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 3dkb_1_C DATA FIRST_RESID 2003 DATA SEQUENCE EQVLPQALYL SNMRKAVKIR ERTPEDIFKP TNGIIHHFKT MHRYTLEMFR DATA SEQUENCE TCQFCPQFRE IIHKALIDRN IQATLESQKK LNWCREVRKL VALKTNGDGN DATA SEQUENCE CLMHATSQYM WGVQDTDLVL RKALFSTLKE TDTRNFKFRW QLESLKSQEF DATA SEQUENCE VEXXXXYDTR NWNDEWDNLI KMASTDTPMA RSGLQYNSLE EIHIFVLCNI DATA SEQUENCE LRRPIIVISD KMLRSLESGX XXXPLKVGGI YLPLHWPAQE CYRYPIVLGY DATA SEQUENCE DSHHFVPLVT LKDSGPEIRA VPLVNRDRGR FEDLKVHFLT DPENEMKEKL DATA SEQUENCE LKEYLMVIEI PVQGWDHGTT HLINAAKLDE ANLPKEINLV DDYFELVQHE DATA SEQUENCE YKKWQENSEQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2003 E HA 0.000 nan 4.350 nan 0.000 0.291 2003 E C 0.000 176.635 176.600 0.058 0.000 1.382 2003 E CA 0.000 56.430 56.400 0.050 0.000 0.976 2003 E CB 0.000 29.726 29.700 0.043 0.000 0.812 2004 Q N 0.932 120.780 119.800 0.080 0.000 2.608 2004 Q HA 0.069 4.410 4.340 0.001 0.000 0.301 2004 Q C -0.190 175.836 176.000 0.043 0.000 1.257 2004 Q CA 0.302 56.155 55.803 0.083 0.000 1.044 2004 Q CB -0.112 28.677 28.738 0.085 0.000 1.232 2004 Q HN 0.355 nan 8.270 nan 0.000 0.448 2005 V N 5.432 125.369 119.914 0.038 0.000 2.242 2005 V HA 0.130 4.250 4.120 0.001 0.000 0.242 2005 V C -0.913 175.176 176.094 -0.008 0.000 1.240 2005 V CA -0.204 62.104 62.300 0.014 0.000 1.211 2005 V CB -0.217 31.612 31.823 0.010 0.000 1.338 2005 V HN 0.518 nan 8.190 nan 0.000 0.499 2006 L N 10.013 131.233 121.223 -0.005 0.000 2.353 2006 L HA 0.650 4.991 4.340 0.001 0.000 0.270 2006 L C -1.910 174.977 176.870 0.027 0.000 1.003 2006 L CA -1.996 52.837 54.840 -0.012 0.000 0.862 2006 L CB 1.659 43.743 42.059 0.041 0.000 1.221 2006 L HN 0.411 nan 8.230 nan 0.000 0.430 2007 P HA -0.165 nan 4.420 nan 0.000 0.266 2007 P C 0.106 177.484 177.300 0.130 0.000 1.162 2007 P CA 0.293 63.393 63.100 -0.000 0.000 0.758 2007 P CB 0.707 32.339 31.700 -0.113 0.000 0.774 2008 Q N 0.766 120.587 119.800 0.035 0.000 2.378 2008 Q HA 0.069 4.410 4.340 0.001 0.000 0.205 2008 Q C 0.271 176.254 176.000 -0.028 0.000 0.954 2008 Q CA 0.679 56.493 55.803 0.019 0.000 0.901 2008 Q CB 0.196 28.935 28.738 0.002 0.000 0.981 2008 Q HN 0.649 nan 8.270 nan 0.000 0.483 2009 A N -0.606 122.142 122.820 -0.119 0.000 2.515 2009 A HA 0.407 4.727 4.320 0.001 0.000 0.296 2009 A C 0.283 177.769 177.584 -0.164 0.000 1.094 2009 A CA -0.618 51.246 52.037 -0.289 0.000 0.718 2009 A CB 0.822 19.334 19.000 -0.814 0.000 1.307 2009 A HN 0.259 nan 8.150 nan 0.000 0.408 2010 L N 0.068 121.247 121.223 -0.072 0.000 2.131 2010 L HA -0.177 4.163 4.340 0.001 0.000 0.210 2010 L C 2.293 179.265 176.870 0.170 0.000 1.092 2010 L CA 1.865 56.816 54.840 0.185 0.000 0.759 2010 L CB -0.555 41.576 42.059 0.121 0.000 0.903 2010 L HN 1.012 nan 8.230 nan 0.000 0.435 2011 Y N -2.029 118.373 120.300 0.170 0.000 2.509 2011 Y HA -0.051 4.500 4.550 0.001 0.000 0.293 2011 Y C 2.041 177.994 175.900 0.090 0.000 1.133 2011 Y CA 0.410 58.579 58.100 0.115 0.000 1.283 2011 Y CB -0.888 37.623 38.460 0.085 0.000 1.001 2011 Y HN 0.014 nan 8.280 nan 0.000 0.555 2012 L N 0.691 121.861 121.223 -0.087 0.000 2.395 2012 L HA -0.110 4.230 4.340 0.001 0.000 0.218 2012 L C 2.450 179.311 176.870 -0.014 0.000 1.130 2012 L CA 1.186 56.030 54.840 0.007 0.000 0.826 2012 L CB -0.534 41.463 42.059 -0.103 0.000 0.941 2012 L HN 0.495 nan 8.230 nan 0.000 0.451 2013 S N -0.828 114.846 115.700 -0.044 0.000 2.469 2013 S HA -0.144 4.327 4.470 0.001 0.000 0.238 2013 S C 0.953 175.540 174.600 -0.021 0.000 0.998 2013 S CA 0.726 58.863 58.200 -0.106 0.000 0.957 2013 S CB -0.174 62.964 63.200 -0.103 0.000 0.764 2013 S HN 0.518 nan 8.310 nan 0.000 0.514 2014 N N -0.338 118.386 118.700 0.039 0.000 3.153 2014 N HA 0.190 4.930 4.740 0.001 0.000 0.208 2014 N C 0.114 175.669 175.510 0.075 0.000 1.462 2014 N CA -0.133 52.943 53.050 0.043 0.000 0.754 2014 N CB 0.122 38.632 38.487 0.038 0.000 1.558 2014 N HN 0.171 nan 8.380 nan 0.000 0.605 2015 M N 0.242 119.889 119.600 0.078 0.000 2.202 2015 M HA -0.134 4.346 4.480 0.001 0.000 0.262 2015 M C 2.034 178.365 176.300 0.051 0.000 1.063 2015 M CA 1.208 56.563 55.300 0.092 0.000 1.097 2015 M CB -0.046 32.601 32.600 0.078 0.000 1.382 2015 M HN 0.363 nan 8.290 nan 0.000 0.413 2016 R N 1.263 121.783 120.500 0.033 0.000 2.070 2016 R HA -0.162 4.179 4.340 0.001 0.000 0.233 2016 R C 1.938 178.245 176.300 0.011 0.000 1.137 2016 R CA 1.814 57.923 56.100 0.015 0.000 0.945 2016 R CB -0.555 29.750 30.300 0.008 0.000 0.845 2016 R HN 0.345 nan 8.270 nan 0.000 0.430 2017 K N -0.116 120.295 120.400 0.018 0.000 2.097 2017 K HA -0.081 4.239 4.320 0.001 0.000 0.206 2017 K C 1.936 178.542 176.600 0.010 0.000 1.049 2017 K CA 1.339 57.632 56.287 0.010 0.000 0.933 2017 K CB -0.153 32.358 32.500 0.019 0.000 0.717 2017 K HN 0.223 nan 8.250 nan 0.000 0.442 2018 A N 0.653 123.497 122.820 0.039 0.000 1.940 2018 A HA -0.132 4.188 4.320 0.001 0.000 0.219 2018 A C 2.179 179.753 177.584 -0.017 0.000 1.176 2018 A CA 1.756 53.814 52.037 0.036 0.000 0.631 2018 A CB -0.606 18.444 19.000 0.083 0.000 0.814 2018 A HN 0.185 nan 8.150 nan 0.000 0.446 2019 V N 0.165 120.070 119.914 -0.015 0.000 2.515 2019 V HA -0.242 3.878 4.120 0.001 0.000 0.250 2019 V C 2.473 178.539 176.094 -0.047 0.000 1.058 2019 V CA 2.236 64.517 62.300 -0.033 0.000 1.064 2019 V CB -0.667 31.144 31.823 -0.021 0.000 0.675 2019 V HN 0.704 nan 8.190 nan 0.000 0.461 2020 K N 0.375 120.750 120.400 -0.042 0.000 2.026 2020 K HA -0.176 4.145 4.320 0.001 0.000 0.208 2020 K C 2.114 178.661 176.600 -0.088 0.000 1.048 2020 K CA 1.870 58.124 56.287 -0.055 0.000 0.929 2020 K CB -0.245 32.229 32.500 -0.044 0.000 0.713 2020 K HN 0.413 nan 8.250 nan 0.000 0.439 2021 I N 0.757 121.265 120.570 -0.103 0.000 2.179 2021 I HA -0.268 3.902 4.170 0.001 0.000 0.242 2021 I C 2.345 178.330 176.117 -0.221 0.000 1.088 2021 I CA 1.344 62.538 61.300 -0.176 0.000 1.357 2021 I CB -0.237 37.673 38.000 -0.149 0.000 1.051 2021 I HN 0.159 nan 8.210 nan 0.000 0.409 2022 R N 0.538 120.947 120.500 -0.152 0.000 2.241 2022 R HA -0.136 4.204 4.340 0.001 0.000 0.224 2022 R C 1.902 178.130 176.300 -0.120 0.000 1.101 2022 R CA 0.940 56.958 56.100 -0.137 0.000 0.995 2022 R CB -0.162 30.087 30.300 -0.085 0.000 0.870 2022 R HN 0.512 nan 8.270 nan 0.000 0.463 2023 E N -0.110 120.025 120.200 -0.109 0.000 2.166 2023 E HA -0.008 4.343 4.350 0.001 0.000 0.192 2023 E C 1.818 178.361 176.600 -0.095 0.000 0.967 2023 E CA 0.275 56.623 56.400 -0.085 0.000 0.840 2023 E CB 0.248 29.910 29.700 -0.065 0.000 0.795 2023 E HN 0.278 nan 8.360 nan 0.000 0.470 2024 R N 0.760 121.189 120.500 -0.118 0.000 2.148 2024 R HA -0.051 4.289 4.340 0.001 0.000 0.223 2024 R C 2.607 178.838 176.300 -0.116 0.000 1.088 2024 R CA 1.555 57.591 56.100 -0.106 0.000 0.985 2024 R CB -0.449 29.790 30.300 -0.103 0.000 0.880 2024 R HN 0.218 nan 8.270 nan 0.000 0.451 2025 T N 0.309 114.751 114.554 -0.185 0.000 2.652 2025 T HA -0.093 4.258 4.350 0.001 0.000 0.267 2025 T C -0.669 174.026 174.700 -0.008 0.000 1.039 2025 T CA 1.026 63.041 62.100 -0.143 0.000 1.153 2025 T CB -1.345 67.298 68.868 -0.376 0.000 0.863 2025 T HN 0.138 nan 8.240 nan 0.000 0.428 2026 P HA -0.005 nan 4.420 nan 0.000 0.221 2026 P C 1.496 178.720 177.300 -0.126 0.000 1.150 2026 P CA 0.995 64.040 63.100 -0.091 0.000 0.800 2026 P CB -0.038 31.622 31.700 -0.068 0.000 0.787 2027 E N -0.084 120.056 120.200 -0.100 0.000 2.347 2027 E HA -0.133 4.218 4.350 0.001 0.000 0.196 2027 E C 1.260 177.794 176.600 -0.110 0.000 1.008 2027 E CA 0.702 57.042 56.400 -0.100 0.000 0.852 2027 E CB -0.360 29.294 29.700 -0.076 0.000 0.783 2027 E HN 0.212 nan 8.360 nan 0.000 0.505 2028 D N -0.114 120.225 120.400 -0.103 0.000 2.340 2028 D HA 0.028 4.668 4.640 0.001 0.000 0.220 2028 D C 0.345 176.510 176.300 -0.225 0.000 1.039 2028 D CA -0.026 53.929 54.000 -0.075 0.000 0.866 2028 D CB 0.222 41.072 40.800 0.085 0.000 0.913 2028 D HN 0.035 nan 8.370 nan 0.000 0.523 2029 I N 1.515 121.855 120.570 -0.382 0.000 2.371 2029 I HA 0.082 4.252 4.170 0.001 0.000 0.290 2029 I C -0.285 175.700 176.117 -0.220 0.000 1.028 2029 I CA -0.620 60.381 61.300 -0.498 0.000 1.345 2029 I CB 0.665 38.344 38.000 -0.536 0.000 1.407 2029 I HN -0.100 nan 8.210 nan 0.000 0.501 2030 F N 7.482 127.214 119.950 -0.364 0.000 2.404 2030 F HA 0.256 4.784 4.527 0.001 0.000 0.358 2030 F C 0.353 176.019 175.800 -0.223 0.000 1.120 2030 F CA -0.731 57.083 58.000 -0.310 0.000 1.144 2030 F CB 0.489 39.195 39.000 -0.490 0.000 1.133 2030 F HN 0.298 nan 8.300 nan 0.000 0.495 2031 K N 7.538 128.039 120.400 0.168 0.000 3.016 2031 K HA 0.221 4.541 4.320 0.001 0.000 0.226 2031 K C -2.396 174.272 176.600 0.113 0.000 1.245 2031 K CA -1.603 54.823 56.287 0.232 0.000 1.174 2031 K CB -0.040 32.624 32.500 0.274 0.000 1.572 2031 K HN 0.371 nan 8.250 nan 0.000 0.462 2032 P HA -0.060 nan 4.420 nan 0.000 0.257 2032 P C -0.242 177.047 177.300 -0.020 0.000 1.189 2032 P CA 0.392 63.609 63.100 0.196 0.000 0.780 2032 P CB 0.946 32.758 31.700 0.186 0.000 0.772 2033 T N 2.252 116.823 114.554 0.027 0.000 3.219 2033 T HA -0.023 4.327 4.350 0.001 0.000 0.249 2033 T C 1.466 176.174 174.700 0.013 0.000 1.099 2033 T CA 0.410 62.518 62.100 0.013 0.000 0.988 2033 T CB -0.632 68.256 68.868 0.033 0.000 0.999 2033 T HN 0.525 nan 8.240 nan 0.000 0.550 2034 N N 1.389 120.098 118.700 0.015 0.000 2.081 2034 N HA 0.089 4.829 4.740 0.001 0.000 0.191 2034 N C 1.646 177.150 175.510 -0.010 0.000 1.053 2034 N CA 1.897 54.952 53.050 0.007 0.000 0.846 2034 N CB -0.207 38.287 38.487 0.012 0.000 1.032 2034 N HN 0.275 nan 8.380 nan 0.000 0.431 2035 G N -1.087 107.697 108.800 -0.026 0.000 3.851 2035 G HA2 0.122 4.083 3.960 0.001 0.000 0.194 2035 G HA3 0.122 4.083 3.960 0.001 0.000 0.194 2035 G C -0.226 174.656 174.900 -0.029 0.000 1.402 2035 G CA 0.015 45.100 45.100 -0.025 0.000 0.901 2035 G HN 0.343 nan 8.290 nan 0.000 0.685 2036 I N 3.459 123.985 120.570 -0.074 0.000 2.836 2036 I HA 0.381 4.551 4.170 0.001 0.000 0.285 2036 I C 1.079 177.198 176.117 0.003 0.000 1.174 2036 I CA -1.550 59.693 61.300 -0.095 0.000 1.405 2036 I CB 0.614 38.450 38.000 -0.272 0.000 1.385 2036 I HN 0.383 nan 8.210 nan 0.000 0.594 2037 I N 3.564 124.213 120.570 0.131 0.000 2.938 2037 I HA 0.161 4.331 4.170 0.001 0.000 0.285 2037 I C -0.332 175.999 176.117 0.357 0.000 1.182 2037 I CA -0.456 61.004 61.300 0.266 0.000 1.388 2037 I CB 0.153 38.408 38.000 0.424 0.000 1.390 2037 I HN 0.500 nan 8.210 nan 0.000 0.600 2038 H N 3.803 123.068 119.070 0.325 0.000 2.815 2038 H HA 0.404 4.961 4.556 0.001 0.000 0.350 2038 H C -0.181 175.383 175.328 0.392 0.000 1.080 2038 H CA 0.277 56.496 56.048 0.286 0.000 1.433 2038 H CB 0.265 30.090 29.762 0.105 0.000 1.432 2038 H HN 0.629 nan 8.280 nan 0.000 0.592 2039 H N 0.359 119.601 119.070 0.286 0.000 3.037 2039 H HA 0.276 4.832 4.556 0.001 0.000 0.355 2039 H C -1.282 174.156 175.328 0.183 0.000 1.263 2039 H CA -1.083 55.127 56.048 0.269 0.000 1.129 2039 H CB 0.280 30.226 29.762 0.306 0.000 1.861 2039 H HN 0.365 nan 8.280 nan 0.000 0.546 2040 F N 1.011 121.128 119.950 0.277 0.000 2.382 2040 F HA 0.285 4.813 4.527 0.001 0.000 0.331 2040 F C 1.880 177.739 175.800 0.098 0.000 1.121 2040 F CA -0.224 57.867 58.000 0.151 0.000 1.183 2040 F CB 1.223 40.302 39.000 0.132 0.000 1.207 2040 F HN 0.511 nan 8.300 nan 0.000 0.555 2041 K N -0.239 120.216 120.400 0.092 0.000 2.242 2041 K HA 0.024 4.345 4.320 0.001 0.000 0.200 2041 K C 1.293 177.812 176.600 -0.136 0.000 1.050 2041 K CA 1.067 57.402 56.287 0.080 0.000 0.981 2041 K CB 0.316 32.879 32.500 0.104 0.000 0.795 2041 K HN 0.732 nan 8.250 nan 0.000 0.477 2042 T N -1.120 113.232 114.554 -0.337 0.000 3.151 2042 T HA 0.177 4.527 4.350 0.001 0.000 0.257 2042 T C 1.197 175.585 174.700 -0.521 0.000 0.872 2042 T CA -0.250 61.597 62.100 -0.421 0.000 0.873 2042 T CB 0.096 68.841 68.868 -0.204 0.000 1.272 2042 T HN -0.078 nan 8.240 nan 0.000 0.543 2043 M N 1.358 120.808 119.600 -0.249 0.000 2.374 2043 M HA 0.003 4.484 4.480 0.001 0.000 0.264 2043 M C 1.651 178.037 176.300 0.143 0.000 1.067 2043 M CA 1.485 56.828 55.300 0.071 0.000 1.103 2043 M CB -0.312 32.442 32.600 0.257 0.000 1.402 2043 M HN 0.481 nan 8.290 nan 0.000 0.444 2044 H N -0.615 118.472 119.070 0.028 0.000 2.545 2044 H HA 0.025 4.581 4.556 0.001 0.000 0.282 2044 H C 1.358 176.535 175.328 -0.251 0.000 1.020 2044 H CA 0.781 56.762 56.048 -0.111 0.000 1.243 2044 H CB -0.726 28.977 29.762 -0.098 0.000 1.377 2044 H HN 0.329 nan 8.280 nan 0.000 0.581 2045 R N -0.305 120.107 120.500 -0.147 0.000 2.310 2045 R HA 0.112 4.453 4.340 