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 1t96_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 0.000 176.685 176.600 0.142 0.000 0.988 2003 K CA 0.000 56.363 56.287 0.126 0.000 0.838 2003 K CB 0.000 32.570 32.500 0.117 0.000 1.064 2004 F N 1.620 121.580 119.950 0.017 0.000 2.623 2004 F HA 0.121 4.649 4.527 0.001 0.000 0.383 2004 F C -0.184 175.574 175.800 -0.070 0.000 1.077 2004 F CA -0.214 57.779 58.000 -0.012 0.000 1.268 2004 F CB 0.446 39.429 39.000 -0.028 0.000 1.053 2004 F HN 0.408 nan 8.300 nan 0.000 0.571 2005 L N 6.599 127.419 121.223 -0.673 0.000 2.307 2005 L HA 0.520 4.861 4.340 0.001 0.000 0.282 2005 L C -1.046 175.432 176.870 -0.653 0.000 1.051 2005 L CA -0.409 54.115 54.840 -0.527 0.000 0.804 2005 L CB 1.552 43.367 42.059 -0.408 0.000 1.197 2005 L HN 0.372 nan 8.230 nan 0.000 0.431 2006 V N 6.567 126.195 119.914 -0.477 0.000 2.419 2006 V HA 0.401 4.521 4.120 0.001 0.000 0.287 2006 V C -0.166 175.761 176.094 -0.279 0.000 1.017 2006 V CA -0.442 61.610 62.300 -0.412 0.000 0.844 2006 V CB 1.443 32.901 31.823 -0.609 0.000 1.011 2006 V HN 0.528 nan 8.190 nan 0.000 0.429 2007 I N 4.634 125.065 120.570 -0.232 0.000 2.315 2007 I HA 0.784 4.955 4.170 0.001 0.000 0.291 2007 I C 0.410 176.301 176.117 -0.375 0.000 1.006 2007 I CA 0.079 61.227 61.300 -0.254 0.000 1.265 2007 I CB 1.365 39.230 38.000 -0.226 0.000 1.387 2007 I HN 0.689 nan 8.210 nan 0.000 0.475 2008 A N 4.571 127.191 122.820 -0.333 0.000 2.609 2008 A HA 0.997 5.318 4.320 0.001 0.000 0.291 2008 A C -0.434 176.845 177.584 -0.508 0.000 1.096 2008 A CA -0.159 51.645 52.037 -0.389 0.000 0.684 2008 A CB 1.902 20.800 19.000 -0.170 0.000 1.282 2008 A HN 0.913 nan 8.150 nan 0.000 0.412 2009 G N -0.431 108.064 108.800 -0.509 0.000 2.341 2009 G HA2 0.523 4.483 3.960 0.001 0.000 0.293 2009 G HA3 0.523 4.483 3.960 0.001 0.000 0.293 2009 G C -3.561 171.114 174.900 -0.375 0.000 1.298 2009 G CA -0.114 44.595 45.100 -0.651 0.000 0.868 2009 G HN 0.764 nan 8.290 nan 0.000 0.540 2010 P HA 0.264 nan 4.420 nan 0.000 0.279 2010 P C 1.290 178.569 177.300 -0.034 0.000 1.239 2010 P CA -0.028 63.026 63.100 -0.078 0.000 0.789 2010 P CB 1.763 33.446 31.700 -0.028 0.000 0.933 2011 C N 3.325 122.649 119.300 0.041 0.000 2.367 2011 C HA -0.036 4.425 4.460 0.001 0.000 0.276 2011 C C 1.325 176.386 174.990 0.119 0.000 1.195 2011 C CA 1.793 60.860 59.018 0.081 0.000 1.756 2011 C CB -1.376 26.427 27.740 0.106 0.000 2.046 2011 C HN 0.701 nan 8.230 nan 0.000 0.453 2012 A N -0.600 122.324 122.820 0.173 0.000 2.337 2012 A HA 0.703 5.024 4.320 0.001 0.000 0.331 2012 A C -0.360 177.392 177.584 0.280 0.000 1.137 2012 A CA -0.587 51.599 52.037 0.249 0.000 0.807 2012 A CB 0.426 19.665 19.000 0.398 0.000 1.250 2012 A HN 0.471 nan 8.150 nan 0.000 0.468 2013 I N 2.302 123.077 120.570 0.342 0.000 2.270 2013 I HA 0.032 4.202 4.170 0.001 0.000 0.300 2013 I C 0.810 177.223 176.117 0.495 0.000 1.186 2013 I CA 0.267 61.802 61.300 0.392 0.000 1.431 2013 I CB -0.129 38.136 38.000 0.442 0.000 1.485 2013 I HN 0.845 nan 8.210 nan 0.000 0.650 2014 E N 2.891 123.302 120.200 0.352 0.000 2.268 2014 E HA -0.073 4.277 4.350 0.001 0.000 0.195 2014 E C 0.424 177.244 176.600 0.365 0.000 0.995 2014 E CA 0.483 57.043 56.400 0.267 0.000 0.836 2014 E CB 0.121 29.840 29.700 0.032 0.000 0.763 2014 E HN 0.696 nan 8.360 nan 0.000 0.491 2015 S N -0.840 115.060 115.700 0.332 0.000 2.678 2015 S HA -0.000 4.471 4.470 0.001 0.000 0.290 2015 S C 0.236 174.996 174.600 0.267 0.000 1.047 2015 S CA -0.616 57.760 58.200 0.292 0.000 0.851 2015 S CB 0.956 64.246 63.200 0.151 0.000 1.058 2015 S HN 0.213 nan 8.310 nan 0.000 0.451 2016 E N 1.145 121.485 120.200 0.234 0.000 2.268 2016 E HA -0.163 4.187 4.350 0.001 0.000 0.195 2016 E C 1.381 178.025 176.600 0.074 0.000 0.995 2016 E CA 1.129 57.583 56.400 0.091 0.000 0.836 2016 E CB -0.198 29.463 29.700 -0.064 0.000 0.763 2016 E HN 0.776 nan 8.360 nan 0.000 0.491 2017 E N 0.914 121.163 120.200 0.081 0.000 2.038 2017 E HA -0.253 4.098 4.350 0.001 0.000 0.195 2017 E C 2.176 178.809 176.600 0.055 0.000 1.000 2017 E CA 1.388 57.822 56.400 0.057 0.000 0.803 2017 E CB -0.181 29.550 29.700 0.052 0.000 0.750 2017 E HN 0.385 nan 8.360 nan 0.000 0.448 2018 L N 1.133 122.393 121.223 0.061 0.000 2.042 2018 L HA -0.190 4.151 4.340 0.001 0.000 0.210 2018 L C 2.264 179.171 176.870 0.061 0.000 1.076 2018 L CA 1.663 56.518 54.840 0.025 0.000 0.749 2018 L CB -0.458 41.609 42.059 0.012 0.000 0.893 2018 L HN 0.267 nan 8.230 nan 0.000 0.432 2019 L N -1.150 120.150 121.223 0.127 0.000 2.127 2019 L HA -0.234 4.107 4.340 0.001 0.000 0.211 2019 L C 2.514 179.421 176.870 0.062 0.000 1.089 2019 L CA 1.316 56.273 54.840 0.194 0.000 0.757 2019 L CB -0.599 41.566 42.059 0.176 0.000 0.899 2019 L HN 0.379 nan 8.230 nan 0.000 0.434 2020 L N -0.414 120.848 121.223 0.064 0.000 2.131 2020 L HA -0.159 4.182 4.340 0.001 0.000 0.206 2020 L C 2.653 179.573 176.870 0.083 0.000 1.087 2020 L CA 0.925 55.846 54.840 0.135 0.000 0.767 2020 L CB -0.415 41.726 42.059 0.137 0.000 0.917 2020 L HN 0.226 nan 8.230 nan 0.000 0.441 2021 K N 0.384 120.807 120.400 0.039 0.000 2.025 2021 K HA -0.133 4.188 4.320 0.001 0.000 0.207 2021 K C 1.984 178.555 176.600 -0.049 0.000 1.049 2021 K CA 1.309 57.596 56.287 -0.001 0.000 0.933 2021 K CB 0.081 32.576 32.500 -0.009 0.000 0.714 2021 K HN 0.056 nan 8.250 nan 0.000 0.438 2022 V N 0.701 120.607 119.914 -0.013 0.000 2.453 2022 V HA -0.123 3.998 4.120 0.001 0.000 0.247 2022 V C 2.389 178.476 176.094 -0.011 0.000 1.048 2022 V CA 1.966 64.275 62.300 0.015 0.000 1.049 2022 V CB -0.718 31.164 31.823 0.098 0.000 0.672 2022 V HN 0.604 nan 8.190 nan 0.000 0.457 2023 G N -0.586 108.152 108.800 -0.103 0.000 2.442 2023 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 2023 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 2023 G C 1.516 175.787 174.900 -1.048 0.000 1.141 2023 G CA 0.985 45.771 45.100 -0.523 0.000 0.763 2023 G HN 0.562 nan 8.290 nan 0.000 0.554 2024 E N 0.105 119.739 120.200 -0.943 0.000 2.085 2024 E HA -0.200 4.151 4.350 0.001 0.000 0.194 2024 E C 2.312 178.661 176.600 -0.419 0.000 0.994 2024 E CA 1.436 57.380 56.400 -0.760 0.000 0.801 2024 E CB -0.078 29.497 29.700 -0.208 0.000 0.743 2024 E HN 0.448 nan 8.360 nan 0.000 0.453 2025 E N 0.674 120.709 120.200 -0.274 0.000 2.072 2025 E HA -0.113 4.238 4.350 0.001 0.000 0.190 2025 E C 1.956 178.425 176.600 -0.218 0.000 0.982 2025 E CA 1.057 57.349 56.400 -0.180 0.000 0.803 2025 E CB -0.216 29.421 29.700 -0.106 0.000 0.755 2025 E HN 0.365 nan 8.360 nan 0.000 0.453 2026 I N 0.341 120.770 120.570 -0.235 0.000 2.286 2026 I HA -0.230 3.940 4.170 0.001 0.000 0.248 2026 I C 2.236 178.102 176.117 -0.417 0.000 1.115 2026 I CA 1.054 62.190 61.300 -0.274 0.000 1.392 2026 I CB -0.282 37.677 38.000 -0.069 0.000 1.065 2026 I HN 0.090 nan 8.210 nan 0.000 0.418 2027 K N 1.649 121.816 120.400 -0.388 0.000 2.026 2027 K HA -0.210 4.111 4.320 0.001 0.000 0.208 2027 K C 2.209 178.663 176.600 -0.244 0.000 1.048 2027 K CA 1.611 57.718 56.287 -0.299 0.000 0.929 2027 K CB -0.374 31.938 32.500 -0.312 0.000 0.713 2027 K HN 0.069 nan 8.250 nan 0.000 0.439 2028 R N -0.302 120.063 120.500 -0.225 0.000 2.091 2028 R HA -0.102 4.239 4.340 0.001 0.000 0.238 2028 R C 1.873 178.056 176.300 -0.196 0.000 1.136 2028 R CA 1.462 57.463 56.100 -0.164 0.000 0.959 2028 R CB -0.247 29.977 30.300 -0.126 0.000 0.856 2028 R HN 0.163 nan 8.270 nan 0.000 0.437 2029 L N 0.865 121.931 121.223 -0.261 0.000 2.141 2029 L HA -0.112 4.228 4.340 0.001 0.000 0.209 2029 L C 2.554 179.221 176.870 -0.339 0.000 1.094 2029 L CA 2.001 56.716 54.840 -0.208 0.000 0.763 2029 L CB -1.308 40.633 42.059 -0.196 0.000 0.908 2029 L HN 0.342 nan 8.230 nan 0.000 0.437 2030 S N -1.249 114.050 115.700 -0.668 0.000 2.402 2030 S HA -0.134 4.336 4.470 0.001 0.000 0.229 2030 S C 1.694 176.279 174.600 -0.027 0.000 1.021 2030 S CA 0.756 58.742 58.200 -0.356 0.000 0.974 2030 S CB -0.177 62.873 63.200 -0.251 0.000 0.800 2030 S HN 0.367 nan 8.310 nan 0.000 0.484 2031 E N 1.575 121.719 120.200 -0.093 0.000 2.158 2031 E HA 0.030 4.381 4.350 0.001 0.000 0.191 2031 E C 1.933 178.483 176.600 -0.083 0.000 0.982 2031 E CA 0.869 57.237 56.400 -0.053 0.000 0.823 2031 E CB -0.233 29.429 29.700 -0.064 0.000 0.766 2031 E HN 0.757 nan 8.360 nan 0.000 0.468 2032 K N -0.388 119.907 120.400 -0.175 0.000 2.137 2032 K HA 0.006 4.327 4.320 0.001 0.000 0.202 2032 K C 0.148 176.478 176.600 -0.451 0.000 1.052 2032 K CA 0.468 56.531 56.287 -0.373 0.000 0.961 2032 K CB 0.157 32.303 32.500 -0.590 0.000 0.741 2032 K HN -0.065 nan 8.250 nan 0.000 0.452 2033 F N 1.793 121.826 119.950 0.138 0.000 2.366 2033 F HA 0.296 4.824 4.527 0.001 0.000 0.328 2033 F C 0.702 176.638 175.800 0.227 0.000 1.180 2033 F CA -0.866 57.260 58.000 0.210 0.000 1.232 2033 F CB 1.143 40.348 39.000 0.342 0.000 1.513 2033 F HN -0.204 nan 8.300 nan 0.000 0.540 2034 K N 0.980 121.521 120.400 0.235 0.000 2.211 2034 K HA -0.173 4.148 4.320 0.001 0.000 0.204 2034 K C 1.814 178.530 176.600 0.192 0.000 1.047 2034 K CA 