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 2e77_1_C DATA FIRST_RESID 2007 DATA SEQUENCE EYNAPSEIKY IDVVNTYDLE EEASKVVPHG GFNYIAGASG DEWTKRANDR DATA SEQUENCE AWKHKLLYPR LAQDVEAPDT STEILGHKIK APFIMAPIAA HGLAHTTKEA DATA SEQUENCE GTARAVSEFG TIMSISAYSG ATFEEISEGL NGGPRWFQIY MAKDDQQNRD DATA SEQUENCE ILDEAKSDGA TAIILTADST VSGNRDRDVK NKFVYPFGMX XXXXXXXXXX DATA SEQUENCE XXXXXXXIYG ASKQKISPRD IEEIAGHSGL PVFVKGIQHP EDADMAIKRG DATA SEQUENCE ASGIWVSNHG ARQLYEAPGS FDTLPAIAER VNKRVPIVFD SGVRRGEHVA DATA SEQUENCE KALASGADVV ALGRPVLFGL ALGGWQGAYS VLDYFQKDLT RVMQLTGSQN DATA SEQUENCE VEDLKGLDLF DNPYGYEY 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 2007 E HA 0.000 nan 4.350 nan 0.000 0.291 2007 E C 0.000 176.630 176.600 0.050 0.000 1.382 2007 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 2007 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 2008 Y N 1.889 122.144 120.300 -0.074 0.000 2.361 2008 Y HA 0.442 4.990 4.550 -0.002 0.000 0.328 2008 Y C -1.398 174.533 175.900 0.051 0.000 1.044 2008 Y CA -0.691 57.389 58.100 -0.033 0.000 1.085 2008 Y CB 1.462 39.842 38.460 -0.133 0.000 1.194 2008 Y HN 0.513 nan 8.280 nan 0.000 0.438 2009 N N 4.509 122.988 118.700 -0.368 0.000 2.936 2009 N HA 0.551 5.290 4.740 -0.002 0.000 0.243 2009 N C -0.631 174.730 175.510 -0.248 0.000 1.149 2009 N CA -0.312 52.620 53.050 -0.198 0.000 0.914 2009 N CB 1.118 39.522 38.487 -0.138 0.000 1.179 2009 N HN 0.643 nan 8.380 nan 0.000 0.502 2010 A N 1.912 124.714 122.820 -0.029 0.000 2.425 2010 A HA 0.389 4.708 4.320 -0.002 0.000 0.242 2010 A C -1.981 175.600 177.584 -0.005 0.000 1.077 2010 A CA -0.874 51.229 52.037 0.110 0.000 0.781 2010 A CB -0.083 19.114 19.000 0.328 0.000 1.020 2010 A HN 0.287 nan 8.150 nan 0.000 0.494 2011 P HA 0.117 nan 4.420 nan 0.000 0.269 2011 P C 0.478 177.594 177.300 -0.306 0.000 1.215 2011 P CA 0.431 63.502 63.100 -0.049 0.000 0.780 2011 P CB 0.784 32.532 31.700 0.080 0.000 0.898 2012 S N -1.295 114.263 115.700 -0.236 0.000 2.687 2012 S HA 0.111 4.579 4.470 -0.002 0.000 0.247 2012 S C 0.436 175.027 174.600 -0.014 0.000 1.050 2012 S CA -0.322 57.676 58.200 -0.338 0.000 1.063 2012 S CB -0.265 62.847 63.200 -0.146 0.000 1.039 2012 S HN 0.416 nan 8.310 nan 0.000 0.580 2013 E N 1.220 121.474 120.200 0.090 0.000 2.392 2013 E HA 0.332 4.681 4.350 -0.002 0.000 0.264 2013 E C -1.059 175.644 176.600 0.172 0.000 1.024 2013 E CA -0.043 56.422 56.400 0.108 0.000 0.903 2013 E CB 0.552 30.286 29.700 0.056 0.000 0.963 2013 E HN 0.454 nan 8.360 nan 0.000 0.432 2014 I N 4.876 125.476 120.570 0.049 0.000 2.382 2014 I HA 0.298 4.467 4.170 -0.002 0.000 0.286 2014 I C -0.703 175.292 176.117 -0.204 0.000 1.002 2014 I CA -0.447 60.799 61.300 -0.091 0.000 1.135 2014 I CB 1.094 39.050 38.000 -0.072 0.000 1.288 2014 I HN 0.413 nan 8.210 nan 0.000 0.448 2015 K N 4.400 124.618 120.400 -0.304 0.000 2.587 2015 K HA 0.487 4.805 4.320 -0.002 0.000 0.276 2015 K C -1.614 174.757 176.600 -0.382 0.000 0.956 2015 K CA -1.046 55.063 56.287 -0.297 0.000 0.857 2015 K CB 1.148 33.583 32.500 -0.108 0.000 1.431 2015 K HN 0.142 nan 8.250 nan 0.000 0.420 2016 Y N 1.584 121.788 120.300 -0.161 0.000 2.379 2016 Y HA 0.342 4.891 4.550 -0.002 0.000 0.337 2016 Y C 0.773 176.636 175.900 -0.062 0.000 1.238 2016 Y CA -0.302 57.732 58.100 -0.109 0.000 1.405 2016 Y CB 0.717 39.129 38.460 -0.079 0.000 1.310 2016 Y HN 0.521 nan 8.280 nan 0.000 0.569 2017 I N -1.269 119.377 120.570 0.126 0.000 2.828 2017 I HA 0.516 4.685 4.170 -0.002 0.000 0.302 2017 I C -1.314 174.832 176.117 0.049 0.000 1.101 2017 I CA -1.270 60.061 61.300 0.052 0.000 1.031 2017 I CB 2.299 40.304 38.000 0.009 0.000 1.231 2017 I HN 0.335 nan 8.210 nan 0.000 0.427 2018 D N 4.624 125.033 120.400 0.016 0.000 2.277 2018 D HA 0.347 4.986 4.640 -0.002 0.000 0.249 2018 D C -0.495 175.778 176.300 -0.046 0.000 1.134 2018 D CA -0.003 53.997 54.000 0.000 0.000 0.863 2018 D CB 2.468 43.265 40.800 -0.004 0.000 1.143 2018 D HN 0.284 nan 8.370 nan 0.000 0.458 2019 V N 3.530 123.403 119.914 -0.068 0.000 2.334 2019 V HA 0.062 4.181 4.120 -0.002 0.000 0.281 2019 V C 1.300 177.273 176.094 -0.201 0.000 1.016 2019 V CA -0.548 61.618 62.300 -0.222 0.000 0.832 2019 V CB 1.595 33.204 31.823 -0.357 0.000 0.999 2019 V HN 0.369 nan 8.190 nan 0.000 0.439 2020 V N 4.123 123.925 119.914 -0.187 0.000 2.599 2020 V HA 0.079 4.197 4.120 -0.002 0.000 0.245 2020 V C 0.669 176.676 176.094 -0.145 0.000 1.046 2020 V CA 1.442 63.685 62.300 -0.095 0.000 1.065 2020 V CB -0.435 31.354 31.823 -0.057 0.000 0.703 2020 V HN 1.080 nan 8.190 nan 0.000 0.464 2021 N N -2.368 116.132 118.700 -0.332 0.000 2.823 2021 N HA 0.169 4.907 4.740 -0.002 0.000 0.251 2021 N C 0.295 175.493 175.510 -0.519 0.000 1.392 2021 N CA 0.081 52.897 53.050 -0.390 0.000 0.864 2021 N CB 1.121 39.589 38.487 -0.033 0.000 1.481 2021 N HN -0.043 nan 8.380 nan 0.000 0.508 2022 T N -3.732 110.481 114.554 -0.568 0.000 3.023 2022 T HA -0.035 4.314 4.350 -0.002 0.000 0.266 2022 T C 0.939 175.503 174.700 -0.228 0.000 1.093 2022 T CA 0.814 62.646 62.100 -0.448 0.000 1.129 2022 T CB -0.703 67.889 68.868 -0.460 0.000 0.899 2022 T HN 0.496 nan 8.240 nan 0.000 0.491 2023 Y N 2.280 122.521 120.300 -0.100 0.000 2.181 2023 Y HA -0.047 4.502 4.550 -0.003 0.000 0.288 2023 Y C 2.370 178.231 175.900 -0.066 0.000 1.146 2023 Y CA 1.193 59.273 58.100 -0.033 0.000 1.164 2023 Y CB -0.472 37.976 38.460 -0.021 0.000 0.982 2023 Y HN 0.204 nan 8.280 nan 0.000 0.515 2024 D N -0.245 120.193 120.400 0.063 0.000 2.221 2024 D HA -0.136 4.502 4.640 -0.002 0.000 0.204 2024 D C 1.935 178.190 176.300 -0.075 0.000 0.982 2024 D CA 0.830 54.818 54.000 -0.020 0.000 0.857 2024 D CB -0.241 40.532 40.800 -0.044 0.000 0.934 2024 D HN 0.188 nan 8.370 nan 0.000 0.475 2025 L N 0.925 122.097 121.223 -0.084 0.000 2.191 2025 L HA -0.117 4.222 4.340 -0.002 0.000 0.212 2025 L C 2.188 178.892 176.870 -0.278 0.000 1.103 2025 L CA 1.249 56.036 54.840 -0.087 0.000 0.769 2025 L CB -0.828 41.245 42.059 0.023 0.000 0.908 2025 L HN 0.109 nan 8.230 nan 0.000 0.438 2026 E N -0.525 119.409 120.200 -0.443 0.000 2.017 2026 E HA -0.235 4.114 4.350 -0.002 0.000 0.193 2026 E C 2.107 178.472 176.600 -0.391 0.000 0.997 2026 E CA 1.161 57.041 56.400 -0.865 0.000 0.804 2026 E CB -0.056 29.379 29.700 -0.442 0.000 0.757 2026 E HN 0.367 nan 8.360 nan 0.000 0.448 2027 E N 0.438 120.506 120.200 -0.220 0.000 2.085 2027 E HA -0.246 4.102 4.350 -0.002 0.000 0.194 2027 E C 1.963 178.425 176.600 -0.231 0.000 0.994 2027 E CA 1.399 57.682 56.400 -0.195 0.000 0.801 2027 E CB -0.004 29.628 29.700 -0.113 0.000 0.743 2027 E HN 0.369 nan 8.360 nan 0.000 0.453 2028 E N -0.055 120.036 120.200 -0.182 0.000 2.051 2028 E HA -0.173 4.175 4.350 -0.002 0.000 0.192 2028 E C 2.023 178.533 176.600 -0.151 0.000 0.991 2028 E CA 1.069 57.386 56.400 -0.138 0.000 0.799 2028 E CB -0.141 29.504 29.700 -0.091 0.000 0.748 2028 E HN 0.260 nan 8.360 nan 0.000 0.449 2029 A N 1.289 124.015 122.820 -0.156 0.000 1.933 2029 A HA -0.221 4.098 4.320 -0.002 0.000 0.218 2029 A C 2.284 179.701 177.584 -0.279 0.000 1.175 2029 A CA 1.910 53.913 52.037 -0.055 0.000 0.628 2029 A CB -0.768 18.330 19.000 0.163 0.000 0.814 2029 A HN 0.347 nan 8.150 nan 0.000 0.444 2030 S N -0.126 115.100 115.700 -0.789 0.000 2.440 2030 S HA -0.167 4.301 4.470 -0.002 0.000 0.238 2030 S C 1.567 175.819 174.600 -0.580 0.000 1.010 2030 S CA 1.599 58.949 58.200 -1.417 0.000 0.972 2030 S CB -0.365 62.001 63.200 -1.390 0.000 0.774 2030 S HN 0.638 nan 8.310 nan 0.000 0.501 2031 K N 0.627 120.830 120.400 -0.329 0.000 2.426 2031 K HA 0.167 4.485 4.320 -0.002 0.000 0.193 2031 K C 1.490 