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 1zha_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCGQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX XXXXXXGMRE 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 0.000 176.688 176.600 0.147 0.000 0.988 2003 K CA 0.000 56.365 56.287 0.130 0.000 0.838 2003 K CB 0.000 32.573 32.500 0.122 0.000 1.064 2004 F N 1.688 121.650 119.950 0.020 0.000 2.608 2004 F HA 0.182 4.709 4.527 0.001 0.000 0.380 2004 F C -0.159 175.601 175.800 -0.066 0.000 1.083 2004 F CA -0.316 57.679 58.000 -0.008 0.000 1.266 2004 F CB 0.505 39.493 39.000 -0.020 0.000 1.076 2004 F HN 0.425 nan 8.300 nan 0.000 0.574 2005 L N 6.694 127.531 121.223 -0.642 0.000 2.307 2005 L HA 0.560 4.901 4.340 0.001 0.000 0.282 2005 L C -1.158 175.314 176.870 -0.663 0.000 1.051 2005 L CA -0.413 54.119 54.840 -0.514 0.000 0.804 2005 L CB 1.531 43.362 42.059 -0.381 0.000 1.197 2005 L HN 0.382 nan 8.230 nan 0.000 0.431 2006 V N 6.617 126.228 119.914 -0.506 0.000 2.447 2006 V HA 0.419 4.540 4.120 0.001 0.000 0.292 2006 V C -0.203 175.700 176.094 -0.319 0.000 1.021 2006 V CA -0.431 61.596 62.300 -0.456 0.000 0.850 2006 V CB 1.495 32.912 31.823 -0.677 0.000 1.005 2006 V HN 0.546 nan 8.190 nan 0.000 0.426 2007 I N 4.647 125.064 120.570 -0.256 0.000 2.312 2007 I HA 0.801 4.972 4.170 0.001 0.000 0.290 2007 I C 0.350 176.227 176.117 -0.399 0.000 1.008 2007 I CA -0.083 61.059 61.300 -0.263 0.000 1.226 2007 I CB 1.479 39.358 38.000 -0.203 0.000 1.371 2007 I HN 0.699 nan 8.210 nan 0.000 0.468 2008 A N 4.615 127.234 122.820 -0.334 0.000 2.594 2008 A HA 1.018 5.339 4.320 0.001 0.000 0.291 2008 A C -0.385 176.899 177.584 -0.500 0.000 1.105 2008 A CA -0.277 51.531 52.037 -0.383 0.000 0.694 2008 A CB 2.024 20.924 19.000 -0.166 0.000 1.291 2008 A HN 0.913 nan 8.150 nan 0.000 0.410 2009 G N -0.390 108.106 108.800 -0.507 0.000 2.356 2009 G HA2 0.481 4.442 3.960 0.001 0.000 0.300 2009 G HA3 0.481 4.442 3.960 0.001 0.000 0.300 2009 G C -3.570 171.098 174.900 -0.388 0.000 1.331 2009 G CA -0.211 44.485 45.100 -0.673 0.000 0.905 2009 G HN 0.737 nan 8.290 nan 0.000 0.587 2010 P HA 0.245 nan 4.420 nan 0.000 0.275 2010 P C 1.354 178.642 177.300 -0.021 0.000 1.227 2010 P CA 0.038 63.102 63.100 -0.061 0.000 0.781 2010 P CB 1.656 33.363 31.700 0.011 0.000 0.906 2011 C N 3.317 122.649 119.300 0.054 0.000 2.367 2011 C HA -0.048 4.413 4.460 0.001 0.000 0.276 2011 C C 1.296 176.366 174.990 0.132 0.000 1.195 2011 C CA 1.831 60.906 59.018 0.096 0.000 1.756 2011 C CB -1.369 26.445 27.740 0.123 0.000 2.046 2011 C HN 0.707 nan 8.230 nan 0.000 0.453 2012 A N -0.690 122.246 122.820 0.192 0.000 2.356 2012 A HA 0.707 5.028 4.320 0.001 0.000 0.323 2012 A C -0.384 177.389 177.584 0.314 0.000 1.119 2012 A CA -0.605 51.590 52.037 0.265 0.000 0.790 2012 A CB 0.488 19.726 19.000 0.396 0.000 1.273 2012 A HN 0.457 nan 8.150 nan 0.000 0.452 2013 I N 2.193 122.983 120.570 0.366 0.000 2.352 2013 I HA 0.023 4.193 4.170 0.001 0.000 0.303 2013 I C 0.838 177.282 176.117 0.544 0.000 1.194 2013 I CA 0.329 61.881 61.300 0.420 0.000 1.518 2013 I CB -0.145 38.128 38.000 0.455 0.000 1.489 2013 I HN 0.856 nan 8.210 nan 0.000 0.702 2014 E N 2.916 123.355 120.200 0.398 0.000 2.274 2014 E HA -0.067 4.284 4.350 0.001 0.000 0.194 2014 E C 0.250 177.064 176.600 0.357 0.000 0.996 2014 E CA 0.507 57.093 56.400 0.310 0.000 0.840 2014 E CB 0.213 29.966 29.700 0.088 0.000 0.772 2014 E HN 0.740 nan 8.360 nan 0.000 0.491 2015 S N -1.189 114.710 115.700 0.333 0.000 2.678 2015 S HA -0.005 4.466 4.470 0.001 0.000 0.290 2015 S C 0.260 175.011 174.600 0.251 0.000 1.047 2015 S CA -0.688 57.686 58.200 0.290 0.000 0.851 2015 S CB 0.778 64.066 63.200 0.147 0.000 1.058 2015 S HN 0.220 nan 8.310 nan 0.000 0.451 2016 E N 1.081 121.403 120.200 0.204 0.000 2.265 2016 E HA -0.191 4.160 4.350 0.001 0.000 0.196 2016 E C 1.395 178.034 176.600 0.065 0.000 0.996 2016 E CA 1.197 57.633 56.400 0.060 0.000 0.832 2016 E CB -0.171 29.477 29.700 -0.087 0.000 0.756 2016 E HN 0.779 nan 8.360 nan 0.000 0.491 2017 E N 0.896 121.142 120.200 0.077 0.000 2.031 2017 E HA -0.239 4.112 4.350 0.001 0.000 0.193 2017 E C 2.156 178.789 176.600 0.054 0.000 0.994 2017 E CA 1.253 57.686 56.400 0.055 0.000 0.800 2017 E CB -0.139 29.591 29.700 0.050 0.000 0.752 2017 E HN 0.373 nan 8.360 nan 0.000 0.447 2018 L N 1.190 122.451 121.223 0.063 0.000 2.042 2018 L HA -0.195 4.146 4.340 0.001 0.000 0.210 2018 L C 2.257 179.168 176.870 0.068 0.000 1.076 2018 L CA 1.643 56.501 54.840 0.029 0.000 0.749 2018 L CB -0.469 41.606 42.059 0.027 0.000 0.893 2018 L HN 0.256 nan 8.230 nan 0.000 0.432 2019 L N -1.224 120.080 121.223 0.136 0.000 2.083 2019 L HA -0.241 4.100 4.340 0.001 0.000 0.209 2019 L C 2.546 179.458 176.870 0.070 0.000 1.083 2019 L CA 1.334 56.301 54.840 0.212 0.000 0.752 2019 L CB -0.603 41.566 42.059 0.184 0.000 0.899 2019 L HN 0.361 nan 8.230 nan 0.000 0.433 2020 L N -0.259 121.003 121.223 0.065 0.000 2.093 2020 L HA -0.205 4.136 4.340 0.001 0.000 0.208 2020 L C 2.687 179.603 176.870 0.076 0.000 1.085 2020 L CA 1.170 56.091 54.840 0.135 0.000 0.755 2020 L CB -0.483 41.655 42.059 0.132 0.000 0.904 2020 L HN 0.272 nan 8.230 nan 0.000 0.435 2021 K N 0.368 120.789 120.400 0.035 0.000 2.026 2021 K HA -0.143 4.178 4.320 0.001 0.000 0.208 2021 K C 2.003 178.573 176.600 -0.049 0.000 1.048 2021 K CA 1.424 57.706 56.287 -0.007 0.000 0.929 2021 K CB 0.045 32.536 32.500 -0.016 0.000 0.713 2021 K HN 0.057 nan 8.250 nan 0.000 0.439 2022 V N 0.767 120.678 119.914 -0.004 0.000 2.358 2022 V HA -0.139 3.982 4.120 0.001 0.000 0.246 2022 V C 2.421 178.523 176.094 0.013 0.000 1.047 2022 V CA 2.028 64.348 62.300 0.032 0.000 1.035 2022 V CB -0.831 31.066 31.823 0.123 0.000 0.658 2022 V HN 0.617 nan 8.190 nan 0.000 0.452 2023 G N -0.710 108.049 108.800 -0.069 0.000 2.442 2023 G HA2 -0.292 3.668 3.960 0.001 0.000 0.219 2023 G HA3 -0.292 3.668 3.960 0.001 0.000 0.219 2023 G C 1.520 175.810 174.900 -1.017 0.000 1.141 2023 G CA 0.968 45.773 45.100 -0.490 0.000 0.763 2023 G HN 0.564 nan 8.290 nan 0.000 0.554 2024 E N 0.167 119.827 120.200 -0.899 0.000 2.051 2024 E HA -0.189 4.161 4.350 0.001 0.000 0.192 2024 E C 2.330 178.675 176.600 -0.425 0.000 0.991 2024 E CA 1.406 57.348 56.400 -0.764 0.000 0.799 2024 E CB -0.100 29.462 29.700 -0.231 0.000 0.748 2024 E HN 0.415 nan 8.360 nan 0.000 0.449 2025 E N 0.775 120.816 120.200 -0.265 0.000 2.110 2025 E HA -0.143 4.208 4.350 0.001 0.000 0.193 2025 E C 1.940 178.418 176.600 -0.202 0.000 0.988 2025 E CA 1.160 57.457 56.400 -0.172 0.000 0.804 2025 E CB -0.256 29.383 29.700 -0.101 0.000 0.745 2025 E HN 0.388 nan 8.360 nan 0.000 0.458 2026 I N 0.147 120.586 120.570 -0.219 0.000 2.394 2026 I HA -0.207 3.964 4.170 0.001 0.000 0.251 2026 I C 2.210 178.095 176.117 -0.388 0.000 1.136 2026 I CA 0.980 62.137 61.300 -0.237 0.000 1.425 2026 I CB -0.242 37.738 38.000 -0.033 0.000 1.079 2026 I HN 0.077 nan 8.210 nan 0.000 0.425 2027 K N 1.600 121.773 120.400 -0.378 0.000 2.025 2027 K HA -0.185 4.135 4.320 0.001 0.000 0.207 2027 K C 2.199 178.653 176.600 -0.244 0.000 1.049 2027 K CA 1.500 57.607 56.287 -0.299 0.000 0.933 2027 K CB -0.317 31.993 32.500 -0.317 0.000 0.714 2027 K HN 0.065 nan 8.250 nan 0.000 0.438 2028 R N -0.107 120.259 120.500 -0.223 0.000 2.080 2028 R HA -0.094 4.247 4.340 0.001 0.000 0.236 2028 R C 2.017 178.205 176.300 -0.187 0.000 1.137 2028 R CA 1.569 57.573 56.100 -0.161 0.000 0.943 2028 R CB -0.353 29.873 30.300 -0.124 0.000 0.846 2028 R HN 0.179 nan 8.270 nan 0.000 0.431 2029 L N 0.623 121.706 121.223 -0.233 0.000 2.079 2029 L HA -0.170 4.171 4.340 0.001 0.000 0.210 2029 L C 2.534 179.201 176.870 -0.338 0.000 1.081 2029 L CA 1.733 56.469 54.840 -0.173 0.000 0.752 2029 L CB -1.360 40.582 42.059 -0.194 0.000 0.896 2029 L HN 0.337 nan 8.230 nan 0.000 0.433 2030 S N -0.581 114.715 115.700 -0.674 0.000 2.370 2030 S HA -0.179 4.292 4.470 0.001 0.000 0.226 2030 S C 1.774 176.325 174.600 -0.082 0.000 1.033 2030 S CA 1.224 59.141 58.200 -0.471 0.000 1.011 2030 S CB 0.069 63.074 63.200 -0.327 0.000 0.852 2030 S HN 0.401 nan 8.310 nan 0.000 0.457 2031 E N 0.823 120.957 120.200 -0.110 0.000 2.158 2031 E HA -0.028 4.322 4.350 0.001 0.000 0.191 2031 E C 1.981 178.527 176.600 -0.091 0.000 0.982 2031 E CA 0.683 57.045 56.400 -0.063 0.000 0.823 2031 E CB -0.239 29.420 29.700 -0.069 0.000 0.766 2031 E HN 0.596 nan 8.360 nan 0.000 0.468 2032 K N -0.269 120.026 120.400 -0.174 0.000 2.116 2032 K HA -0.010 4.311 4.320 0.001 0.000 0.203 2032 K C 0.031 176.340 176.600 -0.484 0.000 1.052 2032 K CA 0.516 56.572 56.287 -0.384 0.000 0.952 2032 K CB 0.177 32.324 32.500 -0.589 0.000 0.729 2032 K HN -0.066 nan 8.250 nan 0.000 0.446 2033 F N 1.554 121.571 119.950 0.112 0.000 2.334 2033 F HA 0.303 4.831 4.527 0.001 0.000 0.343 2033 F C 0.610 176.537 175.800 0.213 0.000 1.136 2033 F CA -0.861 57.252 58.000 0.189 0.000 1.237 2033 F CB 1.324 40.509 39.000 0.308 0.000 1.525 2033 F HN -0.243 nan 8.300 nan 0.000 0.528 2034 K N 1.288 121.827 120.400 0.232 0.000 2.362 2034 K HA -0.156 4.165 4.320 0.001 0.000 0.200 2034 K C 1.606 178.325 176.600 0.198 0.000 1.046 2034 K CA 0.920 57.319 56.287 0.188 0.000 0.952 2034 K CB -0.018 32.546 32.500 0.105 0.000 0.753 2034 K HN 0.707 nan 8.250 nan 0.000 0.466 2035 E N 0.012 120.343 120.200 0.218 0.000 2.482 2035 E HA 0.004 4.355 4.350 0.001 0.000 0.196 2035 E C 0.114 176.827 176.600 0.189 0.000 1.047 2035 E CA 0.145 56.652 56.400 0.178 0.000 0.869 2035 E CB 0.233 30.028 29.700 0.158 0.000 0.836 2035 E HN -0.195 nan 8.360 nan 0.000 0.520 2036 V N 1.530 121.585 119.914 0.235 0.000 2.581 2036 V HA 0.172 4.293 4.120 0.001 0.000 0.303 2036 V C -0.339 175.828 176.094 0.122 0.000 1.041 2036 V CA -0.858 61.523 62.300 0.136 0.000 0.907 2036 V CB 1.667 33.483 31.823 -0.012 0.000 0.994 2036 V HN 0.184 nan 8.190 nan 0.000 0.442 2037 E N 3.282 123.483 120.200 0.003 0.000 2.081 2037 E HA 0.381 4.732 4.350 0.001 0.000 0.281 2037 E C -1.431 175.128 176.600 -0.069 0.000 0.986 2037 E CA -0.459 55.968 56.400 0.046 0.000 0.796 2037 E CB 0.576 30.294 29.700 0.029 0.000 1.085 2037 E HN 0.490 nan 8.360 nan 0.000 0.398 2038 F N 3.025 122.999 119.950 0.041 0.000 2.384 2038 F HA 0.312 4.840 4.527 0.001 0.000 0.338 2038 F C 0.032 175.842 175.800 0.018 0.000 1.103 2038 F CA -0.493 57.519 58.000 0.021 0.000 1.157 2038 F CB 1.442 40.470 39.000 0.047 0.000 1.167 2038 F HN 0.138 nan 8.300 nan 0.000 0.529 2039 V N 4.323 124.320 119.914 0.138 0.000 2.525 2039 V HA 0.233 4.353 4.120 0.001 0.000 0.299 2039 V C -0.827 175.330 176.094 0.105 0.000 1.034 2039 V CA -1.044 61.313 62.300 0.096 0.000 0.863 2039 V CB 1.652 33.466 31.823 -0.016 0.000 0.999 2039 V HN 0.541 nan 8.190 nan 0.000 0.423 2040 F N 5.699 125.662 119.950 0.021 0.000 2.438 2040 F HA 0.557 5.085 4.527 0.001 0.000 0.356 2040 F C 0.237 176.027 175.800 -0.017 0.000 1.099 2040 F CA 0.235 58.234 58.000 -0.002 0.000 1.185 2040 F CB 0.555 39.565 39.000 0.016 0.000 1.115 2040 F HN 0.400 nan 8.300 nan 0.000 0.526 2041 K N 4.631 124.677 120.400 -0.589 0.000 2.316 2041 K HA 0.619 4.940 4.320 0.001 0.000 0.251 2041 K C -1.674 174.671 176.600 -0.424 0.000 0.934 2041 K CA -0.470 55.606 56.287 -0.351 0.000 0.802 2041 K CB 1.887 34.195 32.500 -0.320 0.000 1.171 2041 K HN 0.691 nan 8.250 nan 0.000 0.426 2042 S N 1.115 116.760 115.700 -0.093 0.000 2.578 2042 S HA 0.315 4.786 4.470 0.001 0.000 0.285 2042 S C -1.748 172.922 174.600 0.117 0.000 1.126 2042 S CA -0.536 57.673 58.200 0.015 0.000 0.878 2042 S CB 1.057 64.329 63.200 0.120 0.000 1.091 2042 S HN 0.511 nan 8.310 nan 0.000 0.450 2043 S N 3.275 119.037 115.700 0.104 0.000 2.499 2043 S HA 0.381 4.852 4.470 0.001 0.000 0.279 2043 S C 0.769 175.427 174.600 0.097 0.000 1.219 2043 S CA -0.600 57.622 58.200 0.037 0.000 1.062 2043 S CB 0.344 63.536 63.200 -0.013 0.000 0.978 2043 S HN 0.687 nan 8.310 nan 0.000 0.489 2044 F N 0.530 120.580 119.950 0.168 0.000 2.710 2044 F HA 0.442 4.970 4.527 0.001 0.000 0.298 2044 F C 0.368 176.227 175.800 0.098 0.000 1.137 2044 F CA -0.370 57.733 58.000 0.171 0.000 1.444 2044 F CB -0.046 39.053 39.000 0.164 0.000 1.111 2044 F HN 0.458 nan 8.300 nan 0.000 0.580 2045 D N 0.284 120.466 120.400 -0.364 0.000 2.931 2045 D HA 0.223 4.864 4.640 0.001 0.000 0.215 2045 D C -1.527 174.547 176.300 -0.378 0.000 1.297 2045 D CA -0.595 53.205 54.000 -0.333 0.000 0.892 2045 D CB 1.203 41.809 40.800 -0.324 0.000 1.642 2045 D HN -0.173 nan 8.370 nan 0.000 0.560 2046 K N 3.045 123.268 120.400 -0.294 0.000 2.244 2046 K HA 0.518 4.839 4.320 0.001 0.000 0.263 2046 K C 0.491 176.938 176.600 -0.254 0.000 1.103 2046 K CA -0.358 55.810 56.287 -0.199 0.000 0.966 2046 K CB 0.996 33.433 32.500 -0.105 0.000 1.429 2046 K HN 0.471 nan 8.250 nan 0.000 0.434 2047 A N 2.940 125.536 122.820 -0.373 0.000 2.168 2047 A HA -0.099 4.222 4.320 0.001 0.000 0.215 2047 A C 0.749 178.267 177.584 -0.110 0.000 1.152 2047 A CA 0.751 52.592 52.037 -0.328 0.000 0.716 2047 A CB -0.286 18.386 19.000 -0.546 0.000 0.794 2047 A HN 0.736 nan 8.150 nan 0.000 0.465 2048 N N -0.542 118.139 118.700 -0.032 0.000 2.622 2048 N HA 0.102 4.843 4.740 0.001 0.000 0.304 2048 N C -0.812 174.725 175.510 0.045 0.000 1.844 2048 N CA -0.560 52.513 53.050 0.038 0.000 0.886 2048 N CB 0.472 39.060 38.487 0.168 0.000 1.366 2048 N HN -0.027 nan 8.380 nan 0.000 0.491 2049 R N 0.529 121.030 120.500 0.002 0.000 2.734 2049 R HA 0.159 4.500 4.340 0.001 0.000 0.266 2049 R C 1.188 177.496 176.300 0.013 0.000 1.044 2049 R CA -0.057 56.054 56.100 0.017 0.000 1.128 2049 R CB 0.464 30.766 30.300 0.002 0.000 1.010 2049 R HN 0.207 nan 8.270 nan 0.000 0.461 2050 S N 0.452 116.168 115.700 0.026 0.000 2.356 2050 S HA -0.109 4.362 4.470 0.001 0.000 0.223 2050 S C 1.061 175.650 174.600 -0.019 0.000 1.032 2050 S CA 1.174 59.381 58.200 0.011 0.000 1.005 2050 S CB -0.012 63.202 63.200 0.024 0.000 0.867 2050 S HN 0.645 nan 8.310 nan 0.000 0.449 2051 S N 0.033 115.723 115.700 -0.016 0.000 2.541 2051 S HA 0.369 4.840 4.470 0.001 0.000 0.283 2051 S C 0.713 175.259 174.600 -0.091 0.000 1.196 2051 S CA -0.704 57.462 58.200 -0.055 0.000 1.062 2051 S CB 0.951 64.144 63.200 -0.011 0.000 1.009 2051 S HN 0.182 nan 8.310 nan 0.000 0.502 2052 I N 3.995 124.443 120.570 -0.203 0.000 2.756 2052 I HA -0.007 4.163 4.170 0.001 0.000 0.262 2052 I C 1.280 177.309 176.117 -0.147 0.000 1.225 2052 I CA 1.712 62.886 61.300 -0.210 0.000 1.472 2052 I CB -0.352 37.472 38.000 -0.293 0.000 1.094 2052 I HN 0.841 nan 8.210 nan 0.000 0.454 2053 H N -1.281 117.793 119.070 0.006 0.000 2.539 2053 H HA 0.307 4.864 4.556 0.001 0.000 0.269 2053 H C 0.937 176.284 175.328 0.031 0.000 0.980 2053 H CA -0.256 55.801 56.048 0.015 0.000 1.152 2053 H CB 0.168 29.940 29.762 0.016 0.000 1.407 2053 H HN 0.181 nan 8.280 nan 0.000 0.564 2054 S N 0.521 116.290 115.700 0.116 0.000 2.652 2054 S HA 0.100 4.571 4.470 0.001 0.000 0.270 2054 S C -0.312 174.359 174.600 0.118 0.000 1.243 2054 S CA -0.808 57.462 58.200 0.116 0.000 0.999 2054 S CB 0.839 64.090 63.200 0.085 0.000 0.973 2054 S HN 0.225 nan 8.310 nan 0.000 0.544 2055 F N 1.867 121.819 119.950 0.003 0.000 2.538 2055 F HA 0.188 4.716 4.527 0.001 0.000 0.371 2055 F C 1.287 177.066 175.800 -0.035 0.000 1.087 2055 F CA 0.254 58.239 58.000 -0.024 0.000 1.250 2055 F CB 0.369 39.357 39.000 -0.021 0.000 1.110 2055 F HN 0.551 nan 8.300 nan 0.000 0.570 2056 R N 3.146 123.129 120.500 -0.862 0.000 2.225 2056 R HA 0.458 4.798 4.340 0.001 0.000 0.194 2056 R C 0.605 176.281 176.300 -1.039 0.000 0.949 2056 R CA 0.194 55.869 56.100 -0.708 0.000 1.088 2056 R CB 0.364 30.432 30.300 -0.387 0.000 1.106 2056 R HN 0.906 nan 8.270 nan 0.000 0.566 2057 G N -0.582 107.296 108.800 -1.536 0.000 2.340 2057 G HA2 -0.079 3.882 3.960 0.001 0.000 0.282 2057 G HA3 -0.079 3.882 3.960 0.001 0.000 0.282 2057 G C -1.131 173.415 174.900 -0.590 0.000 1.312 2057 G CA -0.826 43.696 45.100 -0.963 0.000 0.942 2057 G HN 0.317 nan 8.290 nan 0.000 0.495 2058 H N 0.170 119.263 119.070 0.039 0.000 2.581 2058 H HA 0.526 5.082 4.556 0.001 0.000 0.275 2058 H C 1.011 176.394 175.328 0.092 0.000 1.126 2058 H CA 0.922 56.965 56.048 -0.009 0.000 1.097 2058 H CB 0.826 30.402 29.762 -0.310 0.000 1.626 2058 H HN 1.790 nan 8.280 nan 0.000 0.565 2059 G N 0.312 109.252 108.800 0.233 0.000 2.663 2059 G HA2 -0.220 3.741 3.960 0.001 0.000 0.686 2059 G HA3 -0.220 3.741 3.960 0.001 0.000 0.686 2059 G C 0.134 175.200 174.900 0.277 0.000 1.246 2059 G CA -0.321 44.931 45.100 0.253 0.000 0.795 2059 G HN 0.180 nan 8.290 nan 0.000 0.627 2060 L N 0.405 121.696 121.223 0.114 0.000 2.056 2060 L HA 0.135 4.476 4.340 0.001 0.000 0.207 2060 L C 2.494 179.270 176.870 -0.156 0.000 1.078 2060 L CA 3.022 57.657 54.840 -0.342 0.000 0.749 2060 L CB -0.766 41.021 42.059 -0.454 0.000 0.901 2060 L HN 0.813 nan 8.230 nan 0.000 0.433 2061 E N -1.546 118.664 120.200 0.016 0.000 2.051 2061 E HA -0.298 4.052 4.350 0.001 0.000 0.192 2061 E C 2.124 178.776 176.600 0.085 0.000 0.991 2061 E CA 1.740 58.166 56.400 0.043 0.000 0.799 2061 E CB -0.392 29.357 29.700 0.081 0.000 0.748 2061 E HN 0.619 nan 8.360 nan 0.000 0.449 2062 Y N 0.832 121.166 120.300 0.057 0.000 2.224 2062 Y HA -0.156 4.394 4.550 0.001 0.000 0.289 2062 Y C 2.156 178.117 175.900 0.101 0.000 1.146 2062 Y CA 1.754 59.904 58.100 0.082 0.000 1.182 2062 Y CB -0.444 38.095 38.460 0.131 0.000 0.983 2062 Y HN 0.001 nan 8.280 nan 0.000 0.524 2063 G N -0.673 108.277 108.800 0.251 0.000 2.404 2063 G HA2 -0.216 3.745 3.960 0.001 0.000 0.215 2063 G HA3 -0.216 3.745 3.960 0.001 0.000 0.215 2063 G C 1.671 176.612 174.900 0.069 0.000 1.174 2063 G CA 1.200 46.437 45.100 0.228 0.000 0.780 2063 G HN 0.328 nan 8.290 nan 0.000 0.537 2064 V N 0.953 120.856 119.914 -0.019 0.000 2.407 2064 V HA -0.170 3.951 4.120 0.001 0.000 0.248 2064 V C 2.671 178.737 176.094 -0.046 0.000 1.055 2064 V CA 2.270 64.548 62.300 -0.038 0.000 1.049 2064 V CB -0.359 31.414 31.823 -0.082 0.000 0.662 2064 V HN 0.458 nan 8.190 nan 0.000 0.455 2065 K N 0.331 120.680 120.400 -0.085 0.000 2.025 2065 K HA -0.146 4.175 4.320 0.001 0.000 0.207 2065 K C 2.227 178.733 176.600 -0.156 0.000 