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 1fxq_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGG LGDKSGGMRE 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 0.000 176.690 176.600 0.150 0.000 0.988 2003 K CA 0.000 56.363 56.287 0.127 0.000 0.838 2003 K CB 0.000 32.570 32.500 0.117 0.000 1.064 2004 F N 1.682 121.642 119.950 0.017 0.000 2.608 2004 F HA 0.133 4.661 4.527 0.001 0.000 0.380 2004 F C -0.118 175.644 175.800 -0.063 0.000 1.083 2004 F CA -0.284 57.711 58.000 -0.009 0.000 1.266 2004 F CB 0.463 39.449 39.000 -0.023 0.000 1.076 2004 F HN 0.419 nan 8.300 nan 0.000 0.574 2005 L N 6.886 127.751 121.223 -0.597 0.000 2.307 2005 L HA 0.546 4.887 4.340 0.001 0.000 0.282 2005 L C -1.165 175.321 176.870 -0.639 0.000 1.051 2005 L CA -0.416 54.137 54.840 -0.479 0.000 0.804 2005 L CB 1.523 43.392 42.059 -0.318 0.000 1.197 2005 L HN 0.369 nan 8.230 nan 0.000 0.431 2006 V N 6.783 126.405 119.914 -0.487 0.000 2.380 2006 V HA 0.412 4.533 4.120 0.001 0.000 0.286 2006 V C -0.118 175.813 176.094 -0.272 0.000 1.015 2006 V CA -0.418 61.630 62.300 -0.420 0.000 0.834 2006 V CB 1.354 32.820 31.823 -0.595 0.000 1.009 2006 V HN 0.555 nan 8.190 nan 0.000 0.428 2007 I N 4.606 125.035 120.570 -0.235 0.000 2.315 2007 I HA 0.797 4.967 4.170 0.001 0.000 0.291 2007 I C 0.378 176.258 176.117 -0.394 0.000 1.006 2007 I CA -0.025 61.121 61.300 -0.257 0.000 1.265 2007 I CB 1.442 39.316 38.000 -0.211 0.000 1.387 2007 I HN 0.691 nan 8.210 nan 0.000 0.475 2008 A N 4.583 127.195 122.820 -0.347 0.000 2.606 2008 A HA 1.005 5.326 4.320 0.001 0.000 0.293 2008 A C -0.440 176.836 177.584 -0.514 0.000 1.082 2008 A CA -0.244 51.554 52.037 -0.399 0.000 0.685 2008 A CB 1.985 20.881 19.000 -0.174 0.000 1.284 2008 A HN 0.930 nan 8.150 nan 0.000 0.408 2009 G N -0.303 108.186 108.800 -0.518 0.000 2.352 2009 G HA2 0.500 4.461 3.960 0.001 0.000 0.302 2009 G HA3 0.500 4.461 3.960 0.001 0.000 0.302 2009 G C -3.574 171.094 174.900 -0.386 0.000 1.370 2009 G CA -0.219 44.475 45.100 -0.675 0.000 0.918 2009 G HN 0.737 nan 8.290 nan 0.000 0.610 2010 P HA 0.226 nan 4.420 nan 0.000 0.275 2010 P C 1.354 178.638 177.300 -0.027 0.000 1.227 2010 P CA 0.010 63.074 63.100 -0.060 0.000 0.781 2010 P CB 1.612 33.316 31.700 0.007 0.000 0.906 2011 C N 3.279 122.603 119.300 0.041 0.000 2.376 2011 C HA -0.039 4.421 4.460 0.001 0.000 0.275 2011 C C 1.294 176.361 174.990 0.128 0.000 1.200 2011 C CA 1.790 60.858 59.018 0.083 0.000 1.756 2011 C CB -1.361 26.438 27.740 0.099 0.000 2.050 2011 C HN 0.706 nan 8.230 nan 0.000 0.460 2012 A N -0.713 122.217 122.820 0.184 0.000 2.380 2012 A HA 0.710 5.031 4.320 0.001 0.000 0.315 2012 A C -0.408 177.360 177.584 0.306 0.000 1.101 2012 A CA -0.600 51.598 52.037 0.268 0.000 0.771 2012 A CB 0.505 19.758 19.000 0.421 0.000 1.287 2012 A HN 0.431 nan 8.150 nan 0.000 0.436 2013 I N 2.290 123.083 120.570 0.372 0.000 2.270 2013 I HA 0.037 4.208 4.170 0.001 0.000 0.300 2013 I C 0.820 177.247 176.117 0.516 0.000 1.186 2013 I CA 0.238 61.782 61.300 0.407 0.000 1.431 2013 I CB -0.114 38.153 38.000 0.445 0.000 1.485 2013 I HN 0.840 nan 8.210 nan 0.000 0.650 2014 E N 3.162 123.580 120.200 0.365 0.000 2.268 2014 E HA -0.066 4.285 4.350 0.001 0.000 0.195 2014 E C 0.340 177.112 176.600 0.287 0.000 0.995 2014 E CA 0.477 57.044 56.400 0.278 0.000 0.836 2014 E CB 0.100 29.820 29.700 0.033 0.000 0.763 2014 E HN 0.703 nan 8.360 nan 0.000 0.491 2015 S N -0.668 115.181 115.700 0.249 0.000 2.678 2015 S HA 0.014 4.485 4.470 0.001 0.000 0.290 2015 S C 0.278 175.008 174.600 0.217 0.000 1.047 2015 S CA -0.739 57.584 58.200 0.206 0.000 0.851 2015 S CB 1.035 64.296 63.200 0.102 0.000 1.058 2015 S HN 0.229 nan 8.310 nan 0.000 0.451 2016 E N 0.914 121.230 120.200 0.194 0.000 2.265 2016 E HA -0.191 4.159 4.350 0.001 0.000 0.196 2016 E C 1.337 177.967 176.600 0.050 0.000 0.996 2016 E CA 1.211 57.640 56.400 0.049 0.000 0.832 2016 E CB -0.156 29.480 29.700 -0.106 0.000 0.756 2016 E HN 0.784 nan 8.360 nan 0.000 0.491 2017 E N 0.756 120.994 120.200 0.063 0.000 2.047 2017 E HA -0.203 4.147 4.350 0.001 0.000 0.191 2017 E C 2.145 178.770 176.600 0.041 0.000 0.987 2017 E CA 0.989 57.415 56.400 0.043 0.000 0.799 2017 E CB -0.062 29.662 29.700 0.039 0.000 0.752 2017 E HN 0.347 nan 8.360 nan 0.000 0.449 2018 L N 1.132 122.384 121.223 0.048 0.000 2.046 2018 L HA -0.173 4.168 4.340 0.001 0.000 0.208 2018 L C 2.150 179.051 176.870 0.053 0.000 1.077 2018 L CA 1.582 56.429 54.840 0.011 0.000 0.747 2018 L CB -0.437 41.624 42.059 0.003 0.000 0.896 2018 L HN 0.227 nan 8.230 nan 0.000 0.432 2019 L N -1.225 120.071 121.223 0.122 0.000 2.083 2019 L HA -0.242 4.099 4.340 0.001 0.000 0.209 2019 L C 2.568 179.479 176.870 0.068 0.000 1.083 2019 L CA 1.364 56.325 54.840 0.202 0.000 0.752 2019 L CB -0.723 41.441 42.059 0.174 0.000 0.899 2019 L HN 0.345 nan 8.230 nan 0.000 0.433 2020 L N -0.111 121.149 121.223 0.062 0.000 2.056 2020 L HA -0.212 4.128 4.340 0.001 0.000 0.207 2020 L C 2.724 179.646 176.870 0.086 0.000 1.078 2020 L CA 1.307 56.231 54.840 0.141 0.000 0.749 2020 L CB -0.515 41.618 42.059 0.123 0.000 0.901 2020 L HN 0.268 nan 8.230 nan 0.000 0.433 2021 K N 0.248 120.668 120.400 0.035 0.000 2.057 2021 K HA -0.143 4.178 4.320 0.001 0.000 0.207 2021 K C 1.983 178.548 176.600 -0.058 0.000 1.049 2021 K CA 1.341 57.622 56.287 -0.010 0.000 0.931 2021 K CB 0.074 32.562 32.500 -0.021 0.000 0.714 2021 K HN 0.071 nan 8.250 nan 0.000 0.440 2022 V N 0.557 120.461 119.914 -0.018 0.000 2.379 2022 V HA -0.124 3.996 4.120 0.001 0.000 0.245 2022 V C 2.397 178.483 176.094 -0.015 0.000 1.044 2022 V CA 2.013 64.321 62.300 0.013 0.000 1.036 2022 V CB -0.758 31.127 31.823 0.104 0.000 0.664 2022 V HN 0.594 nan 8.190 nan 0.000 0.453 2023 G N -0.511 108.231 108.800 -0.096 0.000 2.432 2023 G HA2 -0.291 3.669 3.960 0.001 0.000 0.219 2023 G HA3 -0.291 3.669 3.960 0.001 0.000 0.219 2023 G C 1.513 175.719 174.900 -1.156 0.000 1.135 2023 G CA 0.957 45.735 45.100 -0.537 0.000 0.767 2023 G HN 0.597 nan 8.290 nan 0.000 0.550 2024 E N 0.196 119.802 120.200 -0.991 0.000 2.072 2024 E HA -0.155 4.195 4.350 0.001 0.000 0.191 2024 E C 2.249 178.591 176.600 -0.430 0.000 0.985 2024 E CA 1.337 57.256 56.400 -0.801 0.000 0.801 2024 E CB -0.090 29.486 29.700 -0.207 0.000 0.750 2024 E HN 0.441 nan 8.360 nan 0.000 0.452 2025 E N 0.742 120.770 120.200 -0.287 0.000 2.072 2025 E HA -0.114 4.237 4.350 0.001 0.000 0.190 2025 E C 1.927 178.392 176.600 -0.225 0.000 0.982 2025 E CA 1.166 57.453 56.400 -0.188 0.000 0.803 2025 E CB -0.231 29.400 29.700 -0.114 0.000 0.755 2025 E HN 0.394 nan 8.360 nan 0.000 0.453 2026 I N 0.424 120.849 120.570 -0.242 0.000 2.361 2026 I HA -0.221 3.950 4.170 0.001 0.000 0.251 2026 I C 2.214 178.082 176.117 -0.415 0.000 1.133 2026 I CA 1.070 62.205 61.300 -0.274 0.000 1.413 2026 I CB -0.254 37.702 38.000 -0.072 0.000 1.073 2026 I HN 0.080 nan 8.210 nan 0.000 0.424 2027 K N 1.600 121.766 120.400 -0.390 0.000 2.057 2027 K HA -0.182 4.138 4.320 0.001 0.000 0.206 2027 K C 2.193 178.646 176.600 -0.245 0.000 1.050 2027 K CA 1.480 57.588 56.287 -0.297 0.000 0.935 2027 K CB -0.305 32.021 32.500 -0.289 0.000 0.715 2027 K HN 0.088 nan 8.250 nan 0.000 0.439 2028 R N -0.235 120.126 120.500 -0.233 0.000 2.073 2028 R HA -0.078 4.263 4.340 0.001 0.000 0.234 2028 R C 1.812 177.988 176.300 -0.206 0.000 1.134 2028 R CA 1.407 57.404 56.100 -0.173 0.000 0.952 2028 R CB -0.228 29.991 30.300 -0.135 0.000 0.850 2028 R HN 0.155 nan 8.270 nan 0.000 0.433 2029 L N 0.554 121.619 121.223 -0.263 0.000 2.141 2029 L HA -0.091 4.250 4.340 0.001 0.000 0.209 2029 L C 2.482 179.149 176.870 -0.337 0.000 1.094 2029 L CA 1.579 56.299 54.840 -0.199 0.000 0.763 2029 L CB -1.484 40.502 42.059 -0.123 0.000 0.908 2029 L HN 0.261 nan 8.230 nan 0.000 0.437 2030 S N -0.529 114.765 115.700 -0.677 0.000 2.383 2030 S HA -0.174 4.297 4.470 0.001 0.000 0.229 2030 S C 1.793 176.368 174.600 -0.041 0.000 1.030 2030 S CA 1.155 59.111 58.200 -0.406 0.000 1.002 2030 S CB 0.060 63.087 63.200 -0.289 0.000 0.829 2030 S HN 0.404 nan 8.310 nan 0.000 0.467 2031 E N 0.745 120.885 120.200 -0.101 0.000 2.216 2031 E HA -0.011 4.339 4.350 0.001 0.000 0.192 2031 E C 1.935 178.481 176.600 -0.090 0.000 0.988 2031 E CA 0.638 57.003 56.400 -0.059 0.000 0.834 2031 E CB -0.172 29.486 29.700 -0.069 0.000 0.772 2031 E HN 0.609 nan 8.360 nan 0.000 0.479 2032 K N -0.353 119.934 120.400 -0.189 0.000 2.186 2032 K HA 0.024 4.345 4.320 0.001 0.000 0.202 2032 K C 0.030 176.355 176.600 -0.458 0.000 1.052 2032 K CA 0.359 56.408 56.287 -0.396 0.000 0.965 2032 K CB 0.253 32.365 32.500 -0.647 0.000 0.746 2032 K HN -0.079 nan 8.250 nan 0.000 0.457 2033 F N 1.741 121.776 119.950 0.142 0.000 2.319 2033 F HA 0.303 4.830 4.527 0.001 0.000 0.356 2033 F C 0.646 176.585 175.800 0.232 0.000 1.100 2033 F CA -0.931 57.197 58.000 0.212 0.000 1.220 2033 F CB 1.329 40.531 39.000 0.336 0.000 1.506 2033 F HN -0.232 nan 8.300 nan 0.000 0.512 2034 K N 0.478 121.030 120.400 0.253 0.000 2.280 2034 K HA -0.156 4.164 4.320 0.001 0.000 0.202 2034 K C 1.546 178.264 176.600 0.197 0.000 1.047 2034 K CA 0.822 57.227 56.287 0.197 0.000 0.942 2034 K CB 0.132 32.701 32.500 0.115 0.000 0.739 2034 K HN 0.388 nan 8.250 nan 0.000 0.457 2035 E N 0.833 121.157 120.200 0.207 0.000 2.463 2035 E HA 0.022 4.373 4.350 0.001 0.000 0.191 2035 E C -0.743 175.957 176.600 0.166 0.000 1.083 