178.024 176.600 -0.109 0.000 1.028 2031 K CA 0.864 57.042 56.287 -0.181 0.000 1.047 2031 K CB 0.412 32.831 32.500 -0.134 0.000 0.821 2031 K HN 0.552 nan 8.250 nan 0.000 0.513 2032 V N -3.473 116.388 119.914 -0.087 0.000 3.548 2032 V HA 0.209 4.328 4.120 -0.002 0.000 0.279 2032 V C 0.303 176.407 176.094 0.016 0.000 1.446 2032 V CA -0.526 61.760 62.300 -0.022 0.000 1.023 2032 V CB 0.623 32.451 31.823 0.009 0.000 0.820 2032 V HN -0.233 nan 8.190 nan 0.000 0.438 2033 V N 2.442 122.378 119.914 0.036 0.000 2.435 2033 V HA 0.512 4.630 4.120 -0.002 0.000 0.290 2033 V C -2.299 173.860 176.094 0.108 0.000 1.030 2033 V CA -1.945 60.439 62.300 0.141 0.000 0.881 2033 V CB 1.143 33.177 31.823 0.351 0.000 0.983 2033 V HN 0.253 nan 8.190 nan 0.000 0.445 2034 P HA -0.059 nan 4.420 nan 0.000 0.263 2034 P C 0.991 178.433 177.300 0.236 0.000 1.175 2034 P CA 0.399 63.539 63.100 0.068 0.000 0.761 2034 P CB 0.301 31.931 31.700 -0.117 0.000 0.794 2035 H N 3.241 122.394 119.070 0.138 0.000 2.265 2035 H HA -0.196 4.358 4.556 -0.002 0.000 0.293 2035 H C 1.963 177.445 175.328 0.257 0.000 1.089 2035 H CA 2.686 58.844 56.048 0.184 0.000 1.244 2035 H CB -0.649 29.185 29.762 0.119 0.000 1.355 2035 H HN 0.551 nan 8.280 nan 0.000 0.485 2036 G N -0.501 108.528 108.800 0.381 0.000 2.459 2036 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.217 2036 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.217 2036 G C 1.994 176.939 174.900 0.076 0.000 1.183 2036 G CA 1.012 46.336 45.100 0.373 0.000 0.776 2036 G HN 0.576 nan 8.290 nan 0.000 0.552 2037 G N 0.231 109.229 108.800 0.330 0.000 2.418 2037 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.217 2037 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.217 2037 G C 1.649 176.634 174.900 0.142 0.000 1.158 2037 G CA 0.896 46.118 45.100 0.203 0.000 0.771 2037 G HN 0.386 nan 8.290 nan 0.000 0.545 2038 F N 2.000 122.018 119.950 0.114 0.000 2.095 2038 F HA -0.136 4.390 4.527 -0.002 0.000 0.298 2038 F C 2.317 178.124 175.800 0.012 0.000 1.104 2038 F CA 2.061 60.114 58.000 0.088 0.000 1.232 2038 F CB -0.167 38.856 39.000 0.039 0.000 0.987 2038 F HN 0.165 nan 8.300 nan 0.000 0.475 2039 N N -1.587 117.034 118.700 -0.132 0.000 2.409 2039 N HA -0.145 4.593 4.740 -0.002 0.000 0.179 2039 N C 1.507 176.874 175.510 -0.239 0.000 1.032 2039 N CA 0.793 53.705 53.050 -0.230 0.000 0.898 2039 N CB -0.394 37.985 38.487 -0.181 0.000 0.971 2039 N HN 0.448 nan 8.380 nan 0.000 0.441 2040 Y N 1.230 121.269 120.300 -0.435 0.000 2.242 2040 Y HA -0.060 4.488 4.550 -0.002 0.000 0.291 2040 Y C 1.679 177.415 175.900 -0.272 0.000 1.137 2040 Y CA 1.330 59.164 58.100 -0.444 0.000 1.181 2040 Y CB -0.063 37.889 38.460 -0.846 0.000 0.989 2040 Y HN 0.014 nan 8.280 nan 0.000 0.527 2041 I N -0.142 120.333 120.570 -0.158 0.000 2.202 2041 I HA -0.253 3.915 4.170 -0.002 0.000 0.242 2041 I C 2.559 178.508 176.117 -0.280 0.000 1.091 2041 I CA 1.315 62.492 61.300 -0.204 0.000 1.368 2041 I CB -0.650 37.277 38.000 -0.123 0.000 1.058 2041 I HN 0.296 nan 8.210 nan 0.000 0.410 2042 A N 0.576 123.182 122.820 -0.357 0.000 2.021 2042 A HA 0.208 4.526 4.320 -0.002 0.000 0.216 2042 A C 1.531 179.024 177.584 -0.151 0.000 1.163 2042 A CA 0.853 52.745 52.037 -0.241 0.000 0.676 2042 A CB -0.934 17.758 19.000 -0.514 0.000 0.818 2042 A HN 0.392 nan 8.150 nan 0.000 0.453 2043 G N -1.634 107.053 108.800 -0.188 0.000 2.562 2043 G HA2 0.573 4.531 3.960 -0.002 0.000 0.275 2043 G HA3 0.573 4.531 3.960 -0.002 0.000 0.275 2043 G C -0.187 174.648 174.900 -0.109 0.000 1.196 2043 G CA 0.283 45.311 45.100 -0.120 0.000 0.908 2043 G HN 0.974 nan 8.290 nan 0.000 0.524 2044 A N -0.645 122.140 122.820 -0.059 0.000 2.533 2044 A HA 0.813 5.132 4.320 -0.002 0.000 0.293 2044 A C 0.051 177.625 177.584 -0.017 0.000 1.228 2044 A CA -0.492 51.526 52.037 -0.032 0.000 0.689 2044 A CB 0.670 19.680 19.000 0.018 0.000 1.303 2044 A HN 0.923 nan 8.150 nan 0.000 0.444 2045 S N -0.133 115.582 115.700 0.025 0.000 2.592 2045 S HA 0.522 4.991 4.470 -0.002 0.000 0.271 2045 S C 1.123 175.694 174.600 -0.049 0.000 1.326 2045 S CA 0.463 58.669 58.200 0.009 0.000 1.024 2045 S CB 0.738 63.979 63.200 0.069 0.000 0.921 2045 S HN 2.370 nan 8.310 nan 0.000 0.527 2046 G N 2.836 111.476 108.800 -0.266 0.000 2.634 2046 G HA2 -0.341 3.617 3.960 -0.002 0.000 0.309 2046 G HA3 -0.341 3.617 3.960 -0.002 0.000 0.309 2046 G C 0.141 174.885 174.900 -0.260 0.000 1.265 2046 G CA 0.663 45.434 45.100 -0.547 0.000 0.998 2046 G HN 0.889 nan 8.290 nan 0.000 0.551 2047 D N 1.196 121.466 120.400 -0.216 0.000 2.336 2047 D HA 0.224 4.863 4.640 -0.002 0.000 0.228 2047 D C 0.897 177.292 176.300 0.157 0.000 1.120 2047 D CA 0.848 54.861 54.000 0.021 0.000 0.839 2047 D CB -0.365 40.475 40.800 0.067 0.000 0.932 2047 D HN 0.935 nan 8.370 nan 0.000 0.509 2048 E N -2.169 118.155 120.200 0.207 0.000 3.070 2048 E HA -0.267 4.081 4.350 -0.002 0.000 0.285 2048 E C 0.143 176.906 176.600 0.271 0.000 0.972 2048 E CA 0.540 57.069 56.400 0.215 0.000 0.915 2048 E CB -2.224 27.536 29.700 0.101 0.000 1.466 2048 E HN 0.575 nan 8.360 nan 0.000 0.432 2049 W N 1.128 122.581 121.300 0.255 0.000 2.363 2049 W HA -0.165 4.494 4.660 -0.002 0.000 0.296 2049 W C 2.302 178.846 176.519 0.043 0.000 1.212 2049 W CA 2.181 59.606 57.345 0.133 0.000 1.260 2049 W CB -0.082 29.456 29.460 0.130 0.000 1.131 2049 W HN 0.049 nan 8.180 nan 0.000 0.530 2050 T N 0.299 115.021 114.554 0.281 0.000 2.904 2050 T HA -0.202 4.146 4.350 -0.002 0.000 0.267 2050 T C 1.740 176.412 174.700 -0.046 0.000 1.059 2050 T CA 1.582 63.717 62.100 0.057 0.000 1.137 2050 T CB -0.292 68.651 68.868 0.124 0.000 0.879 2050 T HN 0.167 nan 8.240 nan 0.000 0.467 2051 K N 1.137 121.547 120.400 0.017 0.000 2.057 2051 K HA -0.099 4.220 4.320 -0.002 0.000 0.207 2051 K C 2.487 179.041 176.600 -0.076 0.000 1.049 2051 K CA 1.176 57.457 56.287 -0.009 0.000 0.931 2051 K CB -0.073 32.444 32.500 0.028 0.000 0.714 2051 K HN 0.136 nan 8.250 nan 0.000 0.440 2052 R N 0.065 120.473 120.500 -0.152 0.000 2.096 2052 R HA -0.108 4.231 4.340 -0.002 0.000 0.235 2052 R C 2.090 178.167 176.300 -0.372 0.000 1.127 2052 R CA 1.307 57.258 56.100 -0.249 0.000 0.968 2052 R CB -0.269 29.843 30.300 -0.313 0.000 0.861 2052 R HN 0.284 nan 8.270 nan 0.000 0.440 2053 A N 1.216 123.720 122.820 -0.526 0.000 1.933 2053 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 2053 A C 1.725 179.132 177.584 -0.294 0.000 1.175 2053 A CA 1.661 53.385 52.037 -0.522 0.000 0.628 2053 A CB -0.583 18.019 19.000 -0.662 0.000 0.814 2053 A HN 0.402 nan 8.150 nan 0.000 0.444 2054 N N 0.130 118.717 118.700 -0.188 0.000 2.149 2054 N HA -0.162 4.577 4.740 -0.002 0.000 0.188 2054 N C 1.433 176.870 175.510 -0.121 0.000 1.019 2054 N CA 1.773 54.753 53.050 -0.117 0.000 0.857 2054 N CB -0.458 38.025 38.487 -0.007 0.000 0.997 2054 N HN 0.660 nan 8.380 nan 0.000 0.426 2055 D N 0.165 120.545 120.400 -0.034 0.000 2.137 2055 D HA 0.051 4.690 4.640 -0.002 0.000 0.202 2055 D C 1.777 178.095 176.300 0.030 0.000 0.970 2055 D CA 0.793 54.868 54.000 0.125 0.000 0.837 2055 D CB 0.216 41.099 40.800 0.138 0.000 0.981 2055 D HN 0.107 nan 8.370 nan 0.000 0.475 2056 R N -0.181 120.217 120.500 -0.171 0.000 2.193 2056 R HA 0.186 4.524 4.340 -0.002 0.000 0.213 2056 R C 2.167 178.281 176.300 -0.310 0.000 1.055 2056 R CA 0.649 56.651 56.100 -0.163 0.000 0.995 2056 R CB -0.038 30.104 30.300 -0.264 0.000 0.893 2056 R HN 0.107 nan 8.270 nan 0.000 0.459 2057 A N 0.543 123.047 122.820 -0.527 0.000 2.032 2057 A HA -0.184 4.134 4.320 -0.002 0.000 0.221 2057 A C 1.402 178.678 177.584 -0.514 0.000 1.165 2057 A CA 1.063 52.607 52.037 -0.822 