1.049 2065 K CA 1.508 57.721 56.287 -0.123 0.000 0.933 2065 K CB -0.330 32.074 32.500 -0.160 0.000 0.714 2065 K HN 0.401 nan 8.250 nan 0.000 0.438 2066 A N 1.413 124.099 122.820 -0.222 0.000 1.902 2066 A HA -0.118 4.203 4.320 0.001 0.000 0.217 2066 A C 2.130 179.672 177.584 -0.071 0.000 1.181 2066 A CA 1.317 53.244 52.037 -0.184 0.000 0.623 2066 A CB -0.645 18.238 19.000 -0.195 0.000 0.818 2066 A HN 0.339 nan 8.150 nan 0.000 0.443 2067 L N -1.458 119.763 121.223 -0.004 0.000 2.141 2067 L HA -0.144 4.196 4.340 0.001 0.000 0.209 2067 L C 2.775 179.633 176.870 -0.020 0.000 1.094 2067 L CA 1.429 56.289 54.840 0.034 0.000 0.763 2067 L CB -0.403 41.725 42.059 0.116 0.000 0.908 2067 L HN 0.394 nan 8.230 nan 0.000 0.437 2068 R N 0.456 120.934 120.500 -0.036 0.000 2.081 2068 R HA -0.215 4.126 4.340 0.001 0.000 0.235 2068 R C 2.340 178.596 176.300 -0.073 0.000 1.131 2068 R CA 1.491 57.564 56.100 -0.045 0.000 0.960 2068 R CB -0.026 30.244 30.300 -0.049 0.000 0.856 2068 R HN 0.013 nan 8.270 nan 0.000 0.436 2069 K N -0.080 120.263 120.400 -0.095 0.000 2.063 2069 K HA -0.098 4.222 4.320 0.001 0.000 0.208 2069 K C 1.690 178.204 176.600 -0.143 0.000 1.048 2069 K CA 1.529 57.743 56.287 -0.122 0.000 0.928 2069 K CB -0.269 32.157 32.500 -0.123 0.000 0.713 2069 K HN 0.034 nan 8.250 nan 0.000 0.442 2070 V N 1.060 120.898 119.914 -0.126 0.000 2.358 2070 V HA -0.212 3.909 4.120 0.001 0.000 0.246 2070 V C 2.438 178.500 176.094 -0.053 0.000 1.047 2070 V CA 2.123 64.354 62.300 -0.114 0.000 1.035 2070 V CB -0.494 31.091 31.823 -0.397 0.000 0.658 2070 V HN 0.443 nan 8.190 nan 0.000 0.452 2071 K N 0.105 120.469 120.400 -0.059 0.000 2.097 2071 K HA -0.204 4.117 4.320 0.001 0.000 0.205 2071 K C 2.048 178.625 176.600 -0.039 0.000 1.050 2071 K CA 1.777 58.054 56.287 -0.017 0.000 0.938 2071 K CB -0.059 32.441 32.500 -0.001 0.000 0.718 2071 K HN 0.600 nan 8.250 nan 0.000 0.442 2072 E N 0.274 120.425 120.200 -0.083 0.000 2.046 2072 E HA -0.178 4.173 4.350 0.001 0.000 0.190 2072 E C 1.942 178.436 176.600 -0.177 0.000 0.982 2072 E CA 1.032 57.369 56.400 -0.105 0.000 0.800 2072 E CB 0.040 29.678 29.700 -0.104 0.000 0.756 2072 E HN 0.391 nan 8.360 nan 0.000 0.449 2073 E N -0.484 119.534 120.200 -0.303 0.000 2.208 2073 E HA -0.115 4.236 4.350 0.001 0.000 0.193 2073 E C 0.756 176.903 176.600 -0.755 0.000 0.988 2073 E CA 0.795 56.845 56.400 -0.584 0.000 0.828 2073 E CB 0.229 29.425 29.700 -0.840 0.000 0.763 2073 E HN 0.170 nan 8.360 nan 0.000 0.478 2074 F N -1.552 118.342 119.950 -0.093 0.000 2.767 2074 F HA 0.349 4.876 4.527 0.001 0.000 0.323 2074 F C 1.177 176.943 175.800 -0.058 0.000 1.091 2074 F CA 0.291 58.241 58.000 -0.083 0.000 1.192 2074 F CB 1.151 40.083 39.000 -0.115 0.000 1.056 2074 F HN 0.027 nan 8.300 nan 0.000 0.571 2075 G N 2.036 110.883 108.800 0.078 0.000 2.273 2075 G HA2 -0.295 3.665 3.960 0.001 0.000 0.280 2075 G HA3 -0.295 3.665 3.960 0.001 0.000 0.280 2075 G C -0.127 174.823 174.900 0.083 0.000 1.047 2075 G CA 0.025 45.160 45.100 0.058 0.000 0.869 2075 G HN 0.293 nan 8.290 nan 0.000 0.502 2076 L N -0.138 121.144 121.223 0.099 0.000 2.343 2076 L HA 0.469 4.810 4.340 0.001 0.000 0.275 2076 L C 1.006 177.941 176.870 0.109 0.000 1.056 2076 L CA -1.189 53.717 54.840 0.110 0.000 0.804 2076 L CB 1.013 43.139 42.059 0.111 0.000 1.203 2076 L HN -0.056 nan 8.230 nan 0.000 0.440 2077 K N 2.554 123.029 120.400 0.125 0.000 2.380 2077 K HA 0.333 4.654 4.320 0.001 0.000 0.267 2077 K C -0.473 176.211 176.600 0.141 0.000 0.990 2077 K CA -0.138 56.216 56.287 0.111 0.000 0.946 2077 K CB 0.972 33.531 32.500 0.097 0.000 0.937 2077 K HN 0.311 nan 8.250 nan 0.000 0.491 2078 I N 0.663 121.306 120.570 0.122 0.000 2.689 2078 I HA 0.290 4.461 4.170 0.001 0.000 0.299 2078 I C 0.177 176.363 176.117 0.115 0.000 1.059 2078 I CA -0.454 60.940 61.300 0.157 0.000 1.055 2078 I CB 1.968 40.054 38.000 0.144 0.000 1.243 2078 I HN 0.492 nan 8.210 nan 0.000 0.425 2079 T N 2.856 117.482 114.554 0.120 0.000 2.956 2079 T HA 0.622 4.973 4.350 0.001 0.000 0.312 2079 T C -1.064 173.696 174.700 0.099 0.000 1.151 2079 T CA -0.207 61.941 62.100 0.081 0.000 1.024 2079 T CB 1.593 70.482 68.868 0.036 0.000 1.140 2079 T HN 0.843 nan 8.240 nan 0.000 0.473 2080 T N 2.358 116.972 114.554 0.098 0.000 2.821 2080 T HA 0.555 4.906 4.350 0.001 0.000 0.306 2080 T C -2.037 172.689 174.700 0.043 0.000 1.313 2080 T CA -0.716 61.450 62.100 0.111 0.000 1.012 2080 T CB 1.470 70.482 68.868 0.239 0.000 1.298 2080 T HN 0.790 nan 8.240 nan 0.000 0.502 2081 D N 2.690 123.052 120.400 -0.063 0.000 2.193 2081 D HA 0.509 5.149 4.640 0.001 0.000 0.249 2081 D C 0.310 176.362 176.300 -0.414 0.000 1.034 2081 D CA -0.639 53.226 54.000 -0.225 0.000 0.902 2081 D CB 1.093 41.725 40.800 -0.281 0.000 1.182 2081 D HN 0.765 nan 8.370 nan 0.000 0.436 2082 I N -2.106 118.216 120.570 -0.414 0.000 2.707 2082 I HA 0.483 4.654 4.170 0.001 0.000 0.309 2082 I C -0.331 175.367 176.117 -0.700 0.000 1.001 2082 I CA -0.936 60.128 61.300 -0.394 0.000 1.129 2082 I CB 1.726 39.633 38.000 -0.155 0.000 1.308 2082 I HN 0.313 nan 8.210 nan 0.000 0.466 2083 H N 0.288 119.305 119.070 -0.088 0.000 3.255 2083 H HA 0.446 5.003 4.556 0.001 0.000 0.256 2083 H C -0.584 174.718 175.328 -0.042 0.000 1.049 2083 H CA -0.213 55.797 56.048 -0.063 0.000 1.202 2083 H CB 0.758 30.487 29.762 -0.054 0.000 1.497 2083 H HN 0.597 nan 8.280 nan 0.000 0.503 2084 E N -0.402 119.776 120.200 -0.037 0.000 2.383 2084 E HA 0.275 4.626 4.350 0.001 0.000 0.275 2084 E C 0.060 176.570 176.600 -0.149 0.000 0.918 2084 E CA -0.296 56.093 56.400 -0.019 0.000 0.764 2084 E CB 2.447 32.237 29.700 0.150 0.000 1.252 2084 E HN -0.030 nan 8.360 nan 0.000 0.449 2085 S N 1.410 117.116 115.700 0.011 0.000 2.380 2085 S HA -0.185 4.286 4.470 0.001 0.000 0.229 2085 S C 1.594 176.211 174.600 0.028 0.000 1.043 2085 S CA 1.874 60.092 58.200 0.029 0.000 1.038 2085 S CB -0.298 62.963 63.200 0.101 0.000 0.872 2085 S HN 0.741 nan 8.310 nan 0.000 0.456 2086 W N 1.988 123.323 121.300 0.057 0.000 2.421 2086 W HA -0.096 4.564 4.660 0.001 0.000 0.270 2086 W C 1.154 177.703 176.519 0.051 0.000 1.233 2086 W CA 0.829 58.203 57.345 0.048 0.000 1.226 2086 W CB -0.857 28.630 29.460 0.044 0.000 1.121 2086 W HN 0.418 nan 8.180 nan 0.000 0.579 2087 Q N 0.825 120.178 119.800 -0.745 0.000 2.378 2087 Q HA 0.048 4.389 4.340 0.001 0.000 0.205 2087 Q C 2.650 178.503 176.000 -0.245 0.000 0.954 2087 Q CA 1.075 56.462 55.803 -0.694 0.000 0.901 2087 Q CB -0.257 27.996 28.738 -0.808 0.000 0.981 2087 Q HN 0.309 nan 8.270 nan 0.000 0.483 2088 A N 1.803 124.538 122.820 -0.140 0.000 1.883 2088 A HA -0.287 4.034 4.320 0.001 0.000 0.217 2088 A C 1.970 179.542 177.584 -0.020 0.000 1.186 2088 A CA 1.752 53.755 52.037 -0.055 0.000 0.624 2088 A CB -0.473 18.513 19.000 -0.023 0.000 0.822 2088 A HN 0.416 nan 8.150 nan 0.000 0.444 2089 E N -0.460 119.745 120.200 0.008 0.000 2.017 2089 E HA -0.146 4.204 4.350 0.001 0.000 0.193 2089 E C -0.505 176.104 176.600 0.015 0.000 0.997 2089 E CA 1.397 57.813 56.400 0.026 0.000 0.804 2089 E CB -0.562 29.171 29.700 0.054 0.000 0.757 2089 E HN 0.490 nan 8.360 nan 0.000 0.448 2090 P HA -0.127 nan 4.420 nan 0.000 0.218 2090 P C 1.557 178.833 177.300 -0.041 0.000 1.148 2090 P CA 1.040 64.138 63.100 -0.004 0.000 0.822 2090 P CB 0.036 31.745 31.700 0.015 0.000 0.784 2091 V N 0.939 120.816 119.914 -0.063 0.000 2.453 2091 V HA -0.140 3.981 4.120 0.001 0.000 0.247 2091 V C 2.779 178.873 176.094 0.000 0.000 1.048 2091 V CA 1.904 64.178 62.300 -0.043 0.000 1.049 2091 V CB -1.640 30.175 31.823 -0.013 0.000 0.672 2091 V HN 0.091 nan 8.190 nan 0.000 0.457 2092 A N -0.421 122.402 122.820 0.004 0.000 2.178 2092 A HA -0.177 4.144 4.320 0.001 0.000 0.218 2092 A C 2.079 179.673 177.584 0.017 0.000 1.157 2092 A CA 1.265 53.312 52.037 0.017 0.000 0.689 2092 A CB -0.345 18.665 19.000 0.017 0.000 0.787 2092 A HN 0.556 nan 8.150 nan 0.000 0.465 2093 E N -0.461 119.744 120.200 0.009 0.000 2.150 2093 E HA -0.094 4.257 4.350 0.001 0.000 0.193 2093 E C 1.656 178.263 176.600 0.012 0.000 0.985 2093 E CA 1.556 57.961 56.400 0.008 0.000 0.814 2093 E CB -0.128 29.573 29.700 0.001 0.000 0.752 2093 E HN 0.486 nan 8.360 nan 0.000 0.466 2094 V N -0.109 119.815 119.914 0.016 0.000 3.484 2094 V HA 0.235 4.356 4.120 0.001 0.000 0.252 2094 V C 0.776 176.897 176.094 0.045 0.000 1.282 2094 V CA 0.397 62.712 62.300 0.025 0.000 1.104 2094 V CB 0.487 32.322 31.823 0.020 0.000 0.868 2094 V HN 0.059 nan 8.190 nan 0.000 0.457 2095 A N 0.666 123.516 122.820 0.050 0.000 2.404 2095 A HA 0.245 4.566 4.320 0.001 0.000 0.273 2095 A C 0.856 178.474 177.584 0.056 0.000 1.144 2095 A CA -0.064 52.012 52.037 0.065 0.000 0.806 2095 A CB -0.019 19.023 19.000 0.070 0.000 1.080 2095 A HN 0.373 nan 8.150 nan 0.000 0.509 2096 D N 1.647 122.084 120.400 0.062 0.000 2.249 2096 D HA 0.069 4.709 4.640 0.001 0.000 0.205 2096 D C 0.146 176.484 176.300 0.064 0.000 0.962 2096 D CA 1.369 55.405 54.000 0.060 0.000 0.860 2096 D CB 0.299 41.137 40.800 0.063 0.000 0.955 2096 D HN 0.564 nan 8.370 nan 0.000 0.505 2097 I