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 1fx6_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVXXXXX XXXXXXXXRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.685 176.600 0.142 0.000 0.988 2003 K CA 0.000 56.362 56.287 0.126 0.000 0.838 2003 K CB 0.000 32.570 32.500 0.116 0.000 1.064 2004 F N 1.511 121.468 119.950 0.012 0.000 2.529 2004 F HA 0.277 4.805 4.527 0.001 0.000 0.365 2004 F C -0.285 175.463 175.800 -0.087 0.000 1.102 2004 F CA -0.418 57.569 58.000 -0.022 0.000 1.271 2004 F CB 0.609 39.590 39.000 -0.032 0.000 1.120 2004 F HN 0.404 nan 8.300 nan 0.000 0.579 2005 L N 6.301 127.070 121.223 -0.756 0.000 2.307 2005 L HA 0.542 4.882 4.340 0.001 0.000 0.282 2005 L C -1.090 175.336 176.870 -0.741 0.000 1.051 2005 L CA -0.429 54.051 54.840 -0.600 0.000 0.804 2005 L CB 1.634 43.418 42.059 -0.459 0.000 1.197 2005 L HN 0.388 nan 8.230 nan 0.000 0.431 2006 V N 6.500 126.076 119.914 -0.563 0.000 2.385 2006 V HA 0.377 4.497 4.120 0.001 0.000 0.277 2006 V C -0.157 175.726 176.094 -0.352 0.000 1.012 2006 V CA -0.429 61.572 62.300 -0.497 0.000 0.832 2006 V CB 1.177 32.571 31.823 -0.716 0.000 1.028 2006 V HN 0.525 nan 8.190 nan 0.000 0.436 2007 I N 4.344 124.735 120.570 -0.298 0.000 2.312 2007 I HA 0.756 4.926 4.170 0.001 0.000 0.291 2007 I C 0.502 176.364 176.117 -0.424 0.000 1.031 2007 I CA 0.094 61.212 61.300 -0.305 0.000 1.293 2007 I CB 1.252 39.076 38.000 -0.293 0.000 1.403 2007 I HN 0.648 nan 8.210 nan 0.000 0.484 2008 A N 4.705 127.317 122.820 -0.348 0.000 2.566 2008 A HA 1.027 5.348 4.320 0.001 0.000 0.292 2008 A C -0.305 176.980 177.584 -0.498 0.000 1.112 2008 A CA -0.284 51.523 52.037 -0.383 0.000 0.707 2008 A CB 2.029 20.927 19.000 -0.170 0.000 1.302 2008 A HN 0.912 nan 8.150 nan 0.000 0.409 2009 G N -0.561 107.954 108.800 -0.475 0.000 2.352 2009 G HA2 0.470 4.431 3.960 0.001 0.000 0.302 2009 G HA3 0.470 4.431 3.960 0.001 0.000 0.302 2009 G C -3.579 171.127 174.900 -0.323 0.000 1.370 2009 G CA -0.233 44.500 45.100 -0.612 0.000 0.918 2009 G HN 0.723 nan 8.290 nan 0.000 0.610 2010 P HA 0.259 nan 4.420 nan 0.000 0.275 2010 P C 1.328 178.641 177.300 0.022 0.000 1.228 2010 P CA -0.024 63.078 63.100 0.003 0.000 0.786 2010 P CB 1.703 33.462 31.700 0.099 0.000 0.927 2011 C N 3.137 122.488 119.300 0.085 0.000 2.359 2011 C HA -0.040 4.420 4.460 0.001 0.000 0.277 2011 C C 1.378 176.451 174.990 0.140 0.000 1.192 2011 C CA 1.852 60.939 59.018 0.115 0.000 1.759 2011 C CB -1.362 26.454 27.740 0.127 0.000 2.038 2011 C HN 0.706 nan 8.230 nan 0.000 0.448 2012 A N -0.658 122.284 122.820 0.202 0.000 2.330 2012 A HA 0.702 5.023 4.320 0.001 0.000 0.329 2012 A C -0.334 177.439 177.584 0.315 0.000 1.135 2012 A CA -0.595 51.612 52.037 0.283 0.000 0.817 2012 A CB 0.405 19.689 19.000 0.474 0.000 1.269 2012 A HN 0.488 nan 8.150 nan 0.000 0.469 2013 I N 2.029 122.815 120.570 0.361 0.000 2.270 2013 I HA 0.025 4.196 4.170 0.001 0.000 0.300 2013 I C 0.848 177.235 176.117 0.449 0.000 1.186 2013 I CA 0.304 61.829 61.300 0.375 0.000 1.431 2013 I CB -0.211 38.030 38.000 0.402 0.000 1.485 2013 I HN 0.860 nan 8.210 nan 0.000 0.650 2014 E N 2.723 123.129 120.200 0.344 0.000 2.265 2014 E HA -0.106 4.244 4.350 0.001 0.000 0.196 2014 E C 0.327 177.031 176.600 0.173 0.000 0.996 2014 E CA 0.688 57.254 56.400 0.277 0.000 0.832 2014 E CB 0.171 29.934 29.700 0.105 0.000 0.756 2014 E HN 0.736 nan 8.360 nan 0.000 0.491 2015 S N -1.332 114.465 115.700 0.160 0.000 2.678 2015 S HA 0.004 4.475 4.470 0.001 0.000 0.290 2015 S C 0.205 174.908 174.600 0.172 0.000 1.047 2015 S CA -0.648 57.629 58.200 0.129 0.000 0.851 2015 S CB 0.836 64.075 63.200 0.065 0.000 1.058 2015 S HN 0.216 nan 8.310 nan 0.000 0.451 2016 E N 0.913 121.200 120.200 0.145 0.000 2.338 2016 E HA -0.147 4.204 4.350 0.001 0.000 0.197 2016 E C 1.305 177.923 176.600 0.030 0.000 1.007 2016 E CA 1.218 57.627 56.400 0.015 0.000 0.849 2016 E CB -0.115 29.497 29.700 -0.147 0.000 0.774 2016 E HN 0.758 nan 8.360 nan 0.000 0.506 2017 E N 0.588 120.818 120.200 0.050 0.000 2.028 2017 E HA -0.206 4.145 4.350 0.001 0.000 0.191 2017 E C 2.070 178.695 176.600 0.042 0.000 0.988 2017 E CA 1.082 57.505 56.400 0.037 0.000 0.799 2017 E CB -0.091 29.632 29.700 0.037 0.000 0.755 2017 E HN 0.366 nan 8.360 nan 0.000 0.447 2018 L N 1.097 122.351 121.223 0.052 0.000 2.042 2018 L HA -0.188 4.153 4.340 0.001 0.000 0.210 2018 L C 2.132 179.048 176.870 0.076 0.000 1.076 2018 L CA 1.610 56.470 54.840 0.034 0.000 0.749 2018 L CB -0.376 41.708 42.059 0.042 0.000 0.893 2018 L HN 0.237 nan 8.230 nan 0.000 0.432 2019 L N -1.317 119.985 121.223 0.132 0.000 2.131 2019 L HA -0.224 4.117 4.340 0.001 0.000 0.210 2019 L C 2.507 179.416 176.870 0.066 0.000 1.092 2019 L CA 1.142 56.106 54.840 0.208 0.000 0.759 2019 L CB -0.633 41.532 42.059 0.177 0.000 0.903 2019 L HN 0.350 nan 8.230 nan 0.000 0.435 2020 L N -0.259 121.001 121.223 0.062 0.000 2.109 2020 L HA -0.186 4.155 4.340 0.001 0.000 0.207 2020 L C 2.701 179.635 176.870 0.106 0.000 1.086 2020 L CA 1.141 56.066 54.840 0.142 0.000 0.760 2020 L CB -0.444 41.680 42.059 0.109 0.000 0.910 2020 L HN 0.237 nan 8.230 nan 0.000 0.437 2021 K N 0.189 120.618 120.400 0.048 0.000 2.026 2021 K HA -0.150 4.171 4.320 0.001 0.000 0.208 2021 K C 1.976 178.555 176.600 -0.034 0.000 1.048 2021 K CA 1.407 57.696 56.287 0.003 0.000 0.929 2021 K CB 0.058 32.547 32.500 -0.017 0.000 0.713 2021 K HN 0.073 nan 8.250 nan 0.000 0.439 2022 V N 0.343 120.267 119.914 0.017 0.000 2.548 2022 V HA -0.115 4.006 4.120 0.001 0.000 0.249 2022 V C 2.322 178.450 176.094 0.057 0.000 1.055 2022 V CA 1.937 64.275 62.300 0.064 0.000 1.065 2022 V CB -0.571 31.354 31.823 0.171 0.000 0.681 2022 V HN 0.564 nan 8.190 nan 0.000 0.462 2023 G N -0.269 108.494 108.800 -0.062 0.000 2.432 2023 G HA2 -0.284 3.676 3.960 0.001 0.000 0.219 2023 G HA3 -0.284 3.676 3.960 0.001 0.000 0.219 2023 G C 1.497 175.784 174.900 -1.022 0.000 1.135 2023 G CA 0.950 45.769 45.100 -0.469 0.000 0.767 2023 G HN 0.603 nan 8.290 nan 0.000 0.550 2024 E N 0.261 119.901 120.200 -0.933 0.000 2.051 2024 E HA -0.176 4.175 4.350 0.001 0.000 0.192 2024 E C 2.259 178.593 176.600 -0.443 0.000 0.991 2024 E CA 1.426 57.328 56.400 -0.830 0.000 0.799 2024 E CB -0.157 29.378 29.700 -0.274 0.000 0.748 2024 E HN 0.366 nan 8.360 nan 0.000 0.449 2025 E N 0.827 120.866 120.200 -0.268 0.000 2.072 2025 E HA -0.132 4.218 4.350 0.001 0.000 0.191 2025 E C 1.927 178.414 176.600 -0.188 0.000 0.985 2025 E CA 1.288 57.587 56.400 -0.168 0.000 0.801 2025 E CB -0.272 29.371 29.700 -0.095 0.000 0.750 2025 E HN 0.453 nan 8.360 nan 0.000 0.452 2026 I N 0.173 120.627 120.570 -0.194 0.000 2.394 2026 I HA -0.197 3.973 4.170 0.001 0.000 0.251 2026 I C 2.153 178.059 176.117 -0.352 0.000 1.136 2026 I CA 0.903 62.085 61.300 -0.198 0.000 1.425 2026 I CB -0.189 37.811 38.000 -0.001 0.000 1.079 2026 I HN 0.070 nan 8.210 nan 0.000 0.425 2027 K N 1.540 121.716 120.400 -0.374 0.000 2.057 2027 K HA -0.178 4.143 4.320 0.001 0.000 0.206 2027 K C 2.179 178.620 176.600 -0.265 0.000 1.050 2027 K CA 1.465 57.557 56.287 -0.325 0.000 0.935 2027 K CB -0.270 31.988 32.500 -0.404 0.000 0.715 2027 K HN 0.077 nan 8.250 nan 0.000 0.439 2028 R N -0.278 120.076 120.500 -0.242 0.000 2.073 2028 R HA -0.066 4.274 4.340 0.001 0.000 0.234 2028 R C 1.875 178.059 176.300 -0.194 0.000 1.134 2028 R CA 1.330 57.325 56.100 -0.176 0.000 0.952 2028 R CB -0.265 29.956 30.300 -0.133 0.000 0.850 2028 R HN 0.140 nan 8.270 nan 0.000 0.433 2029 L N 0.643 121.731 121.223 -0.224 0.000 2.079 2029 L HA -0.143 4.197 4.340 0.001 0.000 0.210 2029 L C 2.483 179.156 176.870 -0.328 0.000 1.081 2029 L CA 1.664 56.426 54.840 -0.131 0.000 0.752 2029 L CB -1.489 40.520 42.059 -0.083 0.000 0.896 2029 L HN 0.261 nan 8.230 nan 0.000 0.433 2030 S N -0.696 114.575 115.700 -0.715 0.000 2.370 2030 S HA -0.181 4.290 4.470 0.001 0.000 0.226 2030 S C 1.789 176.313 174.600 -0.127 0.000 1.033 2030 S CA 1.221 59.084 58.200 -0.561 0.000 1.011 2030 S CB 0.042 62.999 63.200 -0.404 0.000 0.852 2030 S HN 0.422 nan 8.310 nan 0.000 0.457 2031 E N 0.655 120.773 120.200 -0.136 0.000 2.216 2031 E HA -0.009 4.342 4.350 0.001 0.000 0.192 2031 E C 1.938 178.476 176.600 -0.102 0.000 0.988 2031 E CA 0.569 56.922 56.400 -0.078 0.000 0.834 2031 E CB -0.168 29.484 29.700 -0.079 0.000 0.772 2031 E HN 0.586 nan 8.360 nan 0.000 0.479 2032 K N -0.268 120.021 120.400 -0.185 0.000 2.186 2032 K HA 0.010 4.331 4.320 0.001 0.000 0.202 2032 K C 0.044 176.350 176.600 -0.490 0.000 1.052 2032 K CA 0.432 56.487 56.287 -0.387 0.000 0.965 2032 K CB 0.234 32.384 32.500 -0.584 0.000 0.746 2032 K HN -0.070 nan 8.250 nan 0.000 0.457 2033 F N 1.655 121.665 119.950 0.101 0.000 2.389 2033 F HA 0.302 4.830 4.527 0.001 0.000 0.327 2033 F C 0.565 176.494 175.800 0.214 0.000 1.204 2033 F CA -0.863 57.249 58.000 0.187 0.000 1.209 2033 F CB 1.248 