2035 E CA -0.062 56.435 56.400 0.161 0.000 0.872 2035 E CB 0.192 29.972 29.700 0.133 0.000 0.966 2035 E HN -0.172 nan 8.360 nan 0.000 0.491 2036 V N 0.942 120.973 119.914 0.195 0.000 2.604 2036 V HA 0.300 4.420 4.120 0.001 0.000 0.305 2036 V C -0.388 175.736 176.094 0.051 0.000 1.043 2036 V CA -0.998 61.343 62.300 0.069 0.000 0.888 2036 V CB 1.911 33.668 31.823 -0.111 0.000 0.995 2036 V HN 0.069 nan 8.190 nan 0.000 0.429 2037 E N 3.545 123.716 120.200 -0.048 0.000 2.081 2037 E HA 0.432 4.783 4.350 0.001 0.000 0.276 2037 E C -1.440 175.103 176.600 -0.094 0.000 0.950 2037 E CA -0.466 55.947 56.400 0.023 0.000 0.776 2037 E CB 0.641 30.358 29.700 0.027 0.000 1.094 2037 E HN 0.491 nan 8.360 nan 0.000 0.402 2038 F N 2.938 122.915 119.950 0.044 0.000 2.384 2038 F HA 0.323 4.851 4.527 0.001 0.000 0.338 2038 F C 0.068 175.877 175.800 0.016 0.000 1.103 2038 F CA -0.550 57.462 58.000 0.021 0.000 1.157 2038 F CB 1.400 40.428 39.000 0.046 0.000 1.167 2038 F HN 0.129 nan 8.300 nan 0.000 0.529 2039 V N 4.197 124.195 119.914 0.139 0.000 2.525 2039 V HA 0.237 4.358 4.120 0.001 0.000 0.299 2039 V C -0.812 175.338 176.094 0.093 0.000 1.034 2039 V CA -1.034 61.320 62.300 0.091 0.000 0.863 2039 V CB 1.673 33.483 31.823 -0.020 0.000 0.999 2039 V HN 0.546 nan 8.190 nan 0.000 0.423 2040 F N 5.856 125.814 119.950 0.012 0.000 2.438 2040 F HA 0.542 5.069 4.527 0.001 0.000 0.356 2040 F C 0.238 176.021 175.800 -0.027 0.000 1.099 2040 F CA 0.235 58.227 58.000 -0.013 0.000 1.185 2040 F CB 0.520 39.524 39.000 0.006 0.000 1.115 2040 F HN 0.381 nan 8.300 nan 0.000 0.526 2041 K N 4.613 124.629 120.400 -0.640 0.000 2.316 2041 K HA 0.607 4.927 4.320 0.001 0.000 0.251 2041 K C -1.683 174.650 176.600 -0.446 0.000 0.934 2041 K CA -0.481 55.577 56.287 -0.381 0.000 0.802 2041 K CB 1.871 34.165 32.500 -0.343 0.000 1.171 2041 K HN 0.673 nan 8.250 nan 0.000 0.426 2042 S N 1.292 116.934 115.700 -0.098 0.000 2.583 2042 S HA 0.284 4.754 4.470 0.001 0.000 0.294 2042 S C -1.687 172.990 174.600 0.128 0.000 1.121 2042 S CA -0.533 57.678 58.200 0.020 0.000 0.910 2042 S CB 0.934 64.208 63.200 0.124 0.000 1.102 2042 S HN 0.513 nan 8.310 nan 0.000 0.451 2043 S N 3.634 119.401 115.700 0.112 0.000 2.513 2043 S HA 0.339 4.810 4.470 0.001 0.000 0.276 2043 S C 0.904 175.575 174.600 0.117 0.000 1.254 2043 S CA -0.542 57.688 58.200 0.051 0.000 1.053 2043 S CB 0.199 63.398 63.200 -0.001 0.000 0.958 2043 S HN 0.696 nan 8.310 nan 0.000 0.491 2044 F N 0.521 120.578 119.950 0.178 0.000 2.710 2044 F HA 0.418 4.946 4.527 0.001 0.000 0.298 2044 F C 0.407 176.281 175.800 0.123 0.000 1.137 2044 F CA -0.318 57.793 58.000 0.186 0.000 1.444 2044 F CB -0.028 39.075 39.000 0.171 0.000 1.111 2044 F HN 0.455 nan 8.300 nan 0.000 0.580 2045 D N 0.207 120.391 120.400 -0.359 0.000 2.937 2045 D HA 0.233 4.873 4.640 0.001 0.000 0.215 2045 D C -1.513 174.553 176.300 -0.391 0.000 1.274 2045 D CA -0.636 53.172 54.000 -0.320 0.000 0.869 2045 D CB 1.288 41.912 40.800 -0.294 0.000 1.675 2045 D HN -0.168 nan 8.370 nan 0.000 0.538 2046 K N 2.969 123.189 120.400 -0.300 0.000 2.244 2046 K HA 0.527 4.848 4.320 0.001 0.000 0.263 2046 K C 0.326 176.753 176.600 -0.288 0.000 1.103 2046 K CA -0.385 55.768 56.287 -0.224 0.000 0.966 2046 K CB 1.016 33.453 32.500 -0.105 0.000 1.429 2046 K HN 0.457 nan 8.250 nan 0.000 0.434 2047 A N 2.664 125.210 122.820 -0.456 0.000 2.238 2047 A HA -0.083 4.237 4.320 0.001 0.000 0.208 2047 A C 0.975 178.473 177.584 -0.143 0.000 1.177 2047 A CA 0.647 52.456 52.037 -0.378 0.000 0.804 2047 A CB -0.570 18.035 19.000 -0.658 0.000 0.823 2047 A HN 0.810 nan 8.150 nan 0.000 0.482 2048 N N -1.363 117.295 118.700 -0.071 0.000 2.433 2048 N HA 0.131 4.871 4.740 0.001 0.000 0.270 2048 N C -0.318 175.231 175.510 0.064 0.000 1.354 2048 N CA -0.749 52.333 53.050 0.055 0.000 0.889 2048 N CB 0.497 39.096 38.487 0.186 0.000 1.285 2048 N HN -0.069 nan 8.380 nan 0.000 0.503 2049 R N 0.577 121.081 120.500 0.007 0.000 2.756 2049 R HA 0.078 4.419 4.340 0.001 0.000 0.264 2049 R C 0.934 177.256 176.300 0.036 0.000 1.026 2049 R CA 0.071 56.185 56.100 0.023 0.000 1.121 2049 R CB 0.506 30.806 30.300 0.000 0.000 0.999 2049 R HN 0.211 nan 8.270 nan 0.000 0.449 2050 S N 0.343 116.073 115.700 0.049 0.000 2.368 2050 S HA -0.091 4.380 4.470 0.001 0.000 0.224 2050 S C 1.033 175.638 174.600 0.009 0.000 1.029 2050 S CA 0.991 59.215 58.200 0.040 0.000 0.988 2050 S CB 0.051 63.281 63.200 0.050 0.000 0.838 2050 S HN 0.634 nan 8.310 nan 0.000 0.462 2051 S N 0.085 115.790 115.700 0.008 0.000 2.525 2051 S HA 0.389 4.859 4.470 0.001 0.000 0.290 2051 S C 0.681 175.239 174.600 -0.069 0.000 1.152 2051 S CA -0.702 57.487 58.200 -0.018 0.000 1.072 2051 S CB 0.970 64.189 63.200 0.033 0.000 1.027 2051 S HN 0.167 nan 8.310 nan 0.000 0.500 2052 I N 4.035 124.498 120.570 -0.180 0.000 2.756 2052 I HA 0.008 4.178 4.170 0.001 0.000 0.262 2052 I C 1.202 177.162 176.117 -0.262 0.000 1.225 2052 I CA 1.725 62.872 61.300 -0.254 0.000 1.472 2052 I CB -0.333 37.450 38.000 -0.363 0.000 1.094 2052 I HN 0.837 nan 8.210 nan 0.000 0.454 2053 H N -1.340 117.733 119.070 0.004 0.000 2.539 2053 H HA 0.325 4.882 4.556 0.001 0.000 0.269 2053 H C 1.004 176.348 175.328 0.026 0.000 0.980 2053 H CA -0.160 55.895 56.048 0.011 0.000 1.152 2053 H CB 0.150 29.920 29.762 0.013 0.000 1.407 2053 H HN 0.156 nan 8.280 nan 0.000 0.564 2054 S N 0.473 116.233 115.700 0.101 0.000 2.652 2054 S HA 0.095 4.565 4.470 0.001 0.000 0.270 2054 S C -0.274 174.388 174.600 0.104 0.000 1.243 2054 S CA -0.787 57.478 58.200 0.108 0.000 0.999 2054 S CB 0.692 63.941 63.200 0.082 0.000 0.973 2054 S HN 0.252 nan 8.310 nan 0.000 0.544 2055 F N 1.920 121.869 119.950 -0.001 0.000 2.543 2055 F HA 0.175 4.703 4.527 0.001 0.000 0.375 2055 F C 1.287 177.065 175.800 -0.036 0.000 1.075 2055 F CA 0.300 58.285 58.000 -0.024 0.000 1.225 2055 F CB 0.369 39.359 39.000 -0.017 0.000 1.099 2055 F HN 0.553 nan 8.300 nan 0.000 0.561 2056 R N 3.210 123.186 120.500 -0.874 0.000 2.164 2056 R HA 0.462 4.803 4.340 0.001 0.000 0.198 2056 R C 0.619 176.323 176.300 -0.993 0.000 1.028 2056 R CA 0.212 55.894 56.100 -0.696 0.000 1.083 2056 R CB 0.270 30.334 30.300 -0.394 0.000 1.026 2056 R HN 0.903 nan 8.270 nan 0.000 0.514 2057 G N -0.652 107.291 108.800 -1.429 0.000 2.350 2057 G HA2 -0.076 3.884 3.960 0.001 0.000 0.282 2057 G HA3 -0.076 3.884 3.960 0.001 0.000 0.282 2057 G C -1.156 173.414 174.900 -0.550 0.000 1.314 2057 G CA -0.823 43.767 45.100 -0.850 0.000 0.915 2057 G HN 0.304 nan 8.290 nan 0.000 0.499 2058 H N 0.238 119.303 119.070 -0.008 0.000 2.528 2058 H HA 0.526 5.082 4.556 0.001 0.000 0.282 2058 H C 1.080 176.446 175.328 0.064 0.000 1.097 2058 H CA 1.010 57.028 56.048 -0.052 0.000 1.121 2058 H CB 0.687 30.232 29.762 -0.361 0.000 1.590 2058 H HN 1.791 nan 8.280 nan 0.000 0.553 2059 G N 0.163 109.090 108.800 0.210 0.000 2.662 2059 G HA2 -0.227 3.734 3.960 0.001 0.000 0.686 2059 G HA3 -0.227 3.734 3.960 0.001 0.000 0.686 2059 G C 0.213 175.287 174.900 0.290 0.000 1.271 2059 G CA -0.295 44.952 45.100 0.244 0.000 0.816 2059 G HN 0.194 nan 8.290 nan 0.000 0.608 2060 L N 0.489 121.807 121.223 0.157 0.000 2.017 2060 L HA 0.095 4.436 4.340 0.001 0.000 0.208 2060 L C 2.572 179.363 176.870 -0.131 0.000 1.073 2060 L CA 3.075 57.755 54.840 -0.267 0.000 0.745 2060 L CB -0.887 40.950 42.059 -0.369 0.000 0.894 2060 L HN 0.821 nan 8.230 nan 0.000 0.432 2061 E N -1.550 118.666 120.200 0.026 0.000 2.038 2061 E HA -0.313 4.038 4.350 0.001 0.000 0.195 2061 E C 2.149 178.803 176.600 0.089 0.000 1.000 2061 E CA 1.876 58.304 56.400 0.046 0.000 0.803 2061 E CB -0.458 29.290 29.700 0.080 0.000 0.750 2061 E HN 0.627 nan 8.360 nan 0.000 0.448 2062 Y N 0.974 121.308 120.300 0.056 0.000 2.224 2062 Y HA -0.175 4.375 4.550 0.001 0.000 0.289 2062 Y C 2.224 178.177 175.900 0.088 0.000 1.146 2062 Y CA 1.759 59.903 58.100 0.073 0.000 1.182 2062 Y CB -0.453 38.078 38.460 0.117 0.000 0.983 2062 Y HN 0.005 nan 8.280 nan 0.000 0.524 2063 G N -0.595 108.392 108.800 0.311 0.000 2.414 2063 G HA2 -0.234 3.727 3.960 0.001 0.000 0.215 2063 G HA3 -0.234 3.727 3.960 0.001 0.000 0.215 2063 G C 1.665 176.624 174.900 0.097 0.000 1.188 2063 G CA 1.245 46.513 45.100 0.280 0.000 0.783 2063 G HN 0.335 nan 8.290 nan 0.000 0.537 2064 V N 0.967 120.877 119.914 -0.006 0.000 2.490 2064 V HA -0.161 3.959 4.120 0.001 0.000 0.250 2064 V C 2.675 178.742 176.094 -0.045 0.000 1.061 2064 V CA 2.247 64.524 62.300 -0.038 0.000 1.064 2064 V CB -0.320 31.446 31.823 -0.096 0.000 0.670 2064 V HN 0.473 nan 8.190 nan 0.000 0.461 2065 K N 0.438 120.789 120.400 -0.083 0.000 2.025 2065 K HA -0.139 4.181 4.320 0.001 0.000 0.207 2065 K C 2.220 178.723 176.600 -0.162 0.000 1.049 2065 K CA 1.520 57.730 56.287 -0.128 0.000 0.933 2065 K CB -0.334 32.061 32.500 -0.175 0.000 0.714 2065 K HN 0.393 nan 8.250 nan 0.000 0.438 2066 A N 1.432 124.117 122.820 -0.226 0.000 1.933 2066 A HA -0.110 4.211 4.320 0.001 0.000 0.218 2066 A C 2.130 179.669 177.584 -0.075 0.000 1.175 2066 A CA 1.256 53.179 52.037 -0.189 0.000 0.628 2066 A CB -0.572 18.313 19.000 -0.191 0.000 0.814 2066 A HN 0.346 nan 8.150 nan 0.000 0.444 2067 L N -1.302 119.916 121.223 -0.008 0.000 2.093 2067 L HA -0.138 4.203 4.340 0.001 0.000 0.208 2067 L C 2.852 179.706 176.870 -0.027 0.000 1.085 2067 L CA 1.012 55.870 54.840 0.029 0.000 0.755 2067 L CB -0.434 41.691 42.059 0.112 0.000 0.904 