N 1.559 122.163 120.570 0.057 0.000 2.478 2097 I HA 0.265 4.436 4.170 0.001 0.000 0.287 2097 I C -0.446 175.699 176.117 0.046 0.000 1.042 2097 I CA -0.603 60.730 61.300 0.054 0.000 1.067 2097 I CB 2.702 40.706 38.000 0.007 0.000 1.233 2097 I HN -0.316 nan 8.210 nan 0.000 0.431 2098 I N 5.786 126.383 120.570 0.046 0.000 2.342 2098 I HA 0.221 4.392 4.170 0.001 0.000 0.291 2098 I C 0.133 176.254 176.117 0.007 0.000 1.010 2098 I CA -0.253 61.063 61.300 0.026 0.000 1.308 2098 I CB 1.280 39.291 38.000 0.019 0.000 1.400 2098 I HN 0.583 nan 8.210 nan 0.000 0.488 2099 Q N 6.442 126.231 119.800 -0.019 0.000 2.257 2099 Q HA 0.413 4.754 4.340 0.001 0.000 0.255 2099 Q C -1.103 174.834 176.000 -0.105 0.000 0.920 2099 Q CA -0.734 55.037 55.803 -0.054 0.000 0.927 2099 Q CB 1.418 30.127 28.738 -0.049 0.000 1.229 2099 Q HN 0.481 nan 8.270 nan 0.000 0.433 2100 I N 6.570 127.079 120.570 -0.102 0.000 2.330 2100 I HA 0.334 4.505 4.170 0.001 0.000 0.289 2100 I C -2.174 173.855 176.117 -0.147 0.000 1.001 2100 I CA -2.609 58.623 61.300 -0.113 0.000 1.193 2100 I CB 0.880 38.842 38.000 -0.064 0.000 1.345 2100 I HN 0.506 nan 8.210 nan 0.000 0.461 2101 P HA 0.034 nan 4.420 nan 0.000 0.266 2101 P C 0.673 177.871 177.300 -0.170 0.000 1.193 2101 P CA 0.147 63.140 63.100 -0.179 0.000 0.770 2101 P CB 0.877 32.519 31.700 -0.097 0.000 0.836 2102 A N 2.512 125.148 122.820 -0.306 0.000 1.892 2102 A HA -0.226 4.095 4.320 0.001 0.000 0.218 2102 A C 1.665 179.181 177.584 -0.114 0.000 1.188 2102 A CA 1.801 53.636 52.037 -0.337 0.000 0.631 2102 A CB -1.635 17.037 19.000 -0.547 0.000 0.822 2102 A HN 0.515 nan 8.150 nan 0.000 0.447 2103 F N -0.346 119.632 119.950 0.047 0.000 2.365 2103 F HA 0.039 4.567 4.527 0.001 0.000 0.300 2103 F C 1.577 177.481 175.800 0.174 0.000 1.090 2103 F CA 0.545 58.661 58.000 0.193 0.000 1.408 2103 F CB -0.385 38.680 39.000 0.108 0.000 1.060 2103 F HN 0.101 nan 8.300 nan 0.000 0.534 2104 L N -0.648 120.722 121.223 0.245 0.000 2.728 2104 L HA 0.104 4.445 4.340 0.001 0.000 0.238 2104 L C 1.918 178.854 176.870 0.109 0.000 1.143 2104 L CA -0.047 54.886 54.840 0.154 0.000 0.937 2104 L CB -0.718 41.395 42.059 0.090 0.000 1.225 2104 L HN 0.237 nan 8.230 nan 0.000 0.507 2105 C N -1.428 117.942 119.300 0.116 0.000 2.430 2105 C HA 0.046 4.506 4.460 0.001 0.000 0.288 2105 C C 2.086 177.131 174.990 0.090 0.000 1.448 2105 C CA 0.457 59.510 59.018 0.058 0.000 1.784 2105 C CB -1.669 26.064 27.740 -0.013 0.000 1.776 2105 C HN 0.546 nan 8.230 nan 0.000 0.547 2106 G N -0.918 107.971 108.800 0.148 0.000 3.126 2106 G HA2 0.179 4.140 3.960 0.001 0.000 0.224 2106 G HA3 0.179 4.140 3.960 0.001 0.000 0.224 2106 G C 0.602 175.535 174.900 0.055 0.000 1.142 2106 G CA -0.092 45.072 45.100 0.105 0.000 0.759 2106 G HN 0.548 nan 8.290 nan 0.000 0.550 2107 Q N 1.447 121.280 119.800 0.055 0.000 2.381 2107 Q HA 0.169 4.509 4.340 0.001 0.000 0.243 2107 Q C 1.272 177.290 176.000 0.030 0.000 1.154 2107 Q CA -0.011 55.814 55.803 0.038 0.000 0.899 2107 Q CB 0.694 29.459 28.738 0.044 0.000 1.396 2107 Q HN 0.158 nan 8.270 nan 0.000 0.485 2108 T N 1.538 116.104 114.554 0.020 0.000 2.653 2108 T HA -0.190 4.161 4.350 0.001 0.000 0.268 2108 T C 0.944 175.665 174.700 0.034 0.000 1.035 2108 T CA 1.766 63.877 62.100 0.018 0.000 1.154 2108 T CB 0.073 68.941 68.868 0.000 0.000 0.862 2108 T HN 0.483 nan 8.240 nan 0.000 0.441 2109 D N 0.636 121.059 120.400 0.037 0.000 2.144 2109 D HA -0.029 4.612 4.640 0.001 0.000 0.199 2109 D C 2.035 178.362 176.300 0.045 0.000 0.984 2109 D CA 0.530 54.559 54.000 0.048 0.000 0.834 2109 D CB -0.390 40.441 40.800 0.053 0.000 0.955 2109 D HN 0.188 nan 8.370 nan 0.000 0.465 2110 L N 0.593 121.837 121.223 0.035 0.000 2.056 2110 L HA -0.075 4.266 4.340 0.001 0.000 0.207 2110 L C 2.219 179.099 176.870 0.016 0.000 1.078 2110 L CA 1.223 56.075 54.840 0.019 0.000 0.749 2110 L CB -0.455 41.611 42.059 0.011 0.000 0.901 2110 L HN -0.011 nan 8.230 nan 0.000 0.433 2111 L N -1.444 119.794 121.223 0.025 0.000 2.017 2111 L HA -0.237 4.104 4.340 0.001 0.000 0.208 2111 L C 2.470 179.366 176.870 0.044 0.000 1.073 2111 L CA 1.287 56.144 54.840 0.029 0.000 0.745 2111 L CB -0.595 41.483 42.059 0.032 0.000 0.894 2111 L HN 0.269 nan 8.230 nan 0.000 0.432 2112 L N -0.456 120.803 121.223 0.060 0.000 2.056 2112 L HA -0.174 4.167 4.340 0.001 0.000 0.207 2112 L C 2.891 179.793 176.870 0.054 0.000 1.078 2112 L CA 1.078 55.965 54.840 0.077 0.000 0.749 2112 L CB -0.758 41.364 42.059 0.105 0.000 0.901 2112 L HN 0.238 nan 8.230 nan 0.000 0.433 2113 A N 0.114 122.961 122.820 0.045 0.000 1.902 2113 A HA -0.174 4.147 4.320 0.001 0.000 0.217 2113 A C 2.524 180.122 177.584 0.023 0.000 1.181 2113 A CA 1.804 53.862 52.037 0.036 0.000 0.623 2113 A CB -0.643 18.377 19.000 0.033 0.000 0.818 2113 A HN 0.406 nan 8.150 nan 0.000 0.443 2114 A N -0.251 122.580 122.820 0.017 0.000 1.898 2114 A HA 0.230 4.550 4.320 0.001 0.000 0.216 2114 A C 2.501 180.098 177.584 0.022 0.000 1.181 2114 A CA 1.890 53.935 52.037 0.013 0.000 0.620 2114 A CB -0.988 18.016 19.000 0.007 0.000 0.819 2114 A HN 1.034 nan 8.150 nan 0.000 0.442 2115 A N -0.115 122.722 122.820 0.028 0.000 1.933 2115 A HA -0.172 4.149 4.320 0.001 0.000 0.218 2115 A C 2.114 179.708 177.584 0.017 0.000 1.175 2115 A CA 1.943 53.996 52.037 0.027 0.000 0.628 2115 A CB -0.464 18.557 19.000 0.035 0.000 0.814 2115 A HN 0.540 nan 8.150 nan 0.000 0.444 2116 K N 0.017 120.428 120.400 0.018 0.000 2.209 2116 K HA -0.152 4.169 4.320 0.001 0.000 0.204 2116 K C 1.856 178.464 176.600 0.012 0.000 1.048 2116 K CA 1.794 58.088 56.287 0.011 0.000 0.940 2116 K CB -0.323 32.188 32.500 0.017 0.000 0.729 2116 K HN 0.640 nan 8.250 nan 0.000 0.451 2117 T N -3.195 111.370 114.554 0.017 0.000 3.051 2117 T HA 0.052 4.403 4.350 0.001 0.000 0.269 2117 T C 1.458 176.169 174.700 0.018 0.000 1.127 2117 T CA 1.004 63.115 62.100 0.018 0.000 1.107 2117 T CB -0.229 68.650 68.868 0.019 0.000 0.898 2117 T HN 0.434 nan 8.240 nan 0.000 0.517 2118 G N 1.353 110.163 108.800 0.016 0.000 2.234 2118 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 2118 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 2118 G C 0.398 175.313 174.900 0.026 0.000 0.987 2118 G CA 0.045 45.155 45.100 0.017 0.000 0.625 2118 G HN 0.635 nan 8.290 nan 0.000 0.532 2119 R N 0.807 121.326 120.500 0.032 0.000 2.649 2119 R HA 0.678 5.019 4.340 0.001 0.000 0.270 2119 R C 0.903 177.238 176.300 0.058 0.000 1.105 2119 R CA 0.271 56.398 56.100 0.044 0.000 1.193 2119 R CB 0.004 30.330 30.300 0.044 0.000 1.120 2119 R HN 0.706 nan 8.270 nan 0.000 0.561 2120 A N 0.821 123.692 122.820 0.084 0.000 2.386 2120 A HA 0.410 4.731 4.320 0.001 0.000 0.248 2120 A C -0.304 177.357 177.584 0.128 0.000 1.082 2120 A CA -0.392 51.721 52.037 0.128 0.000 0.789 2120 A CB 0.588 19.720 19.000 0.220 0.000 1.025 2120 A HN 0.333 nan 8.150 nan 0.000 0.490 2121 V N 2.487 122.489 119.914 0.147 0.000 2.588 2121 V HA 0.360 4.481 4.120 0.001 0.000 0.304 2121 V C -0.040 176.164 176.094 0.185 0.000 1.042 2121 V CA -0.746 61.625 62.300 0.119 0.000 0.877 2121 V CB 1.644 33.507 31.823 0.067 0.000 0.996 2121 V HN 0.971 nan 8.190 nan 0.000 0.425 2122 N N 3.353 122.126 118.700 0.121 0.000 2.479 2122 N HA 0.545 5.285 4.740 0.001 0.000 0.261 2122 N C -1.343 174.172 175.510 0.009 0.000 0.979 2122 N CA -0.407 52.706 53.050 0.105 0.000 0.930 2122 N CB 1.769 40.257 38.487 0.001 0.000 1.172 2122 N HN 0.455 nan 8.380 nan 0.000 0.499 2123 V N 3.986 123.905 119.914 0.008 0.000 2.370 2123 V HA 0.256 4.377 4.120 0.001 0.000 0.279 2123 V C 0.214 176.243 176.094 -0.108 0.000 1.029 2123 V CA -0.761 61.510 62.300 -0.048 0.000 0.870 2123 V CB 1.105 32.914 31.823 -0.024 0.000 0.984 2123 V HN 0.572 nan 8.190 nan 0.000 0.451 2124 K N 3.931 124.224 120.400 -0.178 0.000 2.379 2124 K HA 0.175 4.496 4.320 0.001 0.000 0.284 2124 K C 0.100 176.554 176.600 -0.244 0.000 1.044 2124 K CA -0.209 55.923 56.287 -0.259 0.000 0.974 2124 K CB 0.756 33.048 32.500 -0.347 0.000 0.962 2124 K HN 0.623 nan 8.250 nan 0.000 0.474 2125 K N 1.741 121.995 120.400 -0.244 0.000 2.412 2125 K HA 0.070 4.391 4.320 0.001 0.000 0.284 2125 K C 0.328 176.691 176.600 -0.396 0.000 1.046 2125 K CA -0.089 56.038 56.287 -0.267 0.000 0.999 2125 K CB 0.396 32.761 32.500 -0.224 0.000 0.941 2125 K HN 0.699 nan 8.250 nan 0.000 0.474 2126 G N 3.198 111.665 108.800 -0.555 0.000 2.484 2126 G HA2 -0.097 3.864 3.960 0.001 0.000 0.235 2126 G HA3 -0.097 3.864 3.960 0.001 0.000 0.235 2126 G C 0.189 174.582 174.900 -0.846 0.000 1.282 2126 G CA -0.403 44.113 45.100 -0.974 0.000 0.857 2126 G HN 0.816 nan 8.290 nan 0.000 0.571 2127 Q N 0.619 120.073 119.800 -0.577 0.000 2.364 2127 Q HA -0.048 4.293 4.340 0.001 0.000 0.207 2127 Q C 1.715 177.627 176.000 -0.148 0.000 0.970 2127 Q CA 1.434 57.092 55.803 -0.241 0.000 0.888 2127 Q CB -0.166 28.565 28.738 -0.012 0.000 0.951 2127 Q HN 0.824 nan 8.270 nan 0.000 0.469 2128 F N -2.605 117.354 119.950 0.015 0.000 2.749 2128 F HA 0.326 4.854 4.527 0.001 0.000 0.300 2128 F C 0.332 176.113 175.800 -0.033 0.000 1.103 2128 F CA -0.856 57.148 