40.440 39.000 0.319 0.000 1.460 2033 F HN -0.244 nan 8.300 nan 0.000 0.537 2034 K N 0.318 120.853 120.400 0.225 0.000 2.360 2034 K HA -0.184 4.136 4.320 0.001 0.000 0.201 2034 K C 1.667 178.384 176.600 0.195 0.000 1.046 2034 K CA 0.878 57.275 56.287 0.182 0.000 0.940 2034 K CB 0.131 32.691 32.500 0.099 0.000 0.748 2034 K HN 0.412 nan 8.250 nan 0.000 0.465 2035 E N 0.460 120.789 120.200 0.216 0.000 2.435 2035 E HA -0.002 4.348 4.350 0.001 0.000 0.195 2035 E C -0.242 176.472 176.600 0.189 0.000 1.029 2035 E CA 0.088 56.593 56.400 0.176 0.000 0.865 2035 E CB 0.424 30.216 29.700 0.153 0.000 0.833 2035 E HN -0.134 nan 8.360 nan 0.000 0.510 2036 V N 1.239 121.298 119.914 0.241 0.000 2.532 2036 V HA 0.259 4.380 4.120 0.001 0.000 0.295 2036 V C -0.073 176.097 176.094 0.126 0.000 1.041 2036 V CA -0.809 61.574 62.300 0.138 0.000 0.926 2036 V CB 1.669 33.490 31.823 -0.004 0.000 0.992 2036 V HN 0.061 nan 8.190 nan 0.000 0.457 2037 E N 3.093 123.285 120.200 -0.013 0.000 2.146 2037 E HA 0.433 4.784 4.350 0.001 0.000 0.282 2037 E C -1.538 175.003 176.600 -0.098 0.000 0.989 2037 E CA -0.463 55.961 56.400 0.040 0.000 0.799 2037 E CB 0.722 30.432 29.700 0.016 0.000 1.088 2037 E HN 0.483 nan 8.360 nan 0.000 0.397 2038 F N 2.947 122.910 119.950 0.022 0.000 2.397 2038 F HA 0.415 4.942 4.527 0.001 0.000 0.331 2038 F C -0.119 175.680 175.800 -0.002 0.000 1.090 2038 F CA -0.682 57.318 58.000 0.001 0.000 1.065 2038 F CB 1.674 40.693 39.000 0.030 0.000 1.184 2038 F HN 0.142 nan 8.300 nan 0.000 0.499 2039 V N 3.626 123.614 119.914 0.124 0.000 2.623 2039 V HA 0.243 4.364 4.120 0.001 0.000 0.304 2039 V C -0.886 175.256 176.094 0.079 0.000 1.054 2039 V CA -1.023 61.324 62.300 0.078 0.000 0.882 2039 V CB 1.737 33.539 31.823 -0.035 0.000 1.002 2039 V HN 0.551 nan 8.190 nan 0.000 0.424 2040 F N 5.644 125.600 119.950 0.009 0.000 2.427 2040 F HA 0.555 5.082 4.527 0.001 0.000 0.352 2040 F C 0.249 176.031 175.800 -0.030 0.000 1.100 2040 F CA 0.273 58.267 58.000 -0.010 0.000 1.191 2040 F CB 0.564 39.573 39.000 0.016 0.000 1.128 2040 F HN 0.393 nan 8.300 nan 0.000 0.533 2041 K N 4.512 124.537 120.400 -0.624 0.000 2.371 2041 K HA 0.630 4.951 4.320 0.001 0.000 0.251 2041 K C -1.652 174.700 176.600 -0.414 0.000 0.934 2041 K CA -0.470 55.591 56.287 -0.376 0.000 0.798 2041 K CB 1.873 34.144 32.500 -0.383 0.000 1.204 2041 K HN 0.694 nan 8.250 nan 0.000 0.427 2042 S N 1.070 116.708 115.700 -0.103 0.000 2.578 2042 S HA 0.313 4.784 4.470 0.001 0.000 0.285 2042 S C -1.778 172.874 174.600 0.087 0.000 1.126 2042 S CA -0.530 57.674 58.200 0.007 0.000 0.878 2042 S CB 1.028 64.299 63.200 0.119 0.000 1.091 2042 S HN 0.500 nan 8.310 nan 0.000 0.450 2043 S N 2.981 118.726 115.700 0.076 0.000 2.480 2043 S HA 0.416 4.886 4.470 0.001 0.000 0.286 2043 S C 0.765 175.410 174.600 0.075 0.000 1.180 2043 S CA -0.607 57.587 58.200 -0.009 0.000 1.075 2043 S CB 0.396 63.564 63.200 -0.054 0.000 0.996 2043 S HN 0.669 nan 8.310 nan 0.000 0.487 2044 F N 0.691 120.740 119.950 0.164 0.000 2.710 2044 F HA 0.427 4.955 4.527 0.001 0.000 0.298 2044 F C 0.423 176.307 175.800 0.140 0.000 1.137 2044 F CA -0.336 57.772 58.000 0.180 0.000 1.444 2044 F CB -0.087 39.007 39.000 0.157 0.000 1.111 2044 F HN 0.470 nan 8.300 nan 0.000 0.580 2045 D N 0.189 120.468 120.400 -0.203 0.000 2.871 2045 D HA 0.197 4.838 4.640 0.001 0.000 0.209 2045 D C -1.474 174.673 176.300 -0.254 0.000 1.292 2045 D CA -0.601 53.315 54.000 -0.140 0.000 0.869 2045 D CB 1.126 41.943 40.800 0.028 0.000 1.663 2045 D HN -0.180 nan 8.370 nan 0.000 0.557 2046 K N 3.135 123.402 120.400 -0.221 0.000 2.184 2046 K HA 0.494 4.814 4.320 0.001 0.000 0.259 2046 K C 0.539 176.990 176.600 -0.248 0.000 1.119 2046 K CA -0.254 55.919 56.287 -0.190 0.000 0.991 2046 K CB 0.766 33.214 32.500 -0.087 0.000 1.522 2046 K HN 0.472 nan 8.250 nan 0.000 0.405 2047 A N 2.663 125.222 122.820 -0.434 0.000 2.206 2047 A HA -0.097 4.224 4.320 0.001 0.000 0.211 2047 A C 1.034 178.507 177.584 -0.186 0.000 1.158 2047 A CA 0.728 52.528 52.037 -0.394 0.000 0.761 2047 A CB -0.554 17.986 19.000 -0.766 0.000 0.801 2047 A HN 0.813 nan 8.150 nan 0.000 0.473 2048 N N -1.405 117.231 118.700 -0.108 0.000 2.365 2048 N HA 0.121 4.861 4.740 0.001 0.000 0.257 2048 N C -0.334 175.213 175.510 0.062 0.000 1.287 2048 N CA -0.729 52.340 53.050 0.032 0.000 0.882 2048 N CB 0.480 39.068 38.487 0.168 0.000 1.250 2048 N HN -0.057 nan 8.380 nan 0.000 0.507 2049 R N 0.684 121.190 120.500 0.010 0.000 2.679 2049 R HA 0.000 4.341 4.340 0.001 0.000 0.268 2049 R C 1.163 177.483 176.300 0.033 0.000 1.044 2049 R CA 0.056 56.173 56.100 0.028 0.000 1.105 2049 R CB 1.117 31.423 30.300 0.009 0.000 0.989 2049 R HN 0.219 nan 8.270 nan 0.000 0.447 2050 S N 0.891 116.617 115.700 0.044 0.000 2.355 2050 S HA -0.101 4.369 4.470 0.001 0.000 0.222 2050 S C 0.923 175.524 174.600 0.001 0.000 1.031 2050 S CA 1.218 59.436 58.200 0.029 0.000 0.993 2050 S CB 0.129 63.352 63.200 0.038 0.000 0.859 2050 S HN 0.599 nan 8.310 nan 0.000 0.453 2051 S N -0.095 115.607 115.700 0.004 0.000 2.554 2051 S HA 0.382 4.852 4.470 0.001 0.000 0.278 2051 S C 0.699 175.263 174.600 -0.061 0.000 1.242 2051 S CA -0.626 57.563 58.200 -0.019 0.000 1.051 2051 S CB 1.075 64.292 63.200 0.028 0.000 0.986 2051 S HN 0.375 nan 8.310 nan 0.000 0.502 2052 I N 4.070 124.541 120.570 -0.164 0.000 2.676 2052 I HA 0.024 4.195 4.170 0.001 0.000 0.259 2052 I C 1.079 177.069 176.117 -0.212 0.000 1.194 2052 I CA 1.625 62.790 61.300 -0.225 0.000 1.473 2052 I CB -0.330 37.467 38.000 -0.339 0.000 1.096 2052 I HN 0.821 nan 8.210 nan 0.000 0.443 2053 H N -0.714 118.360 119.070 0.008 0.000 2.610 2053 H HA 0.351 4.908 4.556 0.001 0.000 0.302 2053 H C 0.431 175.777 175.328 0.030 0.000 1.063 2053 H CA -0.344 55.713 56.048 0.015 0.000 1.159 2053 H CB 0.041 29.812 29.762 0.014 0.000 1.427 2053 H HN 0.132 nan 8.280 nan 0.000 0.553 2054 S N 0.420 116.183 115.700 0.106 0.000 2.638 2054 S HA 0.186 4.656 4.470 0.001 0.000 0.298 2054 S C -0.491 174.178 174.600 0.114 0.000 1.111 2054 S CA -0.854 57.413 58.200 0.112 0.000 1.027 2054 S CB 1.064 64.313 63.200 0.081 0.000 1.064 2054 S HN 0.324 nan 8.310 nan 0.000 0.525 2055 F N 2.310 122.268 119.950 0.013 0.000 2.538 2055 F HA 0.233 4.761 4.527 0.001 0.000 0.371 2055 F C 1.201 176.999 175.800 -0.004 0.000 1.087 2055 F CA 0.331 58.330 58.000 -0.002 0.000 1.250 2055 F CB 0.429 39.432 39.000 0.005 0.000 1.110 2055 F HN 0.581 nan 8.300 nan 0.000 0.570 2056 R N 3.316 123.315 120.500 -0.836 0.000 2.194 2056 R HA 0.469 4.810 4.340 0.001 0.000 0.194 2056 R C 0.555 176.282 176.300 -0.954 0.000 0.985 2056 R CA 0.167 55.866 56.100 -0.669 0.000 1.104 2056 R CB 0.384 30.480 30.300 -0.340 0.000 1.092 2056 R HN 0.913 nan 8.270 nan 0.000 0.555 2057 G N -0.630 107.387 108.800 -1.304 0.000 2.362 2057 G HA2 -0.077 3.884 3.960 0.001 0.000 0.288 2057 G HA3 -0.077 3.884 3.960 0.001 0.000 0.288 2057 G C -1.161 173.538 174.900 -0.335 0.000 1.305 2057 G CA -0.835 43.861 45.100 -0.674 0.000 0.910 2057 G HN 0.253 nan 8.290 nan 0.000 0.518 2058 H N 0.212 119.287 119.070 0.007 0.000 2.542 2058 H HA 0.520 5.077 4.556 0.001 0.000 0.283 2058 H C 1.168 176.527 175.328 0.051 0.000 1.059 2058 H CA 1.140 57.151 56.048 -0.062 0.000 1.162 2058 H CB 0.589 30.105 29.762 -0.411 0.000 1.539 2058 H HN 1.779 nan 8.280 nan 0.000 0.543 2059 G N -0.045 108.887 108.800 0.220 0.000 2.619 2059 G HA2 -0.218 3.743 3.960 0.001 0.000 0.686 2059 G HA3 -0.218 3.743 3.960 0.001 0.000 0.686 2059 G C 0.202 175.262 174.900 0.267 0.000 1.256 2059 G CA -0.270 44.972 45.100 0.237 0.000 0.826 2059 G HN 0.204 nan 8.290 nan 0.000 0.619 2060 L N 0.279 121.560 121.223 0.096 0.000 2.027 2060 L HA 0.160 4.500 4.340 0.001 0.000 0.206 2060 L C 2.548 179.320 176.870 -0.163 0.000 1.074 2060 L CA 3.011 57.643 54.840 -0.346 0.000 0.745 2060 L CB -0.796 40.986 42.059 -0.461 0.000 0.898 2060 L HN 0.801 nan 8.230 nan 0.000 0.433 2061 E N -1.486 118.717 120.200 0.004 0.000 2.051 2061 E HA -0.297 4.054 4.350 0.001 0.000 0.192 2061 E C 2.126 178.777 176.600 0.086 0.000 0.991 2061 E CA 1.735 58.156 56.400 0.036 0.000 0.799 2061 E CB -0.402 29.340 29.700 0.071 0.000 0.748 2061 E HN 0.626 nan 8.360 nan 0.000 0.449 2062 Y N 0.945 121.276 120.300 0.051 0.000 2.274 2062 Y HA -0.145 4.406 4.550 0.001 0.000 0.290 2062 Y C 2.166 178.116 175.900 0.083 0.000 1.145 2062 Y CA 1.643 59.787 58.100 0.074 0.000 1.203 2062 Y CB -0.338 38.198 38.460 0.127 0.000 0.984 2062 Y HN -0.010 nan 8.280 nan 0.000 0.533 2063 G N -0.676 108.285 108.800 0.269 0.000 2.404 2063 G HA2 -0.204 3.756 3.960 0.001 0.000 0.214 2063 G HA3 -0.204 3.756 3.960 0.001 0.000 0.214 2063 G C 1.641 176.594 174.900 0.087 0.000 1.189 2063 G CA 1.141 46.389 45.100 0.246 0.000 0.789 2063 G HN 0.316 nan 8.290 nan 0.000 0.533 2064 V N 1.136 121.051 119.914 0.002 0.000 2.392 2064 V HA -0.190 3.931 4.120 0.001 