2067 L HN 0.355 nan 8.230 nan 0.000 0.435 2068 R N 0.188 120.663 120.500 -0.041 0.000 2.081 2068 R HA -0.205 4.135 4.340 0.001 0.000 0.235 2068 R C 2.311 178.563 176.300 -0.080 0.000 1.131 2068 R CA 1.350 57.419 56.100 -0.051 0.000 0.960 2068 R CB -0.209 30.058 30.300 -0.055 0.000 0.856 2068 R HN 0.085 nan 8.270 nan 0.000 0.436 2069 K N 0.787 121.125 120.400 -0.104 0.000 2.063 2069 K HA -0.114 4.207 4.320 0.001 0.000 0.208 2069 K C 1.829 178.338 176.600 -0.153 0.000 1.048 2069 K CA 1.364 57.572 56.287 -0.132 0.000 0.928 2069 K CB -0.384 32.036 32.500 -0.134 0.000 0.713 2069 K HN -0.042 nan 8.250 nan 0.000 0.442 2070 V N 1.148 120.979 119.914 -0.139 0.000 2.307 2070 V HA -0.218 3.902 4.120 0.001 0.000 0.245 2070 V C 2.481 178.539 176.094 -0.058 0.000 1.045 2070 V CA 2.176 64.400 62.300 -0.127 0.000 1.024 2070 V CB -0.523 31.030 31.823 -0.449 0.000 0.651 2070 V HN 0.464 nan 8.190 nan 0.000 0.449 2071 K N 0.111 120.471 120.400 -0.067 0.000 2.097 2071 K HA -0.208 4.112 4.320 0.001 0.000 0.205 2071 K C 2.043 178.618 176.600 -0.041 0.000 1.050 2071 K CA 1.837 58.112 56.287 -0.020 0.000 0.938 2071 K CB -0.082 32.416 32.500 -0.004 0.000 0.718 2071 K HN 0.596 nan 8.250 nan 0.000 0.442 2072 E N 0.218 120.368 120.200 -0.084 0.000 2.072 2072 E HA -0.174 4.177 4.350 0.001 0.000 0.190 2072 E C 1.951 178.449 176.600 -0.170 0.000 0.982 2072 E CA 0.986 57.324 56.400 -0.103 0.000 0.803 2072 E CB 0.070 29.708 29.700 -0.103 0.000 0.755 2072 E HN 0.413 nan 8.360 nan 0.000 0.453 2073 E N -0.319 119.708 120.200 -0.289 0.000 2.158 2073 E HA -0.105 4.246 4.350 0.001 0.000 0.191 2073 E C 0.892 177.094 176.600 -0.663 0.000 0.982 2073 E CA 0.762 56.838 56.400 -0.541 0.000 0.823 2073 E CB 0.218 29.436 29.700 -0.804 0.000 0.766 2073 E HN 0.163 nan 8.360 nan 0.000 0.468 2074 F N -1.206 118.685 119.950 -0.099 0.000 2.728 2074 F HA 0.360 4.887 4.527 0.001 0.000 0.314 2074 F C 1.262 177.026 175.800 -0.060 0.000 1.094 2074 F CA 0.352 58.300 58.000 -0.087 0.000 1.217 2074 F CB 1.166 40.095 39.000 -0.119 0.000 1.056 2074 F HN 0.066 nan 8.300 nan 0.000 0.577 2075 G N 1.858 110.704 108.800 0.077 0.000 2.221 2075 G HA2 -0.297 3.663 3.960 0.001 0.000 0.265 2075 G HA3 -0.297 3.663 3.960 0.001 0.000 0.265 2075 G C -0.066 174.884 174.900 0.083 0.000 1.041 2075 G CA -0.013 45.122 45.100 0.058 0.000 0.807 2075 G HN 0.291 nan 8.290 nan 0.000 0.502 2076 L N -0.378 120.904 121.223 0.098 0.000 2.325 2076 L HA 0.450 4.791 4.340 0.001 0.000 0.279 2076 L C 1.143 178.076 176.870 0.106 0.000 1.054 2076 L CA -0.939 53.966 54.840 0.109 0.000 0.804 2076 L CB 1.119 43.247 42.059 0.114 0.000 1.200 2076 L HN 0.036 nan 8.230 nan 0.000 0.436 2077 K N 2.318 122.790 120.400 0.119 0.000 2.276 2077 K HA 0.366 4.687 4.320 0.001 0.000 0.259 2077 K C -0.630 176.051 176.600 0.134 0.000 1.001 2077 K CA -0.292 56.057 56.287 0.104 0.000 0.927 2077 K CB 0.789 33.343 32.500 0.090 0.000 0.969 2077 K HN 0.296 nan 8.250 nan 0.000 0.490 2078 I N 0.661 121.300 120.570 0.115 0.000 2.785 2078 I HA 0.299 4.470 4.170 0.001 0.000 0.302 2078 I C 0.036 176.217 176.117 0.106 0.000 1.069 2078 I CA -0.407 60.983 61.300 0.149 0.000 1.045 2078 I CB 1.897 39.979 38.000 0.137 0.000 1.236 2078 I HN 0.572 nan 8.210 nan 0.000 0.429 2079 T N 2.580 117.201 114.554 0.113 0.000 3.041 2079 T HA 0.600 4.950 4.350 0.001 0.000 0.321 2079 T C -1.083 173.672 174.700 0.091 0.000 1.184 2079 T CA -0.205 61.938 62.100 0.071 0.000 1.050 2079 T CB 1.543 70.423 68.868 0.020 0.000 1.159 2079 T HN 0.860 nan 8.240 nan 0.000 0.469 2080 T N 2.402 117.012 114.554 0.093 0.000 2.821 2080 T HA 0.567 4.918 4.350 0.001 0.000 0.306 2080 T C -1.991 172.733 174.700 0.041 0.000 1.313 2080 T CA -0.699 61.467 62.100 0.109 0.000 1.012 2080 T CB 1.480 70.493 68.868 0.241 0.000 1.298 2080 T HN 0.796 nan 8.240 nan 0.000 0.502 2081 D N 2.392 122.755 120.400 -0.061 0.000 2.229 2081 D HA 0.542 5.182 4.640 0.001 0.000 0.249 2081 D C 0.273 176.315 176.300 -0.430 0.000 1.027 2081 D CA -0.651 53.219 54.000 -0.218 0.000 0.923 2081 D CB 1.034 41.684 40.800 -0.250 0.000 1.174 2081 D HN 0.773 nan 8.370 nan 0.000 0.443 2082 I N -2.628 117.661 120.570 -0.470 0.000 2.750 2082 I HA 0.500 4.671 4.170 0.001 0.000 0.308 2082 I C -0.361 175.268 176.117 -0.814 0.000 1.016 2082 I CA -0.956 60.042 61.300 -0.504 0.000 1.098 2082 I CB 1.928 39.809 38.000 -0.198 0.000 1.279 2082 I HN 0.318 nan 8.210 nan 0.000 0.454 2083 H N 0.194 119.210 119.070 -0.091 0.000 3.255 2083 H HA 0.445 5.002 4.556 0.001 0.000 0.256 2083 H C -0.547 174.761 175.328 -0.035 0.000 1.049 2083 H CA -0.218 55.793 56.048 -0.062 0.000 1.202 2083 H CB 0.787 30.515 29.762 -0.056 0.000 1.497 2083 H HN 0.591 nan 8.280 nan 0.000 0.503 2084 E N -0.283 119.896 120.200 -0.034 0.000 2.356 2084 E HA 0.274 4.625 4.350 0.001 0.000 0.275 2084 E C 0.064 176.580 176.600 -0.141 0.000 0.904 2084 E CA -0.303 56.093 56.400 -0.006 0.000 0.757 2084 E CB 2.442 32.251 29.700 0.182 0.000 1.232 2084 E HN -0.018 nan 8.360 nan 0.000 0.442 2085 S N 1.519 117.229 115.700 0.017 0.000 2.380 2085 S HA -0.187 4.284 4.470 0.001 0.000 0.229 2085 S C 1.579 176.199 174.600 0.034 0.000 1.043 2085 S CA 1.828 60.047 58.200 0.031 0.000 1.038 2085 S CB -0.279 62.981 63.200 0.100 0.000 0.872 2085 S HN 0.735 nan 8.310 nan 0.000 0.456 2086 W N 1.954 123.287 121.300 0.055 0.000 2.421 2086 W HA -0.085 4.575 4.660 0.001 0.000 0.270 2086 W C 1.226 177.774 176.519 0.047 0.000 1.233 2086 W CA 0.805 58.177 57.345 0.046 0.000 1.226 2086 W CB -0.875 28.611 29.460 0.043 0.000 1.121 2086 W HN 0.411 nan 8.180 nan 0.000 0.579 2087 Q N 0.930 120.267 119.800 -0.772 0.000 2.311 2087 Q HA 0.004 4.345 4.340 0.001 0.000 0.203 2087 Q C 2.685 178.525 176.000 -0.267 0.000 0.954 2087 Q CA 1.278 56.643 55.803 -0.729 0.000 0.885 2087 Q CB -0.335 27.915 28.738 -0.813 0.000 0.963 2087 Q HN 0.316 nan 8.270 nan 0.000 0.471 2088 A N 1.858 124.585 122.820 -0.155 0.000 1.873 2088 A HA -0.304 4.017 4.320 0.001 0.000 0.218 2088 A C 1.975 179.540 177.584 -0.032 0.000 1.193 2088 A CA 1.826 53.822 52.037 -0.068 0.000 0.629 2088 A CB -0.577 18.404 19.000 -0.032 0.000 0.826 2088 A HN 0.443 nan 8.150 nan 0.000 0.447 2089 E N -0.378 119.820 120.200 -0.003 0.000 2.023 2089 E HA -0.170 4.180 4.350 0.001 0.000 0.196 2089 E C -0.475 176.129 176.600 0.007 0.000 1.003 2089 E CA 1.624 58.035 56.400 0.018 0.000 0.809 2089 E CB -0.619 29.111 29.700 0.051 0.000 0.755 2089 E HN 0.504 nan 8.360 nan 0.000 0.449 2090 P HA -0.120 nan 4.420 nan 0.000 0.218 2090 P C 1.577 178.846 177.300 -0.053 0.000 1.149 2090 P CA 1.029 64.121 63.100 -0.012 0.000 0.817 2090 P CB 0.029 31.734 31.700 0.008 0.000 0.785 2091 V N 0.908 120.774 119.914 -0.080 0.000 2.453 2091 V HA -0.148 3.973 4.120 0.001 0.000 0.247 2091 V C 2.778 178.864 176.094 -0.012 0.000 1.048 2091 V CA 1.898 64.160 62.300 -0.063 0.000 1.049 2091 V CB -1.607 30.194 31.823 -0.037 0.000 0.672 2091 V HN 0.096 nan 8.190 nan 0.000 0.457 2092 A N -0.591 122.225 122.820 -0.007 0.000 2.178 2092 A HA -0.164 4.156 4.320 0.001 0.000 0.218 2092 A C 2.083 179.673 177.584 0.010 0.000 1.157 2092 A CA 1.169 53.211 52.037 0.009 0.000 0.689 2092 A CB -0.335 18.671 19.000 0.010 0.000 0.787 2092 A HN 0.525 nan 8.150 nan 0.000 0.465 2093 E N -0.433 119.769 120.200 0.002 0.000 2.204 2093 E HA -0.094 4.257 4.350 0.001 0.000 0.195 2093 E C 1.630 178.234 176.600 0.006 0.000 0.990 2093 E CA 1.527 57.928 56.400 0.003 0.000 0.821 2093 E CB -0.037 29.660 29.700 -0.004 0.000 0.750 2093 E HN 0.509 nan 8.360 nan 0.000 0.477 2094 V N -0.350 119.570 119.914 0.010 0.000 3.250 2094 V HA 0.237 4.358 4.120 0.001 0.000 0.240 2094 V C 0.836 176.953 176.094 0.040 0.000 1.275 2094 V CA 0.390 62.702 62.300 0.020 0.000 1.206 2094 V CB 0.244 32.077 31.823 0.017 0.000 0.976 2094 V HN 0.055 nan 8.190 nan 0.000 0.467 2095 A N 0.953 123.800 122.820 0.045 0.000 2.451 2095 A HA 0.174 4.495 4.320 0.001 0.000 0.266 2095 A C 0.959 178.573 177.584 0.050 0.000 1.119 2095 A CA 0.067 52.139 52.037 0.058 0.000 0.786 2095 A CB -0.151 18.887 19.000 0.062 0.000 1.061 2095 A HN 0.415 nan 8.150 nan 0.000 0.503 2096 D N 1.684 122.117 120.400 0.055 0.000 2.194 2096 D HA 0.036 4.676 4.640 0.001 0.000 0.204 2096 D C 0.188 176.520 176.300 0.053 0.000 0.964 2096 D CA 1.422 55.454 54.000 0.053 0.000 0.846 2096 D CB 0.240 41.074 40.800 0.057 0.000 0.962 2096 D HN 0.588 nan 8.370 nan 0.000 0.490 2097 I N 1.449 122.045 120.570 0.042 0.000 2.499 2097 I HA 0.271 4.441 4.170 0.001 0.000 0.288 2097 I C -0.433 175.702 176.117 0.030 0.000 1.048 2097 I CA -0.608 60.712 61.300 0.034 0.000 1.062 2097 I CB 2.708 40.692 38.000 -0.027 0.000 1.238 2097 I HN -0.304 nan 8.210 nan 0.000 0.426 2098 I N 5.666 126.255 120.570 0.032 0.000 2.342 2098 I HA 0.235 4.405 4.170 0.001 0.000 0.291 2098 I C 0.118 176.233 176.117 -0.004 0.000 1.010 2098 I CA -0.272 61.037 61.300 0.015 0.000 1.308 2098 I CB 1.305 39.311 38.000 0.009 0.000 1.400 2098 I HN 0.588 nan 8.210 nan 0.000 0.488 2099 Q N 6.227 126.011 119.800 -0.028 0.000 2.241 2099 Q HA 0.432 4.772 4.340 0.001 0.000 0.254 2099 Q C -1.113 174.823 176.000 -0.106 0.000 0.917 2099 Q CA -0.716 55.051 55.803 -0.059 0.000 0.919 2099 Q CB 1.467 30.174 28.738 -0.051 0.000 1.237 2099 Q HN 0.474 nan 8.270 nan 0.000 0.434 2100 I N 6.284 126.792 120.570 -0.103 0.000 2.339 2100 I HA 0.346 4.517 4.170 0.001 0.000 0.290 2100 I C -2.196 173.836 176.117 -0.141 0.000 