1.068 57.467 56.287 0.187 0.000 0.935 2034 K CB 0.011 32.574 32.500 0.106 0.000 0.728 2034 K HN 0.542 nan 8.250 nan 0.000 0.452 2035 E N 0.789 121.109 120.200 0.200 0.000 2.502 2035 E HA -0.013 4.338 4.350 0.001 0.000 0.194 2035 E C -0.044 176.659 176.600 0.171 0.000 1.062 2035 E CA 0.056 56.553 56.400 0.161 0.000 0.867 2035 E CB -0.015 29.764 29.700 0.131 0.000 0.888 2035 E HN -0.152 nan 8.360 nan 0.000 0.510 2036 V N 1.756 121.795 119.914 0.209 0.000 2.459 2036 V HA 0.190 4.310 4.120 0.001 0.000 0.295 2036 V C -0.073 176.070 176.094 0.082 0.000 1.029 2036 V CA -0.833 61.531 62.300 0.106 0.000 0.874 2036 V CB 1.653 33.454 31.823 -0.038 0.000 0.985 2036 V HN 0.165 nan 8.190 nan 0.000 0.438 2037 E N 4.066 124.262 120.200 -0.006 0.000 2.105 2037 E HA 0.321 4.672 4.350 0.001 0.000 0.285 2037 E C -1.330 175.225 176.600 -0.075 0.000 1.055 2037 E CA -0.423 55.996 56.400 0.033 0.000 0.843 2037 E CB 0.471 30.183 29.700 0.019 0.000 1.067 2037 E HN 0.501 nan 8.360 nan 0.000 0.398 2038 F N 3.215 123.193 119.950 0.046 0.000 2.396 2038 F HA 0.270 4.798 4.527 0.001 0.000 0.343 2038 F C 0.059 175.870 175.800 0.018 0.000 1.104 2038 F CA -0.489 57.526 58.000 0.026 0.000 1.161 2038 F CB 1.394 40.426 39.000 0.052 0.000 1.146 2038 F HN 0.136 nan 8.300 nan 0.000 0.522 2039 V N 4.775 124.769 119.914 0.134 0.000 2.483 2039 V HA 0.232 4.353 4.120 0.001 0.000 0.297 2039 V C -0.772 175.377 176.094 0.092 0.000 1.027 2039 V CA -1.049 61.304 62.300 0.089 0.000 0.855 2039 V CB 1.639 33.448 31.823 -0.024 0.000 0.995 2039 V HN 0.532 nan 8.190 nan 0.000 0.424 2040 F N 6.066 126.023 119.950 0.012 0.000 2.445 2040 F HA 0.507 5.034 4.527 0.001 0.000 0.359 2040 F C 0.277 176.057 175.800 -0.033 0.000 1.101 2040 F CA 0.190 58.182 58.000 -0.014 0.000 1.177 2040 F CB 0.447 39.450 39.000 0.005 0.000 1.110 2040 F HN 0.393 nan 8.300 nan 0.000 0.522 2041 K N 4.714 124.760 120.400 -0.591 0.000 2.259 2041 K HA 0.654 4.975 4.320 0.001 0.000 0.249 2041 K C -1.575 174.739 176.600 -0.477 0.000 0.942 2041 K CA -0.461 55.595 56.287 -0.385 0.000 0.816 2041 K CB 1.879 34.144 32.500 -0.392 0.000 1.155 2041 K HN 0.684 nan 8.250 nan 0.000 0.428 2042 S N 0.931 116.554 115.700 -0.127 0.000 2.578 2042 S HA 0.285 4.756 4.470 0.001 0.000 0.285 2042 S C -1.796 172.867 174.600 0.105 0.000 1.126 2042 S CA -0.550 57.644 58.200 -0.010 0.000 0.878 2042 S CB 1.062 64.322 63.200 0.100 0.000 1.091 2042 S HN 0.509 nan 8.310 nan 0.000 0.450 2043 S N 3.202 118.961 115.700 0.098 0.000 2.475 2043 S HA 0.380 4.851 4.470 0.001 0.000 0.281 2043 S C 0.808 175.464 174.600 0.093 0.000 1.198 2043 S CA -0.585 57.638 58.200 0.038 0.000 1.063 2043 S CB 0.273 63.471 63.200 -0.003 0.000 0.972 2043 S HN 0.667 nan 8.310 nan 0.000 0.486 2044 F N 0.834 120.883 119.950 0.165 0.000 2.661 2044 F HA 0.412 4.939 4.527 0.001 0.000 0.298 2044 F C 0.420 176.265 175.800 0.076 0.000 1.137 2044 F CA -0.278 57.819 58.000 0.162 0.000 1.454 2044 F CB -0.030 39.067 39.000 0.162 0.000 1.103 2044 F HN 0.438 nan 8.300 nan 0.000 0.577 2045 D N 0.275 120.433 120.400 -0.403 0.000 2.977 2045 D HA 0.239 4.879 4.640 0.001 0.000 0.220 2045 D C -1.498 174.566 176.300 -0.393 0.000 1.267 2045 D CA -0.624 53.157 54.000 -0.365 0.000 0.884 2045 D CB 1.253 41.812 40.800 -0.400 0.000 1.667 2045 D HN -0.185 nan 8.370 nan 0.000 0.536 2046 K N 3.021 123.252 120.400 -0.283 0.000 2.244 2046 K HA 0.509 4.830 4.320 0.001 0.000 0.263 2046 K C 0.503 176.965 176.600 -0.229 0.000 1.103 2046 K CA -0.355 55.826 56.287 -0.177 0.000 0.966 2046 K CB 0.964 33.420 32.500 -0.074 0.000 1.429 2046 K HN 0.473 nan 8.250 nan 0.000 0.434 2047 A N 2.950 125.573 122.820 -0.328 0.000 2.119 2047 A HA -0.105 4.216 4.320 0.001 0.000 0.217 2047 A C 0.778 178.317 177.584 -0.076 0.000 1.153 2047 A CA 0.847 52.716 52.037 -0.281 0.000 0.692 2047 A CB -0.284 18.444 19.000 -0.454 0.000 0.799 2047 A HN 0.762 nan 8.150 nan 0.000 0.458 2048 N N -0.623 118.077 118.700 0.002 0.000 2.610 2048 N HA 0.116 4.856 4.740 0.001 0.000 0.307 2048 N C -0.847 174.697 175.510 0.056 0.000 1.813 2048 N CA -0.633 52.449 53.050 0.053 0.000 0.901 2048 N CB 0.575 39.160 38.487 0.163 0.000 1.354 2048 N HN -0.043 nan 8.380 nan 0.000 0.491 2049 R N 0.669 121.177 120.500 0.013 0.000 2.679 2049 R HA 0.105 4.446 4.340 0.001 0.000 0.268 2049 R C 1.191 177.502 176.300 0.018 0.000 1.044 2049 R CA 0.026 56.141 56.100 0.026 0.000 1.105 2049 R CB 0.455 30.760 30.300 0.007 0.000 0.989 2049 R HN 0.233 nan 8.270 nan 0.000 0.447 2050 S N 0.551 116.269 115.700 0.032 0.000 2.359 2050 S HA -0.114 4.356 4.470 0.001 0.000 0.224 2050 S C 1.034 175.626 174.600 -0.013 0.000 1.035 2050 S CA 1.281 59.489 58.200 0.015 0.000 1.018 2050 S CB 0.003 63.219 63.200 0.027 0.000 0.876 2050 S HN 0.641 nan 8.310 nan 0.000 0.448 2051 S N -0.097 115.597 115.700 -0.010 0.000 2.525 2051 S HA 0.370 4.841 4.470 0.001 0.000 0.290 2051 S C 0.754 175.301 174.600 -0.089 0.000 1.152 2051 S CA -0.706 57.468 58.200 -0.045 0.000 1.072 2051 S CB 0.973 64.175 63.200 0.004 0.000 1.027 2051 S HN 0.182 nan 8.310 nan 0.000 0.500 2052 I N 4.044 124.492 120.570 -0.204 0.000 2.614 2052 I HA -0.032 4.138 4.170 0.001 0.000 0.258 2052 I C 1.291 177.285 176.117 -0.206 0.000 1.189 2052 I CA 1.809 62.964 61.300 -0.241 0.000 1.462 2052 I CB -0.369 37.424 38.000 -0.346 0.000 1.092 2052 I HN 0.846 nan 8.210 nan 0.000 0.442 2053 H N -1.059 118.014 119.070 0.004 0.000 2.533 2053 H HA 0.297 4.854 4.556 0.001 0.000 0.271 2053 H C 0.999 176.344 175.328 0.028 0.000 1.000 2053 H CA -0.206 55.850 56.048 0.013 0.000 1.149 2053 H CB 0.101 29.872 29.762 0.015 0.000 1.375 2053 H HN 0.194 nan 8.280 nan 0.000 0.582 2054 S N 0.225 115.986 115.700 0.101 0.000 2.707 2054 S HA 0.144 4.615 4.470 0.001 0.000 0.276 2054 S C -0.326 174.339 174.600 0.110 0.000 1.179 2054 S CA -0.817 57.449 58.200 0.110 0.000 0.992 2054 S CB 0.883 64.133 63.200 0.083 0.000 1.030 2054 S HN 0.229 nan 8.310 nan 0.000 0.554 2055 F N 1.473 121.423 119.950 -0.001 0.000 2.456 2055 F HA 0.293 4.821 4.527 0.001 0.000 0.358 2055 F C 1.250 177.025 175.800 -0.042 0.000 1.095 2055 F CA 0.061 58.044 58.000 -0.029 0.000 1.216 2055 F CB 0.415 39.399 39.000 -0.026 0.000 1.125 2055 F HN 0.505 nan 8.300 nan 0.000 0.549 2056 R N 3.141 123.106 120.500 -0.892 0.000 2.225 2056 R HA 0.466 4.807 4.340 0.001 0.000 0.194 2056 R C 0.537 176.245 176.300 -0.987 0.000 0.949 2056 R CA 0.181 55.867 56.100 -0.690 0.000 1.088 2056 R CB 0.432 30.495 30.300 -0.395 0.000 1.106 2056 R HN 0.905 nan 8.270 nan 0.000 0.566 2057 G N -0.470 107.395 108.800 -1.558 0.000 2.340 2057 G HA2 -0.097 3.863 3.960 0.001 0.000 0.282 2057 G HA3 -0.097 3.863 3.960 0.001 0.000 0.282 2057 G C -1.070 173.438 174.900 -0.654 0.000 1.312 2057 G CA -0.823 43.684 45.100 -0.989 0.000 0.942 2057 G HN 0.318 nan 8.290 nan 0.000 0.495 2058 H N 0.198 119.252 119.070 -0.027 0.000 2.592 2058 H HA 0.519 5.075 4.556 0.001 0.000 0.279 2058 H C 1.045 176.394 175.328 0.035 0.000 1.089 2058 H CA 0.966 56.962 56.048 -0.088 0.000 1.150 2058 H CB 0.839 30.327 29.762 -0.456 0.000 1.575 2058 H HN 1.783 nan 8.280 nan 0.000 0.547 2059 G N 0.302 109.220 108.800 0.196 0.000 2.629 2059 G HA2 -0.205 3.755 3.960 0.001 0.000 0.686 2059 G HA3 -0.205 3.755 3.960 0.001 0.000 0.686 2059 G C 0.069 175.122 174.900 0.254 0.000 1.232 2059 G CA -0.371 44.864 45.100 0.225 0.000 0.803 2059 G HN 0.161 nan 8.290 nan 0.000 0.638 2060 L N 0.521 121.806 121.223 0.104 0.000 2.046 2060 L HA 0.136 4.477 4.340 0.001 0.000 0.208 2060 L C 2.373 179.142 176.870 -0.167 0.000 1.077 2060 L CA 3.081 57.712 54.840 -0.348 0.000 0.747 2060 L CB -0.728 41.069 42.059 -0.438 0.000 0.896 2060 L HN 0.855 nan 8.230 nan 0.000 0.432 2061 E N -1.664 118.544 120.200 0.013 0.000 2.028 2061 E HA -0.297 4.054 4.350 0.001 0.000 0.191 2061 E C 2.197 178.850 176.600 0.089 0.000 0.988 2061 E CA 1.522 57.947 56.400 0.042 0.000 0.799 2061 E CB -0.379 29.368 29.700 0.077 0.000 0.755 2061 E HN 0.620 nan 8.360 nan 0.000 0.447 2062 Y N 0.365 120.697 120.300 0.052 0.000 2.224 2062 Y HA -0.152 4.398 4.550 0.001 0.000 0.289 2062 Y C 1.999 177.957 175.900 0.096 0.000 1.146 2062 Y CA 1.805 59.952 58.100 0.077 0.000 1.182 2062 Y CB -0.439 38.096 38.460 0.124 0.000 0.983 2062 Y HN 0.066 nan 8.280 nan 0.000 0.524 2063 G N -0.626 108.361 108.800 0.312 0.000 2.404 2063 G HA2 -0.224 3.737 3.960 0.001 0.000 0.215 2063 G HA3 -0.224 3.737 3.960 0.001 0.000 0.215 2063 G C 1.646 176.608 174.900 0.104 0.000 1.174 2063 G CA 1.170 46.438 45.100 0.281 0.000 0.780 2063 G HN 0.340 nan 8.290 nan 0.000 0.537 2064 V N 0.872 120.781 119.914 -0.008 0.000 2.490 2064 V HA -0.132 3.988 4.120 0.001 0.000 0.250 2064 V C 2.662 178.736 176.094 -0.033 0.000 1.061 2064 V CA 2.194 64.476 62.300 -0.029 0.000 1.064 2064 V CB -0.256 31.520 31.823 -0.079 0.000 0.670 2064 V HN 0.482 nan 8.190 nan 0.000 0.461 2065 K N 0.415 120.771 120.400 -0.073 0.000 2.062 2065 K HA -0.110 4.211 4.320 0.001 0.000 0.205 2065 K C 2.189 178.701 176.600 -0.146 0.000 1.051 2065 K CA 1.415 57.632 56.287 -0.117 0.000 0.941 2065 K CB -0.282 32.119 