0.000 0.249 2064 V C 2.654 178.723 176.094 -0.042 0.000 1.059 2064 V CA 2.292 64.576 62.300 -0.026 0.000 1.051 2064 V CB -0.425 31.353 31.823 -0.075 0.000 0.658 2064 V HN 0.466 nan 8.190 nan 0.000 0.455 2065 K N 0.615 120.966 120.400 -0.081 0.000 1.978 2065 K HA -0.221 4.100 4.320 0.001 0.000 0.214 2065 K C 2.264 178.770 176.600 -0.158 0.000 1.049 2065 K CA 1.860 58.070 56.287 -0.129 0.000 0.939 2065 K CB -0.476 31.911 32.500 -0.188 0.000 0.721 2065 K HN 0.373 nan 8.250 nan 0.000 0.441 2066 A N 1.518 124.198 122.820 -0.234 0.000 1.917 2066 A HA -0.166 4.155 4.320 0.001 0.000 0.219 2066 A C 2.224 179.757 177.584 -0.085 0.000 1.182 2066 A CA 1.707 53.628 52.037 -0.193 0.000 0.633 2066 A CB -0.779 18.099 19.000 -0.205 0.000 0.819 2066 A HN 0.406 nan 8.150 nan 0.000 0.448 2067 L N -1.426 119.788 121.223 -0.014 0.000 2.131 2067 L HA -0.176 4.165 4.340 0.001 0.000 0.210 2067 L C 2.865 179.720 176.870 -0.025 0.000 1.092 2067 L CA 1.238 56.095 54.840 0.028 0.000 0.759 2067 L CB -0.483 41.640 42.059 0.107 0.000 0.903 2067 L HN 0.379 nan 8.230 nan 0.000 0.435 2068 R N 0.286 120.760 120.500 -0.044 0.000 2.075 2068 R HA -0.191 4.150 4.340 0.001 0.000 0.232 2068 R C 2.334 178.582 176.300 -0.087 0.000 1.126 2068 R CA 1.304 57.372 56.100 -0.054 0.000 0.963 2068 R CB -0.140 30.126 30.300 -0.057 0.000 0.858 2068 R HN 0.063 nan 8.270 nan 0.000 0.435 2069 K N 0.652 120.984 120.400 -0.113 0.000 2.103 2069 K HA -0.107 4.214 4.320 0.001 0.000 0.207 2069 K C 1.730 178.219 176.600 -0.184 0.000 1.048 2069 K CA 1.369 57.566 56.287 -0.149 0.000 0.930 2069 K CB -0.328 32.082 32.500 -0.149 0.000 0.716 2069 K HN -0.009 nan 8.250 nan 0.000 0.444 2070 V N 0.811 120.628 119.914 -0.161 0.000 2.379 2070 V HA -0.136 3.985 4.120 0.001 0.000 0.245 2070 V C 2.435 178.485 176.094 -0.073 0.000 1.044 2070 V CA 1.972 64.185 62.300 -0.146 0.000 1.036 2070 V CB -0.471 31.099 31.823 -0.421 0.000 0.664 2070 V HN 0.431 nan 8.190 nan 0.000 0.453 2071 K N 0.181 120.539 120.400 -0.070 0.000 2.148 2071 K HA -0.178 4.143 4.320 0.001 0.000 0.204 2071 K C 1.973 178.544 176.600 -0.049 0.000 1.050 2071 K CA 1.599 57.872 56.287 -0.023 0.000 0.942 2071 K CB 0.008 32.504 32.500 -0.006 0.000 0.724 2071 K HN 0.594 nan 8.250 nan 0.000 0.446 2072 E N 0.142 120.282 120.200 -0.101 0.000 2.086 2072 E HA -0.138 4.213 4.350 0.001 0.000 0.190 2072 E C 1.745 178.228 176.600 -0.196 0.000 0.975 2072 E CA 0.731 57.059 56.400 -0.120 0.000 0.813 2072 E CB 0.120 29.750 29.700 -0.117 0.000 0.768 2072 E HN 0.376 nan 8.360 nan 0.000 0.457 2073 E N -0.534 119.459 120.200 -0.344 0.000 2.358 2073 E HA -0.079 4.271 4.350 0.001 0.000 0.195 2073 E C 0.526 176.656 176.600 -0.782 0.000 1.010 2073 E CA 0.624 56.649 56.400 -0.625 0.000 0.856 2073 E CB 0.304 29.455 29.700 -0.915 0.000 0.795 2073 E HN 0.152 nan 8.360 nan 0.000 0.504 2074 F N -1.510 118.384 119.950 -0.094 0.000 2.871 2074 F HA 0.339 4.866 4.527 0.001 0.000 0.344 2074 F C 1.141 176.905 175.800 -0.059 0.000 1.078 2074 F CA 0.255 58.205 58.000 -0.084 0.000 1.149 2074 F CB 1.057 39.988 39.000 -0.115 0.000 1.087 2074 F HN 0.013 nan 8.300 nan 0.000 0.557 2075 G N 2.097 110.947 108.800 0.084 0.000 2.273 2075 G HA2 -0.297 3.664 3.960 0.001 0.000 0.280 2075 G HA3 -0.297 3.664 3.960 0.001 0.000 0.280 2075 G C -0.135 174.815 174.900 0.082 0.000 1.047 2075 G CA 0.094 45.230 45.100 0.061 0.000 0.869 2075 G HN 0.296 nan 8.290 nan 0.000 0.502 2076 L N -0.500 120.782 121.223 0.099 0.000 2.322 2076 L HA 0.464 4.805 4.340 0.001 0.000 0.279 2076 L C 1.077 178.012 176.870 0.107 0.000 1.036 2076 L CA -0.983 53.923 54.840 0.110 0.000 0.807 2076 L CB 1.207 43.339 42.059 0.121 0.000 1.226 2076 L HN 0.024 nan 8.230 nan 0.000 0.433 2077 K N 2.452 122.922 120.400 0.117 0.000 2.319 2077 K HA 0.368 4.689 4.320 0.001 0.000 0.265 2077 K C -0.630 176.047 176.600 0.129 0.000 1.000 2077 K CA -0.304 56.044 56.287 0.101 0.000 0.943 2077 K CB 0.853 33.404 32.500 0.084 0.000 0.950 2077 K HN 0.297 nan 8.250 nan 0.000 0.485 2078 I N 0.829 121.466 120.570 0.112 0.000 2.693 2078 I HA 0.318 4.489 4.170 0.001 0.000 0.303 2078 I C 0.164 176.341 176.117 0.100 0.000 1.025 2078 I CA -0.418 60.968 61.300 0.143 0.000 1.086 2078 I CB 1.848 39.929 38.000 0.136 0.000 1.268 2078 I HN 0.570 nan 8.210 nan 0.000 0.440 2079 T N 2.439 117.055 114.554 0.103 0.000 3.041 2079 T HA 0.570 4.921 4.350 0.001 0.000 0.321 2079 T C -1.009 173.733 174.700 0.070 0.000 1.184 2079 T CA -0.188 61.949 62.100 0.062 0.000 1.050 2079 T CB 1.540 70.417 68.868 0.015 0.000 1.159 2079 T HN 0.873 nan 8.240 nan 0.000 0.469 2080 T N 2.227 116.824 114.554 0.071 0.000 2.792 2080 T HA 0.608 4.959 4.350 0.001 0.000 0.303 2080 T C -2.025 172.673 174.700 -0.003 0.000 1.310 2080 T CA -0.661 61.479 62.100 0.066 0.000 1.007 2080 T CB 1.570 70.551 68.868 0.188 0.000 1.335 2080 T HN 0.808 nan 8.240 nan 0.000 0.504 2081 D N 1.887 122.214 120.400 -0.122 0.000 2.228 2081 D HA 0.534 5.174 4.640 0.001 0.000 0.247 2081 D C 0.163 176.170 176.300 -0.488 0.000 0.995 2081 D CA -0.677 53.171 54.000 -0.253 0.000 0.903 2081 D CB 1.179 41.830 40.800 -0.249 0.000 1.205 2081 D HN 0.778 nan 8.370 nan 0.000 0.459 2082 I N -2.366 117.928 120.570 -0.460 0.000 2.707 2082 I HA 0.506 4.677 4.170 0.001 0.000 0.309 2082 I C -0.386 175.292 176.117 -0.731 0.000 1.001 2082 I CA -0.935 60.072 61.300 -0.490 0.000 1.129 2082 I CB 1.839 39.712 38.000 -0.211 0.000 1.308 2082 I HN 0.357 nan 8.210 nan 0.000 0.466 2083 H N 0.264 119.289 119.070 -0.075 0.000 3.360 2083 H HA 0.449 5.006 4.556 0.001 0.000 0.262 2083 H C -0.690 174.618 175.328 -0.033 0.000 1.149 2083 H CA -0.276 55.742 56.048 -0.049 0.000 1.181 2083 H CB 0.880 30.621 29.762 -0.034 0.000 1.564 2083 H HN 0.590 nan 8.280 nan 0.000 0.565 2084 E N -0.282 119.887 120.200 -0.052 0.000 2.372 2084 E HA 0.240 4.591 4.350 0.001 0.000 0.279 2084 E C -0.017 176.486 176.600 -0.160 0.000 0.946 2084 E CA -0.269 56.112 56.400 -0.030 0.000 0.769 2084 E CB 2.453 32.226 29.700 0.123 0.000 1.230 2084 E HN -0.022 nan 8.360 nan 0.000 0.442 2085 S N 1.783 117.489 115.700 0.009 0.000 2.378 2085 S HA -0.217 4.254 4.470 0.001 0.000 0.229 2085 S C 1.683 176.295 174.600 0.020 0.000 1.052 2085 S CA 2.245 60.463 58.200 0.030 0.000 1.084 2085 S CB -0.400 62.865 63.200 0.108 0.000 0.950 2085 S HN 0.775 nan 8.310 nan 0.000 0.440 2086 W N 2.146 123.472 121.300 0.044 0.000 2.331 2086 W HA -0.209 4.452 4.660 0.001 0.000 0.291 2086 W C 1.434 177.972 176.519 0.031 0.000 1.214 2086 W CA 1.289 58.654 57.345 0.034 0.000 1.228 2086 W CB -1.111 28.368 29.460 0.032 0.000 1.135 2086 W HN 0.437 nan 8.180 nan 0.000 0.537 2087 Q N 0.995 120.327 119.800 -0.781 0.000 2.291 2087 Q HA -0.031 4.310 4.340 0.001 0.000 0.205 2087 Q C 2.693 178.527 176.000 -0.276 0.000 0.970 2087 Q CA 1.468 56.827 55.803 -0.741 0.000 0.876 2087 Q CB -0.492 27.714 28.738 -0.887 0.000 0.935 2087 Q HN 0.366 nan 8.270 nan 0.000 0.455 2088 A N 1.764 124.484 122.820 -0.167 0.000 1.892 2088 A HA -0.293 4.028 4.320 0.001 0.000 0.218 2088 A C 1.971 179.533 177.584 -0.035 0.000 1.188 2088 A CA 1.794 53.786 52.037 -0.075 0.000 0.631 2088 A CB -0.487 18.490 19.000 -0.039 0.000 0.822 2088 A HN 0.425 nan 8.150 nan 0.000 0.447 2089 E N -0.594 119.603 120.200 -0.005 0.000 2.028 2089 E HA -0.127 4.224 4.350 0.001 0.000 0.191 2089 E C -0.509 176.094 176.600 0.005 0.000 0.988 2089 E CA 1.207 57.616 56.400 0.015 0.000 0.799 2089 E CB -0.485 29.242 29.700 0.045 0.000 0.755 2089 E HN 0.497 nan 8.360 nan 0.000 0.447 2090 P HA -0.124 nan 4.420 nan 0.000 0.217 2090 P C 1.544 178.814 177.300 -0.049 0.000 1.150 2090 P CA 1.033 64.126 63.100 -0.012 0.000 0.832 2090 P CB 0.035 31.739 31.700 0.007 0.000 0.787 2091 V N 0.878 120.747 119.914 -0.076 0.000 2.453 2091 V HA -0.158 3.962 4.120 0.001 0.000 0.247 2091 V C 2.829 178.918 176.094 -0.009 0.000 1.048 2091 V CA 1.907 64.175 62.300 -0.054 0.000 1.049 2091 V CB -1.649 30.154 31.823 -0.034 0.000 0.672 2091 V HN 0.094 nan 8.190 nan 0.000 0.457 2092 A N -0.247 122.569 122.820 -0.007 0.000 2.076 2092 A HA -0.201 4.120 4.320 0.001 0.000 0.220 2092 A C 2.112 179.701 177.584 0.009 0.000 1.160 2092 A CA 1.461 53.502 52.037 0.007 0.000 0.653 2092 A CB -0.353 18.650 19.000 0.006 0.000 0.801 2092 A HN 0.570 nan 8.150 nan 0.000 0.455 2093 E N -0.206 119.996 120.200 0.002 0.000 2.097 2093 E HA -0.163 4.187 4.350 0.001 0.000 0.196 2093 E C 1.950 178.554 176.600 0.006 0.000 1.000 2093 E CA 1.816 58.218 56.400 0.002 0.000 0.804 2093 E CB -0.412 29.285 29.700 -0.004 0.000 0.740 2093 E HN 0.511 nan 8.360 nan 0.000 0.454 2094 V N 0.407 120.328 119.914 0.010 0.000 2.908 2094 V HA 0.194 4.314 4.120 0.001 0.000 0.240 2094 V C 1.048 177.165 176.094 0.038 0.000 1.117 2094 V CA 0.507 62.819 62.300 0.020 0.000 1.133 2094 V CB -0.146 31.689 31.823 0.020 0.000 0.857 2094 V HN 0.111 nan 8.190 nan 0.000 0.478 2095 A N 0.873 123.720 