0.000 0.645 2057 A CB -0.798 17.921 19.000 -0.468 0.000 0.807 2057 A HN 0.474 nan 8.150 nan 0.000 0.453 2058 W N -0.518 120.650 121.300 -0.221 0.000 2.421 2058 W HA -0.039 4.620 4.660 -0.002 0.000 0.270 2058 W C 1.864 178.367 176.519 -0.027 0.000 1.233 2058 W CA 1.120 58.306 57.345 -0.265 0.000 1.226 2058 W CB 0.051 29.223 29.460 -0.480 0.000 1.121 2058 W HN 0.096 nan 8.180 nan 0.000 0.579 2059 K N -0.702 119.813 120.400 0.191 0.000 2.459 2059 K HA 0.009 4.328 4.320 -0.002 0.000 0.193 2059 K C 1.168 177.991 176.600 0.373 0.000 1.030 2059 K CA 0.713 57.166 56.287 0.276 0.000 1.026 2059 K CB -0.426 32.262 32.500 0.314 0.000 0.809 2059 K HN 0.373 nan 8.250 nan 0.000 0.504 2060 H N -0.426 118.802 119.070 0.265 0.000 2.462 2060 H HA 0.074 4.628 4.556 -0.002 0.000 0.292 2060 H C -0.058 175.408 175.328 0.230 0.000 1.049 2060 H CA 0.466 56.642 56.048 0.214 0.000 1.334 2060 H CB 0.472 30.314 29.762 0.134 0.000 1.404 2060 H HN -0.208 nan 8.280 nan 0.000 0.544 2061 K N 1.508 122.168 120.400 0.433 0.000 2.502 2061 K HA 0.371 4.690 4.320 -0.002 0.000 0.254 2061 K C -1.056 175.738 176.600 0.323 0.000 0.947 2061 K CA -0.216 56.291 56.287 0.367 0.000 0.834 2061 K CB 2.598 35.368 32.500 0.451 0.000 1.112 2061 K HN 0.078 nan 8.250 nan 0.000 0.427 2062 L N 3.656 125.045 121.223 0.276 0.000 2.334 2062 L HA 0.516 4.854 4.340 -0.002 0.000 0.276 2062 L C 0.145 177.044 176.870 0.049 0.000 1.014 2062 L CA -1.196 53.741 54.840 0.161 0.000 0.815 2062 L CB 1.242 43.379 42.059 0.130 0.000 1.268 2062 L HN 0.316 nan 8.230 nan 0.000 0.428 2063 L N 1.999 123.234 121.223 0.020 0.000 2.417 2063 L HA 0.231 4.569 4.340 -0.002 0.000 0.268 2063 L C -0.794 176.032 176.870 -0.073 0.000 1.158 2063 L CA -0.129 54.725 54.840 0.024 0.000 0.819 2063 L CB 0.228 42.317 42.059 0.050 0.000 1.112 2063 L HN 0.362 nan 8.230 nan 0.000 0.458 2064 Y N 2.415 122.761 120.300 0.076 0.000 2.308 2064 Y HA 0.309 4.857 4.550 -0.003 0.000 0.329 2064 Y C -1.735 174.178 175.900 0.022 0.000 1.111 2064 Y CA -2.182 55.944 58.100 0.044 0.000 1.179 2064 Y CB 0.515 39.016 38.460 0.068 0.000 1.201 2064 Y HN 0.392 nan 8.280 nan 0.000 0.483 2065 P HA 0.263 nan 4.420 nan 0.000 0.275 2065 P C -0.765 176.600 177.300 0.108 0.000 1.228 2065 P CA -0.390 62.769 63.100 0.098 0.000 0.786 2065 P CB 1.050 32.781 31.700 0.052 0.000 0.927 2066 R N 1.815 122.355 120.500 0.067 0.000 2.628 2066 R HA 0.608 4.946 4.340 -0.002 0.000 0.288 2066 R C -0.609 175.706 176.300 0.024 0.000 0.980 2066 R CA -1.012 55.113 56.100 0.041 0.000 0.891 2066 R CB 1.328 31.648 30.300 0.034 0.000 1.188 2066 R HN 0.374 nan 8.270 nan 0.000 0.450 2067 L N 0.676 121.908 121.223 0.015 0.000 2.319 2067 L HA 0.572 4.911 4.340 -0.002 0.000 0.267 2067 L C 0.572 177.445 176.870 0.005 0.000 1.011 2067 L CA -0.380 54.466 54.840 0.010 0.000 0.818 2067 L CB 1.368 43.433 42.059 0.009 0.000 1.316 2067 L HN 0.868 nan 8.230 nan 0.000 0.432 2068 A N 1.373 124.196 122.820 0.004 0.000 2.745 2068 A HA -0.196 4.123 4.320 -0.002 0.000 0.296 2068 A C 1.111 178.696 177.584 0.002 0.000 1.500 2068 A CA 0.767 52.805 52.037 0.002 0.000 0.766 2068 A CB -1.523 17.478 19.000 0.001 0.000 1.030 2068 A HN 0.697 nan 8.150 nan 0.000 0.489 2069 Q N -0.287 119.515 119.800 0.004 0.000 2.360 2069 Q HA 0.074 4.413 4.340 -0.002 0.000 0.202 2069 Q C 0.477 176.479 176.000 0.004 0.000 0.915 2069 Q CA 0.787 56.593 55.803 0.004 0.000 0.943 2069 Q CB 0.090 28.833 28.738 0.008 0.000 1.064 2069 Q HN 0.858 nan 8.270 nan 0.000 0.511 2070 D N -0.107 120.295 120.400 0.002 0.000 2.699 2070 D HA -0.142 4.497 4.640 -0.002 0.000 0.239 2070 D C -1.340 174.961 176.300 0.002 0.000 1.136 2070 D CA 0.278 54.279 54.000 0.002 0.000 0.668 2070 D CB -0.993 39.808 40.800 0.002 0.000 1.060 2070 D HN -0.036 nan 8.370 nan 0.000 0.429 2071 V N 0.605 120.521 119.914 0.002 0.000 2.604 2071 V HA 0.508 4.626 4.120 -0.002 0.000 0.305 2071 V C 1.039 177.133 176.094 0.000 0.000 1.043 2071 V CA -0.134 62.168 62.300 0.002 0.000 0.888 2071 V CB 2.014 33.840 31.823 0.005 0.000 0.995 2071 V HN 0.258 nan 8.190 nan 0.000 0.429 2072 E N 3.626 123.826 120.200 -0.001 0.000 2.756 2072 E HA 0.496 4.845 4.350 -0.002 0.000 0.192 2072 E C 0.576 177.174 176.600 -0.003 0.000 1.022 2072 E CA 0.607 57.005 56.400 -0.002 0.000 1.224 2072 E CB 0.811 30.509 29.700 -0.002 0.000 1.252 2072 E HN 0.735 nan 8.360 nan 0.000 0.494 2073 A N 2.349 125.167 122.820 -0.003 0.000 2.842 2073 A HA 0.486 4.804 4.320 -0.002 0.000 0.339 2073 A C -2.641 174.941 177.584 -0.004 0.000 1.177 2073 A CA -1.410 50.624 52.037 -0.005 0.000 0.797 2073 A CB 0.320 19.317 19.000 -0.005 0.000 1.094 2073 A HN 0.097 nan 8.150 nan 0.000 0.474 2074 P HA 0.134 nan 4.420 nan 0.000 0.267 2074 P C -0.677 176.620 177.300 -0.004 0.000 1.200 2074 P CA 0.169 63.268 63.100 -0.002 0.000 0.772 2074 P CB 0.674 32.374 31.700 0.000 0.000 0.855 2075 D N 0.917 121.313 120.400 -0.006 0.000 2.329 2075 D HA 0.104 4.742 4.640 -0.002 0.000 0.232 2075 D C 0.892 177.184 176.300 -0.014 0.000 1.088 2075 D CA -0.153 53.840 54.000 -0.013 0.000 0.835 2075 D CB 0.802 41.594 40.800 -0.014 0.000 1.078 2075 D HN 0.302 nan 8.370 nan 0.000 0.495 2076 T N -0.282 114.260 114.554 -0.020 0.000 3.081 2076 T HA 0.018 4.366 4.350 -0.002 0.000 0.255 2076 T C 1.076 175.741 174.700 -0.058 0.000 1.113 2076 T CA -0.130 61.955 62.100 -0.025 0.000 1.082 2076 T CB -0.169 68.696 68.868 -0.005 0.000 0.939 2076 T HN 0.301 nan 8.240 nan 0.000 0.506 2077 S N 0.729 116.392 115.700 -0.062 0.000 2.573 2077 S HA 0.461 4.930 4.470 -0.002 0.000 0.277 2077 S C 0.054 174.623 174.600 -0.052 0.000 1.346 2077 S CA -0.342 57.813 58.200 -0.075 0.000 1.034 2077 S CB 0.961 64.121 63.200 -0.068 0.000 0.879 2077 S HN 0.490 nan 8.310 nan 0.000 0.528 2078 T N 0.094 114.616 114.554 -0.053 0.000 2.671 2078 T HA 0.511 4.860 4.350 -0.002 0.000 0.300 2078 T C -2.127 172.572 174.700 -0.002 0.000 1.238 2078 T CA -0.715 61.371 62.100 -0.023 0.000 1.020 2078 T CB 1.635 70.490 68.868 -0.021 0.000 1.503 2078 T HN 0.898 nan 8.240 nan 0.000 0.497 2079 E N 0.732 120.948 120.200 0.027 0.000 2.292 2079 E HA 0.672 5.020 4.350 -0.002 0.000 0.272 2079 E C -1.730 174.933 176.600 0.106 0.000 0.881 2079 E CA -0.754 55.683 56.400 0.063 0.000 0.754 2079 E CB 1.894 31.626 29.700 0.052 0.000 1.201 2079 E HN 0.584 nan 8.360 nan 0.000 0.425 2080 I N 5.457 126.134 120.570 0.178 0.000 2.548 2080 I HA 0.246 4.415 4.170 -0.002 0.000 0.287 2080 I C -0.639 175.715 176.117 0.394 0.000 1.103 2080 I CA -0.639 60.821 61.300 0.266 0.000 1.049 2080 I CB 0.883 39.056 38.000 0.287 0.000 1.232 2080 I HN 0.846 nan 8.210 nan 0.000 0.429 2081 L N 8.283 129.685 121.223 0.298 0.000 3.941 2081 L HA -0.288 4.050 4.340 -0.002 0.000 0.455 2081 L C 1.159 178.138 176.870 0.182 0.000 1.179 2081 L CA 0.973 55.956 54.840 0.240 0.000 0.782 2081 L CB -1.998 40.236 42.059 0.291 0.000 1.679 2081 L HN 1.138 nan 8.230 nan 0.000 0.871 2082 G N -2.018 106.839 108.800 0.095 0.000 2.234 2082 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.235 2082 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.235 2082 G C 0.066 174.908 174.900 -0.098 0.000 0.997 2082 G CA 0.296 45.373 45.100 -0.039 0.000 0.623 2082 G HN 0.639 nan 8.290 nan 0.000 0.514 2083 H N 1.240 120.391 119.070 0.136 0.000 2.562 2083 H HA 0.562 5.116 4.556 -0.002 0.000 0.314 2083 H C 0.286 175.637 175.328 0.038 0.000 1.079 2083 H CA -0.056 56.047 56.048 0.090 0.000 1.349 2083 H CB 0.926 30.747 29.762 0.100 0.000 1.432 2083 H HN 0.163 nan 8.280 nan 0.000 0.479 2084 K N 4.717 125.183 120.400 0.109 0.000 2.284 2084 K HA 0.261 4.579 4.320 -0.002 0.000 0.287 2084 K C -0.151 176.456 176.600 