0.001 0.000 0.202 2045 R C -0.365 175.708 176.300 -0.378 0.000 0.933 2045 R CA -0.160 55.479 56.100 -0.767 0.000 1.054 2045 R CB 0.071 29.884 30.300 -0.813 0.000 0.985 2045 R HN 0.351 nan 8.270 nan 0.000 0.489 2046 Y N 0.440 120.719 120.300 -0.035 0.000 2.304 2046 Y HA 0.134 4.684 4.550 0.001 0.000 0.327 2046 Y C 0.573 176.486 175.900 0.021 0.000 1.209 2046 Y CA 0.026 58.149 58.100 0.039 0.000 1.299 2046 Y CB 1.577 40.138 38.460 0.168 0.000 1.249 2046 Y HN -0.176 nan 8.280 nan 0.000 0.519 2047 T N 4.448 119.121 114.554 0.200 0.000 2.993 2047 T HA 0.433 4.783 4.350 0.001 0.000 0.312 2047 T C -1.430 173.227 174.700 -0.073 0.000 1.115 2047 T CA -0.759 61.344 62.100 0.005 0.000 1.027 2047 T CB 1.194 70.075 68.868 0.022 0.000 1.116 2047 T HN 0.470 nan 8.240 nan 0.000 0.464 2048 L N 0.652 121.744 121.223 -0.217 0.000 2.333 2048 L HA 0.939 5.280 4.340 0.001 0.000 0.269 2048 L C -0.600 176.126 176.870 -0.240 0.000 1.010 2048 L CA -0.407 54.328 54.840 -0.175 0.000 0.818 2048 L CB 1.579 43.558 42.059 -0.134 0.000 1.306 2048 L HN 0.579 nan 8.230 nan 0.000 0.430 2049 E N 2.535 122.640 120.200 -0.159 0.000 2.293 2049 E HA 0.457 4.808 4.350 0.001 0.000 0.270 2049 E C -1.070 175.444 176.600 -0.144 0.000 0.879 2049 E CA -1.105 55.198 56.400 -0.162 0.000 0.756 2049 E CB 2.064 31.689 29.700 -0.125 0.000 1.208 2049 E HN 0.547 nan 8.360 nan 0.000 0.428 2050 M N 2.164 121.649 119.600 -0.192 0.000 2.241 2050 M HA 0.253 4.733 4.480 0.001 0.000 0.335 2050 M C -0.136 175.999 176.300 -0.275 0.000 1.122 2050 M CA -0.199 54.928 55.300 -0.289 0.000 1.164 2050 M CB -0.212 32.159 32.600 -0.382 0.000 1.459 2050 M HN 0.459 nan 8.290 nan 0.000 0.461 2051 F N 0.075 119.888 119.950 -0.228 0.000 2.378 2051 F HA 0.623 5.151 4.527 0.001 0.000 0.319 2051 F C 0.370 176.027 175.800 -0.238 0.000 1.155 2051 F CA -1.362 56.446 58.000 -0.320 0.000 1.157 2051 F CB 0.142 38.818 39.000 -0.541 0.000 1.252 2051 F HN 0.477 nan 8.300 nan 0.000 0.550 2052 R N 0.775 121.238 120.500 -0.062 0.000 2.316 2052 R HA 0.177 4.518 4.340 0.001 0.000 0.314 2052 R C 0.684 176.877 176.300 -0.178 0.000 1.069 2052 R CA 0.475 56.502 56.100 -0.121 0.000 0.959 2052 R CB 0.553 30.788 30.300 -0.109 0.000 0.987 2052 R HN 0.958 nan 8.270 nan 0.000 0.446 2053 T N 2.234 116.648 114.554 -0.233 0.000 3.044 2053 T HA 0.020 4.370 4.350 0.001 0.000 0.250 2053 T C 0.928 175.420 174.700 -0.347 0.000 1.081 2053 T CA 0.280 62.153 62.100 -0.379 0.000 1.040 2053 T CB -0.068 68.643 68.868 -0.262 0.000 0.962 2053 T HN 0.699 nan 8.240 nan 0.000 0.506 2054 C N 2.875 122.051 119.300 -0.207 0.000 2.526 2054 C HA 0.118 4.578 4.460 0.001 0.000 0.286 2054 C C 2.068 177.006 174.990 -0.087 0.000 1.416 2054 C CA 0.348 59.302 59.018 -0.107 0.000 1.671 2054 C CB -1.829 25.876 27.740 -0.059 0.000 1.650 2054 C HN 0.753 nan 8.230 nan 0.000 0.590 2055 Q N -1.541 118.137 119.800 -0.204 0.000 2.194 2055 Q HA 0.309 4.650 4.340 0.001 0.000 0.214 2055 Q C 0.019 176.093 176.000 0.124 0.000 0.838 2055 Q CA 0.066 55.817 55.803 -0.087 0.000 0.972 2055 Q CB 0.179 28.842 28.738 -0.124 0.000 1.131 2055 Q HN 0.582 nan 8.270 nan 0.000 0.498 2056 F N 1.193 121.143 119.950 -0.001 0.000 2.556 2056 F HA 0.440 4.967 4.527 0.001 0.000 0.327 2056 F C 0.879 176.810 175.800 0.218 0.000 1.059 2056 F CA -1.849 56.142 58.000 -0.016 0.000 0.953 2056 F CB 1.173 40.198 39.000 0.042 0.000 1.227 2056 F HN 0.099 nan 8.300 nan 0.000 0.478 2057 C N 1.722 121.407 119.300 0.642 0.000 2.665 2057 C HA 0.104 4.564 4.460 0.001 0.000 0.416 2057 C C -1.444 173.782 174.990 0.394 0.000 1.305 2057 C CA -1.024 58.265 59.018 0.451 0.000 1.903 2057 C CB 0.552 28.545 27.740 0.421 0.000 2.704 2057 C HN 0.623 nan 8.230 nan 0.000 0.629 2058 P HA -0.169 nan 4.420 nan 0.000 0.213 2058 P C 1.752 179.167 177.300 0.192 0.000 1.170 2058 P CA 2.136 65.345 63.100 0.180 0.000 0.902 2058 P CB -0.134 31.649 31.700 0.137 0.000 0.789 2059 Q N -2.017 117.934 119.800 0.252 0.000 2.197 2059 Q HA -0.216 4.124 4.340 0.001 0.000 0.207 2059 Q C 2.091 178.238 176.000 0.246 0.000 0.984 2059 Q CA 1.435 57.404 55.803 0.276 0.000 0.869 2059 Q CB -0.745 28.232 28.738 0.399 0.000 0.906 2059 Q HN 0.314 nan 8.270 nan 0.000 0.426 2060 F N 0.909 120.924 119.950 0.109 0.000 2.219 2060 F HA -0.006 4.521 4.527 0.001 0.000 0.294 2060 F C 2.528 178.312 175.800 -0.027 0.000 1.086 2060 F CA 0.676 58.600 58.000 -0.126 0.000 1.330 2060 F CB 0.097 39.036 39.000 -0.101 0.000 1.047 2060 F HN -0.183 nan 8.300 nan 0.000 0.495 2061 R N 0.646 121.215 120.500 0.114 0.000 2.119 2061 R HA -0.273 4.067 4.340 0.001 0.000 0.246 2061 R C 2.246 178.367 176.300 -0.298 0.000 1.146 2061 R CA 2.207 58.258 56.100 -0.082 0.000 0.962 2061 R CB -0.479 29.791 30.300 -0.051 0.000 0.863 2061 R HN 0.472 nan 8.270 nan 0.000 0.442 2062 E N 0.097 120.200 120.200 -0.162 0.000 2.150 2062 E HA -0.158 4.193 4.350 0.001 0.000 0.193 2062 E C 1.898 178.418 176.600 -0.133 0.000 0.985 2062 E CA 1.153 57.489 56.400 -0.107 0.000 0.814 2062 E CB -0.032 29.660 29.700 -0.013 0.000 0.752 2062 E HN 0.435 nan 8.360 nan 0.000 0.466 2063 I N 0.773 121.190 120.570 -0.255 0.000 2.208 2063 I HA -0.301 3.869 4.170 0.001 0.000 0.245 2063 I C 2.278 178.235 176.117 -0.268 0.000 1.097 2063 I CA 1.050 62.166 61.300 -0.307 0.000 1.363 2063 I CB -0.294 37.358 38.000 -0.581 0.000 1.051 2063 I HN 0.207 nan 8.210 nan 0.000 0.413 2064 I N -0.050 120.309 120.570 -0.353 0.000 2.163 2064 I HA -0.297 3.873 4.170 0.001 0.000 0.240 2064 I C 2.555 178.654 176.117 -0.030 0.000 1.081 2064 I CA 1.570 62.771 61.300 -0.166 0.000 1.353 2064 I CB -0.771 37.160 38.000 -0.116 0.000 1.054 2064 I HN 0.244 nan 8.210 nan 0.000 0.407 2065 H N 0.470 119.454 119.070 -0.144 0.000 2.353 2065 H HA -0.229 4.327 4.556 0.001 0.000 0.298 2065 H C 2.167 177.439 175.328 -0.093 0.000 1.103 2065 H CA 1.210 57.184 56.048 -0.123 0.000 1.293 2065 H CB 0.094 29.798 29.762 -0.096 0.000 1.372 2065 H HN 0.056 nan 8.280 nan 0.000 0.501 2066 K N 0.827 121.258 120.400 0.052 0.000 2.147 2066 K HA -0.068 4.253 4.320 0.001 0.000 0.205 2066 K C 2.099 178.699 176.600 -0.001 0.000 1.049 2066 K CA 1.063 57.358 56.287 0.014 0.000 0.936 2066 K CB -0.176 32.326 32.500 0.002 0.000 0.722 2066 K HN 0.267 nan 8.250 nan 0.000 0.446 2067 A N -0.077 122.740 122.820 -0.005 0.000 1.843 2067 A HA -0.007 4.314 4.320 0.001 0.000 0.213 2067 A C 2.105 179.682 177.584 -0.011 0.000 1.202 2067 A CA 1.262 53.304 52.037 0.008 0.000 0.607 2067 A CB -0.524 18.505 19.000 0.049 0.000 0.847 2067 A HN 0.237 nan 8.150 nan 0.000 0.445 2068 L N -0.509 120.679 121.223 -0.057 0.000 2.209 2068 L HA 0.196 4.536 4.340 0.001 0.000 0.207 2068 L C 0.347 177.157 176.870 -0.101 0.000 1.094 2068 L CA 0.144 54.917 54.840 -0.113 0.000 0.790 2068 L CB -0.212 41.701 42.059 -0.244 0.000 0.932 2068 L HN 0.235 nan 8.230 nan 0.000 0.447 2069 I N 0.055 120.561 120.570 -0.107 0.000 2.440 2069 I HA 0.038 4.208 4.170 0.001 0.000 0.294 2069 I C 0.054 176.133 176.117 -0.063 0.000 0.995 2069 I CA -0.321 60.910 61.300 -0.115 0.000 1.306 2069 I CB 0.969 38.842 38.000 -0.211 0.000 1.407 2069 I HN -0.074 nan 8.210 nan 0.000 0.501 2070 D N 5.581 125.958 120.400 -0.039 0.000 2.470 2070 D HA 0.092 4.732 4.640 0.001 0.000 0.226 2070 D C 1.133 177.418 176.300 -0.025 0.000 1.196 2070 D CA -0.185 53.814 54.000 -0.002 0.000 0.979 2070 D CB 0.542 41.368 40.800 0.044 0.000 1.059 2070 D HN 0.379 nan 8.370 nan 0.000 0.515 2071 R N 2.161 122.642 120.500 -0.032 0.000 2.127 2071 R HA -0.102 4.238 4.340 0.001 0.000 0.238 2071 R C 1.747 178.034 176.300 -0.023 0.000 1.134 2071 R CA 0.822 56.900 56.100 -0.037 0.000 0.975 2071 R CB -0.187 30.098 30.300 -0.026 0.000 0.865 2071 R HN 0.302 nan 8.270 nan 0.000 0.447 2072 N N 0.906 119.598 118.700 -0.012 0.000 2.058 2072 N HA -0.088 4.652 4.740 0.001 0.000 0.191 2072 N C 1.854 177.358 175.510 -0.011 0.000 1.037 2072 N CA 1.449 54.493 53.050 -0.011 0.000 0.848 2072 N CB -0.096 38.385 38.487 -0.010 0.000 1.021 2072 N HN 0.220 nan 8.380 nan 0.000 0.422 2073 I N 1.382 121.951 120.570 -0.001 0.000 2.315 2073 I HA -0.215 3.956 4.170 0.001 0.000 0.248 2073 I C 2.492 178.604 176.117 -0.009 0.000 1.117 2073 I CA 0.753 62.050 61.300 -0.004 0.000 1.404 2073 I CB -0.203 37.808 38.000 0.019 0.000 1.071 2073 I HN 0.106 nan 8.210 nan 0.000 0.419 2074 Q N 0.913 120.703 119.800 -0.017 0.000 2.002 2074 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 2074 Q C 2.511 178.501 176.000 -0.017 0.000 0.988 2074 Q CA 2.247 58.033 55.803 -0.027 0.000 0.843 2074 Q CB -0.524 28.179 28.738 -0.058 0.000 0.908 2074 Q HN 0.568 nan 8.270 nan 0.000 0.420 2075 A N 0.426 123.234 122.820 -0.019 0.000 1.865 2075 A HA -0.207 4.113 4.320 0.001 0.000 0.217 2075 A C 2.386 179.967 177.584 -0.006 0.000 1.191 2075 A CA 2.387 54.417 52.037 -0.011 0.000 0.623 2075 A CB -1.112 17.881 19.000 -0.012 0.000 0.826 2075 A HN 0.465 nan 8.150 nan 0.000 0.444 2076 T N 0.590 115.138 114.554 -0.011 0.000 2.635 2076 T HA -0.147 4.203 4.350 0.001 0.000 0.267 2076 T C 1.825 176.523 174.700 -0.003 0.000 1.040 2076 T CA 1.602 63.694 62.100 -0.013 0.000 1.156 2076 T CB -0.456 68.396 68.868 -0.027 0.000 0.863 2076 T HN 0.346 nan 8.240 nan 0.000 0.430 2077 L N 0.461 121.687 121.223 0.005 0.000 2.141 2077 L HA -0.073 4.267 4.340 0.001 0.000 0.209 2077 L C 2.733 179.634 176.870 0.053 0.000 1.094 2077 L CA 1.350 56.207 54.840 0.029 0.000 0.763 2077 L CB -0.511 41.571 42.059 0.039 0.000 0.908 2077 L HN 0.390 nan 8.230 nan 0.000 0.437 2078 E N -0.810 119.414 120.200 0.040 0.000 2.072 2078 E HA -0.177 4.174 4.350 0.001 0.000 0.190 2078 E C 2.311 178.938 176.600 0.045 0.000 0.982 2078 E CA 1.109 57.541 56.400 0.054 0.000 0.803 2078 E CB 0.004 29.719 29.700 0.027 0.000 0.755 2078 E HN 0.215 nan 8.360 nan 0.000 0.453 2079 S N 1.092 116.804 115.700 0.022 0.000 2.383 2079 S HA -0.185 4.285 4.470 0.001 0.000 0.229 2079 S C 1.724 176.327 174.600 0.006 0.000 1.030 2079 S CA 1.444 59.651 58.200 0.010 0.000 1.002 2079 S CB -0.102 63.099 63.200 0.002 0.000 0.829 2079 S HN 0.320 nan 8.310 nan 0.000 0.467 2080 Q N -0.224 119.580 119.800 0.006 0.000 2.212 2080 Q HA 0.256 4.597 4.340 0.001 0.000 0.213 2080 Q C -0.328 175.660 176.000 -0.020 0.000 0.874 2080 Q CA -0.250 55.547 55.803 -0.010 0.000 0.965 2080 Q CB 0.095 28.825 28.738 -0.013 0.000 1.074 2080 Q HN 0.081 nan 8.270 nan 0.000 0.473 2081 K N 0.619 121.025 120.400 0.010 0.000 2.975 2081 K HA -0.186 4.134 4.320 0.001 0.000 0.257 2081 K C 0.483 177.075 176.600 -0.014 0.000 1.005 2081 K CA 0.685 56.985 56.287 0.022 0.000 0.738 2081 K CB -0.945 31.508 32.500 -0.079 0.000 1.236 2081 K HN 0.312 nan 8.250 nan 0.000 0.483 2082 K N 0.044 120.502 120.400 0.097 0.000 2.323 2082 K HA 0.112 4.432 4.320 0.001 0.000 0.197 2082 K C 0.748 177.595 176.600 0.411 0.000 1.043 2082 K CA 0.193 56.572 56.287 0.154 0.000 0.997 2082 K CB 0.203 32.756 32.500 0.089 0.000 0.807 2082 K HN 0.278 nan 8.250 nan 0.000 0.497 2083 L N 0.460 121.909 121.223 0.376 0.000 2.401 2083 L HA 0.356 4.697 4.340 0.001 0.000 0.266 2083 L C -0.504 176.463 176.870 0.161 0.000 0.991 2083 L CA -0.059 54.925 54.840 0.241 0.000 0.818 2083 L CB 1.604 43.732 42.059 0.115 0.000 1.321 2083 L HN 0.127 nan 8.230 nan 0.000 0.413 2084 N N 3.201 121.881 118.700 -0.033 0.000 2.681 2084 N HA -0.243 4.497 4.740 0.001 0.000 0.250 2084 N C 0.659 176.134 175.510 -0.057 0.000 1.133 2084 N CA 1.596 54.584 53.050 -0.103 0.000 0.732 2084 N CB -0.612 37.850 38.487 -0.041 0.000 1.107 2084 N HN 0.953 nan 8.380 nan 0.000 0.559 2085 W N -1.338 119.953 121.300 -0.015 0.000 2.418 2085 W HA 0.161 4.822 4.660 0.001 0.000 0.292 2085 W C 1.145 177.643 176.519 -0.035 0.000 1.213 2085 W CA -0.046 57.278 57.345 -0.035 0.000 1.283 2085 W CB -1.093 28.345 29.460 -0.037 0.000 1.119 2085 W HN 0.210 nan 8.180 nan 0.000 0.542 2086 C N 4.596 123.595 119.300 -0.502 0.000 2.627 2086 C HA 0.203 4.663 4.460 0.001 0.000 0.404 2086 C C 2.085 176.949 174.990 -0.210 0.000 1.340 2086 C CA 0.000 58.764 59.018 -0.424 0.000 1.758 2086 C CB -0.430 26.812 27.740 -0.829 0.000 2.501 2086 C HN 0.396 nan 8.230 nan 0.000 0.588 2087 R N 2.100 122.542 120.500 -0.096 0.000 2.297 2087 R HA 0.034 4.374 4.340 0.001 0.000 0.197 2087 R C 1.473 177.730 176.300 -0.072 0.000 0.943 2087 R CA 0.804 56.862 56.100 -0.070 0.000 1.038 2087 R CB 0.177 30.455 30.300 -0.037 0.000 0.957 2087 R HN 0.821 nan 8.270 nan 0.000 0.484 2088 E N 0.059 120.207 120.200 -0.086 0.000 2.472 2088 E HA 0.014 4.365 4.350 0.001 0.000 0.196 2088 E C 0.661 177.210 176.600 -0.086 0.000 1.033 2088 E CA 0.101 56.458 56.400 -0.071 