122.820 0.045 0.000 2.492 2095 A HA 0.116 4.436 4.320 0.001 0.000 0.254 2095 A C 0.987 178.600 177.584 0.049 0.000 1.091 2095 A CA 0.094 52.166 52.037 0.058 0.000 0.768 2095 A CB -0.121 18.916 19.000 0.062 0.000 1.028 2095 A HN 0.432 nan 8.150 nan 0.000 0.498 2096 D N 1.463 121.896 120.400 0.055 0.000 2.213 2096 D HA 0.069 4.710 4.640 0.001 0.000 0.205 2096 D C 0.212 176.548 176.300 0.059 0.000 0.961 2096 D CA 1.355 55.388 54.000 0.054 0.000 0.853 2096 D CB 0.232 41.066 40.800 0.057 0.000 0.967 2096 D HN 0.591 nan 8.370 nan 0.000 0.496 2097 I N 1.459 122.060 120.570 0.053 0.000 2.466 2097 I HA 0.288 4.459 4.170 0.001 0.000 0.289 2097 I C -0.390 175.753 176.117 0.043 0.000 1.026 2097 I CA -0.662 60.672 61.300 0.057 0.000 1.078 2097 I CB 2.770 40.784 38.000 0.024 0.000 1.249 2097 I HN -0.314 nan 8.210 nan 0.000 0.429 2098 I N 5.438 126.033 120.570 0.041 0.000 2.331 2098 I HA 0.245 4.415 4.170 0.001 0.000 0.292 2098 I C 0.059 176.177 176.117 0.003 0.000 0.998 2098 I CA -0.322 60.989 61.300 0.017 0.000 1.267 2098 I CB 1.294 39.299 38.000 0.008 0.000 1.386 2098 I HN 0.571 nan 8.210 nan 0.000 0.476 2099 Q N 6.082 125.867 119.800 -0.026 0.000 2.278 2099 Q HA 0.423 4.764 4.340 0.001 0.000 0.257 2099 Q C -0.972 174.971 176.000 -0.096 0.000 0.928 2099 Q CA -0.779 54.992 55.803 -0.053 0.000 0.932 2099 Q CB 1.556 30.263 28.738 -0.051 0.000 1.221 2099 Q HN 0.470 nan 8.270 nan 0.000 0.434 2100 I N 6.352 126.870 120.570 -0.087 0.000 2.331 2100 I HA 0.326 4.497 4.170 0.001 0.000 0.292 2100 I C -2.147 173.901 176.117 -0.114 0.000 0.998 2100 I CA -2.605 58.643 61.300 -0.087 0.000 1.267 2100 I CB 0.883 38.854 38.000 -0.047 0.000 1.386 2100 I HN 0.426 nan 8.210 nan 0.000 0.476 2101 P HA 0.087 nan 4.420 nan 0.000 0.269 2101 P C 0.569 177.791 177.300 -0.131 0.000 1.215 2101 P CA 0.023 63.047 63.100 -0.126 0.000 0.780 2101 P CB 0.879 32.567 31.700 -0.021 0.000 0.898 2102 A N 2.405 125.071 122.820 -0.257 0.000 1.883 2102 A HA -0.222 4.098 4.320 0.001 0.000 0.217 2102 A C 1.688 179.276 177.584 0.006 0.000 1.186 2102 A CA 1.783 53.674 52.037 -0.244 0.000 0.624 2102 A CB -1.696 17.065 19.000 -0.398 0.000 0.822 2102 A HN 0.508 nan 8.150 nan 0.000 0.444 2103 F N -0.177 119.825 119.950 0.087 0.000 2.333 2103 F HA -0.020 4.507 4.527 0.001 0.000 0.300 2103 F C 1.655 177.584 175.800 0.215 0.000 1.083 2103 F CA 0.483 58.626 58.000 0.238 0.000 1.395 2103 F CB -0.591 38.491 39.000 0.137 0.000 1.056 2103 F HN 0.112 nan 8.300 nan 0.000 0.529 2104 L N -0.528 120.865 121.223 0.283 0.000 2.667 2104 L HA 0.079 4.419 4.340 0.001 0.000 0.232 2104 L C 1.974 178.927 176.870 0.137 0.000 1.138 2104 L CA -0.000 54.951 54.840 0.186 0.000 0.921 2104 L CB -0.784 41.351 42.059 0.127 0.000 1.180 2104 L HN 0.246 nan 8.230 nan 0.000 0.487 2105 C N -1.204 118.181 119.300 0.142 0.000 2.421 2105 C HA -0.011 4.449 4.460 0.001 0.000 0.296 2105 C C 2.287 177.341 174.990 0.106 0.000 1.470 2105 C CA 0.004 59.068 59.018 0.077 0.000 1.779 2105 C CB -0.852 26.889 27.740 0.001 0.000 1.715 2105 C HN 0.443 nan 8.230 nan 0.000 0.564 2106 R N -0.158 120.439 120.500 0.161 0.000 2.365 2106 R HA 0.173 4.513 4.340 0.001 0.000 0.223 2106 R C 0.311 176.653 176.300 0.070 0.000 0.899 2106 R CA 0.197 56.368 56.100 0.119 0.000 1.059 2106 R CB -0.206 30.181 30.300 0.146 0.000 1.086 2106 R HN 0.603 nan 8.270 nan 0.000 0.522 2107 Q N 1.315 121.158 119.800 0.072 0.000 2.348 2107 Q HA 0.079 4.419 4.340 0.001 0.000 0.251 2107 Q C 0.764 176.791 176.000 0.046 0.000 1.113 2107 Q CA 0.243 56.079 55.803 0.054 0.000 0.902 2107 Q CB 0.722 29.497 28.738 0.061 0.000 1.333 2107 Q HN 0.027 nan 8.270 nan 0.000 0.457 2108 T N 1.698 116.274 114.554 0.038 0.000 2.665 2108 T HA -0.177 4.173 4.350 0.001 0.000 0.268 2108 T C 0.906 175.637 174.700 0.052 0.000 1.035 2108 T CA 1.724 63.847 62.100 0.039 0.000 1.151 2108 T CB 0.073 68.956 68.868 0.025 0.000 0.862 2108 T HN 0.493 nan 8.240 nan 0.000 0.438 2109 D N 0.672 121.103 120.400 0.052 0.000 2.178 2109 D HA -0.028 4.612 4.640 0.001 0.000 0.201 2109 D C 2.009 178.340 176.300 0.052 0.000 0.980 2109 D CA 0.499 54.535 54.000 0.059 0.000 0.842 2109 D CB -0.361 40.475 40.800 0.061 0.000 0.948 2109 D HN 0.196 nan 8.370 nan 0.000 0.472 2110 L N 0.522 121.771 121.223 0.044 0.000 2.093 2110 L HA -0.050 4.291 4.340 0.001 0.000 0.208 2110 L C 2.144 179.026 176.870 0.021 0.000 1.085 2110 L CA 1.202 56.058 54.840 0.027 0.000 0.755 2110 L CB -0.383 41.691 42.059 0.025 0.000 0.904 2110 L HN -0.017 nan 8.230 nan 0.000 0.435 2111 L N -1.549 119.694 121.223 0.033 0.000 2.072 2111 L HA -0.194 4.147 4.340 0.001 0.000 0.205 2111 L C 2.454 179.349 176.870 0.042 0.000 1.079 2111 L CA 1.054 55.914 54.840 0.033 0.000 0.752 2111 L CB -0.540 41.542 42.059 0.040 0.000 0.906 2111 L HN 0.262 nan 8.230 nan 0.000 0.436 2112 L N -0.253 121.006 121.223 0.060 0.000 2.046 2112 L HA -0.180 4.160 4.340 0.001 0.000 0.208 2112 L C 2.896 179.789 176.870 0.038 0.000 1.077 2112 L CA 1.138 56.018 54.840 0.067 0.000 0.747 2112 L CB -0.737 41.382 42.059 0.099 0.000 0.896 2112 L HN 0.235 nan 8.230 nan 0.000 0.432 2113 A N 0.029 122.870 122.820 0.035 0.000 1.933 2113 A HA -0.160 4.161 4.320 0.001 0.000 0.218 2113 A C 2.515 180.106 177.584 0.010 0.000 1.175 2113 A CA 1.753 53.804 52.037 0.024 0.000 0.628 2113 A CB -0.616 18.398 19.000 0.024 0.000 0.814 2113 A HN 0.409 nan 8.150 nan 0.000 0.444 2114 A N -0.232 122.591 122.820 0.006 0.000 1.898 2114 A HA 0.239 4.559 4.320 0.001 0.000 0.216 2114 A C 2.496 180.085 177.584 0.008 0.000 1.181 2114 A CA 1.847 53.885 52.037 0.002 0.000 0.620 2114 A CB -0.976 18.023 19.000 -0.001 0.000 0.819 2114 A HN 1.018 nan 8.150 nan 0.000 0.442 2115 A N -0.034 122.793 122.820 0.011 0.000 1.933 2115 A HA -0.175 4.146 4.320 0.001 0.000 0.218 2115 A C 2.113 179.694 177.584 -0.006 0.000 1.175 2115 A CA 1.975 54.015 52.037 0.005 0.000 0.628 2115 A CB -0.479 18.526 19.000 0.008 0.000 0.814 2115 A HN 0.553 nan 8.150 nan 0.000 0.444 2116 K N -0.032 120.364 120.400 -0.006 0.000 2.152 2116 K HA -0.175 4.145 4.320 0.001 0.000 0.206 2116 K C 1.960 178.557 176.600 -0.006 0.000 1.048 2116 K CA 1.950 58.230 56.287 -0.012 0.000 0.933 2116 K CB -0.363 32.135 32.500 -0.004 0.000 0.721 2116 K HN 0.638 nan 8.250 nan 0.000 0.447 2117 T N -3.269 111.285 114.554 0.001 0.000 3.007 2117 T HA 0.034 4.384 4.350 0.001 0.000 0.270 2117 T C 1.506 176.209 174.700 0.005 0.000 1.107 2117 T CA 1.205 63.308 62.100 0.005 0.000 1.118 2117 T CB -0.247 68.625 68.868 0.007 0.000 0.889 2117 T HN 0.467 nan 8.240 nan 0.000 0.506 2118 G N 1.239 110.040 108.800 0.003 0.000 2.217 2118 G HA2 -0.235 3.726 3.960 0.001 0.000 0.246 2118 G HA3 -0.235 3.726 3.960 0.001 0.000 0.246 2118 G C 0.422 175.331 174.900 0.014 0.000 0.990 2118 G CA -0.019 45.084 45.100 0.004 0.000 0.627 2118 G HN 0.638 nan 8.290 nan 0.000 0.522 2119 R N 0.856 121.368 120.500 0.020 0.000 2.738 2119 R HA 0.674 5.014 4.340 0.001 0.000 0.275 2119 R C 0.930 177.257 176.300 0.045 0.000 1.121 2119 R CA 0.341 56.462 56.100 0.034 0.000 1.207 2119 R CB -0.210 30.111 30.300 0.035 0.000 1.141 2119 R HN 0.749 nan 8.270 nan 0.000 0.571 2120 A N 0.551 123.416 122.820 0.075 0.000 2.322 2120 A HA 0.457 4.777 4.320 0.001 0.000 0.269 2120 A C -0.366 177.287 177.584 0.115 0.000 1.094 2120 A CA -0.466 51.638 52.037 0.112 0.000 0.807 2120 A CB 0.694 19.825 19.000 0.218 0.000 1.047 2120 A HN 0.316 nan 8.150 nan 0.000 0.487 2121 V N 1.996 121.984 119.914 0.123 0.000 2.588 2121 V HA 0.379 4.500 4.120 0.001 0.000 0.304 2121 V C -0.100 176.097 176.094 0.171 0.000 1.042 2121 V CA -0.723 61.639 62.300 0.104 0.000 0.877 2121 V CB 1.676 33.529 31.823 0.050 0.000 0.996 2121 V HN 0.967 nan 8.190 nan 0.000 0.425 2122 N N 3.113 121.889 118.700 0.126 0.000 2.483 2122 N HA 0.536 5.276 4.740 0.001 0.000 0.267 2122 N C -1.361 174.156 175.510 0.013 0.000 0.998 2122 N CA -0.408 52.712 53.050 0.115 0.000 0.918 2122 N CB 1.699 40.211 38.487 0.042 0.000 1.215 2122 N HN 0.463 nan 8.380 nan 0.000 0.500 2123 V N 4.126 124.044 119.914 0.007 0.000 2.364 2123 V HA 0.240 4.361 4.120 0.001 0.000 0.272 2123 V C 0.240 176.271 176.094 -0.106 0.000 1.036 2123 V CA -0.756 61.516 62.300 -0.047 0.000 0.880 2123 V CB 0.935 32.743 31.823 -0.024 0.000 0.991 2123 V HN 0.567 nan 8.190 nan 0.000 0.460 2124 K N 3.945 124.241 120.400 -0.173 0.000 2.416 2124 K HA 0.120 4.441 4.320 0.001 0.000 0.283 2124 K C 0.165 176.629 176.600 -0.228 0.000 1.037 2124 K CA -0.040 56.093 56.287 -0.256 0.000 0.995 2124 K CB 0.570 32.867 32.500 -0.339 0.000 0.938 2124 K HN 0.613 nan 8.250 nan 0.000 0.475 2125 K N 1.837 122.096 120.400 -0.235 0.000 2.378 2125 K HA 0.086 4.406 4.320 0.001 0.000 0.288 2125 K C 0.306 176.688 176.600 -0.364 0.000 1.057 2125 K CA -0.129 56.005 56.287 -0.254 0.000 0.971 2125 K CB 0.387 32.758 32.500 -0.216 0.000 0.975 2125 K HN 0.696 nan 8.250 nan 0.000 0.475 2126 G N 