0.994 2100 I CA -2.635 58.599 61.300 -0.111 0.000 1.191 2100 I CB 0.979 38.942 38.000 -0.061 0.000 1.343 2100 I HN 0.502 nan 8.210 nan 0.000 0.458 2101 P HA 0.048 nan 4.420 nan 0.000 0.268 2101 P C 0.638 177.840 177.300 -0.163 0.000 1.208 2101 P CA 0.130 63.123 63.100 -0.178 0.000 0.777 2101 P CB 0.892 32.532 31.700 -0.101 0.000 0.875 2102 A N 2.461 125.110 122.820 -0.284 0.000 1.883 2102 A HA -0.219 4.102 4.320 0.001 0.000 0.217 2102 A C 1.693 179.278 177.584 0.002 0.000 1.186 2102 A CA 1.762 53.645 52.037 -0.256 0.000 0.624 2102 A CB -1.629 17.127 19.000 -0.405 0.000 0.822 2102 A HN 0.506 nan 8.150 nan 0.000 0.444 2103 F N -0.194 119.782 119.950 0.044 0.000 2.333 2103 F HA 0.002 4.529 4.527 0.001 0.000 0.300 2103 F C 1.609 177.529 175.800 0.199 0.000 1.083 2103 F CA 0.420 58.544 58.000 0.207 0.000 1.395 2103 F CB -0.603 38.470 39.000 0.122 0.000 1.056 2103 F HN 0.108 nan 8.300 nan 0.000 0.529 2104 L N -0.425 120.958 121.223 0.268 0.000 2.700 2104 L HA 0.095 4.435 4.340 0.001 0.000 0.234 2104 L C 1.919 178.863 176.870 0.122 0.000 1.156 2104 L CA -0.048 54.894 54.840 0.170 0.000 0.946 2104 L CB -0.776 41.343 42.059 0.101 0.000 1.216 2104 L HN 0.231 nan 8.230 nan 0.000 0.493 2105 C N -1.411 117.969 119.300 0.133 0.000 2.430 2105 C HA -0.009 4.451 4.460 0.001 0.000 0.288 2105 C C 2.207 177.254 174.990 0.095 0.000 1.448 2105 C CA 0.002 59.059 59.018 0.066 0.000 1.784 2105 C CB -0.911 26.821 27.740 -0.014 0.000 1.776 2105 C HN 0.482 nan 8.230 nan 0.000 0.547 2106 R N -0.081 120.512 120.500 0.155 0.000 2.397 2106 R HA 0.141 4.482 4.340 0.001 0.000 0.241 2106 R C 0.140 176.478 176.300 0.063 0.000 0.914 2106 R CA -0.013 56.153 56.100 0.110 0.000 1.071 2106 R CB -0.021 30.364 30.300 0.140 0.000 1.116 2106 R HN 0.560 nan 8.270 nan 0.000 0.524 2107 Q N 1.333 121.171 119.800 0.065 0.000 2.431 2107 Q HA 0.060 4.400 4.340 0.001 0.000 0.234 2107 Q C 0.789 176.811 176.000 0.036 0.000 1.203 2107 Q CA 0.311 56.141 55.803 0.046 0.000 0.902 2107 Q CB 0.865 29.635 28.738 0.053 0.000 1.455 2107 Q HN 0.073 nan 8.270 nan 0.000 0.515 2108 T N 1.412 115.982 114.554 0.027 0.000 2.624 2108 T HA -0.195 4.156 4.350 0.001 0.000 0.268 2108 T C 0.904 175.628 174.700 0.040 0.000 1.041 2108 T CA 1.819 63.934 62.100 0.025 0.000 1.159 2108 T CB 0.064 68.936 68.868 0.008 0.000 0.863 2108 T HN 0.482 nan 8.240 nan 0.000 0.434 2109 D N 0.554 120.979 120.400 0.042 0.000 2.218 2109 D HA -0.008 4.632 4.640 0.001 0.000 0.204 2109 D C 1.993 178.321 176.300 0.047 0.000 0.976 2109 D CA 0.420 54.451 54.000 0.052 0.000 0.853 2109 D CB -0.343 40.491 40.800 0.056 0.000 0.939 2109 D HN 0.198 nan 8.370 nan 0.000 0.481 2110 L N 0.456 121.701 121.223 0.037 0.000 2.072 2110 L HA -0.047 4.293 4.340 0.001 0.000 0.205 2110 L C 2.180 179.059 176.870 0.015 0.000 1.079 2110 L CA 1.206 56.057 54.840 0.018 0.000 0.752 2110 L CB -0.448 41.617 42.059 0.011 0.000 0.906 2110 L HN -0.033 nan 8.230 nan 0.000 0.436 2111 L N -1.337 119.902 121.223 0.026 0.000 2.046 2111 L HA -0.241 4.100 4.340 0.001 0.000 0.208 2111 L C 2.468 179.365 176.870 0.044 0.000 1.077 2111 L CA 1.284 56.142 54.840 0.030 0.000 0.747 2111 L CB -0.618 41.462 42.059 0.035 0.000 0.896 2111 L HN 0.269 nan 8.230 nan 0.000 0.432 2112 L N -0.524 120.735 121.223 0.060 0.000 2.056 2112 L HA -0.175 4.166 4.340 0.001 0.000 0.207 2112 L C 2.907 179.808 176.870 0.052 0.000 1.078 2112 L CA 1.067 55.952 54.840 0.076 0.000 0.749 2112 L CB -0.765 41.356 42.059 0.104 0.000 0.901 2112 L HN 0.242 nan 8.230 nan 0.000 0.433 2113 A N 0.196 123.042 122.820 0.043 0.000 1.908 2113 A HA -0.208 4.112 4.320 0.001 0.000 0.218 2113 A C 2.536 180.131 177.584 0.019 0.000 1.181 2113 A CA 1.902 53.959 52.037 0.032 0.000 0.627 2113 A CB -0.724 18.292 19.000 0.026 0.000 0.818 2113 A HN 0.409 nan 8.150 nan 0.000 0.445 2114 A N -0.245 122.583 122.820 0.013 0.000 1.902 2114 A HA 0.179 4.500 4.320 0.001 0.000 0.217 2114 A C 2.511 180.107 177.584 0.020 0.000 1.181 2114 A CA 2.078 54.121 52.037 0.009 0.000 0.623 2114 A CB -1.033 17.969 19.000 0.004 0.000 0.818 2114 A HN 1.097 nan 8.150 nan 0.000 0.443 2115 A N -0.287 122.549 122.820 0.027 0.000 1.933 2115 A HA -0.164 4.157 4.320 0.001 0.000 0.218 2115 A C 2.111 179.704 177.584 0.016 0.000 1.175 2115 A CA 1.934 53.987 52.037 0.027 0.000 0.628 2115 A CB -0.442 18.579 19.000 0.035 0.000 0.814 2115 A HN 0.554 nan 8.150 nan 0.000 0.444 2116 K N -0.008 120.401 120.400 0.016 0.000 2.209 2116 K HA -0.145 4.176 4.320 0.001 0.000 0.204 2116 K C 1.930 178.536 176.600 0.010 0.000 1.048 2116 K CA 1.780 58.072 56.287 0.008 0.000 0.940 2116 K CB -0.315 32.194 32.500 0.015 0.000 0.729 2116 K HN 0.634 nan 8.250 nan 0.000 0.451 2117 T N -3.086 111.477 114.554 0.014 0.000 3.007 2117 T HA 0.024 4.375 4.350 0.001 0.000 0.270 2117 T C 1.466 176.175 174.700 0.016 0.000 1.107 2117 T CA 1.114 63.223 62.100 0.015 0.000 1.118 2117 T CB -0.277 68.600 68.868 0.015 0.000 0.889 2117 T HN 0.438 nan 8.240 nan 0.000 0.506 2118 G N 1.229 110.038 108.800 0.015 0.000 2.199 2118 G HA2 -0.241 3.719 3.960 0.001 0.000 0.254 2118 G HA3 -0.241 3.719 3.960 0.001 0.000 0.254 2118 G C 0.357 175.273 174.900 0.026 0.000 0.982 2118 G CA 0.003 45.113 45.100 0.016 0.000 0.632 2118 G HN 0.638 nan 8.290 nan 0.000 0.529 2119 R N 0.727 121.245 120.500 0.031 0.000 2.583 2119 R HA 0.710 5.051 4.340 0.001 0.000 0.268 2119 R C 0.898 177.233 176.300 0.059 0.000 1.101 2119 R CA 0.223 56.349 56.100 0.044 0.000 1.180 2119 R CB 0.070 30.395 30.300 0.040 0.000 1.128 2119 R HN 0.693 nan 8.270 nan 0.000 0.568 2120 A N 0.763 123.634 122.820 0.086 0.000 2.386 2120 A HA 0.406 4.726 4.320 0.001 0.000 0.248 2120 A C -0.313 177.348 177.584 0.128 0.000 1.082 2120 A CA -0.353 51.765 52.037 0.135 0.000 0.789 2120 A CB 0.562 19.697 19.000 0.226 0.000 1.025 2120 A HN 0.329 nan 8.150 nan 0.000 0.490 2121 V N 2.446 122.454 119.914 0.156 0.000 2.531 2121 V HA 0.355 4.476 4.120 0.001 0.000 0.301 2121 V C -0.073 176.131 176.094 0.184 0.000 1.034 2121 V CA -0.745 61.627 62.300 0.120 0.000 0.865 2121 V CB 1.672 33.538 31.823 0.072 0.000 0.995 2121 V HN 0.974 nan 8.190 nan 0.000 0.424 2122 N N 3.403 122.169 118.700 0.110 0.000 2.479 2122 N HA 0.560 5.301 4.740 0.001 0.000 0.261 2122 N C -1.348 174.168 175.510 0.009 0.000 0.979 2122 N CA -0.392 52.714 53.050 0.093 0.000 0.930 2122 N CB 1.774 40.245 38.487 -0.026 0.000 1.172 2122 N HN 0.450 nan 8.380 nan 0.000 0.499 2123 V N 3.821 123.743 119.914 0.013 0.000 2.394 2123 V HA 0.273 4.394 4.120 0.001 0.000 0.282 2123 V C 0.180 176.214 176.094 -0.100 0.000 1.031 2123 V CA -0.770 61.505 62.300 -0.042 0.000 0.881 2123 V CB 1.219 33.032 31.823 -0.016 0.000 0.982 2123 V HN 0.576 nan 8.190 nan 0.000 0.451 2124 K N 3.798 124.097 120.400 -0.168 0.000 2.339 2124 K HA 0.194 4.515 4.320 0.001 0.000 0.286 2124 K C 0.058 176.525 176.600 -0.222 0.000 1.050 2124 K CA -0.248 55.891 56.287 -0.247 0.000 0.956 2124 K CB 0.793 33.090 32.500 -0.338 0.000 0.990 2124 K HN 0.625 nan 8.250 nan 0.000 0.475 2125 K N 1.768 122.034 120.400 -0.223 0.000 2.383 2125 K HA 0.084 4.405 4.320 0.001 0.000 0.286 2125 K C 0.319 176.708 176.600 -0.351 0.000 1.051 2125 K CA -0.113 56.030 56.287 -0.240 0.000 0.974 2125 K CB 0.377 32.758 32.500 -0.200 0.000 0.968 2125 K HN 0.698 nan 8.250 nan 0.000 0.475 2126 G N 3.202 111.697 108.800 -0.507 0.000 2.474 2126 G HA2 -0.103 3.858 3.960 0.001 0.000 0.233 2126 G HA3 -0.103 3.858 3.960 0.001 0.000 0.233 2126 G C 0.161 174.603 174.900 -0.763 0.000 1.278 2126 G CA -0.396 44.170 45.100 -0.889 0.000 0.861 2126 G HN 0.810 nan 8.290 nan 0.000 0.567 2127 Q N 0.594 120.115 119.800 -0.465 0.000 2.437 2127 Q HA -0.014 4.327 4.340 0.001 0.000 0.210 2127 Q C 1.609 177.547 176.000 -0.104 0.000 0.972 2127 Q CA 1.200 56.900 55.803 -0.172 0.000 0.903 2127 Q CB -0.146 28.627 28.738 0.058 0.000 0.967 2127 Q HN 0.815 nan 8.270 nan 0.000 0.486 2128 F N -2.958 117.006 119.950 0.022 0.000 2.721 2128 F HA 0.348 4.876 4.527 0.001 0.000 0.301 2128 F C 0.225 176.005 175.800 -0.034 0.000 1.096 2128 F CA -0.829 57.171 58.000 0.000 0.000 1.308 2128 F CB 0.036 39.041 39.000 0.008 0.000 1.086 2128 F HN -0.131 nan 8.300 nan 0.000 0.587 2129 L N 1.869 122.928 121.223 -0.274 0.000 2.334 2129 L HA 0.707 5.048 4.340 0.001 0.000 0.277 2129 L C 0.268 176.993 176.870 -0.242 0.000 1.075 2129 L CA -1.207 53.522 54.840 -0.185 0.000 0.804 2129 L CB 1.080 42.967 42.059 -0.287 0.000 1.174 2129 L HN 0.225 nan 8.230 nan 0.000 0.438 2130 A N 5.455 128.090 122.820 -0.308 0.000 2.302 2130 A HA 0.580 4.901 4.320 0.001 0.000 0.285 2130 A C -1.820 175.347 177.584 -0.694 0.000 1.105 2130 A CA -1.171 50.475 52.037 -0.653 0.000 0.816 2130 A CB 0.047 18.485 19.000 -0.938 0.000 1.067 2130 A HN 0.731 nan 8.150 nan 0.000 0.489 2131 P HA -0.191 nan 4.420 nan 0.000 0.216 2131 P C 0.931 178.231 177.300 -0.000 0.000 1.153 2131 P CA 2.201 65.106 63.100 -0.324 0.000 0.858 2131 P CB -0.113 31.434 31.700 -0.256 0.000 0.789 2132 W N -0.634 120.805 121.300 0.231 0.000 2.595 2132 W HA 0.031 4.692 4.660 0.001 0.000 0.257 2132 W C 0.937 177.506 176.519 0.084 0.000 1.267 2132 W CA 0.505 58.033 57.345 0.305 0.000 1.300 2132 W CB -1.747 27.842 29.460 0.215 0.000 1.120 2132 W HN -0.115 nan 8.180 nan 0.000 0.618 2133 D N 0.949 121.351 120.400 0.003 0.000 2.348 2133 D HA -0.126 4.514 4.640 0.001 0.000 0.216 2133 D C 2.103 178.363 176.300 -0.068 0.000 0.970 2133 D CA 