0.000 0.886 2088 E CB 0.351 30.018 29.700 -0.054 0.000 0.944 2088 E HN 0.167 nan 8.360 nan 0.000 0.492 2089 V N -1.262 118.579 119.914 -0.122 0.000 2.919 2089 V HA 0.587 4.708 4.120 0.001 0.000 0.316 2089 V C 0.175 176.204 176.094 -0.108 0.000 1.077 2089 V CA -1.380 60.848 62.300 -0.119 0.000 0.977 2089 V CB 2.178 33.902 31.823 -0.165 0.000 1.039 2089 V HN -0.205 nan 8.190 nan 0.000 0.441 2090 R N 1.555 122.005 120.500 -0.084 0.000 2.734 2090 R HA 0.248 4.588 4.340 0.001 0.000 0.266 2090 R C 0.021 176.269 176.300 -0.085 0.000 1.044 2090 R CA -0.064 55.993 56.100 -0.073 0.000 1.128 2090 R CB 0.231 30.498 30.300 -0.055 0.000 1.010 2090 R HN 0.882 nan 8.270 nan 0.000 0.461 2091 K N 1.904 122.258 120.400 -0.078 0.000 2.218 2091 K HA 0.275 4.595 4.320 0.001 0.000 0.276 2091 K C -0.419 176.139 176.600 -0.071 0.000 1.022 2091 K CA -0.325 55.915 56.287 -0.079 0.000 0.946 2091 K CB 0.600 33.057 32.500 -0.073 0.000 1.000 2091 K HN 0.344 nan 8.250 nan 0.000 0.468 2092 L N 3.657 124.843 121.223 -0.062 0.000 2.331 2092 L HA 0.545 4.886 4.340 0.001 0.000 0.275 2092 L C -0.495 176.341 176.870 -0.057 0.000 1.022 2092 L CA -1.139 53.678 54.840 -0.039 0.000 0.812 2092 L CB 1.766 43.823 42.059 -0.004 0.000 1.257 2092 L HN 0.374 nan 8.230 nan 0.000 0.435 2093 V N 1.818 121.692 119.914 -0.067 0.000 2.680 2093 V HA 0.808 4.928 4.120 0.001 0.000 0.309 2093 V C -0.380 175.674 176.094 -0.068 0.000 1.052 2093 V CA -0.400 61.837 62.300 -0.104 0.000 0.908 2093 V CB 1.934 33.651 31.823 -0.177 0.000 1.001 2093 V HN 0.842 nan 8.190 nan 0.000 0.431 2094 A N 7.272 130.051 122.820 -0.068 0.000 2.276 2094 A HA 0.728 5.049 4.320 0.001 0.000 0.300 2094 A C -0.481 177.078 177.584 -0.041 0.000 1.235 2094 A CA -0.536 51.485 52.037 -0.028 0.000 0.867 2094 A CB 0.103 19.097 19.000 -0.011 0.000 1.137 2094 A HN 0.909 nan 8.150 nan 0.000 0.527 2095 L N 2.748 123.962 121.223 -0.014 0.000 2.326 2095 L HA 0.281 4.621 4.340 0.001 0.000 0.278 2095 L C 0.471 177.362 176.870 0.035 0.000 1.092 2095 L CA -0.616 54.215 54.840 -0.016 0.000 0.810 2095 L CB 1.001 43.055 42.059 -0.007 0.000 1.153 2095 L HN 0.684 nan 8.230 nan 0.000 0.439 2096 K N 1.859 122.279 120.400 0.033 0.000 2.485 2096 K HA 0.155 4.475 4.320 0.001 0.000 0.277 2096 K C 0.024 176.703 176.600 0.131 0.000 0.990 2096 K CA 0.268 56.606 56.287 0.085 0.000 0.994 2096 K CB 0.369 32.903 32.500 0.056 0.000 0.906 2096 K HN 0.724 nan 8.250 nan 0.000 0.488 2097 T N -0.719 113.967 114.554 0.220 0.000 2.952 2097 T HA 0.166 4.516 4.350 0.001 0.000 0.305 2097 T C -0.397 174.503 174.700 0.332 0.000 1.064 2097 T CA -1.127 61.112 62.100 0.233 0.000 1.008 2097 T CB 1.248 70.231 68.868 0.191 0.000 1.078 2097 T HN 0.401 nan 8.240 nan 0.000 0.459 2098 N N 1.446 120.263 118.700 0.195 0.000 2.411 2098 N HA 0.161 4.901 4.740 0.001 0.000 0.261 2098 N C 0.837 176.592 175.510 0.410 0.000 1.248 2098 N CA 0.382 53.547 53.050 0.192 0.000 0.885 2098 N CB 0.801 39.294 38.487 0.010 0.000 1.062 2098 N HN 0.993 nan 8.380 nan 0.000 0.471 2099 G N 2.309 111.277 108.800 0.280 0.000 3.939 2099 G HA2 -0.018 3.943 3.960 0.001 0.000 0.268 2099 G HA3 -0.018 3.943 3.960 0.001 0.000 0.268 2099 G C 0.587 175.599 174.900 0.186 0.000 1.172 2099 G CA -0.463 44.806 45.100 0.283 0.000 1.614 2099 G HN 0.720 nan 8.290 nan 0.000 0.639 2100 D N 0.073 120.619 120.400 0.244 0.000 2.336 2100 D HA 0.152 4.793 4.640 0.001 0.000 0.228 2100 D C 1.484 177.873 176.300 0.149 0.000 1.120 2100 D CA 0.158 54.249 54.000 0.151 0.000 0.839 2100 D CB 0.012 40.919 40.800 0.179 0.000 0.932 2100 D HN 0.502 nan 8.370 nan 0.000 0.509 2101 G N 1.395 110.304 108.800 0.182 0.000 2.195 2101 G HA2 -0.331 3.630 3.960 0.001 0.000 0.246 2101 G HA3 -0.331 3.630 3.960 0.001 0.000 0.246 2101 G C 0.667 175.649 174.900 0.137 0.000 0.984 2101 G CA 0.209 45.399 45.100 0.150 0.000 0.633 2101 G HN 0.508 nan 8.290 nan 0.000 0.525 2102 N N 0.134 118.911 118.700 0.127 0.000 2.291 2102 N HA 0.193 4.933 4.740 0.001 0.000 0.244 2102 N C 2.010 177.353 175.510 -0.279 0.000 1.216 2102 N CA 0.989 53.957 53.050 -0.137 0.000 0.879 2102 N CB -0.641 37.712 38.487 -0.223 0.000 1.167 2102 N HN 0.683 nan 8.380 nan 0.000 0.515 2103 C N -1.158 118.188 119.300 0.077 0.000 2.419 2103 C HA 0.016 4.477 4.460 0.001 0.000 0.281 2103 C C 2.369 177.380 174.990 0.035 0.000 1.336 2103 C CA 0.003 59.137 59.018 0.194 0.000 1.770 2103 C CB -1.583 26.348 27.740 0.318 0.000 1.929 2103 C HN 0.484 nan 8.230 nan 0.000 0.509 2104 L N 0.478 121.620 121.223 -0.135 0.000 2.056 2104 L HA 0.029 4.370 4.340 0.001 0.000 0.207 2104 L C 2.448 179.134 176.870 -0.308 0.000 1.078 2104 L CA 2.143 56.718 54.840 -0.442 0.000 0.749 2104 L CB -0.788 40.864 42.059 -0.679 0.000 0.901 2104 L HN 0.158 nan 8.230 nan 0.000 0.433 2105 M N -0.935 118.505 119.600 -0.267 0.000 2.200 2105 M HA -0.071 4.409 4.480 0.001 0.000 0.265 2105 M C 2.293 178.545 176.300 -0.081 0.000 1.066 2105 M CA 1.365 56.541 55.300 -0.206 0.000 1.127 2105 M CB -0.874 31.581 32.600 -0.241 0.000 1.379 2105 M HN 0.313 nan 8.290 nan 0.000 0.420 2106 H N -0.573 118.495 119.070 -0.003 0.000 2.321 2106 H HA 0.073 4.630 4.556 0.001 0.000 0.300 2106 H C 2.040 177.385 175.328 0.028 0.000 1.087 2106 H CA 1.755 57.829 56.048 0.044 0.000 1.319 2106 H CB -0.866 28.950 29.762 0.090 0.000 1.379 2106 H HN 0.362 nan 8.280 nan 0.000 0.501 2107 A N 0.424 123.322 122.820 0.130 0.000 1.865 2107 A HA -0.196 4.124 4.320 0.001 0.000 0.217 2107 A C 2.680 180.268 177.584 0.007 0.000 1.191 2107 A CA 2.425 54.503 52.037 0.070 0.000 0.623 2107 A CB -1.091 17.942 19.000 0.055 0.000 0.826 2107 A HN 0.433 nan 8.150 nan 0.000 0.444 2108 T N -0.108 114.388 114.554 -0.096 0.000 2.652 2108 T HA -0.133 4.217 4.350 0.001 0.000 0.267 2108 T C 2.303 176.849 174.700 -0.257 0.000 1.039 2108 T CA 1.808 63.795 62.100 -0.188 0.000 1.153 2108 T CB -0.391 68.323 68.868 -0.255 0.000 0.863 2108 T HN 0.463 nan 8.240 nan 0.000 0.428 2109 S N 1.051 116.625 115.700 -0.210 0.000 2.370 2109 S HA -0.153 4.318 4.470 0.001 0.000 0.226 2109 S C 2.252 176.785 174.600 -0.111 0.000 1.033 2109 S CA 1.146 59.201 58.200 -0.242 0.000 1.011 2109 S CB -0.337 62.986 63.200 0.204 0.000 0.852 2109 S HN 0.536 nan 8.310 nan 0.000 0.457 2110 Q N -0.882 118.939 119.800 0.035 0.000 2.119 2110 Q HA -0.139 4.202 4.340 0.001 0.000 0.201 2110 Q C 1.877 177.879 176.000 0.003 0.000 0.972 2110 Q CA 1.296 57.147 55.803 0.079 0.000 0.847 2110 Q CB -0.307 28.501 28.738 0.118 0.000 0.903 2110 Q HN 0.633 nan 8.270 nan 0.000 0.433 2111 Y N 1.406 121.626 120.300 -0.134 0.000 2.114 2111 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 2111 Y C 2.082 177.883 175.900 -0.165 0.000 1.165 2111 Y CA 2.067 60.086 58.100 -0.135 0.000 1.148 2111 Y CB -0.020 38.350 38.460 -0.149 0.000 0.972 2111 Y HN 0.074 nan 8.280 nan 0.000 0.504 2112 M N -3.127 116.319 119.600 -0.256 0.000 2.486 2112 M HA -0.034 4.447 4.480 0.001 0.000 0.264 2112 M C 1.092 177.277 176.300 -0.192 0.000 1.125 2112 M CA 0.690 55.787 55.300 -0.337 0.000 1.144 2112 M CB -0.053 32.183 32.600 -0.607 0.000 1.353 2112 M HN 0.200 nan 8.290 nan 0.000 0.466 2113 W N 0.304 121.598 121.300 -0.008 0.000 2.866 2113 W HA 0.505 5.165 4.660 0.001 0.000 0.258 2113 W C 1.475 177.977 176.519 -0.028 0.000 1.183 2113 W CA 0.753 58.072 57.345 -0.044 0.000 1.451 2113 W CB -0.458 28.982 29.460 -0.033 0.000 0.959 2113 W HN 0.462 nan 8.180 nan 0.000 0.622 2114 G N 0.500 109.423 108.800 0.205 0.000 2.213 2114 G HA2 -0.251 3.709 3.960 0.001 0.000 0.236 2114 G HA3 -0.251 3.709 3.960 0.001 0.000 0.236 2114 G C 0.092 175.152 174.900 0.267 0.000 0.991 2114 G CA 0.253 45.460 45.100 0.179 0.000 0.629 2114 G HN 0.321 nan 8.290 nan 0.000 0.517 2115 V N -2.033 118.045 119.914 0.273 0.000 2.850 2115 V HA 0.857 4.977 4.120 0.001 0.000 0.315 2115 V C 0.280 176.486 176.094 0.186 0.000 1.064 2115 V CA -0.914 61.502 62.300 0.193 0.000 0.979 2115 V CB 1.729 33.617 31.823 0.108 0.000 1.039 2115 V HN 0.351 nan 8.190 nan 0.000 0.452 2116 Q N 0.267 120.084 119.800 0.029 0.000 2.185 2116 Q HA 0.302 4.643 4.340 0.001 0.000 0.225 2116 Q C -0.718 175.404 176.000 0.203 0.000 0.983 2116 Q CA -0.505 55.362 55.803 0.107 0.000 0.950 2116 Q CB 1.122 29.788 28.738 -0.119 0.000 1.176 2116 Q HN 0.925 nan 8.270 nan 0.000 0.510 2117 D N 0.199 120.874 120.400 0.458 0.000 3.032 2117 D HA 0.015 4.656 4.640 0.001 0.000 0.241 2117 D C 0.878 177.342 176.300 0.273 0.000 1.196 2117 D CA 0.121 54.303 54.000 0.304 0.000 0.927 2117 D CB 0.007 40.892 40.800 0.143 0.000 1.129 2117 D HN 0.541 nan 8.370 nan 0.000 0.458 2118 T N -2.602 112.034 114.554 0.138 0.000 2.759 2118 T HA -0.189 4.161 4.350 0.001 0.000 0.269 2118 T C 1.188 175.926 174.700 0.063 0.000 1.042 2118 T CA 0.895 63.033 62.100 0.063 0.000 1.140 2118 T CB 0.016 68.833 68.868 -0.085 0.000 0.864 2118 T HN 0.040 nan 8.240 nan 0.000 0.455 2119 D N 1.225 121.647 120.400 0.037 0.000 2.328 2119 D HA 0.271 4.911 4.640 0.001 0.000 0.221 2119 D C 0.950 177.253 176.300 0.005 0.000 1.072 2119 D CA -0.094 53.915 54.000 0.016 0.000 0.850 2119 D CB -0.265 40.532 40.800 -0.005 0.000 0.922 2119 D HN 0.437 nan 8.370 nan 0.000 0.516 2120 L N -0.561 120.667 121.223 0.009 0.000 4.001 2120 L HA -0.277 4.064 4.340 0.001 0.000 0.413 2120 L C 1.347 178.197 176.870 -0.033 0.000 1.185 2120 L CA -0.374 54.428 54.840 -0.063 0.000 0.963 2120 L CB -2.305 39.662 42.059 -0.154 0.000 1.976 2120 L HN 0.005 nan 8.230 nan 0.000 0.939 2121 V N -1.093 118.838 119.914 0.029 0.000 2.261 2121 V HA -0.287 3.833 4.120 0.001 0.000 0.246 2121 V C 2.187 178.347 176.094 0.110 0.000 1.047 2121 V CA 2.237 64.576 62.300 0.064 0.000 1.015 2121 V CB -0.276 31.610 31.823 0.104 0.000 0.642 2121 V HN 0.414 nan 8.190 nan 0.000 0.446 2122 L N -0.111 121.210 121.223 0.163 0.000 2.027 2122 L HA -0.094 4.247 4.340 0.001 0.000 0.206 2122 L C 2.641 179.529 176.870 0.029 0.000 1.074 2122 L CA 1.806 56.746 54.840 0.168 0.000 0.745 2122 L CB -0.646 41.502 42.059 0.148 0.000 0.898 2122 L HN 0.226 nan 8.230 nan 0.000 0.433 2123 R N -0.061 120.405 120.500 -0.056 0.000 2.127 2123 R HA -0.151 4.189 4.340 0.001 0.000 0.238 2123 R C 2.135 178.380 176.300 -0.091 0.000 1.134 2123 R CA 1.591 57.609 56.100 -0.137 0.000 0.975 2123 R CB -0.249 29.891 30.300 -0.266 0.000 0.865 2123 R HN 0.293 nan 8.270 nan 0.000 0.447 2124 K N -0.825 119.540 120.400 -0.058 0.000 2.062 2124 K HA 0.053 4.374 4.320 0.001 0.000 0.205 2124 K C 1.994 178.583 176.600 -0.018 0.000 1.051 2124 K CA 1.126 57.399 56.287 -0.023 0.000 0.941 2124 K CB -0.135 32.346 32.500 -0.032 0.000 0.719 2124 K HN 0.224 nan 8.250 nan 0.000 0.440 2125 A N 1.556 124.362 122.820 -0.023 0.000 1.933 2125 A HA -0.173 4.147 4.320 0.001 0.000 0.218 2125 A C 2.080 179.623 177.584 -0.069 0.000 1.175 2125 A CA 1.214 53.211 52.037 -0.067 0.000 0.628 2125 A CB -0.531 18.495 19.000 0.044 0.000 0.814 2125 A HN 0.262 nan 8.150 nan 0.000 0.444 2126 L N -1.541 119.670 121.223 -0.019 0.000 1.970 2126 L HA -0.125 4.215 4.340 0.001 0.000 0.212 2126 L C 2.200 179.056 176.870 -0.022 0.000 1.071 2126 L CA 2.531 57.351 54.840 -0.034 0.000 0.751 2126 L CB -0.852 41.187 42.059 -0.034 0.000 0.889 2126 L HN 0.385 nan 8.230 nan 0.000 0.432 2127 F N -0.026 119.834 119.950 -0.150 0.000 2.171 2127 F HA -0.175 4.353 4.527 0.001 0.000 0.300 2127 F C 2.467 178.179 175.800 -0.146 0.000 1.090 2127 F CA 1.642 59.553 58.000 -0.148 0.000 1.293 2127 F CB -0.638 38.277 39.000 -0.141 0.000 1.013 2127 F HN 0.161 nan 8.300 nan 0.000 0.486 2128 S N -0.508 115.066 115.700 -0.211 0.000 2.356 2128 S HA -0.200 4.270 4.470 0.001 0.000 0.223 2128 S C 2.002 176.413 174.600 -0.315 0.000 1.032 2128 S CA 1.837 59.808 58.200 -0.381 0.000 1.005 2128 S CB -0.755 62.113 63.200 -0.554 0.000 0.867 2128 S HN 0.468 nan 8.310 nan 0.000 0.449 2129 T N 2.861 117.290 114.554 -0.209 0.000 2.708 2129 T HA 0.022 4.373 4.350 0.001 0.000 0.266 2129 T C 1.602 176.289 174.700 -0.022 0.000 1.037 2129 T CA 1.002 63.142 62.100 0.068 0.000 1.146 2129 T CB -0.430 68.473 68.868 0.059 0.000 0.865 2129 T HN 0.274 nan 8.240 nan 0.000 0.435 2130 L N -0.024 121.102 121.223 -0.162 0.000 2.622 2130 L HA 0.075 4.415 4.340 0.001 0.000 0.233 2130 L C 2.266 179.010 176.870 -0.211 0.000 1.156 2130 L CA 0.781 55.509 54.840 -0.187 0.000 0.866 2130 L CB -0.154 41.737 42.059 -0.280 0.000 0.980 2130 L HN 0.080 nan 8.230 nan 0.000 0.448 2131 K N 0.081 120.313 120.400 -0.281 0.000 2.403 2131 K HA 0.089 4.409 4.320 0.001 0.000 0.199 2131 K C 0.892 177.424 176.600 -0.114 0.000 1.199 2131 K CA 0.549 56.663 56.287 -0.287 0.000 0.924 2131 K CB 0.649 