58.000 0.008 0.000 1.342 2128 F CB -0.042 38.978 39.000 0.033 0.000 1.098 2128 F HN -0.106 nan 8.300 nan 0.000 0.586 2129 L N 1.994 123.013 121.223 -0.339 0.000 2.326 2129 L HA 0.714 5.055 4.340 0.001 0.000 0.278 2129 L C 0.222 176.939 176.870 -0.255 0.000 1.092 2129 L CA -1.088 53.629 54.840 -0.205 0.000 0.810 2129 L CB 0.894 42.754 42.059 -0.331 0.000 1.153 2129 L HN 0.214 nan 8.230 nan 0.000 0.439 2130 A N 6.003 128.642 122.820 -0.301 0.000 2.302 2130 A HA 0.559 4.880 4.320 0.001 0.000 0.285 2130 A C -1.834 175.319 177.584 -0.717 0.000 1.105 2130 A CA -1.143 50.507 52.037 -0.645 0.000 0.816 2130 A CB -0.039 18.436 19.000 -0.875 0.000 1.067 2130 A HN 0.756 nan 8.150 nan 0.000 0.489 2131 P HA -0.193 nan 4.420 nan 0.000 0.215 2131 P C 0.995 178.267 177.300 -0.047 0.000 1.157 2131 P CA 2.213 65.087 63.100 -0.376 0.000 0.874 2131 P CB -0.152 31.365 31.700 -0.306 0.000 0.790 2132 W N -0.435 121.004 121.300 0.232 0.000 2.465 2132 W HA 0.001 4.662 4.660 0.002 0.000 0.268 2132 W C 0.901 177.480 176.519 0.100 0.000 1.242 2132 W CA 0.640 58.177 57.345 0.321 0.000 1.248 2132 W CB -1.825 27.764 29.460 0.216 0.000 1.118 2132 W HN -0.104 nan 8.180 nan 0.000 0.587 2133 D N 0.837 121.237 120.400 -0.000 0.000 2.363 2133 D HA -0.088 4.553 4.640 0.001 0.000 0.226 2133 D C 1.989 178.244 176.300 -0.075 0.000 1.020 2133 D CA 1.703 55.697 54.000 -0.010 0.000 0.892 2133 D CB -0.299 40.485 40.800 -0.027 0.000 0.900 2133 D HN 0.389 nan 8.370 nan 0.000 0.531 2134 T N -2.195 112.337 114.554 -0.037 0.000 3.088 2134 T HA -0.021 4.330 4.350 0.001 0.000 0.259 2134 T C 1.717 176.243 174.700 -0.290 0.000 1.122 2134 T CA 0.292 62.374 62.100 -0.030 0.000 1.095 2134 T CB 0.275 69.252 68.868 0.182 0.000 0.930 2134 T HN 0.037 nan 8.240 nan 0.000 0.508 2135 K N 1.639 121.586 120.400 -0.755 0.000 2.063 2135 K HA -0.134 4.187 4.320 0.001 0.000 0.208 2135 K C 2.101 178.360 176.600 -0.569 0.000 1.048 2135 K CA 1.689 57.179 56.287 -1.328 0.000 0.928 2135 K CB -0.365 31.196 32.500 -1.565 0.000 0.713 2135 K HN 0.500 nan 8.250 nan 0.000 0.442 2136 N N -0.187 118.306 118.700 -0.344 0.000 2.223 2136 N HA -0.142 4.598 4.740 0.001 0.000 0.185 2136 N C 1.699 177.128 175.510 -0.135 0.000 1.016 2136 N CA 0.994 53.929 53.050 -0.192 0.000 0.863 2136 N CB 0.105 38.518 38.487 -0.123 0.000 0.983 2136 N HN -0.015 nan 8.380 nan 0.000 0.429 2137 V N 0.717 120.557 119.914 -0.123 0.000 2.295 2137 V HA -0.181 3.940 4.120 0.001 0.000 0.246 2137 V C 2.248 178.314 176.094 -0.047 0.000 1.049 2137 V CA 1.302 63.565 62.300 -0.061 0.000 1.024 2137 V CB -0.417 31.383 31.823 -0.038 0.000 0.648 2137 V HN 0.135 nan 8.190 nan 0.000 0.447 2138 V N 0.112 119.981 119.914 -0.075 0.000 2.343 2138 V HA -0.294 3.827 4.120 0.001 0.000 0.247 2138 V C 2.473 178.555 176.094 -0.020 0.000 1.051 2138 V CA 2.325 64.609 62.300 -0.027 0.000 1.036 2138 V CB -0.628 31.192 31.823 -0.006 0.000 0.654 2138 V HN 0.703 nan 8.190 nan 0.000 0.451 2139 E N 0.364 120.526 120.200 -0.063 0.000 2.110 2139 E HA -0.267 4.084 4.350 0.001 0.000 0.193 2139 E C 2.249 178.869 176.600 0.034 0.000 0.988 2139 E CA 1.414 57.801 56.400 -0.022 0.000 0.804 2139 E CB -0.049 29.611 29.700 -0.067 0.000 0.745 2139 E HN 0.590 nan 8.360 nan 0.000 0.458 2140 K N 0.241 120.645 120.400 0.007 0.000 2.026 2140 K HA -0.138 4.183 4.320 0.001 0.000 0.208 2140 K C 2.340 179.012 176.600 0.121 0.000 1.048 2140 K CA 1.383 57.697 56.287 0.045 0.000 0.929 2140 K CB -0.171 32.333 32.500 0.005 0.000 0.713 2140 K HN 0.215 nan 8.250 nan 0.000 0.439 2141 L N 1.176 122.442 121.223 0.072 0.000 2.046 2141 L HA -0.207 4.133 4.340 0.001 0.000 0.208 2141 L C 2.334 179.249 176.870 0.075 0.000 1.077 2141 L CA 1.376 56.257 54.840 0.069 0.000 0.747 2141 L CB -0.329 41.755 42.059 0.042 0.000 0.896 2141 L HN 0.155 nan 8.230 nan 0.000 0.432 2142 K N -0.590 119.855 120.400 0.076 0.000 2.097 2142 K HA -0.201 4.120 4.320 0.001 0.000 0.206 2142 K C 2.091 178.741 176.600 0.083 0.000 1.049 2142 K CA 1.423 57.748 56.287 0.064 0.000 0.933 2142 K CB -0.290 32.245 32.500 0.059 0.000 0.717 2142 K HN 0.111 nan 8.250 nan 0.000 0.442 2143 F N 1.429 121.374 119.950 -0.008 0.000 2.161 2143 F HA -0.111 4.417 4.527 0.001 0.000 0.300 2143 F C 1.868 177.668 175.800 -0.001 0.000 1.089 2143 F CA 1.657 59.653 58.000 -0.005 0.000 1.282 2143 F CB -0.364 38.631 39.000 -0.008 0.000 1.010 2143 F HN -0.024 nan 8.300 nan 0.000 0.485 2144 G N -1.248 107.604 108.800 0.087 0.000 2.920 2144 G HA2 0.292 4.253 3.960 0.001 0.000 0.208 2144 G HA3 0.292 4.253 3.960 0.001 0.000 0.208 2144 G C 1.315 176.187 174.900 -0.047 0.000 1.159 2144 G CA 0.352 45.454 45.100 0.003 0.000 0.784 2144 G HN 0.976 nan 8.290 nan 0.000 0.535 2145 G N -1.376 107.389 108.800 -0.058 0.000 2.176 2145 G HA2 0.105 4.066 3.960 0.001 0.000 0.232 2145 G HA3 0.105 4.066 3.960 0.001 0.000 0.232 2145 G C 0.586 175.477 174.900 -0.015 0.000 0.986 2145 G CA 0.150 45.222 45.100 -0.048 0.000 0.643 2145 G HN 1.342 nan 8.290 nan 0.000 0.522 2146 A N 0.074 122.896 122.820 0.004 0.000 2.511 2146 A HA 0.622 4.943 4.320 0.001 0.000 0.242 2146 A C 1.318 178.903 177.584 0.002 0.000 1.069 2146 A CA 1.154 53.197 52.037 0.010 0.000 0.763 2146 A CB 0.407 19.420 19.000 0.022 0.000 1.001 2146 A HN 0.248 nan 8.150 nan 0.000 0.498 2147 K N 1.093 121.492 120.400 -0.002 0.000 2.344 2147 K HA 0.112 4.433 4.320 0.001 0.000 0.200 2147 K C 0.230 176.808 176.600 -0.037 0.000 1.132 2147 K CA 0.435 56.714 56.287 -0.012 0.000 0.935 2147 K CB 0.399 32.895 32.500 -0.006 0.000 1.089 2147 K HN 0.830 nan 8.250 nan 0.000 0.496 2148 E N 1.692 121.869 120.200 -0.038 0.000 2.055 2148 E HA 0.319 4.670 4.350 0.001 0.000 0.274 2148 E C -1.121 175.393 176.600 -0.144 0.000 0.949 2148 E CA -0.187 56.149 56.400 -0.107 0.000 0.775 2148 E CB 0.456 30.147 29.700 -0.015 0.000 1.097 2148 E HN 0.062 nan 8.360 nan 0.000 0.404 2149 I N 4.399 124.807 120.570 -0.269 0.000 2.509 2149 I HA 0.349 4.520 4.170 0.001 0.000 0.293 2149 I C -1.085 174.822 176.117 -0.349 0.000 1.020 2149 I CA -0.867 60.325 61.300 -0.181 0.000 1.088 2149 I CB 1.228 39.195 38.000 -0.055 0.000 1.267 2149 I HN 0.475 nan 8.210 nan 0.000 0.430 2150 Y N 5.484 125.790 120.300 0.010 0.000 2.499 2150 Y HA 0.669 5.220 4.550 0.001 0.000 0.347 2150 Y C -0.551 175.342 175.900 -0.011 0.000 0.987 2150 Y CA -0.856 57.241 58.100 -0.005 0.000 1.044 2150 Y CB 1.907 40.353 38.460 -0.023 0.000 1.245 2150 Y HN 0.254 nan 8.280 nan 0.000 0.461 2151 L N 2.460 123.770 121.223 0.145 0.000 2.356 2151 L HA 0.565 4.906 4.340 0.001 0.000 0.277 2151 L C -0.738 176.138 176.870 0.010 0.000 0.996 2151 L CA -0.554 54.321 54.840 0.059 0.000 0.822 2151 L CB 2.123 44.226 42.059 0.074 0.000 1.256 2151 L HN 0.653 nan 8.230 nan 0.000 0.413 2152 T N 1.297 115.809 114.554 -0.069 0.000 2.771 2152 T HA 0.224 4.575 4.350 0.001 0.000 0.281 2152 T C -0.302 174.296 174.700 -0.170 0.000 0.982 2152 T CA -0.421 61.596 62.100 -0.138 0.000 0.978 2152 T CB 1.534 70.246 68.868 -0.260 0.000 0.930 2152 T HN 0.406 nan 8.240 nan 0.000 0.447 2153 E N 2.736 122.862 120.200 -0.122 0.000 2.223 2153 E HA 0.273 4.624 4.350 0.001 0.000 0.282 2153 E C 0.459 176.933 176.600 -0.210 0.000 1.046 2153 E CA -0.531 55.795 56.400 -0.123 0.000 0.857 2153 E CB 0.446 30.142 29.700 -0.005 0.000 1.055 2153 E HN 0.616 nan 8.360 nan 0.000 0.409 2154 R N 3.037 123.395 120.500 -0.237 0.000 2.592 2154 R HA 0.496 4.837 4.340 0.001 0.000 0.439 2154 R C 0.125 176.313 176.300 -0.187 0.000 0.995 2154 R CA -0.189 55.757 56.100 -0.256 0.000 1.141 2154 R CB 0.076 30.186 30.300 -0.317 0.000 1.495 2154 R HN 0.647 nan 8.270 nan 0.000 0.579 2155 G N -0.012 108.686 108.800 -0.170 0.000 2.663 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 -0.873 173.940 174.900 -0.145 0.000 1.246 2155 G CA -0.453 44.562 45.100 -0.141 0.000 0.795 2155 G HN 0.185 nan 8.290 nan 0.000 0.627 2156 T N 0.997 115.487 114.554 -0.107 0.000 2.893 2156 T HA 0.660 5.011 4.350 0.001 0.000 0.291 2156 T C 0.476 175.188 174.700 0.020 0.000 1.028 2156 T CA -0.037 62.018 62.100 -0.075 0.000 0.995 2156 T CB 1.689 70.502 68.868 -0.091 0.000 1.051 2156 T HN 0.873 nan 8.240 nan 0.000 0.470 2157 T N 2.938 117.524 114.554 0.054 0.000 2.871 2157 T HA 0.168 4.518 4.350 0.001 0.000 0.296 2157 T C -0.748 174.052 174.700 0.168 0.000 0.998 2157 T CA 0.535 62.701 62.100 0.110 0.000 1.162 2157 T CB -0.423 68.513 68.868 0.113 0.000 0.947 2157 T HN 0.425 nan 8.240 nan 0.000 0.536 2158 F N 3.865 123.802 119.950 -0.022 0.000 2.824 2158 F HA 0.518 5.046 4.527 0.001 0.000 0.375 2158 F C 0.664 176.427 175.800 -0.060 0.000 1.190 2158 F CA 0.131 58.105 58.000 -0.043 0.000 1.180 2158 F CB -0.048 38.929 39.000 -0.039 0.000 1.477 2158 F HN 0.929 nan 8.300 nan 0.000 0.542 2159 G N 2.897 111.450 108.800 -0.411 0.000 2.598 2159 G HA2 -0.292 3.669 3.960 0.001 0.000 0.244 2159 G HA3 -0.292 3.669 3.960 0.001 0.000 0.244 2159 G C -1.314 173.410 174.900 -0.293 0.000 1.302 2159 G CA -0.317 44.485 45.100 -0.497 0.000 0.903 2159 G HN 0.527 nan 8.290 nan 0.000 0.575 2160 Y N 1.581 121.847 120.300 -0.057 0.000 2.310 2160 Y HA 0.475 5.025 