1.957 55.953 54.000 -0.006 0.000 0.889 2133 D CB -0.528 40.248 40.800 -0.039 0.000 0.912 2133 D HN 0.391 nan 8.370 nan 0.000 0.524 2134 T N -1.769 112.768 114.554 -0.028 0.000 3.085 2134 T HA -0.052 4.298 4.350 0.001 0.000 0.263 2134 T C 1.719 176.227 174.700 -0.321 0.000 1.127 2134 T CA 0.471 62.553 62.100 -0.030 0.000 1.103 2134 T CB 0.151 69.136 68.868 0.196 0.000 0.921 2134 T HN 0.064 nan 8.240 nan 0.000 0.510 2135 K N 1.596 121.510 120.400 -0.810 0.000 2.063 2135 K HA -0.142 4.179 4.320 0.001 0.000 0.208 2135 K C 2.083 178.324 176.600 -0.599 0.000 1.048 2135 K CA 1.725 57.166 56.287 -1.410 0.000 0.928 2135 K CB -0.365 31.201 32.500 -1.558 0.000 0.713 2135 K HN 0.521 nan 8.250 nan 0.000 0.442 2136 N N -0.223 118.264 118.700 -0.355 0.000 2.244 2136 N HA -0.135 4.606 4.740 0.001 0.000 0.183 2136 N C 1.685 177.113 175.510 -0.137 0.000 1.016 2136 N CA 0.916 53.849 53.050 -0.196 0.000 0.866 2136 N CB 0.124 38.536 38.487 -0.124 0.000 0.980 2136 N HN -0.025 nan 8.380 nan 0.000 0.430 2137 V N 0.711 120.549 119.914 -0.126 0.000 2.261 2137 V HA -0.189 3.931 4.120 0.001 0.000 0.246 2137 V C 2.260 178.328 176.094 -0.044 0.000 1.047 2137 V CA 1.333 63.597 62.300 -0.060 0.000 1.015 2137 V CB -0.473 31.329 31.823 -0.035 0.000 0.642 2137 V HN 0.131 nan 8.190 nan 0.000 0.446 2138 V N 0.122 119.995 119.914 -0.070 0.000 2.332 2138 V HA -0.320 3.801 4.120 0.001 0.000 0.248 2138 V C 2.484 178.570 176.094 -0.013 0.000 1.055 2138 V CA 2.396 64.686 62.300 -0.018 0.000 1.038 2138 V CB -0.644 31.183 31.823 0.006 0.000 0.651 2138 V HN 0.712 nan 8.190 nan 0.000 0.450 2139 E N 0.256 120.421 120.200 -0.058 0.000 2.085 2139 E HA -0.271 4.080 4.350 0.001 0.000 0.194 2139 E C 2.262 178.885 176.600 0.039 0.000 0.994 2139 E CA 1.460 57.849 56.400 -0.018 0.000 0.801 2139 E CB -0.061 29.600 29.700 -0.066 0.000 0.743 2139 E HN 0.589 nan 8.360 nan 0.000 0.453 2140 K N 0.196 120.604 120.400 0.014 0.000 2.026 2140 K HA -0.133 4.187 4.320 0.001 0.000 0.208 2140 K C 2.317 178.995 176.600 0.130 0.000 1.048 2140 K CA 1.346 57.666 56.287 0.056 0.000 0.929 2140 K CB -0.145 32.365 32.500 0.017 0.000 0.713 2140 K HN 0.223 nan 8.250 nan 0.000 0.439 2141 L N 1.079 122.350 121.223 0.080 0.000 2.046 2141 L HA -0.198 4.143 4.340 0.001 0.000 0.208 2141 L C 2.312 179.229 176.870 0.079 0.000 1.077 2141 L CA 1.346 56.231 54.840 0.075 0.000 0.747 2141 L CB -0.314 41.775 42.059 0.050 0.000 0.896 2141 L HN 0.150 nan 8.230 nan 0.000 0.432 2142 K N -0.532 119.917 120.400 0.082 0.000 2.097 2142 K HA -0.192 4.128 4.320 0.001 0.000 0.205 2142 K C 2.076 178.728 176.600 0.088 0.000 1.050 2142 K CA 1.389 57.718 56.287 0.069 0.000 0.938 2142 K CB -0.251 32.287 32.500 0.064 0.000 0.718 2142 K HN 0.119 nan 8.250 nan 0.000 0.442 2143 F N 1.310 121.257 119.950 -0.004 0.000 2.216 2143 F HA -0.080 4.448 4.527 0.001 0.000 0.300 2143 F C 1.828 177.629 175.800 0.002 0.000 1.085 2143 F CA 1.510 59.509 58.000 -0.002 0.000 1.326 2143 F CB -0.282 38.715 39.000 -0.006 0.000 1.027 2143 F HN -0.039 nan 8.300 nan 0.000 0.497 2144 G N -1.083 107.764 108.800 0.079 0.000 2.920 2144 G HA2 0.278 4.238 3.960 0.001 0.000 0.208 2144 G HA3 0.278 4.238 3.960 0.001 0.000 0.208 2144 G C 1.338 176.205 174.900 -0.056 0.000 1.159 2144 G CA 0.361 45.459 45.100 -0.004 0.000 0.784 2144 G HN 0.957 nan 8.290 nan 0.000 0.535 2145 G N -1.403 107.361 108.800 -0.061 0.000 2.176 2145 G HA2 0.119 4.080 3.960 0.001 0.000 0.232 2145 G HA3 0.119 4.080 3.960 0.001 0.000 0.232 2145 G C 0.551 175.443 174.900 -0.013 0.000 0.986 2145 G CA 0.161 45.231 45.100 -0.050 0.000 0.643 2145 G HN 1.309 nan 8.290 nan 0.000 0.522 2146 A N -0.021 122.803 122.820 0.006 0.000 2.462 2146 A HA 0.678 4.999 4.320 0.001 0.000 0.243 2146 A C 1.162 178.752 177.584 0.011 0.000 1.076 2146 A CA 1.185 53.232 52.037 0.017 0.000 0.773 2146 A CB 0.373 19.391 19.000 0.030 0.000 1.010 2146 A HN 0.401 nan 8.150 nan 0.000 0.493 2147 K N 0.680 121.085 120.400 0.008 0.000 2.424 2147 K HA 0.112 4.433 4.320 0.001 0.000 0.198 2147 K C 0.198 176.785 176.600 -0.020 0.000 1.190 2147 K CA 0.217 56.503 56.287 -0.001 0.000 0.935 2147 K CB 0.642 33.143 32.500 0.001 0.000 1.087 2147 K HN 0.798 nan 8.250 nan 0.000 0.524 2148 E N 2.114 122.306 120.200 -0.013 0.000 2.063 2148 E HA 0.298 4.648 4.350 0.001 0.000 0.265 2148 E C -1.228 175.328 176.600 -0.072 0.000 0.919 2148 E CA -0.221 56.143 56.400 -0.061 0.000 0.756 2148 E CB 0.532 30.248 29.700 0.028 0.000 1.120 2148 E HN 0.094 nan 8.360 nan 0.000 0.414 2149 I N 4.476 124.932 120.570 -0.191 0.000 2.465 2149 I HA 0.343 4.514 4.170 0.001 0.000 0.291 2149 I C -1.048 174.914 176.117 -0.258 0.000 1.014 2149 I CA -0.878 60.358 61.300 -0.106 0.000 1.093 2149 I CB 1.130 39.117 38.000 -0.021 0.000 1.267 2149 I HN 0.468 nan 8.210 nan 0.000 0.431 2150 Y N 5.530 125.839 120.300 0.016 0.000 2.524 2150 Y HA 0.682 5.233 4.550 0.001 0.000 0.344 2150 Y C -0.466 175.433 175.900 -0.002 0.000 1.012 2150 Y CA -0.889 57.213 58.100 0.003 0.000 1.068 2150 Y CB 1.860 40.310 38.460 -0.016 0.000 1.249 2150 Y HN 0.266 nan 8.280 nan 0.000 0.468 2151 L N 2.040 123.356 121.223 0.154 0.000 2.381 2151 L HA 0.574 4.914 4.340 0.001 0.000 0.274 2151 L C -0.812 176.071 176.870 0.022 0.000 0.988 2151 L CA -0.564 54.318 54.840 0.070 0.000 0.824 2151 L CB 2.231 44.340 42.059 0.084 0.000 1.263 2151 L HN 0.645 nan 8.230 nan 0.000 0.410 2152 T N 1.218 115.737 114.554 -0.058 0.000 2.770 2152 T HA 0.226 4.576 4.350 0.001 0.000 0.283 2152 T C -0.352 174.251 174.700 -0.162 0.000 0.988 2152 T CA -0.433 61.592 62.100 -0.125 0.000 0.957 2152 T CB 1.564 70.285 68.868 -0.244 0.000 0.930 2152 T HN 0.409 nan 8.240 nan 0.000 0.443 2153 E N 2.737 122.868 120.200 -0.115 0.000 2.257 2153 E HA 0.263 4.614 4.350 0.001 0.000 0.278 2153 E C 0.499 176.975 176.600 -0.206 0.000 1.049 2153 E CA -0.470 55.859 56.400 -0.118 0.000 0.876 2153 E CB 0.432 30.130 29.700 -0.004 0.000 1.035 2153 E HN 0.621 nan 8.360 nan 0.000 0.419 2154 R N 3.057 123.421 120.500 -0.227 0.000 2.592 2154 R HA 0.487 4.828 4.340 0.001 0.000 0.439 2154 R C 0.129 176.328 176.300 -0.168 0.000 0.995 2154 R CA -0.179 55.772 56.100 -0.248 0.000 1.141 2154 R CB 0.078 30.187 30.300 -0.319 0.000 1.495 2154 R HN 0.644 nan 8.270 nan 0.000 0.579 2155 G N 0.021 108.732 108.800 -0.149 0.000 2.663 2155 G HA2 -0.032 3.929 3.960 0.001 0.000 0.686 2155 G HA3 -0.032 3.929 3.960 0.001 0.000 0.686 2155 G C -0.864 173.968 174.900 -0.113 0.000 1.246 2155 G CA -0.450 44.581 45.100 -0.116 0.000 0.795 2155 G HN 0.191 nan 8.290 nan 0.000 0.627 2156 T N 0.938 115.443 114.554 -0.081 0.000 2.893 2156 T HA 0.660 5.011 4.350 0.001 0.000 0.291 2156 T C 0.466 175.190 174.700 0.040 0.000 1.028 2156 T CA -0.059 62.010 62.100 -0.052 0.000 0.995 2156 T CB 1.705 70.526 68.868 -0.078 0.000 1.051 2156 T HN 0.875 nan 8.240 nan 0.000 0.470 2157 T N 2.938 117.534 114.554 0.071 0.000 2.866 2157 T HA 0.159 4.510 4.350 0.001 0.000 0.293 2157 T C -0.746 174.060 174.700 0.176 0.000 1.005 2157 T CA 0.524 62.696 62.100 0.121 0.000 1.162 2157 T CB -0.442 68.496 68.868 0.118 0.000 0.968 2157 T HN 0.429 nan 8.240 nan 0.000 0.530 2158 F N 3.953 123.895 119.950 -0.012 0.000 2.691 2158 F HA 0.521 5.048 4.527 0.001 0.000 0.371 2158 F C 0.663 176.430 175.800 -0.055 0.000 1.159 2158 F CA 0.065 58.044 58.000 -0.035 0.000 1.174 2158 F CB -0.098 38.885 39.000 -0.029 0.000 1.419 2158 F HN 0.928 nan 8.300 nan 0.000 0.514 2159 G N 2.842 111.404 108.800 -0.398 0.000 2.598 2159 G HA2 -0.287 3.674 3.960 0.001 0.000 0.244 2159 G HA3 -0.287 3.674 3.960 0.001 0.000 0.244 2159 G C -1.332 173.394 174.900 -0.291 0.000 1.302 2159 G CA -0.353 44.443 45.100 -0.508 0.000 0.903 2159 G HN 0.511 nan 8.290 nan 0.000 0.575 2160 Y N 1.644 121.904 120.300 -0.067 0.000 2.310 2160 Y HA 0.466 5.017 4.550 0.001 0.000 0.326 2160 Y C 1.469 177.377 175.900 0.014 0.000 1.151 2160 Y CA -0.504 57.587 58.100 -0.016 0.000 1.195 2160 Y CB 0.945 39.394 38.460 -0.018 0.000 1.210 2160 Y HN 0.647 nan 8.280 nan 0.000 0.483 2161 N N 1.810 120.642 118.700 0.220 0.000 2.721 2161 N HA -0.323 4.418 4.740 0.001 0.000 0.249 2161 N C -0.770 174.822 175.510 0.137 0.000 1.072 2161 N CA 1.020 54.160 53.050 0.150 0.000 0.710 2161 N CB -1.093 37.467 38.487 0.121 0.000 0.993 2161 N HN 0.892 nan 8.380 nan 0.000 0.547 2162 N N -0.374 118.414 118.700 0.146 0.000 2.405 2162 N HA 0.548 5.288 4.740 0.001 0.000 0.274 2162 N C -1.496 174.120 175.510 0.177 0.000 1.170 2162 N CA -0.542 52.604 53.050 0.160 0.000 0.848 2162 N CB 1.614 40.215 38.487 0.189 0.000 1.629 2162 N HN -0.019 nan 8.380 nan 0.000 0.481 2163 L N 1.947 123.257 121.223 0.144 0.000 2.370 2163 L HA 0.699 5.040 4.340 0.001 0.000 0.266 2163 L C -0.753 176.138 176.870 0.036 0.000 1.002 2163 L CA -1.008 53.892 54.840 0.101 0.000 0.818 2163 L CB 2.088 44.179 42.059 0.053 0.000 1.325 2163 L HN 0.284 nan 8.230 nan 0.000 0.418 2164 V N 2.605 122.493 119.914 -0.045 0.000 2.823 2164 V HA 0.559 4.679 4.120 0.001 0.000 0.312 2164 V C -0.835 175.151 176.094 -0.179 0.000 1.072 2164 V CA -0.493 61.686 62.300 -0.201 0.000 0.937 2164 V CB 2.566 34.085 31.823 -0.507 0.000 1.013 2164 V HN 0.406 nan 8.190 nan 0.000 0.430 2165 V N 5.145 124.938 119.914 -0.200 0.000 2.333 2165 V HA 0.377 4.498 4.120 0.001 0.000 0.274 2165 V C -0.309 175.568 176.094 -0.360 0.000 1.028 2165 V CA -0.463 61.645 62.300 -0.320 0.000 0.851 2165 V CB 1.357 32.912 31.823 -0.447 