32.785 32.500 -0.607 0.000 1.137 2131 K HN 0.119 nan 8.250 nan 0.000 0.510 2132 E N 0.167 120.345 120.200 -0.036 0.000 2.585 2132 E HA 0.199 4.550 4.350 0.001 0.000 0.206 2132 E C -0.775 175.903 176.600 0.129 0.000 1.007 2132 E CA -0.118 56.320 56.400 0.064 0.000 1.028 2132 E CB 1.273 31.042 29.700 0.114 0.000 1.087 2132 E HN -0.037 nan 8.360 nan 0.000 0.455 2133 T N -0.107 114.520 114.554 0.122 0.000 2.841 2133 T HA 0.168 4.519 4.350 0.001 0.000 0.296 2133 T C -1.286 173.503 174.700 0.148 0.000 1.166 2133 T CA -0.827 61.355 62.100 0.137 0.000 1.007 2133 T CB 2.027 71.019 68.868 0.206 0.000 1.253 2133 T HN -0.105 nan 8.240 nan 0.000 0.511 2134 D N 1.647 122.137 120.400 0.150 0.000 2.325 2134 D HA 0.328 4.969 4.640 0.001 0.000 0.251 2134 D C 0.793 177.256 176.300 0.271 0.000 1.196 2134 D CA 0.009 54.099 54.000 0.151 0.000 0.866 2134 D CB 0.828 41.674 40.800 0.077 0.000 1.101 2134 D HN 0.573 nan 8.370 nan 0.000 0.476 2135 T N 0.469 115.202 114.554 0.298 0.000 3.215 2135 T HA 0.214 4.564 4.350 0.001 0.000 0.271 2135 T C 1.487 176.330 174.700 0.237 0.000 1.012 2135 T CA -0.437 61.950 62.100 0.478 0.000 0.899 2135 T CB 0.143 69.350 68.868 0.565 0.000 1.089 2135 T HN 0.212 nan 8.240 nan 0.000 0.552 2136 R N 1.484 122.052 120.500 0.112 0.000 2.083 2136 R HA -0.061 4.279 4.340 0.001 0.000 0.237 2136 R C 1.885 178.205 176.300 0.033 0.000 1.137 2136 R CA 1.768 57.875 56.100 0.012 0.000 0.951 2136 R CB -0.323 29.965 30.300 -0.020 0.000 0.851 2136 R HN 0.351 nan 8.270 nan 0.000 0.434 2137 N N -0.159 118.568 118.700 0.045 0.000 2.188 2137 N HA -0.078 4.662 4.740 0.001 0.000 0.184 2137 N C 1.426 177.024 175.510 0.147 0.000 1.018 2137 N CA 1.145 54.250 53.050 0.091 0.000 0.858 2137 N CB -0.121 38.296 38.487 -0.116 0.000 0.989 2137 N HN 0.109 nan 8.380 nan 0.000 0.426 2138 F N 0.936 121.030 119.950 0.240 0.000 2.113 2138 F HA -0.033 4.494 4.527 0.001 0.000 0.297 2138 F C 2.347 178.033 175.800 -0.190 0.000 1.103 2138 F CA 0.856 58.904 58.000 0.080 0.000 1.248 2138 F CB -0.142 38.957 39.000 0.164 0.000 0.999 2138 F HN -0.059 nan 8.300 nan 0.000 0.475 2139 K N 0.051 120.261 120.400 -0.317 0.000 2.063 2139 K HA -0.246 4.074 4.320 0.001 0.000 0.208 2139 K C 2.134 178.547 176.600 -0.312 0.000 1.048 2139 K CA 1.642 57.377 56.287 -0.920 0.000 0.928 2139 K CB -0.427 31.445 32.500 -1.047 0.000 0.713 2139 K HN 0.198 nan 8.250 nan 0.000 0.442 2140 F N 1.724 121.526 119.950 -0.246 0.000 2.051 2140 F HA -0.158 4.369 4.527 0.001 0.000 0.296 2140 F C 2.017 177.762 175.800 -0.091 0.000 1.122 2140 F CA 1.632 59.538 58.000 -0.157 0.000 1.201 2140 F CB -0.519 38.415 39.000 -0.110 0.000 0.978 2140 F HN -0.102 nan 8.300 nan 0.000 0.472 2141 R N -0.959 119.264 120.500 -0.461 0.000 2.159 2141 R HA -0.191 4.150 4.340 0.001 0.000 0.237 2141 R C 1.879 178.120 176.300 -0.099 0.000 1.131 2141 R CA 1.726 57.560 56.100 -0.444 0.000 0.982 2141 R CB -1.089 29.059 30.300 -0.253 0.000 0.868 2141 R HN 0.613 nan 8.270 nan 0.000 0.453 2142 W N 1.249 122.385 121.300 -0.274 0.000 2.408 2142 W HA -0.123 4.538 4.660 0.001 0.000 0.311 2142 W C 1.712 178.138 176.519 -0.155 0.000 1.190 2142 W CA 1.250 58.529 57.345 -0.109 0.000 1.321 2142 W CB -0.248 29.129 29.460 -0.138 0.000 1.143 2142 W HN 0.063 nan 8.180 nan 0.000 0.501 2143 Q N -0.108 119.457 119.800 -0.391 0.000 2.096 2143 Q HA -0.246 4.095 4.340 0.001 0.000 0.204 2143 Q C 2.126 177.865 176.000 -0.435 0.000 0.982 2143 Q CA 1.772 57.132 55.803 -0.737 0.000 0.850 2143 Q CB -0.799 27.541 28.738 -0.663 0.000 0.901 2143 Q HN 0.298 nan 8.270 nan 0.000 0.422 2144 L N 1.337 122.354 121.223 -0.343 0.000 1.955 2144 L HA -0.223 4.118 4.340 0.001 0.000 0.213 2144 L C 2.217 178.943 176.870 -0.240 0.000 1.072 2144 L CA 2.116 56.793 54.840 -0.272 0.000 0.755 2144 L CB -0.618 41.181 42.059 -0.433 0.000 0.888 2144 L HN 0.215 nan 8.230 nan 0.000 0.432 2145 E N -1.410 118.636 120.200 -0.256 0.000 2.333 2145 E HA -0.166 4.184 4.350 0.001 0.000 0.198 2145 E C 1.885 178.311 176.600 -0.290 0.000 1.007 2145 E CA 0.929 57.148 56.400 -0.301 0.000 0.845 2145 E CB 0.086 29.500 29.700 -0.477 0.000 0.766 2145 E HN 0.591 nan 8.360 nan 0.000 0.507 2146 S N 0.575 116.060 115.700 -0.358 0.000 2.345 2146 S HA -0.080 4.390 4.470 0.001 0.000 0.220 2146 S C 1.830 176.355 174.600 -0.125 0.000 1.031 2146 S CA 0.877 58.858 58.200 -0.366 0.000 0.996 2146 S CB -0.152 62.647 63.200 -0.668 0.000 0.882 2146 S HN 0.313 nan 8.310 nan 0.000 0.445 2147 L N 0.332 121.543 121.223 -0.021 0.000 2.362 2147 L HA 0.066 4.407 4.340 0.001 0.000 0.219 2147 L C -0.233 176.664 176.870 0.045 0.000 1.134 2147 L CA 0.334 55.248 54.840 0.122 0.000 0.807 2147 L CB -0.509 41.644 42.059 0.157 0.000 0.927 2147 L HN 0.188 nan 8.230 nan 0.000 0.447 2148 K N 0.116 120.477 120.400 -0.066 0.000 6.595 2148 K HA -0.143 4.177 4.320 0.001 0.000 0.817 2148 K C -0.310 176.223 176.600 -0.111 0.000 2.257 2148 K CA 0.703 56.924 56.287 -0.110 0.000 1.680 2148 K CB -1.007 31.455 32.500 -0.063 0.000 2.220 2148 K HN 0.117 nan 8.250 nan 0.000 0.275 2149 S N 3.077 118.674 115.700 -0.172 0.000 2.479 2149 S HA 0.388 4.858 4.470 0.001 0.000 0.169 2149 S C -0.887 173.576 174.600 -0.230 0.000 1.181 2149 S CA -0.526 57.577 58.200 -0.161 0.000 1.169 2149 S CB 0.174 63.303 63.200 -0.119 0.000 1.384 2149 S HN 0.451 nan 8.310 nan 0.000 0.412 2150 Q N 1.159 120.790 119.800 -0.282 0.000 3.111 2150 Q HA 0.472 4.812 4.340 0.001 0.000 0.372 2150 Q C -0.288 175.490 176.000 -0.371 0.000 0.781 2150 Q CA -0.847 54.705 55.803 -0.419 0.000 0.866 2150 Q CB 0.851 29.162 28.738 -0.711 0.000 1.351 2150 Q HN 0.511 nan 8.270 nan 0.000 0.453 2151 E N 0.058 119.941 120.200 -0.529 0.000 2.702 2151 E HA 0.087 4.437 4.350 0.001 0.000 0.225 2151 E C -0.680 175.827 176.600 -0.154 0.000 0.942 2151 E CA 0.087 56.332 56.400 -0.259 0.000 1.210 2151 E CB 0.794 30.431 29.700 -0.104 0.000 1.143 2151 E HN 0.473 nan 8.360 nan 0.000 0.544 2152 F N -0.206 119.691 119.950 -0.088 0.000 2.619 2152 F HA 0.559 5.086 4.527 0.001 0.000 0.382 2152 F C -0.821 174.912 175.800 -0.113 0.000 1.466 2152 F CA -1.131 56.815 58.000 -0.090 0.000 1.137 2152 F CB 0.878 39.827 39.000 -0.086 0.000 1.205 2152 F HN -0.158 nan 8.300 nan 0.000 0.525 2153 V N 1.947 121.791 119.914 -0.116 0.000 2.857 2153 V HA 0.548 4.669 4.120 0.001 0.000 0.267 2153 V C -0.769 175.259 176.094 -0.109 0.000 1.193 2153 V CA 0.315 62.550 62.300 -0.109 0.000 0.933 2153 V CB 0.832 32.541 31.823 -0.191 0.000 1.073 2153 V HN 0.912 nan 8.190 nan 0.000 0.479 2160 D N -1.889 118.533 120.400 0.037 0.000 4.531 2160 D HA 0.424 5.065 4.640 0.001 0.000 0.189 2160 D C -1.046 175.225 176.300 -0.048 0.000 1.789 2160 D CA 0.007 54.000 54.000 -0.012 0.000 1.038 2160 D CB 0.816 41.596 40.800 -0.034 0.000 2.493 2160 D HN 0.385 nan 8.370 nan 0.000 0.453 2161 T N -0.584 113.922 114.554 -0.079 0.000 3.424 2161 T HA 0.567 4.918 4.350 0.001 0.000 0.293 2161 T C -1.358 173.289 174.700 -0.088 0.000 0.788 2161 T CA -0.395 61.658 62.100 -0.078 0.000 1.337 2161 T CB 0.824 69.669 68.868 -0.039 0.000 0.948 2161 T HN 0.745 nan 8.240 nan 0.000 0.534 2162 R N 2.071 122.477 120.500 -0.157 0.000 1.654 2162 R HA -0.145 4.196 4.340 0.001 0.000 0.396 2162 R C -0.333 175.916 176.300 -0.085 0.000 1.258 2162 R CA 0.915 56.938 56.100 -0.129 0.000 1.036 2162 R CB -1.442 28.838 30.300 -0.033 0.000 3.126 2162 R HN 0.711 nan 8.270 nan 0.000 0.490 2163 N N 2.296 120.932 118.700 -0.106 0.000 2.036 2163 N HA 0.172 4.913 4.740 0.001 0.000 0.224 2163 N C 0.512 176.263 175.510 0.401 0.000 1.381 2163 N CA 0.249 53.345 53.050 0.077 0.000 0.746 2163 N CB 0.079 38.568 38.487 0.002 0.000 1.213 2163 N HN 0.506 nan 8.380 nan 0.000 0.524 2164 W N 0.770 122.174 121.300 0.173 0.000 2.376 2164 W HA -0.013 4.647 4.660 0.001 0.000 0.324 2164 W C 1.620 178.290 176.519 0.250 0.000 1.191 2164 W CA 0.209 57.690 57.345 0.227 0.000 1.282 2164 W CB -0.269 29.288 29.460 0.162 0.000 1.185 2164 W HN 0.083 nan 8.180 nan 0.000 0.458 2165 N N 0.943 119.912 118.700 0.448 0.000 2.503 2165 N HA -0.153 4.588 4.740 0.001 0.000 0.189 2165 N C 0.517 176.223 175.510 0.327 0.000 1.048 2165 N CA 1.836 55.070 53.050 0.307 0.000 0.905 2165 N CB -0.453 38.164 38.487 0.216 0.000 0.951 2165 N HN 0.360 nan 8.380 nan 0.000 0.446 2166 D N 0.267 120.878 120.400 0.351 0.000 2.278 2166 D HA -0.080 4.561 4.640 0.001 0.000 0.228 2166 D C 1.563 178.051 176.300 0.313 0.000 1.020 2166 D CA 0.393 54.564 54.000 0.285 0.000 0.922 2166 D CB -0.590 40.353 40.800 0.239 0.000 1.051 2166 D HN 0.177 nan 8.370 nan 0.000 0.452 2167 E N -0.283 120.173 120.200 0.426 0.000 2.339 2167 E HA -0.219 4.131 4.350 0.001 0.000 0.201 2167 E C 1.252 178.020 176.600 0.280 0.000 1.015 2167 E CA 0.759 57.427 56.400 0.447 0.000 0.841 2167 E CB -0.031 30.120 29.700 0.751 0.000 0.754 2167 E HN 0.518 nan 8.360 nan 0.000 0.508 2168 W N 0.879 122.182 121.300 0.005 0.000 2.539 2168 W HA -0.070 4.590 4.660 0.001 0.000 0.281 2168 W C 0.802 177.200 176.519 -0.202 0.000 1.220 2168 W CA 0.979 58.123 57.345 -0.334 0.000 1.332 2168 W CB -0.023 29.297 29.460 -0.234 0.000 1.095 2168 W HN 0.018 nan 8.180 nan 0.000 0.571 2169 D N 1.065 121.448 120.400 -0.028 0.000 2.123 2169 D HA -0.231 4.409 4.640 0.001 0.000 0.196 2169 D C 1.496 177.693 176.300 -0.172 0.000 0.992 2169 D CA 1.930 55.858 54.000 -0.121 0.000 0.833 2169 D CB -0.574 40.254 40.800 0.046 0.000 0.954 2169 D HN 0.163 nan 8.370 nan 0.000 0.455 2170 N N -0.280 118.367 118.700 -0.089 0.000 2.443 2170 N HA -0.062 4.679 4.740 0.001 0.000 0.184 2170 N C 1.490 176.927 175.510 -0.121 0.000 1.037 2170 N CA 0.430 53.445 53.050 -0.059 0.000 0.896 2170 N CB -0.115 38.383 38.487 0.019 0.000 0.959 2170 N HN 0.248 nan 8.380 nan 0.000 0.442 2171 L N -0.093 120.955 121.223 -0.292 0.000 2.240 2171 L HA 0.087 4.427 4.340 0.001 0.000 0.211 2171 L C 1.680 178.367 176.870 -0.304 0.000 1.106 2171 L CA 0.615 55.253 54.840 -0.337 0.000 0.793 2171 L CB -0.226 41.358 42.059 -0.792 0.000 0.927 2171 L HN 0.166 nan 8.230 nan 0.000 0.446 2172 I N -0.331 119.982 120.570 -0.428 0.000 2.439 2172 I HA -0.204 3.966 4.170 0.001 0.000 0.251 2172 I C 2.329 178.472 176.117 0.044 0.000 1.139 2172 I CA 1.077 62.226 61.300 -0.251 0.000 1.438 2172 I CB -0.238 37.576 38.000 -0.311 0.000 1.085 2172 I HN 0.177 nan 8.210 nan 0.000 0.427 2173 K N 0.784 121.175 120.400 -0.015 0.000 2.097 2173 K HA -0.051 4.269 4.320 0.001 0.000 0.205 2173 K C 2.146 178.698 176.600 -0.080 0.000 1.050 2173 K CA 1.284 57.565 56.287 -0.009 0.000 0.938 2173 K CB -0.103 32.385 32.500 -0.020 0.000 0.718 2173 K HN 0.272 nan 8.250 nan 0.000 0.442 2174 M N 0.277 119.838 119.600 -0.064 0.000 2.296 2174 M HA -0.088 4.393 4.480 0.001 0.000 0.265 2174 M C 2.212 178.416 176.300 -0.161 0.000 1.064 2174 M CA 1.110 56.347 55.300 -0.105 0.000 1.109 2174 M CB -0.248 32.287 32.600 -0.108 0.000 1.396 2174 M HN 0.152 nan 8.290 nan 0.000 0.430 2175 A N 0.399 123.170 122.820 -0.082 0.000 2.119 2175 A HA -0.005 4.316 4.320 0.001 0.000 0.217 2175 A C 1.405 178.858 177.584 -0.218 0.000 1.153 2175 A CA 0.735 52.737 52.037 -0.059 0.000 0.692 2175 A CB -0.546 18.537 19.000 0.137 0.000 0.799 2175 A HN 0.523 nan 8.150 nan 0.000 0.458 2176 S N -0.619 114.795 115.700 -0.477 0.000 2.600 2176 S HA 0.239 4.710 4.470 0.001 0.000 0.265 2176 S C 1.033 175.313 174.600 -0.533 0.000 1.325 2176 S CA 0.389 58.005 58.200 -0.973 0.000 1.002 2176 S CB 0.742 63.289 63.200 -1.089 0.000 0.921 2176 S HN 0.668 nan 8.310 nan 0.000 0.554 2177 T N -1.890 112.356 114.554 -0.513 0.000 3.148 2177 T HA 0.106 4.456 4.350 0.001 0.000 0.253 2177 T C -0.131 174.534 174.700 -0.058 0.000 1.134 2177 T CA -0.234 61.650 62.100 -0.361 0.000 1.051 2177 T CB -0.748 67.928 68.868 -0.319 0.000 0.959 2177 T HN 0.583 nan 8.240 nan 0.000 0.525 2178 D N 2.652 122.980 120.400 -0.121 0.000 2.378 2178 D HA 0.217 4.857 4.640 0.001 0.000 0.238 2178 D C 0.077 176.410 176.300 0.054 0.000 1.180 2178 D CA 0.302 54.281 54.000 -0.035 0.000 0.895 2178 D CB 0.689 41.429 40.800 -0.099 0.000 1.192 2178 D HN 0.191 nan 8.370 nan 0.000 0.438 2179 T N 1.708 116.275 114.554 0.023 0.000 2.837 2179 T HA 0.489 4.839 4.350 0.001 0.000 0.285 2179 T C -2.090 172.596 174.700 -0.023 0.000 0.984 2179 T CA -1.181 60.912 62.100 -0.010 0.000 1.049 2179 T CB 1.343 70.176 68.868 -0.058 0.000 0.947 2179 T HN 0.129 nan 8.240 nan 0.000 0.472 2180 P HA 0.304 nan 4.420 nan 0.000 0.274 2180 P C -0.048 177.234 177.300 -0.029 0.000 1.246 2180 P CA -0.759 62.326 63.100 -0.026 0.000 0.795 2180 P CB 0.406 32.091 31.700 -0.026 0.000 1.006 2181 M N 2.033 121.620 119.600 -0.020 