.000 2.636 2236 G HA2 0.333 4.293 3.960 0.000 0.000 0.246 2236 G HA3 0.333 4.293 3.960 0.000 0.000 0.246 2236 G C 0.450 175.170 174.900 -0.300 0.000 1.216 2236 G CA 0.113 44.778 45.100 -0.725 0.000 0.854 2236 G HN 0.908 nan 8.290 nan 0.000 0.572 2237 H N 0.770 119.746 119.070 -0.155 0.000 2.422 2237 H HA -0.083 4.473 4.556 0.000 0.000 0.298 2237 H C 2.522 177.785 175.328 -0.109 0.000 1.098 2237 H CA 1.309 57.290 56.048 -0.113 0.000 1.315 2237 H CB 0.331 30.035 29.762 -0.097 0.000 1.382 2237 H HN 0.486 nan 8.280 nan 0.000 0.523 2238 A N 0.023 122.857 122.820 0.023 0.000 2.370 2238 A HA 0.135 4.455 4.320 0.000 0.000 0.238 2238 A C 0.261 177.835 177.584 -0.016 0.000 1.289 2238 A CA -0.257 51.779 52.037 -0.002 0.000 0.885 2238 A CB -0.497 18.512 19.000 0.015 0.000 0.961 2238 A HN 0.420 nan 8.150 nan 0.000 0.499 2239 C N 1.000 120.280 119.300 -0.033 0.000 2.347 2239 C HA 0.442 4.902 4.460 0.000 0.000 0.353 2239 C C 2.151 177.147 174.990 0.009 0.000 1.273 2239 C CA 0.425 59.437 59.018 -0.009 0.000 1.861 2239 C CB -0.010 27.724 27.740 -0.010 0.000 2.420 2239 C HN 0.681 nan 8.230 nan 0.000 0.542 2240 T N 2.110 116.668 114.554 0.007 0.000 3.014 2240 T HA 0.028 4.378 4.350 0.000 0.000 0.263 2240 T C 0.591 175.270 174.700 -0.036 0.000 1.078 2240 T CA 0.529 62.621 62.100 -0.012 0.000 1.135 2240 T CB -0.159 68.701 68.868 -0.014 0.000 0.895 2240 T HN 0.773 nan 8.240 nan 0.000 0.480 2241 K N 2.229 122.608 120.400 -0.035 0.000 2.451 2241 K HA 0.224 4.544 4.320 0.000 0.000 0.280 2241 K C -0.395 176.041 176.600 -0.272 0.000 1.020 2241 K CA 0.194 56.382 56.287 -0.165 0.000 1.008 2241 K CB 0.417 32.831 32.500 -0.144 0.000 0.917 2241 K HN 0.332 nan 8.250 nan 0.000 0.478 2242 K N 2.591 122.768 120.400 -0.371 0.000 2.172 2242 K HA 0.295 4.615 4.320 0.000 0.000 0.276 2242 K C -0.972 175.308 176.600 -0.533 0.000 1.013 2242 K CA -0.407 55.707 56.287 -0.288 0.000 0.913 2242 K CB 0.703 33.105 32.500 -0.164 0.000 1.055 2242 K HN 0.348 nan 8.250 nan 0.000 0.461 2243 Y N 0.033 120.319 120.300 -0.023 0.000 2.477 2243 Y HA 0.232 4.782 4.550 0.000 0.000 0.347 2243 Y C 0.557 176.443 175.900 -0.025 0.000 0.981 2243 Y CA -1.002 57.086 58.100 -0.021 0.000 1.033 2243 Y CB 2.108 40.554 38.460 -0.023 0.000 1.245 2243 Y HN 0.661 nan 8.280 nan 0.000 0.455 2244 T N -1.188 113.437 114.554 0.118 0.000 2.847 2244 T HA 0.294 4.644 4.350 0.000 0.000 0.279 2244 T C -2.175 172.556 174.700 0.052 0.000 0.984 2244 T CA -2.038 60.098 62.100 0.059 0.000 0.988 2244 T CB 1.539 70.430 68.868 0.039 0.000 1.040 2244 T HN 0.296 nan 8.240 nan 0.000 0.528 2245 P HA -0.029 nan 4.420 nan 0.000 0.217 2245 P C 1.269 178.569 177.300 0.001 0.000 1.150 2245 P CA 0.912 64.010 63.100 -0.004 0.000 0.832 2245 P CB 0.049 31.744 31.700 -0.009 0.000 0.787 2246 E N -0.435 119.775 120.200 0.018 0.000 2.058 2246 E HA -0.208 4.142 4.350 0.000 0.000 0.194 2246 E C 2.149 178.762 176.600 0.022 0.000 0.997 2246 E CA 1.356 57.768 56.400 0.019 0.000 0.801 2246 E CB -0.751 28.965 29.700 0.025 0.000 0.746 2246 E HN 0.378 nan 8.360 nan 0.000 0.450 2247 Q N -0.211 119.618 119.800 0.047 0.000 2.046 2247 Q HA -0.091 4.249 4.340 0.000 0.000 0.200 2247 Q C 2.280 178.287 176.000 0.013 0.000 0.975 2247 Q CA 1.353 57.194 55.803 0.063 0.000 0.836 2247 Q CB -0.086 28.748 28.738 0.161 0.000 0.896 2247 Q HN 0.143 nan 8.270 nan 0.000 0.428 2248 V N 1.031 120.943 119.914 -0.004 0.000 2.392 2248 V HA -0.297 3.823 4.120 0.000 0.000 0.249 2248 V C 2.189 178.238 176.094 -0.074 0.000 1.059 2248 V CA 1.834 64.095 62.300 -0.065 0.000 1.051 2248 V CB -0.897 30.885 31.823 -0.069 0.000 0.658 2248 V HN 0.412 nan 8.190 nan 0.000 0.455 2249 A N -0.723 122.064 122.820 -0.056 0.000 1.898 2249 A HA -0.221 4.099 4.320 0.000 0.000 0.216 2249 A C 2.131 179.697 177.584 -0.029 0.000 1.181 2249 A CA 2.168 54.169 52.037 -0.059 0.000 0.620 2249 A CB -0.488 18.490 19.000 -0.037 0.000 0.819 2249 A HN 0.460 nan 8.150 nan 0.000 0.442 2250 M N 0.467 120.059 119.600 -0.014 0.000 2.067 2250 M HA -0.015 4.465 4.480 0.000 0.000 0.260 2250 M C 2.173 178.474 176.300 0.002 0.000 1.069 2250 M CA 1.880 57.177 55.300 -0.004 0.000 1.117 2250 M CB -0.780 31.825 32.600 0.008 0.000 1.334 2250 M HN 0.353 nan 8.290 nan 0.000 0.407 2251 A N -1.214 121.603 122.820 -0.005 0.000 1.908 2251 A HA -0.164 4.156 4.320 0.000 0.000 0.218 2251 A C 2.210 179.804 177.584 0.017 0.000 1.181 2251 A CA 2.386 54.424 52.037 0.002 0.000 0.627 2251 A CB -1.430 17.548 19.000 -0.037 0.000 0.818 2251 A HN 0.598 nan 8.150 nan 0.000 0.445 2252 T N -0.304 114.247 114.554 -0.005 0.000 