32.500 -0.166 0.000 0.719 2065 K HN 0.394 nan 8.250 nan 0.000 0.440 2066 A N 1.432 124.140 122.820 -0.187 0.000 1.902 2066 A HA -0.091 4.230 4.320 0.001 0.000 0.217 2066 A C 2.105 179.659 177.584 -0.051 0.000 1.181 2066 A CA 1.206 53.155 52.037 -0.146 0.000 0.623 2066 A CB -0.597 18.337 19.000 -0.109 0.000 0.818 2066 A HN 0.329 nan 8.150 nan 0.000 0.443 2067 L N -1.239 119.992 121.223 0.014 0.000 2.201 2067 L HA -0.120 4.220 4.340 0.001 0.000 0.212 2067 L C 2.738 179.600 176.870 -0.013 0.000 1.105 2067 L CA 1.410 56.275 54.840 0.041 0.000 0.775 2067 L CB -0.384 41.752 42.059 0.128 0.000 0.913 2067 L HN 0.436 nan 8.230 nan 0.000 0.440 2068 R N 0.530 121.013 120.500 -0.029 0.000 2.090 2068 R HA -0.198 4.143 4.340 0.001 0.000 0.228 2068 R C 2.319 178.580 176.300 -0.066 0.000 1.110 2068 R CA 1.292 57.369 56.100 -0.038 0.000 0.973 2068 R CB 0.056 30.331 30.300 -0.041 0.000 0.869 2068 R HN 0.025 nan 8.270 nan 0.000 0.440 2069 K N 0.094 120.442 120.400 -0.087 0.000 2.026 2069 K HA -0.087 4.234 4.320 0.001 0.000 0.208 2069 K C 1.768 178.293 176.600 -0.124 0.000 1.048 2069 K CA 1.629 57.850 56.287 -0.111 0.000 0.929 2069 K CB -0.364 32.068 32.500 -0.114 0.000 0.713 2069 K HN 0.036 nan 8.250 nan 0.000 0.439 2070 V N 1.292 121.137 119.914 -0.116 0.000 2.287 2070 V HA -0.260 3.860 4.120 0.001 0.000 0.248 2070 V C 2.454 178.523 176.094 -0.042 0.000 1.053 2070 V CA 2.244 64.481 62.300 -0.105 0.000 1.027 2070 V CB -0.531 31.032 31.823 -0.433 0.000 0.646 2070 V HN 0.460 nan 8.190 nan 0.000 0.447 2071 K N 0.079 120.444 120.400 -0.057 0.000 2.097 2071 K HA -0.260 4.061 4.320 0.001 0.000 0.206 2071 K C 2.211 178.793 176.600 -0.031 0.000 1.049 2071 K CA 2.041 58.321 56.287 -0.013 0.000 0.933 2071 K CB -0.108 32.393 32.500 0.001 0.000 0.717 2071 K HN 0.656 nan 8.250 nan 0.000 0.442 2072 E N 0.610 120.766 120.200 -0.074 0.000 2.028 2072 E HA -0.227 4.124 4.350 0.001 0.000 0.190 2072 E C 1.902 178.401 176.600 -0.168 0.000 0.984 2072 E CA 1.181 57.523 56.400 -0.098 0.000 0.800 2072 E CB -0.046 29.593 29.700 -0.101 0.000 0.758 2072 E HN 0.380 nan 8.360 nan 0.000 0.448 2073 E N -1.280 118.749 120.200 -0.286 0.000 2.204 2073 E HA -0.148 4.203 4.350 0.001 0.000 0.195 2073 E C 0.869 177.023 176.600 -0.742 0.000 0.990 2073 E CA 1.102 57.158 56.400 -0.574 0.000 0.821 2073 E CB 0.090 29.294 29.700 -0.826 0.000 0.750 2073 E HN 0.327 nan 8.360 nan 0.000 0.477 2074 F N -1.827 118.068 119.950 -0.093 0.000 2.767 2074 F HA 0.346 4.874 4.527 0.001 0.000 0.323 2074 F C 1.236 177.003 175.800 -0.055 0.000 1.091 2074 F CA 0.292 58.243 58.000 -0.081 0.000 1.192 2074 F CB 1.237 40.171 39.000 -0.110 0.000 1.056 2074 F HN 0.039 nan 8.300 nan 0.000 0.571 2075 G N 1.797 110.648 108.800 0.085 0.000 2.198 2075 G HA2 -0.302 3.659 3.960 0.001 0.000 0.260 2075 G HA3 -0.302 3.659 3.960 0.001 0.000 0.260 2075 G C 0.011 174.962 174.900 0.085 0.000 1.025 2075 G CA 0.017 45.155 45.100 0.063 0.000 0.769 2075 G HN 0.291 nan 8.290 nan 0.000 0.507 2076 L N -0.190 121.095 121.223 0.102 0.000 2.334 2076 L HA 0.430 4.770 4.340 0.001 0.000 0.277 2076 L C 1.155 178.089 176.870 0.106 0.000 1.075 2076 L CA -0.856 54.049 54.840 0.109 0.000 0.804 2076 L CB 0.992 43.115 42.059 0.106 0.000 1.174 2076 L HN 0.039 nan 8.230 nan 0.000 0.438 2077 K N 2.505 122.978 120.400 0.122 0.000 2.219 2077 K HA 0.405 4.725 4.320 0.001 0.000 0.258 2077 K C -0.649 176.035 176.600 0.140 0.000 1.008 2077 K CA -0.393 55.959 56.287 0.109 0.000 0.928 2077 K CB 0.894 33.450 32.500 0.095 0.000 0.983 2077 K HN 0.301 nan 8.250 nan 0.000 0.484 2078 I N 0.664 121.307 120.570 0.122 0.000 2.785 2078 I HA 0.296 4.467 4.170 0.001 0.000 0.302 2078 I C 0.007 176.193 176.117 0.114 0.000 1.069 2078 I CA -0.416 60.977 61.300 0.155 0.000 1.045 2078 I CB 1.892 39.979 38.000 0.144 0.000 1.236 2078 I HN 0.565 nan 8.210 nan 0.000 0.429 2079 T N 2.704 117.329 114.554 0.118 0.000 3.041 2079 T HA 0.591 4.942 4.350 0.001 0.000 0.321 2079 T C -1.055 173.702 174.700 0.095 0.000 1.184 2079 T CA -0.207 61.940 62.100 0.078 0.000 1.050 2079 T CB 1.548 70.431 68.868 0.026 0.000 1.159 2079 T HN 0.859 nan 8.240 nan 0.000 0.469 2080 T N 2.402 117.020 114.554 0.107 0.000 2.821 2080 T HA 0.565 4.916 4.350 0.001 0.000 0.306 2080 T C -1.985 172.755 174.700 0.068 0.000 1.313 2080 T CA -0.720 61.455 62.100 0.125 0.000 1.012 2080 T CB 1.461 70.488 68.868 0.265 0.000 1.298 2080 T HN 0.777 nan 8.240 nan 0.000 0.502 2081 D N 2.730 123.111 120.400 -0.032 0.000 2.193 2081 D HA 0.495 5.136 4.640 0.001 0.000 0.249 2081 D C 0.376 176.480 176.300 -0.328 0.000 1.034 2081 D CA -0.634 53.255 54.000 -0.185 0.000 0.902 2081 D CB 0.995 41.641 40.800 -0.257 0.000 1.182 2081 D HN 0.772 nan 8.370 nan 0.000 0.436 2082 I N -2.112 118.242 120.570 -0.359 0.000 2.707 2082 I HA 0.479 4.650 4.170 0.001 0.000 0.309 2082 I C -0.369 175.348 176.117 -0.668 0.000 1.001 2082 I CA -0.936 60.174 61.300 -0.316 0.000 1.129 2082 I CB 1.721 39.649 38.000 -0.120 0.000 1.308 2082 I HN 0.296 nan 8.210 nan 0.000 0.466 2083 H N 0.388 119.401 119.070 -0.095 0.000 3.255 2083 H HA 0.451 5.008 4.556 0.001 0.000 0.256 2083 H C -0.622 174.670 175.328 -0.059 0.000 1.049 2083 H CA -0.177 55.828 56.048 -0.072 0.000 1.202 2083 H CB 0.770 30.495 29.762 -0.061 0.000 1.497 2083 H HN 0.604 nan 8.280 nan 0.000 0.503 2084 E N -0.536 119.625 120.200 -0.066 0.000 2.366 2084 E HA 0.261 4.612 4.350 0.001 0.000 0.278 2084 E C 0.041 176.528 176.600 -0.189 0.000 0.923 2084 E CA -0.261 56.105 56.400 -0.057 0.000 0.761 2084 E CB 2.385 32.132 29.700 0.079 0.000 1.231 2084 E HN -0.032 nan 8.360 nan 0.000 0.443 2085 S N 1.361 117.050 115.700 -0.018 0.000 2.392 2085 S HA -0.181 4.290 4.470 0.001 0.000 0.232 2085 S C 1.551 176.165 174.600 0.023 0.000 1.041 2085 S CA 1.796 60.004 58.200 0.014 0.000 1.026 2085 S CB -0.277 62.978 63.200 0.091 0.000 0.845 2085 S HN 0.730 nan 8.310 nan 0.000 0.465 2086 W N 1.860 123.196 121.300 0.060 0.000 2.468 2086 W HA -0.040 4.620 4.660 0.001 0.000 0.262 2086 W C 1.114 177.667 176.519 0.056 0.000 1.241 2086 W CA 0.627 58.002 57.345 0.051 0.000 1.232 2086 W CB -0.784 28.703 29.460 0.045 0.000 1.124 2086 W HN 0.413 nan 8.180 nan 0.000 0.597 2087 Q N 0.804 120.209 119.800 -0.657 0.000 2.389 2087 Q HA 0.042 4.383 4.340 0.001 0.000 0.204 2087 Q C 2.659 178.542 176.000 -0.193 0.000 0.944 2087 Q CA 1.040 56.484 55.803 -0.597 0.000 0.908 2087 Q CB -0.201 28.097 28.738 -0.734 0.000 1.002 2087 Q HN 0.290 nan 8.270 nan 0.000 0.493 2088 A N 2.079 124.833 122.820 -0.109 0.000 1.859 2088 A HA -0.307 4.014 4.320 0.001 0.000 0.217 2088 A C 2.008 179.591 177.584 -0.002 0.000 1.198 2088 A CA 1.858 53.874 52.037 -0.034 0.000 0.629 2088 A CB -0.663 18.331 19.000 -0.009 0.000 0.830 2088 A HN 0.464 nan 8.150 nan 0.000 0.446 2089 E N -0.241 119.974 120.200 0.025 0.000 2.033 2089 E HA -0.187 4.164 4.350 0.001 0.000 0.199 2089 E C -0.493 176.125 176.600 0.030 0.000 1.011 2089 E CA 1.716 58.139 56.400 0.039 0.000 0.815 2089 E CB -0.757 28.981 29.700 0.063 0.000 0.755 2089 E HN 0.494 nan 8.360 nan 0.000 0.451 2090 P HA -0.116 nan 4.420 nan 0.000 0.218 2090 P C 1.683 178.971 177.300 -0.020 0.000 1.149 2090 P CA 0.979 64.089 63.100 0.016 0.000 0.817 2090 P CB 0.001 31.726 31.700 0.041 0.000 0.785 2091 V N 0.815 120.706 119.914 -0.039 0.000 2.453 2091 V HA -0.150 3.970 4.120 0.001 0.000 0.247 2091 V C 2.796 178.899 176.094 0.015 0.000 1.048 2091 V CA 1.847 64.132 62.300 -0.024 0.000 1.049 2091 V CB -1.581 30.247 31.823 0.008 0.000 0.672 2091 V HN 0.084 nan 8.190 nan 0.000 0.457 2092 A N -0.259 122.572 122.820 0.018 0.000 2.084 2092 A HA -0.233 4.087 4.320 0.001 0.000 0.221 2092 A C 2.091 179.691 177.584 0.027 0.000 1.161 2092 A CA 1.650 53.703 52.037 0.028 0.000 0.653 2092 A CB -0.378 18.638 19.000 0.027 0.000 0.802 2092 A HN 0.615 nan 8.150 nan 0.000 0.457 2093 E N -0.422 119.789 120.200 0.019 0.000 2.160 2093 E HA -0.133 4.218 4.350 0.001 0.000 0.195 2093 E C 1.770 178.381 176.600 0.019 0.000 0.991 2093 E CA 1.688 58.097 56.400 0.016 0.000 0.810 2093 E CB -0.225 29.481 29.700 0.009 0.000 0.742 2093 E HN 0.533 nan 8.360 nan 0.000 0.466 2094 V N 0.241 120.169 119.914 0.024 0.000 3.151 2094 V HA 0.188 4.309 4.120 0.001 0.000 0.241 2094 V C 0.931 177.057 176.094 0.052 0.000 1.173 2094 V CA 0.481 62.800 62.300 0.033 0.000 1.154 2094 V CB 0.245 32.086 31.823 0.030 0.000 0.898 2094 V HN 0.085 nan 8.190 nan 0.000 0.473 2095 A N 0.805 123.661 122.820 0.060 0.000 2.404 2095 A HA 0.185 4.506 4.320 0.001 0.000 0.273 2095 A C 0.908 178.530 177.584 0.063 0.000 1.144 2095 A CA -0.041 52.039 52.037 0.073 0.000 0.806 2095 A CB -0.099 18.949 19.000 0.080 0.000 1.080 2095 A HN 0.422 nan 8.150 nan 0.000 0.509 2096 D N 1.642 122.082 120.400 0.068 0.000 2.234 2096 D HA 0.047 4.687 4.640 0.001 0.000 0.205 2096 D C 0.142 176.484 176.300 0.071 0.000 0.962 2096 D CA 1.396 55.436 54.000 0.066 0.000 0.855 2096 D CB 0.259 41.099 40.800 0.067 0.000 0.951 2096 D HN 0.575 nan 8.370 nan 0.000 0.500 2097 I N 1.462 122.071 120.570 0.064 0.000 2.478 2097 I HA 0.268 4.439 4.170 0.001 0.000 