0.011 0.000 1.081 2084 K CA -0.281 56.031 56.287 0.042 0.000 0.910 2084 K CB 0.515 33.024 32.500 0.014 0.000 1.088 2084 K HN 0.557 nan 8.250 nan 0.000 0.478 2085 I N -0.887 119.666 120.570 -0.027 0.000 2.693 2085 I HA 0.332 4.501 4.170 -0.002 0.000 0.303 2085 I C 0.379 176.412 176.117 -0.139 0.000 1.025 2085 I CA -0.985 60.263 61.300 -0.086 0.000 1.086 2085 I CB 2.075 40.010 38.000 -0.108 0.000 1.268 2085 I HN 0.398 nan 8.210 nan 0.000 0.440 2086 K N 2.520 122.792 120.400 -0.213 0.000 2.366 2086 K HA 0.325 4.644 4.320 -0.002 0.000 0.198 2086 K C 0.303 176.763 176.600 -0.233 0.000 1.044 2086 K CA 0.759 56.880 56.287 -0.277 0.000 0.973 2086 K CB 0.230 32.406 32.500 -0.540 0.000 0.767 2086 K HN 0.805 nan 8.250 nan 0.000 0.475 2087 A N 0.668 123.315 122.820 -0.289 0.000 2.612 2087 A HA 0.357 4.676 4.320 -0.002 0.000 0.293 2087 A C -2.736 174.536 177.584 -0.521 0.000 1.075 2087 A CA -1.128 50.658 52.037 -0.419 0.000 0.680 2087 A CB 1.180 19.801 19.000 -0.631 0.000 1.279 2087 A HN -0.153 nan 8.150 nan 0.000 0.411 2088 P HA 0.326 nan 4.420 nan 0.000 0.226 2088 P C -0.974 176.273 177.300 -0.088 0.000 1.758 2088 P CA 0.330 63.333 63.100 -0.161 0.000 0.896 2088 P CB -1.296 30.380 31.700 -0.040 0.000 1.784 2089 F N 0.020 119.914 119.950 -0.094 0.000 2.588 2089 F HA 0.761 5.286 4.527 -0.003 0.000 0.310 2089 F C -0.272 175.411 175.800 -0.195 0.000 1.082 2089 F CA -1.944 55.943 58.000 -0.187 0.000 0.929 2089 F CB 1.345 40.165 39.000 -0.299 0.000 1.254 2089 F HN -0.164 nan 8.300 nan 0.000 0.455 2090 I N 0.091 120.654 120.570 -0.012 0.000 3.108 2090 I HA 0.693 4.862 4.170 -0.002 0.000 0.312 2090 I C -1.014 175.062 176.117 -0.068 0.000 1.095 2090 I CA -1.496 59.736 61.300 -0.113 0.000 1.000 2090 I CB 2.132 39.944 38.000 -0.314 0.000 1.229 2090 I HN 0.761 nan 8.210 nan 0.000 0.454 2091 M N 3.467 123.028 119.600 -0.066 0.000 2.162 2091 M HA 0.585 5.063 4.480 -0.002 0.000 0.356 2091 M C -0.075 176.252 176.300 0.046 0.000 1.303 2091 M CA 0.061 55.345 55.300 -0.025 0.000 1.116 2091 M CB 0.785 33.382 32.600 -0.004 0.000 1.632 2091 M HN 0.791 nan 8.290 nan 0.000 0.469 2092 A N 7.552 130.411 122.820 0.064 0.000 2.407 2092 A HA 0.585 4.904 4.320 -0.002 0.000 0.248 2092 A C -2.374 175.219 177.584 0.015 0.000 1.082 2092 A CA -1.212 50.910 52.037 0.143 0.000 0.785 2092 A CB -0.727 18.326 19.000 0.088 0.000 1.020 2092 A HN 0.692 nan 8.150 nan 0.000 0.489 2093 P HA 0.347 nan 4.420 nan 0.000 0.276 2093 P C -0.975 176.254 177.300 -0.118 0.000 1.264 2093 P CA 0.671 63.689 63.100 -0.137 0.000 0.769 2093 P CB 0.267 31.789 31.700 -0.295 0.000 0.840 2094 I N 2.497 123.082 120.570 0.025 0.000 2.548 2094 I HA 0.424 4.592 4.170 -0.002 0.000 0.287 2094 I C -0.220 176.029 176.117 0.220 0.000 1.103 2094 I CA -1.022 60.305 61.300 0.045 0.000 1.049 2094 I CB 2.329 40.281 38.000 -0.080 0.000 1.232 2094 I HN 0.246 nan 8.210 nan 0.000 0.429 2095 A N 5.050 127.971 122.820 0.168 0.000 2.274 2095 A HA 0.837 5.156 4.320 -0.002 0.000 0.309 2095 A C 0.589 178.330 177.584 0.261 0.000 1.226 2095 A CA 0.423 52.599 52.037 0.232 0.000 0.853 2095 A CB 0.903 20.043 19.000 0.233 0.000 1.146 2095 A HN 1.559 nan 8.150 nan 0.000 0.518 2096 A N 2.178 125.218 122.820 0.366 0.000 5.016 2096 A HA -0.072 4.247 4.320 -0.002 0.000 0.118 2096 A C 0.677 178.492 177.584 0.385 0.000 1.265 2096 A CA 0.465 52.772 52.037 0.450 0.000 1.241 2096 A CB -2.838 16.384 19.000 0.369 0.000 0.685 2096 A HN 1.020 nan 8.150 nan 0.000 0.606 2097 H N -0.293 118.865 119.070 0.146 0.000 2.489 2097 H HA -0.071 4.484 4.556 -0.002 0.000 0.293 2097 H C 2.323 177.724 175.328 0.121 0.000 1.066 2097 H CA 1.136 57.251 56.048 0.111 0.000 1.305 2097 H CB 0.196 29.993 29.762 0.059 0.000 1.386 2097 H HN 0.694 nan 8.280 nan 0.000 0.551 2098 G N 1.017 109.923 108.800 0.175 0.000 2.470 2098 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.220 2098 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.220 2098 G C 1.730 176.765 174.900 0.226 0.000 1.121 2098 G CA 0.148 45.203 45.100 -0.075 0.000 0.766 2098 G HN 0.269 nan 8.290 nan 0.000 0.553 2099 L N 0.149 121.569 121.223 0.328 0.000 2.141 2099 L HA 0.008 4.347 4.340 -0.002 0.000 0.209 2099 L C 3.207 180.380 176.870 0.504 0.000 1.094 2099 L CA 0.968 56.028 54.840 0.367 0.000 0.763 2099 L CB -0.243 42.012 42.059 0.326 0.000 0.908 2099 L HN 0.325 nan 8.230 nan 0.000 0.437 2100 A N -1.853 121.189 122.820 0.370 0.000 1.943 2100 A HA -0.006 4.312 4.320 -0.002 0.000 0.213 2100 A C 0.574 178.384 177.584 0.377 0.000 1.181 2100 A CA 0.650 52.896 52.037 0.348 0.000 0.653 2100 A CB -0.060 19.087 19.000 0.246 0.000 0.833 2100 A HN 0.476 nan 8.150 nan 0.000 0.451 2101 H N -2.813 116.387 119.070 0.216 0.000 3.079 2101 H HA 0.317 4.871 4.556 -0.002 0.000 0.356 2101 H C 1.137 176.541 175.328 0.127 0.000 1.221 2101 H CA 0.206 56.352 56.048 0.163 0.000 1.185 2101 H CB 1.222 31.063 29.762 0.132 0.000 1.882 2101 H HN 0.068 nan 8.280 nan 0.000 0.543 2102 T N -0.768 113.656 114.554 -0.216 0.000 2.849 2102 T HA -0.209 4.139 4.350 -0.002 0.000 0.270 2102 T C 1.682 176.412 174.700 0.050 0.000 1.066 2102 T CA 1.756 63.817 62.100 -0.065 0.000 1.130 2102 T CB -0.629 68.169 68.868 -0.115 0.000 0.864 2102 T HN 0.694 nan 8.240 nan 0.000 0.481 2103 T N -1.149 113.567 114.554 0.269 0.000 3.118 2103 T HA 0.214 4.563 4.350 -0.002 0.000 0.260 2103 T C 0.829 175.595 174.700 0.111 0.000 1.139 2103 T CA -0.016 62.213 62.100 0.216 0.000 1.085 2103 T CB -0.446 68.602 68.868 0.299 0.000 0.934 2103 T HN 0.641 nan 8.240 nan 0.000 0.518 2104 K N 0.463 120.933 120.400 0.116 0.000 2.128 2104 K HA -0.281 4.038 4.320 -0.002 0.000 0.209 2104 K C 0.904 177.516 176.600 0.020 0.000 1.577 2104 K CA 1.541 57.855 56.287 0.045 0.000 0.659 2104 K CB -0.976 31.461 32.500 -0.105 0.000 0.684 2104 K HN 0.235 nan 8.250 nan 0.000 0.906 2105 E N 0.300 120.410 120.200 -0.151 0.000 2.265 2105 E HA -0.128 4.220 4.350 -0.002 0.000 0.196 2105 E C 1.813 178.284 176.600 -0.216 0.000 0.996 2105 E CA 1.441 57.588 56.400 -0.421 0.000 0.832 2105 E CB -0.105 29.312 29.700 -0.472 0.000 0.756 2105 E HN 0.500 nan 8.360 nan 0.000 0.491 2106 A N 0.491 123.239 122.820 -0.120 0.000 1.898 2106 A HA -0.021 4.298 4.320 -0.002 0.000 0.216 2106 A C 2.427 179.986 177.584 -0.042 0.000 1.181 2106 A CA 1.500 53.479 52.037 -0.097 0.000 0.620 2106 A CB -1.100 17.847 19.000 -0.088 0.000 0.819 2106 A HN 0.361 nan 8.150 nan 0.000 0.442 2107 G N -0.892 107.926 108.800 0.030 0.000 2.446 2107 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.217 2107 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.217 2107 G C 1.586 176.564 174.900 0.129 0.000 1.168 2107 G CA 1.741 46.902 45.100 0.102 0.000 0.771 2107 G HN 0.430 nan 8.290 nan 0.000 0.551 2108 T N 1.554 116.174 114.554 0.108 0.000 2.770 2108 T HA 0.109 4.457 4.350 -0.002 0.000 0.263 2108 T C 2.857 177.607 174.700 0.085 0.000 1.039 2108 T CA 1.421 63.606 62.100 0.142 0.000 1.142 2108 T CB -0.490 68.533 68.868 0.259 0.000 0.868 2108 T HN 0.380 nan 8.240 nan 0.000 0.435 2109 A N 1.980 124.799 122.820 -0.001 0.000 1.915 2109 A HA -0.278 4.040 4.320 -0.002 0.000 0.220 2109 A C 2.250 179.826 177.584 -0.014 0.000 1.198 2109 A CA 2.489 54.509 52.037 -0.028 0.000 0.647 2109 A CB -0.715 18.232 19.000 -0.089 0.000 0.825 2109 A HN 0.475 nan 8.150 nan 0.000 0.456 2110 R N -0.552 119.922 120.500 -0.043 0.000 2.081 2110 R HA -0.039 4.300 4.340 -0.002 0.000 0.235 2110 R C 2.280 178.611 176.300 0.052 0.000 1.131 2110 R CA 1.582 57.599 56.100 -0.137 0.000 0.960 2110 R CB -0.480 29.572 30.300 -0.413 0.000 0.856 2110 R HN 0.440 nan 8.270 nan 0.000 0.436 2111 A N 0.180 123.174 122.820 