0.000 3.435 2181 M HA 0.380 4.861 4.480 0.001 0.000 0.205 2181 M C 0.161 176.448 176.300 -0.020 0.000 1.324 2181 M CA -0.369 54.920 55.300 -0.018 0.000 1.455 2181 M CB -1.882 30.712 32.600 -0.010 0.000 1.240 2181 M HN 0.471 nan 8.290 nan 0.000 0.477 2182 A N 0.631 123.433 122.820 -0.029 0.000 2.610 2182 A HA -0.262 4.058 4.320 0.001 0.000 0.299 2182 A C 1.498 179.068 177.584 -0.023 0.000 1.487 2182 A CA 1.134 53.153 52.037 -0.030 0.000 0.743 2182 A CB -2.158 16.826 19.000 -0.028 0.000 1.070 2182 A HN 0.826 nan 8.150 nan 0.000 0.439 2183 R N -0.608 119.879 120.500 -0.022 0.000 2.280 2183 R HA 0.061 4.402 4.340 0.001 0.000 0.207 2183 R C 1.276 177.564 176.300 -0.021 0.000 1.043 2183 R CA 1.691 57.782 56.100 -0.015 0.000 1.006 2183 R CB -0.069 30.225 30.300 -0.010 0.000 0.885 2183 R HN 0.642 nan 8.270 nan 0.000 0.467 2184 S N -2.787 112.894 115.700 -0.031 0.000 2.483 2184 S HA 0.210 4.680 4.470 0.001 0.000 0.280 2184 S C 0.298 174.875 174.600 -0.038 0.000 1.059 2184 S CA 0.049 58.226 58.200 -0.038 0.000 1.359 2184 S CB 1.794 64.957 63.200 -0.062 0.000 1.171 2184 S HN 0.463 nan 8.310 nan 0.000 0.625 2185 G N 1.845 110.621 108.800 -0.040 0.000 2.173 2185 G HA2 -0.113 3.847 3.960 0.001 0.000 0.174 2185 G HA3 -0.113 3.847 3.960 0.001 0.000 0.174 2185 G C -0.542 174.328 174.900 -0.051 0.000 1.025 2185 G CA -0.400 44.675 45.100 -0.042 0.000 0.706 2185 G HN 0.269 nan 8.290 nan 0.000 0.499 2186 L N -0.039 121.149 121.223 -0.060 0.000 2.319 2186 L HA 0.517 4.857 4.340 0.001 0.000 0.267 2186 L C 1.590 178.378 176.870 -0.137 0.000 1.011 2186 L CA -0.461 54.335 54.840 -0.073 0.000 0.818 2186 L CB 1.232 43.269 42.059 -0.037 0.000 1.316 2186 L HN 0.315 nan 8.230 nan 0.000 0.432 2187 Q N 0.709 120.374 119.800 -0.225 0.000 2.226 2187 Q HA -0.072 4.268 4.340 0.001 0.000 0.204 2187 Q C -0.705 174.851 176.000 -0.741 0.000 0.975 2187 Q CA 1.541 57.050 55.803 -0.490 0.000 0.866 2187 Q CB 0.298 28.672 28.738 -0.606 0.000 0.915 2187 Q HN 0.588 nan 8.270 nan 0.000 0.440 2188 Y N -0.382 119.902 120.300 -0.027 0.000 2.634 2188 Y HA 0.344 4.894 4.550 0.001 0.000 0.340 2188 Y C -0.221 175.638 175.900 -0.068 0.000 1.058 2188 Y CA -1.735 56.330 58.100 -0.059 0.000 1.081 2188 Y CB 1.119 39.536 38.460 -0.072 0.000 1.295 2188 Y HN -0.065 nan 8.280 nan 0.000 0.487 2189 N N 0.648 119.411 118.700 0.104 0.000 2.518 2189 N HA 0.109 4.849 4.740 0.001 0.000 0.266 2189 N C -0.819 174.676 175.510 -0.026 0.000 1.196 2189 N CA 0.001 53.051 53.050 0.000 0.000 0.947 2189 N CB 1.123 39.581 38.487 -0.049 0.000 1.098 2189 N HN 0.472 nan 8.380 nan 0.000 0.450 2190 S N 1.203 116.883 115.700 -0.033 0.000 2.580 2190 S HA 0.331 4.801 4.470 0.001 0.000 0.274 2190 S C 0.519 175.054 174.600 -0.108 0.000 1.329 2190 S CA -0.563 57.629 58.200 -0.012 0.000 1.036 2190 S CB 0.547 63.758 63.200 0.018 0.000 0.919 2190 S HN 0.265 nan 8.310 nan 0.000 0.515 2191 L N 2.270 123.408 121.223 -0.141 0.000 2.334 2191 L HA 0.582 4.922 4.340 0.001 0.000 0.272 2191 L C 0.394 177.208 176.870 -0.093 0.000 1.020 2191 L CA -0.737 53.841 54.840 -0.437 0.000 0.812 2191 L CB 1.307 43.085 42.059 -0.468 0.000 1.264 2191 L HN 0.735 nan 8.230 nan 0.000 0.439 2192 E N -0.358 119.911 120.200 0.114 0.000 2.396 2192 E HA 0.339 4.690 4.350 0.001 0.000 0.251 2192 E C 0.101 176.927 176.600 0.378 0.000 0.949 2192 E CA -0.735 55.867 56.400 0.337 0.000 0.834 2192 E CB 0.896 30.836 29.700 0.399 0.000 1.309 2192 E HN 0.476 nan 8.360 nan 0.000 0.405 2193 E N 0.105 120.532 120.200 0.377 0.000 2.082 2193 E HA -0.278 4.072 4.350 0.001 0.000 0.215 2193 E C 1.663 178.589 176.600 0.543 0.000 1.048 2193 E CA 2.033 58.723 56.400 0.483 0.000 0.869 2193 E CB -0.482 29.573 29.700 0.591 0.000 0.773 2193 E HN 0.565 nan 8.360 nan 0.000 0.466 2194 I N 0.770 121.633 120.570 0.489 0.000 2.248 2194 I HA -0.292 3.879 4.170 0.001 0.000 0.248 2194 I C 1.719 177.781 176.117 -0.092 0.000 1.107 2194 I CA 1.835 63.143 61.300 0.013 0.000 1.373 2194 I CB -0.333 37.595 38.000 -0.121 0.000 1.055 2194 I HN 0.170 nan 8.210 nan 0.000 0.418 2195 H N -0.132 118.917 119.070 -0.034 0.000 2.353 2195 H HA -0.064 4.492 4.556 0.001 0.000 0.300 2195 H C 2.240 177.464 175.328 -0.174 0.000 1.090 2195 H CA 2.198 58.157 56.048 -0.148 0.000 1.327 2195 H CB -0.356 29.309 29.762 -0.162 0.000 1.383 2195 H HN 0.338 nan 8.280 nan 0.000 0.508 2196 I N -0.388 120.138 120.570 -0.073 0.000 2.286 2196 I HA -0.247 3.923 4.170 0.001 0.000 0.248 2196 I C 2.010 178.013 176.117 -0.191 0.000 1.115 2196 I CA 1.106 62.205 61.300 -0.335 0.000 1.392 2196 I CB -0.291 37.230 38.000 -0.798 0.000 1.065 2196 I HN 0.181 nan 8.210 nan 0.000 0.418 2197 F N 1.466 121.392 119.950 -0.040 0.000 2.102 2197 F HA -0.200 4.327 4.527 0.001 0.000 0.298 2197 F C 2.410 178.208 175.800 -0.004 0.000 1.105 2197 F CA 1.597 59.674 58.000 0.128 0.000 1.239 2197 F CB -0.131 38.992 39.000 0.204 0.000 0.991 2197 F HN -0.257 nan 8.300 nan 0.000 0.474 2198 V N 0.880 120.726 119.914 -0.113 0.000 2.332 2198 V HA -0.324 3.796 4.120 0.001 0.000 0.248 2198 V C 2.451 178.403 176.094 -0.238 0.000 1.055 2198 V CA 1.923 63.993 62.300 -0.383 0.000 1.038 2198 V CB -0.792 30.699 31.823 -0.554 0.000 0.651 2198 V HN 0.463 nan 8.190 nan 0.000 0.450 2199 L N 0.705 121.816 121.223 -0.187 0.000 2.012 2199 L HA -0.251 4.089 4.340 0.001 0.000 0.210 2199 L C 2.690 179.476 176.870 -0.139 0.000 1.073 2199 L CA 2.613 57.366 54.840 -0.145 0.000 0.748 2199 L CB -0.435 41.509 42.059 -0.192 0.000 0.891 2199 L HN 0.713 nan 8.230 nan 0.000 0.431 2200 C N -1.335 117.851 119.300 -0.191 0.000 2.432 2200 C HA -0.043 4.418 4.460 0.001 0.000 0.282 2200 C C 2.320 177.199 174.990 -0.185 0.000 1.388 2200 C CA 0.256 59.166 59.018 -0.180 0.000 1.777 2200 C CB -1.499 26.144 27.740 -0.162 0.000 1.882 2200 C HN 0.547 nan 8.230 nan 0.000 0.520 2201 N N 1.477 120.071 118.700 -0.177 0.000 2.250 2201 N HA 0.123 4.864 4.740 0.001 0.000 0.181 2201 N C 1.745 177.262 175.510 0.012 0.000 1.017 2201 N CA 1.266 54.277 53.050 -0.065 0.000 0.866 2201 N CB -0.251 38.295 38.487 0.098 0.000 0.985 2201 N HN 0.584 nan 8.380 nan 0.000 0.429 2202 I N 1.052 121.673 120.570 0.085 0.000 2.361 2202 I HA -0.200 3.970 4.170 0.001 0.000 0.251 2202 I C 1.818 178.076 176.117 0.234 0.000 1.133 2202 I CA 0.928 62.363 61.300 0.224 0.000 1.413 2202 I CB -0.044 38.085 38.000 0.216 0.000 1.073 2202 I HN 0.065 nan 8.210 nan 0.000 0.424 2203 L N -0.187 121.085 121.223 0.082 0.000 2.446 2203 L HA 0.080 4.421 4.340 0.001 0.000 0.219 2203 L C 0.615 177.340 176.870 -0.241 0.000 1.116 2203 L CA 0.181 55.052 54.840 0.053 0.000 0.844 2203 L CB -0.049 41.983 42.059 -0.045 0.000 0.970 2203 L HN 0.185 nan 8.230 nan 0.000 0.457 2204 R N 0.515 120.784 120.500 -0.386 0.000 3.333 2204 R HA -0.190 4.151 4.340 0.001 0.000 0.256 2204 R C 0.048 176.143 176.300 -0.342 0.000 1.010 2204 R CA 0.448 56.183 56.100 -0.608 0.000 0.680 2204 R CB -1.563 28.133 30.300 -1.006 0.000 1.102 2204 R HN 0.323 nan 8.270 nan 0.000 0.440 2205 R N 0.403 120.790 120.500 -0.188 0.000 2.566 2205 R HA 0.319 4.659 4.340 0.001 0.000 0.271 2205 R C -2.803 173.467 176.300 -0.050 0.000 1.071 2205 R CA -2.019 54.050 56.100 -0.050 0.000 0.915 2205 R CB 1.972 32.276 30.300 0.006 0.000 1.228 2205 R HN -0.166 nan 8.270 nan 0.000 0.449 2206 P HA 0.175 nan 4.420 nan 0.000 0.275 2206 P C -0.644 176.644 177.300 -0.019 0.000 1.227 2206 P CA 0.009 63.105 63.100 -0.006 0.000 0.781 2206 P CB 1.051 32.765 31.700 0.023 0.000 0.906 2207 I N 3.864 124.441 120.570 0.011 0.000 2.404 2207 I HA 0.425 4.595 4.170 0.001 0.000 0.293 2207 I C 0.376 176.578 176.117 0.141 0.000 0.992 2207 I CA -0.859 60.422 61.300 -0.032 0.000 1.149 2207 I CB 1.544 39.440 38.000 -0.173 0.000 1.315 2207 I HN 0.139 nan 8.210 nan 0.000 0.446 2208 I N 6.613 127.220 120.570 0.062 0.000 2.410 2208 I HA 0.321 4.491 4.170 0.001 0.000 0.286 2208 I C -0.670 175.524 176.117 0.129 0.000 1.009 2208 I CA -0.767 60.617 61.300 0.141 0.000 1.111 2208 I CB 2.038 40.079 38.000 0.068 0.000 1.262 2208 I HN 0.180 nan 8.210 nan 0.000 0.443 2209 V N 7.483 127.546 119.914 0.249 0.000 2.370 2209 V HA 0.383 4.504 4.120 0.001 0.000 0.279 2209 V C 0.251 176.471 176.094 0.209 0.000 1.029 2209 V CA -0.405 62.038 62.300 0.238 0.000 0.870 2209 V CB 1.582 33.612 31.823 0.344 0.000 0.984 2209 V HN 0.470 nan 8.190 nan 0.000 0.451 2210 I N 5.333 126.003 120.570 0.166 0.000 2.291 2210 I HA 0.337 4.508 4.170 0.001 0.000 0.290 2210 I C 0.616 176.822 176.117 0.148 0.000 1.050 2210 I CA 0.219 61.611 61.300 0.153 0.000 1.245 2210 I CB 1.159 39.240 38.000 0.135 0.000 1.405 2210 I HN 0.726 nan 8.210 nan 0.000 0.478 2211 S N 3.331 119.123 115.700 0.154 0.000 2.681 2211 S HA 0.411 4.882 4.470 0.001 0.000 0.299 2211 S C -0.676 173.964 174.600 0.067 0.000 1.113 2211 S CA -0.935 57.350 58.200 0.142 0.000 1.013 2211 S CB 2.163 65.501 63.200 0.230 0.000 1.076 2211 S HN 0.569 nan 8.310 nan 0.000 0.534 2212 D N -0.118 120.282 120.400 0.001 0.000 2.312 2212 D HA 0.291 4.931 4.640 0.001 0.000 0.252 2212 D C 0.884 177.178 176.300 -0.010 0.000 1.150 2212 D CA -0.466 53.518 54.000 -0.026 0.000 0.870 2212 D CB 1.179 41.928 40.800 -0.084 0.000 1.153 2212 D HN 0.698 nan 8.370 nan 0.000 0.457 2213 K N 2.929 123.326 120.400 -0.005 0.000 2.276 2213 K HA 0.145 4.466 4.320 0.001 0.000 0.198 2213 K C 0.685 177.277 176.600 -0.013 0.000 1.052 2213 K CA -0.031 56.254 56.287 -0.003 0.000 0.984 2213 K CB 0.058 32.553 32.500 -0.007 0.000 0.836 2213 K HN 0.314 nan 8.250 nan 0.000 0.490 2214 M N 2.314 121.902 119.600 -0.020 0.000 2.987 2214 M HA 0.008 4.489 4.480 0.001 0.000 0.331 2214 M C -0.394 175.893 176.300 -0.022 0.000 1.766 2214 M CA 1.020 56.307 55.300 -0.021 0.000 1.445 2214 M CB -0.651 31.936 32.600 -0.022 0.000 1.925 2214 M HN 0.340 nan 8.290 nan 0.000 0.467 2215 L N 2.290 123.504 121.223 -0.016 0.000 2.928 2215 L HA 0.207 4.547 4.340 0.001 0.000 0.318 2215 L C 1.417 178.283 176.870 -0.006 0.000 1.305 2215 L CA -0.102 54.731 54.840 -0.012 0.000 0.756 2215 L CB 0.428 42.481 42.059 -0.010 0.000 1.155 2215 L HN 0.590 nan 8.230 nan 0.000 0.561 2216 R N 0.447 120.942 120.500 -0.008 0.000 2.193 2216 R HA -0.088 4.252 4.340 0.001 0.000 0.229 2216 R C 1.395 177.694 176.300 -0.003 0.000 1.110 2216 R CA 1.712 57.808 56.100 -0.006 0.000 0.988 2216 R CB 0.289 30.585 30.300 -0.007 0.000 0.871 2216 R HN 0.486 nan 8.270 nan 0.000 0.458 2217 S N -0.257 115.441 115.700 -0.003 0.000 2.582 2217 S HA 0.183 4.653 4.470 0.001 0.000 0.234 2217 S C 0.591 175.193 174.600 0.003 0.000 0.961 2217 S CA -0.611 57.589 58.200 -0.000 0.000 0.953 2217 S CB -0.003 63.196 63.200 -0.002 0.000 0.800 2217 S HN 0.196 nan 8.310 nan 0.000 0.471 2218 L N 1.835 123.061 121.223 0.005 0.000 2.467 2218 L HA 0.235 4.575 4.340 0.001 0.000 0.270 2218 L C 0.075 176.955 176.870 0.016 0.000 1.205 2218 L CA 0.376 55.223 54.840 0.012 0.000 0.828 2218 L CB 0.589 42.657 42.059 0.014 0.000 1.101 2218 L HN 0.386 nan 8.230 nan 0.000 0.479 2219 E N 1.160 121.374 120.200 0.023 0.000 4.230 2219 E HA 0.057 4.408 4.350 0.001 0.000 0.216 2219 E C -0.396 176.223 176.600 0.033 0.000 1.132 2219 E CA -0.068 56.347 56.400 0.024 0.000 1.404 2219 E CB 0.625 30.338 29.700 0.021 0.000 1.183 2219 E HN 0.577 nan 8.360 nan 0.000 0.431 2220 S N 0.118 115.840 115.700 0.037 0.000 2.596 2220 S HA 0.560 5.031 4.470 0.001 0.000 0.248 2220 S C 0.715 175.339 174.600 0.041 0.000 1.162 2220 S CA -0.033 58.194 58.200 0.046 0.000 1.185 2220 S CB 0.482 63.715 63.200 0.054 0.000 0.833 2220 S HN 0.484 nan 8.310 nan 0.000 0.472 2227 L N 1.628 122.916 121.223 0.110 0.000 3.272 2227 L HA -0.118 4.223 4.340 0.001 0.000 0.701 2227 L C -0.183 176.770 176.870 0.139 0.000 1.155 2227 L CA 0.183 55.102 54.840 0.131 0.000 1.249 2227 L CB -0.643 41.487 42.059 0.118 0.000 1.796 2227 L HN 0.183 nan 8.230 nan 0.000 0.896 2228 K N 2.527 123.006 120.400 0.133 0.000 2.155 2228 K HA 0.284 4.604 4.320 0.001 0.000 0.240 2228 K C 1.070 177.810 176.600 0.233 0.000 1.193 2228 K CA 0.029 56.403 56.287 0.145 0.000 1.104 2228 K CB 0.414 32.965 32.500 0.085 0.000 1.558 2228 K HN 0.381 nan 8.250 nan 0.000 0.313 2229 V N 0.862 120.905 119.914 0.214 0.000 2.788 2229 V HA -0.043 4.077 4.120 0.001 0.000 0.251 2229 V C 1.439 177.724 176.094 0.318 0.000 1.068 2229 V CA 1.065 63.502 62.300 0.229 0.000 1.090 2229 V CB -0.578 31.219 31.823 -0.043 0.000 0.710 2229 V HN 0.769 nan 8.190 nan 0.000 0.467 2230 G N -0.001 108.969 108.800 0.283 0.000 2.474 2230 G HA2 0.432 4.393 3.960 0.001 0.000 0.233 2230 G HA3 0.432 4.393 3.960 0.001 0.000 0.233 2230 G C 0.319 175.434 174.900 