0.287 2097 I C -0.441 175.710 176.117 0.057 0.000 1.042 2097 I CA -0.621 60.719 61.300 0.065 0.000 1.067 2097 I CB 2.734 40.748 38.000 0.023 0.000 1.233 2097 I HN -0.306 nan 8.210 nan 0.000 0.431 2098 I N 5.574 126.179 120.570 0.058 0.000 2.342 2098 I HA 0.210 4.381 4.170 0.001 0.000 0.291 2098 I C 0.126 176.256 176.117 0.023 0.000 1.010 2098 I CA -0.226 61.098 61.300 0.040 0.000 1.308 2098 I CB 1.325 39.344 38.000 0.032 0.000 1.400 2098 I HN 0.595 nan 8.210 nan 0.000 0.488 2099 Q N 6.831 126.631 119.800 -0.000 0.000 2.278 2099 Q HA 0.398 4.739 4.340 0.001 0.000 0.257 2099 Q C -1.127 174.820 176.000 -0.090 0.000 0.928 2099 Q CA -0.732 55.051 55.803 -0.032 0.000 0.932 2099 Q CB 1.322 30.050 28.738 -0.017 0.000 1.221 2099 Q HN 0.495 nan 8.270 nan 0.000 0.434 2100 I N 6.874 127.390 120.570 -0.089 0.000 2.304 2100 I HA 0.313 4.483 4.170 0.001 0.000 0.291 2100 I C -2.135 173.891 176.117 -0.152 0.000 1.018 2100 I CA -2.474 58.759 61.300 -0.112 0.000 1.260 2100 I CB 0.831 38.791 38.000 -0.066 0.000 1.390 2100 I HN 0.534 nan 8.210 nan 0.000 0.475 2101 P HA 0.028 nan 4.420 nan 0.000 0.267 2101 P C 0.635 177.820 177.300 -0.192 0.000 1.200 2101 P CA 0.100 63.077 63.100 -0.204 0.000 0.772 2101 P CB 0.852 32.462 31.700 -0.151 0.000 0.855 2102 A N 2.286 124.910 122.820 -0.327 0.000 1.883 2102 A HA -0.218 4.103 4.320 0.001 0.000 0.217 2102 A C 1.668 179.179 177.584 -0.122 0.000 1.186 2102 A CA 1.762 53.589 52.037 -0.351 0.000 0.624 2102 A CB -1.650 17.015 19.000 -0.558 0.000 0.822 2102 A HN 0.515 nan 8.150 nan 0.000 0.444 2103 F N -0.294 119.689 119.950 0.054 0.000 2.365 2103 F HA 0.037 4.564 4.527 0.001 0.000 0.300 2103 F C 1.590 177.489 175.800 0.165 0.000 1.090 2103 F CA 0.535 58.652 58.000 0.195 0.000 1.408 2103 F CB -0.409 38.655 39.000 0.106 0.000 1.060 2103 F HN 0.094 nan 8.300 nan 0.000 0.534 2104 L N -0.552 120.809 121.223 0.230 0.000 2.728 2104 L HA 0.091 4.432 4.340 0.001 0.000 0.238 2104 L C 1.953 178.880 176.870 0.095 0.000 1.143 2104 L CA -0.048 54.875 54.840 0.139 0.000 0.937 2104 L CB -0.734 41.368 42.059 0.071 0.000 1.225 2104 L HN 0.256 nan 8.230 nan 0.000 0.507 2105 C N -1.391 117.971 119.300 0.103 0.000 2.409 2105 C HA 0.011 4.472 4.460 0.001 0.000 0.288 2105 C C 2.134 177.169 174.990 0.075 0.000 1.395 2105 C CA 0.516 59.561 59.018 0.045 0.000 1.792 2105 C CB -1.666 26.059 27.740 -0.026 0.000 1.847 2105 C HN 0.547 nan 8.230 nan 0.000 0.534 2106 G N -0.894 107.986 108.800 0.134 0.000 3.126 2106 G HA2 0.177 4.138 3.960 0.001 0.000 0.224 2106 G HA3 0.177 4.138 3.960 0.001 0.000 0.224 2106 G C 0.602 175.530 174.900 0.047 0.000 1.142 2106 G CA -0.095 45.061 45.100 0.093 0.000 0.759 2106 G HN 0.550 nan 8.290 nan 0.000 0.550 2107 Q N 1.407 121.234 119.800 0.046 0.000 2.381 2107 Q HA 0.160 4.500 4.340 0.001 0.000 0.243 2107 Q C 1.292 177.304 176.000 0.019 0.000 1.154 2107 Q CA 0.009 55.829 55.803 0.028 0.000 0.899 2107 Q CB 0.715 29.474 28.738 0.034 0.000 1.396 2107 Q HN 0.166 nan 8.270 nan 0.000 0.485 2108 T N 1.499 116.058 114.554 0.009 0.000 2.653 2108 T HA -0.184 4.166 4.350 0.001 0.000 0.268 2108 T C 0.940 175.652 174.700 0.020 0.000 1.035 2108 T CA 1.706 63.808 62.100 0.003 0.000 1.154 2108 T CB 0.086 68.943 68.868 -0.017 0.000 0.862 2108 T HN 0.478 nan 8.240 nan 0.000 0.441 2109 D N 0.652 121.068 120.400 0.026 0.000 2.144 2109 D HA -0.024 4.617 4.640 0.001 0.000 0.199 2109 D C 2.044 178.367 176.300 0.038 0.000 0.984 2109 D CA 0.538 54.562 54.000 0.040 0.000 0.834 2109 D CB -0.387 40.441 40.800 0.046 0.000 0.955 2109 D HN 0.190 nan 8.370 nan 0.000 0.465 2110 L N 0.609 121.848 121.223 0.027 0.000 2.056 2110 L HA -0.081 4.259 4.340 0.001 0.000 0.207 2110 L C 2.238 179.114 176.870 0.011 0.000 1.078 2110 L CA 1.207 56.053 54.840 0.011 0.000 0.749 2110 L CB -0.452 41.606 42.059 -0.001 0.000 0.901 2110 L HN -0.012 nan 8.230 nan 0.000 0.433 2111 L N -1.425 119.809 121.223 0.018 0.000 2.017 2111 L HA -0.248 4.092 4.340 0.001 0.000 0.208 2111 L C 2.472 179.366 176.870 0.040 0.000 1.073 2111 L CA 1.366 56.220 54.840 0.023 0.000 0.745 2111 L CB -0.593 41.479 42.059 0.022 0.000 0.894 2111 L HN 0.262 nan 8.230 nan 0.000 0.432 2112 L N -0.516 120.740 121.223 0.055 0.000 2.083 2112 L HA -0.195 4.145 4.340 0.001 0.000 0.209 2112 L C 2.847 179.753 176.870 0.059 0.000 1.083 2112 L CA 1.106 55.993 54.840 0.078 0.000 0.752 2112 L CB -0.731 41.390 42.059 0.103 0.000 0.899 2112 L HN 0.254 nan 8.230 nan 0.000 0.433 2113 A N -0.042 122.807 122.820 0.048 0.000 1.933 2113 A HA -0.132 4.189 4.320 0.001 0.000 0.218 2113 A C 2.520 180.122 177.584 0.030 0.000 1.175 2113 A CA 1.651 53.712 52.037 0.041 0.000 0.628 2113 A CB -0.582 18.440 19.000 0.037 0.000 0.814 2113 A HN 0.400 nan 8.150 nan 0.000 0.444 2114 A N -0.165 122.669 122.820 0.023 0.000 1.898 2114 A HA 0.232 4.553 4.320 0.001 0.000 0.216 2114 A C 2.492 180.094 177.584 0.030 0.000 1.181 2114 A CA 1.852 53.901 52.037 0.020 0.000 0.620 2114 A CB -0.975 18.033 19.000 0.013 0.000 0.819 2114 A HN 1.010 nan 8.150 nan 0.000 0.442 2115 A N -0.164 122.677 122.820 0.035 0.000 1.933 2115 A HA -0.163 4.158 4.320 0.001 0.000 0.218 2115 A C 2.123 179.723 177.584 0.028 0.000 1.175 2115 A CA 1.920 53.978 52.037 0.035 0.000 0.628 2115 A CB -0.454 18.573 19.000 0.044 0.000 0.814 2115 A HN 0.536 nan 8.150 nan 0.000 0.444 2116 K N 0.009 120.427 120.400 0.030 0.000 2.147 2116 K HA -0.159 4.162 4.320 0.001 0.000 0.205 2116 K C 1.908 178.521 176.600 0.022 0.000 1.049 2116 K CA 1.858 58.160 56.287 0.023 0.000 0.936 2116 K CB -0.354 32.164 32.500 0.030 0.000 0.722 2116 K HN 0.631 nan 8.250 nan 0.000 0.446 2117 T N -2.964 111.605 114.554 0.026 0.000 3.025 2117 T HA 0.021 4.372 4.350 0.001 0.000 0.270 2117 T C 1.453 176.168 174.700 0.025 0.000 1.126 2117 T CA 1.099 63.215 62.100 0.026 0.000 1.105 2117 T CB -0.338 68.547 68.868 0.028 0.000 0.884 2117 T HN 0.459 nan 8.240 nan 0.000 0.522 2118 G N 1.290 110.104 108.800 0.024 0.000 2.234 2118 G HA2 -0.270 3.691 3.960 0.001 0.000 0.260 2118 G HA3 -0.270 3.691 3.960 0.001 0.000 0.260 2118 G C 0.441 175.359 174.900 0.031 0.000 0.987 2118 G CA 0.078 45.192 45.100 0.023 0.000 0.625 2118 G HN 0.633 nan 8.290 nan 0.000 0.532 2119 R N 0.800 121.322 120.500 0.037 0.000 2.738 2119 R HA 0.668 5.008 4.340 0.001 0.000 0.275 2119 R C 0.945 177.282 176.300 0.062 0.000 1.121 2119 R CA 0.301 56.431 56.100 0.050 0.000 1.207 2119 R CB -0.230 30.101 30.300 0.051 0.000 1.141 2119 R HN 0.740 nan 8.270 nan 0.000 0.571 2120 A N 0.593 123.466 122.820 0.088 0.000 2.351 2120 A HA 0.434 4.755 4.320 0.001 0.000 0.257 2120 A C -0.377 177.287 177.584 0.133 0.000 1.087 2120 A CA -0.430 51.684 52.037 0.129 0.000 0.798 2120 A CB 0.644 19.775 19.000 0.218 0.000 1.033 2120 A HN 0.314 nan 8.150 nan 0.000 0.488 2121 V N 2.628 122.632 119.914 0.150 0.000 2.531 2121 V HA 0.351 4.472 4.120 0.001 0.000 0.301 2121 V C -0.059 176.151 176.094 0.192 0.000 1.034 2121 V CA -0.755 61.620 62.300 0.125 0.000 0.865 2121 V CB 1.615 33.480 31.823 0.070 0.000 0.995 2121 V HN 0.970 nan 8.190 nan 0.000 0.424 2122 N N 3.514 122.296 118.700 0.137 0.000 2.446 2122 N HA 0.551 5.292 4.740 0.001 0.000 0.265 2122 N C -1.329 174.196 175.510 0.025 0.000 0.975 2122 N CA -0.389 52.736 53.050 0.124 0.000 0.928 2122 N CB 1.826 40.332 38.487 0.031 0.000 1.160 2122 N HN 0.446 nan 8.380 nan 0.000 0.495 2123 V N 3.803 123.727 119.914 0.018 0.000 2.394 2123 V HA 0.270 4.391 4.120 0.001 0.000 0.282 2123 V C 0.178 176.208 176.094 -0.107 0.000 1.031 2123 V CA -0.739 61.534 62.300 -0.045 0.000 0.881 2123 V CB 1.256 33.064 31.823 -0.025 0.000 0.982 2123 V HN 0.575 nan 8.190 nan 0.000 0.451 2124 K N 3.849 124.144 120.400 -0.175 0.000 2.312 2124 K HA 0.216 4.537 4.320 0.001 0.000 0.287 2124 K C 0.034 176.484 176.600 -0.251 0.000 1.062 2124 K CA -0.289 55.840 56.287 -0.263 0.000 0.934 2124 K CB 0.832 33.121 32.500 -0.351 0.000 1.027 2124 K HN 0.602 nan 8.250 nan 0.000 0.478 2125 K N 1.677 121.925 120.400 -0.254 0.000 2.412 2125 K HA 0.068 4.389 4.320 0.001 0.000 0.284 2125 K C 0.325 176.681 176.600 -0.406 0.000 1.046 2125 K CA -0.062 56.058 56.287 -0.277 0.000 0.999 2125 K CB 0.391 32.749 32.500 -0.236 0.000 0.941 2125 K HN 0.711 nan 8.250 nan 0.000 0.474 2126 G N 3.211 111.672 108.800 -0.565 0.000 2.484 2126 G HA2 -0.093 3.868 3.960 0.001 0.000 0.235 2126 G HA3 -0.093 3.868 3.960 0.001 0.000 0.235 2126 G C 0.200 174.581 174.900 -0.864 0.000 1.282 2126 G CA -0.418 44.095 45.100 -0.980 0.000 0.857 2126 G HN 0.809 nan 8.290 nan 0.000 0.571 2127 Q N 0.711 120.175 119.800 -0.559 0.000 2.439 2127 Q HA -0.063 4.278 4.340 0.001 0.000 0.211 2127 Q C 1.636 177.544 176.000 -0.155 0.000 0.978 2127 Q CA 1.420 57.080 55.803 -0.239 0.000 0.897 2127 Q CB -0.192 28.543 28.738 -0.006 0.000 0.956 2127 Q HN 0.829 nan 8.270 nan 0.000 0.483 2128 F N -2.770 117.184 119.950 0.006 0.000 2.721 2128 F HA 0.341 4.868 4.527 0.001 0.000 0.301 2128 F C 0.283 176.060 175.800 -0.039 0.000 1.096 2128 F CA -0.879 57.122 58.000 0.000 0.000 1.308 2128 F CB 0.029 39.045 39.000 0.027 0.000 1.086 2128 F HN -0.111 nan 8.300 