3.283 111.769 108.800 -0.523 0.000 2.391 2126 G HA2 -0.120 3.841 3.960 0.001 0.000 0.234 2126 G HA3 -0.120 3.841 3.960 0.001 0.000 0.234 2126 G C 0.225 174.671 174.900 -0.758 0.000 1.284 2126 G CA -0.359 44.207 45.100 -0.889 0.000 0.873 2126 G HN 0.813 nan 8.290 nan 0.000 0.549 2127 Q N 0.861 120.412 119.800 -0.415 0.000 2.439 2127 Q HA -0.066 4.275 4.340 0.001 0.000 0.211 2127 Q C 1.712 177.659 176.000 -0.089 0.000 0.978 2127 Q CA 1.437 57.149 55.803 -0.152 0.000 0.897 2127 Q CB -0.195 28.583 28.738 0.067 0.000 0.956 2127 Q HN 0.843 nan 8.270 nan 0.000 0.483 2128 F N -2.694 117.280 119.950 0.039 0.000 2.749 2128 F HA 0.328 4.855 4.527 0.001 0.000 0.300 2128 F C 0.322 176.114 175.800 -0.014 0.000 1.103 2128 F CA -0.819 57.194 58.000 0.021 0.000 1.342 2128 F CB -0.053 38.967 39.000 0.033 0.000 1.098 2128 F HN -0.113 nan 8.300 nan 0.000 0.586 2129 L N 1.860 122.898 121.223 -0.308 0.000 2.350 2129 L HA 0.697 5.037 4.340 0.001 0.000 0.275 2129 L C 0.248 176.983 176.870 -0.226 0.000 1.099 2129 L CA -0.923 53.804 54.840 -0.188 0.000 0.808 2129 L CB 1.033 42.901 42.059 -0.320 0.000 1.149 2129 L HN 0.222 nan 8.230 nan 0.000 0.442 2130 A N 5.552 128.213 122.820 -0.264 0.000 2.302 2130 A HA 0.579 4.899 4.320 0.001 0.000 0.285 2130 A C -1.883 175.280 177.584 -0.701 0.000 1.105 2130 A CA -1.192 50.490 52.037 -0.591 0.000 0.816 2130 A CB 0.071 18.645 19.000 -0.711 0.000 1.067 2130 A HN 0.735 nan 8.150 nan 0.000 0.489 2131 P HA -0.185 nan 4.420 nan 0.000 0.215 2131 P C 0.971 178.212 177.300 -0.098 0.000 1.157 2131 P CA 2.099 64.951 63.100 -0.413 0.000 0.874 2131 P CB -0.160 31.327 31.700 -0.354 0.000 0.790 2132 W N -0.231 121.209 121.300 0.234 0.000 2.421 2132 W HA -0.028 4.633 4.660 0.001 0.000 0.270 2132 W C 0.914 177.508 176.519 0.125 0.000 1.233 2132 W CA 0.689 58.237 57.345 0.338 0.000 1.226 2132 W CB -1.908 27.690 29.460 0.230 0.000 1.121 2132 W HN -0.087 nan 8.180 nan 0.000 0.579 2133 D N 0.779 121.202 120.400 0.039 0.000 2.363 2133 D HA -0.078 4.563 4.640 0.001 0.000 0.226 2133 D C 1.945 178.203 176.300 -0.071 0.000 1.020 2133 D CA 1.649 55.655 54.000 0.010 0.000 0.892 2133 D CB -0.232 40.572 40.800 0.007 0.000 0.900 2133 D HN 0.388 nan 8.370 nan 0.000 0.531 2134 T N -2.238 112.291 114.554 -0.042 0.000 3.088 2134 T HA -0.017 4.334 4.350 0.001 0.000 0.259 2134 T C 1.740 176.247 174.700 -0.321 0.000 1.122 2134 T CA 0.269 62.339 62.100 -0.050 0.000 1.095 2134 T CB 0.316 69.276 68.868 0.154 0.000 0.930 2134 T HN 0.025 nan 8.240 nan 0.000 0.508 2135 K N 1.710 121.643 120.400 -0.778 0.000 2.032 2135 K HA -0.129 4.192 4.320 0.001 0.000 0.209 2135 K C 2.101 178.355 176.600 -0.577 0.000 1.048 2135 K CA 1.775 57.259 56.287 -1.338 0.000 0.927 2135 K CB -0.361 31.160 32.500 -1.631 0.000 0.712 2135 K HN 0.486 nan 8.250 nan 0.000 0.441 2136 N N -0.219 118.271 118.700 -0.350 0.000 2.381 2136 N HA -0.115 4.626 4.740 0.001 0.000 0.182 2136 N C 1.585 177.015 175.510 -0.133 0.000 1.025 2136 N CA 0.625 53.558 53.050 -0.195 0.000 0.888 2136 N CB 0.198 38.610 38.487 -0.126 0.000 0.965 2136 N HN -0.001 nan 8.380 nan 0.000 0.438 2137 V N 0.557 120.393 119.914 -0.130 0.000 2.307 2137 V HA -0.170 3.951 4.120 0.001 0.000 0.245 2137 V C 2.248 178.312 176.094 -0.051 0.000 1.045 2137 V CA 1.237 63.499 62.300 -0.064 0.000 1.024 2137 V CB -0.365 31.431 31.823 -0.045 0.000 0.651 2137 V HN 0.110 nan 8.190 nan 0.000 0.449 2138 V N 0.147 120.013 119.914 -0.081 0.000 2.343 2138 V HA -0.304 3.817 4.120 0.001 0.000 0.247 2138 V C 2.470 178.550 176.094 -0.024 0.000 1.051 2138 V CA 2.355 64.634 62.300 -0.035 0.000 1.036 2138 V CB -0.656 31.155 31.823 -0.020 0.000 0.654 2138 V HN 0.689 nan 8.190 nan 0.000 0.451 2139 E N 0.223 120.385 120.200 -0.062 0.000 2.118 2139 E HA -0.270 4.081 4.350 0.001 0.000 0.195 2139 E C 2.249 178.871 176.600 0.036 0.000 0.992 2139 E CA 1.397 57.784 56.400 -0.023 0.000 0.804 2139 E CB -0.032 29.626 29.700 -0.070 0.000 0.741 2139 E HN 0.585 nan 8.360 nan 0.000 0.458 2140 K N 0.138 120.549 120.400 0.018 0.000 2.026 2140 K HA -0.120 4.201 4.320 0.001 0.000 0.208 2140 K C 2.311 178.993 176.600 0.137 0.000 1.048 2140 K CA 1.292 57.621 56.287 0.070 0.000 0.929 2140 K CB -0.124 32.395 32.500 0.031 0.000 0.713 2140 K HN 0.200 nan 8.250 nan 0.000 0.439 2141 L N 1.135 122.403 121.223 0.075 0.000 2.046 2141 L HA -0.208 4.133 4.340 0.001 0.000 0.208 2141 L C 2.338 179.244 176.870 0.060 0.000 1.077 2141 L CA 1.363 56.240 54.840 0.061 0.000 0.747 2141 L CB -0.336 41.742 42.059 0.031 0.000 0.896 2141 L HN 0.148 nan 8.230 nan 0.000 0.432 2142 K N -0.436 120.003 120.400 0.065 0.000 2.057 2142 K HA -0.217 4.104 4.320 0.001 0.000 0.207 2142 K C 2.095 178.738 176.600 0.072 0.000 1.049 2142 K CA 1.586 57.905 56.287 0.054 0.000 0.931 2142 K CB -0.350 32.182 32.500 0.055 0.000 0.714 2142 K HN 0.117 nan 8.250 nan 0.000 0.440 2143 F N 1.437 121.380 119.950 -0.011 0.000 2.202 2143 F HA -0.107 4.421 4.527 0.001 0.000 0.301 2143 F C 1.788 177.585 175.800 -0.004 0.000 1.082 2143 F CA 1.580 59.575 58.000 -0.008 0.000 1.313 2143 F CB -0.381 38.613 39.000 -0.010 0.000 1.024 2143 F HN -0.031 nan 8.300 nan 0.000 0.495 2144 G N -1.052 107.724 108.800 -0.040 0.000 2.920 2144 G HA2 0.281 4.241 3.960 0.001 0.000 0.208 2144 G HA3 0.281 4.241 3.960 0.001 0.000 0.208 2144 G C 1.338 176.163 174.900 -0.125 0.000 1.159 2144 G CA 0.329 45.359 45.100 -0.117 0.000 0.784 2144 G HN 1.005 nan 8.290 nan 0.000 0.535 2145 G N -1.526 107.206 108.800 -0.113 0.000 2.176 2145 G HA2 0.126 4.086 3.960 0.001 0.000 0.232 2145 G HA3 0.126 4.086 3.960 0.001 0.000 0.232 2145 G C 0.477 175.353 174.900 -0.040 0.000 0.986 2145 G CA 0.148 45.198 45.100 -0.082 0.000 0.643 2145 G HN 1.293 nan 8.290 nan 0.000 0.522 2146 A N -0.133 122.673 122.820 -0.023 0.000 2.354 2146 A HA 0.755 5.076 4.320 0.001 0.000 0.269 2146 A C 1.097 178.672 177.584 -0.015 0.000 1.109 2146 A CA 0.777 52.807 52.037 -0.011 0.000 0.800 2146 A CB 0.529 19.529 19.000 0.000 0.000 1.045 2146 A HN 0.313 nan 8.150 nan 0.000 0.489 2147 K N 0.642 121.029 120.400 -0.020 0.000 2.462 2147 K HA 0.113 4.433 4.320 0.001 0.000 0.201 2147 K C 0.093 176.657 176.600 -0.060 0.000 1.268 2147 K CA 0.176 56.445 56.287 -0.029 0.000 0.933 2147 K CB 0.734 33.222 32.500 -0.020 0.000 1.162 2147 K HN 0.800 nan 8.250 nan 0.000 0.527 2148 E N 2.153 122.312 120.200 -0.069 0.000 2.035 2148 E HA 0.285 4.636 4.350 0.001 0.000 0.271 2148 E C -1.196 175.271 176.600 -0.221 0.000 0.953 2148 E CA -0.220 56.087 56.400 -0.155 0.000 0.777 2148 E CB 0.439 30.103 29.700 -0.060 0.000 1.104 2148 E HN 0.092 nan 8.360 nan 0.000 0.408 2149 I N 4.475 124.843 120.570 -0.337 0.000 2.465 2149 I HA 0.327 4.498 4.170 0.001 0.000 0.291 2149 I C -1.031 174.837 176.117 -0.415 0.000 1.014 2149 I CA -0.859 60.290 61.300 -0.250 0.000 1.093 2149 I CB 1.156 39.101 38.000 -0.091 0.000 1.267 2149 I HN 0.457 nan 8.210 nan 0.000 0.431 2150 Y N 5.662 125.966 120.300 0.006 0.000 2.485 2150 Y HA 0.668 5.219 4.550 0.001 0.000 0.345 2150 Y C -0.452 175.440 175.900 -0.013 0.000 0.998 2150 Y CA -0.851 57.245 58.100 -0.007 0.000 1.059 2150 Y CB 1.845 40.290 38.460 -0.024 0.000 1.234 2150 Y HN 0.267 nan 8.280 nan 0.000 0.461 2151 L N 2.553 123.862 121.223 0.142 0.000 2.341 2151 L HA 0.597 4.938 4.340 0.001 0.000 0.278 2151 L C -0.666 176.212 176.870 0.013 0.000 1.005 2151 L CA -0.577 54.300 54.840 0.060 0.000 0.818 2151 L CB 2.151 44.256 42.059 0.077 0.000 1.259 2151 L HN 0.647 nan 8.230 nan 0.000 0.418 2152 T N 1.197 115.710 114.554 -0.068 0.000 2.779 2152 T HA 0.231 4.581 4.350 0.001 0.000 0.280 2152 T C -0.394 174.198 174.700 -0.181 0.000 0.987 2152 T CA -0.448 61.568 62.100 -0.140 0.000 0.966 2152 T CB 1.623 70.338 68.868 -0.255 0.000 0.933 2152 T HN 0.397 nan 8.240 nan 0.000 0.442 2153 E N 2.575 122.689 120.200 -0.144 0.000 2.223 2153 E HA 0.278 4.629 4.350 0.001 0.000 0.282 2153 E C 0.510 176.953 176.600 -0.262 0.000 1.046 2153 E CA -0.486 55.822 56.400 -0.153 0.000 0.857 2153 E CB 0.442 30.121 29.700 -0.034 0.000 1.055 2153 E HN 0.633 nan 8.360 nan 0.000 0.409 2154 R N 2.947 123.287 120.500 -0.266 0.000 2.569 2154 R HA 0.493 4.834 4.340 0.001 0.000 0.422 2154 R C 0.210 176.393 176.300 -0.195 0.000 0.980 2154 R CA -0.187 55.742 56.100 -0.284 0.000 1.164 2154 R CB 0.117 30.213 30.300 -0.340 0.000 1.520 2154 R HN 0.627 nan 8.270 nan 0.000 0.567 2155 G N -0.017 108.675 108.800 -0.180 0.000 2.662 2155 G HA2 -0.029 3.932 3.960 0.001 0.000 0.686 2155 G HA3 -0.029 3.932 3.960 0.001 0.000 0.686 2155 G C -0.883 173.942 174.900 -0.125 0.000 1.271 2155 G CA -0.456 44.560 45.100 -0.140 0.000 0.816 2155 G HN 0.161 nan 8.290 nan 0.000 0.608 2156 T N 0.818 115.320 114.554 -0.087 0.000 2.893 2156 T HA 0.652 5.002 4.350 0.001 0.000 0.291 2156 T C 0.420 175.147 174.700 0.045 0.000 1.028 2156 T CA -0.028 62.043 62.100 -0.048 0.000 0.995 2156 T CB 1.688 70.514 