4.550 0.001 0.000 0.326 2160 Y C 1.448 177.360 175.900 0.021 0.000 1.151 2160 Y CA -0.470 57.625 58.100 -0.008 0.000 1.195 2160 Y CB 0.979 39.432 38.460 -0.012 0.000 1.210 2160 Y HN 0.644 nan 8.280 nan 0.000 0.483 2161 N N 1.838 120.672 118.700 0.224 0.000 2.721 2161 N HA -0.323 4.417 4.740 0.001 0.000 0.249 2161 N C -0.809 174.782 175.510 0.136 0.000 1.072 2161 N CA 1.041 54.181 53.050 0.150 0.000 0.710 2161 N CB -1.089 37.470 38.487 0.121 0.000 0.993 2161 N HN 0.893 nan 8.380 nan 0.000 0.547 2162 N N -0.447 118.339 118.700 0.144 0.000 2.504 2162 N HA 0.565 5.305 4.740 0.001 0.000 0.268 2162 N C -1.537 174.072 175.510 0.164 0.000 1.184 2162 N CA -0.544 52.598 53.050 0.153 0.000 0.875 2162 N CB 1.587 40.189 38.487 0.192 0.000 1.630 2162 N HN -0.015 nan 8.380 nan 0.000 0.486 2163 L N 1.969 123.266 121.223 0.123 0.000 2.388 2163 L HA 0.689 5.030 4.340 0.001 0.000 0.264 2163 L C -0.826 176.041 176.870 -0.005 0.000 0.998 2163 L CA -0.976 53.909 54.840 0.075 0.000 0.817 2163 L CB 2.109 44.185 42.059 0.029 0.000 1.338 2163 L HN 0.288 nan 8.230 nan 0.000 0.414 2164 V N 2.767 122.633 119.914 -0.081 0.000 2.823 2164 V HA 0.582 4.703 4.120 0.001 0.000 0.312 2164 V C -0.898 175.071 176.094 -0.209 0.000 1.072 2164 V CA -0.489 61.669 62.300 -0.236 0.000 0.937 2164 V CB 2.593 34.096 31.823 -0.532 0.000 1.013 2164 V HN 0.405 nan 8.190 nan 0.000 0.430 2165 V N 4.952 124.721 119.914 -0.241 0.000 2.328 2165 V HA 0.380 4.501 4.120 0.001 0.000 0.278 2165 V C -0.380 175.463 176.094 -0.420 0.000 1.021 2165 V CA -0.457 61.622 62.300 -0.367 0.000 0.838 2165 V CB 1.384 32.904 31.823 -0.504 0.000 0.999 2165 V HN 0.920 nan 8.190 nan 0.000 0.447 2166 D N 4.103 124.297 120.400 -0.343 0.000 2.441 2166 D HA 0.238 4.879 4.640 0.001 0.000 0.221 2166 D C 0.719 176.875 176.300 -0.240 0.000 1.156 2166 D CA -0.342 53.531 54.000 -0.211 0.000 0.896 2166 D CB 0.553 41.267 40.800 -0.144 0.000 1.028 2166 D HN 0.403 nan 8.370 nan 0.000 0.509 2167 F N 1.930 121.831 119.950 -0.082 0.000 2.583 2167 F HA -0.016 4.512 4.527 0.001 0.000 0.297 2167 F C 2.240 178.000 175.800 -0.067 0.000 1.131 2167 F CA 0.445 58.392 58.000 -0.089 0.000 1.467 2167 F CB 0.032 38.964 39.000 -0.114 0.000 1.097 2167 F HN 0.278 nan 8.300 nan 0.000 0.586 2168 R N -0.188 120.357 120.500 0.075 0.000 2.189 2168 R HA -0.134 4.207 4.340 0.001 0.000 0.223 2168 R C 2.481 178.792 176.300 0.019 0.000 1.092 2168 R CA 1.281 57.415 56.100 0.056 0.000 0.989 2168 R CB -0.527 29.816 30.300 0.072 0.000 0.876 2168 R HN 0.355 nan 8.270 nan 0.000 0.457 2169 S N 0.681 116.360 115.700 -0.036 0.000 2.399 2169 S HA -0.123 4.348 4.470 0.001 0.000 0.231 2169 S C 1.855 176.417 174.600 -0.065 0.000 1.022 2169 S CA 0.777 58.934 58.200 -0.072 0.000 0.983 2169 S CB -0.179 62.941 63.200 -0.133 0.000 0.803 2169 S HN 0.057 nan 8.310 nan 0.000 0.480 2170 L N 2.856 124.055 121.223 -0.040 0.000 1.970 2170 L HA 0.020 4.361 4.340 0.001 0.000 0.212 2170 L C -0.339 176.479 176.870 -0.087 0.000 1.071 2170 L CA 2.025 56.840 54.840 -0.042 0.000 0.751 2170 L CB -1.731 40.333 42.059 0.008 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 0.220 2171 P C 2.030 179.235 177.300 -0.158 0.000 1.148 2171 P CA 1.561 64.601 63.100 -0.100 0.000 0.803 2171 P CB 0.082 31.751 31.700 -0.052 0.000 0.782 2172 I N -0.704 119.787 120.570 -0.133 0.000 2.163 2172 I HA -0.184 3.987 4.170 0.001 0.000 0.240 2172 I C 2.731 178.540 176.117 -0.513 0.000 1.081 2172 I CA 1.493 62.677 61.300 -0.193 0.000 1.353 2172 I CB -0.628 37.385 38.000 0.023 0.000 1.054 2172 I HN -0.160 nan 8.210 nan 0.000 0.407 2173 M N 0.206 119.589 119.600 -0.362 0.000 2.296 2173 M HA -0.161 4.320 4.480 0.001 0.000 0.265 2173 M C 2.131 178.051 176.300 -0.633 0.000 1.064 2173 M CA 1.164 56.184 55.300 -0.467 0.000 1.109 2173 M CB -0.358 32.179 32.600 -0.105 0.000 1.396 2173 M HN 0.004 nan 8.290 nan 0.000 0.430 2174 K N 1.191 121.337 120.400 -0.423 0.000 2.280 2174 K HA -0.143 4.178 4.320 0.001 0.000 0.202 2174 K C 1.636 178.008 176.600 -0.379 0.000 1.047 2174 K CA 1.448 57.550 56.287 -0.308 0.000 0.942 2174 K CB -0.182 32.198 32.500 -0.200 0.000 0.739 2174 K HN 0.434 nan 8.250 nan 0.000 0.457 2175 Q N -1.220 118.195 119.800 -0.642 0.000 2.291 2175 Q HA -0.131 4.210 4.340 0.001 0.000 0.206 2175 Q C 0.584 176.436 176.000 -0.247 0.000 0.976 2175 Q CA 1.626 57.128 55.803 -0.502 0.000 0.875 2175 Q CB -0.078 28.253 28.738 -0.679 0.000 0.927 2175 Q HN 0.664 nan 8.270 nan 0.000 0.450 2176 W N -2.452 118.851 121.300 0.004 0.000 2.324 2176 W HA 0.712 5.373 4.660 0.001 0.000 0.316 2176 W C -0.172 176.331 176.519 -0.027 0.000 0.927 2176 W CA -0.230 57.112 57.345 -0.005 0.000 1.438 2176 W CB 0.262 29.726 29.460 0.006 0.000 1.085 2176 W HN -0.090 nan 8.180 nan 0.000 0.532 2177 A N 0.716 123.563 122.820 0.045 0.000 2.566 2177 A HA 0.594 4.915 4.320 0.001 0.000 0.290 2177 A C -1.076 176.473 177.584 -0.058 0.000 1.071 2177 A CA -1.242 50.807 52.037 0.020 0.000 0.658 2177 A CB 0.923 19.988 19.000 0.109 0.000 1.285 2177 A HN 0.030 nan 8.150 nan 0.000 0.427 2178 K N 0.395 120.734 120.400 -0.101 0.000 2.270 2178 K HA 0.509 4.830 4.320 0.001 0.000 0.276 2178 K C -0.815 175.818 176.600 0.054 0.000 1.023 2178 K CA -0.246 56.014 56.287 -0.046 0.000 0.955 2178 K CB 1.233 33.673 32.500 -0.100 0.000 0.975 2178 K HN 0.375 nan 8.250 nan 0.000 0.471 2179 V N 4.695 124.637 119.914 0.045 0.000 2.459 2179 V HA 0.341 4.462 4.120 0.001 0.000 0.295 2179 V C -0.135 175.994 176.094 0.058 0.000 1.029 2179 V CA -0.884 61.443 62.300 0.044 0.000 0.874 2179 V CB 1.322 33.139 31.823 -0.009 0.000 0.985 2179 V HN 0.582 nan 8.190 nan 0.000 0.438 2180 I N 4.197 124.796 120.570 0.049 0.000 2.530 2180 I HA 0.385 4.556 4.170 0.001 0.000 0.297 2180 I C -0.815 175.338 176.117 0.060 0.000 1.011 2180 I CA -0.830 60.481 61.300 0.017 0.000 1.107 2180 I CB 1.766 39.739 38.000 -0.046 0.000 1.285 2180 I HN 0.684 nan 8.210 nan 0.000 0.436 2181 Y N 4.915 125.211 120.300 -0.007 0.000 2.331 2181 Y HA 0.326 4.876 4.550 0.001 0.000 0.338 2181 Y C -0.071 175.855 175.900 0.044 0.000 0.976 2181 Y CA -0.845 57.263 58.100 0.013 0.000 1.137 2181 Y CB 0.836 39.349 38.460 0.089 0.000 1.172 2181 Y HN 0.502 nan 8.280 nan 0.000 0.478 2182 D N 5.172 125.139 120.400 -0.722 0.000 2.393 2182 D HA 0.239 4.880 4.640 0.001 0.000 0.232 2182 D C 0.518 176.303 176.300 -0.859 0.000 1.192 2182 D CA 0.300 53.966 54.000 -0.557 0.000 0.882 2182 D CB 1.296 41.776 40.800 -0.532 0.000 1.038 2182 D HN 0.797 nan 8.370 nan 0.000 0.499 2183 A N 3.127 125.643 122.820 -0.506 0.000 2.119 2183 A HA -0.041 4.280 4.320 0.001 0.000 0.216 2183 A C 1.900 179.446 177.584 -0.063 0.000 1.152 2183 A CA 0.939 52.845 52.037 -0.217 0.000 0.708 2183 A CB 0.071 19.149 19.000 0.131 0.000 0.805 2183 A HN 0.557 nan 8.150 nan 0.000 0.460 2184 T N -0.939 113.561 114.554 -0.090 0.000 2.837 2184 T HA -0.011 4.340 4.350 0.001 0.000 0.248 2184 T C 1.642 176.208 174.700 -0.224 0.000 1.033 2184 T CA 1.599 63.603 62.100 -0.160 0.000 1.150 2184 T CB -0.394 68.317 68.868 -0.262 0.000 0.865 2184 T HN 0.700 nan 8.240 nan 0.000 0.425 2185 H N 0.803 119.839 119.070 -0.057 0.000 2.529 2185 H HA 0.220 4.777 4.556 0.001 0.000 0.277 2185 H C 2.386 177.659 175.328 -0.092 0.000 0.999 2185 H CA 0.727 56.724 56.048 -0.085 0.000 1.256 2185 H CB -0.022 29.647 29.762 -0.155 0.000 1.402 2185 H HN 0.167 nan 8.280 nan 0.000 0.566 2186 S N 0.218 115.899 115.700 -0.030 0.000 2.447 2186 S HA -0.099 4.372 4.470 0.001 0.000 0.233 2186 S C 2.005 176.627 174.600 0.037 0.000 1.006 2186 S CA 1.150 59.335 58.200 -0.024 0.000 0.957 2186 S CB -0.056 63.125 63.200 -0.031 0.000 0.773 2186 S HN 0.484 nan 8.310 nan 0.000 0.507 2187 V N -1.130 118.825 119.914 0.067 0.000 3.621 2187 V HA 0.278 4.399 4.120 0.001 0.000 0.285 2187 V C 0.280 176.438 176.094 0.107 0.000 1.346 2187 V CA -0.310 62.059 62.300 0.115 0.000 1.104 2187 V CB -0.552 31.387 31.823 0.194 0.000 0.913 2187 V HN 0.245 nan 8.190 nan 0.000 0.432 2188 Q N 1.136 120.982 119.800 0.076 0.000 2.394 2188 Q HA 0.561 4.902 4.340 0.001 0.000 0.248 2188 Q C -0.799 175.254 176.000 0.088 0.000 0.992 2188 Q CA -0.109 55.742 55.803 0.081 0.000 0.888 2188 Q CB 1.720 30.508 28.738 0.084 0.000 1.257 2188 Q HN 0.490 nan 8.270 nan 0.000 0.462 2189 L N 3.964 125.242 121.223 0.093 0.000 2.283 2189 L HA 0.367 4.708 4.340 0.001 0.000 0.281 2189 L C -2.162 174.766 176.870 0.096 0.000 1.033 2189 L CA -2.213 52.685 54.840 0.097 0.000 0.848 2189 L CB 0.672 42.789 42.059 0.098 0.000 1.226 2189 L HN 0.327 nan 8.230 nan 0.000 0.429 2190 P HA 0.074 nan 4.420 nan 0.000 0.263 2190 P C 0.588 177.948 177.300 0.100 0.000 1.175 2190 P CA 0.662 63.831 63.100 0.116 0.000 0.761 2190 P CB 0.573 32.358 31.700 0.141 0.000 0.794 2200 M N 1.205 120.911 119.600 0.176 0.000 2.088 2200 M HA 0.472 4.953 4.480 0.001 0.000 0.346 2200 M C 1.414 177.746 176.300 0.053 0.000 1.111 2200 M CA -0.535 54.827 55.300 0.102 0.000 1.017 2200 M CB 1.710 34.372 32.600 0.104 0.000 1.568 2200 M HN 0.662 nan 8.290 nan 0.000 0.445 2201 R N 2.535 123.030 120.500 -0.008 0.000 2.152 2201 R HA -0.172 