0.358 0.000 1.278 2230 G CA 0.839 46.106 45.100 0.278 0.000 0.861 2230 G HN 0.942 nan 8.290 nan 0.000 0.567 2231 G N -0.017 108.964 108.800 0.302 0.000 2.340 2231 G HA2 0.236 4.196 3.960 0.001 0.000 0.282 2231 G HA3 0.236 4.196 3.960 0.001 0.000 0.282 2231 G C -1.111 173.859 174.900 0.116 0.000 1.312 2231 G CA -0.734 44.517 45.100 0.251 0.000 0.942 2231 G HN 0.870 nan 8.290 nan 0.000 0.495 2232 I N 0.697 121.285 120.570 0.030 0.000 2.362 2232 I HA 0.437 4.608 4.170 0.001 0.000 0.289 2232 I C -1.078 175.026 176.117 -0.021 0.000 0.994 2232 I CA -0.702 60.619 61.300 0.034 0.000 1.158 2232 I CB 1.542 39.549 38.000 0.012 0.000 1.315 2232 I HN 0.394 nan 8.210 nan 0.000 0.451 2233 Y N 6.695 127.081 120.300 0.144 0.000 2.402 2233 Y HA 0.512 5.063 4.550 0.001 0.000 0.332 2233 Y C -0.172 175.764 175.900 0.059 0.000 0.960 2233 Y CA -0.665 57.551 58.100 0.194 0.000 1.228 2233 Y CB 0.729 39.260 38.460 0.117 0.000 1.120 2233 Y HN 0.293 nan 8.280 nan 0.000 0.491 2234 L N 5.921 127.244 121.223 0.166 0.000 2.325 2234 L HA 0.438 4.778 4.340 0.001 0.000 0.279 2234 L C -1.918 174.771 176.870 -0.300 0.000 1.054 2234 L CA -2.196 52.560 54.840 -0.139 0.000 0.804 2234 L CB 1.765 43.642 42.059 -0.303 0.000 1.200 2234 L HN 0.359 nan 8.230 nan 0.000 0.436 2235 P HA 0.028 nan 4.420 nan 0.000 0.225 2235 P C 0.805 178.035 177.300 -0.116 0.000 1.768 2235 P CA -0.281 62.664 63.100 -0.258 0.000 0.943 2235 P CB 0.309 31.929 31.700 -0.134 0.000 1.936 2236 L N 0.329 121.469 121.223 -0.138 0.000 2.263 2236 L HA -0.158 4.182 4.340 0.001 0.000 0.216 2236 L C 1.867 178.946 176.870 0.349 0.000 1.111 2236 L CA 1.809 56.735 54.840 0.143 0.000 0.773 2236 L CB -1.584 40.664 42.059 0.314 0.000 0.906 2236 L HN 0.283 nan 8.230 nan 0.000 0.439 2237 H N -3.071 116.087 119.070 0.148 0.000 2.556 2237 H HA 0.057 4.613 4.556 0.001 0.000 0.268 2237 H C -0.529 174.834 175.328 0.058 0.000 0.996 2237 H CA -0.040 56.050 56.048 0.070 0.000 1.157 2237 H CB -0.245 29.512 29.762 -0.009 0.000 1.355 2237 H HN 0.174 nan 8.280 nan 0.000 0.597 2238 W N 0.105 121.498 121.300 0.154 0.000 3.029 2238 W HA 0.409 5.070 4.660 0.001 0.000 0.339 2238 W C -2.420 174.218 176.519 0.199 0.000 1.198 2238 W CA -2.489 54.925 57.345 0.116 0.000 1.148 2238 W CB 0.899 30.413 29.460 0.091 0.000 1.451 2238 W HN -0.235 nan 8.180 nan 0.000 0.564 2239 P HA 0.226 nan 4.420 nan 0.000 0.288 2239 P C 0.110 177.419 177.300 0.016 0.000 1.267 2239 P CA -0.050 63.129 63.100 0.132 0.000 0.815 2239 P CB 1.565 33.302 31.700 0.062 0.000 0.989 2240 A N 3.300 125.875 122.820 -0.408 0.000 2.139 2240 A HA -0.245 4.075 4.320 0.001 0.000 0.221 2240 A C 2.111 179.599 177.584 -0.161 0.000 1.159 2240 A CA 1.949 53.659 52.037 -0.546 0.000 0.662 2240 A CB -1.079 17.433 19.000 -0.812 0.000 0.796 2240 A HN 0.740 nan 8.150 nan 0.000 0.463 2241 Q N -0.803 118.953 119.800 -0.074 0.000 2.187 2241 Q HA -0.047 4.294 4.340 0.001 0.000 0.199 2241 Q C 1.221 177.255 176.000 0.056 0.000 0.957 2241 Q CA 1.350 57.149 55.803 -0.006 0.000 0.857 2241 Q CB -0.304 28.436 28.738 0.002 0.000 0.929 2241 Q HN 0.699 nan 8.270 nan 0.000 0.453 2242 E N -0.070 120.197 120.200 0.111 0.000 2.465 2242 E HA 0.125 4.476 4.350 0.001 0.000 0.191 2242 E C -0.358 176.284 176.600 0.071 0.000 1.053 2242 E CA -0.353 56.149 56.400 0.170 0.000 0.869 2242 E CB 0.551 30.476 29.700 0.375 0.000 0.977 2242 E HN 0.313 nan 8.360 nan 0.000 0.483 2243 C N 0.113 119.446 119.300 0.054 0.000 2.595 2243 C HA 0.358 4.819 4.460 0.001 0.000 0.338 2243 C C -0.220 174.829 174.990 0.099 0.000 1.219 2243 C CA -1.115 57.901 59.018 -0.003 0.000 1.811 2243 C CB 0.589 28.388 27.740 0.099 0.000 2.313 2243 C HN 0.261 nan 8.230 nan 0.000 0.499 2244 Y N 1.797 122.043 120.300 -0.089 0.000 2.359 2244 Y HA 0.274 4.825 4.550 0.001 0.000 0.334 2244 Y C 1.493 177.433 175.900 0.067 0.000 1.058 2244 Y CA -0.147 57.965 58.100 0.019 0.000 1.244 2244 Y CB 0.502 38.960 38.460 -0.003 0.000 1.187 2244 Y HN 0.562 nan 8.280 nan 0.000 0.510 2245 R N 4.674 125.115 120.500 -0.098 0.000 2.325 2245 R HA 0.018 4.359 4.340 0.001 0.000 0.214 2245 R C -1.072 174.932 176.300 -0.493 0.000 0.961 2245 R CA 0.213 56.161 56.100 -0.254 0.000 1.086 2245 R CB -0.145 29.972 30.300 -0.304 0.000 1.037 2245 R HN 0.480 nan 8.270 nan 0.000 0.493 2246 Y N 1.461 121.502 120.300 -0.432 0.000 2.341 2246 Y HA 0.322 4.872 4.550 0.001 0.000 0.337 2246 Y C -1.862 173.965 175.900 -0.122 0.000 1.014 2246 Y CA -3.064 54.851 58.100 -0.309 0.000 1.111 2246 Y CB 1.269 39.445 38.460 -0.473 0.000 1.194 2246 Y HN -0.035 nan 8.280 nan 0.000 0.462 2247 P HA 0.340 nan 4.420 nan 0.000 0.278 2247 P C -0.739 176.542 177.300 -0.032 0.000 1.266 2247 P CA -0.301 62.806 63.100 0.012 0.000 0.807 2247 P CB 1.862 33.553 31.700 -0.015 0.000 1.094 2248 I N 0.565 121.009 120.570 -0.211 0.000 2.339 2248 I HA 0.234 4.404 4.170 0.001 0.000 0.290 2248 I C -0.134 175.592 176.117 -0.651 0.000 0.994 2248 I CA -1.006 59.911 61.300 -0.639 0.000 1.191 2248 I CB 1.745 39.492 38.000 -0.422 0.000 1.343 2248 I HN -0.023 nan 8.210 nan 0.000 0.458 2249 V N 7.651 126.976 119.914 -0.983 0.000 2.370 2249 V HA 0.451 4.571 4.120 0.001 0.000 0.279 2249 V C 0.123 176.035 176.094 -0.304 0.000 1.029 2249 V CA -0.438 61.622 62.300 -0.401 0.000 0.870 2249 V CB 1.426 33.159 31.823 -0.150 0.000 0.984 2249 V HN 0.502 nan 8.190 nan 0.000 0.451 2250 L N 3.536 124.695 121.223 -0.107 0.000 2.319 2250 L HA 0.874 5.214 4.340 0.001 0.000 0.267 2250 L C 0.583 177.518 176.870 0.108 0.000 1.011 2250 L CA -0.558 54.298 54.840 0.026 0.000 0.818 2250 L CB 2.236 44.353 42.059 0.096 0.000 1.316 2250 L HN 0.737 nan 8.230 nan 0.000 0.432 2251 G N -0.032 108.845 108.800 0.129 0.000 2.432 2251 G HA2 0.561 4.521 3.960 0.001 0.000 0.331 2251 G HA3 0.561 4.521 3.960 0.001 0.000 0.331 2251 G C -2.280 172.676 174.900 0.093 0.000 1.170 2251 G CA -0.193 44.968 45.100 0.101 0.000 0.943 2251 G HN 0.392 nan 8.290 nan 0.000 0.483 2252 Y N 1.300 121.508 120.300 -0.154 0.000 2.433 2252 Y HA 0.413 4.963 4.550 0.001 0.000 0.337 2252 Y C -0.469 175.304 175.900 -0.212 0.000 1.026 2252 Y CA -1.223 56.654 58.100 -0.371 0.000 1.037 2252 Y CB 1.924 40.028 38.460 -0.594 0.000 1.245 2252 Y HN 0.790 nan 8.280 nan 0.000 0.443 2253 D N 0.826 120.772 120.400 -0.756 0.000 2.995 2253 D HA 0.193 4.834 4.640 0.001 0.000 0.208 2253 D C 1.490 177.348 176.300 -0.738 0.000 1.222 2253 D CA 0.654 54.330 54.000 -0.541 0.000 1.201 2253 D CB -0.506 40.134 40.800 -0.266 0.000 1.099 2253 D HN 0.357 nan 8.370 nan 0.000 0.449 2254 S N -1.831 113.625 115.700 -0.408 0.000 2.354 2254 S HA -0.226 4.244 4.470 0.001 0.000 0.219 2254 S C 0.891 175.289 174.600 -0.335 0.000 1.035 2254 S CA 1.478 59.519 58.200 -0.266 0.000 1.037 2254 S CB -0.562 62.582 63.200 -0.093 0.000 0.956 2254 S HN 0.611 nan 8.310 nan 0.000 0.428 2255 H N 0.341 119.224 119.070 -0.311 0.000 3.229 2255 H HA 0.361 4.917 4.556 0.001 0.000 0.211 2255 H C -1.447 173.979 175.328 0.163 0.000 1.364 2255 H CA -0.344 55.673 56.048 -0.051 0.000 1.270 2255 H CB -0.195 29.628 29.762 0.102 0.000 2.309 2255 H HN 0.633 nan 8.280 nan 0.000 0.520 2256 H N 0.056 119.091 119.070 -0.058 0.000 2.865 2256 H HA 0.381 4.937 4.556 0.001 0.000 0.362 2256 H C -1.527 173.853 175.328 0.088 0.000 1.114 2256 H CA -0.363 55.760 56.048 0.124 0.000 1.208 2256 H CB 0.801 30.594 29.762 0.052 0.000 1.727 2256 H HN 0.010 nan 8.280 nan 0.000 0.534 2257 F N 3.427 123.268 119.950 -0.182 0.000 2.425 2257 F HA 0.640 5.167 4.527 0.001 0.000 0.331 2257 F C -0.334 175.257 175.800 -0.349 0.000 1.085 2257 F CA -0.580 57.343 58.000 -0.128 0.000 1.028 2257 F CB 1.669 40.623 39.000 -0.076 0.000 1.177 2257 F HN 0.248 nan 8.300 nan 0.000 0.487 2258 V N 2.862 122.805 119.914 0.049 0.000 3.087 2258 V HA 0.452 4.573 4.120 0.001 0.000 0.306 2258 V C -2.530 173.617 176.094 0.088 0.000 1.187 2258 V CA -2.104 60.214 62.300 0.030 0.000 0.999 2258 V CB 2.838 34.676 31.823 0.026 0.000 1.049 2258 V HN 0.452 nan 8.190 nan 0.000 0.431 2259 P HA 0.475 nan 4.420 nan 0.000 0.282 2259 P C -0.988 176.401 177.300 0.148 0.000 1.249 2259 P CA -0.283 62.909 63.100 0.153 0.000 0.806 2259 P CB 0.670 32.498 31.700 0.213 0.000 0.984 2260 L N 2.594 123.928 121.223 0.186 0.000 2.504 2260 L HA 0.269 4.610 4.340 0.001 0.000 0.249 2260 L C 0.237 177.272 176.870 0.275 0.000 1.120 2260 L CA -0.997 53.931 54.840 0.146 0.000 0.997 2260 L CB 0.466 42.577 42.059 0.086 0.000 1.349 2260 L HN 0.177 nan 8.230 nan 0.000 0.439 2261 V N -1.169 118.847 119.914 0.170 0.000 2.686 2261 V HA 0.380 4.500 4.120 0.001 0.000 0.295 2261 V C 0.744 176.823 176.094 -0.025 0.000 1.055 2261 V CA -0.315 61.992 62.300 0.011 0.000 1.050 2261 V CB 0.817 32.544 31.823 -0.160 0.000 0.984 2261 V HN 0.508 nan 8.190 nan 0.000 0.482 2262 T N 5.325 119.852 114.554 -0.046 0.000 2.828 2262 T HA 0.458 4.808 4.350 0.001 0.000 0.290 2262 T C 0.140 174.781 174.700 -0.098 0.000 1.019 2262 T CA -0.458 61.612 62.100 -0.050 0.000 1.031 2262 T CB 0.812 69.663 68.868 -0.028 0.000 1.001 2262 T HN 0.623 nan 8.240 nan 0.000 0.531 2263 L N 1.587 122.754 121.223 -0.095 0.000 2.399 2263 L HA 0.322 4.663 4.340 0.001 0.000 0.266 2263 L C 1.778 178.588 176.870 -0.101 0.000 1.114 2263 L CA -0.478 54.292 54.840 -0.117 0.000 0.804 2263 L CB 1.098 43.092 42.059 -0.109 0.000 1.146 2263 L HN 0.771 nan 8.230 nan 0.000 0.451 2264 K N 0.821 121.154 120.400 -0.112 0.000 2.031 2264 K HA -0.110 4.210 4.320 0.001 0.000 0.205 2264 K C 0.236 176.791 176.600 -0.075 0.000 1.049 2264 K CA 1.648 57.878 56.287 -0.095 0.000 0.939 2264 K CB 0.327 32.760 32.500 -0.112 0.000 0.717 2264 K HN 0.699 nan 8.250 nan 0.000 0.438 2265 D N -0.643 119.713 120.400 -0.073 0.000 2.970 2265 D HA 0.005 4.646 4.640 0.001 0.000 0.236 2265 D C -0.249 176.025 176.300 -0.043 0.000 1.415 2265 D CA -0.131 53.837 54.000 -0.053 0.000 1.279 2265 D CB -0.649 40.121 40.800 -0.050 0.000 0.932 2265 D HN 0.042 nan 8.370 nan 0.000 0.216 2266 S N -0.164 115.511 115.700 -0.041 0.000 2.963 2266 S HA 0.168 4.638 4.470 0.001 0.000 0.360 2266 S C 0.768 175.350 174.600 -0.031 0.000 1.198 2266 S CA 1.041 59.221 58.200 -0.033 0.000 0.962 2266 S CB -0.854 62.324 63.200 -0.037 0.000 0.628 2266 S HN 0.906 nan 8.310 nan 0.000 0.446 2267 G N 4.685 113.471 108.800 -0.024 0.000 2.955 2267 G HA2 -0.137 3.823 3.960 0.001 0.000 0.604 2267 G HA3 -0.137 3.823 3.960 0.001 0.000 0.604 2267 G C -2.032 172.855 174.900 -0.022 0.000 1.572 2267 G CA -0.237 44.850 45.100 -0.022 0.000 1.016 2267 G HN 0.695 nan 8.290 nan 0.000 0.569 2268 P HA 0.197 nan 4.420 nan 0.000 0.255 2268 P C 0.450 177.737 177.300 -0.022 0.000 1.248 2268 P CA 0.227 63.316 63.100 -0.018 0.000 0.807 2268 P CB 0.310 32.001 31.700 -0.014 0.000 1.150 2269 E N 0.704 120.887 120.200 -0.029 0.000 2.422 2269 E HA 0.112 4.462 4.350 0.001 0.000 0.260 2269 E C 0.749 177.328 176.600 -0.034 0.000 1.108 2269 E CA -0.005 56.373 56.400 -0.037 0.000 0.943 2269 E CB -0.000 29.671 29.700 -0.048 0.000 0.961 2269 E HN 0.249 nan 8.360 nan 0.000 0.443 2270 I N -2.041 118.507 120.570 -0.037 0.000 2.664 2270 I HA 0.443 4.614 4.170 0.001 0.000 0.308 2270 I C -0.254 175.844 176.117 -0.030 0.000 0.984 2270 I CA -1.118 60.165 61.300 -0.028 0.000 1.213 2270 I CB 1.315 39.300 38.000 -0.024 0.000 1.379 2270 I HN 0.164 nan 8.210 nan 0.000 0.501 2271 R N 3.715 124.207 120.500 -0.012 0.000 2.272 2271 R HA 0.649 4.989 4.340 0.001 0.000 0.334 2271 R C -0.641 175.660 176.300 0.001 0.000 1.117 2271 R CA -0.123 55.976 56.100 -0.001 0.000 0.966 2271 R CB 0.494 30.808 30.300 0.024 0.000 1.049 2271 R HN 0.832 nan 8.270 nan 0.000 0.477 2272 A N 1.870 124.677 122.820 -0.022 0.000 2.605 2272 A HA 0.441 4.761 4.320 0.001 0.000 0.294 2272 A C -1.595 175.957 177.584 -0.054 0.000 1.062 2272 A CA -0.652 51.367 52.037 -0.031 0.000 0.682 2272 A CB 2.094 21.068 19.000 -0.045 0.000 1.278 2272 A HN 0.382 nan 8.150 nan 0.000 0.410 2273 V N 3.167 123.056 119.914 -0.042 0.000 2.376 2273 V HA 0.621 4.741 4.120 0.001 0.000 0.287 2273 V C -2.488 173.586 176.094 -0.033 0.000 1.015 2273 V CA -2.267 60.004 62.300 -0.049 0.000 0.834 2273 V CB 1.793 33.612 31.823 -0.007 0.000 1.001 2273 V HN 0.779 nan 8.190 nan 0.000 0.428 2274 P HA 0.010 nan 4.420 nan 0.000 0.263 2274 P C 0.381 177.759 177.300 0.131 0.000 1.175 2274 P CA 0.334 63.451 63.100 0.030 0.000 0.761 2274 P CB 0.678 32.368 31.700 -0.017 0.000 0.794 2275 L N 2.690 123.981 121.223 0.115 0.000 2.737 2275 L HA 0.171 4.511 4.340 0.001 0.000 0.236 2275 L C 0.871 177.815 176.870 0.124 0.000 1.219 2275 L CA -0.234 54.662 54.840 0.093 0.000 1.021 2275 L CB -0.314 