68.868 -0.069 0.000 1.051 2156 T HN 0.879 nan 8.240 nan 0.000 0.470 2157 T N 2.978 117.579 114.554 0.079 0.000 2.831 2157 T HA 0.139 4.490 4.350 0.001 0.000 0.291 2157 T C -0.690 174.119 174.700 0.182 0.000 0.981 2157 T CA 0.508 62.686 62.100 0.130 0.000 1.174 2157 T CB -0.481 68.465 68.868 0.130 0.000 0.929 2157 T HN 0.417 nan 8.240 nan 0.000 0.532 2158 F N 4.095 124.041 119.950 -0.006 0.000 2.564 2158 F HA 0.523 5.051 4.527 0.001 0.000 0.361 2158 F C 0.753 176.524 175.800 -0.048 0.000 1.161 2158 F CA 0.098 58.080 58.000 -0.030 0.000 1.198 2158 F CB -0.191 38.792 39.000 -0.028 0.000 1.424 2158 F HN 0.918 nan 8.300 nan 0.000 0.517 2159 G N 2.570 111.154 108.800 -0.360 0.000 2.553 2159 G HA2 -0.282 3.678 3.960 0.001 0.000 0.242 2159 G HA3 -0.282 3.678 3.960 0.001 0.000 0.242 2159 G C -1.350 173.408 174.900 -0.237 0.000 1.277 2159 G CA -0.383 44.445 45.100 -0.454 0.000 0.910 2159 G HN 0.444 nan 8.290 nan 0.000 0.576 2160 Y N 1.673 121.944 120.300 -0.049 0.000 2.334 2160 Y HA 0.495 5.045 4.550 0.001 0.000 0.328 2160 Y C 1.444 177.357 175.900 0.022 0.000 1.130 2160 Y CA -0.635 57.462 58.100 -0.006 0.000 1.163 2160 Y CB 1.014 39.467 38.460 -0.011 0.000 1.207 2160 Y HN 0.644 nan 8.280 nan 0.000 0.471 2161 N N 1.799 120.632 118.700 0.221 0.000 2.710 2161 N HA -0.329 4.412 4.740 0.001 0.000 0.249 2161 N C -0.762 174.828 175.510 0.134 0.000 1.059 2161 N CA 1.029 54.167 53.050 0.146 0.000 0.720 2161 N CB -1.030 37.526 38.487 0.115 0.000 0.983 2161 N HN 0.864 nan 8.380 nan 0.000 0.544 2162 N N -0.204 118.584 118.700 0.147 0.000 2.371 2162 N HA 0.465 5.206 4.740 0.001 0.000 0.280 2162 N C -1.443 174.171 175.510 0.173 0.000 1.084 2162 N CA -0.488 52.655 53.050 0.156 0.000 0.892 2162 N CB 1.525 40.129 38.487 0.194 0.000 1.653 2162 N HN -0.022 nan 8.380 nan 0.000 0.480 2163 L N 2.347 123.643 121.223 0.122 0.000 2.362 2163 L HA 0.667 5.008 4.340 0.001 0.000 0.271 2163 L C -0.538 176.329 176.870 -0.004 0.000 1.002 2163 L CA -0.976 53.911 54.840 0.078 0.000 0.818 2163 L CB 2.044 44.123 42.059 0.034 0.000 1.298 2163 L HN 0.257 nan 8.230 nan 0.000 0.420 2164 V N 3.265 123.134 119.914 -0.075 0.000 2.769 2164 V HA 0.543 4.664 4.120 0.001 0.000 0.312 2164 V C -0.656 175.321 176.094 -0.195 0.000 1.061 2164 V CA -0.512 61.647 62.300 -0.235 0.000 0.931 2164 V CB 2.584 34.077 31.823 -0.550 0.000 1.010 2164 V HN 0.411 nan 8.190 nan 0.000 0.433 2165 V N 4.927 124.711 119.914 -0.217 0.000 2.350 2165 V HA 0.374 4.495 4.120 0.001 0.000 0.276 2165 V C -0.340 175.547 176.094 -0.344 0.000 1.028 2165 V CA -0.470 61.634 62.300 -0.327 0.000 0.860 2165 V CB 1.383 32.916 31.823 -0.484 0.000 0.990 2165 V HN 0.903 nan 8.190 nan 0.000 0.453 2166 D N 4.044 124.271 120.400 -0.289 0.000 2.456 2166 D HA 0.262 4.903 4.640 0.001 0.000 0.219 2166 D C 0.671 176.866 176.300 -0.175 0.000 1.126 2166 D CA -0.428 53.477 54.000 -0.159 0.000 0.890 2166 D CB 0.556 41.287 40.800 -0.115 0.000 1.025 2166 D HN 0.400 nan 8.370 nan 0.000 0.511 2167 F N 1.849 121.764 119.950 -0.058 0.000 2.664 2167 F HA -0.004 4.523 4.527 0.001 0.000 0.297 2167 F C 2.201 177.972 175.800 -0.049 0.000 1.164 2167 F CA 0.430 58.393 58.000 -0.062 0.000 1.472 2167 F CB 0.024 38.974 39.000 -0.084 0.000 1.108 2167 F HN 0.273 nan 8.300 nan 0.000 0.596 2168 R N -0.344 120.210 120.500 0.090 0.000 2.189 2168 R HA -0.110 4.231 4.340 0.001 0.000 0.218 2168 R C 2.470 178.786 176.300 0.027 0.000 1.074 2168 R CA 1.240 57.381 56.100 0.067 0.000 0.991 2168 R CB -0.457 29.892 30.300 0.080 0.000 0.883 2168 R HN 0.346 nan 8.270 nan 0.000 0.457 2169 S N 0.651 116.334 115.700 -0.028 0.000 2.402 2169 S HA -0.105 4.366 4.470 0.001 0.000 0.229 2169 S C 1.866 176.433 174.600 -0.055 0.000 1.021 2169 S CA 0.701 58.860 58.200 -0.068 0.000 0.974 2169 S CB -0.163 62.960 63.200 -0.128 0.000 0.800 2169 S HN 0.051 nan 8.310 nan 0.000 0.484 2170 L N 2.823 124.029 121.223 -0.028 0.000 1.970 2170 L HA 0.019 4.360 4.340 0.001 0.000 0.212 2170 L C -0.317 176.508 176.870 -0.074 0.000 1.071 2170 L CA 2.016 56.838 54.840 -0.030 0.000 0.751 2170 L CB -1.647 40.422 42.059 0.016 0.000 0.889 2170 L HN 0.275 nan 8.230 nan 0.000 0.432 2171 P HA -0.146 nan 4.420 nan 0.000 0.217 2171 P C 2.088 179.295 177.300 -0.155 0.000 1.150 2171 P CA 1.567 64.611 63.100 -0.093 0.000 0.832 2171 P CB 0.097 31.769 31.700 -0.047 0.000 0.787 2172 I N -0.531 119.964 120.570 -0.125 0.000 2.142 2172 I HA -0.223 3.948 4.170 0.001 0.000 0.240 2172 I C 2.753 178.587 176.117 -0.471 0.000 1.078 2172 I CA 1.649 62.839 61.300 -0.184 0.000 1.343 2172 I CB -0.634 37.381 38.000 0.024 0.000 1.046 2172 I HN -0.152 nan 8.210 nan 0.000 0.405 2173 M N 0.116 119.536 119.600 -0.300 0.000 2.279 2173 M HA -0.183 4.298 4.480 0.001 0.000 0.264 2173 M C 2.115 178.102 176.300 -0.522 0.000 1.062 2173 M CA 1.242 56.340 55.300 -0.337 0.000 1.099 2173 M CB -0.391 32.185 32.600 -0.040 0.000 1.394 2173 M HN 0.017 nan 8.290 nan 0.000 0.426 2174 K N 1.116 121.291 120.400 -0.375 0.000 2.362 2174 K HA -0.129 4.192 4.320 0.001 0.000 0.200 2174 K C 1.616 178.007 176.600 -0.347 0.000 1.046 2174 K CA 1.331 57.454 56.287 -0.273 0.000 0.952 2174 K CB -0.125 32.267 32.500 -0.179 0.000 0.753 2174 K HN 0.438 nan 8.250 nan 0.000 0.466 2175 Q N -1.177 118.245 119.800 -0.631 0.000 2.291 2175 Q HA -0.118 4.223 4.340 0.001 0.000 0.205 2175 Q C 0.565 176.424 176.000 -0.236 0.000 0.970 2175 Q CA 1.573 57.070 55.803 -0.509 0.000 0.876 2175 Q CB -0.067 28.220 28.738 -0.751 0.000 0.935 2175 Q HN 0.643 nan 8.270 nan 0.000 0.455 2176 W N -2.066 119.239 121.300 0.008 0.000 2.324 2176 W HA 0.714 5.374 4.660 0.001 0.000 0.316 2176 W C -0.149 176.357 176.519 -0.022 0.000 0.927 2176 W CA -0.268 57.076 57.345 -0.001 0.000 1.438 2176 W CB 0.354 29.819 29.460 0.009 0.000 1.085 2176 W HN -0.086 nan 8.180 nan 0.000 0.532 2177 A N 0.701 123.587 122.820 0.110 0.000 2.583 2177 A HA 0.523 4.843 4.320 0.001 0.000 0.292 2177 A C -0.884 176.693 177.584 -0.011 0.000 1.045 2177 A CA -1.242 50.829 52.037 0.057 0.000 0.672 2177 A CB 0.842 19.918 19.000 0.126 0.000 1.283 2177 A HN 0.036 nan 8.150 nan 0.000 0.419 2178 K N 0.353 120.722 120.400 -0.051 0.000 2.355 2178 K HA 0.455 4.775 4.320 0.001 0.000 0.270 2178 K C -0.694 175.958 176.600 0.086 0.000 1.003 2178 K CA -0.120 56.172 56.287 0.010 0.000 0.957 2178 K CB 0.926 33.435 32.500 0.016 0.000 0.939 2178 K HN 0.375 nan 8.250 nan 0.000 0.482 2179 V N 4.629 124.585 119.914 0.070 0.000 2.448 2179 V HA 0.328 4.449 4.120 0.001 0.000 0.295 2179 V C -0.159 175.971 176.094 0.060 0.000 1.025 2179 V CA -0.877 61.457 62.300 0.058 0.000 0.859 2179 V CB 1.320 33.148 31.823 0.009 0.000 0.988 2179 V HN 0.570 nan 8.190 nan 0.000 0.431 2180 I N 4.180 124.777 120.570 0.046 0.000 2.562 2180 I HA 0.408 4.578 4.170 0.001 0.000 0.301 2180 I C -0.799 175.351 176.117 0.055 0.000 1.003 2180 I CA -0.828 60.480 61.300 0.014 0.000 1.127 2180 I CB 1.819 39.788 38.000 -0.052 0.000 1.304 2180 I HN 0.682 nan 8.210 nan 0.000 0.446 2181 Y N 4.427 124.720 120.300 -0.011 0.000 2.331 2181 Y HA 0.322 4.873 4.550 0.001 0.000 0.338 2181 Y C -0.109 175.813 175.900 0.037 0.000 0.976 2181 Y CA -0.769 57.334 58.100 0.005 0.000 1.137 2181 Y CB 0.902 39.410 38.460 0.081 0.000 1.172 2181 Y HN 0.494 nan 8.280 nan 0.000 0.478 2182 D N 5.144 125.098 120.400 -0.743 0.000 2.393 2182 D HA 0.245 4.885 4.640 0.001 0.000 0.232 2182 D C 0.520 176.327 176.300 -0.822 0.000 1.192 2182 D CA 0.339 53.999 54.000 -0.567 0.000 0.882 2182 D CB 1.371 41.813 40.800 -0.597 0.000 1.038 2182 D HN 0.817 nan 8.370 nan 0.000 0.499 2183 A N 2.850 125.421 122.820 -0.416 0.000 2.067 2183 A HA -0.080 4.240 4.320 0.001 0.000 0.217 2183 A C 1.886 179.492 177.584 0.036 0.000 1.156 2183 A CA 1.519 53.490 52.037 -0.110 0.000 0.683 2183 A CB -0.174 18.971 19.000 0.242 0.000 0.808 2183 A HN 0.607 nan 8.150 nan 0.000 0.455 2184 T N -4.882 109.712 114.554 0.067 0.000 3.040 2184 T HA 0.077 4.428 4.350 0.001 0.000 0.252 2184 T C 1.451 176.120 174.700 -0.052 0.000 1.064 2184 T CA 1.094 63.224 62.100 0.049 0.000 1.110 2184 T CB -0.370 68.539 68.868 0.069 0.000 0.921 2184 T HN 0.487 nan 8.240 nan 0.000 0.480 2185 H N 0.633 119.658 119.070 -0.075 0.000 2.592 2185 H HA 0.458 5.015 4.556 0.001 0.000 0.265 2185 H C 2.179 177.440 175.328 -0.113 0.000 0.955 2185 H CA 0.501 56.488 56.048 -0.102 0.000 1.175 2185 H CB 0.339 29.994 29.762 -0.178 0.000 1.433 2185 H HN 0.290 nan 8.280 nan 0.000 0.537 2186 S N 0.263 115.940 115.700 -0.038 0.000 2.489 2186 S HA -0.012 4.459 4.470 0.001 0.000 0.228 2186 S C 1.048 175.659 174.600 0.018 0.000 0.995 2186 S CA 0.470 58.640 58.200 -0.050 0.000 0.934 2186 S CB -0.088 63.052 63.200 -0.100 0.000 0.771 2186 S HN 0.285 nan 8.310 nan 0.000 0.522 2202 E N 0.225 120.295 120.200 -0.216 0.000 2.333 2202 E HA -0.118 4.233 4.350 0.001 0.000 0.198 2202 E C 0.322 176.700 176.600 -0.369 0.000 1.007 2202 E CA 