2.668 2252 T HA -0.108 4.242 4.350 0.000 0.000 0.262 2252 T C 1.894 176.641 174.700 0.080 0.000 1.045 2252 T CA 1.709 63.819 62.100 0.016 0.000 1.152 2252 T CB -0.534 68.293 68.868 -0.069 0.000 0.864 2252 T HN 0.161 nan 8.240 nan 0.000 0.419 2253 V N 1.737 121.695 119.914 0.074 0.000 2.594 2253 V HA -0.181 3.939 4.120 0.000 0.000 0.253 2253 V C 2.706 178.870 176.094 0.117 0.000 1.069 2253 V CA 1.857 64.234 62.300 0.128 0.000 1.082 2253 V CB -1.279 30.590 31.823 0.077 0.000 0.680 2253 V HN 0.545 nan 8.190 nan 0.000 0.469 2254 T N 0.487 115.089 114.554 0.080 0.000 2.737 2254 T HA -0.114 4.236 4.350 0.000 0.000 0.265 2254 T C 2.127 177.031 174.700 0.340 0.000 1.038 2254 T CA 1.630 63.848 62.100 0.196 0.000 1.144 2254 T CB -0.378 68.570 68.868 0.134 0.000 0.866 2254 T HN 0.584 nan 8.240 nan 0.000 0.434 2255 A N 1.200 124.130 122.820 0.184 0.000 1.902 2255 A HA 0.013 4.333 4.320 0.000 0.000 0.217 2255 A C 2.303 179.969 177.584 0.137 0.000 1.181 2255 A CA 1.203 53.316 52.037 0.127 0.000 0.623 2255 A CB -0.825 18.220 19.000 0.076 0.000 0.818 2255 A HN 0.467 nan 8.150 nan 0.000 0.443 2256 L N -0.361 120.958 121.223 0.161 0.000 2.027 2256 L HA -0.187 4.153 4.340 0.000 0.000 0.206 2256 L C 2.705 179.762 176.870 0.312 0.000 1.074 2256 L CA 1.544 56.436 54.840 0.086 0.000 0.745 2256 L CB -0.955 41.038 42.059 -0.110 0.000 0.898 2256 L HN 0.751 nan 8.230 nan 0.000 0.433 2257 H N 0.533 119.813 119.070 0.350 0.000 2.545 2257 H HA -0.061 4.495 4.556 0.000 0.000 0.282 2257 H C 1.881 177.306 175.328 0.162 0.000 1.020 2257 H CA 0.911 57.175 56.048 0.361 0.000 1.243 2257 H CB -0.247 29.657 29.762 0.236 0.000 1.377 2257 H HN 0.315 nan 8.280 nan 0.000 0.581 2258 R N 0.046 120.483 120.500 -0.106 0.000 2.223 2258 R HA 0.041 4.381 4.340 0.000 0.000 0.198 2258 R C 1.778 178.031 176.300 -0.078 0.000 0.984 2258 R CA 1.262 57.244 56.100 -0.196 0.000 1.018 2258 R CB 0.436 30.654 30.300 -0.137 0.000 0.945 2258 R HN 0.573 nan 8.270 nan 0.000 0.479 2259 T N -3.140 111.397 114.554 -0.028 0.000 3.058 2259 T HA 0.181 4.531 4.350 0.000 0.000 0.247 2259 T C 0.704 175.294 174.700 -0.184 0.000 0.987 2259 T CA -0.248 61.816 62.100 -0.060 0.000 1.062 2259 T CB 0.102 68.957 68.868 -0.021 0.000 1.048 2259 T HN -0.191 nan 8.240 nan 0.000 0.468 2260 V N 4.731 124.523 119.914 -0.203 0.000 2.427 2260 V HA 0.344 4.464 4.120 0.000 0.000 0.268 2260 V C -2.376 173.665 176.094 -0.089 0.000 1.046 2260 V CA -1.898 60.126 62.300 -0.460 0.000 0.970 2260 V CB 0.457 31.962 31.823 -0.531 0.000 1.001 2260 V HN 0.278 nan 8.190 nan 0.000 0.476 2261 P HA 0.094 nan 4.420 nan 0.000 0.268 2261 P C 0.614 178.000 177.300 0.143 0.000 1.208 2261 P CA -0.017 63.057 63.100 -0.043 0.000 0.777 2261 P CB 0.727 32.367 31.700 -0.101 0.000 0.875 2262 A N 2.730 125.584 122.820 0.056 0.000 2.216 2262 A HA -0.009 4.311 4.320 0.000 0.000 0.214 2262 A C 1.962 179.563 177.584 0.029 0.000 1.160 2262 A CA 1.517 53.544 52.037 -0.017 0.000 0.725 2262 A CB -1.267 17.652 19.000 -0.135 0.000 0.784 2262 A HN 0.557 nan 8.150 nan 0.000 0.472 2263 A N -0.476 122.356 122.820 0.021 0.000 2.014 2263 A HA 0.222 4.542 4.320 0.000 0.000 0.218 2263 A C 1.002 178.582 177.584 -0.006 0.000 1.163 2263 A CA 0.648 52.672 52.037 -0.021 0.000 0.652 2263 A CB -0.431 18.538 19.000 -0.052 0.000 0.808 2263 A HN 0.275 nan 8.150 nan 0.000 0.449 2264 V N 1.560 121.516 119.914 0.070 0.000 2.439 2264 V HA 0.075 4.195 4.120 0.000 0.000 0.271 2264 V C -1.330 174.829 176.094 0.107 0.000 1.040 2264 V CA -0.706 61.634 62.300 0.067 0.000 1.002 2264 V CB 0.975 32.829 31.823 0.051 0.000 1.000 2264 V HN 0.277 nan 8.190 nan 0.000 0.477 2265 P HA -0.022 nan 4.420 nan 0.000 0.215 2265 P C 0.640 177.969 177.300 0.048 0.000 1.157 2265 P CA 1.254 64.371 63.100 0.029 0.000 0.868 2265 P CB 0.232 31.919 31.700 -0.022 0.000 0.788 2266 G N -1.774 107.016 108.800 -0.015 0.000 2.698 2266 G HA2 0.617 4.577 3.960 0.000 0.000 0.293 2266 G HA3 0.617 4.577 3.960 0.000 0.000 0.293 2266 G C -1.803 172.982 174.900 -0.193 0.000 1.437 2266 G CA -0.475 44.587 45.100 -0.063 0.000 0.852 2266 G HN -0.089 nan 8.290 nan 0.000 0.499 2267 I N 0.683 121.076 120.570 -0.296 0.000 2.420 2267 I HA 0.263 4.433 4.170 0.000 0.000 0.282 2267 I C -0.578 175.162 176.117 -0.629 0.000 1.019 2267 I CA -0.558 60.426 61.300 -0.526 0.000 1.130 2267 I CB 1.781 39.326 38.000 -0.759 0.000 1.262 2267 I HN 0.285 nan 8.210 nan 0.000 0.454 2268 C N 6.613 125.621 119.300 -0.488 0.000 2.203 2268 C HA 0.428 4.888 4.460 0.000 0.000 0.325 2268 C C 0.285 175.101 174.990 -0.291 0.000 1.156 2268 