41.763 42.059 0.030 0.000 1.291 2275 L HN 0.229 nan 8.230 nan 0.000 0.470 2276 V N -4.514 115.549 119.914 0.249 0.000 3.159 2276 V HA 0.577 4.697 4.120 0.001 0.000 0.308 2276 V C -0.810 175.478 176.094 0.323 0.000 1.190 2276 V CA -0.988 61.468 62.300 0.260 0.000 1.037 2276 V CB 2.300 34.311 31.823 0.313 0.000 1.060 2276 V HN 0.064 nan 8.190 nan 0.000 0.437 2277 N N 1.431 120.207 118.700 0.126 0.000 2.443 2277 N HA 0.384 5.124 4.740 0.001 0.000 0.295 2277 N C -0.521 174.786 175.510 -0.338 0.000 1.076 2277 N CA -0.628 52.362 53.050 -0.100 0.000 0.919 2277 N CB 2.449 40.889 38.487 -0.078 0.000 1.176 2277 N HN 0.817 nan 8.380 nan 0.000 0.487 2278 R N 1.854 121.856 120.500 -0.830 0.000 4.164 2278 R HA 0.004 4.344 4.340 0.001 0.000 0.195 2278 R C -0.209 175.925 176.300 -0.277 0.000 1.712 2278 R CA -0.290 55.392 56.100 -0.697 0.000 1.457 2278 R CB -0.500 29.113 30.300 -1.145 0.000 1.387 2278 R HN 0.482 nan 8.270 nan 0.000 0.785 2279 D N 1.737 121.994 120.400 -0.238 0.000 2.174 2279 D HA -0.112 4.528 4.640 0.001 0.000 0.245 2279 D C 0.008 176.199 176.300 -0.182 0.000 1.301 2279 D CA 0.100 53.983 54.000 -0.195 0.000 0.959 2279 D CB 0.650 41.331 40.800 -0.197 0.000 1.231 2279 D HN 0.474 nan 8.370 nan 0.000 0.535 2280 R N -0.076 120.308 120.500 -0.193 0.000 2.853 2280 R HA 0.393 4.734 4.340 0.001 0.000 0.238 2280 R C 1.043 177.099 176.300 -0.406 0.000 1.538 2280 R CA 0.203 56.192 56.100 -0.185 0.000 1.166 2280 R CB -0.658 29.563 30.300 -0.131 0.000 1.201 2280 R HN 0.488 nan 8.270 nan 0.000 0.606 2281 G N 1.875 110.217 108.800 -0.763 0.000 2.320 2281 G HA2 -0.362 3.599 3.960 0.001 0.000 0.242 2281 G HA3 -0.362 3.599 3.960 0.001 0.000 0.242 2281 G C 0.193 174.033 174.900 -1.766 0.000 1.033 2281 G CA 0.366 44.537 45.100 -1.549 0.000 0.620 2281 G HN 0.717 nan 8.290 nan 0.000 0.517 2282 R N -0.502 119.351 120.500 -1.077 0.000 2.856 2282 R HA 0.742 5.082 4.340 0.001 0.000 0.258 2282 R C -1.151 174.814 176.300 -0.558 0.000 1.066 2282 R CA -0.970 54.724 56.100 -0.677 0.000 1.045 2282 R CB 0.800 30.902 30.300 -0.330 0.000 1.178 2282 R HN 0.152 nan 8.270 nan 0.000 0.499 2283 F N 0.811 120.643 119.950 -0.198 0.000 2.308 2283 F HA 0.241 4.768 4.527 0.001 0.000 0.370 2283 F C 0.219 175.983 175.800 -0.059 0.000 1.100 2283 F CA -0.688 57.287 58.000 -0.042 0.000 1.108 2283 F CB 1.408 40.448 39.000 0.067 0.000 1.293 2283 F HN 0.567 nan 8.300 nan 0.000 0.478 2284 E N 2.428 122.668 120.200 0.068 0.000 2.283 2284 E HA 0.098 4.448 4.350 0.001 0.000 0.278 2284 E C -0.657 175.970 176.600 0.047 0.000 1.027 2284 E CA -0.506 55.912 56.400 0.029 0.000 0.843 2284 E CB 0.642 30.329 29.700 -0.022 0.000 1.062 2284 E HN 0.386 nan 8.360 nan 0.000 0.401 2285 D N 2.900 123.308 120.400 0.014 0.000 2.423 2285 D HA 0.034 4.674 4.640 0.001 0.000 0.238 2285 D C -0.511 175.748 176.300 -0.068 0.000 1.142 2285 D CA -0.245 53.737 54.000 -0.030 0.000 0.884 2285 D CB 0.489 41.236 40.800 -0.090 0.000 1.199 2285 D HN 0.294 nan 8.370 nan 0.000 0.438 2286 L N 3.142 124.319 121.223 -0.077 0.000 2.439 2286 L HA 0.131 4.471 4.340 0.001 0.000 0.269 2286 L C 0.850 177.579 176.870 -0.235 0.000 1.179 2286 L CA 0.289 55.081 54.840 -0.080 0.000 0.828 2286 L CB 0.479 42.526 42.059 -0.021 0.000 1.106 2286 L HN 0.315 nan 8.230 nan 0.000 0.467 2287 K N 2.529 122.827 120.400 -0.170 0.000 2.368 2287 K HA 0.214 4.534 4.320 0.001 0.000 0.282 2287 K C -1.343 175.078 176.600 -0.298 0.000 1.035 2287 K CA -0.249 55.899 56.287 -0.232 0.000 0.973 2287 K CB 0.673 33.108 32.500 -0.109 0.000 0.957 2287 K HN 0.357 nan 8.250 nan 0.000 0.474 2288 V N 5.906 125.606 119.914 -0.356 0.000 2.311 2288 V HA 0.141 4.262 4.120 0.001 0.000 0.275 2288 V C -0.237 175.888 176.094 0.051 0.000 1.022 2288 V CA -0.914 61.317 62.300 -0.115 0.000 0.830 2288 V CB 0.237 31.971 31.823 -0.149 0.000 1.012 2288 V HN 0.712 nan 8.190 nan 0.000 0.452 2289 H N 3.976 122.957 119.070 -0.147 0.000 2.771 2289 H HA 0.351 4.907 4.556 0.001 0.000 0.364 2289 H C 0.312 175.539 175.328 -0.168 0.000 1.133 2289 H CA -0.433 55.450 56.048 -0.274 0.000 1.423 2289 H CB -0.049 29.461 29.762 -0.419 0.000 1.425 2289 H HN 0.606 nan 8.280 nan 0.000 0.606 2290 F N -0.906 118.948 119.950 -0.160 0.000 3.048 2290 F HA -0.256 4.272 4.527 0.001 0.000 0.269 2290 F C -0.163 175.470 175.800 -0.278 0.000 0.960 2290 F CA -0.026 57.759 58.000 -0.359 0.000 0.909 2290 F CB -1.468 37.057 39.000 -0.792 0.000 0.837 2290 F HN 0.316 nan 8.300 nan 0.000 0.768 2291 L N 0.077 121.266 121.223 -0.057 0.000 2.399 2291 L HA 0.443 4.784 4.340 0.001 0.000 0.266 2291 L C 1.050 177.881 176.870 -0.066 0.000 1.114 2291 L CA -0.364 54.480 54.840 0.007 0.000 0.804 2291 L CB 1.445 43.553 42.059 0.081 0.000 1.146 2291 L HN 0.277 nan 8.230 nan 0.000 0.451 2292 T N -2.988 111.559 114.554 -0.012 0.000 2.918 2292 T HA 0.176 4.527 4.350 0.001 0.000 0.283 2292 T C 0.588 175.285 174.700 -0.005 0.000 1.001 2292 T CA -0.755 61.334 62.100 -0.017 0.000 1.041 2292 T CB 1.302 70.218 68.868 0.080 0.000 1.028 2292 T HN 0.568 nan 8.240 nan 0.000 0.511 2293 D N 1.711 122.107 120.400 -0.007 0.000 2.154 2293 D HA -0.103 4.537 4.640 0.001 0.000 0.190 2293 D C -0.994 175.314 176.300 0.014 0.000 1.003 2293 D CA 1.593 55.586 54.000 -0.011 0.000 0.849 2293 D CB -1.876 38.926 40.800 0.003 0.000 0.942 2293 D HN 0.453 nan 8.370 nan 0.000 0.446 2294 P HA -0.146 nan 4.420 nan 0.000 0.213 2294 P C 1.124 178.456 177.300 0.055 0.000 1.170 2294 P CA 1.402 64.528 63.100 0.043 0.000 0.898 2294 P CB -0.043 31.688 31.700 0.051 0.000 0.787 2295 E N -0.842 119.400 120.200 0.071 0.000 2.118 2295 E HA -0.223 4.128 4.350 0.001 0.000 0.195 2295 E C 2.020 178.682 176.600 0.104 0.000 0.992 2295 E CA 0.795 57.252 56.400 0.094 0.000 0.804 2295 E CB -0.786 28.984 29.700 0.116 0.000 0.741 2295 E HN 0.218 nan 8.360 nan 0.000 0.458 2296 N N 0.812 119.565 118.700 0.088 0.000 2.272 2296 N HA -0.181 4.560 4.740 0.001 0.000 0.185 2296 N C 1.550 177.133 175.510 0.122 0.000 1.014 2296 N CA 0.943 54.067 53.050 0.123 0.000 0.870 2296 N CB 0.134 38.615 38.487 -0.010 0.000 0.975 2296 N HN 0.201 nan 8.380 nan 0.000 0.433 2297 E N 0.368 120.611 120.200 0.072 0.000 2.072 2297 E HA -0.122 4.229 4.350 0.001 0.000 0.190 2297 E C 1.529 178.167 176.600 0.065 0.000 0.982 2297 E CA 0.840 57.275 56.400 0.059 0.000 0.803 2297 E CB -0.264 29.459 29.700 0.037 0.000 0.755 2297 E HN 0.633 nan 8.360 nan 0.000 0.453 2298 M N 0.377 120.018 119.600 0.068 0.000 2.637 2298 M HA 0.267 4.747 4.480 0.001 0.000 0.286 2298 M C 1.310 177.655 176.300 0.075 0.000 1.246 2298 M CA -0.064 55.274 55.300 0.063 0.000 0.978 2298 M CB 0.260 32.894 32.600 0.057 0.000 1.417 2298 M HN -0.191 nan 8.290 nan 0.000 0.487 2299 K N 0.846 121.301 120.400 0.091 0.000 2.044 2299 K HA -0.222 4.098 4.320 0.001 0.000 0.210 2299 K C 1.704 178.326 176.600 0.037 0.000 1.049 2299 K CA 2.179 58.515 56.287 0.082 0.000 0.927 2299 K CB -0.571 31.984 32.500 0.092 0.000 0.713 2299 K HN 0.645 nan 8.250 nan 0.000 0.443 2300 E N 0.961 121.172 120.200 0.020 0.000 2.204 2300 E HA -0.187 4.164 4.350 0.001 0.000 0.195 2300 E C 1.372 177.983 176.600 0.019 0.000 0.990 2300 E CA 1.125 57.527 56.400 0.004 0.000 0.821 2300 E CB 0.207 29.907 29.700 -0.001 0.000 0.750 2300 E HN 0.276 nan 8.360 nan 0.000 0.477 2301 K N 0.256 120.677 120.400 0.035 0.000 2.044 2301 K HA -0.022 4.299 4.320 0.001 0.000 0.204 2301 K C 2.015 178.649 176.600 0.058 0.000 1.049 2301 K CA 0.713 57.022 56.287 0.036 0.000 0.945 2301 K CB -0.354 32.169 32.500 0.037 0.000 0.724 2301 K HN 0.107 nan 8.250 nan 0.000 0.440 2302 L N 0.484 121.768 121.223 0.101 0.000 2.079 2302 L HA -0.183 4.157 4.340 0.001 0.000 0.210 2302 L C 2.154 179.149 176.870 0.209 0.000 1.081 2302 L CA 1.096 56.052 54.840 0.193 0.000 0.752 2302 L CB -0.354 41.849 42.059 0.239 0.000 0.896 2302 L HN 0.168 nan 8.230 nan 0.000 0.433 2303 L N -0.551 120.742 121.223 0.117 0.000 2.046 2303 L HA -0.234 4.107 4.340 0.001 0.000 0.208 2303 L C 2.462 179.363 176.870 0.051 0.000 1.077 2303 L CA 1.394 56.283 54.840 0.082 0.000 0.747 2303 L CB -0.326 41.746 42.059 0.022 0.000 0.896 2303 L HN 0.201 nan 8.230 nan 0.000 0.432 2304 K N -0.591 119.824 120.400 0.025 0.000 2.365 2304 K HA -0.172 4.148 4.320 0.001 0.000 0.199 2304 K C 1.939 178.524 176.600 -0.025 0.000 1.045 2304 K CA 0.775 57.057 56.287 -0.009 0.000 0.962 2304 K CB 0.099 32.592 32.500 -0.012 0.000 0.759 2304 K HN 0.302 nan 8.250 nan 0.000 0.469 2305 E N -0.408 119.785 120.200 -0.011 0.000 2.075 2305 E HA -0.081 4.269 4.350 0.001 0.000 0.190 2305 E C 1.129 177.638 176.600 -0.152 0.000 0.969 2305 E CA 0.681 57.025 56.400 -0.093 0.000 0.815 2305 E CB 0.136 29.763 29.700 -0.123 0.000 0.776 2305 E HN 0.327 nan 8.360 nan 0.000 0.457 2306 Y N 0.365 120.659 120.300 -0.010 0.000 2.517 2306 Y HA 0.189 4.740 4.550 0.001 0.000 0.281 2306 Y C 0.695 176.558 175.900 -0.061 0.000 1.125 2306 Y CA 0.224 58.316 58.100 -0.014 0.000 1.283 2306 Y CB 0.595 39.067 38.460 0.020 0.000 1.042 2306 Y HN -0.036 nan 8.280 nan 0.000 0.547 2307 L N -0.706 120.544 121.223 0.045 0.000 2.303 2307 L HA 0.445 4.786 4.340 0.001 0.000 0.256 2307 L C -0.446 176.347 176.870 -0.129 0.000 1.034 2307 L CA -1.108 53.692 54.840 -0.066 0.000 0.832 2307 L CB 1.826 43.860 42.059 -0.041 0.000 1.403 2307 L HN -0.177 nan 8.230 nan 0.000 0.419 2308 M N 2.340 121.806 119.600 -0.222 0.000 2.852 2308 M HA 0.259 4.740 4.480 0.001 0.000 0.321 2308 M C -0.783 175.434 176.300 -0.139 0.000 1.337 2308 M CA -0.502 54.671 55.300 -0.212 0.000 1.406 2308 M CB 0.584 32.979 32.600 -0.341 0.000 1.152 2308 M HN 0.240 nan 8.290 nan 0.000 0.508 2309 V N 4.428 124.289 119.914 -0.089 0.000 2.715 2309 V HA 0.372 4.492 4.120 0.001 0.000 0.299 2309 V C 0.267 176.329 176.094 -0.054 0.000 1.054 2309 V CA -0.270 61.994 62.300 -0.060 0.000 1.077 2309 V CB 0.579 32.378 31.823 -0.040 0.000 0.972 2309 V HN 0.737 nan 8.190 nan 0.000 0.484 2310 I N 0.537 121.080 120.570 -0.045 0.000 2.994 2310 I HA 0.785 4.955 4.170 0.001 0.000 0.306 2310 I C -0.856 175.242 176.117 -0.032 0.000 1.195 2310 I CA -1.092 60.185 61.300 -0.038 0.000 1.001 2310 I CB 2.641 40.617 38.000 -0.039 0.000 1.244 2310 I HN 0.408 nan 8.210 nan 0.000 0.437 2311 E N 2.744 122.928 120.200 -0.028 0.000 2.175 2311 E HA 0.652 5.002 4.350 0.001 0.000 0.278 2311 E C -1.441 175.142 176.600 -0.027 0.000 0.969 2311 E CA -0.473 55.911 56.400 -0.027 0.000 0.796 2311 E CB 2.051 31.736 29.700 -0.024 0.000 1.104 2311 E HN 0.445 nan 8.360 nan 0.000 0.395 2312 I N 5.272 125.824 120.570 -0.030 0.000 2.466 2312 I HA 0.277 4.448 4.170 0.001 0.000 0.289 2312 I C -2.435 173.667 176.117 -0.025 0.000 1.026 2312 I CA -2.625 58.657 61.300 -0.029 0.000 1.078 2312 I CB 1.922 39.901 38.000 -0.036 0.000 1.249 2312 I HN 0.331 nan 8.210 nan 0.000 0.429 2313 P HA 0.199 nan 4.420 nan 0.000 0.273 2313 P C -0.685 176.614 177.300 -0.003 0.000 1.319 2313 P CA -0.028 63.065 63.100 -0.013 0.000 0.885 2313 P CB 0.310 32.003 31.700 -0.012 0.000 1.015 2314 V N 4.192 124.116 119.914 0.017 0.000 2.837 2314 V HA 0.203 4.323 4.120 0.001 0.000 0.310 2314 V C 0.701 176.847 176.094 0.087 0.000 1.059 2314 V CA -0.848 61.496 62.300 0.072 0.000 1.004 2314 V CB 1.118 33.047 31.823 0.178 0.000 1.045 2314 V HN 0.419 nan 8.190 nan 0.000 0.465 2315 Q N 1.637 121.485 119.800 0.079 0.000 2.315 2315 Q HA 0.273 4.613 4.340 0.001 0.000 0.289 2315 Q C 0.897 176.951 176.000 0.089 0.000 1.044 2315 Q CA 0.418 56.237 55.803 0.028 0.000 0.920 2315 Q CB 0.243 28.966 28.738 -0.024 0.000 1.214 2315 Q HN 0.950 nan 8.270 nan 0.000 0.392 2316 G N 1.302 110.101 108.800 -0.001 0.000 2.522 2316 G HA2 -0.082 3.878 3.960 0.001 0.000 0.223 2316 G HA3 -0.082 3.878 3.960 0.001 0.000 0.223 2316 G C -0.887 174.046 174.900 0.055 0.000 1.565 2316 G CA -0.642 44.520 45.100 0.103 0.000 1.053 2316 G HN 0.775 nan 8.290 nan 0.000 0.547 2317 W N 1.703 122.827 121.300 -0.293 0.000 1.818 2317 W HA 0.268 4.928 4.660 0.001 0.000 0.334 2317 W C -0.372 175.687 176.519 -0.767 0.000 0.753 2317 W CA -0.276 56.822 57.345 -0.412 0.000 1.826 2317 W CB -0.481 28.936 29.460 -0.072 0.000 2.001 2317 W HN 0.523 nan 8.180 nan 0.000 0.324 2318 D N 2.403 122.474 120.400 -0.548 0.000 2.737 2318 D HA -0.259 4.381 4.640 0.001 0.000 0.238 2318 D C -0.258 175.931 176.300 -0.186 0.000 1.157 2318 D CA 1.503 55.321 54.000 -0.304 0.000 0.694 2318 D CB -1.426 39.270 40.800 -0.173 0.000 1.021 2318 D HN 0.678 nan 8.370 nan 0.000 0.420 2319 H N -3.165 115.937 119.070 0.053 0.000 3.410 2319 H HA 0.428 4.985 4.556 0.001 0.000 0.245 2319 H C 1.091 176.441 175.328 0.037 0.000 1.269 