1.099 57.286 56.400 -0.355 0.000 0.845 2202 E CB -0.054 29.289 29.700 -0.595 0.000 0.766 2202 E HN 0.346 nan 8.360 nan 0.000 0.507 2203 F N 0.552 120.553 119.950 0.085 0.000 2.695 2203 F HA 0.338 4.865 4.527 0.001 0.000 0.303 2203 F C 1.724 177.611 175.800 0.145 0.000 1.091 2203 F CA -0.512 57.547 58.000 0.098 0.000 1.300 2203 F CB -0.004 39.046 39.000 0.083 0.000 1.071 2203 F HN -0.051 nan 8.300 nan 0.000 0.578 2204 I N -0.439 120.290 120.570 0.265 0.000 2.113 2204 I HA -0.353 3.817 4.170 0.001 0.000 0.238 2204 I C 2.535 178.860 176.117 0.348 0.000 1.070 2204 I CA 1.851 63.312 61.300 0.269 0.000 1.332 2204 I CB -0.516 37.587 38.000 0.171 0.000 1.044 2204 I HN 0.146 nan 8.210 nan 0.000 0.402 2205 F N 2.074 122.093 119.950 0.115 0.000 2.102 2205 F HA -0.148 4.379 4.527 0.001 0.000 0.298 2205 F C -0.368 175.487 175.800 0.091 0.000 1.105 2205 F CA 1.141 59.196 58.000 0.092 0.000 1.239 2205 F CB -1.014 38.016 39.000 0.050 0.000 0.991 2205 F HN 0.016 nan 8.300 nan 0.000 0.474 2206 P HA -0.210 nan 4.420 nan 0.000 0.216 2206 P C 1.715 179.052 177.300 0.062 0.000 1.153 2206 P CA 1.612 64.723 63.100 0.019 0.000 0.858 2206 P CB -0.090 31.674 31.700 0.105 0.000 0.789 2207 L N -1.619 119.722 121.223 0.196 0.000 2.240 2207 L HA -0.057 4.283 4.340 0.001 0.000 0.211 2207 L C 2.408 179.355 176.870 0.127 0.000 1.106 2207 L CA 0.886 55.857 54.840 0.218 0.000 0.793 2207 L CB -0.591 41.711 42.059 0.404 0.000 0.927 2207 L HN -0.036 nan 8.230 nan 0.000 0.446 2208 I N -0.112 120.611 120.570 0.255 0.000 2.394 2208 I HA -0.251 3.920 4.170 0.001 0.000 0.251 2208 I C 2.756 178.930 176.117 0.095 0.000 1.136 2208 I CA 1.014 62.459 61.300 0.241 0.000 1.425 2208 I CB -0.024 38.210 38.000 0.390 0.000 1.079 2208 I HN 0.218 nan 8.210 nan 0.000 0.425 2209 R N 0.561 121.103 120.500 0.069 0.000 2.075 2209 R HA -0.108 4.232 4.340 0.001 0.000 0.232 2209 R C 2.357 178.571 176.300 -0.143 0.000 1.126 2209 R CA 1.391 57.471 56.100 -0.034 0.000 0.963 2209 R CB -0.504 29.714 30.300 -0.138 0.000 0.858 2209 R HN 0.400 nan 8.270 nan 0.000 0.435 2210 A N 1.489 124.154 122.820 -0.260 0.000 1.933 2210 A HA -0.112 4.208 4.320 0.001 0.000 0.218 2210 A C 2.402 179.665 177.584 -0.535 0.000 1.175 2210 A CA 1.671 53.398 52.037 -0.517 0.000 0.628 2210 A CB -0.569 17.886 19.000 -0.907 0.000 0.814 2210 A HN 0.390 nan 8.150 nan 0.000 0.444 2211 A N -0.030 122.568 122.820 -0.370 0.000 1.908 2211 A HA -0.051 4.270 4.320 0.001 0.000 0.218 2211 A C 2.300 179.846 177.584 -0.063 0.000 1.181 2211 A CA 2.346 54.286 52.037 -0.161 0.000 0.627 2211 A CB -1.219 17.531 19.000 -0.417 0.000 0.818 2211 A HN 1.171 nan 8.150 nan 0.000 0.445 2212 V N -2.961 116.938 119.914 -0.025 0.000 2.871 2212 V HA 0.153 4.273 4.120 0.001 0.000 0.256 2212 V C 2.397 178.548 176.094 0.095 0.000 1.082 2212 V CA 1.461 63.788 62.300 0.044 0.000 1.105 2212 V CB -1.145 30.686 31.823 0.014 0.000 0.713 2212 V HN 0.486 nan 8.190 nan 0.000 0.473 2213 A N 0.515 123.338 122.820 0.006 0.000 1.929 2213 A HA 0.001 4.322 4.320 0.001 0.000 0.216 2213 A C 2.312 179.960 177.584 0.107 0.000 1.176 2213 A CA 1.955 54.017 52.037 0.041 0.000 0.628 2213 A CB -0.615 18.335 19.000 -0.083 0.000 0.816 2213 A HN 0.429 nan 8.150 nan 0.000 0.444 2214 V N -0.946 118.953 119.914 -0.025 0.000 2.346 2214 V HA 0.304 4.425 4.120 0.001 0.000 0.244 2214 V C 1.304 177.310 176.094 -0.147 0.000 1.037 2214 V CA 1.334 63.613 62.300 -0.035 0.000 1.029 2214 V CB -1.091 30.698 31.823 -0.056 0.000 0.663 2214 V HN 1.214 nan 8.190 nan 0.000 0.454 2215 G N -0.269 108.352 108.800 -0.299 0.000 3.313 2215 G HA2 0.142 4.103 3.960 0.001 0.000 0.659 2215 G HA3 0.142 4.103 3.960 0.001 0.000 0.659 2215 G C -0.807 173.887 174.900 -0.344 0.000 1.286 2215 G CA -0.651 43.963 45.100 -0.810 0.000 1.077 2215 G HN 1.054 nan 8.290 nan 0.000 0.551 2216 C N 0.400 119.599 119.300 -0.168 0.000 3.288 2216 C HA 0.843 5.304 4.460 0.001 0.000 0.318 2216 C C 0.450 175.515 174.990 0.125 0.000 1.356 2216 C CA -0.628 58.398 59.018 0.014 0.000 1.359 2216 C CB 1.911 29.719 27.740 0.112 0.000 1.688 2216 C HN 0.649 nan 8.230 nan 0.000 0.467 2217 D N 0.473 120.912 120.400 0.064 0.000 2.339 2217 D HA 0.401 5.042 4.640 0.001 0.000 0.217 2217 D C 0.804 176.924 176.300 -0.300 0.000 1.050 2217 D CA 1.394 55.413 54.000 0.030 0.000 0.856 2217 D CB 0.871 41.706 40.800 0.058 0.000 0.922 2217 D HN 1.143 nan 8.370 nan 0.000 0.518 2218 G N -0.516 108.036 108.800 -0.414 0.000 2.338 2218 G HA2 0.362 4.323 3.960 0.001 0.000 0.295 2218 G HA3 0.362 4.323 3.960 0.001 0.000 0.295 2218 G C -1.745 172.955 174.900 -0.333 0.000 1.461 2218 G CA -0.609 43.924 45.100 -0.945 0.000 0.817 2218 G HN -0.052 nan 8.290 nan 0.000 0.556 2219 V N 0.131 119.876 119.914 -0.281 0.000 2.864 2219 V HA 0.778 4.899 4.120 0.001 0.000 0.314 2219 V C -1.193 174.908 176.094 0.012 0.000 1.073 2219 V CA -0.732 61.602 62.300 0.057 0.000 0.956 2219 V CB 1.977 33.938 31.823 0.229 0.000 1.023 2219 V HN 0.831 nan 8.190 nan 0.000 0.435 2220 F N 4.680 124.566 119.950 -0.107 0.000 2.477 2220 F HA 0.806 5.334 4.527 0.001 0.000 0.335 2220 F C -0.509 175.231 175.800 -0.100 0.000 1.130 2220 F CA -0.715 57.199 58.000 -0.142 0.000 0.948 2220 F CB 1.422 40.310 39.000 -0.186 0.000 1.154 2220 F HN 0.377 nan 8.300 nan 0.000 0.439 2221 M N 5.686 125.109 119.600 -0.295 0.000 2.267 2221 M HA 0.321 4.802 4.480 0.001 0.000 0.289 2221 M C -1.096 175.042 176.300 -0.270 0.000 1.043 2221 M CA -0.576 54.638 55.300 -0.143 0.000 0.928 2221 M CB 2.535 35.090 32.600 -0.076 0.000 1.613 2221 M HN 0.479 nan 8.290 nan 0.000 0.450 2222 E N 1.885 122.031 120.200 -0.090 0.000 2.200 2222 E HA 0.358 4.709 4.350 0.001 0.000 0.283 2222 E C -0.614 175.957 176.600 -0.048 0.000 1.015 2222 E CA -0.194 56.159 56.400 -0.078 0.000 0.819 2222 E CB 1.965 31.706 29.700 0.069 0.000 1.081 2222 E HN 0.474 nan 8.360 nan 0.000 0.397 2223 T N 2.354 116.871 114.554 -0.061 0.000 2.907 2223 T HA 0.288 4.639 4.350 0.001 0.000 0.292 2223 T C -1.518 173.219 174.700 0.062 0.000 1.043 2223 T CA -0.603 61.491 62.100 -0.011 0.000 1.003 2223 T CB 1.283 70.125 68.868 -0.043 0.000 1.084 2223 T HN 0.480 nan 8.240 nan 0.000 0.483 2224 H N 3.252 122.303 119.070 -0.033 0.000 3.029 2224 H HA 0.318 4.875 4.556 0.001 0.000 0.358 2224 H C -2.584 172.738 175.328 -0.011 0.000 1.129 2224 H CA -1.461 54.578 56.048 -0.015 0.000 1.230 2224 H CB 2.504 32.258 29.762 -0.012 0.000 1.827 2224 H HN 0.325 nan 8.280 nan 0.000 0.530 2225 P HA -0.151 nan 4.420 nan 0.000 0.215 2225 P C -0.620 176.758 177.300 0.130 0.000 1.163 2225 P CA 1.731 64.800 63.100 -0.050 0.000 0.894 2225 P CB 0.344 31.940 31.700 -0.173 0.000 0.791 2226 E N -2.454 117.966 120.200 0.366 0.000 2.873 2226 E HA 0.164 4.515 4.350 0.001 0.000 0.232 2226 E C -2.149 174.549 176.600 0.163 0.000 1.123 2226 E CA -1.633 54.910 56.400 0.239 0.000 0.809 2226 E CB 0.926 30.718 29.700 0.154 0.000 1.366 2226 E HN 0.117 nan 8.360 nan 0.000 0.400 2227 P HA -0.300 nan 4.420 nan 0.000 0.218 2227 P C 1.006 178.199 177.300 -0.178 0.000 1.152 2227 P CA 1.401 64.413 63.100 -0.148 0.000 0.857 2227 P CB 0.109 31.783 31.700 -0.043 0.000 0.787 2228 E N -0.209 119.940 120.200 -0.084 0.000 2.533 2228 E HA -0.117 4.233 4.350 0.001 0.000 0.201 2228 E C 0.964 177.516 176.600 -0.080 0.000 1.097 2228 E CA 0.746 57.104 56.400 -0.070 0.000 0.887 2228 E CB -0.464 29.216 29.700 -0.033 0.000 0.855 2228 E HN 0.282 nan 8.360 nan 0.000 0.540 2229 K N -0.137 120.188 120.400 -0.125 0.000 2.521 2229 K HA 0.275 4.595 4.320 0.001 0.000 0.213 2229 K C 0.108 176.597 176.600 -0.185 0.000 1.223 2229 K CA 0.113 56.342 56.287 -0.098 0.000 1.013 2229 K CB 1.268 33.763 32.500 -0.008 0.000 1.017 2229 K HN 0.110 nan 8.250 nan 0.000 0.591 2230 A N 1.592 124.157 122.820 -0.425 0.000 2.477 2230 A HA 0.153 4.473 4.320 0.001 0.000 0.246 2230 A C 0.670 178.106 177.584 -0.247 0.000 1.078 2230 A CA -0.078 51.649 52.037 -0.516 0.000 0.770 2230 A CB -0.073 18.429 19.000 -0.830 0.000 1.011 2230 A HN 0.301 nan 8.150 nan 0.000 0.494 2231 L N 2.074 123.161 121.223 -0.226 0.000 2.777 2231 L HA 0.215 4.556 4.340 0.001 0.000 0.244 2231 L C 0.709 177.541 176.870 -0.064 0.000 1.235 2231 L CA 0.396 55.079 54.840 -0.262 0.000 1.062 2231 L CB -1.106 40.507 42.059 -0.742 0.000 1.340 2231 L HN 0.666 nan 8.230 nan 0.000 0.439 2232 S N -0.454 115.227 115.700 -0.031 0.000 2.678 2232 S HA 0.119 4.590 4.470 0.001 0.000 0.290 2232 S C -1.072 173.521 174.600 -0.011 0.000 1.047 2232 S CA -0.842 57.387 58.200 0.047 0.000 0.851 2232 S CB 0.817 64.105 63.200 0.147 0.000 1.058 2232 S HN 0.398 nan 8.310 nan 0.000 0.451 2233 D N 1.646 122.041 120.400 -0.009 0.000 2.720 2233 D HA -0.193 4.447 4.640 0.001 0.000 0.229 2233 D C 1.033 177.289 176.300 -0.073 0.000 1.198 2233 D CA 1.028 54.996 54.000 -0.052 0.000 0.639 2233 D CB -1.119 39.633 40.800 -0.081 0.000 1.003 2233 D HN 0.779 nan 8.370 nan 0.000 