4.169 4.340 0.001 0.000 0.232 2201 R C 1.512 177.786 176.300 -0.044 0.000 1.117 2201 R CA 1.943 58.039 56.100 -0.005 0.000 0.981 2201 R CB 0.071 30.360 30.300 -0.018 0.000 0.870 2201 R HN 0.877 nan 8.270 nan 0.000 0.451 2202 E N -0.624 119.460 120.200 -0.194 0.000 2.333 2202 E HA -0.192 4.158 4.350 0.001 0.000 0.198 2202 E C 0.675 177.091 176.600 -0.306 0.000 1.007 2202 E CA 0.961 57.174 56.400 -0.312 0.000 0.845 2202 E CB -0.159 29.222 29.700 -0.531 0.000 0.766 2202 E HN 0.391 nan 8.360 nan 0.000 0.507 2203 F N 0.562 120.562 119.950 0.083 0.000 2.749 2203 F HA 0.319 4.847 4.527 0.001 0.000 0.300 2203 F C 1.826 177.709 175.800 0.139 0.000 1.103 2203 F CA -0.506 57.552 58.000 0.095 0.000 1.342 2203 F CB -0.030 39.020 39.000 0.082 0.000 1.098 2203 F HN -0.054 nan 8.300 nan 0.000 0.586 2204 I N -0.407 120.326 120.570 0.273 0.000 2.099 2204 I HA -0.376 3.795 4.170 0.001 0.000 0.239 2204 I C 2.550 178.871 176.117 0.341 0.000 1.066 2204 I CA 1.900 63.356 61.300 0.260 0.000 1.324 2204 I CB -0.530 37.564 38.000 0.156 0.000 1.037 2204 I HN 0.138 nan 8.210 nan 0.000 0.401 2205 F N 1.943 121.959 119.950 0.110 0.000 2.102 2205 F HA -0.161 4.366 4.527 0.001 0.000 0.298 2205 F C -0.353 175.503 175.800 0.093 0.000 1.105 2205 F CA 1.202 59.256 58.000 0.089 0.000 1.239 2205 F CB -1.055 37.975 39.000 0.049 0.000 0.991 2205 F HN 0.022 nan 8.300 nan 0.000 0.474 2206 P HA -0.213 nan 4.420 nan 0.000 0.215 2206 P C 1.732 179.057 177.300 0.040 0.000 1.157 2206 P CA 1.646 64.745 63.100 -0.002 0.000 0.874 2206 P CB -0.112 31.643 31.700 0.092 0.000 0.790 2207 L N -1.706 119.623 121.223 0.176 0.000 2.217 2207 L HA -0.094 4.247 4.340 0.001 0.000 0.211 2207 L C 2.395 179.337 176.870 0.119 0.000 1.107 2207 L CA 1.015 55.970 54.840 0.191 0.000 0.783 2207 L CB -0.681 41.602 42.059 0.374 0.000 0.919 2207 L HN -0.040 nan 8.230 nan 0.000 0.442 2208 I N -0.291 120.439 120.570 0.267 0.000 2.252 2208 I HA -0.265 3.906 4.170 0.001 0.000 0.245 2208 I C 2.745 178.928 176.117 0.110 0.000 1.102 2208 I CA 1.175 62.651 61.300 0.292 0.000 1.385 2208 I CB -0.242 38.005 38.000 0.411 0.000 1.064 2208 I HN 0.244 nan 8.210 nan 0.000 0.414 2209 R N 0.719 121.245 120.500 0.043 0.000 2.081 2209 R HA -0.130 4.211 4.340 0.001 0.000 0.235 2209 R C 2.447 178.654 176.300 -0.155 0.000 1.131 2209 R CA 1.455 57.516 56.100 -0.065 0.000 0.960 2209 R CB -0.476 29.714 30.300 -0.183 0.000 0.856 2209 R HN 0.348 nan 8.270 nan 0.000 0.436 2210 A N 1.561 124.217 122.820 -0.272 0.000 1.877 2210 A HA -0.135 4.186 4.320 0.001 0.000 0.216 2210 A C 2.436 179.694 177.584 -0.543 0.000 1.186 2210 A CA 1.732 53.447 52.037 -0.536 0.000 0.620 2210 A CB -0.691 17.745 19.000 -0.939 0.000 0.822 2210 A HN 0.390 nan 8.150 nan 0.000 0.443 2211 A N -0.029 122.551 122.820 -0.400 0.000 1.892 2211 A HA -0.097 4.224 4.320 0.001 0.000 0.218 2211 A C 2.344 179.893 177.584 -0.060 0.000 1.188 2211 A CA 2.695 54.620 52.037 -0.185 0.000 0.631 2211 A CB -1.369 17.439 19.000 -0.319 0.000 0.822 2211 A HN 1.202 nan 8.150 nan 0.000 0.447 2212 V N -2.741 117.170 119.914 -0.005 0.000 2.667 2212 V HA 0.076 4.196 4.120 0.001 0.000 0.252 2212 V C 2.469 178.626 176.094 0.105 0.000 1.065 2212 V CA 1.625 63.964 62.300 0.066 0.000 1.083 2212 V CB -1.341 30.508 31.823 0.043 0.000 0.692 2212 V HN 0.522 nan 8.190 nan 0.000 0.468 2213 A N 0.474 123.298 122.820 0.008 0.000 1.930 2213 A HA -0.019 4.302 4.320 0.001 0.000 0.217 2213 A C 2.343 179.988 177.584 0.101 0.000 1.175 2213 A CA 1.992 54.054 52.037 0.043 0.000 0.627 2213 A CB -0.697 18.254 19.000 -0.082 0.000 0.815 2213 A HN 0.428 nan 8.150 nan 0.000 0.443 2214 V N -0.886 119.003 119.914 -0.042 0.000 2.323 2214 V HA 0.270 4.391 4.120 0.001 0.000 0.244 2214 V C 1.331 177.336 176.094 -0.149 0.000 1.041 2214 V CA 1.402 63.669 62.300 -0.055 0.000 1.025 2214 V CB -1.179 30.593 31.823 -0.086 0.000 0.656 2214 V HN 1.253 nan 8.190 nan 0.000 0.451 2215 G N -0.392 108.232 108.800 -0.292 0.000 3.313 2215 G HA2 0.113 4.074 3.960 0.001 0.000 0.659 2215 G HA3 0.113 4.074 3.960 0.001 0.000 0.659 2215 G C -0.777 173.900 174.900 -0.372 0.000 1.286 2215 G CA -0.648 43.957 45.100 -0.825 0.000 1.077 2215 G HN 0.991 nan 8.290 nan 0.000 0.551 2216 C N 0.288 119.481 119.300 -0.179 0.000 3.285 2216 C HA 0.884 5.345 4.460 0.001 0.000 0.320 2216 C C 0.578 175.633 174.990 0.108 0.000 1.411 2216 C CA -0.516 58.502 59.018 -0.000 0.000 1.429 2216 C CB 1.879 29.681 27.740 0.104 0.000 1.812 2216 C HN 0.635 nan 8.230 nan 0.000 0.454 2217 D N 0.225 120.657 120.400 0.054 0.000 2.360 2217 D HA 0.389 5.030 4.640 0.001 0.000 0.210 2217 D C 0.747 176.864 176.300 -0.306 0.000 1.047 2217 D CA 1.245 55.260 54.000 0.025 0.000 0.854 2217 D CB 1.004 41.834 40.800 0.050 0.000 0.936 2217 D HN 1.067 nan 8.370 nan 0.000 0.514 2218 G N -0.306 108.245 108.800 -0.415 0.000 2.368 2218 G HA2 0.397 4.358 3.960 0.001 0.000 0.293 2218 G HA3 0.397 4.358 3.960 0.001 0.000 0.293 2218 G C -1.787 172.911 174.900 -0.335 0.000 1.467 2218 G CA -0.522 44.045 45.100 -0.889 0.000 0.804 2218 G HN -0.058 nan 8.290 nan 0.000 0.535 2219 V N 0.164 119.907 119.914 -0.286 0.000 2.823 2219 V HA 0.762 4.883 4.120 0.001 0.000 0.312 2219 V C -1.261 174.840 176.094 0.011 0.000 1.072 2219 V CA -0.728 61.595 62.300 0.037 0.000 0.937 2219 V CB 1.968 33.915 31.823 0.206 0.000 1.013 2219 V HN 0.825 nan 8.190 nan 0.000 0.430 2220 F N 5.011 124.885 119.950 -0.127 0.000 2.467 2220 F HA 0.833 5.360 4.527 0.001 0.000 0.336 2220 F C -0.532 175.187 175.800 -0.135 0.000 1.123 2220 F CA -0.734 57.175 58.000 -0.151 0.000 0.964 2220 F CB 1.486 40.386 39.000 -0.167 0.000 1.136 2220 F HN 0.393 nan 8.300 nan 0.000 0.447 2221 M N 5.560 124.961 119.600 -0.332 0.000 2.271 2221 M HA 0.311 4.791 4.480 0.001 0.000 0.285 2221 M C -1.163 174.915 176.300 -0.371 0.000 1.059 2221 M CA -0.554 54.614 55.300 -0.220 0.000 0.940 2221 M CB 2.631 35.160 32.600 -0.119 0.000 1.636 2221 M HN 0.515 nan 8.290 nan 0.000 0.460 2222 E N 1.456 121.501 120.200 -0.259 0.000 2.283 2222 E HA 0.452 4.803 4.350 0.001 0.000 0.278 2222 E C -0.597 175.921 176.600 -0.137 0.000 1.027 2222 E CA -0.276 55.986 56.400 -0.230 0.000 0.843 2222 E CB 2.015 31.630 29.700 -0.140 0.000 1.062 2222 E HN 0.471 nan 8.360 nan 0.000 0.401 2223 T N 2.106 116.588 114.554 -0.120 0.000 2.900 2223 T HA 0.251 4.602 4.350 0.001 0.000 0.295 2223 T C -1.655 173.056 174.700 0.019 0.000 1.044 2223 T CA -0.628 61.442 62.100 -0.051 0.000 0.995 2223 T CB 1.172 69.997 68.868 -0.072 0.000 1.072 2223 T HN 0.446 nan 8.240 nan 0.000 0.473 2224 H N 3.464 122.503 119.070 -0.052 0.000 2.894 2224 H HA 0.360 4.917 4.556 0.002 0.000 0.367 2224 H C -2.462 172.854 175.328 -0.020 0.000 1.144 2224 H CA -1.736 54.295 56.048 -0.028 0.000 1.180 2224 H CB 2.732 32.480 29.762 -0.023 0.000 1.758 2224 H HN 0.328 nan 8.280 nan 0.000 0.541 2225 P HA -0.088 nan 4.420 nan 0.000 0.216 2225 P C -0.643 176.761 177.300 0.173 0.000 1.150 2225 P CA 1.459 64.583 63.100 0.041 0.000 0.843 2225 P CB 0.419 32.084 31.700 -0.058 0.000 0.787 2226 E N -2.490 117.976 120.200 0.443 0.000 3.117 2226 E HA 0.143 4.494 4.350 0.001 0.000 0.262 2226 E C -2.246 174.357 176.600 0.004 0.000 1.202 2226 E CA -1.521 54.999 56.400 0.201 0.000 0.853 2226 E CB 1.111 30.892 29.700 0.135 0.000 1.426 2226 E HN 0.064 nan 8.360 nan 0.000 0.387 2227 P HA -0.303 nan 4.420 nan 0.000 0.217 2227 P C 1.194 178.366 177.300 -0.212 0.000 1.151 2227 P CA 1.491 64.466 63.100 -0.209 0.000 0.849 2227 P CB 0.169 31.826 31.700 -0.072 0.000 0.787 2228 E N 0.397 120.528 120.200 -0.115 0.000 2.219 2228 E HA -0.220 4.131 4.350 0.001 0.000 0.198 2228 E C 1.182 177.718 176.600 -0.105 0.000 0.998 2228 E CA 1.264 57.613 56.400 -0.084 0.000 0.818 2228 E CB -0.727 28.946 29.700 -0.044 0.000 0.741 2228 E HN 0.315 nan 8.360 nan 0.000 0.477 2229 K N 0.454 120.764 120.400 -0.149 0.000 2.358 2229 K HA 0.323 4.644 4.320 0.001 0.000 0.200 2229 K C 0.245 176.715 176.600 -0.217 0.000 1.030 2229 K CA 0.077 56.286 56.287 -0.129 0.000 1.097 2229 K CB 0.994 33.467 32.500 -0.045 0.000 0.862 2229 K HN 0.115 nan 8.250 nan 0.000 0.534 2230 A N 1.119 123.696 122.820 -0.405 0.000 2.483 2230 A HA 0.076 4.396 4.320 0.001 0.000 0.238 2230 A C 0.923 178.408 177.584 -0.166 0.000 1.070 2230 A CA 0.016 51.811 52.037 -0.403 0.000 0.770 2230 A CB 0.110 18.840 19.000 -0.451 0.000 1.008 2230 A HN 0.305 nan 8.150 nan 0.000 0.497 2231 L N 1.227 122.377 121.223 -0.122 0.000 2.591 2231 L HA 0.116 4.457 4.340 0.001 0.000 0.228 2231 L C 0.667 177.579 176.870 0.070 0.000 1.133 2231 L CA 0.811 55.591 54.840 -0.101 0.000 0.880 2231 L CB -0.611 41.185 42.059 -0.439 0.000 1.033 2231 L HN 0.823 nan 8.230 nan 0.000 0.450 2232 S N -3.080 112.660 115.700 0.068 0.000 2.537 2232 S HA 0.309 4.780 4.470 0.001 0.000 0.271 2232 S C -0.553 174.080 174.600 0.055 0.000 1.148 2232 S CA -0.877 57.385 58.200 0.104 0.000 0.868 2232 S CB 1.863 65.171 63.200 0.179 0.000 1.115 2232 S HN 0.117 nan 8.310 nan 0.000 0.461 2233 D N 0.457 120.889 120.400 0.053 0.000 2.701 2233 D HA -0.181 4.459 4.640 0.001 0.000 0.235 2233 D C 1.263 