nan 0.000 0.587 2129 L N 2.025 123.017 121.223 -0.385 0.000 2.312 2129 L HA 0.736 5.077 4.340 0.001 0.000 0.281 2129 L C 0.225 176.924 176.870 -0.285 0.000 1.070 2129 L CA -1.099 53.592 54.840 -0.249 0.000 0.805 2129 L CB 0.944 42.781 42.059 -0.371 0.000 1.174 2129 L HN 0.204 nan 8.230 nan 0.000 0.434 2130 A N 6.186 128.810 122.820 -0.327 0.000 2.340 2130 A HA 0.527 4.848 4.320 0.001 0.000 0.268 2130 A C -1.812 175.332 177.584 -0.733 0.000 1.100 2130 A CA -1.052 50.572 52.037 -0.689 0.000 0.803 2130 A CB -0.123 18.311 19.000 -0.943 0.000 1.043 2130 A HN 0.760 nan 8.150 nan 0.000 0.488 2131 P HA -0.182 nan 4.420 nan 0.000 0.215 2131 P C 0.994 178.269 177.300 -0.042 0.000 1.157 2131 P CA 2.051 64.937 63.100 -0.356 0.000 0.874 2131 P CB -0.170 31.370 31.700 -0.267 0.000 0.790 2132 W N -0.332 121.094 121.300 0.209 0.000 2.468 2132 W HA -0.010 4.651 4.660 0.001 0.000 0.262 2132 W C 0.831 177.421 176.519 0.118 0.000 1.241 2132 W CA 0.641 58.168 57.345 0.303 0.000 1.232 2132 W CB -1.826 27.757 29.460 0.204 0.000 1.124 2132 W HN -0.101 nan 8.180 nan 0.000 0.597 2133 D N 0.703 121.122 120.400 0.032 0.000 2.349 2133 D HA -0.066 4.575 4.640 0.001 0.000 0.224 2133 D C 1.925 178.182 176.300 -0.072 0.000 1.029 2133 D CA 1.594 55.595 54.000 0.001 0.000 0.879 2133 D CB -0.193 40.596 40.800 -0.019 0.000 0.906 2133 D HN 0.366 nan 8.370 nan 0.000 0.528 2134 T N -2.348 112.183 114.554 -0.037 0.000 3.088 2134 T HA -0.000 4.350 4.350 0.001 0.000 0.259 2134 T C 1.723 176.236 174.700 -0.312 0.000 1.122 2134 T CA 0.208 62.279 62.100 -0.047 0.000 1.095 2134 T CB 0.342 69.297 68.868 0.145 0.000 0.930 2134 T HN 0.017 nan 8.240 nan 0.000 0.508 2135 K N 1.693 121.653 120.400 -0.733 0.000 2.063 2135 K HA -0.148 4.173 4.320 0.001 0.000 0.208 2135 K C 2.102 178.348 176.600 -0.590 0.000 1.048 2135 K CA 1.774 57.262 56.287 -1.331 0.000 0.928 2135 K CB -0.345 31.257 32.500 -1.497 0.000 0.713 2135 K HN 0.488 nan 8.250 nan 0.000 0.442 2136 N N -0.358 118.132 118.700 -0.350 0.000 2.244 2136 N HA -0.129 4.612 4.740 0.001 0.000 0.183 2136 N C 1.659 177.083 175.510 -0.144 0.000 1.016 2136 N CA 0.802 53.731 53.050 -0.201 0.000 0.866 2136 N CB 0.175 38.583 38.487 -0.131 0.000 0.980 2136 N HN -0.023 nan 8.380 nan 0.000 0.430 2137 V N 0.595 120.429 119.914 -0.134 0.000 2.261 2137 V HA -0.187 3.934 4.120 0.001 0.000 0.246 2137 V C 2.225 178.282 176.094 -0.062 0.000 1.047 2137 V CA 1.315 63.571 62.300 -0.073 0.000 1.015 2137 V CB -0.426 31.366 31.823 -0.051 0.000 0.642 2137 V HN 0.129 nan 8.190 nan 0.000 0.446 2138 V N 0.133 119.994 119.914 -0.089 0.000 2.392 2138 V HA -0.317 3.804 4.120 0.001 0.000 0.249 2138 V C 2.464 178.538 176.094 -0.033 0.000 1.059 2138 V CA 2.405 64.680 62.300 -0.042 0.000 1.051 2138 V CB -0.613 31.194 31.823 -0.027 0.000 0.658 2138 V HN 0.718 nan 8.190 nan 0.000 0.455 2139 E N 0.184 120.339 120.200 -0.074 0.000 2.106 2139 E HA -0.240 4.111 4.350 0.001 0.000 0.192 2139 E C 2.252 178.868 176.600 0.027 0.000 0.984 2139 E CA 1.195 57.579 56.400 -0.027 0.000 0.806 2139 E CB -0.046 29.615 29.700 -0.066 0.000 0.750 2139 E HN 0.584 nan 8.360 nan 0.000 0.458 2140 K N 0.281 120.678 120.400 -0.005 0.000 2.063 2140 K HA -0.148 4.173 4.320 0.001 0.000 0.208 2140 K C 2.288 178.950 176.600 0.103 0.000 1.048 2140 K CA 1.359 57.660 56.287 0.024 0.000 0.928 2140 K CB -0.146 32.346 32.500 -0.015 0.000 0.713 2140 K HN 0.218 nan 8.250 nan 0.000 0.442 2141 L N 1.093 122.353 121.223 0.063 0.000 2.046 2141 L HA -0.206 4.134 4.340 0.001 0.000 0.208 2141 L C 2.344 179.261 176.870 0.078 0.000 1.077 2141 L CA 1.389 56.269 54.840 0.066 0.000 0.747 2141 L CB -0.309 41.773 42.059 0.038 0.000 0.896 2141 L HN 0.147 nan 8.230 nan 0.000 0.432 2142 K N -0.497 119.948 120.400 0.075 0.000 2.026 2142 K HA -0.230 4.090 4.320 0.001 0.000 0.208 2142 K C 2.087 178.742 176.600 0.091 0.000 1.048 2142 K CA 1.728 58.054 56.287 0.066 0.000 0.929 2142 K CB -0.385 32.151 32.500 0.059 0.000 0.713 2142 K HN 0.091 nan 8.250 nan 0.000 0.439 2143 F N 1.410 121.354 119.950 -0.010 0.000 2.120 2143 F HA -0.171 4.357 4.527 0.001 0.000 0.300 2143 F C 1.929 177.728 175.800 -0.002 0.000 1.095 2143 F CA 1.867 59.863 58.000 -0.007 0.000 1.249 2143 F CB -0.469 38.525 39.000 -0.010 0.000 0.995 2143 F HN 0.020 nan 8.300 nan 0.000 0.480 2144 G N -1.197 107.712 108.800 0.181 0.000 2.776 2144 G HA2 0.238 4.199 3.960 0.001 0.000 0.209 2144 G HA3 0.238 4.199 3.960 0.001 0.000 0.209 2144 G C 1.295 176.190 174.900 -0.009 0.000 1.145 2144 G CA 0.406 45.554 45.100 0.081 0.000 0.791 2144 G HN 1.064 nan 8.290 nan 0.000 0.530 2145 G N -1.577 107.206 108.800 -0.028 0.000 2.141 2145 G HA2 0.138 4.098 3.960 0.001 0.000 0.231 2145 G HA3 0.138 4.098 3.960 0.001 0.000 0.231 2145 G C 0.445 175.342 174.900 -0.005 0.000 0.984 2145 G CA 0.174 45.255 45.100 -0.032 0.000 0.660 2145 G HN 1.296 nan 8.290 nan 0.000 0.525 2146 A N -0.286 122.541 122.820 0.012 0.000 2.371 2146 A HA 0.745 5.066 4.320 0.001 0.000 0.257 2146 A C 1.220 178.807 177.584 0.004 0.000 1.089 2146 A CA 0.671 52.717 52.037 0.014 0.000 0.794 2146 A CB 0.550 19.564 19.000 0.024 0.000 1.029 2146 A HN 0.218 nan 8.150 nan 0.000 0.488 2147 K N 0.670 121.069 120.400 -0.001 0.000 2.403 2147 K HA 0.124 4.444 4.320 0.001 0.000 0.199 2147 K C 0.120 176.697 176.600 -0.039 0.000 1.199 2147 K CA 0.346 56.626 56.287 -0.012 0.000 0.924 2147 K CB 0.476 32.972 32.500 -0.006 0.000 1.137 2147 K HN 0.805 nan 8.250 nan 0.000 0.510 2148 E N 1.861 122.036 120.200 -0.042 0.000 2.035 2148 E HA 0.306 4.657 4.350 0.001 0.000 0.271 2148 E C -1.125 175.377 176.600 -0.163 0.000 0.953 2148 E CA -0.196 56.134 56.400 -0.117 0.000 0.777 2148 E CB 0.413 30.095 29.700 -0.029 0.000 1.104 2148 E HN 0.078 nan 8.360 nan 0.000 0.408 2149 I N 4.400 124.807 120.570 -0.271 0.000 2.433 2149 I HA 0.331 4.502 4.170 0.001 0.000 0.292 2149 I C -1.003 174.903 176.117 -0.353 0.000 1.001 2149 I CA -0.832 60.355 61.300 -0.189 0.000 1.119 2149 I CB 1.119 39.084 38.000 -0.059 0.000 1.289 2149 I HN 0.462 nan 8.210 nan 0.000 0.438 2150 Y N 5.598 125.907 120.300 0.015 0.000 2.485 2150 Y HA 0.663 5.214 4.550 0.001 0.000 0.345 2150 Y C -0.502 175.394 175.900 -0.006 0.000 0.998 2150 Y CA -0.851 57.250 58.100 0.001 0.000 1.059 2150 Y CB 1.870 40.321 38.460 -0.015 0.000 1.234 2150 Y HN 0.263 nan 8.280 nan 0.000 0.461 2151 L N 2.508 123.822 121.223 0.152 0.000 2.356 2151 L HA 0.554 4.894 4.340 0.001 0.000 0.277 2151 L C -0.734 176.144 176.870 0.014 0.000 0.996 2151 L CA -0.549 54.330 54.840 0.064 0.000 0.822 2151 L CB 2.069 44.174 42.059 0.077 0.000 1.256 2151 L HN 0.652 nan 8.230 nan 0.000 0.413 2152 T N 1.319 115.833 114.554 -0.066 0.000 2.758 2152 T HA 0.217 4.567 4.350 0.001 0.000 0.285 2152 T C -0.272 174.320 174.700 -0.181 0.000 0.981 2152 T CA -0.432 61.585 62.100 -0.139 0.000 0.965 2152 T CB 1.471 70.188 68.868 -0.252 0.000 0.927 2152 T HN 0.415 nan 8.240 nan 0.000 0.448 2153 E N 2.825 122.945 120.200 -0.133 0.000 2.290 2153 E HA 0.258 4.609 4.350 0.001 0.000 0.277 2153 E C 0.441 176.897 176.600 -0.239 0.000 1.035 2153 E CA -0.469 55.848 56.400 -0.138 0.000 0.873 2153 E CB 0.439 30.132 29.700 -0.012 0.000 1.029 2153 E HN 0.621 nan 8.360 nan 0.000 0.419 2154 R N 3.026 123.370 120.500 -0.261 0.000 2.582 2154 R HA 0.488 4.829 4.340 0.001 0.000 0.453 2154 R C 0.078 176.253 176.300 -0.209 0.000 0.969 2154 R CA -0.198 55.730 56.100 -0.287 0.000 1.113 2154 R CB 0.022 30.107 30.300 -0.358 0.000 1.507 2154 R HN 0.680 nan 8.270 nan 0.000 0.587 2155 G N -0.003 108.686 108.800 -0.185 0.000 2.690 2155 G HA2 -0.030 3.931 3.960 0.001 0.000 0.686 2155 G HA3 -0.030 3.931 3.960 0.001 0.000 0.686 2155 G C -0.877 173.933 174.900 -0.150 0.000 1.277 2155 G CA -0.431 44.579 45.100 -0.150 0.000 0.799 2155 G HN 0.207 nan 8.290 nan 0.000 0.613 2156 T N 1.094 115.582 114.554 -0.109 0.000 2.893 2156 T HA 0.633 4.984 4.350 0.001 0.000 0.293 2156 T C 0.458 175.171 174.700 0.021 0.000 1.027 2156 T CA 0.026 62.080 62.100 -0.077 0.000 0.988 2156 T CB 1.635 70.444 68.868 -0.099 0.000 1.043 2156 T HN 0.913 nan 8.240 nan 0.000 0.461 2157 T N 3.229 117.814 114.554 0.053 0.000 2.800 2157 T HA 0.100 4.451 4.350 0.001 0.000 0.283 2157 T C -0.664 174.134 174.700 0.163 0.000 0.999 2157 T CA 0.604 62.770 62.100 0.108 0.000 1.176 2157 T CB -0.478 68.457 68.868 0.113 0.000 0.973 2157 T HN 0.413 nan 8.240 nan 0.000 0.519 2158 F N 4.121 124.059 119.950 -0.021 0.000 2.676 2158 F HA 0.526 5.053 4.527 0.001 0.000 0.371 2158 F C 0.713 176.479 175.800 -0.057 0.000 1.141 2158 F CA 0.066 58.041 58.000 -0.042 0.000 1.133 2158 F CB -0.084 38.892 39.000 -0.039 0.000 1.376 2158 F HN 0.923 nan 8.300 nan 0.000 0.491 2159 G N 3.065 111.606 108.800 -0.431 0.000 2.598 2159 G HA2 -0.297 3.664 3.960 0.001 0.000 0.244 2159 G HA3 -0.297 3.664 3.960 0.001 0.000 0.244 2159 G C -1.294 173.430 174.900 -0.292 0.000 1.302 2159 G CA -0.292 44.503 45.100 -0.508 0.000 0.903 2159 G HN 0.528 nan 8.290 nan 0.000 0.575 2160 Y N 1.782 122.039 120.300 -0.071 0.000 2.308 2160 Y HA 0.466 5.017 4.550 0.001 0.000 0.329 2160 Y C 1.479 