2319 H CA -0.454 55.627 56.048 0.055 0.000 1.402 2319 H CB -0.160 29.656 29.762 0.090 0.000 2.429 2319 H HN 0.111 nan 8.280 nan 0.000 0.604 2320 G N 0.778 109.675 108.800 0.163 0.000 2.271 2320 G HA2 -0.377 3.583 3.960 0.001 0.000 0.277 2320 G HA3 -0.377 3.583 3.960 0.001 0.000 0.277 2320 G C 0.456 175.427 174.900 0.118 0.000 1.004 2320 G CA 1.371 46.536 45.100 0.109 0.000 0.679 2320 G HN 0.792 nan 8.290 nan 0.000 0.540 2321 T N 0.281 114.986 114.554 0.252 0.000 2.922 2321 T HA 0.603 4.953 4.350 0.001 0.000 0.285 2321 T C 0.418 175.074 174.700 -0.075 0.000 1.005 2321 T CA 0.550 62.721 62.100 0.118 0.000 1.061 2321 T CB 1.754 70.754 68.868 0.219 0.000 1.007 2321 T HN 0.883 nan 8.240 nan 0.000 0.502 2322 T N 0.562 114.985 114.554 -0.218 0.000 2.921 2322 T HA 0.490 4.840 4.350 0.001 0.000 0.297 2322 T C -1.258 173.247 174.700 -0.325 0.000 1.013 2322 T CA -0.941 61.016 62.100 -0.240 0.000 0.990 2322 T CB 0.991 69.813 68.868 -0.078 0.000 1.023 2322 T HN 0.555 nan 8.240 nan 0.000 0.447 2323 H N 2.373 121.496 119.070 0.089 0.000 2.573 2323 H HA 0.605 5.162 4.556 0.001 0.000 0.351 2323 H C -0.796 174.467 175.328 -0.107 0.000 1.163 2323 H CA -1.048 54.988 56.048 -0.019 0.000 1.205 2323 H CB 1.881 31.599 29.762 -0.072 0.000 1.605 2323 H HN 0.497 nan 8.280 nan 0.000 0.525 2324 L N 3.509 124.738 121.223 0.011 0.000 2.265 2324 L HA 0.346 4.686 4.340 0.001 0.000 0.289 2324 L C -0.080 176.728 176.870 -0.104 0.000 1.033 2324 L CA -0.301 54.515 54.840 -0.041 0.000 0.814 2324 L CB -0.083 41.967 42.059 -0.015 0.000 1.203 2324 L HN 0.562 nan 8.230 nan 0.000 0.423 2325 I N 1.149 121.653 120.570 -0.109 0.000 2.957 2325 I HA 0.539 4.709 4.170 0.001 0.000 0.310 2325 I C -0.611 175.482 176.117 -0.040 0.000 1.063 2325 I CA -0.842 60.394 61.300 -0.107 0.000 1.033 2325 I CB 2.063 39.990 38.000 -0.123 0.000 1.230 2325 I HN 0.505 nan 8.210 nan 0.000 0.447 2326 N N 2.459 121.148 118.700 -0.019 0.000 2.472 2326 N HA 0.633 5.373 4.740 0.001 0.000 0.277 2326 N C -0.982 174.531 175.510 0.005 0.000 1.081 2326 N CA -0.472 52.572 53.050 -0.010 0.000 0.973 2326 N CB 1.536 40.016 38.487 -0.012 0.000 1.105 2326 N HN 0.791 nan 8.380 nan 0.000 0.470 2327 A N 1.352 124.164 122.820 -0.013 0.000 2.486 2327 A HA 0.721 5.042 4.320 0.001 0.000 0.300 2327 A C -1.086 176.478 177.584 -0.032 0.000 1.048 2327 A CA -0.652 51.375 52.037 -0.018 0.000 0.696 2327 A CB 1.421 20.400 19.000 -0.035 0.000 1.278 2327 A HN 0.636 nan 8.150 nan 0.000 0.405 2328 A N 2.092 124.893 122.820 -0.031 0.000 2.301 2328 A HA 0.602 4.923 4.320 0.001 0.000 0.298 2328 A C 0.284 177.834 177.584 -0.056 0.000 1.185 2328 A CA -0.529 51.475 52.037 -0.054 0.000 0.830 2328 A CB 0.382 19.355 19.000 -0.045 0.000 1.112 2328 A HN 0.665 nan 8.150 nan 0.000 0.508 2329 K N 2.445 122.791 120.400 -0.091 0.000 2.401 2329 K HA 0.238 4.558 4.320 0.001 0.000 0.278 2329 K C -0.823 175.789 176.600 0.019 0.000 1.018 2329 K CA 0.238 56.494 56.287 -0.052 0.000 0.981 2329 K CB 0.134 32.582 32.500 -0.087 0.000 0.933 2329 K HN 0.672 nan 8.250 nan 0.000 0.477 2330 L N 3.277 124.562 121.223 0.104 0.000 2.289 2330 L HA 0.153 4.493 4.340 0.001 0.000 0.285 2330 L C 0.608 177.632 176.870 0.257 0.000 1.049 2330 L CA -0.824 54.125 54.840 0.181 0.000 0.804 2330 L CB 1.112 43.237 42.059 0.110 0.000 1.195 2330 L HN 0.626 nan 8.230 nan 0.000 0.428 2331 D N 2.155 122.726 120.400 0.285 0.000 2.361 2331 D HA 0.068 4.709 4.640 0.001 0.000 0.239 2331 D C -0.253 176.017 176.300 -0.051 0.000 1.200 2331 D CA -0.056 53.893 54.000 -0.085 0.000 0.915 2331 D CB 0.807 41.408 40.800 -0.332 0.000 1.170 2331 D HN 0.593 nan 8.370 nan 0.000 0.444 2332 E N 0.195 120.331 120.200 -0.106 0.000 2.212 2332 E HA 0.617 4.968 4.350 0.001 0.000 0.270 2332 E C -0.883 175.683 176.600 -0.056 0.000 0.956 2332 E CA -1.377 54.987 56.400 -0.060 0.000 0.825 2332 E CB 1.224 30.898 29.700 -0.043 0.000 1.167 2332 E HN 0.385 nan 8.360 nan 0.000 0.400 2333 A N 2.536 125.324 122.820 -0.053 0.000 2.583 2333 A HA -0.102 4.219 4.320 0.001 0.000 0.249 2333 A C 0.363 177.948 177.584 0.002 0.000 1.035 2333 A CA 0.870 52.884 52.037 -0.039 0.000 0.777 2333 A CB -0.968 18.002 19.000 -0.050 0.000 0.942 2333 A HN 0.871 nan 8.150 nan 0.000 0.516 2334 N N 1.945 120.676 118.700 0.052 0.000 2.240 2334 N HA 0.225 4.965 4.740 0.001 0.000 0.240 2334 N C -0.820 174.802 175.510 0.187 0.000 1.277 2334 N CA -0.560 52.555 53.050 0.108 0.000 0.873 2334 N CB 0.129 38.686 38.487 0.117 0.000 1.222 2334 N HN 0.503 nan 8.380 nan 0.000 0.507 2335 L N 1.722 122.992 121.223 0.079 0.000 2.360 2335 L HA 0.408 4.749 4.340 0.001 0.000 0.276 2335 L C -2.101 174.745 176.870 -0.041 0.000 1.121 2335 L CA -1.734 53.059 54.840 -0.077 0.000 0.845 2335 L CB 0.323 42.290 42.059 -0.153 0.000 1.143 2335 L HN -0.067 nan 8.230 nan 0.000 0.452 2336 P HA -0.010 nan 4.420 nan 0.000 0.267 2336 P C 0.243 177.527 177.300 -0.027 0.000 1.200 2336 P CA -0.321 62.779 63.100 0.001 0.000 0.772 2336 P CB 0.715 32.428 31.700 0.023 0.000 0.855 2337 K N 4.248 124.647 120.400 -0.002 0.000 2.059 2337 K HA -0.255 4.066 4.320 0.001 0.000 0.212 2337 K C 1.616 178.210 176.600 -0.009 0.000 1.050 2337 K CA 2.103 58.391 56.287 0.001 0.000 0.927 2337 K CB -0.710 31.797 32.500 0.012 0.000 0.714 2337 K HN 0.545 nan 8.250 nan 0.000 0.447 2338 E N 1.234 121.425 120.200 -0.014 0.000 2.396 2338 E HA -0.191 4.160 4.350 0.001 0.000 0.200 2338 E C 1.230 177.808 176.600 -0.037 0.000 1.023 2338 E CA 1.624 58.012 56.400 -0.019 0.000 0.857 2338 E CB -0.339 29.351 29.700 -0.016 0.000 0.775 2338 E HN 0.760 nan 8.360 nan 0.000 0.525 2339 I N -2.553 117.979 120.570 -0.064 0.000 3.994 2339 I HA 0.353 4.523 4.170 0.001 0.000 0.323 2339 I C -0.101 175.967 176.117 -0.082 0.000 1.501 2339 I CA -0.681 60.561 61.300 -0.096 0.000 1.112 2339 I CB -0.183 37.705 38.000 -0.187 0.000 1.254 2339 I HN -0.178 nan 8.210 nan 0.000 0.495 2340 N N 2.053 120.730 118.700 -0.039 0.000 2.527 2340 N HA 0.408 5.149 4.740 0.001 0.000 0.236 2340 N C 0.628 176.163 175.510 0.042 0.000 0.999 2340 N CA -0.426 52.620 53.050 -0.008 0.000 0.935 2340 N CB 1.034 39.520 38.487 -0.003 0.000 1.132 2340 N HN 0.349 nan 8.380 nan 0.000 0.511 2341 L N 2.930 124.195 121.223 0.070 0.000 2.341 2341 L HA -0.001 4.339 4.340 0.001 0.000 0.214 2341 L C 1.917 178.893 176.870 0.178 0.000 1.115 2341 L CA 0.313 55.228 54.840 0.124 0.000 0.820 2341 L CB 0.027 42.178 42.059 0.154 0.000 0.944 2341 L HN 0.435 nan 8.230 nan 0.000 0.452 2342 V N -0.101 119.904 119.914 0.152 0.000 2.427 2342 V HA -0.281 3.840 4.120 0.001 0.000 0.248 2342 V C 2.320 178.540 176.094 0.210 0.000 1.051 2342 V CA 1.981 64.410 62.300 0.215 0.000 1.048 2342 V CB -0.441 31.470 31.823 0.148 0.000 0.666 2342 V HN 0.531 nan 8.190 nan 0.000 0.456 2343 D N 0.220 120.705 120.400 0.141 0.000 2.097 2343 D HA -0.206 4.434 4.640 0.001 0.000 0.195 2343 D C 1.705 178.117 176.300 0.187 0.000 0.989 2343 D CA 1.566 55.664 54.000 0.164 0.000 0.827 2343 D CB 0.001 40.867 40.800 0.109 0.000 0.966 2343 D HN 0.402 nan 8.370 nan 0.000 0.456 2344 D N -0.406 120.079 120.400 0.141 0.000 2.097 2344 D HA -0.184 4.456 4.640 0.001 0.000 0.195 2344 D C 1.916 178.288 176.300 0.119 0.000 0.989 2344 D CA 0.740 54.800 54.000 0.099 0.000 0.827 2344 D CB -0.786 40.058 40.800 0.074 0.000 0.966 2344 D HN 0.429 nan 8.370 nan 0.000 0.456 2345 Y N -0.078 120.270 120.300 0.080 0.000 2.224 2345 Y HA -0.260 4.291 4.550 0.001 0.000 0.289 2345 Y C 2.223 178.131 175.900 0.012 0.000 1.146 2345 Y CA 0.806 58.960 58.100 0.089 0.000 1.182 2345 Y CB -0.096 38.478 38.460 0.189 0.000 0.983 2345 Y HN -0.150 nan 8.280 nan 0.000 0.524 2346 F N 1.507 121.419 119.950 -0.063 0.000 2.102 2346 F HA -0.214 4.313 4.527 0.001 0.000 0.298 2346 F C 2.171 177.878 175.800 -0.155 0.000 1.105 2346 F CA 1.849 59.576 58.000 -0.455 0.000 1.239 2346 F CB -0.531 38.175 39.000 -0.490 0.000 0.991 2346 F HN 0.072 nan 8.300 nan 0.000 0.474 2347 E N 0.194 120.327 120.200 -0.111 0.000 2.110 2347 E HA -0.203 4.147 4.350 0.001 0.000 0.193 2347 E C 2.294 178.824 176.600 -0.118 0.000 0.988 2347 E CA 1.120 57.414 56.400 -0.178 0.000 0.804 2347 E CB -0.680 28.972 29.700 -0.080 0.000 0.745 2347 E HN 0.358 nan 8.360 nan 0.000 0.458 2348 L N 0.653 121.836 121.223 -0.068 0.000 1.994 2348 L HA -0.180 4.161 4.340 0.001 0.000 0.208 2348 L C 2.708 179.589 176.870 0.017 0.000 1.071 2348 L CA 1.491 56.299 54.840 -0.053 0.000 0.745 2348 L CB -1.184 40.760 42.059 -0.191 0.000 0.892 2348 L HN 0.077 nan 8.230 nan 0.000 0.431 2349 V N -3.546 116.415 119.914 0.078 0.000 2.515 2349 V HA -0.274 3.847 4.120 0.001 0.000 0.250 2349 V C 2.188 178.253 176.094 -0.049 0.000 1.058 2349 V CA 1.360 63.785 62.300 0.207 0.000 1.064 2349 V CB -1.015 31.078 31.823 0.450 0.000 0.675 2349 V HN 0.521 nan 8.190 nan 0.000 0.461 2350 Q N -0.289 119.386 119.800 -0.208 0.000 2.084 2350 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 2350 Q C 2.331 178.260 176.000 -0.119 0.000 0.978 2350 Q CA 2.239 57.860 55.803 -0.303 0.000 0.844 2350 Q CB -0.282 28.225 28.738 -0.384 0.000 0.898 2350 Q HN 0.854 nan 8.270 nan 0.000 0.426 2351 H N 0.595 119.576 119.070 -0.148 0.000 2.343 2351 H HA -0.022 4.534 4.556 0.001 0.000 0.303 2351 H C 1.625 176.915 175.328 -0.062 0.000 1.068 2351 H CA 1.159 57.151 56.048 -0.094 0.000 1.359 2351 H CB 0.321 30.037 29.762 -0.077 0.000 1.402 2351 H HN 0.073 nan 8.280 nan 0.000 0.515 2352 E N -0.350 119.818 120.200 -0.053 0.000 2.401 2352 E HA -0.175 4.175 4.350 0.001 0.000 0.199 2352 E C 1.548 178.084 176.600 -0.107 0.000 1.023 2352 E CA 0.476 56.844 56.400 -0.053 0.000 0.859 2352 E CB -0.334 29.419 29.700 0.088 0.000 0.780 2352 E HN 0.590 nan 8.360 nan 0.000 0.523 2353 Y N 1.761 121.793 120.300 -0.447 0.000 2.206 2353 Y HA -0.077 4.473 4.550 0.001 0.000 0.292 2353 Y C 1.949 177.618 175.900 -0.384 0.000 1.123 2353 Y CA 1.422 59.063 58.100 -0.764 0.000 1.142 2353 Y CB 0.117 37.907 38.460 -1.116 0.000 1.006 2353 Y HN -0.121 nan 8.280 nan 0.000 0.518 2354 K N 0.211 120.467 120.400 -0.239 0.000 2.103 2354 K HA -0.220 4.101 4.320 0.001 0.000 0.207 2354 K C 1.981 178.430 176.600 -0.253 0.000 1.048 2354 K CA 1.763 57.913 56.287 -0.228 0.000 0.930 2354 K CB -0.186 32.228 32.500 -0.144 0.000 0.716 2354 K HN 0.168 nan 8.250 nan 0.000 0.444 2355 K N -0.053 120.189 120.400 -0.264 0.000 2.525 2355 K HA -0.106 4.214 4.320 0.001 0.000 0.192 2355 K C 1.297 177.842 176.600 -0.092 0.000 1.029 2355 K CA 0.343 56.511 56.287 -0.197 0.000 1.029 2355 K CB 0.136 32.501 32.500 -0.225 0.000 0.814 2355 K HN 0.358 nan 8.250 nan 0.000 0.503 2356 W N 1.188 122.259 121.300 -0.381 0.000 2.762 2356 W HA -0.017 4.643 4.660 0.001 0.000 0.265 2356 W C 1.106 177.390 176.519 -0.392 0.000 1.263 2356 W CA 0.350 57.477 57.345 -0.363 0.000 1.411 2356 W CB 0.376 29.544 29.460 -0.487 0.000 1.065 2356 W HN 0.135 nan 8.180 nan 0.000 0.609 2357 Q N 0.582 120.172 119.800 -0.350 0.000 2.062 2357 Q HA -0.143 4.197 4.340 0.001 0.000 0.196 2357 Q C 1.820 177.665 176.000 -0.258 0.000 0.967 2357 Q CA 1.527 57.122 55.803 -0.346 0.000 0.832 2357 Q CB -0.407 28.121 28.738 -0.350 0.000 0.899 2357 Q HN 0.297 nan 8.270 nan 0.000 0.442 2358 E N 0.804 120.872 120.200 -0.220 0.000 2.204 2358 E HA -0.132 4.218 4.350 0.001 0.000 0.194 2358 E C 1.470 177.959 176.600 -0.185 0.000 0.989 2358 E CA 0.862 57.159 56.400 -0.171 0.000 0.824 2358 E CB -0.020 29.595 29.700 -0.141 0.000 0.756 2358 E HN 0.298 nan 8.360 nan 0.000 0.477 2359 N N 0.568 119.127 118.700 -0.235 0.000 2.207 2359 N HA -0.094 4.646 4.740 0.001 0.000 0.182 2359 N C 1.473 176.794 175.510 -0.315 0.000 1.020 2359 N CA 1.177 54.070 53.050 -0.261 0.000 0.858 2359 N CB -0.002 38.308 38.487 -0.295 0.000 0.991 2359 N HN 0.034 nan 8.380 nan 0.000 0.427 2360 S N 0.012 115.467 115.700 -0.407 0.000 2.894 2360 S HA -0.003 4.468 4.470 0.001 0.000 0.231 2360 S C 1.044 175.507 174.600 -0.229 0.000 0.971 2360 S CA 0.320 58.295 58.200 -0.374 0.000 1.005 2360 S CB -0.365 62.583 63.200 -0.421 0.000 0.799 2360 S HN 0.275 nan 8.310 nan 0.000 0.527 2361 E N 0.470 120.554 120.200 -0.192 0.000 2.476 2361 E HA 0.118 4.469 4.350 0.001 0.000 0.191 2361 E C 0.602 177.132 176.600 -0.116 0.000 1.064 2361 E CA -0.063 56.256 56.400 -0.135 0.000 0.866 2361 E CB 0.260 29.889 29.700 -0.118 0.000 0.952 2361 E HN 0.711 nan 8.360 nan 0.000 0.492 2362 Q N 0.000 119.720 119.800 -0.133 0.000 2.315 2362 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 2362 Q CA 0.000 55.738 55.803 -0.108 0.000 1.022 2362 Q CB 0.000 28.668 28.738 -0.116 0.000 1.108 2362 Q HN 0.000 nan 8.270 nan 0.000 0.481