177.551 176.300 -0.020 0.000 1.155 2233 D CA 1.165 55.179 54.000 0.024 0.000 0.649 2233 D CB -1.304 39.510 40.800 0.024 0.000 1.050 2233 D HN 0.893 nan 8.370 nan 0.000 0.425 2234 A N 0.046 122.846 122.820 -0.033 0.000 1.902 2234 A HA -0.168 4.153 4.320 0.001 0.000 0.217 2234 A C 2.194 179.745 177.584 -0.055 0.000 1.181 2234 A CA 2.053 54.045 52.037 -0.075 0.000 0.623 2234 A CB -0.396 18.561 19.000 -0.073 0.000 0.818 2234 A HN 0.532 nan 8.150 nan 0.000 0.443 2235 S N -1.047 114.637 115.700 -0.026 0.000 2.607 2235 S HA -0.023 4.448 4.470 0.001 0.000 0.224 2235 S C 1.299 175.891 174.600 -0.014 0.000 0.969 2235 S CA 1.415 59.605 58.200 -0.016 0.000 0.927 2235 S CB -0.578 62.624 63.200 0.003 0.000 0.772 2235 S HN 0.779 nan 8.310 nan 0.000 0.533 2236 T N -2.834 111.705 114.554 -0.024 0.000 2.958 2236 T HA 0.269 4.620 4.350 0.001 0.000 0.256 2236 T C 0.398 175.068 174.700 -0.050 0.000 0.983 2236 T CA -0.421 61.660 62.100 -0.031 0.000 0.924 2236 T CB -0.220 68.622 68.868 -0.044 0.000 1.136 2236 T HN 0.299 nan 8.240 nan 0.000 0.506 2237 Q N 1.260 121.029 119.800 -0.052 0.000 2.337 2237 Q HA 0.395 4.736 4.340 0.001 0.000 0.270 2237 Q C -0.830 175.153 176.000 -0.028 0.000 1.002 2237 Q CA -0.470 55.307 55.803 -0.043 0.000 0.888 2237 Q CB 1.138 29.865 28.738 -0.018 0.000 1.222 2237 Q HN 0.311 nan 8.270 nan 0.000 0.400 2238 L N 5.478 126.681 121.223 -0.032 0.000 2.367 2238 L HA 0.269 4.610 4.340 0.001 0.000 0.275 2238 L C -2.355 174.508 176.870 -0.012 0.000 1.129 2238 L CA -1.527 53.294 54.840 -0.031 0.000 0.839 2238 L CB 0.700 42.727 42.059 -0.052 0.000 1.133 2238 L HN 0.394 nan 8.230 nan 0.000 0.453 2239 P HA 0.000 nan 4.420 nan 0.000 0.264 2239 P C 0.948 178.244 177.300 -0.006 0.000 1.193 2239 P CA 0.121 63.224 63.100 0.006 0.000 0.763 2239 P CB 0.576 32.275 31.700 -0.003 0.000 0.810 2240 L N 2.958 124.183 121.223 0.004 0.000 2.089 2240 L HA -0.280 4.060 4.340 0.001 0.000 0.213 2240 L C 2.090 178.950 176.870 -0.017 0.000 1.079 2240 L CA 2.454 57.286 54.840 -0.014 0.000 0.758 2240 L CB -0.601 41.447 42.059 -0.019 0.000 0.891 2240 L HN 0.456 nan 8.230 nan 0.000 0.433 2241 S N -1.592 114.101 115.700 -0.012 0.000 2.469 2241 S HA -0.226 4.245 4.470 0.001 0.000 0.238 2241 S C 1.611 176.199 174.600 -0.020 0.000 0.998 2241 S CA 0.898 59.090 58.200 -0.012 0.000 0.957 2241 S CB -0.189 63.007 63.200 -0.007 0.000 0.764 2241 S HN 0.574 nan 8.310 nan 0.000 0.514 2242 Q N -0.313 119.465 119.800 -0.036 0.000 2.384 2242 Q HA 0.312 4.653 4.340 0.001 0.000 0.207 2242 Q C 1.743 177.689 176.000 -0.089 0.000 0.904 2242 Q CA -0.011 55.752 55.803 -0.067 0.000 0.933 2242 Q CB -0.098 28.587 28.738 -0.087 0.000 1.077 2242 Q HN 0.438 nan 8.270 nan 0.000 0.522 2243 L N 1.587 122.776 121.223 -0.056 0.000 2.012 2243 L HA -0.229 4.112 4.340 0.001 0.000 0.210 2243 L C 2.166 179.024 176.870 -0.019 0.000 1.073 2243 L CA 1.976 56.789 54.840 -0.046 0.000 0.748 2243 L CB -0.390 41.662 42.059 -0.011 0.000 0.891 2243 L HN 0.221 nan 8.230 nan 0.000 0.431 2244 E N -0.986 119.233 120.200 0.033 0.000 2.038 2244 E HA -0.226 4.125 4.350 0.001 0.000 0.195 2244 E C 2.074 178.717 176.600 0.070 0.000 1.000 2244 E CA 1.282 57.753 56.400 0.117 0.000 0.803 2244 E CB -0.531 29.257 29.700 0.148 0.000 0.750 2244 E HN 0.620 nan 8.360 nan 0.000 0.448 2245 G N 1.232 110.039 108.800 0.011 0.000 2.440 2245 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 2245 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 2245 G C 1.612 176.454 174.900 -0.096 0.000 1.154 2245 G CA 0.955 46.047 45.100 -0.014 0.000 0.767 2245 G HN 0.268 nan 8.290 nan 0.000 0.552 2246 I N 0.358 120.785 120.570 -0.238 0.000 2.315 2246 I HA -0.104 4.067 4.170 0.001 0.000 0.248 2246 I C 2.647 178.679 176.117 -0.142 0.000 1.117 2246 I CA 0.703 61.778 61.300 -0.375 0.000 1.404 2246 I CB -0.171 37.544 38.000 -0.476 0.000 1.071 2246 I HN 0.166 nan 8.210 nan 0.000 0.419 2247 I N 0.569 121.053 120.570 -0.145 0.000 2.179 2247 I HA -0.279 3.892 4.170 0.001 0.000 0.242 2247 I C 2.627 178.574 176.117 -0.282 0.000 1.088 2247 I CA 1.279 62.441 61.300 -0.229 0.000 1.357 2247 I CB -0.300 37.482 38.000 -0.362 0.000 1.051 2247 I HN 0.208 nan 8.210 nan 0.000 0.409 2248 E N 1.607 121.699 120.200 -0.180 0.000 2.085 2248 E HA -0.220 4.131 4.350 0.001 0.000 0.194 2248 E C 2.082 178.693 176.600 0.019 0.000 0.994 2248 E CA 1.841 58.236 56.400 -0.009 0.000 0.801 2248 E CB -0.224 29.586 29.700 0.183 0.000 0.743 2248 E HN 0.411 nan 8.360 nan 0.000 0.453 2249 A N 1.229 124.086 122.820 0.061 0.000 1.877 2249 A HA -0.147 4.174 4.320 0.001 0.000 0.216 2249 A C 2.405 180.039 177.584 0.083 0.000 1.186 2249 A CA 1.865 53.986 52.037 0.140 0.000 0.620 2249 A CB -1.051 18.175 19.000 0.377 0.000 0.822 2249 A HN 0.546 nan 8.150 nan 0.000 0.443 2250 I N -2.904 117.695 120.570 0.049 0.000 2.546 2250 I HA -0.109 4.062 4.170 0.001 0.000 0.255 2250 I C 2.040 178.062 176.117 -0.157 0.000 1.163 2250 I CA 1.109 62.397 61.300 -0.020 0.000 1.457 2250 I CB -0.399 37.606 38.000 0.009 0.000 1.092 2250 I HN 0.202 nan 8.210 nan 0.000 0.434 2251 L N 1.084 122.204 121.223 -0.173 0.000 2.056 2251 L HA -0.110 4.231 4.340 0.001 0.000 0.207 2251 L C 2.684 179.491 176.870 -0.106 0.000 1.078 2251 L CA 1.476 56.199 54.840 -0.195 0.000 0.749 2251 L CB -0.548 41.433 42.059 -0.130 0.000 0.901 2251 L HN 0.281 nan 8.230 nan 0.000 0.433 2252 E N 0.417 120.590 120.200 -0.045 0.000 2.051 2252 E HA -0.213 4.138 4.350 0.001 0.000 0.192 2252 E C 2.262 178.839 176.600 -0.039 0.000 0.991 2252 E CA 1.262 57.650 56.400 -0.020 0.000 0.799 2252 E CB -0.086 29.622 29.700 0.013 0.000 0.748 2252 E HN 0.447 nan 8.360 nan 0.000 0.449 2253 I N 0.796 121.343 120.570 -0.038 0.000 2.226 2253 I HA -0.275 3.896 4.170 0.001 0.000 0.245 2253 I C 2.747 178.831 176.117 -0.055 0.000 1.100 2253 I CA 1.045 62.321 61.300 -0.039 0.000 1.374 2253 I CB -0.260 37.722 38.000 -0.030 0.000 1.057 2253 I HN 0.041 nan 8.210 nan 0.000 0.413 2254 R N 1.023 121.470 120.500 -0.088 0.000 2.081 2254 R HA -0.225 4.116 4.340 0.001 0.000 0.235 2254 R C 2.356 178.569 176.300 -0.144 0.000 1.131 2254 R CA 1.585 57.627 56.100 -0.098 0.000 0.960 2254 R CB -0.260 29.904 30.300 -0.227 0.000 0.856 2254 R HN 0.256 nan 8.270 nan 0.000 0.436 2255 E N 0.358 120.484 120.200 -0.123 0.000 2.070 2255 E HA -0.166 4.185 4.350 0.001 0.000 0.197 2255 E C 1.865 178.388 176.600 -0.128 0.000 1.004 2255 E CA 1.761 58.094 56.400 -0.111 0.000 0.805 2255 E CB -0.034 29.625 29.700 -0.068 0.000 0.744 2255 E HN 0.281 nan 8.360 nan 0.000 0.451 2256 V N 0.900 120.756 119.914 -0.096 0.000 2.346 2256 V HA -0.147 3.974 4.120 0.001 0.000 0.244 2256 V C 2.532 178.577 176.094 -0.081 0.000 1.037 2256 V CA 1.662 63.919 62.300 -0.071 0.000 1.029 2256 V CB -0.776 31.034 31.823 -0.022 0.000 0.663 2256 V HN 0.339 nan 8.190 nan 0.000 0.454 2257 A N 0.760 123.526 122.820 -0.091 0.000 2.015 2257 A HA -0.158 4.163 4.320 0.001 0.000 0.219 2257 A C 2.478 179.768 177.584 -0.490 0.000 1.163 2257 A CA 1.755 53.746 52.037 -0.077 0.000 0.646 2257 A CB -0.680 18.331 19.000 0.018 0.000 0.806 2257 A HN 0.679 nan 8.150 nan 0.000 0.448 2258 S N 0.352 115.560 115.700 -0.820 0.000 2.440 2258 S HA -0.251 4.220 4.470 0.001 0.000 0.240 2258 S C 1.805 175.946 174.600 -0.764 0.000 1.014 2258 S CA 1.625 59.006 58.200 -1.366 0.000 0.980 2258 S CB -0.441 62.363 63.200 -0.661 0.000 0.775 2258 S HN 0.669 nan 8.310 nan 0.000 0.499 2259 K N 0.304 120.367 120.400 -0.561 0.000 2.280 2259 K HA -0.104 4.217 4.320 0.001 0.000 0.202 2259 K C 0.685 176.881 176.600 -0.674 0.000 1.047 2259 K CA 1.246 57.165 56.287 -0.613 0.000 0.942 2259 K CB -0.190 31.837 32.500 -0.789 0.000 0.739 2259 K HN 0.653 nan 8.250 nan 0.000 0.457 2260 Y N -1.003 119.187 120.300 -0.183 0.000 2.467 2260 Y HA 0.155 4.705 4.550 0.001 0.000 0.250 2260 Y C -0.338 175.608 175.900 0.078 0.000 1.155 2260 Y CA -1.057 57.014 58.100 -0.050 0.000 1.249 2260 Y CB 0.284 38.723 38.460 -0.034 0.000 1.146 2260 Y HN -0.146 nan 8.280 nan 0.000 0.524 2261 Y N 2.375 122.719 120.300 0.073 0.000 2.721 2261 Y HA 0.047 4.597 4.550 0.001 0.000 0.329 2261 Y C 0.744 176.663 175.900 0.032 0.000 1.211 2261 Y CA -0.876 57.252 58.100 0.046 0.000 1.512 2261 Y CB -0.156 38.318 38.460 0.024 0.000 1.249 2261 Y HN 0.137 nan 8.280 nan 0.000 0.549 2262 E N 0.729 121.038 120.200 0.181 0.000 2.404 2262 E HA 0.121 4.472 4.350 0.001 0.000 0.261 2262 E C -0.163 176.478 176.600 0.067 0.000 1.074 2262 E CA 0.043 56.501 56.400 0.096 0.000 0.917 2262 E CB 0.306 30.040 29.700 0.057 0.000 0.965 2262 E HN 0.412 nan 8.360 nan 0.000 0.433 2263 T N 3.799 118.380 114.554 0.046 0.000 2.727 2263 T HA 0.245 4.595 4.350 0.001 0.000 0.295 2263 T C 0.251 174.955 174.700 0.007 0.000 0.915 2263 T CA -0.436 61.681 62.100 0.029 0.000 1.066 2263 T CB -0.024 68.859 68.868 0.024 0.000 0.891 2263 T HN 0.176 nan 8.240 nan 0.000 0.516 2264 I N 0.000 120.564 120.570 -0.010 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.278 61.300 -0.037 0.000 1.566 2264 I CB 0.000 37.952 38.000 -0.080 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494