177.385 175.900 0.011 0.000 1.111 2160 Y CA -0.483 57.606 58.100 -0.018 0.000 1.179 2160 Y CB 0.989 39.437 38.460 -0.020 0.000 1.201 2160 Y HN 0.647 nan 8.280 nan 0.000 0.483 2161 N N 1.722 120.554 118.700 0.221 0.000 2.725 2161 N HA -0.319 4.422 4.740 0.001 0.000 0.249 2161 N C -0.765 174.825 175.510 0.133 0.000 1.103 2161 N CA 1.013 54.151 53.050 0.148 0.000 0.707 2161 N CB -1.138 37.421 38.487 0.120 0.000 1.043 2161 N HN 0.880 nan 8.380 nan 0.000 0.553 2162 N N -0.347 118.438 118.700 0.141 0.000 2.405 2162 N HA 0.556 5.297 4.740 0.001 0.000 0.274 2162 N C -1.479 174.130 175.510 0.165 0.000 1.170 2162 N CA -0.534 52.608 53.050 0.154 0.000 0.848 2162 N CB 1.608 40.212 38.487 0.194 0.000 1.629 2162 N HN -0.022 nan 8.380 nan 0.000 0.481 2163 L N 2.117 123.414 121.223 0.124 0.000 2.381 2163 L HA 0.692 5.033 4.340 0.001 0.000 0.268 2163 L C -0.724 176.150 176.870 0.007 0.000 0.997 2163 L CA -0.981 53.904 54.840 0.075 0.000 0.818 2163 L CB 2.053 44.129 42.059 0.029 0.000 1.310 2163 L HN 0.276 nan 8.230 nan 0.000 0.416 2164 V N 3.014 122.890 119.914 -0.063 0.000 2.823 2164 V HA 0.565 4.686 4.120 0.001 0.000 0.312 2164 V C -0.817 175.154 176.094 -0.205 0.000 1.072 2164 V CA -0.502 61.672 62.300 -0.210 0.000 0.937 2164 V CB 2.610 34.152 31.823 -0.469 0.000 1.013 2164 V HN 0.404 nan 8.190 nan 0.000 0.430 2165 V N 4.937 124.702 119.914 -0.248 0.000 2.333 2165 V HA 0.368 4.489 4.120 0.001 0.000 0.274 2165 V C -0.314 175.512 176.094 -0.447 0.000 1.028 2165 V CA -0.458 61.606 62.300 -0.393 0.000 0.851 2165 V CB 1.291 32.769 31.823 -0.574 0.000 1.000 2165 V HN 0.913 nan 8.190 nan 0.000 0.456 2166 D N 4.049 124.238 120.400 -0.352 0.000 2.441 2166 D HA 0.238 4.878 4.640 0.001 0.000 0.221 2166 D C 0.713 176.869 176.300 -0.241 0.000 1.156 2166 D CA -0.348 53.522 54.000 -0.217 0.000 0.896 2166 D CB 0.526 41.238 40.800 -0.147 0.000 1.028 2166 D HN 0.405 nan 8.370 nan 0.000 0.509 2167 F N 1.931 121.833 119.950 -0.080 0.000 2.583 2167 F HA -0.009 4.519 4.527 0.001 0.000 0.297 2167 F C 2.247 178.007 175.800 -0.066 0.000 1.131 2167 F CA 0.410 58.358 58.000 -0.086 0.000 1.467 2167 F CB 0.023 38.955 39.000 -0.113 0.000 1.097 2167 F HN 0.280 nan 8.300 nan 0.000 0.586 2168 R N -0.187 120.360 120.500 0.078 0.000 2.189 2168 R HA -0.136 4.205 4.340 0.001 0.000 0.223 2168 R C 2.508 178.823 176.300 0.025 0.000 1.092 2168 R CA 1.299 57.434 56.100 0.059 0.000 0.989 2168 R CB -0.522 29.823 30.300 0.075 0.000 0.876 2168 R HN 0.355 nan 8.270 nan 0.000 0.457 2169 S N 0.717 116.399 115.700 -0.029 0.000 2.399 2169 S HA -0.129 4.342 4.470 0.001 0.000 0.231 2169 S C 1.877 176.445 174.600 -0.054 0.000 1.022 2169 S CA 0.791 58.952 58.200 -0.064 0.000 0.983 2169 S CB -0.176 62.946 63.200 -0.130 0.000 0.803 2169 S HN 0.070 nan 8.310 nan 0.000 0.480 2170 L N 2.809 124.013 121.223 -0.030 0.000 1.970 2170 L HA 0.018 4.358 4.340 0.001 0.000 0.212 2170 L C -0.353 176.472 176.870 -0.076 0.000 1.071 2170 L CA 2.074 56.894 54.840 -0.032 0.000 0.751 2170 L CB -1.605 40.463 42.059 0.014 0.000 0.889 2170 L HN 0.290 nan 8.230 nan 0.000 0.432 2171 P HA -0.128 nan 4.420 nan 0.000 0.219 2171 P C 2.075 179.286 177.300 -0.149 0.000 1.150 2171 P CA 1.476 64.518 63.100 -0.097 0.000 0.814 2171 P CB 0.108 31.774 31.700 -0.055 0.000 0.787 2172 I N -0.534 119.969 120.570 -0.113 0.000 2.142 2172 I HA -0.226 3.945 4.170 0.001 0.000 0.240 2172 I C 2.773 178.629 176.117 -0.435 0.000 1.078 2172 I CA 1.644 62.851 61.300 -0.155 0.000 1.343 2172 I CB -0.626 37.406 38.000 0.053 0.000 1.046 2172 I HN -0.164 nan 8.210 nan 0.000 0.405 2173 M N 0.049 119.466 119.600 -0.304 0.000 2.229 2173 M HA -0.174 4.307 4.480 0.001 0.000 0.264 2173 M C 2.198 178.147 176.300 -0.585 0.000 1.063 2173 M CA 1.229 56.290 55.300 -0.398 0.000 1.114 2173 M CB -0.412 32.146 32.600 -0.070 0.000 1.387 2173 M HN 0.009 nan 8.290 nan 0.000 0.420 2174 K N 1.268 121.441 120.400 -0.377 0.000 2.281 2174 K HA -0.176 4.145 4.320 0.001 0.000 0.203 2174 K C 1.642 178.023 176.600 -0.366 0.000 1.046 2174 K CA 1.556 57.672 56.287 -0.284 0.000 0.938 2174 K CB -0.233 32.155 32.500 -0.187 0.000 0.737 2174 K HN 0.450 nan 8.250 nan 0.000 0.458 2175 Q N -1.234 118.186 119.800 -0.632 0.000 2.226 2175 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 2175 Q C 0.798 176.610 176.000 -0.313 0.000 0.975 2175 Q CA 1.734 57.212 55.803 -0.542 0.000 0.866 2175 Q CB -0.127 28.141 28.738 -0.784 0.000 0.915 2175 Q HN 0.688 nan 8.270 nan 0.000 0.440 2176 W N -2.229 119.074 121.300 0.004 0.000 2.534 2176 W HA 0.707 5.367 4.660 0.001 0.000 0.339 2176 W C -0.036 176.467 176.519 -0.027 0.000 0.961 2176 W CA -0.179 57.163 57.345 -0.006 0.000 1.545 2176 W CB 0.323 29.786 29.460 0.005 0.000 1.104 2176 W HN -0.089 nan 8.180 nan 0.000 0.538 2177 A N 0.748 123.608 122.820 0.066 0.000 2.599 2177 A HA 0.629 4.950 4.320 0.001 0.000 0.290 2177 A C -1.042 176.516 177.584 -0.043 0.000 1.101 2177 A CA -1.240 50.816 52.037 0.031 0.000 0.674 2177 A CB 0.987 20.051 19.000 0.106 0.000 1.277 2177 A HN 0.015 nan 8.150 nan 0.000 0.419 2178 K N 0.401 120.751 120.400 -0.084 0.000 2.270 2178 K HA 0.511 4.832 4.320 0.001 0.000 0.276 2178 K C -0.878 175.767 176.600 0.074 0.000 1.023 2178 K CA -0.267 56.006 56.287 -0.024 0.000 0.955 2178 K CB 1.302 33.766 32.500 -0.060 0.000 0.975 2178 K HN 0.363 nan 8.250 nan 0.000 0.471 2179 V N 4.863 124.811 119.914 0.056 0.000 2.435 2179 V HA 0.322 4.443 4.120 0.001 0.000 0.290 2179 V C -0.083 176.046 176.094 0.059 0.000 1.030 2179 V CA -0.845 61.486 62.300 0.051 0.000 0.881 2179 V CB 1.215 33.038 31.823 0.000 0.000 0.983 2179 V HN 0.581 nan 8.190 nan 0.000 0.445 2180 I N 4.385 124.984 120.570 0.048 0.000 2.493 2180 I HA 0.383 4.554 4.170 0.001 0.000 0.298 2180 I C -0.779 175.368 176.117 0.051 0.000 0.998 2180 I CA -0.824 60.484 61.300 0.013 0.000 1.137 2180 I CB 1.708 39.680 38.000 -0.046 0.000 1.310 2180 I HN 0.667 nan 8.210 nan 0.000 0.445 2181 Y N 4.838 125.129 120.300 -0.015 0.000 2.331 2181 Y HA 0.330 4.881 4.550 0.001 0.000 0.338 2181 Y C -0.091 175.822 175.900 0.022 0.000 0.976 2181 Y CA -0.798 57.304 58.100 0.003 0.000 1.137 2181 Y CB 0.888 39.398 38.460 0.084 0.000 1.172 2181 Y HN 0.504 nan 8.280 nan 0.000 0.478 2182 D N 5.172 125.088 120.400 -0.807 0.000 2.411 2182 D HA 0.253 4.893 4.640 0.001 0.000 0.225 2182 D C 0.516 176.290 176.300 -0.876 0.000 1.156 2182 D CA 0.294 53.903 54.000 -0.652 0.000 0.874 2182 D CB 1.285 41.698 40.800 -0.646 0.000 1.034 2182 D HN 0.802 nan 8.370 nan 0.000 0.502 2183 A N 3.107 125.638 122.820 -0.482 0.000 2.067 2183 A HA -0.051 4.270 4.320 0.001 0.000 0.217 2183 A C 1.940 179.504 177.584 -0.033 0.000 1.156 2183 A CA 0.982 52.923 52.037 -0.159 0.000 0.683 2183 A CB 0.048 19.151 19.000 0.173 0.000 0.808 2183 A HN 0.549 nan 8.150 nan 0.000 0.455 2184 T N -0.885 113.635 114.554 -0.056 0.000 2.755 2184 T HA -0.029 4.322 4.350 0.001 0.000 0.251 2184 T C 1.699 176.290 174.700 -0.182 0.000 1.044 2184 T CA 1.674 63.706 62.100 -0.113 0.000 1.154 2184 T CB -0.404 68.358 68.868 -0.177 0.000 0.866 2184 T HN 0.696 nan 8.240 nan 0.000 0.416 2185 H N 0.750 119.773 119.070 -0.078 0.000 2.495 2185 H HA 0.184 4.741 4.556 0.001 0.000 0.287 2185 H C 2.436 177.700 175.328 -0.107 0.000 1.033 2185 H CA 0.888 56.874 56.048 -0.104 0.000 1.307 2185 H CB -0.032 29.617 29.762 -0.188 0.000 1.401 2185 H HN 0.170 nan 8.280 nan 0.000 0.555 2186 S N 0.147 115.823 115.700 -0.040 0.000 2.447 2186 S HA -0.096 4.374 4.470 0.001 0.000 0.233 2186 S C 2.015 176.632 174.600 0.028 0.000 1.006 2186 S CA 1.125 59.302 58.200 -0.038 0.000 0.957 2186 S CB -0.048 63.117 63.200 -0.058 0.000 0.773 2186 S HN 0.481 nan 8.310 nan 0.000 0.507 2187 V N -0.009 119.943 119.914 0.064 0.000 3.578 2187 V HA 0.221 4.342 4.120 0.001 0.000 0.290 2187 V C 0.435 176.593 176.094 0.107 0.000 1.376 2187 V CA -0.467 61.901 62.300 0.112 0.000 1.083 2187 V CB -0.694 31.247 31.823 0.197 0.000 0.911 2187 V HN 0.486 nan 8.190 nan 0.000 0.433 2188 Q N 1.437 121.281 119.800 0.074 0.000 2.293 2188 Q HA 0.579 4.919 4.340 0.001 0.000 0.251 2188 Q C -0.705 175.347 176.000 0.087 0.000 0.930 2188 Q CA -0.604 55.245 55.803 0.078 0.000 0.893 2188 Q CB 1.585 30.361 28.738 0.063 0.000 1.215 2188 Q HN 0.511 nan 8.270 nan 0.000 0.425 2189 L N 3.498 124.776 121.223 0.092 0.000 2.268 2189 L HA 0.366 4.707 4.340 0.001 0.000 0.289 2189 L C -2.065 174.863 176.870 0.096 0.000 1.064 2189 L CA -2.160 52.738 54.840 0.097 0.000 0.824 2189 L CB 0.255 42.373 42.059 0.097 0.000 1.202 2189 L HN 0.462 nan 8.230 nan 0.000 0.433 2190 P HA 0.143 nan 4.420 nan 0.000 0.266 2190 P C 0.502 177.862 177.300 0.099 0.000 1.193 2190 P CA 0.472 63.642 63.100 0.116 0.000 0.770 2190 P CB 0.610 32.395 31.700 0.142 0.000 0.836 2200 M N 1.281 120.984 119.600 0.172 0.000 2.080 2200 M HA 0.466 4.947 4.480 0.001 0.000 0.350 2200 M C 1.461 177.793 176.300 0.053 0.000 1.173 2200 M CA -0.494 54.868 55.300 0.104 0.000 1.052 2200 M CB 1.603 34.279 32.600 0.128 0.000 1.577 2200 M HN 0.667 nan 8.290 nan 0.000 0.455 2201 R N 2.647 123.140 120.500 -0.012 0.000 2.152 2201 