0.290 0.000 1.877 2111 A HA -0.110 4.208 4.320 -0.002 0.000 0.216 2111 A C 2.257 180.099 177.584 0.431 0.000 1.186 2111 A CA 1.725 54.075 52.037 0.522 0.000 0.620 2111 A CB -0.639 18.622 19.000 0.435 0.000 0.822 2111 A HN 0.227 nan 8.150 nan 0.000 0.443 2112 V N -0.358 119.708 119.914 0.253 0.000 2.407 2112 V HA -0.188 3.930 4.120 -0.002 0.000 0.248 2112 V C 2.746 178.968 176.094 0.214 0.000 1.055 2112 V CA 2.245 64.672 62.300 0.212 0.000 1.049 2112 V CB -0.625 31.257 31.823 0.098 0.000 0.662 2112 V HN 0.548 nan 8.190 nan 0.000 0.455 2113 S N -0.665 115.119 115.700 0.139 0.000 2.362 2113 S HA -0.121 4.348 4.470 -0.002 0.000 0.221 2113 S C 1.941 176.612 174.600 0.119 0.000 1.032 2113 S CA 1.005 59.254 58.200 0.082 0.000 0.973 2113 S CB -0.191 63.010 63.200 0.002 0.000 0.849 2113 S HN 0.644 nan 8.310 nan 0.000 0.465 2114 E N 0.337 120.638 120.200 0.169 0.000 2.153 2114 E HA -0.132 4.216 4.350 -0.002 0.000 0.194 2114 E C 1.732 178.567 176.600 0.393 0.000 0.988 2114 E CA 0.801 57.331 56.400 0.217 0.000 0.811 2114 E CB -0.236 29.594 29.700 0.218 0.000 0.746 2114 E HN 0.560 nan 8.360 nan 0.000 0.466 2115 F N 0.951 121.129 119.950 0.380 0.000 2.128 2115 F HA 0.072 4.597 4.527 -0.003 0.000 0.295 2115 F C 1.312 177.189 175.800 0.128 0.000 1.100 2115 F CA 1.810 59.986 58.000 0.293 0.000 1.260 2115 F CB 0.263 39.342 39.000 0.131 0.000 1.009 2115 F HN 0.092 nan 8.300 nan 0.000 0.476 2116 G N 0.922 109.761 108.800 0.065 0.000 2.327 2116 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.159 2116 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.159 2116 G C 0.034 174.911 174.900 -0.040 0.000 1.056 2116 G CA 0.146 45.192 45.100 -0.090 0.000 0.751 2116 G HN 0.667 nan 8.290 nan 0.000 0.488 2117 T N -0.949 113.674 114.554 0.116 0.000 2.669 2117 T HA 0.741 5.090 4.350 -0.002 0.000 0.283 2117 T C 0.022 174.677 174.700 -0.075 0.000 1.019 2117 T CA -0.619 61.492 62.100 0.018 0.000 1.039 2117 T CB 1.120 70.028 68.868 0.066 0.000 1.374 2117 T HN 0.512 nan 8.240 nan 0.000 0.523 2118 I N 2.395 122.825 120.570 -0.232 0.000 2.395 2118 I HA 0.370 4.538 4.170 -0.002 0.000 0.289 2118 I C 0.053 176.001 176.117 -0.283 0.000 1.023 2118 I CA -0.486 60.570 61.300 -0.406 0.000 1.350 2118 I CB 1.331 38.795 38.000 -0.893 0.000 1.409 2118 I HN 0.533 nan 8.210 nan 0.000 0.507 2119 M N 5.973 125.449 119.600 -0.206 0.000 2.157 2119 M HA 0.289 4.768 4.480 -0.002 0.000 0.354 2119 M C -0.572 175.665 176.300 -0.106 0.000 1.170 2119 M CA 0.386 55.620 55.300 -0.110 0.000 1.060 2119 M CB 0.982 33.551 32.600 -0.052 0.000 1.615 2119 M HN 0.426 nan 8.290 nan 0.000 0.460 2120 S N 6.066 121.736 115.700 -0.051 0.000 2.457 2120 S HA 0.605 5.074 4.470 -0.002 0.000 0.289 2120 S C -0.389 174.162 174.600 -0.081 0.000 1.163 2120 S CA -0.569 57.638 58.200 0.011 0.000 1.078 2120 S CB 0.199 63.456 63.200 0.095 0.000 0.987 2120 S HN 0.686 nan 8.310 nan 0.000 0.482 2121 I N 2.445 122.895 120.570 -0.199 0.000 2.339 2121 I HA 0.254 4.422 4.170 -0.002 0.000 0.290 2121 I C 0.508 176.377 176.117 -0.415 0.000 0.994 2121 I CA -0.308 60.761 61.300 -0.384 0.000 1.191 2121 I CB 1.718 39.305 38.000 -0.689 0.000 1.343 2121 I HN 0.479 nan 8.210 nan 0.000 0.458 2122 S N 4.619 120.168 115.700 -0.251 0.000 2.576 2122 S HA 0.456 4.924 4.470 -0.002 0.000 0.276 2122 S C 0.352 174.879 174.600 -0.122 0.000 1.339 2122 S CA -0.658 57.432 58.200 -0.184 0.000 1.039 2122 S CB 0.802 63.949 63.200 -0.089 0.000 0.902 2122 S HN 0.668 nan 8.310 nan 0.000 0.516 2123 A N 4.470 127.281 122.820 -0.014 0.000 2.922 2123 A HA 0.565 4.884 4.320 -0.002 0.000 0.298 2123 A C -0.512 177.312 177.584 0.399 0.000 1.588 2123 A CA -0.153 51.991 52.037 0.179 0.000 1.288 2123 A CB -0.764 18.369 19.000 0.221 0.000 1.130 2123 A HN 0.962 nan 8.150 nan 0.000 0.557 2124 Y N -0.505 119.815 120.300 0.034 0.000 3.115 2124 Y HA -0.024 4.524 4.550 -0.002 0.000 0.351 2124 Y C 0.915 176.852 175.900 0.062 0.000 0.930 2124 Y CA -0.303 57.827 58.100 0.050 0.000 0.944 2124 Y CB -0.705 37.779 38.460 0.041 0.000 1.363 2124 Y HN 0.396 nan 8.280 nan 0.000 0.502 2125 S N 0.977 116.785 115.700 0.181 0.000 2.573 2125 S HA 0.181 4.650 4.470 -0.002 0.000 0.297 2125 S C 1.549 176.220 174.600 0.117 0.000 1.280 2125 S CA 0.909 59.174 58.200 0.108 0.000 1.061 2125 S CB 0.928 64.129 63.200 0.002 0.000 0.812 2125 S HN 0.584 nan 8.310 nan 0.000 0.500 2126 G N 2.093 110.966 108.800 0.121 0.000 2.443 2126 G HA2 0.169 4.128 3.960 -0.002 0.000 0.219 2126 G HA3 0.169 4.128 3.960 -0.002 0.000 0.219 2126 G C 0.490 175.366 174.900 -0.039 0.000 1.131 2126 G CA 0.504 45.639 45.100 0.058 0.000 0.775 2126 G HN 0.923 nan 8.290 nan 0.000 0.547 2127 A N 0.479 123.265 122.820 -0.056 0.000 2.322 2127 A HA 0.574 4.892 4.320 -0.002 0.000 0.269 2127 A C 0.852 178.441 177.584 0.009 0.000 1.094 2127 A CA 0.285 52.290 52.037 -0.053 0.000 0.807 2127 A CB 0.163 19.112 19.000 -0.085 0.000 1.047 2127 A HN 0.509 nan 8.150 nan 0.000 0.487 2128 T N -0.804 113.761 114.554 0.017 0.000 2.913 2128 T HA 0.268 4.617 4.350 -0.002 0.000 0.297 2128 T C 0.725 175.480 174.700 0.091 0.000 1.029 2128 T CA 0.021 62.164 62.100 0.071 0.000 1.104 2128 T CB 0.268 69.168 68.868 0.053 0.000 0.964 2128 T HN 0.560 nan 8.240 nan 0.000 0.532 2129 F N 2.212 122.194 119.950 0.054 0.000 2.161 2129 F HA -0.137 4.389 4.527 -0.002 0.000 0.300 2129 F C 2.374 178.203 175.800 0.048 0.000 1.089 2129 F CA 1.756 59.802 58.000 0.076 0.000 1.282 2129 F CB -0.077 39.012 39.000 0.147 0.000 1.010 2129 F HN 0.720 nan 8.300 nan 0.000 0.485 2130 E N 0.493 120.672 120.200 -0.034 0.000 2.077 2130 E HA -0.255 4.094 4.350 -0.002 0.000 0.193 2130 E C 1.897 178.389 176.600 -0.181 0.000 0.989 2130 E CA 1.679 58.011 56.400 -0.114 0.000 0.800 2130 E CB -0.941 28.764 29.700 0.008 0.000 0.746 2130 E HN 0.587 nan 8.360 nan 0.000 0.452 2131 E N 0.795 120.918 120.200 -0.129 0.000 2.077 2131 E HA -0.096 4.252 4.350 -0.002 0.000 0.193 2131 E C 2.317 178.799 176.600 -0.196 0.000 0.989 2131 E CA 0.968 57.292 56.400 -0.126 0.000 0.800 2131 E CB -0.159 29.493 29.700 -0.079 0.000 0.746 2131 E HN 0.251 nan 8.360 nan 0.000 0.452 2132 I N 0.278 120.686 120.570 -0.270 0.000 2.179 2132 I HA -0.269 3.899 4.170 -0.002 0.000 0.242 2132 I C 2.570 178.420 176.117 -0.444 0.000 1.088 2132 I CA 0.764 61.867 61.300 -0.328 0.000 1.357 2132 I CB -0.290 37.538 38.000 -0.286 0.000 1.051 2132 I HN 0.058 nan 8.210 nan 0.000 0.409 2133 S N 0.124 115.377 115.700 -0.745 0.000 2.400 2133 S HA -0.206 4.262 4.470 -0.002 0.000 0.232 2133 S C 1.865 176.296 174.600 -0.281 0.000 1.025 2133 S CA 1.431 59.277 58.200 -0.589 0.000 0.993 2133 S CB -0.213 62.591 63.200 -0.660 0.000 0.808 2133 S HN 0.394 nan 8.310 nan 0.000 0.478 2134 E N 0.014 120.070 120.200 -0.240 0.000 2.038 2134 E HA -0.117 4.232 4.350 -0.002 0.000 0.195 2134 E C 2.303 178.796 176.600 -0.178 0.000 1.000 2134 E CA 1.025 57.325 56.400 -0.167 0.000 0.803 2134 E CB -0.586 29.032 29.700 -0.137 0.000 0.750 2134 E HN 0.608 nan 8.360 nan 0.000 0.448 2135 G N 1.345 110.029 108.800 -0.193 0.000 2.446 2135 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.217 2135 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.217 2135 G C 1.603 176.397 174.900 -0.176 0.000 1.168 2135 G CA 0.658 45.636 45.100 -0.203 0.000 0.771 2135 G HN 0.090 nan 8.290 nan 0.000 0.551 2136 L N -0.054 121.081 121.223 -0.147 0.000 2.079 2136 L HA -0.069 4.269 4.340 -0.002 0.000 0.210 2136 L C 1.566 178.393 176.870 -0.072 0.000 1.081 2136 L CA 0.929 55.717 54.840 -0.088 0.000 0.752 2136 L CB -0.553 41.472 42.059 -0.056 0.000 0.896 2136 L HN 0.449 nan 8.230 nan 0.000 0.433 2137 N N -0.092 118.554 