0.411 2234 A N -0.351 122.424 122.820 -0.075 0.000 2.119 2234 A HA -0.019 4.301 4.320 0.001 0.000 0.217 2234 A C 2.139 179.682 177.584 -0.069 0.000 1.153 2234 A CA 0.983 52.961 52.037 -0.098 0.000 0.692 2234 A CB 0.299 19.241 19.000 -0.095 0.000 0.799 2234 A HN 0.264 nan 8.150 nan 0.000 0.458 2235 S N -0.978 114.691 115.700 -0.051 0.000 2.556 2235 S HA 0.039 4.510 4.470 0.001 0.000 0.216 2235 S C 1.488 176.067 174.600 -0.035 0.000 0.970 2235 S CA 0.923 59.102 58.200 -0.035 0.000 0.912 2235 S CB 0.127 63.315 63.200 -0.019 0.000 0.790 2235 S HN 0.874 nan 8.310 nan 0.000 0.504 2236 T N -1.907 112.615 114.554 -0.053 0.000 3.105 2236 T HA 0.215 4.566 4.350 0.001 0.000 0.257 2236 T C 0.412 175.086 174.700 -0.045 0.000 0.949 2236 T CA -0.298 61.770 62.100 -0.055 0.000 0.959 2236 T CB -0.244 68.559 68.868 -0.109 0.000 1.205 2236 T HN 0.080 nan 8.240 nan 0.000 0.496 2237 Q N 1.555 121.326 119.800 -0.050 0.000 2.269 2237 Q HA 0.226 4.567 4.340 0.001 0.000 0.300 2237 Q C -0.673 175.324 176.000 -0.005 0.000 1.070 2237 Q CA -0.298 55.492 55.803 -0.021 0.000 0.957 2237 Q CB 0.498 29.227 28.738 -0.015 0.000 1.131 2237 Q HN 0.342 nan 8.270 nan 0.000 0.377 2238 L N 6.662 127.885 121.223 0.000 0.000 2.453 2238 L HA 0.156 4.496 4.340 0.001 0.000 0.272 2238 L C -2.270 174.605 176.870 0.009 0.000 1.182 2238 L CA -1.179 53.658 54.840 -0.005 0.000 0.858 2238 L CB 0.531 42.577 42.059 -0.021 0.000 1.120 2238 L HN 0.422 nan 8.230 nan 0.000 0.474 2239 P HA 0.032 nan 4.420 nan 0.000 0.271 2239 P C 0.958 178.261 177.300 0.005 0.000 1.226 2239 P CA -0.053 63.059 63.100 0.020 0.000 0.765 2239 P CB 0.682 32.387 31.700 0.009 0.000 0.835 2240 L N 3.050 124.280 121.223 0.011 0.000 2.034 2240 L HA -0.326 4.015 4.340 0.001 0.000 0.217 2240 L C 2.126 178.988 176.870 -0.012 0.000 1.077 2240 L CA 2.740 57.575 54.840 -0.009 0.000 0.769 2240 L CB -0.752 41.294 42.059 -0.022 0.000 0.890 2240 L HN 0.450 nan 8.230 nan 0.000 0.435 2241 S N -1.337 114.358 115.700 -0.008 0.000 2.419 2241 S HA -0.280 4.190 4.470 0.001 0.000 0.235 2241 S C 1.627 176.220 174.600 -0.012 0.000 1.019 2241 S CA 1.374 59.569 58.200 -0.008 0.000 0.982 2241 S CB -0.380 62.817 63.200 -0.004 0.000 0.789 2241 S HN 0.598 nan 8.310 nan 0.000 0.490 2242 Q N -0.193 119.592 119.800 -0.026 0.000 2.425 2242 Q HA 0.272 4.613 4.340 0.001 0.000 0.204 2242 Q C 1.822 177.776 176.000 -0.077 0.000 0.933 2242 Q CA 0.104 55.874 55.803 -0.055 0.000 0.939 2242 Q CB -0.169 28.526 28.738 -0.072 0.000 1.044 2242 Q HN 0.435 nan 8.270 nan 0.000 0.513 2243 L N 1.608 122.804 121.223 -0.045 0.000 1.989 2243 L HA -0.241 4.100 4.340 0.001 0.000 0.211 2243 L C 2.212 179.071 176.870 -0.019 0.000 1.071 2243 L CA 2.017 56.834 54.840 -0.038 0.000 0.749 2243 L CB -0.518 41.539 42.059 -0.002 0.000 0.890 2243 L HN 0.235 nan 8.230 nan 0.000 0.431 2244 E N -1.013 119.212 120.200 0.041 0.000 2.049 2244 E HA -0.239 4.112 4.350 0.001 0.000 0.198 2244 E C 2.063 178.708 176.600 0.075 0.000 1.007 2244 E CA 1.374 57.851 56.400 0.128 0.000 0.809 2244 E CB -0.558 29.246 29.700 0.173 0.000 0.749 2244 E HN 0.611 nan 8.360 nan 0.000 0.450 2245 G N 1.039 109.850 108.800 0.019 0.000 2.442 2245 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 2245 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 2245 G C 1.601 176.446 174.900 -0.092 0.000 1.141 2245 G CA 0.820 45.916 45.100 -0.006 0.000 0.763 2245 G HN 0.282 nan 8.290 nan 0.000 0.554 2246 I N 0.239 120.678 120.570 -0.218 0.000 2.439 2246 I HA -0.029 4.141 4.170 0.001 0.000 0.251 2246 I C 2.568 178.590 176.117 -0.158 0.000 1.139 2246 I CA 0.514 61.607 61.300 -0.346 0.000 1.438 2246 I CB -0.093 37.636 38.000 -0.452 0.000 1.085 2246 I HN 0.164 nan 8.210 nan 0.000 0.427 2247 I N 0.599 121.067 120.570 -0.169 0.000 2.202 2247 I HA -0.270 3.901 4.170 0.001 0.000 0.242 2247 I C 2.602 178.538 176.117 -0.301 0.000 1.091 2247 I CA 1.207 62.343 61.300 -0.275 0.000 1.368 2247 I CB -0.278 37.439 38.000 -0.471 0.000 1.058 2247 I HN 0.193 nan 8.210 nan 0.000 0.410 2248 E N 1.658 121.745 120.200 -0.187 0.000 2.058 2248 E HA -0.220 4.130 4.350 0.001 0.000 0.194 2248 E C 2.094 178.708 176.600 0.023 0.000 0.997 2248 E CA 1.876 58.283 56.400 0.012 0.000 0.801 2248 E CB -0.237 29.577 29.700 0.189 0.000 0.746 2248 E HN 0.402 nan 8.360 nan 0.000 0.450 2249 A N 1.208 124.060 122.820 0.053 0.000 1.883 2249 A HA -0.167 4.154 4.320 0.001 0.000 0.217 2249 A C 2.396 180.026 177.584 0.077 0.000 1.186 2249 A CA 2.002 54.117 52.037 0.130 0.000 0.624 2249 A CB -1.065 18.143 19.000 0.346 0.000 0.822 2249 A HN 0.534 nan 8.150 nan 0.000 0.444 2250 I N -2.877 117.713 120.570 0.033 0.000 2.546 2250 I HA -0.084 4.087 4.170 0.001 0.000 0.255 2250 I C 2.038 178.055 176.117 -0.166 0.000 1.163 2250 I CA 0.975 62.253 61.300 -0.037 0.000 1.457 2250 I CB -0.447 37.540 38.000 -0.022 0.000 1.092 2250 I HN 0.191 nan 8.210 nan 0.000 0.434 2251 L N 1.140 122.259 121.223 -0.172 0.000 2.093 2251 L HA -0.108 4.233 4.340 0.001 0.000 0.208 2251 L C 2.636 179.448 176.870 -0.098 0.000 1.085 2251 L CA 1.448 56.177 54.840 -0.186 0.000 0.755 2251 L CB -0.539 41.453 42.059 -0.112 0.000 0.904 2251 L HN 0.262 nan 8.230 nan 0.000 0.435 2252 E N 0.382 120.558 120.200 -0.040 0.000 2.072 2252 E HA -0.190 4.161 4.350 0.001 0.000 0.191 2252 E C 2.274 178.854 176.600 -0.034 0.000 0.985 2252 E CA 1.158 57.548 56.400 -0.017 0.000 0.801 2252 E CB -0.038 29.671 29.700 0.014 0.000 0.750 2252 E HN 0.453 nan 8.360 nan 0.000 0.452 2253 I N 0.760 121.309 120.570 -0.035 0.000 2.202 2253 I HA -0.265 3.906 4.170 0.001 0.000 0.242 2253 I C 2.730 178.819 176.117 -0.047 0.000 1.091 2253 I CA 1.014 62.293 61.300 -0.034 0.000 1.368 2253 I CB -0.299 37.685 38.000 -0.026 0.000 1.058 2253 I HN 0.047 nan 8.210 nan 0.000 0.410 2254 R N 1.209 121.663 120.500 -0.077 0.000 2.080 2254 R HA -0.248 4.093 4.340 0.001 0.000 0.236 2254 R C 2.404 178.632 176.300 -0.120 0.000 1.137 2254 R CA 1.874 57.928 56.100 -0.077 0.000 0.943 2254 R CB -0.344 29.834 30.300 -0.202 0.000 0.846 2254 R HN 0.241 nan 8.270 nan 0.000 0.431 2255 E N 0.249 120.385 120.200 -0.106 0.000 2.114 2255 E HA -0.182 4.168 4.350 0.001 0.000 0.199 2255 E C 1.866 178.397 176.600 -0.114 0.000 1.008 2255 E CA 1.917 58.259 56.400 -0.097 0.000 0.810 2255 E CB -0.045 29.620 29.700 -0.058 0.000 0.739 2255 E HN 0.319 nan 8.360 nan 0.000 0.456 2256 V N 0.725 120.588 119.914 -0.084 0.000 2.407 2256 V HA -0.128 3.993 4.120 0.001 0.000 0.245 2256 V C 2.495 178.551 176.094 -0.065 0.000 1.041 2256 V CA 1.573 63.838 62.300 -0.059 0.000 1.040 2256 V CB -0.651 31.163 31.823 -0.015 0.000 0.671 2256 V HN 0.334 nan 8.190 nan 0.000 0.455 2257 A N 0.803 123.569 122.820 -0.089 0.000 1.968 2257 A HA -0.135 4.186 4.320 0.001 0.000 0.217 2257 A C 2.487 179.755 177.584 -0.525 0.000 1.169 2257 A CA 1.629 53.612 52.037 -0.090 0.000 0.638 2257 A CB -0.667 18.339 19.000 0.011 0.000 0.812 2257 A HN 0.655 nan 8.150 nan 0.000 0.446 2258 S N 0.531 115.715 115.700 -0.860 0.000 2.420 2258 S HA -0.288 4.183 4.470 0.001 0.000 0.237 2258 S C 1.838 175.950 174.600 -0.814 0.000 1.023 2258 S CA 1.714 59.052 58.200 -1.437 0.000 0.991 2258 S CB -0.485 62.350 63.200 -0.608 0.000 0.792 2258 S HN 0.659 nan 8.310 nan 0.000 0.488 2259 K N 0.504 120.558 120.400 -0.576 0.000 2.211 2259 K HA -0.146 4.175 4.320 0.001 0.000 0.204 2259 K C 0.867 177.053 176.600 -0.690 0.000 1.047 2259 K CA 1.497 57.412 56.287 -0.621 0.000 0.935 2259 K CB -0.234 31.791 32.500 -0.791 0.000 0.728 2259 K HN 0.653 nan 8.250 nan 0.000 0.452 2260 Y N -0.894 119.281 120.300 -0.208 0.000 2.458 2260 Y HA 0.137 4.687 4.550 0.001 0.000 0.256 2260 Y C -0.293 175.641 175.900 0.057 0.000 1.159 2260 Y CA -0.978 57.080 58.100 -0.069 0.000 1.261 2260 Y CB 0.207 38.639 38.460 -0.048 0.000 1.119 2260 Y HN -0.134 nan 8.280 nan 0.000 0.524 2261 Y N 2.169 122.509 120.300 0.068 0.000 2.632 2261 Y HA 0.070 4.621 4.550 0.001 0.000 0.329 2261 Y C 0.706 176.624 175.900 0.031 0.000 1.174 2261 Y CA -1.034 57.093 58.100 0.045 0.000 1.469 2261 Y CB -0.145 38.329 38.460 0.024 0.000 1.242 2261 Y HN 0.128 nan 8.280 nan 0.000 0.540 2262 E N 0.783 121.093 120.200 0.183 0.000 2.398 2262 E HA 0.095 4.446 4.350 0.001 0.000 0.263 2262 E C -0.069 176.573 176.600 0.070 0.000 1.046 2262 E CA 0.022 56.481 56.400 0.098 0.000 0.908 2262 E CB 0.238 29.975 29.700 0.061 0.000 0.963 2262 E HN 0.431 nan 8.360 nan 0.000 0.431 2263 T N 3.884 118.467 114.554 0.048 0.000 2.817 2263 T HA 0.173 4.524 4.350 0.001 0.000 0.295 2263 T C 0.877 175.583 174.700 0.010 0.000 0.958 2263 T CA -0.028 62.091 62.100 0.031 0.000 1.157 2263 T CB -0.293 68.589 68.868 0.023 0.000 0.898 2263 T HN 0.526 nan 8.240 nan 0.000 0.536 2264 I N 0.000 120.570 120.570 0.000 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 2264 I CB 0.000 37.986 38.000 -0.022 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494