R HA -0.179 4.161 4.340 0.001 0.000 0.232 2201 R C 1.583 177.854 176.300 -0.049 0.000 1.117 2201 R CA 1.986 58.081 56.100 -0.008 0.000 0.981 2201 R CB 0.041 30.329 30.300 -0.019 0.000 0.870 2201 R HN 0.883 nan 8.270 nan 0.000 0.451 2202 E N -0.604 119.471 120.200 -0.209 0.000 2.267 2202 E HA -0.205 4.146 4.350 0.001 0.000 0.197 2202 E C 0.761 177.180 176.600 -0.302 0.000 0.998 2202 E CA 1.071 57.276 56.400 -0.326 0.000 0.830 2202 E CB -0.209 29.151 29.700 -0.567 0.000 0.751 2202 E HN 0.400 nan 8.360 nan 0.000 0.491 2203 F N 0.540 120.540 119.950 0.084 0.000 2.746 2203 F HA 0.311 4.839 4.527 0.001 0.000 0.297 2203 F C 1.855 177.739 175.800 0.140 0.000 1.113 2203 F CA -0.491 57.566 58.000 0.096 0.000 1.367 2203 F CB -0.067 38.983 39.000 0.083 0.000 1.111 2203 F HN -0.060 nan 8.300 nan 0.000 0.590 2204 I N -0.369 120.370 120.570 0.282 0.000 2.118 2204 I HA -0.381 3.789 4.170 0.001 0.000 0.241 2204 I C 2.549 178.877 176.117 0.352 0.000 1.070 2204 I CA 1.914 63.377 61.300 0.272 0.000 1.327 2204 I CB -0.527 37.577 38.000 0.173 0.000 1.034 2204 I HN 0.139 nan 8.210 nan 0.000 0.405 2205 F N 1.825 121.846 119.950 0.118 0.000 2.102 2205 F HA -0.153 4.374 4.527 0.001 0.000 0.298 2205 F C -0.371 175.486 175.800 0.095 0.000 1.105 2205 F CA 1.138 59.195 58.000 0.095 0.000 1.239 2205 F CB -1.007 38.026 39.000 0.054 0.000 0.991 2205 F HN 0.021 nan 8.300 nan 0.000 0.474 2206 P HA -0.206 nan 4.420 nan 0.000 0.215 2206 P C 1.791 179.106 177.300 0.024 0.000 1.153 2206 P CA 1.550 64.634 63.100 -0.026 0.000 0.853 2206 P CB -0.095 31.646 31.700 0.069 0.000 0.788 2207 L N -1.586 119.737 121.223 0.165 0.000 2.201 2207 L HA -0.108 4.232 4.340 0.001 0.000 0.212 2207 L C 2.374 179.301 176.870 0.095 0.000 1.105 2207 L CA 1.183 56.134 54.840 0.185 0.000 0.775 2207 L CB -0.736 41.552 42.059 0.382 0.000 0.913 2207 L HN -0.005 nan 8.230 nan 0.000 0.440 2208 I N -0.258 120.459 120.570 0.246 0.000 2.315 2208 I HA -0.271 3.900 4.170 0.001 0.000 0.248 2208 I C 2.771 178.941 176.117 0.089 0.000 1.117 2208 I CA 1.139 62.599 61.300 0.267 0.000 1.404 2208 I CB -0.193 38.056 38.000 0.415 0.000 1.071 2208 I HN 0.255 nan 8.210 nan 0.000 0.419 2209 R N 0.609 121.125 120.500 0.027 0.000 2.081 2209 R HA -0.127 4.214 4.340 0.001 0.000 0.235 2209 R C 2.419 178.618 176.300 -0.168 0.000 1.131 2209 R CA 1.458 57.512 56.100 -0.076 0.000 0.960 2209 R CB -0.447 29.734 30.300 -0.198 0.000 0.856 2209 R HN 0.340 nan 8.270 nan 0.000 0.436 2210 A N 1.402 124.047 122.820 -0.291 0.000 1.933 2210 A HA -0.104 4.216 4.320 0.001 0.000 0.218 2210 A C 2.393 179.646 177.584 -0.550 0.000 1.175 2210 A CA 1.644 53.355 52.037 -0.544 0.000 0.628 2210 A CB -0.550 17.875 19.000 -0.958 0.000 0.814 2210 A HN 0.390 nan 8.150 nan 0.000 0.444 2211 A N -0.038 122.535 122.820 -0.411 0.000 1.902 2211 A HA -0.036 4.285 4.320 0.001 0.000 0.217 2211 A C 2.301 179.837 177.584 -0.080 0.000 1.181 2211 A CA 2.296 54.196 52.037 -0.228 0.000 0.623 2211 A CB -1.185 17.570 19.000 -0.409 0.000 0.818 2211 A HN 1.156 nan 8.150 nan 0.000 0.443 2212 V N -2.953 116.947 119.914 -0.022 0.000 2.719 2212 V HA 0.147 4.268 4.120 0.001 0.000 0.252 2212 V C 2.417 178.563 176.094 0.087 0.000 1.065 2212 V CA 1.474 63.809 62.300 0.058 0.000 1.086 2212 V CB -1.145 30.702 31.823 0.041 0.000 0.700 2212 V HN 0.475 nan 8.190 nan 0.000 0.467 2213 A N 0.470 123.288 122.820 -0.004 0.000 1.968 2213 A HA 0.008 4.329 4.320 0.001 0.000 0.217 2213 A C 2.309 179.940 177.584 0.077 0.000 1.169 2213 A CA 1.897 53.958 52.037 0.040 0.000 0.638 2213 A CB -0.613 18.342 19.000 -0.075 0.000 0.812 2213 A HN 0.428 nan 8.150 nan 0.000 0.446 2214 V N -0.879 118.994 119.914 -0.069 0.000 2.323 2214 V HA 0.282 4.402 4.120 0.001 0.000 0.244 2214 V C 1.320 177.275 176.094 -0.232 0.000 1.041 2214 V CA 1.355 63.598 62.300 -0.094 0.000 1.025 2214 V CB -1.139 30.618 31.823 -0.109 0.000 0.656 2214 V HN 1.216 nan 8.190 nan 0.000 0.451 2215 G N -0.162 108.413 108.800 -0.375 0.000 3.393 2215 G HA2 0.114 4.075 3.960 0.001 0.000 0.676 2215 G HA3 0.114 4.075 3.960 0.001 0.000 0.676 2215 G C -0.772 173.900 174.900 -0.380 0.000 1.224 2215 G CA -0.641 43.921 45.100 -0.897 0.000 1.109 2215 G HN 1.054 nan 8.290 nan 0.000 0.519 2216 C N 0.459 119.655 119.300 -0.174 0.000 3.241 2216 C HA 0.841 5.302 4.460 0.001 0.000 0.312 2216 C C 0.543 175.608 174.990 0.125 0.000 1.350 2216 C CA -0.600 58.420 59.018 0.004 0.000 1.415 2216 C CB 1.952 29.748 27.740 0.093 0.000 1.770 2216 C HN 0.647 nan 8.230 nan 0.000 0.466 2217 D N 0.515 120.950 120.400 0.058 0.000 2.340 2217 D HA 0.380 5.021 4.640 0.001 0.000 0.220 2217 D C 0.818 176.935 176.300 -0.305 0.000 1.039 2217 D CA 1.372 55.389 54.000 0.028 0.000 0.866 2217 D CB 0.803 41.636 40.800 0.055 0.000 0.913 2217 D HN 1.109 nan 8.370 nan 0.000 0.523 2218 G N -0.485 108.058 108.800 -0.428 0.000 2.368 2218 G HA2 0.376 4.336 3.960 0.001 0.000 0.293 2218 G HA3 0.376 4.336 3.960 0.001 0.000 0.293 2218 G C -1.890 172.788 174.900 -0.370 0.000 1.467 2218 G CA -0.552 43.995 45.100 -0.923 0.000 0.804 2218 G HN -0.046 nan 8.290 nan 0.000 0.535 2219 V N 0.380 120.104 119.914 -0.316 0.000 2.789 2219 V HA 0.719 4.839 4.120 0.001 0.000 0.311 2219 V C -1.282 174.830 176.094 0.029 0.000 1.073 2219 V CA -0.711 61.612 62.300 0.038 0.000 0.921 2219 V CB 1.858 33.819 31.823 0.230 0.000 1.009 2219 V HN 0.842 nan 8.190 nan 0.000 0.426 2220 F N 5.854 125.736 119.950 -0.114 0.000 2.444 2220 F HA 0.832 5.360 4.527 0.001 0.000 0.342 2220 F C -0.480 175.252 175.800 -0.114 0.000 1.121 2220 F CA -0.913 57.006 58.000 -0.136 0.000 0.997 2220 F CB 1.465 40.372 39.000 -0.155 0.000 1.130 2220 F HN 0.397 nan 8.300 nan 0.000 0.454 2221 M N 5.738 125.250 119.600 -0.146 0.000 2.224 2221 M HA 0.271 4.752 4.480 0.001 0.000 0.281 2221 M C -1.126 175.020 176.300 -0.257 0.000 1.025 2221 M CA -0.497 54.750 55.300 -0.087 0.000 0.954 2221 M CB 2.552 35.122 32.600 -0.050 0.000 1.639 2221 M HN 0.540 nan 8.290 nan 0.000 0.461 2222 E N 1.573 121.675 120.200 -0.163 0.000 2.283 2222 E HA 0.416 4.767 4.350 0.001 0.000 0.278 2222 E C -0.488 176.049 176.600 -0.105 0.000 1.027 2222 E CA -0.160 56.134 56.400 -0.177 0.000 0.843 2222 E CB 1.913 31.552 29.700 -0.101 0.000 1.062 2222 E HN 0.453 nan 8.360 nan 0.000 0.401 2223 T N 2.051 116.545 114.554 -0.100 0.000 2.903 2223 T HA 0.258 4.608 4.350 0.001 0.000 0.299 2223 T C -1.672 173.040 174.700 0.020 0.000 1.093 2223 T CA -0.636 61.442 62.100 -0.037 0.000 1.002 2223 T CB 1.271 70.106 68.868 -0.055 0.000 1.127 2223 T HN 0.451 nan 8.240 nan 0.000 0.488 2224 H N 3.018 122.060 119.070 -0.048 0.000 2.894 2224 H HA 0.371 4.928 4.556 0.001 0.000 0.367 2224 H C -2.452 172.864 175.328 -0.021 0.000 1.144 2224 H CA -1.722 54.309 56.048 -0.029 0.000 1.180 2224 H CB 2.697 32.443 29.762 -0.027 0.000 1.758 2224 H HN 0.323 nan 8.280 nan 0.000 0.541 2225 P HA -0.086 nan 4.420 nan 0.000 0.216 2225 P C -0.662 176.756 177.300 0.197 0.000 1.150 2225 P CA 1.491 64.641 63.100 0.083 0.000 0.843 2225 P CB 0.422 32.111 31.700 -0.018 0.000 0.787 2226 E N -2.625 117.838 120.200 0.438 0.000 3.117 2226 E HA 0.143 4.494 4.350 0.001 0.000 0.262 2226 E C -2.232 174.316 176.600 -0.087 0.000 1.202 2226 E CA -1.528 54.962 56.400 0.149 0.000 0.853 2226 E CB 1.028 30.787 29.700 0.098 0.000 1.426 2226 E HN 0.048 nan 8.360 nan 0.000 0.387 2227 P HA -0.325 nan 4.420 nan 0.000 0.220 2227 P C 1.063 178.212 177.300 -0.251 0.000 1.155 2227 P CA 1.694 64.650 63.100 -0.239 0.000 0.880 2227 P CB 0.186 31.838 31.700 -0.081 0.000 0.790 2228 E N 0.196 120.308 120.200 -0.147 0.000 2.130 2228 E HA -0.215 4.136 4.350 0.001 0.000 0.196 2228 E C 1.327 177.849 176.600 -0.129 0.000 0.998 2228 E CA 1.253 57.589 56.400 -0.106 0.000 0.806 2228 E CB -0.812 28.852 29.700 -0.061 0.000 0.738 2228 E HN 0.326 nan 8.360 nan 0.000 0.459 2229 K N 0.645 120.941 120.400 -0.174 0.000 2.404 2229 K HA 0.300 4.620 4.320 0.001 0.000 0.194 2229 K C 0.274 176.738 176.600 -0.226 0.000 1.023 2229 K CA 0.101 56.300 56.287 -0.148 0.000 1.094 2229 K CB 0.683 33.144 32.500 -0.066 0.000 0.841 2229 K HN 0.116 nan 8.250 nan 0.000 0.523 2230 A N 1.174 123.753 122.820 -0.401 0.000 2.498 2230 A HA 0.092 4.413 4.320 0.001 0.000 0.239 2230 A C 0.941 178.429 177.584 -0.161 0.000 1.068 2230 A CA -0.096 51.722 52.037 -0.366 0.000 0.766 2230 A CB 0.116 18.865 19.000 -0.419 0.000 1.003 2230 A HN 0.298 nan 8.150 nan 0.000 0.497 2231 L N 1.257 122.397 121.223 -0.139 0.000 2.599 2231 L HA 0.135 4.475 4.340 0.001 0.000 0.230 2231 L C 0.975 177.863 176.870 0.030 0.000 1.141 2231 L CA 0.697 55.445 54.840 -0.154 0.000 0.877 2231 L CB -0.283 41.428 42.059 -0.580 0.000 1.009 2231 L HN 0.676 nan 8.230 nan 0.000 0.447 2232 S N -0.957 114.769 115.700 0.045 0.000 2.537 2232 S HA 0.264 4.735 4.470 0.001 0.000 0.271 2232 S C -0.942 173.686 174.600 0.047 0.000 1.148 2232 S CA -0.690 57.568 58.200 0.096 0.000 0.868 2232 S CB 1.138 64.441 63.200 0.173 0.000 1.115 2232 S HN 0.252 nan 8.310 nan 0.000 0.461 2233 D N 1.623 122.051 120.400 0.046 0.000 2.692 2233 D HA -0.181 4.460 4.640 0.001 0.000 0.233 