C CA -0.746 58.049 59.018 -0.371 0.000 1.597 2268 C CB -1.201 26.375 27.740 -0.274 0.000 2.148 2268 C HN 0.424 nan 8.230 nan 0.000 0.472 2269 F N 3.687 123.648 119.950 0.019 0.000 2.518 2269 F HA 0.337 4.864 4.527 0.000 0.000 0.359 2269 F C 0.732 176.685 175.800 0.254 0.000 1.118 2269 F CA -0.585 57.488 58.000 0.122 0.000 1.287 2269 F CB 0.277 39.382 39.000 0.175 0.000 1.132 2269 F HN 0.457 nan 8.300 nan 0.000 0.587 2270 L N 0.280 121.746 121.223 0.404 0.000 2.375 2270 L HA 0.497 4.837 4.340 0.000 0.000 0.271 2270 L C 0.865 177.934 176.870 0.331 0.000 1.107 2270 L CA -0.219 54.832 54.840 0.352 0.000 0.806 2270 L CB 1.030 43.207 42.059 0.197 0.000 1.146 2270 L HN 0.618 nan 8.230 nan 0.000 0.447 2271 S N 0.422 116.245 115.700 0.205 0.000 2.461 2271 S HA 0.141 4.611 4.470 0.000 0.000 0.228 2271 S C 1.422 175.978 174.600 -0.074 0.000 1.005 2271 S CA 0.162 58.280 58.200 -0.137 0.000 0.942 2271 S CB -0.884 62.040 63.200 -0.460 0.000 0.776 2271 S HN 1.637 nan 8.310 nan 0.000 0.514 2272 G N 1.617 110.423 108.800 0.010 0.000 2.366 2272 G HA2 0.072 4.032 3.960 0.000 0.000 0.299 2272 G HA3 0.072 4.032 3.960 0.000 0.000 0.299 2272 G C 0.974 175.889 174.900 0.024 0.000 1.020 2272 G CA 0.286 45.400 45.100 0.024 0.000 1.026 2272 G HN 1.740 nan 8.290 nan 0.000 0.512 2273 G N -1.335 107.448 108.800 -0.027 0.000 2.168 2273 G HA2 -0.142 3.818 3.960 0.000 0.000 0.257 2273 G HA3 -0.142 3.818 3.960 0.000 0.000 0.257 2273 G C 0.546 175.347 174.900 -0.164 0.000 0.997 2273 G CA 1.460 46.515 45.100 -0.076 0.000 0.708 2273 G HN 2.127 nan 8.290 nan 0.000 0.520 2274 M N 0.125 119.613 119.600 -0.187 0.000 2.342 2274 M HA 0.730 5.210 4.480 0.000 0.000 0.332 2274 M C 0.909 176.967 176.300 -0.403 0.000 1.166 2274 M CA -0.192 54.964 55.300 -0.241 0.000 1.086 2274 M CB 1.401 33.899 32.600 -0.169 0.000 1.541 2274 M HN 0.748 nan 8.290 nan 0.000 0.462 2275 S N 0.818 116.246 115.700 -0.454 0.000 2.559 2275 S HA 0.005 4.476 4.470 0.000 0.000 0.282 2275 S C 0.597 175.108 174.600 -0.148 0.000 1.336 2275 S CA 0.217 58.142 58.200 -0.458 0.000 1.037 2275 S CB 0.348 63.476 63.200 -0.120 0.000 0.853 2275 S HN 0.900 nan 8.310 nan 0.000 0.523 2276 E N 1.168 121.448 120.200 0.134 0.000 2.097 2276 E HA -0.248 4.102 4.350 0.000 0.000 0.196 2276 E C 1.972 178.554 176.600 -0.031 0.000 1.000 2276 E CA 1.644 58.088 56.400 0.073 0.000 0.804 2276 E CB -0.164 29.651 29.700 0.191 0.000 0.740 2276 E HN 0.922 nan 8.360 nan 0.000 0.454 2277 E N 0.798 121.008 120.200 0.017 0.000 2.023 2277 E HA -0.237 4.114 4.350 0.000 0.000 0.196 2277 E C 1.646 178.152 176.600 -0.157 0.000 1.003 2277 E CA 1.527 57.880 56.400 -0.078 0.000 0.809 2277 E CB 0.089 29.772 29.700 -0.027 0.000 0.755 2277 E HN 0.142 nan 8.360 nan 0.000 0.449 2278 D N 0.104 120.427 120.400 -0.129 0.000 2.149 2278 D HA -0.167 4.473 4.640 0.000 0.000 0.198 2278 D C 1.792 177.988 176.300 -0.174 0.000 0.990 2278 D CA 1.327 55.240 54.000 -0.144 0.000 0.839 2278 D CB -0.359 40.364 40.800 -0.128 0.000 0.948 2278 D HN 0.309 nan 8.370 nan 0.000 0.460 2279 A N 0.247 122.931 122.820 -0.226 0.000 1.933 2279 A HA -0.155 4.165 4.320 0.000 0.000 0.218 2279 A C 2.353 179.863 177.584 -0.124 0.000 1.175 2279 A CA 2.004 53.870 52.037 -0.286 0.000 0.628 2279 A CB -0.699 17.899 19.000 -0.669 0.000 0.814 2279 A HN 0.229 nan 8.150 nan 0.000 0.444 2280 T N 0.262 114.700 114.554 -0.194 0.000 2.809 2280 T HA 0.009 4.359 4.350 0.000 0.000 0.260 2280 T C 1.857 176.376 174.700 -0.301 0.000 1.039 2280 T CA 1.253 63.174 62.100 -0.298 0.000 1.141 2280 T CB -0.349 68.210 68.868 -0.515 0.000 0.869 2280 T HN 0.344 nan 8.240 nan 0.000 0.437 2281 L N 1.285 122.353 121.223 -0.258 0.000 1.994 2281 L HA -0.139 4.201 4.340 0.000 0.000 0.208 2281 L C 2.596 179.416 176.870 -0.083 0.000 1.071 2281 L CA 1.126 55.881 54.840 -0.142 0.000 0.745 2281 L CB -0.688 41.290 42.059 -0.135 0.000 0.892 2281 L HN 0.199 nan 8.230 nan 0.000 0.431 2282 N N 0.086 118.724 118.700 -0.102 0.000 2.166 2282 N HA -0.185 4.555 4.740 0.000 0.000 0.186 2282 N C 1.873 177.315 175.510 -0.112 0.000 1.019 2282 N CA 1.107 54.094 53.050 -0.105 0.000 0.856 2282 N CB -0.339 38.069 38.487 -0.133 0.000 0.993 2282 N HN 0.286 nan 8.380 nan 0.000 0.426 2283 L N 0.698 121.873 121.223 -0.079 0.000 2.027 2283 L HA -0.177 4.163 4.340 0.000 0.000 0.206 2283 L C 2.043 178.916 176.870 0.005 0.000 1.074 2283 L CA 1.277 56.101 54.840 -0.027 0.000 0.745 2283 L CB -0.280 41.815 42.059 0.060 0.000 0.898 2283 L HN 0.139 nan 8.230 nan 0.000 0.433 2284 N N 0.076 118.776 118.700 0.000 0.000 2.069 2284 N HA -0.197 4.543 4.740 0.000 0.000 0.191 2284 N C 1.776 177.320 175.510 0.056 0.000 1.031 2284 N CA 1.865 54.953 53.050 0.062 0.000 0.852 2284 N CB -0.157 38.412 38.487 0.138 0.000 1.018 2284 N HN 0.384 nan 8.380 nan 0.000 0.423 2285 A N 0.558 123.394 122.820 0.027 0.000 1.908 2285 A HA -0.112 4.208 4.320 0.000 0.000 0.218 2285 A C 2.348 179.938 177.584 0.011 0.000 1.181 2285 A CA 1.316 53.364 52.037 0.017 0.000 0.627 2285 A CB -0.887 18.112 19.000 -0.002 0.000 0.818 2285 A HN 0.434 nan 8.150 nan 0.000 0.445 2286 I N 0.020 120.582 120.570 -0.014 0.000 2.264 2286 I HA -0.250 3.920 4.170 0.000 0.000 0.248 2286 I C 1.879 178.042 176.117 0.076 0.000 1.111 2286 I CA 1.141 62.441 61.300 -0.000 0.000 1.382 2286 I CB -0.333 37.610 38.000 -0.095 0.000 1.060 2286 I HN 0.373 nan 8.210 nan 0.000 0.418 2287 N N 0.379 119.132 118.700 0.088 0.000 2.463 2287 N HA 0.034 4.774 4.740 0.000 0.000 0.181 2287 N C 1.558 177.112 175.510 0.073 0.000 1.078 2287 N CA 0.760 53.873 53.050 0.105 0.000 0.902 2287 N CB 0.377 38.932 38.487 0.114 0.000 0.970 2287 N HN 0.379 nan 8.380 nan 0.000 0.451 2288 L N -0.084 121.172 121.223 0.056 0.000 2.607 2288 L HA 0.189 4.529 4.340 0.000 0.000 0.228 2288 L C 0.730 177.617 176.870 0.028 0.000 1.123 2288 L CA -0.314 54.550 54.840 0.041 0.000 0.890 2288 L CB 0.351 42.434 42.059 0.040 0.000 1.103 2288 L HN 0.033 nan 8.230 nan 0.000 0.468 2289 C N 3.137 122.455 119.300 0.030 0.000 2.648 2289 C HA 0.137 4.597 4.460 0.000 0.000 0.415 2289 C C -0.398 174.594 174.990 0.002 0.000 1.366 2289 C CA -1.197 57.830 59.018 0.014 0.000 1.756 2289 C CB 0.276 28.026 27.740 0.017 0.000 2.549 2289 C HN 0.210 nan 8.230 nan 0.000 0.597 2290 P HA 0.010 nan 4.420 nan 0.000 0.251 2290 P C 0.069 177.345 177.300 -0.039 0.000 1.251 2290 P CA 0.774 63.863 63.100 -0.018 0.000 0.763 2290 P CB -0.064 31.629 31.700 -0.011 0.000 1.067 2291 L N 0.296 121.479 121.223 -0.065 0.000 2.454 2291 L HA 0.378 4.718 4.340 0.000 0.000 0.256 2291 L C -1.981 174.826 176.870 -0.106 0.000 1.136 2291 L CA -2.545 52.219 54.840 -0.126 0.000 0.804 2291 L CB -0.150 41.745 42.059 -0.274 0.000 1.181 2291 L HN -0.278 nan 8.230 nan 0.000 0.469 2292 P HA 0.126 nan 4.420 nan 0.000 0.271 2292 P C -1.379 175.773 177.300 -0.247 0.000 1.220 2292 P CA 0.043 63.068 63.100 -0.125 0.000 0.768 2292 P CB 0.339 32.006 31.700 -0.055 0.000 0.848 2293 K N 4.484 124.687 120.400 -0.329 0.000 2.687 2293 K HA 0.204 4.524 4.320 0.000 0.000 0.197 2293 K C -1.789 174.431 176.600 -0.633 0.000 1.049 2293 K CA -1.051 54.910 56.287 -0.542 0.000 1.030 2293 K CB 1.382 33.845 32.500 -0.062 0.000 1.261 2293 K HN 0.346 nan 8.250 nan 0.000 0.565 2294 P HA -0.079 nan 4.420 nan 0.000 0.242 2294 P C -0.698 176.319 177.300 -0.471 0.000 1.197 2294 P CA 0.336 63.031 63.100 -0.676 0.000 0.765 2294 P CB 0.220 31.523 31.700 -0.662 0.000 0.936 2295 W N 0.195 121.481 121.300 -0.023 0.000 2.719 2295 W HA 0.472 5.132 4.660 0.000 0.000 0.352 2295 W C 0.050 176.553 176.519 -0.027 0.000 1.085 2295 W CA -1.250 56.072 57.345 -0.039 0.000 1.187 2295 W CB 0.571 29.996 29.460 -0.059 0.000 1.417 2295 W HN -0.406 nan 8.180 nan 0.000 0.557 2296 K N 2.132 122.677 120.400 0.242 0.000 2.350 2296 K HA 0.325 4.645 4.320 0.000 0.000 0.279 2296 K C -0.411 176.273 176.600 0.140 0.000 1.027 2296 K CA -0.387 55.986 56.287 0.143 0.000 0.969 2296 K CB 0.974 33.504 32.500 0.051 0.000 0.954 2296 K HN 0.417 nan 8.250 nan 0.000 0.474 2297 L N 2.069 123.394 121.223 0.170 0.000 2.313 2297 L HA 0.225 4.565 4.340 0.000 0.000 0.273 2297 L C 0.509 177.501 176.870 0.204 0.000 1.028 2297 L CA -0.286 54.674 54.840 0.199 0.000 0.871 2297 L CB 1.328 43.622 42.059 0.392 0.000 1.242 2297 L HN 0.559 nan 8.230 nan 0.000 0.434 2298 S N 2.047 117.783 115.700 0.060 0.000 2.788 2298 S HA 0.794 5.264 4.470 0.000 0.000 0.291 2298 S C -0.897 173.783 174.600 0.132 0.000 1.061 2298 S CA -0.425 57.834 58.200 0.099 0.000 0.923 2298 S CB 1.203 64.336 63.200 -0.112 0.000 1.339 2298 S HN 0.315 nan 8.310 nan 0.000 0.591 2299 F N -0.128 119.683 119.950 -0.233 0.000 2.603 2299 F HA 0.836 5.363 4.527 0.000 0.000 0.317 2299 F C -0.315 175.250 175.800 -0.392 0.000 1.066 2299 F CA -1.046 56.645 58.000 -0.516 0.000 0.941 2299 F CB 1.617 39.882 39.000 -1.226 0.000 1.291 2299 F HN 0.324 nan 8.300 nan 0.000 0.472 2300 S N 1.927 117.484 115.700 -0.238 0.000 2.386 2300 S HA 0.434 4.904 4.470 0.000 0.000 0.152 2300 S C -1.720 173.033 174.600 0.254 0.000 1.511 2300 S CA -0.280 57.886 58.200 -0.057 0.000 1.246 2300 S CB -0.482 62.706 63.200 -0.020 0.000 1.338 2300 S HN 0.661 nan 