118.700 -0.090 0.000 2.714 2137 N HA -0.253 4.486 4.740 -0.002 0.000 0.252 2137 N C 0.873 176.366 175.510 -0.029 0.000 1.014 2137 N CA 0.255 53.262 53.050 -0.072 0.000 0.735 2137 N CB -0.698 37.728 38.487 -0.102 0.000 0.924 2137 N HN 0.665 nan 8.380 nan 0.000 0.540 2138 G N -1.735 107.065 108.800 0.000 0.000 2.225 2138 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.254 2138 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.254 2138 G C 0.509 175.440 174.900 0.051 0.000 0.988 2138 G CA 0.567 45.687 45.100 0.033 0.000 0.625 2138 G HN 0.869 nan 8.290 nan 0.000 0.527 2139 G N 1.149 109.970 108.800 0.035 0.000 2.594 2139 G HA2 0.539 4.498 3.960 -0.002 0.000 0.243 2139 G HA3 0.539 4.498 3.960 -0.002 0.000 0.243 2139 G C -1.309 173.630 174.900 0.066 0.000 1.229 2139 G CA 0.002 45.127 45.100 0.041 0.000 0.843 2139 G HN 0.370 nan 8.290 nan 0.000 0.578 2140 P HA 0.277 nan 4.420 nan 0.000 0.272 2140 P C -0.706 176.583 177.300 -0.019 0.000 1.230 2140 P CA -0.166 62.967 63.100 0.055 0.000 0.788 2140 P CB 1.041 32.733 31.700 -0.015 0.000 0.949 2141 R N 0.853 121.395 120.500 0.071 0.000 2.604 2141 R HA 0.466 4.805 4.340 -0.002 0.000 0.270 2141 R C -1.811 174.711 176.300 0.369 0.000 1.052 2141 R CA -0.476 55.697 56.100 0.121 0.000 0.902 2141 R CB 0.313 30.752 30.300 0.232 0.000 1.233 2141 R HN 0.353 nan 8.270 nan 0.000 0.455 2142 W N 1.697 123.067 121.300 0.117 0.000 2.719 2142 W HA 0.611 5.270 4.660 -0.002 0.000 0.352 2142 W C -0.671 175.958 176.519 0.184 0.000 1.085 2142 W CA -1.476 55.975 57.345 0.176 0.000 1.187 2142 W CB 1.053 30.590 29.460 0.129 0.000 1.417 2142 W HN 0.455 nan 8.180 nan 0.000 0.557 2143 F N 1.880 121.960 119.950 0.217 0.000 2.482 2143 F HA 0.264 4.790 4.527 -0.002 0.000 0.331 2143 F C 0.440 176.248 175.800 0.013 0.000 1.115 2143 F CA -0.807 57.244 58.000 0.086 0.000 0.955 2143 F CB 1.770 40.792 39.000 0.036 0.000 1.136 2143 F HN 0.012 nan 8.300 nan 0.000 0.452 2144 Q N 6.297 126.104 119.800 0.012 0.000 2.282 2144 Q HA 0.589 4.928 4.340 -0.002 0.000 0.260 2144 Q C -1.221 174.682 176.000 -0.161 0.000 0.964 2144 Q CA -0.633 55.089 55.803 -0.135 0.000 0.880 2144 Q CB 2.093 30.652 28.738 -0.298 0.000 1.286 2144 Q HN 0.849 nan 8.270 nan 0.000 0.445 2145 I N -0.081 120.366 120.570 -0.206 0.000 2.934 2145 I HA 0.549 4.718 4.170 -0.002 0.000 0.306 2145 I C -1.422 174.480 176.117 -0.359 0.000 1.110 2145 I CA -1.138 60.047 61.300 -0.192 0.000 1.019 2145 I CB 1.841 39.832 38.000 -0.015 0.000 1.227 2145 I HN 0.394 nan 8.210 nan 0.000 0.434 2146 Y N 2.687 122.957 120.300 -0.050 0.000 2.419 2146 Y HA 0.530 5.079 4.550 -0.002 0.000 0.328 2146 Y C 0.316 176.223 175.900 0.012 0.000 1.162 2146 Y CA -1.114 56.967 58.100 -0.032 0.000 1.174 2146 Y CB 1.212 39.644 38.460 -0.047 0.000 1.228 2146 Y HN 0.359 nan 8.280 nan 0.000 0.473 2147 M N 2.341 122.053 119.600 0.187 0.000 2.217 2147 M HA 0.261 4.740 4.480 -0.002 0.000 0.352 2147 M C 0.231 176.596 176.300 0.108 0.000 1.376 2147 M CA -0.417 54.948 55.300 0.109 0.000 1.107 2147 M CB -0.098 32.549 32.600 0.079 0.000 1.723 2147 M HN 0.789 nan 8.290 nan 0.000 0.461 2148 A N 4.496 127.364 122.820 0.081 0.000 2.332 2148 A HA 0.255 4.573 4.320 -0.002 0.000 0.258 2148 A C 1.132 178.739 177.584 0.038 0.000 1.087 2148 A CA -0.280 51.794 52.037 0.062 0.000 0.802 2148 A CB 0.500 19.529 19.000 0.048 0.000 1.042 2148 A HN 0.882 nan 8.150 nan 0.000 0.489 2149 K N -0.346 120.072 120.400 0.030 0.000 2.217 2149 K HA -0.081 4.238 4.320 -0.002 0.000 0.202 2149 K C -0.342 176.265 176.600 0.011 0.000 1.051 2149 K CA 1.179 57.477 56.287 0.020 0.000 0.952 2149 K CB 0.010 32.520 32.500 0.016 0.000 0.736 2149 K HN 0.797 nan 8.250 nan 0.000 0.453 2150 D N 0.744 121.150 120.400 0.009 0.000 2.329 2150 D HA 0.027 4.666 4.640 -0.002 0.000 0.232 2150 D C 0.299 176.593 176.300 -0.010 0.000 1.088 2150 D CA -0.264 53.736 54.000 0.000 0.000 0.835 2150 D CB 1.127 41.928 40.800 0.001 0.000 1.078 2150 D HN -0.094 nan 8.370 nan 0.000 0.495 2151 D N 2.383 122.772 120.400 -0.017 0.000 2.133 2151 D HA -0.210 4.429 4.640 -0.002 0.000 0.195 2151 D C 1.465 177.730 176.300 -0.058 0.000 0.997 2151 D CA 1.071 55.049 54.000 -0.036 0.000 0.840 2151 D CB 0.172 40.953 40.800 -0.031 0.000 0.947 2151 D HN 0.472 nan 8.370 nan 0.000 0.452 2152 Q N 0.674 120.449 119.800 -0.042 0.000 2.167 2152 Q HA -0.124 4.214 4.340 -0.002 0.000 0.202 2152 Q C 1.952 177.924 176.000 -0.047 0.000 0.970 2152 Q CA 1.212 56.987 55.803 -0.047 0.000 0.855 2152 Q CB -0.224 28.500 28.738 -0.024 0.000 0.911 2152 Q HN 0.367 nan 8.270 nan 0.000 0.438 2153 Q N -0.374 119.409 119.800 -0.029 0.000 2.084 2153 Q HA -0.194 4.145 4.340 -0.002 0.000 0.202 2153 Q C 1.496 177.479 176.000 -0.029 0.000 0.978 2153 Q CA 1.803 57.597 55.803 -0.015 0.000 0.844 2153 Q CB -0.053 28.689 28.738 0.006 0.000 0.898 2153 Q HN 0.590 nan 8.270 nan 0.000 0.426 2154 N N -0.356 118.316 118.700 -0.048 0.000 2.058 2154 N HA -0.165 4.574 4.740 -0.002 0.000 0.191 2154 N C 1.821 177.238 175.510 -0.156 0.000 1.037 2154 N CA 1.380 54.387 53.050 -0.072 0.000 0.848 2154 N CB -0.072 38.371 38.487 -0.074 0.000 1.021 2154 N HN 0.166 nan 8.380 nan 0.000 0.422 2155 R N 0.780 121.119 120.500 -0.268 0.000 2.103 2155 R HA -0.137 4.202 4.340 -0.002 0.000 0.242 2155 R C 1.281 177.484 176.300 -0.161 0.000 1.142 2155 R CA 1.401 57.211 56.100 -0.485 0.000 0.960 2155 R CB -0.371 29.645 30.300 -0.475 0.000 0.858 2155 R HN 0.348 nan 8.270 nan 0.000 0.439 2156 D N 0.654 121.005 120.400 -0.081 0.000 2.097 2156 D HA -0.112 4.527 4.640 -0.002 0.000 0.195 2156 D C 1.986 178.271 176.300 -0.025 0.000 0.989 2156 D CA 1.096 55.080 54.000 -0.027 0.000 0.827 2156 D CB -0.148 40.642 40.800 -0.016 0.000 0.966 2156 D HN 0.216 nan 8.370 nan 0.000 0.456 2157 I N 0.557 121.113 120.570 -0.023 0.000 2.252 2157 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 2157 I C 2.416 178.508 176.117 -0.042 0.000 1.102 2157 I CA 0.517 61.813 61.300 -0.008 0.000 1.385 2157 I CB -0.099 37.922 38.000 0.036 0.000 1.064 2157 I HN -0.032 nan 8.210 nan 0.000 0.414 2158 L N 0.308 121.511 121.223 -0.034 0.000 1.990 2158 L HA -0.291 4.047 4.340 -0.002 0.000 0.213 2158 L C 2.232 179.077 176.870 -0.042 0.000 1.072 2158 L CA 1.479 56.308 54.840 -0.019 0.000 0.755 2158 L CB -0.815 41.275 42.059 0.051 0.000 0.889 2158 L HN 0.264 nan 8.230 nan 0.000 0.432 2159 D N -0.395 120.013 120.400 0.012 0.000 2.123 2159 D HA -0.210 4.429 4.640 -0.002 0.000 0.196 2159 D C 2.174 178.401 176.300 -0.121 0.000 0.992 2159 D CA 1.034 55.025 54.000 -0.016 0.000 0.833 2159 D CB -0.158 40.664 40.800 0.037 0.000 0.954 2159 D HN 0.279 nan 8.370 nan 0.000 0.455 2160 E N 0.368 120.483 120.200 -0.141 0.000 2.110 2160 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 2160 E C 1.941 178.268 176.600 -0.455 0.000 0.988 2160 E CA 0.820 57.090 56.400 -0.216 0.000 0.804 2160 E CB 0.042 29.660 29.700 -0.136 0.000 0.745 2160 E HN 0.179 nan 8.360 nan 0.000 0.458 2161 A N 1.240 123.711 122.820 -0.582 0.000 1.873 2161 A HA -0.199 4.119 4.320 -0.002 0.000 0.215 2161 A C 2.164 179.300 177.584 -0.748 0.000 1.186 2161 A CA 1.786 53.129 52.037 -1.158 0.000 0.616 2161 A CB -0.404 18.097 19.000 -0.832 0.000 0.823 2161 A HN 0.127 nan 8.150 nan 0.000 0.442 2162 K N -0.156 120.019 120.400 -0.375 0.000 2.020 2162 K HA -0.185 4.134 4.320 -0.002 0.000 0.212 2162 K C 2.434 178.909 176.600 -0.208 0.000 1.050 2162 K CA 1.783 57.943 56.287 -0.213 0.000 0.929 2162 K CB -0.293 32.129 32.500 -0.129 0.000 0.714 2162 K HN 0.484 nan 8.250 nan 0.000 0.443 2163 S N 0.877 116.446 115.700 -0.218 0.000 2.387 2163 S HA -0.186 4.282 4.470 -0.002 0.000 0.230 2163 S C 