2233 D C 1.135 177.420 176.300 -0.025 0.000 1.172 2233 D CA 1.065 55.072 54.000 0.012 0.000 0.636 2233 D CB -1.220 39.577 40.800 -0.005 0.000 1.028 2233 D HN 0.709 nan 8.370 nan 0.000 0.419 2234 A N -0.396 122.402 122.820 -0.036 0.000 1.933 2234 A HA -0.169 4.151 4.320 0.001 0.000 0.218 2234 A C 2.327 179.877 177.584 -0.057 0.000 1.175 2234 A CA 1.824 53.815 52.037 -0.077 0.000 0.628 2234 A CB -0.141 18.812 19.000 -0.078 0.000 0.814 2234 A HN 0.343 nan 8.150 nan 0.000 0.444 2235 S N -0.485 115.198 115.700 -0.029 0.000 2.423 2235 S HA -0.099 4.371 4.470 0.001 0.000 0.231 2235 S C 1.820 176.410 174.600 -0.017 0.000 1.014 2235 S CA 1.750 59.940 58.200 -0.017 0.000 0.965 2235 S CB -0.334 62.869 63.200 0.004 0.000 0.785 2235 S HN 0.896 nan 8.310 nan 0.000 0.495 2236 T N -1.354 113.184 114.554 -0.027 0.000 3.010 2236 T HA 0.239 4.590 4.350 0.001 0.000 0.257 2236 T C 0.370 175.042 174.700 -0.046 0.000 1.020 2236 T CA -0.319 61.761 62.100 -0.033 0.000 0.938 2236 T CB -0.010 68.828 68.868 -0.050 0.000 1.049 2236 T HN 0.163 nan 8.240 nan 0.000 0.522 2237 Q N 1.146 120.918 119.800 -0.047 0.000 2.332 2237 Q HA 0.400 4.740 4.340 0.001 0.000 0.263 2237 Q C -0.862 175.129 176.000 -0.016 0.000 0.979 2237 Q CA -0.411 55.374 55.803 -0.031 0.000 0.885 2237 Q CB 1.218 29.954 28.738 -0.004 0.000 1.218 2237 Q HN 0.329 nan 8.270 nan 0.000 0.405 2238 L N 5.440 126.654 121.223 -0.015 0.000 2.331 2238 L HA 0.273 4.613 4.340 0.001 0.000 0.278 2238 L C -2.312 174.558 176.870 0.001 0.000 1.106 2238 L CA -1.612 53.218 54.840 -0.016 0.000 0.824 2238 L CB 0.826 42.866 42.059 -0.032 0.000 1.142 2238 L HN 0.395 nan 8.230 nan 0.000 0.443 2239 P HA -0.021 nan 4.420 nan 0.000 0.264 2239 P C 0.921 178.223 177.300 0.003 0.000 1.193 2239 P CA 0.161 63.270 63.100 0.015 0.000 0.763 2239 P CB 0.561 32.263 31.700 0.003 0.000 0.810 2240 L N 2.978 124.208 121.223 0.012 0.000 2.051 2240 L HA -0.299 4.042 4.340 0.001 0.000 0.214 2240 L C 2.168 179.031 176.870 -0.011 0.000 1.076 2240 L CA 2.539 57.374 54.840 -0.008 0.000 0.758 2240 L CB -0.669 41.381 42.059 -0.014 0.000 0.890 2240 L HN 0.460 nan 8.230 nan 0.000 0.433 2241 S N -1.506 114.189 115.700 -0.007 0.000 2.440 2241 S HA -0.258 4.213 4.470 0.001 0.000 0.238 2241 S C 1.655 176.247 174.600 -0.014 0.000 1.010 2241 S CA 1.097 59.292 58.200 -0.008 0.000 0.972 2241 S CB -0.276 62.922 63.200 -0.004 0.000 0.774 2241 S HN 0.569 nan 8.310 nan 0.000 0.501 2242 Q N -0.295 119.488 119.800 -0.028 0.000 2.408 2242 Q HA 0.286 4.627 4.340 0.001 0.000 0.205 2242 Q C 1.785 177.738 176.000 -0.078 0.000 0.919 2242 Q CA 0.048 55.817 55.803 -0.057 0.000 0.932 2242 Q CB -0.117 28.577 28.738 -0.073 0.000 1.058 2242 Q HN 0.447 nan 8.270 nan 0.000 0.517 2243 L N 1.485 122.682 121.223 -0.045 0.000 2.012 2243 L HA -0.224 4.117 4.340 0.001 0.000 0.210 2243 L C 2.126 178.991 176.870 -0.008 0.000 1.073 2243 L CA 1.951 56.771 54.840 -0.034 0.000 0.748 2243 L CB -0.412 41.647 42.059 0.000 0.000 0.891 2243 L HN 0.217 nan 8.230 nan 0.000 0.431 2244 E N -0.960 119.266 120.200 0.044 0.000 2.038 2244 E HA -0.228 4.122 4.350 0.001 0.000 0.195 2244 E C 2.075 178.723 176.600 0.080 0.000 1.000 2244 E CA 1.295 57.773 56.400 0.132 0.000 0.803 2244 E CB -0.553 29.239 29.700 0.153 0.000 0.750 2244 E HN 0.610 nan 8.360 nan 0.000 0.448 2245 G N 1.027 109.836 108.800 0.015 0.000 2.442 2245 G HA2 -0.243 3.717 3.960 0.001 0.000 0.219 2245 G HA3 -0.243 3.717 3.960 0.001 0.000 0.219 2245 G C 1.581 176.419 174.900 -0.104 0.000 1.141 2245 G CA 0.833 45.925 45.100 -0.014 0.000 0.763 2245 G HN 0.271 nan 8.290 nan 0.000 0.554 2246 I N 0.242 120.675 120.570 -0.228 0.000 2.439 2246 I HA -0.047 4.124 4.170 0.001 0.000 0.251 2246 I C 2.554 178.576 176.117 -0.158 0.000 1.139 2246 I CA 0.546 61.627 61.300 -0.366 0.000 1.438 2246 I CB -0.080 37.644 38.000 -0.460 0.000 1.085 2246 I HN 0.173 nan 8.210 nan 0.000 0.427 2247 I N 0.451 120.926 120.570 -0.159 0.000 2.233 2247 I HA -0.253 3.918 4.170 0.001 0.000 0.243 2247 I C 2.596 178.520 176.117 -0.322 0.000 1.093 2247 I CA 1.121 62.261 61.300 -0.267 0.000 1.380 2247 I CB -0.313 37.434 38.000 -0.423 0.000 1.067 2247 I HN 0.172 nan 8.210 nan 0.000 0.413 2248 E N 1.783 121.858 120.200 -0.208 0.000 2.085 2248 E HA -0.232 4.118 4.350 0.001 0.000 0.194 2248 E C 2.084 178.688 176.600 0.007 0.000 0.994 2248 E CA 1.931 58.324 56.400 -0.011 0.000 0.801 2248 E CB -0.227 29.585 29.700 0.187 0.000 0.743 2248 E HN 0.410 nan 8.360 nan 0.000 0.453 2249 A N 1.155 124.001 122.820 0.043 0.000 1.902 2249 A HA -0.131 4.189 4.320 0.001 0.000 0.217 2249 A C 2.390 180.018 177.584 0.074 0.000 1.181 2249 A CA 1.792 53.902 52.037 0.122 0.000 0.623 2249 A CB -1.003 18.197 19.000 0.334 0.000 0.818 2249 A HN 0.543 nan 8.150 nan 0.000 0.443 2250 I N -3.041 117.547 120.570 0.030 0.000 2.546 2250 I HA -0.077 4.093 4.170 0.001 0.000 0.255 2250 I C 2.044 178.059 176.117 -0.170 0.000 1.163 2250 I CA 1.012 62.293 61.300 -0.032 0.000 1.457 2250 I CB -0.434 37.564 38.000 -0.004 0.000 1.092 2250 I HN 0.184 nan 8.210 nan 0.000 0.434 2251 L N 1.190 122.297 121.223 -0.193 0.000 2.093 2251 L HA -0.106 4.235 4.340 0.001 0.000 0.208 2251 L C 2.703 179.504 176.870 -0.116 0.000 1.085 2251 L CA 1.431 56.141 54.840 -0.216 0.000 0.755 2251 L CB -0.495 41.472 42.059 -0.155 0.000 0.904 2251 L HN 0.269 nan 8.230 nan 0.000 0.435 2252 E N 0.404 120.572 120.200 -0.053 0.000 2.031 2252 E HA -0.215 4.136 4.350 0.001 0.000 0.193 2252 E C 2.268 178.844 176.600 -0.040 0.000 0.994 2252 E CA 1.271 57.657 56.400 -0.025 0.000 0.800 2252 E CB -0.125 29.581 29.700 0.010 0.000 0.752 2252 E HN 0.438 nan 8.360 nan 0.000 0.447 2253 I N 0.970 121.519 120.570 -0.036 0.000 2.163 2253 I HA -0.299 3.872 4.170 0.001 0.000 0.243 2253 I C 2.785 178.874 176.117 -0.047 0.000 1.085 2253 I CA 1.198 62.478 61.300 -0.034 0.000 1.347 2253 I CB -0.271 37.715 38.000 -0.025 0.000 1.044 2253 I HN 0.045 nan 8.210 nan 0.000 0.408 2254 R N 0.970 121.421 120.500 -0.082 0.000 2.096 2254 R HA -0.226 4.114 4.340 0.001 0.000 0.235 2254 R C 2.337 178.556 176.300 -0.136 0.000 1.127 2254 R CA 1.567 57.615 56.100 -0.088 0.000 0.968 2254 R CB -0.262 29.908 30.300 -0.215 0.000 0.861 2254 R HN 0.274 nan 8.270 nan 0.000 0.440 2255 E N 0.350 120.478 120.200 -0.119 0.000 2.058 2255 E HA -0.154 4.197 4.350 0.001 0.000 0.194 2255 E C 1.855 178.382 176.600 -0.123 0.000 0.997 2255 E CA 1.702 58.036 56.400 -0.110 0.000 0.801 2255 E CB 0.000 29.659 29.700 -0.069 0.000 0.746 2255 E HN 0.290 nan 8.360 nan 0.000 0.450 2256 V N 0.929 120.791 119.914 -0.088 0.000 2.346 2256 V HA -0.142 3.978 4.120 0.001 0.000 0.244 2256 V C 2.528 178.581 176.094 -0.068 0.000 1.037 2256 V CA 1.607 63.869 62.300 -0.063 0.000 1.029 2256 V CB -0.718 31.096 31.823 -0.015 0.000 0.663 2256 V HN 0.329 nan 8.190 nan 0.000 0.454 2257 A N 0.833 123.610 122.820 -0.073 0.000 1.969 2257 A HA -0.162 4.159 4.320 0.001 0.000 0.218 2257 A C 2.484 179.810 177.584 -0.430 0.000 1.169 2257 A CA 1.789 53.801 52.037 -0.042 0.000 0.635 2257 A CB -0.732 18.307 19.000 0.066 0.000 0.810 2257 A HN 0.674 nan 8.150 nan 0.000 0.445 2258 S N 0.435 115.648 115.700 -0.812 0.000 2.441 2258 S HA -0.277 4.194 4.470 0.001 0.000 0.242 2258 S C 1.788 175.895 174.600 -0.821 0.000 1.018 2258 S CA 1.703 59.032 58.200 -1.451 0.000 0.988 2258 S CB -0.475 62.287 63.200 -0.729 0.000 0.778 2258 S HN 0.685 nan 8.310 nan 0.000 0.498 2259 K N 0.448 120.504 120.400 -0.574 0.000 2.280 2259 K HA -0.108 4.213 4.320 0.001 0.000 0.202 2259 K C 0.675 176.876 176.600 -0.664 0.000 1.047 2259 K CA 1.238 57.155 56.287 -0.617 0.000 0.942 2259 K CB -0.193 31.833 32.500 -0.790 0.000 0.739 2259 K HN 0.643 nan 8.250 nan 0.000 0.457 2260 Y N -0.819 119.380 120.300 -0.168 0.000 2.507 2260 Y HA 0.161 4.712 4.550 0.001 0.000 0.254 2260 Y C -0.366 175.603 175.900 0.114 0.000 1.171 2260 Y CA -1.049 57.036 58.100 -0.026 0.000 1.238 2260 Y CB 0.228 38.681 38.460 -0.011 0.000 1.148 2260 Y HN -0.143 nan 8.280 nan 0.000 0.525 2261 Y N 2.261 122.603 120.300 0.071 0.000 2.632 2261 Y HA 0.062 4.613 4.550 0.001 0.000 0.329 2261 Y C 0.695 176.613 175.900 0.031 0.000 1.174 2261 Y CA -0.935 57.192 58.100 0.045 0.000 1.469 2261 Y CB -0.148 38.326 38.460 0.024 0.000 1.242 2261 Y HN 0.148 nan 8.280 nan 0.000 0.540 2262 E N 0.758 121.063 120.200 0.176 0.000 2.392 2262 E HA 0.100 4.451 4.350 0.001 0.000 0.264 2262 E C -0.050 176.589 176.600 0.065 0.000 1.024 2262 E CA -0.040 56.416 56.400 0.094 0.000 0.903 2262 E CB 0.250 29.982 29.700 0.054 0.000 0.963 2262 E HN 0.415 nan 8.360 nan 0.000 0.432 2263 T N 4.267 118.849 114.554 0.046 0.000 2.758 2263 T HA 0.021 4.371 4.350 0.001 0.000 0.281 2263 T C 1.053 175.756 174.700 0.005 0.000 0.963 2263 T CA -0.010 62.108 62.100 0.029 0.000 1.201 2263 T CB -0.394 68.487 68.868 0.021 0.000 0.906 2263 T HN 0.494 nan 8.240 nan 0.000 0.528 2264 I N 0.000 120.567 120.570 -0.005 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.276 61.300 -0.039 0.000 1.566 2264 I CB 0.000 37.980 38.000 -0.033 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494