0.000 1.000 2165 V HN 0.912 nan 8.190 nan 0.000 0.456 2166 D N 4.000 124.215 120.400 -0.308 0.000 2.411 2166 D HA 0.238 4.879 4.640 0.001 0.000 0.225 2166 D C 0.669 176.834 176.300 -0.224 0.000 1.156 2166 D CA -0.329 53.559 54.000 -0.187 0.000 0.874 2166 D CB 0.663 41.380 40.800 -0.138 0.000 1.034 2166 D HN 0.399 nan 8.370 nan 0.000 0.502 2167 F N 2.076 121.977 119.950 -0.081 0.000 2.641 2167 F HA 0.010 4.537 4.527 0.001 0.000 0.298 2167 F C 2.248 178.008 175.800 -0.067 0.000 1.146 2167 F CA 0.417 58.365 58.000 -0.088 0.000 1.464 2167 F CB 0.068 38.999 39.000 -0.114 0.000 1.101 2167 F HN 0.286 nan 8.300 nan 0.000 0.585 2168 R N -0.213 120.332 120.500 0.076 0.000 2.193 2168 R HA -0.132 4.208 4.340 0.001 0.000 0.229 2168 R C 2.459 178.770 176.300 0.019 0.000 1.110 2168 R CA 1.273 57.407 56.100 0.057 0.000 0.988 2168 R CB -0.526 29.819 30.300 0.075 0.000 0.871 2168 R HN 0.350 nan 8.270 nan 0.000 0.458 2169 S N 0.645 116.323 115.700 -0.038 0.000 2.399 2169 S HA -0.120 4.351 4.470 0.001 0.000 0.231 2169 S C 1.859 176.419 174.600 -0.067 0.000 1.022 2169 S CA 0.762 58.919 58.200 -0.073 0.000 0.983 2169 S CB -0.176 62.944 63.200 -0.133 0.000 0.803 2169 S HN 0.062 nan 8.310 nan 0.000 0.480 2170 L N 2.786 123.981 121.223 -0.046 0.000 1.970 2170 L HA 0.029 4.370 4.340 0.001 0.000 0.212 2170 L C -0.370 176.445 176.870 -0.091 0.000 1.071 2170 L CA 1.940 56.752 54.840 -0.048 0.000 0.751 2170 L CB -1.664 40.395 42.059 0.001 0.000 0.889 2170 L HN 0.283 nan 8.230 nan 0.000 0.432 2171 P HA -0.121 nan 4.420 nan 0.000 0.221 2171 P C 2.047 179.247 177.300 -0.166 0.000 1.150 2171 P CA 1.466 64.504 63.100 -0.104 0.000 0.800 2171 P CB 0.127 31.795 31.700 -0.054 0.000 0.787 2172 I N -0.622 119.865 120.570 -0.138 0.000 2.202 2172 I HA -0.192 3.979 4.170 0.001 0.000 0.242 2172 I C 2.733 178.521 176.117 -0.548 0.000 1.091 2172 I CA 1.525 62.704 61.300 -0.203 0.000 1.368 2172 I CB -0.622 37.397 38.000 0.031 0.000 1.058 2172 I HN -0.169 nan 8.210 nan 0.000 0.410 2173 M N 0.125 119.494 119.600 -0.384 0.000 2.296 2173 M HA -0.163 4.317 4.480 0.001 0.000 0.265 2173 M C 2.132 178.031 176.300 -0.668 0.000 1.064 2173 M CA 1.175 56.171 55.300 -0.507 0.000 1.109 2173 M CB -0.351 32.183 32.600 -0.110 0.000 1.396 2173 M HN -0.005 nan 8.290 nan 0.000 0.430 2174 K N 1.148 121.288 120.400 -0.433 0.000 2.360 2174 K HA -0.142 4.178 4.320 0.001 0.000 0.201 2174 K C 1.639 178.013 176.600 -0.377 0.000 1.046 2174 K CA 1.413 57.512 56.287 -0.314 0.000 0.945 2174 K CB -0.170 32.210 32.500 -0.201 0.000 0.750 2174 K HN 0.431 nan 8.250 nan 0.000 0.464 2175 Q N -1.261 118.158 119.800 -0.635 0.000 2.226 2175 Q HA -0.127 4.213 4.340 0.001 0.000 0.204 2175 Q C 0.578 176.446 176.000 -0.221 0.000 0.975 2175 Q CA 1.604 57.120 55.803 -0.477 0.000 0.866 2175 Q CB -0.057 28.307 28.738 -0.623 0.000 0.915 2175 Q HN 0.660 nan 8.270 nan 0.000 0.440 2176 W N -2.453 118.850 121.300 0.005 0.000 2.324 2176 W HA 0.711 5.371 4.660 0.001 0.000 0.316 2176 W C -0.175 176.330 176.519 -0.024 0.000 0.927 2176 W CA -0.228 57.115 57.345 -0.003 0.000 1.438 2176 W CB 0.261 29.727 29.460 0.009 0.000 1.085 2176 W HN -0.096 nan 8.180 nan 0.000 0.532 2177 A N 0.712 123.560 122.820 0.047 0.000 2.566 2177 A HA 0.581 4.901 4.320 0.001 0.000 0.290 2177 A C -1.105 176.437 177.584 -0.070 0.000 1.071 2177 A CA -1.227 50.823 52.037 0.021 0.000 0.658 2177 A CB 0.912 19.985 19.000 0.121 0.000 1.285 2177 A HN 0.027 nan 8.150 nan 0.000 0.427 2178 K N 0.490 120.813 120.400 -0.129 0.000 2.298 2178 K HA 0.505 4.826 4.320 0.001 0.000 0.280 2178 K C -0.800 175.810 176.600 0.016 0.000 1.032 2178 K CA -0.241 55.986 56.287 -0.100 0.000 0.958 2178 K CB 1.249 33.606 32.500 -0.238 0.000 0.978 2178 K HN 0.384 nan 8.250 nan 0.000 0.472 2179 V N 4.782 124.714 119.914 0.029 0.000 2.435 2179 V HA 0.354 4.475 4.120 0.001 0.000 0.290 2179 V C -0.083 176.054 176.094 0.072 0.000 1.030 2179 V CA -0.866 61.460 62.300 0.044 0.000 0.881 2179 V CB 1.364 33.181 31.823 -0.010 0.000 0.983 2179 V HN 0.583 nan 8.190 nan 0.000 0.445 2180 I N 4.099 124.711 120.570 0.069 0.000 2.530 2180 I HA 0.385 4.555 4.170 0.001 0.000 0.297 2180 I C -0.884 175.277 176.117 0.075 0.000 1.011 2180 I CA -0.820 60.506 61.300 0.043 0.000 1.107 2180 I CB 1.833 39.828 38.000 -0.008 0.000 1.285 2180 I HN 0.690 nan 8.210 nan 0.000 0.436 2181 Y N 4.913 125.214 120.300 0.002 0.000 2.331 2181 Y HA 0.326 4.876 4.550 0.001 0.000 0.338 2181 Y C -0.035 175.894 175.900 0.048 0.000 0.976 2181 Y CA -0.804 57.304 58.100 0.014 0.000 1.137 2181 Y CB 0.866 39.378 38.460 0.086 0.000 1.172 2181 Y HN 0.499 nan 8.280 nan 0.000 0.478 2182 D N 5.271 125.265 120.400 -0.678 0.000 2.393 2182 D HA 0.227 4.868 4.640 0.001 0.000 0.232 2182 D C 0.598 176.412 176.300 -0.809 0.000 1.192 2182 D CA 0.367 54.059 54.000 -0.514 0.000 0.882 2182 D CB 1.273 41.770 40.800 -0.505 0.000 1.038 2182 D HN 0.822 nan 8.370 nan 0.000 0.499 2183 A N 2.942 125.470 122.820 -0.487 0.000 2.014 2183 A HA -0.104 4.216 4.320 0.001 0.000 0.218 2183 A C 1.942 179.499 177.584 -0.046 0.000 1.163 2183 A CA 1.708 53.611 52.037 -0.223 0.000 0.652 2183 A CB -0.234 18.854 19.000 0.145 0.000 0.808 2183 A HN 0.614 nan 8.150 nan 0.000 0.449 2184 T N -3.779 110.748 114.554 -0.044 0.000 2.983 2184 T HA 0.013 4.363 4.350 0.001 0.000 0.250 2184 T C 1.656 176.275 174.700 -0.135 0.000 1.037 2184 T CA 1.243 63.294 62.100 -0.080 0.000 1.142 2184 T CB -0.548 68.239 68.868 -0.135 0.000 0.876 2184 T HN 0.565 nan 8.240 nan 0.000 0.455 2185 H N 1.229 120.266 119.070 -0.054 0.000 2.502 2185 H HA 0.283 4.840 4.556 0.001 0.000 0.283 2185 H C 2.409 177.683 175.328 -0.089 0.000 1.015 2185 H CA 1.035 57.031 56.048 -0.085 0.000 1.298 2185 H CB -0.016 29.646 29.762 -0.167 0.000 1.411 2185 H HN 0.290 nan 8.280 nan 0.000 0.556 2186 S N 0.165 115.856 115.700 -0.016 0.000 2.474 2186 S HA -0.094 4.377 4.470 0.001 0.000 0.235 2186 S C 1.923 176.558 174.600 0.058 0.000 0.997 2186 S CA 1.123 59.316 58.200 -0.012 0.000 0.949 2186 S CB -0.039 63.142 63.200 -0.032 0.000 0.766 2186 S HN 0.461 nan 8.310 nan 0.000 0.517 2187 V N 0.245 120.211 119.914 0.086 0.000 3.578 2187 V HA 0.239 4.359 4.120 0.001 0.000 0.290 2187 V C 0.372 176.536 176.094 0.116 0.000 1.376 2187 V CA -0.532 61.849 62.300 0.135 0.000 1.083 2187 V CB -0.912 31.034 31.823 0.206 0.000 0.911 2187 V HN 0.491 nan 8.190 nan 0.000 0.433 2188 Q N 1.344 121.194 119.800 0.083 0.000 2.340 2188 Q HA 0.602 4.943 4.340 0.001 0.000 0.249 2188 Q C -0.718 175.338 176.000 0.093 0.000 0.957 2188 Q CA -0.556 55.296 55.803 0.081 0.000 0.882 2188 Q CB 1.483 30.266 28.738 0.076 0.000 1.235 2188 Q HN 0.512 nan 8.270 nan 0.000 0.439 2189 L N 2.994 124.274 121.223 0.094 0.000 2.283 2189 L HA 0.415 4.755 4.340 0.001 0.000 0.281 2189 L C -2.256 174.673 176.870 0.098 0.000 1.033 2189 L CA -2.457 52.444 54.840 0.101 0.000 0.848 2189 L CB 1.015 43.134 42.059 0.100 0.000 1.226 2189 L HN 0.486 nan 8.230 nan 0.000 0.429 2190 P HA -0.045 nan 4.420 nan 0.000 0.258 2190 P C 1.007 178.369 177.300 0.103 0.000 1.172 2190 P CA 0.694 63.866 63.100 0.120 0.000 0.762 2190 P CB 0.632 32.422 31.700 0.150 0.000 0.764 2191 G N 3.461 112.315 108.800 0.091 0.000 2.233 2191 G HA2 -0.329 3.631 3.960 0.001 0.000 0.270 2191 G HA3 -0.329 3.631 3.960 0.001 0.000 0.270 2191 G C 1.332 176.267 174.900 0.058 0.000 1.011 2191 G CA 0.436 45.576 45.100 0.068 0.000 0.762 2191 G HN 0.712 nan 8.290 nan 0.000 0.511 2192 G N -0.535 108.305 108.800 0.066 0.000 2.450 2192 G HA2 -0.017 3.944 3.960 0.001 0.000 0.220 2192 G HA3 -0.017 3.944 3.960 0.001 0.000 0.220 2192 G C 1.228 176.157 174.900 0.048 0.000 1.130 2192 G CA 1.083 46.221 45.100 0.062 0.000 0.760 2192 G HN 0.545 nan 8.290 nan 0.000 0.557 2193 L N 0.723 121.972 121.223 0.044 0.000 2.791 2193 L HA 0.281 4.622 4.340 0.001 0.000 0.239 2193 L C 1.984 178.873 176.870 0.031 0.000 1.203 2193 L CA 0.839 55.700 54.840 0.035 0.000 1.002 2193 L CB -0.744 41.335 42.059 0.033 0.000 1.295 2193 L HN 0.421 nan 8.230 nan 0.000 0.504 2194 G N 1.822 110.639 108.800 0.030 0.000 5.229 2194 G HA2 -0.427 3.533 3.960 0.001 0.000 0.250 2194 G HA3 -0.427 3.533 3.960 0.001 0.000 0.250 2194 G C 0.903 175.820 174.900 0.028 0.000 1.380 2194 G CA 0.559 45.673 45.100 0.023 0.000 0.933 2194 G HN 0.455 nan 8.290 nan 0.000 0.731 2195 D N 1.512 121.933 120.400 0.034 0.000 2.323 2195 D HA 0.147 4.788 4.640 0.001 0.000 0.209 2195 D C 0.993 177.321 176.300 0.046 0.000 0.973 2195 D CA 1.232 55.257 54.000 0.042 0.000 0.874 2195 D CB 0.258 41.088 40.800 0.049 0.000 0.930 2195 D HN 0.626 nan 8.370 nan 0.000 0.521 2196 K N -0.635 119.792 120.400 0.045 0.000 2.499 2196 K HA 0.419 4.740 4.320 0.001 0.000 0.277 2196 K C -0.976 175.655 176.600 0.052 0.000 1.025 2196 K CA -0.780 55.537 56.287 0.050 0.000 0.900 2196 K CB 2.157 34.685 32.500 0.047 0.000 1.494 2196 K HN -0.215 nan 8.250 nan 0.000 0.442 2197 S N -0.208 115.528 115.700 0.059 0.000 2.632 2197 S HA 0.532 5.002 4.470 0.001 0.000 0.271 2197 S C 0.110 174.743 174.600 0.055 0.000 1.260 2197 S CA -0.593 57.646 58.200 0.065 0.000 1.010 2197 S CB 1.394 64.641 63.200 0.078 0.000 0.965 2197 S HN 0.690 nan 8.310 nan 0.000 0.534 2198 G N -0.613 108.223 108.800 0.060 0.000 2.990 2198 G HA2 0.832 4.792 3.960 0.001 0.000 0.208 2198 G HA3 0.832 4.792 3.960 0.001 0.000 0.208 2198 G C -0.198 174.738 174.900 0.061 0.000 1.334 2198 G CA -0.438 44.695 45.100 0.054 