1.109 175.564 174.600 -0.242 0.000 1.035 2163 S CA 1.966 60.056 58.200 -0.183 0.000 1.014 2163 S CB -0.394 62.714 63.200 -0.154 0.000 0.836 2163 S HN 0.288 nan 8.310 nan 0.000 0.466 2164 D N 0.463 120.583 120.400 -0.467 0.000 2.336 2164 D HA 0.271 4.910 4.640 -0.002 0.000 0.229 2164 D C 1.357 177.485 176.300 -0.287 0.000 1.061 2164 D CA 0.852 54.425 54.000 -0.710 0.000 0.875 2164 D CB -0.106 39.815 40.800 -1.464 0.000 0.904 2164 D HN 0.634 nan 8.370 nan 0.000 0.525 2165 G N 0.203 108.932 108.800 -0.118 0.000 2.159 2165 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.227 2165 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.227 2165 G C 0.562 175.542 174.900 0.134 0.000 0.986 2165 G CA -0.013 45.127 45.100 0.068 0.000 0.651 2165 G HN 0.575 nan 8.290 nan 0.000 0.523 2166 A N 0.297 123.153 122.820 0.061 0.000 2.498 2166 A HA 0.600 4.919 4.320 -0.002 0.000 0.239 2166 A C 1.511 179.225 177.584 0.217 0.000 1.068 2166 A CA 1.626 53.789 52.037 0.211 0.000 0.766 2166 A CB 0.254 19.311 19.000 0.095 0.000 1.003 2166 A HN 1.368 nan 8.150 nan 0.000 0.497 2167 T N -0.985 113.793 114.554 0.373 0.000 3.023 2167 T HA 0.571 4.920 4.350 -0.002 0.000 0.253 2167 T C 0.374 175.173 174.700 0.165 0.000 1.038 2167 T CA 0.556 62.872 62.100 0.360 0.000 0.962 2167 T CB 0.046 69.300 68.868 0.644 0.000 1.018 2167 T HN 1.691 nan 8.240 nan 0.000 0.521 2168 A N 0.904 123.714 122.820 -0.017 0.000 2.612 2168 A HA 0.693 5.011 4.320 -0.002 0.000 0.293 2168 A C -1.765 175.770 177.584 -0.083 0.000 1.075 2168 A CA -0.866 50.998 52.037 -0.289 0.000 0.680 2168 A CB 1.111 19.535 19.000 -0.960 0.000 1.279 2168 A HN 0.168 nan 8.150 nan 0.000 0.411 2169 I N 1.265 121.808 120.570 -0.044 0.000 2.377 2169 I HA 0.433 4.601 4.170 -0.002 0.000 0.293 2169 I C -0.521 175.636 176.117 0.066 0.000 0.987 2169 I CA -0.692 60.633 61.300 0.042 0.000 1.185 2169 I CB 1.160 39.174 38.000 0.024 0.000 1.341 2169 I HN 0.496 nan 8.210 nan 0.000 0.455 2170 I N 6.568 127.174 120.570 0.060 0.000 2.330 2170 I HA 0.229 4.397 4.170 -0.002 0.000 0.289 2170 I C -0.368 175.697 176.117 -0.088 0.000 1.001 2170 I CA -0.694 60.609 61.300 0.005 0.000 1.193 2170 I CB 1.533 39.431 38.000 -0.169 0.000 1.345 2170 I HN 0.280 nan 8.210 nan 0.000 0.461 2171 L N 7.171 128.366 121.223 -0.046 0.000 2.255 2171 L HA 0.410 4.749 4.340 -0.002 0.000 0.289 2171 L C 0.010 176.815 176.870 -0.107 0.000 1.046 2171 L CA 0.385 55.181 54.840 -0.072 0.000 0.816 2171 L CB 0.887 42.941 42.059 -0.009 0.000 1.197 2171 L HN 0.493 nan 8.230 nan 0.000 0.427 2172 T N 5.343 119.779 114.554 -0.196 0.000 2.737 2172 T HA 0.475 4.823 4.350 -0.002 0.000 0.296 2172 T C 0.809 175.570 174.700 0.101 0.000 0.922 2172 T CA 0.299 62.324 62.100 -0.126 0.000 1.079 2172 T CB 1.059 69.765 68.868 -0.270 0.000 0.892 2172 T HN 0.741 nan 8.240 nan 0.000 0.514 2173 A N 2.703 125.583 122.820 0.099 0.000 2.545 2173 A HA 0.231 4.550 4.320 -0.002 0.000 0.263 2173 A C 1.359 179.010 177.584 0.111 0.000 1.202 2173 A CA -0.439 51.670 52.037 0.120 0.000 0.959 2173 A CB 0.160 19.206 19.000 0.077 0.000 1.124 2173 A HN 0.737 nan 8.150 nan 0.000 0.543 2174 D N -0.780 119.701 120.400 0.135 0.000 2.325 2174 D HA 0.121 4.759 4.640 -0.002 0.000 0.225 2174 D C 0.299 176.631 176.300 0.054 0.000 1.096 2174 D CA 0.504 54.566 54.000 0.103 0.000 0.844 2174 D CB -0.075 40.798 40.800 0.122 0.000 0.925 2174 D HN 0.039 nan 8.370 nan 0.000 0.513 2175 S N -0.595 115.147 115.700 0.070 0.000 2.902 2175 S HA 0.048 4.517 4.470 -0.002 0.000 0.250 2175 S C 1.470 176.051 174.600 -0.032 0.000 1.046 2175 S CA -0.025 58.150 58.200 -0.042 0.000 1.069 2175 S CB 0.539 63.774 63.200 0.059 0.000 0.967 2175 S HN 0.457 nan 8.310 nan 0.000 0.530 2176 T N 0.080 114.629 114.554 -0.009 0.000 2.803 2176 T HA -0.042 4.306 4.350 -0.002 0.000 0.269 2176 T C 0.872 175.569 174.700 -0.005 0.000 1.052 2176 T CA 1.281 63.383 62.100 0.003 0.000 1.136 2176 T CB -0.529 68.346 68.868 0.011 0.000 0.864 2176 T HN 0.358 nan 8.240 nan 0.000 0.467 2177 V N -2.130 117.753 119.914 -0.051 0.000 3.074 2177 V HA 0.771 4.890 4.120 -0.002 0.000 0.314 2177 V C 0.146 176.088 176.094 -0.252 0.000 1.117 2177 V CA -1.349 60.909 62.300 -0.070 0.000 1.014 2177 V CB 1.546 33.338 31.823 -0.051 0.000 1.057 2177 V HN 0.219 nan 8.190 nan 0.000 0.438 2178 S N 1.031 116.520 115.700 -0.351 0.000 2.579 2178 S HA 0.514 4.982 4.470 -0.002 0.000 0.275 2178 S C 0.693 175.058 174.600 -0.392 0.000 1.345 2178 S CA 0.356 58.143 58.200 -0.687 0.000 1.031 2178 S CB 0.411 63.320 63.200 -0.484 0.000 0.892 2178 S HN 1.775 nan 8.310 nan 0.000 0.529 2179 G N 2.136 110.689 108.800 -0.412 0.000 2.634 2179 G HA2 0.180 4.139 3.960 -0.002 0.000 0.255 2179 G HA3 0.180 4.139 3.960 -0.002 0.000 0.255 2179 G C -0.069 174.735 174.900 -0.160 0.000 1.205 2179 G CA -0.720 44.244 45.100 -0.226 0.000 0.884 2179 G HN 0.884 nan 8.290 nan 0.000 0.549 2180 N N 0.249 118.890 118.700 -0.098 0.000 2.868 2180 N HA 0.084 4.822 4.740 -0.002 0.000 0.252 2180 N C -0.369 175.091 175.510 -0.083 0.000 1.130 2180 N CA -0.307 52.694 53.050 -0.082 0.000 1.026 2180 N CB 0.636 39.074 38.487 -0.081 0.000 1.335 2180 N HN 0.333 nan 8.380 nan 0.000 0.516 2181 R N 1.015 121.473 120.500 -0.069 0.000 2.419 2181 R HA 0.126 4.465 4.340 -0.002 0.000 0.305 2181 R C -0.084 176.203 176.300 -0.021 0.000 1.242 2181 R CA -0.451 55.615 56.100 -0.056 0.000 1.105 2181 R CB 0.419 30.679 30.300 -0.066 0.000 1.116 2181 R HN 0.279 nan 8.270 nan 0.000 0.523 2182 D N 1.763 122.143 120.400 -0.033 0.000 2.178 2182 D HA -0.133 4.506 4.640 -0.002 0.000 0.201 2182 D C 1.507 177.821 176.300 0.024 0.000 0.980 2182 D CA 1.292 55.285 54.000 -0.012 0.000 0.842 2182 D CB 0.228 41.009 40.800 -0.032 0.000 0.948 2182 D HN 0.355 nan 8.370 nan 0.000 0.472 2183 R N 0.405 120.917 120.500 0.020 0.000 2.073 2183 R HA -0.094 4.245 4.340 -0.002 0.000 0.234 2183 R C 1.465 177.817 176.300 0.086 0.000 1.134 2183 R CA 1.204 57.330 56.100 0.044 0.000 0.952 2183 R CB -0.158 30.144 30.300 0.003 0.000 0.850 2183 R HN 0.201 nan 8.270 nan 0.000 0.433 2184 D N 0.090 120.544 120.400 0.091 0.000 2.144 2184 D HA -0.091 4.547 4.640 -0.002 0.000 0.200 2184 D C 1.985 178.404 176.300 0.199 0.000 0.978 2184 D CA 0.875 54.990 54.000 0.193 0.000 0.833 2184 D CB -0.056 40.889 40.800 0.243 0.000 0.961 2184 D HN 0.010 nan 8.370 nan 0.000 0.470 2185 V N 1.049 121.039 119.914 0.126 0.000 2.323 2185 V HA -0.191 3.928 4.120 -0.002 0.000 0.244 2185 V C 2.259 178.413 176.094 0.101 0.000 1.041 2185 V CA 1.460 63.822 62.300 0.102 0.000 1.025 2185 V CB -0.319 31.540 31.823 0.060 0.000 0.656 2185 V HN 0.139 nan 8.190 nan 0.000 0.451 2186 K N 0.339 120.796 120.400 0.095 0.000 2.148 2186 K HA -0.094 4.225 4.320 -0.002 0.000 0.204 2186 K C 1.682 178.360 176.600 0.130 0.000 1.050 2186 K CA 1.538 57.882 56.287 0.095 0.000 0.942 2186 K CB -0.274 32.277 32.500 0.085 0.000 0.724 2186 K HN 0.565 nan 8.250 nan 0.000 0.446 2187 N N 0.834 119.640 118.700 0.177 0.000 2.467 2187 N HA -0.013 4.726 4.740 -0.002 0.000 0.184 2187 N C -0.601 175.043 175.510 0.224 0.000 1.106 2187 N CA 0.012 53.203 53.050 0.235 0.000 0.892 2187 N CB 0.177 38.847 38.487 0.305 0.000 0.969 2187 N HN 0.022 nan 8.380 nan 0.000 0.454 2188 K N 0.580 121.090 120.400 0.184 0.000 3.071 2188 K HA -0.231 4.087 4.320 -0.002 0.000 0.262 2188 K C -0.572 176.135 176.600 0.177 0.000 0.977 2188 K CA 0.207 56.582 56.287 0.148 0.000 0.721 2188 K CB -1.899 30.656 32.500 0.093 0.000 1.293 2188 K HN 0.262 nan 8.250 nan 0.000 0.475 2189 F N 0.870 120.885 119.950 0.109 0.000 2.538 2189 F HA 0.174 4.699 4.527 -0.002 0.000 0.371 2189 F C 0.301 176.145 175.800 0.073 0.000 