8.310 nan 0.000 0.409 2301 Y N 1.313 121.786 120.300 0.289 0.000 2.334 2301 Y HA 0.545 5.095 4.550 0.000 0.000 0.328 2301 Y C 1.447 177.472 175.900 0.209 0.000 1.130 2301 Y CA -0.894 57.359 58.100 0.255 0.000 1.163 2301 Y CB 1.774 40.409 38.460 0.292 0.000 1.207 2301 Y HN 0.604 nan 8.280 nan 0.000 0.471 2302 G N 1.733 110.727 108.800 0.323 0.000 2.543 2302 G HA2 0.033 3.993 3.960 0.000 0.000 0.221 2302 G HA3 0.033 3.993 3.960 0.000 0.000 0.221 2302 G C 1.180 176.197 174.900 0.196 0.000 1.902 2302 G CA -0.274 44.958 45.100 0.219 0.000 0.838 2302 G HN 0.589 nan 8.290 nan 0.000 0.650 2303 R N 0.463 121.040 120.500 0.128 0.000 2.103 2303 R HA -0.098 4.242 4.340 0.000 0.000 0.242 2303 R C 2.777 179.164 176.300 0.145 0.000 1.142 2303 R CA 1.348 57.520 56.100 0.122 0.000 0.960 2303 R CB -0.488 29.848 30.300 0.060 0.000 0.858 2303 R HN 0.344 nan 8.270 nan 0.000 0.439 2304 A N 0.332 123.187 122.820 0.057 0.000 2.178 2304 A HA -0.087 4.233 4.320 0.000 0.000 0.218 2304 A C 1.849 179.531 177.584 0.162 0.000 1.157 2304 A CA 0.979 53.021 52.037 0.009 0.000 0.689 2304 A CB -0.132 18.653 19.000 -0.358 0.000 0.787 2304 A HN 0.253 nan 8.150 nan 0.000 0.465 2305 L N -2.363 119.025 121.223 0.276 0.000 2.701 2305 L HA 0.116 4.456 4.340 0.000 0.000 0.238 2305 L C 1.826 178.934 176.870 0.396 0.000 1.106 2305 L CA 0.398 55.457 54.840 0.364 0.000 0.898 2305 L CB 0.212 42.561 42.059 0.483 0.000 1.188 2305 L HN 0.457 nan 8.230 nan 0.000 0.508 2306 Q N -1.323 118.664 119.800 0.311 0.000 2.211 2306 Q HA 0.222 4.562 4.340 0.000 0.000 0.242 2306 Q C 2.049 178.210 176.000 0.268 0.000 0.825 2306 Q CA 0.510 56.495 55.803 0.304 0.000 0.951 2306 Q CB 0.755 29.662 28.738 0.282 0.000 1.130 2306 Q HN 0.353 nan 8.270 nan 0.000 0.496 2307 A N 1.236 124.199 122.820 0.238 0.000 1.884 2307 A HA -0.268 4.052 4.320 0.000 0.000 0.219 2307 A C 2.202 179.856 177.584 0.116 0.000 1.197 2307 A CA 2.316 54.474 52.037 0.201 0.000 0.637 2307 A CB -0.692 18.504 19.000 0.327 0.000 0.827 2307 A HN 0.253 nan 8.150 nan 0.000 0.450 2308 S N -0.426 115.341 115.700 0.113 0.000 2.355 2308 S HA 0.019 4.489 4.470 0.000 0.000 0.222 2308 S C 2.347 177.039 174.600 0.154 0.000 1.031 2308 S CA 1.164 59.414 58.200 0.084 0.000 0.993 2308 S CB -0.566 62.681 63.200 0.077 0.000 0.859 2308 S HN 0.847 nan 8.310 nan 0.000 0.453 2309 A N 1.565 124.524 122.820 0.231 0.000 1.908 2309 A HA -0.070 4.250 4.320 0.000 0.000 0.218 2309 A C 2.137 179.963 177.584 0.404 0.000 1.181 2309 A CA 1.235 53.448 52.037 0.293 0.000 0.627 2309 A CB -0.820 18.349 19.000 0.282 0.000 0.818 2309 A HN 0.444 nan 8.150 nan 0.000 0.445 2310 L N -0.926 120.506 121.223 0.348 0.000 1.994 2310 L HA -0.213 4.127 4.340 0.000 0.000 0.208 2310 L C 3.074 180.053 176.870 0.182 0.000 1.071 2310 L CA 1.425 56.350 54.840 0.142 0.000 0.745 2310 L CB -0.533 41.459 42.059 -0.112 0.000 0.892 2310 L HN 0.464 nan 8.230 nan 0.000 0.431 2311 A N -0.528 122.360 122.820 0.113 0.000 1.972 2311 A HA -0.179 4.141 4.320 0.000 0.000 0.219 2311 A C 2.338 179.978 177.584 0.093 0.000 1.169 2311 A CA 1.708 53.784 52.037 0.065 0.000 0.635 2311 A CB -0.592 18.413 19.000 0.008 0.000 0.810 2311 A HN 0.521 nan 8.150 nan 0.000 0.446 2312 A N -1.944 120.966 122.820 0.150 0.000 2.016 2312 A HA 0.011 4.331 4.320 0.000 0.000 0.217 2312 A C 1.859 179.577 177.584 0.222 0.000 1.162 2312 A CA 1.281 53.409 52.037 0.151 0.000 0.662 2312 A CB -0.636 18.455 19.000 0.151 0.000 0.812 2312 A HN 0.814 nan 8.150 nan 0.000 0.450 2313 W N 0.344 121.695 121.300 0.085 0.000 2.380 2313 W HA 0.129 4.789 4.660 0.000 0.000 0.317 2313 W C 1.725 178.269 176.519 0.042 0.000 1.196 2313 W CA 2.248 59.650 57.345 0.095 0.000 1.307 2313 W CB -0.657 28.917 29.460 0.189 0.000 1.157 2313 W HN 0.678 nan 8.180 nan 0.000 0.483 2314 G N -0.520 108.228 108.800 -0.086 0.000 2.175 2314 G HA2 -0.141 3.819 3.960 0.000 0.000 0.265 2314 G HA3 -0.141 3.819 3.960 0.000 0.000 0.265 2314 G C 1.367 175.837 174.900 -0.717 0.000 0.979 2314 G CA 1.363 46.273 45.100 -0.316 0.000 0.663 2314 G HN 1.629 nan 8.290 nan 0.000 0.533 2315 G N -1.310 106.472 108.800 -1.697 0.000 2.217 2315 G HA2 -0.250 3.710 3.960 0.000 0.000 0.246 2315 G HA3 -0.250 3.710 3.960 0.000 0.000 0.246 2315 G C 0.311 174.592 174.900 -1.031 0.000 0.990 2315 G CA 0.998 44.977 45.100 -1.868 0.000 0.627 2315 G HN 1.099 nan 8.290 nan 0.000 0.522 2316 K N 0.757 120.731 120.400 -0.710 0.000 2.258 2316 K HA 0.652 4.972 4.320 0.000 0.000 0.284 2316 K C 1.504 178.097 176.600 -0.011 0.000 1.051 2316 K CA 0.081 56.218 56.287 -0.250 0.000 0.923 2316 