0.000 1.024 2198 G HN 1.134 nan 8.290 nan 0.000 0.574 2199 G N -2.066 106.775 108.800 0.068 0.000 2.358 2199 G HA2 0.461 4.422 3.960 0.001 0.000 0.303 2199 G HA3 0.461 4.422 3.960 0.001 0.000 0.303 2199 G C -1.543 173.409 174.900 0.088 0.000 1.537 2199 G CA -0.853 44.298 45.100 0.086 0.000 0.928 2199 G HN 0.543 nan 8.290 nan 0.000 0.656 2200 M N 1.411 121.094 119.600 0.140 0.000 2.044 2200 M HA 0.470 4.950 4.480 0.001 0.000 0.333 2200 M C 1.292 177.610 176.300 0.031 0.000 1.004 2200 M CA -0.575 54.777 55.300 0.087 0.000 0.954 2200 M CB 1.719 34.438 32.600 0.198 0.000 1.468 2200 M HN 0.666 nan 8.290 nan 0.000 0.414 2201 R N 2.158 122.641 120.500 -0.028 0.000 2.152 2201 R HA -0.167 4.173 4.340 0.001 0.000 0.232 2201 R C 1.560 177.819 176.300 -0.067 0.000 1.117 2201 R CA 2.063 58.148 56.100 -0.024 0.000 0.981 2201 R CB 0.118 30.398 30.300 -0.033 0.000 0.870 2201 R HN 0.834 nan 8.270 nan 0.000 0.451 2202 E N -0.624 119.438 120.200 -0.230 0.000 2.331 2202 E HA -0.195 4.155 4.350 0.001 0.000 0.199 2202 E C 0.598 177.001 176.600 -0.328 0.000 1.008 2202 E CA 0.943 57.138 56.400 -0.342 0.000 0.843 2202 E CB -0.144 29.218 29.700 -0.564 0.000 0.761 2202 E HN 0.393 nan 8.360 nan 0.000 0.507 2203 F N 0.460 120.465 119.950 0.092 0.000 2.695 2203 F HA 0.335 4.862 4.527 0.001 0.000 0.303 2203 F C 1.757 177.649 175.800 0.153 0.000 1.091 2203 F CA -0.642 57.422 58.000 0.108 0.000 1.300 2203 F CB -0.035 39.022 39.000 0.095 0.000 1.071 2203 F HN -0.057 nan 8.300 nan 0.000 0.578 2204 I N -0.447 120.286 120.570 0.272 0.000 2.099 2204 I HA -0.367 3.804 4.170 0.001 0.000 0.239 2204 I C 2.546 178.874 176.117 0.351 0.000 1.066 2204 I CA 1.877 63.335 61.300 0.263 0.000 1.324 2204 I CB -0.498 37.594 38.000 0.152 0.000 1.037 2204 I HN 0.134 nan 8.210 nan 0.000 0.401 2205 F N 1.839 121.861 119.950 0.120 0.000 2.075 2205 F HA -0.162 4.366 4.527 0.001 0.000 0.297 2205 F C -0.335 175.528 175.800 0.104 0.000 1.113 2205 F CA 1.214 59.274 58.000 0.100 0.000 1.218 2205 F CB -1.054 37.981 39.000 0.058 0.000 0.984 2205 F HN 0.019 nan 8.300 nan 0.000 0.472 2206 P HA -0.211 nan 4.420 nan 0.000 0.216 2206 P C 1.717 179.050 177.300 0.055 0.000 1.153 2206 P CA 1.637 64.753 63.100 0.027 0.000 0.858 2206 P CB -0.103 31.669 31.700 0.119 0.000 0.789 2207 L N -1.563 119.774 121.223 0.190 0.000 2.217 2207 L HA -0.074 4.267 4.340 0.001 0.000 0.211 2207 L C 2.416 179.378 176.870 0.154 0.000 1.107 2207 L CA 0.939 55.903 54.840 0.206 0.000 0.783 2207 L CB -0.570 41.727 42.059 0.397 0.000 0.919 2207 L HN -0.033 nan 8.230 nan 0.000 0.442 2208 I N -0.240 120.509 120.570 0.298 0.000 2.439 2208 I HA -0.226 3.944 4.170 0.001 0.000 0.251 2208 I C 2.717 178.917 176.117 0.138 0.000 1.139 2208 I CA 0.914 62.404 61.300 0.316 0.000 1.438 2208 I CB -0.027 38.234 38.000 0.435 0.000 1.085 2208 I HN 0.210 nan 8.210 nan 0.000 0.427 2209 R N 0.663 121.206 120.500 0.072 0.000 2.075 2209 R HA -0.114 4.227 4.340 0.001 0.000 0.232 2209 R C 2.355 178.574 176.300 -0.135 0.000 1.126 2209 R CA 1.383 57.458 56.100 -0.042 0.000 0.963 2209 R CB -0.489 29.710 30.300 -0.168 0.000 0.858 2209 R HN 0.407 nan 8.270 nan 0.000 0.435 2210 A N 1.529 124.199 122.820 -0.249 0.000 1.902 2210 A HA -0.121 4.200 4.320 0.001 0.000 0.217 2210 A C 2.417 179.704 177.584 -0.496 0.000 1.181 2210 A CA 1.684 53.418 52.037 -0.505 0.000 0.623 2210 A CB -0.613 17.841 19.000 -0.910 0.000 0.818 2210 A HN 0.387 nan 8.150 nan 0.000 0.443 2211 A N -0.028 122.592 122.820 -0.333 0.000 1.883 2211 A HA -0.075 4.246 4.320 0.001 0.000 0.217 2211 A C 2.301 179.865 177.584 -0.033 0.000 1.186 2211 A CA 2.492 54.450 52.037 -0.132 0.000 0.624 2211 A CB -1.274 17.562 19.000 -0.273 0.000 0.822 2211 A HN 1.170 nan 8.150 nan 0.000 0.444 2212 V N -2.942 116.980 119.914 0.013 0.000 2.871 2212 V HA 0.153 4.274 4.120 0.001 0.000 0.256 2212 V C 2.408 178.563 176.094 0.102 0.000 1.082 2212 V CA 1.462 63.803 62.300 0.069 0.000 1.105 2212 V CB -1.181 30.668 31.823 0.044 0.000 0.713 2212 V HN 0.497 nan 8.190 nan 0.000 0.473 2213 A N 0.499 123.328 122.820 0.015 0.000 1.929 2213 A HA 0.010 4.331 4.320 0.001 0.000 0.216 2213 A C 2.316 179.961 177.584 0.100 0.000 1.176 2213 A CA 1.876 53.942 52.037 0.049 0.000 0.628 2213 A CB -0.607 18.349 19.000 -0.072 0.000 0.816 2213 A HN 0.409 nan 8.150 nan 0.000 0.444 2214 V N -0.847 119.047 119.914 -0.035 0.000 2.323 2214 V HA 0.275 4.396 4.120 0.001 0.000 0.244 2214 V C 1.318 177.315 176.094 -0.163 0.000 1.041 2214 V CA 1.392 63.662 62.300 -0.050 0.000 1.025 2214 V CB -1.115 30.672 31.823 -0.060 0.000 0.656 2214 V HN 1.226 nan 8.190 nan 0.000 0.451 2215 G N -0.320 108.292 108.800 -0.315 0.000 3.400 2215 G HA2 0.108 4.068 3.960 0.001 0.000 0.679 2215 G HA3 0.108 4.068 3.960 0.001 0.000 0.679 2215 G C -0.774 173.898 174.900 -0.380 0.000 1.239 2215 G CA -0.650 43.930 45.100 -0.867 0.000 1.049 2215 G HN 1.016 nan 8.290 nan 0.000 0.539 2216 C N 0.339 119.532 119.300 -0.178 0.000 3.291 2216 C HA 0.868 5.328 4.460 0.001 0.000 0.316 2216 C C 0.555 175.626 174.990 0.134 0.000 1.391 2216 C CA -0.559 58.465 59.018 0.010 0.000 1.394 2216 C CB 1.899 29.705 27.740 0.110 0.000 1.744 2216 C HN 0.642 nan 8.230 nan 0.000 0.461 2217 D N 0.345 120.790 120.400 0.075 0.000 2.339 2217 D HA 0.398 5.038 4.640 0.001 0.000 0.217 2217 D C 0.789 176.947 176.300 -0.237 0.000 1.050 2217 D CA 1.347 55.382 54.000 0.058 0.000 0.856 2217 D CB 0.909 41.745 40.800 0.060 0.000 0.922 2217 D HN 1.107 nan 8.370 nan 0.000 0.518 2218 G N -0.431 108.139 108.800 -0.383 0.000 2.328 2218 G HA2 0.372 4.332 3.960 0.001 0.000 0.295 2218 G HA3 0.372 4.332 3.960 0.001 0.000 0.295 2218 G C -1.769 172.921 174.900 -0.350 0.000 1.413 2218 G CA -0.588 43.970 45.100 -0.902 0.000 0.817 2218 G HN -0.048 nan 8.290 nan 0.000 0.546 2219 V N -0.005 119.725 119.914 -0.306 0.000 2.914 2219 V HA 0.797 4.917 4.120 0.001 0.000 0.314 2219 V C -1.276 174.827 176.094 0.016 0.000 1.084 2219 V CA -0.747 61.568 62.300 0.025 0.000 0.963 2219 V CB 2.060 33.997 31.823 0.189 0.000 1.025 2219 V HN 0.894 nan 8.190 nan 0.000 0.432 2220 F N 4.185 124.065 119.950 -0.117 0.000 2.493 2220 F HA 0.829 5.356 4.527 0.001 0.000 0.329 2220 F C -0.583 175.148 175.800 -0.115 0.000 1.126 2220 F CA -0.770 57.150 58.000 -0.134 0.000 0.937 2220 F CB 1.573 40.484 39.000 -0.148 0.000 1.146 2220 F HN 0.387 nan 8.300 nan 0.000 0.442 2221 M N 5.246 124.670 119.600 -0.294 0.000 2.267 2221 M HA 0.303 4.784 4.480 0.001 0.000 0.289 2221 M C -1.083 175.017 176.300 -0.334 0.000 1.043 2221 M CA -0.575 54.615 55.300 -0.183 0.000 0.928 2221 M CB 2.599 35.137 32.600 -0.103 0.000 1.613 2221 M HN 0.536 nan 8.290 nan 0.000 0.450 2222 E N 1.530 121.608 120.200 -0.204 0.000 2.259 2222 E HA 0.343 4.693 4.350 0.001 0.000 0.281 2222 E C -0.514 176.008 176.600 -0.129 0.000 1.037 2222 E CA -0.042 56.244 56.400 -0.191 0.000 0.854 2222 E CB 1.483 31.101 29.700 -0.136 0.000 1.051 2222 E HN 0.422 nan 8.360 nan 0.000 0.409 2223 T N 2.882 117.364 114.554 -0.119 0.000 2.916 2223 T HA 0.230 4.580 4.350 0.001 0.000 0.298 2223 T C -1.721 172.985 174.700 0.010 0.000 1.031 2223 T CA -0.650 61.416 62.100 -0.057 0.000 0.993 2223 T CB 0.949 69.768 68.868 -0.082 0.000 1.045 2223 T HN 0.447 nan 8.240 nan 0.000 0.454 2224 H N 4.028 123.061 119.070 -0.062 0.000 2.894 2224 H HA 0.368 4.924 4.556 0.001 0.000 0.367 2224 H C -2.457 172.852 175.328 -0.031 0.000 1.144 2224 H CA -1.771 54.253 56.048 -0.040 0.000 1.180 2224 H CB 2.793 32.532 29.762 -0.038 0.000 1.758 2224 H HN 0.319 nan 8.280 nan 0.000 0.541 2225 P HA -0.095 nan 4.420 nan 0.000 0.216 2225 P C -0.667 176.733 177.300 0.166 0.000 1.150 2225 P CA 1.496 64.626 63.100 0.050 0.000 0.843 2225 P CB 0.409 32.083 31.700 -0.044 0.000 0.787 2226 E N -2.471 117.973 120.200 0.406 0.000 2.923 2226 E HA 0.152 4.502 4.350 0.001 0.000 0.266 2226 E C -2.239 174.345 176.600 -0.026 0.000 1.157 2226 E CA -1.589 54.913 56.400 0.171 0.000 0.795 2226 E CB 1.091 30.860 29.700 0.114 0.000 1.454 2226 E HN 0.066 nan 8.360 nan 0.000 0.386 2227 P HA -0.314 nan 4.420 nan 0.000 0.218 2227 P C 1.216 178.377 177.300 -0.232 0.000 1.154 2227 P CA 1.539 64.501 63.100 -0.231 0.000 0.872 2227 P CB 0.173 31.819 31.700 -0.091 0.000 0.790 2228 E N 0.426 120.548 120.200 -0.130 0.000 2.171 2228 E HA -0.228 4.123 4.350 0.001 0.000 0.197 2228 E C 1.285 177.814 176.600 -0.118 0.000 0.997 2228 E CA 1.283 57.625 56.400 -0.097 0.000 0.810 2228 E CB -0.776 28.891 29.700 -0.055 0.000 0.738 2228 E HN 0.318 nan 8.360 nan 0.000 0.467 2229 K N 0.603 120.910 120.400 -0.155 0.000 2.374 2229 K HA 0.284 4.605 4.320 0.001 0.000 0.196 2229 K C 0.493 176.960 176.600 -0.223 0.000 1.023 2229 K CA 0.136 56.342 56.287 -0.135 0.000 1.103 2229 K CB 0.685 33.154 32.500 -0.052 0.000 0.848 2229 K HN 0.126 nan 8.250 nan 0.000 0.528 2230 A N 1.132 123.706 122.820 -0.411 0.000 2.507 2230 A HA 0.063 4.384 4.320 0.001 0.000 0.235 2230 A C 0.851 178.315 177.584 -0.199 0.000 1.070 2230 A CA 0.062 51.844 52.037 -0.425 0.000 0.768 2230 A CB 0.109 18.823 19.000 -0.477 0.000 1.011 2230 A HN 0.294 nan 8.150 nan 0.000 0.502 2231 L N 0.917 122.034 121.223 -0.176 0.000 2.592 2231 L HA 0.199 4.540 4.340 0.001 0.000 0.227 2231 L C 0.842 177.722 176.870 0.017 0.000 1.127 2231 L CA 0.492 55.235 54.840 -0.161 0.000 0.884 2231 L CB -0.195 41.535 42.059 -0.547 0.000 1.065 2231 L HN 0.635 nan 8.230 nan 0.000 0.457 2232 S N -0.606 115.106 115.700 0.020 0.000 2.535 2232 S HA 0.264 4.735 4.470 0.001 0.000 0.272 2232 S C -1.060 173.551 174.600 0.019 0.000 1.149 2232 S CA -0.670 57.575 58.200 0.076 0.000 0.888 2232 S CB 1.021 64.317 63.200 0.159 0.000 1.110 2232 S HN 0.282 nan 8.310 nan 0.000 0.463 2233 D N 1.768 122.181 120.400 0.022 0.000 2.692 2233 D HA -0.180 4.461 4.640 0.001 0.000 0.233 2233 D C 1.019 177.289 176.300 -0.050 0.000 1.172 2233 D CA 1.023 55.015 54.000 -0.012 0.000 0.636 2233 D CB -1.208 39.570 40.800 -0.036 0.000 1.028 2233 D HN 0.685 nan 8.370 nan 0.000 0.419 2234 A N -0.522 122.265 122.820 -0.055 0.000 2.067 2234 A HA -0.080 4.240 4.320 0.001 0.000 0.219 2234 A C 2.230 179.776 177.584 -0.063 0.000 1.158 2234 A CA 1.422 53.406 52.037 -0.088 0.000 0.661 2234 A CB 0.160 19.110 19.000 -0.083 0.000 0.801 2234 A HN 0.283 nan 8.150 nan 0.000 0.452 2235 S N -0.979 114.699 115.700 -0.036 0.000 2.558 2235 S HA 0.006 4.477 4.470 0.001 0.000 0.217 2235 S C 1.546 176.132 174.600 -0.023 0.000 0.975 2235 S CA 1.182 59.368 58.200 -0.022 0.000 0.912 2235 S CB 0.030 63.230 63.200 -0.000 0.000 0.776 2235 S HN 0.886 nan 8.310 nan 0.000 0.526 2236 T N -1.984 112.547 114.554 -0.039 0.000 2.986 2236 T HA 0.248 4.599 4.350 0.001 0.000 0.264 2236 T C 0.305 174.965 174.700 -0.067 0.000 0.964 2236 T CA -0.338 61.734 62.100 -0.046 0.000 0.895 2236 T CB 0.012 68.844 68.868 -0.061 0.000 1.163 2236 T HN 0.093 nan 8.240 nan 0.000 0.517 2237 Q N 1.299 121.055 119.800 -0.073 0.000 2.337 2237 Q HA 0.399 4.740 4.340 0.001 0.000 0.270 2237 Q C -0.806 175.169 176.000 -0.041 0.000 1.002 2237 Q CA -0.451 55.315 55.803 -0.063 0.000 0.888 2237 Q CB 1.205 29.917 28.738 -0.044 0.000 1.222 2237 Q HN 0.321 nan 8.270 nan 0.000 0.400 2238 L N 5.441 126.639 121.223 -0.041 0.000 2.367 2238 L HA 0.269 4.610 4.340 0.001 0.000 0.275 2238 L C -2.357 174.502 176.870 -0.019 0.000 1.129 2238 L CA -1.511 53.307 54.840 -0.037 0.000 0.839 2238 L CB 0.698 42.725 42.059 -0.053 0.000 1.133 2238 L HN 0.388 nan 8.230 nan 0.000 0.453 2239 P HA -0.018 nan 4.420 nan 0.000 0.264 2239 P C 0.948 178.242 177.300 -0.011 0.000 1.193 2239 P CA 0.144 63.244 63.100 0.000 0.000 0.763 2239 P CB 0.577 32.272 31.700 -0.008 0.000 0.810 2240 L N 3.086 124.309 121.223 -0.000 0.000 2.089 2240 L HA -0.278 4.063 4.340 0.001 0.000 0.213 2240 L C 2.057 178.914 176.870 -0.021 0.000 1.079 2240 L CA 2.503 57.331 54.840 -0.019 0.000 0.758 2240 L CB -0.579 41.465 42.059 -0.026 0.000 0.891 2240 L HN 0.451 nan 8.230 nan 0.000 0.433 2241 S N -1.578 114.112 115.700 -0.016 0.000 2.442 2241 S HA -0.232 4.239 4.470 0.001 0.000 0.236 2241 S C 1.613 176.200 174.600 -0.021 0.000 1.007 2241 S CA 0.894 59.085 58.200 -0.015 0.000 0.965 2241 S CB -0.221 62.973 63.200 -0.010 0.000 0.773 2241 S HN 0.579 nan 8.310 nan 0.000 0.504 2242 Q N -0.207 119.570 119.800 -0.038 0.000 2.392 2242 Q HA 0.311 4.651 4.340 0.001 0.000 0.203 2242 Q C 1.725 177.670 176.000 -0.092 0.000 0.917 2242 Q CA -0.006 55.755 55.803 -0.069 0.000 0.939 2242 Q CB -0.085 28.599 28.738 -0.090 0.000 1.063 2242 Q HN 0.452 nan 8.270 nan 0.000 0.516 2243 L N 1.396 122.586 121.223 -0.055 0.000 2.017 2243 L HA -0.204 4.137 4.340 0.001 0.000 0.208 2243 L C 2.153 179.019 176.870 -0.007 0.000 1.073 2243 L CA 1.948 56.763 54.840 -0.041 0.000 0.745 2243 L CB -0.357 41.697 42.059 -0.009 0.000 0.894 2243 L HN 0.209 nan 8.230 nan 0.000 0.432 2244 E N -0.899 119.330 120.200 0.047 0.000 2.058 2244 E HA -0.218 4.133 4.350 0.001 0.000 0.194 2244 E C 2.073 178.729 176.600 0.094 0.000 0.997 2244 E CA 1.249 57.736 56.400 0.145 0.000 0.801 2244 E CB -0.507 29.291 29.700 0.165 0.000 0.746 2244 E HN 0.619 nan 8.360 nan 0.000 0.450 2245 G N 1.315 110.129 108.800 0.023 0.000 2.440 2245 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 2245 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 2245 G C 1.618 176.470 174.900 -0.080 0.000 1.154 2245 G CA 0.949 46.047 45.100 -0.002 0.000 0.767 2245 G HN 0.265 nan 8.290 nan 0.000 0.552 2246 I N 0.449 120.880 120.570 -0.232 0.000 2.252 2246 I HA -0.112 4.059 4.170 0.001 0.000 0.245 2246 I C 2.666 178.715 176.117 -0.113 0.000 1.102 2246 I CA 0.734 61.822 61.300 -0.354 0.000 1.385 2246 I CB -0.198 37.528 38.000 -0.457 0.000 1.064 2246 I HN 0.169 nan 8.210 nan 0.000 0.414 2247 I N 0.614 121.107 120.570 -0.129 0.000 2.179 2247 I HA -0.285 3.886 4.170 0.001 0.000 0.242 2247 I C 2.633 178.575 176.117 -0.291 0.000 1.088 2247 I CA 1.367 62.533 61.300 -0.223 0.000 1.357 2247 I CB -0.360 37.418 38.000 -0.370 0.000 1.051 2247 I HN 0.225 nan 8.210 nan 0.000 0.409 2248 E N 1.648 121.724 120.200 -0.207 0.000 2.077 2248 E HA -0.211 4.139 4.350 0.001 0.000 0.193 2248 E C 2.072 178.682 176.600 0.017 0.000 0.989 2248 E CA 1.813 58.191 56.400 -0.036 0.000 0.800 2248 E CB -0.200 29.610 29.700 0.183 0.000 0.746 2248 E HN 0.407 nan 8.360 nan 0.000 0.452 2249 A N 1.257 124.121 122.820 0.073 0.000 1.877 2249 A HA -0.150 4.171 4.320 0.001 0.000 0.216 2249 A C 2.407 180.046 177.584 0.093 0.000 1.186 2249 A CA 1.930 54.059 52.037 0.152 0.000 0.620 2249 A CB -1.070 18.174 19.000 0.408 0.000 0.822 2249 A HN 0.539 nan 8.150 nan 0.000 0.443 2250 I N -2.788 117.828 120.570 0.076 0.000 2.493 2250 I HA -0.115 4.055 4.170 0.001 0.000 0.254 2250 I C 2.069 178.105 176.117 -0.134 0.000 1.160 2250 I CA 1.107 62.411 61.300 0.007 0.000 1.445 2250 I CB -0.417 37.614 38.000 0.053 0.000 1.086 2250 I HN 0.202 nan 8.210 nan 0.000 0.433 2251 L N 1.085 122.212 121.223 -0.160 0.000 2.056 2251 L HA -0.120 4.221 4.340 0.001 0.000 0.207 2251 L C 2.680 179.483 176.870 -0.112 0.000 1.078 2251 L CA 1.498 56.219 54.840 -0.199 0.000 0.749 2251 L CB -0.526 41.443 42.059 -0.152 0.000 0.901 2251 L HN 0.275 nan 8.230 nan 0.000 0.433 2252 E N 0.327 120.497 120.200 -0.049 0.000 2.047 2252 E HA -0.205 4.146 4.350 0.001 0.000 0.191 2252 E C 2.262 178.838 176.600 -0.040 0.000 0.987 2252 E CA 1.201 57.586 56.400 -0.024 0.000 0.799 2252 E CB -0.065 29.641 29.700 0.009 0.000 0.752 2252 E HN 0.454 nan 8.360 nan 0.000 0.449 2253 I N 0.801 121.347 120.570 -0.040 0.000 2.226 2253 I HA -0.268 3.903 4.170 0.001 0.000 0.245 2253 I C 2.727 178.814 176.117 -0.050 0.000 1.100 2253 I CA 1.021 62.298 61.300 -0.038 0.000 1.374 2253 I CB -0.244 37.738 38.000 -0.029 0.000 1.057 2253 I HN 0.037 nan 8.210 nan 0.000 0.413 2254 R N 1.055 121.504 120.500 -0.085 0.000 2.081 2254 R HA -0.223 4.117 4.340 0.001 0.000 0.235 2254 R C 2.351 178.567 176.300 -0.139 0.000 1.131 2254 R CA 1.568 57.614 56.100 -0.090 0.000 0.960 2254 R CB -0.255 29.904 30.300 -0.235 0.000 0.856 2254 R HN 0.253 nan 8.270 nan 0.000 0.436 2255 E N 0.359 120.485 120.200 -0.124 0.000 2.058 2255 E HA -0.158 4.193 4.350 0.001 0.000 0.194 2255 E C 1.861 178.383 176.600 -0.130 0.000 0.997 2255 E CA 1.782 58.113 56.400 -0.115 0.000 0.801 2255 E CB -0.004 29.652 29.700 -0.073 0.000 0.746 2255 E HN 0.293 nan 8.360 nan 0.000 0.450 2256 V N 0.954 120.811 119.914 -0.095 0.000 2.346 2256 V HA -0.138 3.982 4.120 0.001 0.000 0.244 2256 V C 2.548 178.598 176.094 -0.074 0.000 1.037 2256 V CA 1.610 63.869 62.300 -0.068 0.000 1.029 2256 V CB -0.779 31.033 31.823 -0.018 0.000 0.663 2256 V HN 0.325 nan 8.190 nan 0.000 0.454 2257 A N 0.923 123.693 122.820 -0.084 0.000 1.969 2257 A HA -0.160 4.161 4.320 0.001 0.000 0.218 2257 A C 2.501 179.797 177.584 -0.480 0.000 1.169 2257 A CA 1.796 53.795 52.037 -0.064 0.000 0.635 2257 A CB -0.711 18.313 19.000 0.040 0.000 0.810 2257 A HN 0.671 nan 8.150 nan 0.000 0.445 2258 S N 0.455 115.651 115.700 -0.840 0.000 2.420 2258 S HA -0.277 4.193 4.470 0.001 0.000 0.237 2258 S C 1.840 175.958 174.600 -0.804 0.000 1.023 2258 S CA 1.685 59.039 58.200 -1.411 0.000 0.991 2258 S CB -0.471 62.321 63.200 -0.680 0.000 0.792 2258 S HN 0.673 nan 8.310 nan 0.000 0.488 2259 K N 0.509 120.555 120.400 -0.590 0.000 2.211 2259 K HA -0.138 4.183 4.320 0.001 0.000 0.204 2259 K C 0.879 177.074 176.600 -0.676 0.000 1.047 2259 K CA 1.437 57.342 56.287 -0.636 0.000 0.935 2259 K CB -0.237 31.762 32.500 -0.835 0.000 0.728 2259 K HN 0.655 nan 8.250 nan 0.000 0.452 2260 Y N -0.873 119.310 120.300 -0.196 0.000 2.458 2260 Y HA 0.138 4.688 4.550 0.001 0.000 0.256 2260 Y C -0.277 175.664 175.900 0.068 0.000 1.159 2260 Y CA -1.027 57.036 58.100 -0.061 0.000 1.261 2260 Y CB 0.220 38.656 38.460 -0.039 0.000 1.119 2260 Y HN -0.137 nan 8.280 nan 0.000 0.524 2261 Y N 2.279 122.620 120.300 0.069 0.000 2.632 2261 Y HA 0.065 4.616 4.550 0.001 0.000 0.329 2261 Y C 0.676 176.594 175.900 0.030 0.000 1.174 2261 Y CA -1.012 57.114 58.100 0.044 0.000 1.469 2261 Y CB -0.184 38.288 38.460 0.021 0.000 1.242 2261 Y HN 0.135 nan 8.280 nan 0.000 0.540 2262 E N 0.792 121.101 120.200 0.182 0.000 2.398 2262 E HA 0.122 4.472 4.350 0.001 0.000 0.263 2262 E C -0.069 176.572 176.600 0.068 0.000 1.046 2262 E CA -0.027 56.432 56.400 0.098 0.000 0.908 2262 E CB 0.291 30.027 29.700 0.061 0.000 0.963 2262 E HN 0.435 nan 8.360 nan 0.000 0.431 2263 T N 3.696 118.278 114.554 0.047 0.000 2.834 2263 T HA 0.191 4.542 4.350 0.001 0.000 0.298 2263 T C 0.868 175.573 174.700 0.008 0.000 0.966 2263 T CA -0.136 61.982 62.100 0.030 0.000 1.141 2263 T CB -0.168 68.714 68.868 0.023 0.000 0.905 2263 T HN 0.540 nan 8.240 nan 0.000 0.535 2264 I N 0.000 120.568 120.570 -0.004 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 2264 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494