K CB 1.468 33.879 32.500 -0.148 0.000 1.046 2316 K HN 0.312 nan 8.250 nan 0.000 0.474 2317 A N 3.678 126.559 122.820 0.101 0.000 2.019 2317 A HA -0.208 4.112 4.320 0.000 0.000 0.219 2317 A C 1.878 179.558 177.584 0.161 0.000 1.164 2317 A CA 1.567 53.730 52.037 0.210 0.000 0.644 2317 A CB -0.496 18.593 19.000 0.148 0.000 0.805 2317 A HN 0.945 nan 8.150 nan 0.000 0.449 2318 E N -0.352 119.906 120.200 0.097 0.000 2.338 2318 E HA -0.147 4.203 4.350 0.000 0.000 0.197 2318 E C 0.354 177.013 176.600 0.099 0.000 1.007 2318 E CA 1.042 57.489 56.400 0.079 0.000 0.849 2318 E CB -0.350 29.377 29.700 0.044 0.000 0.774 2318 E HN 0.433 nan 8.360 nan 0.000 0.506 2319 N N 1.171 119.957 118.700 0.143 0.000 2.322 2319 N HA 0.025 4.765 4.740 0.000 0.000 0.216 2319 N C 0.819 176.459 175.510 0.217 0.000 1.144 2319 N CA 0.157 53.309 53.050 0.171 0.000 0.830 2319 N CB 0.409 39.003 38.487 0.178 0.000 1.034 2319 N HN 0.272 nan 8.380 nan 0.000 0.484 2320 K N 1.264 121.774 120.400 0.182 0.000 2.044 2320 K HA -0.175 4.145 4.320 0.000 0.000 0.210 2320 K C 1.334 177.986 176.600 0.087 0.000 1.049 2320 K CA 1.485 57.846 56.287 0.124 0.000 0.927 2320 K CB 0.238 32.790 32.500 0.087 0.000 0.713 2320 K HN -0.046 nan 8.250 nan 0.000 0.443 2321 K N 0.207 120.658 120.400 0.084 0.000 1.985 2321 K HA -0.105 4.215 4.320 0.000 0.000 0.210 2321 K C 2.072 178.721 176.600 0.081 0.000 1.047 2321 K CA 1.600 57.929 56.287 0.071 0.000 0.932 2321 K CB -0.388 32.149 32.500 0.060 0.000 0.716 2321 K HN 0.255 nan 8.250 nan 0.000 0.439 2322 A N 0.501 123.376 122.820 0.091 0.000 2.024 2322 A HA -0.197 4.123 4.320 0.000 0.000 0.220 2322 A C 2.148 179.804 177.584 0.120 0.000 1.164 2322 A CA 2.245 54.340 52.037 0.096 0.000 0.643 2322 A CB -1.030 18.027 19.000 0.094 0.000 0.806 2322 A HN 0.351 nan 8.150 nan 0.000 0.451 2323 T N -0.213 114.424 114.554 0.138 0.000 2.812 2323 T HA -0.118 4.232 4.350 0.000 0.000 0.264 2323 T C 2.072 176.839 174.700 0.112 0.000 1.042 2323 T CA 1.512 63.699 62.100 0.146 0.000 1.140 2323 T CB -0.189 68.763 68.868 0.141 0.000 0.870 2323 T HN 0.636 nan 8.240 nan 0.000 0.445 2324 Q N 0.796 120.648 119.800 0.086 0.000 2.046 2324 Q HA -0.082 4.258 4.340 0.000 0.000 0.200 2324 Q C 2.378 178.466 176.000 0.147 0.000 0.975 2324 Q CA 1.144 57.019 55.803 0.120 0.000 0.836 2324 Q CB -0.148 28.636 28.738 0.077 0.000 0.896 2324 Q HN 0.615 nan 8.270 nan 0.000 0.428 2325 E N 0.889 121.150 120.200 0.101 0.000 2.077 2325 E HA -0.190 4.160 4.350 0.000 0.000 0.193 2325 E C 2.020 178.670 176.600 0.083 0.000 0.989 2325 E CA 0.947 57.393 56.400 0.075 0.000 0.800 2325 E CB -0.143 29.594 29.700 0.061 0.000 0.746 2325 E HN 0.333 nan 8.360 nan 0.000 0.452 2326 A N 1.171 124.060 122.820 0.115 0.000 1.883 2326 A HA -0.210 4.110 4.320 0.000 0.000 0.217 2326 A C 2.006 179.689 177.584 0.164 0.000 1.186 2326 A CA 1.311 53.423 52.037 0.126 0.000 0.624 2326 A CB -0.860 18.226 19.000 0.143 0.000 0.822 2326 A HN 0.394 nan 8.150 nan 0.000 0.444 2327 F N 0.161 120.139 119.950 0.047 0.000 2.075 2327 F HA -0.208 4.319 4.527 0.000 0.000 0.297 2327 F C 2.368 178.199 175.800 0.052 0.000 1.113 2327 F CA 2.113 60.141 58.000 0.047 0.000 1.218 2327 F CB -0.194 38.807 39.000 0.001 0.000 0.984 2327 F HN 0.145 nan 8.300 nan 0.000 0.472 2328 M N 0.247 119.696 119.600 -0.252 0.000 2.202 2328 M HA -0.213 4.267 4.480 0.000 0.000 0.262 2328 M C 2.101 178.288 176.300 -0.188 0.000 1.063 2328 M CA 1.770 56.874 55.300 -0.327 0.000 1.097 2328 M CB -0.445 32.082 32.600 -0.121 0.000 1.382 2328 M HN 0.081 nan 8.290 nan 0.000 0.413 2329 K N 0.756 121.111 120.400 -0.076 0.000 2.026 2329 K HA -0.140 4.180 4.320 0.000 0.000 0.208 2329 K C 1.912 178.490 176.600 -0.036 0.000 1.048 2329 K CA 1.582 57.855 56.287 -0.023 0.000 0.929 2329 K CB -0.076 32.439 32.500 0.025 0.000 0.713 2329 K HN 0.063 nan 8.250 nan 0.000 0.439 2330 R N 0.240 120.718 120.500 -0.037 0.000 2.115 2330 R HA 0.078 4.418 4.340 0.000 0.000 0.230 2330 R C 2.278 178.515 176.300 -0.106 0.000 1.111 2330 R CA 1.266 57.347 56.100 -0.031 0.000 0.976 2330 R CB -1.227 29.113 30.300 0.066 0.000 0.870 2330 R HN 0.387 nan 8.270 nan 0.000 0.445 2331 A N 1.072 123.774 122.820 -0.197 0.000 1.972 2331 A HA -0.116 4.204 4.320 0.000 0.000 0.219 2331 A C 2.319 179.847 177.584 -0.093 0.000 1.169 2331 A CA 1.800 53.731 52.037 -0.177 0.000 0.635 2331 A CB -0.561 18.190 19.000 -0.415 0.000 0.810 2331 A HN 0.197 nan 8.150 nan 0.000 0.446 2332 V N -1.289 118.571 119.914 -0.091 0.000 2.407 2332 V HA -0.112 4.008 4.120 0.000 0.000 0.245 2332 V C 2.341 178.429 176.094 -0.010 0.000 1.041 2332 V CA 1.657 63.939 62.300 -0.030 0.000 1.040 2332 V CB -1.377 30.438 31.823 -0.014 0.000 0.671 2332 V HN 0.573 nan 8.190 nan 0.000 0.455 2333 V N -0.855 119.048 119.914 -0.018 0.000 2.626 2333 V HA -0.090 4.030 4.120 0.000 0.000 0.252 2333 V C 2.349 178.349 176.094 -0.157 0.000 1.067 2333 V CA 2.321 64.632 62.300 0.019 0.000 1.081 2333 V CB -1.485 30.365 31.823 0.044 0.000 0.686 2333 V HN 0.531 nan 8.190 nan 0.000 0.468 2334 N N -0.170 118.351 118.700 -0.297 0.000 2.354 2334 N HA -0.077 4.663 4.740 0.000 0.000 0.179 2334 N C 1.792 177.029 175.510 -0.455 0.000 1.021 2334 N CA 1.583 54.272 53.050 -0.601 0.000 0.887 2334 N CB -0.281 37.514 38.487 -1.152 0.000 0.974 2334 N HN 0.686 nan 8.380 nan 0.000 0.437 2335 C N 1.115 120.339 119.300 -0.126 0.000 2.467 2335 C HA 0.067 4.527 4.460 0.000 0.000 0.279 2335 C C 2.463 177.508 174.990 0.091 0.000 1.347 2335 C CA 0.552 59.650 59.018 0.133 0.000 1.748 2335 C CB -0.676 27.146 27.740 0.137 0.000 1.977 2335 C HN 0.405 nan 8.230 nan 0.000 0.501 2336 Q N 0.637 120.476 119.800 0.065 0.000 2.046 2336 Q HA -0.062 4.278 4.340 0.000 0.000 0.200 2336 Q C 2.588 178.663 176.000 0.125 0.000 0.975 2336 Q CA 1.734 57.606 55.803 0.115 0.000 0.836 2336 Q CB -0.374 28.478 28.738 0.189 0.000 0.896 2336 Q HN 0.758 nan 8.270 nan 0.000 0.428 2337 A N 1.311 124.175 122.820 0.074 0.000 1.940 2337 A HA -0.170 4.150 4.320 0.000 0.000 0.219 2337 A C 2.254 179.885 177.584 0.078 0.000 1.176 2337 A CA 1.667 53.732 52.037 0.047 0.000 0.631 2337 A CB -0.767 18.153 19.000 -0.135 0.000 0.814 2337 A HN 0.405 nan 8.150 nan 0.000 0.446 2338 A N -1.051 121.828 122.820 0.099 0.000 2.172 2338 A HA -0.038 4.282 4.320 0.000 0.000 0.216 2338 A C 1.864 179.528 177.584 0.133 0.000 1.154 2338 A CA 1.520 53.656 52.037 0.166 0.000 0.701 2338 A CB -0.238 18.918 19.000 0.259 0.000 0.789 2338 A HN 0.544 nan 8.150 nan 0.000 0.465 2339 K N -1.903 118.564 120.400 0.111 0.000 2.374 2339 K HA 0.277 4.597 4.320 0.000 0.000 0.202 2339 K C 0.941 177.592 176.600 0.086 0.000 1.040 2339 K CA 0.392 56.734 56.287 0.090 0.000 1.085 2339 K CB 0.413 32.960 32.500 0.077 0.000 0.873 2339 K HN 0.517 nan 8.250 nan 0.000 0.539 2340 G N 2.163 111.022 108.800 0.099 0.000 2.168 2340 G HA2 -0.326 3.634 3.960 0.000 0.000 0.257 2340 G HA3 -0.326 3.634 3.960 0.000 0.000 0.257 2340 G C 0.362 175.318 174.900 0.093 0.000 0.997 2340 G CA 0.353 45.510 45.100 0.095 0.000 0.708 2340 G HN 0.426 nan 8.290 nan 0.000 0.520 2341 Q N -1.096 118.765 119.800 0.102 0.000 2.201 2341 Q HA 0.317 4.657 4.340 0.000 0.000 0.217 2341 Q C 0.051 176.108 176.000 0.095 0.000 0.860 2341 Q CA -0.468 55.381 55.803 0.078 0.000 0.984 2341 Q CB 0.470 29.245 28.738 0.062 0.000 1.095 2341 Q HN 0.613 nan 8.270 nan 0.000 0.477 2342 Y N 1.133 121.447 120.300 0.023 0.000 2.320 2342 Y HA 0.360 4.910 4.550 0.000 0.000 0.334 2342 Y C -0.447 175.477 175.900 0.039 0.000 1.055 2342 Y CA -1.255 56.861 58.100 0.027 0.000 1.143 2342 Y CB 0.886 39.356 38.460 0.017 0.000 1.193 2342 Y HN -0.114 nan 8.280 nan 0.000 0.477 2343 V N 3.667 123.096 119.914 -0.809 0.000 2.531 2343 V HA 0.454 4.574 4.120 0.000 0.000 0.301 2343 V C -1.385 174.304 176.094 -0.674 0.000 1.034 2343 V CA -0.754 61.236 62.300 -0.516 0.000 0.865 2343 V CB 1.235 32.909 31.823 -0.248 0.000 0.995 2343 V HN 0.900 nan 8.190 nan 0.000 0.424 2344 H N 3.516 122.342 119.070 -0.407 0.000 2.504 2344 H HA 0.644 5.200 4.556 0.000 0.000 0.322 2344 H C 0.394 175.674 175.328 -0.079 0.000 1.055 2344 H CA 0.295 56.247 56.048 -0.160 0.000 1.231 2344 H CB 1.544 31.386 29.762 0.133 0.000 1.417 2344 H HN 1.001 nan 8.280 nan 0.000 0.472 2345 T N 2.542 116.903 114.554 -0.322 0.000 2.863 2345 T HA 0.578 4.928 4.350 0.000 0.000 0.299 2345 T C 0.345 174.872 174.700 -0.287 0.000 0.973 2345 T CA -0.190 61.776 62.100 -0.224 0.000 0.994 2345 T CB -0.029 68.734 68.868 -0.174 0.000 0.961 2345 T HN 0.819 nan 8.240 nan 0.000 0.552 2346 G N 1.379 110.091 108.800 -0.145 0.000 2.146 2346 G HA2 0.409 4.369 3.960 0.000 0.000 0.261 2346 G HA3 0.409 4.369 3.960 0.000 0.000 0.261 2346 G C -1.015 173.916 174.900 0.052 0.000 1.745 2346 G CA -1.000 44.057 45.100 -0.071 0.000 0.905 2346 G HN 0.623 nan 8.290 nan 0.000 0.746 2347 S N 0.223 115.945 115.700 0.036 0.000 2.482 2347 S HA 0.933 5.403 4.470 0.000 0.000 0.303 2347 S C -0.016 174.609 174.600 0.043 0.000 1.091 2347 S CA -0.111 58.118 58.200 0.048 0.000 1.057 2347 S CB 1.863 65.081 63.200 0.029 0.000 1.031 2347 S HN 1.654 nan 8.310 nan 0.000 0.485 2348 S N 1.694 117.422 115.700 0.046 0.000 2.636 2348 S HA 0.799 5.269 4.470 0.000 0.000 0.266 2348 S C 0.027 174.641 174.600 0.023 0.000 1.147 2348 S CA -0.030 58.190 58.200 0.033 0.000 0.815 2348 S CB 0.831 64.056 63.200 0.041 0.000 1.119 2348 S HN 0.783 nan 8.310 nan 0.000 0.470 2349 G N 0.883 109.689 108.800 0.011 0.000 2.844 2349 G HA2 0.692 4.652 3.960 0.000 0.000 0.204 2349 G HA3 0.692 4.652 3.960 0.000 0.000 0.204 2349 G C -0.318 174.579 174.900 -0.005 0.000 1.815 2349 G CA 0.164 45.264 45.100 -0.000 0.000 0.739 2349 G HN 1.502 nan 8.290 nan 0.000 0.807 2350 A N -0.715 122.097 122.820 -0.014 0.000 2.323 2350 A HA 0.837 5.157 4.320 0.000 0.000 0.305 2350 A C 0.207 177.783 177.584 -0.013 0.000 1.275 2350 A CA 0.685 52.712 52.037 -0.017 0.000 0.804 2350 A CB 0.846 19.828 19.000 -0.029 0.000 1.152 2350 A HN 1.920 nan 8.150 nan 0.000 0.487 2351 A N 1.420 124.236 122.820 -0.007 0.000 2.942 2351 A HA 0.566 4.886 4.320 0.000 0.000 0.188 2351 A C 0.392 177.976 177.584 -0.000 0.000 1.448 2351 A CA 0.875 52.909 52.037 -0.005 0.000 1.639 2351 A CB -0.727 18.271 19.000 -0.003 0.000 1.513 2351 A HN 2.142 nan 8.150 nan 0.000 0.640 2352 S N 0.746 116.449 115.700 0.006 0.000 2.543 2352 S HA 0.545 5.015 4.470 0.000 0.000 0.271 2352 S C -0.614 173.998 174.600 0.019 0.000 1.148 2352 S CA 1.006 59.212 58.200 0.010 0.000 0.914 2352 S CB 0.919 64.124 63.200 0.008 0.000 1.096 2352 S HN 2.021 nan 8.310 nan 0.000 0.471 2353 T N 1.889 116.455 114.554 0.020 0.000 1.137 2353 T HA -0.182 4.168 4.350 0.000 0.000 0.704 2353 T C -0.198 174.527 174.700 0.042 0.000 0.977 2353 T CA 1.285 63.401 62.100 0.027 0.000 3.728 2353 T CB -1.566 67.316 68.868 0.023 0.000 2.113 2353 T HN 1.041 nan 8.240 nan 0.000 0.377 2354 Q N 1.571 121.396 119.800 0.041 0.000 2.855 2354 Q HA 0.453 4.793 4.340 0.000 0.000 0.297 2354 Q C 1.371 177.397 176.000 0.043 0.000 0.740 2354 Q CA 0.365 56.202 55.803 0.056 0.000 1.027 2354 Q CB 0.229 29.008 28.738 0.068 0.000 1.482 2354 Q HN 0.764 nan 8.270 nan 0.000 0.373 2355 S N 0.231 115.947 115.700 0.028 0.000 2.481 2355 S HA -0.158 4.312 4.470 0.000 0.000 0.253 2355 S C 1.183 175.786 174.600 0.005 0.000 0.998 2355 S CA 1.126 59.337 58.200 0.018 0.000 0.972 2355 S CB -0.019 63.188 63.200 0.011 0.000 0.751 2355 S HN 0.624 nan 8.310 nan 0.000 0.515 2356 L N -0.004 121.216 121.223 -0.005 0.000 2.629 2356 L HA 0.551 4.891 4.340 0.000 0.000 0.230 2356 L C -0.120 176.658 176.870 -0.153 0.000 1.151 2356 L CA 0.551 55.333 54.840 -0.096 0.000 0.924 2356 L CB -0.627 41.358 42.059 -0.123 0.000 1.137 2356 L HN 0.513 nan 8.230 nan 0.000 0.457 2357 F N -2.240 117.696 119.950 -0.024 0.000 2.653 2357 F HA -0.124 4.403 4.527 0.000 0.000 0.406 2357 F C 1.451 177.202 175.800 -0.082 0.000 1.083 2357 F CA -0.133 57.833 58.000 -0.056 0.000 1.030 2357 F CB -0.567 38.402 39.000 -0.050 0.000 2.235 2357 F HN -0.226 nan 8.300 nan 0.000 0.431 2358 T N 1.529 116.140 114.554 0.095 0.000 2.602 2358 T HA -0.177 4.173 4.350 0.000 0.000 0.264 2358 T C 0.691 175.368 174.700 -0.038 0.000 1.085 2358 T CA 1.980 64.090 62.100 0.017 0.000 1.164 2358 T CB -0.172 68.696 68.868 0.000 0.000 0.860 2358 T HN 0.687 nan 8.240 nan 0.000 0.442 2359 A N -0.129 122.625 122.820 -0.110 0.000 1.652 2359 A HA 0.483 4.803 4.320 0.000 0.000 0.247 2359 A C 0.033 177.300 177.584 -0.527 0.000 0.963 2359 A CA -0.342 51.553 52.037 -0.236 0.000 0.787 2359 A CB -0.020 18.866 19.000 -0.189 0.000 0.749 2359 A HN 0.228 nan 8.150 nan 0.000 0.327 2360 S N 0.210 115.635 115.700 -0.458 0.000 2.527 2360 S HA 0.128 4.598 4.470 0.000 0.000 0.274 2360 S C 0.516 174.670 174.600 -0.743 0.000 1.349 2360 S CA 1.000 58.882 58.200 -0.530 0.000 1.011 2360 S CB -0.062 62.929 63.200 -0.349 0.000 0.837 2360 S HN 0.813 nan 8.310 nan 0.000 0.524 2361 Y N 1.432 121.657 120.300 -0.126 0.000 2.658 2361 Y HA 0.242 4.792 4.550 0.000 0.000 0.276 2361 Y C 1.210 176.955 175.900 -0.259 0.000 1.167 2361 Y CA -0.004 58.002 58.100 -0.156 0.000 1.230 2361 Y CB -0.848 37.558 38.460 -0.091 0.000 1.144 2361 Y HN 0.744 nan 8.280 nan 0.000 0.529 2362 T N -0.972 113.407 114.554 -0.292 0.000 0.541 2362 T HA -0.320 4.030 4.350 0.000 0.000 0.774 2362 T C -0.756 173.826 174.700 -0.196 0.000 0.992 2362 T CA 0.247 62.069 62.100 -0.464 0.000 4.077 2362 T CB -0.718 67.666 68.868 -0.807 0.000 2.303 2362 T HN 0.363 nan 8.240 nan 0.000 0.398 2363 Y N 0.000 120.221 120.300 -0.131 0.000 2.660 2363 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 2363 Y CA 0.000 58.074 58.100 -0.044 0.000 1.940 2363 Y CB 0.000 38.448 38.460 -0.020 0.000 1.050 2363 Y HN 0.000 nan 8.280 nan 0.000 0.758