1.087 2189 F CA -0.170 57.896 58.000 0.110 0.000 1.250 2189 F CB 0.718 39.814 39.000 0.161 0.000 1.110 2189 F HN -0.132 nan 8.300 nan 0.000 0.570 2190 V N 8.023 127.441 119.914 -0.827 0.000 2.407 2190 V HA 0.119 4.237 4.120 -0.002 0.000 0.291 2190 V C -0.905 174.525 176.094 -1.106 0.000 1.018 2190 V CA -0.993 60.904 62.300 -0.673 0.000 0.842 2190 V CB 1.023 32.646 31.823 -0.333 0.000 0.996 2190 V HN 0.649 nan 8.190 nan 0.000 0.426 2191 Y N 9.106 128.840 120.300 -0.943 0.000 2.544 2191 Y HA 0.250 4.798 4.550 -0.002 0.000 0.330 2191 Y C -0.965 174.599 175.900 -0.560 0.000 1.136 2191 Y CA -1.319 56.358 58.100 -0.704 0.000 1.417 2191 Y CB 1.257 39.524 38.460 -0.323 0.000 1.229 2191 Y HN 0.521 nan 8.280 nan 0.000 0.532 2192 P HA 0.031 nan 4.420 nan 0.000 0.239 2192 P C -0.594 176.120 177.300 -0.977 0.000 1.188 2192 P CA 0.590 63.075 63.100 -1.024 0.000 0.794 2192 P CB 0.273 31.277 31.700 -1.160 0.000 0.937 2193 F N 0.295 119.759 119.950 -0.811 0.000 2.408 2193 F HA 0.572 5.098 4.527 -0.002 0.000 0.325 2193 F C 1.749 177.500 175.800 -0.081 0.000 1.082 2193 F CA -0.779 56.987 58.000 -0.390 0.000 1.032 2193 F CB 0.549 39.329 39.000 -0.366 0.000 1.259 2193 F HN -0.161 nan 8.300 nan 0.000 0.503 2194 G N 0.392 109.307 108.800 0.192 0.000 2.510 2194 G HA2 0.621 4.580 3.960 -0.002 0.000 0.280 2194 G HA3 0.621 4.580 3.960 -0.002 0.000 0.280 2194 G C -0.660 174.333 174.900 0.154 0.000 1.386 2194 G CA -0.919 44.258 45.100 0.128 0.000 1.047 2194 G HN 0.539 nan 8.290 nan 0.000 0.527 2215 Y N 3.001 123.268 120.300 -0.055 0.000 2.200 2215 Y HA 0.055 4.603 4.550 -0.002 0.000 0.290 2215 Y C 2.735 178.583 175.900 -0.086 0.000 1.137 2215 Y CA 1.924 59.932 58.100 -0.153 0.000 1.163 2215 Y CB -0.642 37.727 38.460 -0.151 0.000 0.988 2215 Y HN 0.350 nan 8.280 nan 0.000 0.518 2216 G N -0.520 108.335 108.800 0.090 0.000 2.421 2216 G HA2 -0.098 3.860 3.960 -0.002 0.000 0.217 2216 G HA3 -0.098 3.860 3.960 -0.002 0.000 0.217 2216 G C 1.811 176.723 174.900 0.021 0.000 1.143 2216 G CA 0.717 45.848 45.100 0.050 0.000 0.784 2216 G HN 0.453 nan 8.290 nan 0.000 0.541 2217 A N 0.375 123.197 122.820 0.005 0.000 1.968 2217 A HA 0.312 4.630 4.320 -0.002 0.000 0.217 2217 A C 1.926 179.518 177.584 0.013 0.000 1.169 2217 A CA 0.985 53.023 52.037 0.002 0.000 0.638 2217 A CB -0.238 18.754 19.000 -0.014 0.000 0.812 2217 A HN 0.301 nan 8.150 nan 0.000 0.446 2218 S N -0.620 115.086 115.700 0.010 0.000 2.626 2218 S HA 0.277 4.746 4.470 -0.002 0.000 0.257 2218 S C 0.329 174.946 174.600 0.028 0.000 1.288 2218 S CA -0.500 57.717 58.200 0.029 0.000 0.980 2218 S CB 0.464 63.666 63.200 0.004 0.000 0.975 2218 S HN 0.472 nan 8.310 nan 0.000 0.577 2219 K N 0.650 121.076 120.400 0.043 0.000 2.379 2219 K HA 0.087 4.406 4.320 -0.002 0.000 0.284 2219 K C 0.419 177.038 176.600 0.032 0.000 1.044 2219 K CA -0.001 56.309 56.287 0.037 0.000 0.974 2219 K CB 0.418 32.944 32.500 0.044 0.000 0.962 2219 K HN 0.376 nan 8.250 nan 0.000 0.474 2220 Q N 2.490 122.304 119.800 0.024 0.000 2.165 2220 Q HA 0.002 4.340 4.340 -0.002 0.000 0.197 2220 Q C 0.446 176.457 176.000 0.019 0.000 0.952 2220 Q CA 1.247 57.062 55.803 0.019 0.000 0.848 2220 Q CB 0.172 28.918 28.738 0.014 0.000 0.931 2220 Q HN 0.450 nan 8.270 nan 0.000 0.470 2221 K N 1.265 121.676 120.400 0.017 0.000 3.226 2221 K HA 0.154 4.473 4.320 -0.002 0.000 0.268 2221 K C -0.756 175.854 176.600 0.017 0.000 1.217 2221 K CA -0.156 56.140 56.287 0.014 0.000 1.242 2221 K CB -0.512 31.994 32.500 0.010 0.000 1.389 2221 K HN 0.157 nan 8.250 nan 0.000 0.406 2222 I N 1.798 122.382 120.570 0.023 0.000 2.752 2222 I HA -0.122 4.046 4.170 -0.002 0.000 0.289 2222 I C 0.705 176.834 176.117 0.020 0.000 1.197 2222 I CA 0.317 61.633 61.300 0.027 0.000 1.432 2222 I CB 0.514 38.537 38.000 0.039 0.000 1.359 2222 I HN 0.321 nan 8.210 nan 0.000 0.571 2223 S N 5.904 121.614 115.700 0.017 0.000 2.667 2223 S HA 0.547 5.016 4.470 -0.002 0.000 0.292 2223 S C -2.156 172.452 174.600 0.014 0.000 1.126 2223 S CA -1.387 56.820 58.200 0.013 0.000 0.881 2223 S CB 2.002 65.207 63.200 0.009 0.000 1.132 2223 S HN 0.321 nan 8.310 nan 0.000 0.492 2224 P HA -0.056 nan 4.420 nan 0.000 0.218 2224 P C 1.413 178.718 177.300 0.010 0.000 1.146 2224 P CA 0.916 64.023 63.100 0.011 0.000 0.813 2224 P CB 0.003 31.709 31.700 0.009 0.000 0.778 2225 R N 0.047 120.552 120.500 0.009 0.000 2.120 2225 R HA -0.129 4.210 4.340 -0.002 0.000 0.234 2225 R C 1.646 177.951 176.300 0.009 0.000 1.123 2225 R CA 1.436 57.541 56.100 0.008 0.000 0.975 2225 R CB -0.510 29.794 30.300 0.007 0.000 0.866 2225 R HN 0.159 nan 8.270 nan 0.000 0.446 2226 D N 0.448 120.855 120.400 0.011 0.000 2.123 2226 D HA -0.195 4.444 4.640 -0.002 0.000 0.196 2226 D C 1.918 178.226 176.300 0.012 0.000 0.992 2226 D CA 1.533 55.540 54.000 0.012 0.000 0.833 2226 D CB -0.109 40.702 40.800 0.018 0.000 0.954 2226 D HN 0.312 nan 8.370 nan 0.000 0.455 2227 I N 1.550 122.128 120.570 0.013 0.000 2.142 2227 I HA -0.242 3.927 4.170 -0.002 0.000 0.240 2227 I C 2.409 178.529 176.117 0.004 0.000 1.078 2227 I CA 1.147 62.453 61.300 0.009 0.000 1.343 2227 I CB -0.285 37.721 38.000 0.010 0.000 1.046 2227 I HN -0.057 nan 8.210 nan 0.000 0.405 2228 E N 0.639 120.842 120.200 0.004 0.000 2.114 2228 E HA -0.293 4.056 4.350 -0.002 0.000 0.199 2228 E C 2.102 178.708 176.600 0.009 0.000 1.008 2228 E CA 1.710 58.112 56.400 0.003 0.000 0.810 2228 E CB -0.232 29.470 29.700 0.004 0.000 0.739 2228 E HN 0.585 nan 8.360 nan 0.000 0.456 2229 E N 0.117 120.325 120.200 0.013 0.000 2.107 2229 E HA -0.132 4.216 4.350 -0.002 0.000 0.191 2229 E C 2.090 178.711 176.600 0.036 0.000 0.982 2229 E CA 0.468 56.882 56.400 0.022 0.000 0.809 2229 E CB 0.092 29.800 29.700 0.012 0.000 0.756 2229 E HN 0.197 nan 8.360 nan 0.000 0.459 2230 I N 1.225 121.809 120.570 0.023 0.000 2.315 2230 I HA -0.170 3.998 4.170 -0.002 0.000 0.248 2230 I C 2.453 178.591 176.117 0.036 0.000 1.117 2230 I CA 0.941 62.259 61.300 0.029 0.000 1.404 2230 I CB -1.408 36.599 38.000 0.012 0.000 1.071 2230 I HN 0.002 nan 8.210 nan 0.000 0.419 2231 A N 0.969 123.797 122.820 0.013 0.000 1.902 2231 A HA -0.088 4.230 4.320 -0.002 0.000 0.217 2231 A C 2.509 180.097 177.584 0.007 0.000 1.181 2231 A CA 1.860 53.895 52.037 -0.003 0.000 0.623 2231 A CB -1.275 17.714 19.000 -0.018 0.000 0.818 2231 A HN 0.417 nan 8.150 nan 0.000 0.443 2232 G N -1.374 107.440 108.800 0.024 0.000 2.414 2232 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.215 2232 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.215 2232 G C 1.530 176.449 174.900 0.032 0.000 1.188 2232 G CA 1.371 46.485 45.100 0.024 0.000 0.783 2232 G HN 0.737 nan 8.290 nan 0.000 0.537 2233 H N 1.249 120.306 119.070 -0.022 0.000 2.326 2233 H HA 0.068 4.623 4.556 -0.002 0.000 0.301 2233 H C 1.860 177.170 175.328 -0.030 0.000 1.081 2233 H CA 1.123 57.157 56.048 -0.023 0.000 1.334 2233 H CB -0.279 29.471 29.762 -0.020 0.000 1.385 2233 H HN 0.395 nan 8.280 nan 0.000 0.504 2234 S N -0.721 115.029 115.700 0.084 0.000 2.576 2234 S HA 0.165 4.634 4.470 -0.002 0.000 0.276 2234 S C 1.626 176.198 174.600 -0.046 0.000 1.339 2234 S CA -0.345 57.860 58.200 0.008 0.000 1.039 2234 S CB 1.471 64.690 63.200 0.031 0.000 0.902 2234 S HN 0.514 nan 8.310 nan 0.000 0.516 2235 G N 1.221 109.984 108.800 -0.062 0.000 2.744 2235 G HA2 0.165 4.123 3.960 -0.002 0.000 0.211 2235 G HA3 0.165 4.123 3.960 -0.002 0.000 0.211 2235 G C 0.319 175.194 174.900 -0.042 0.000 1.143 2235 G CA -0.064 45.004 45.100 -0.054 0.000 0.788 2235 G HN 0.631 nan 8.290 nan 0.000 0.534 2236 L N 0.601 121.801 121.223 -0.039 0.000 2.360 2236 L HA 0.356 4.694 4.340 -0.002 0.000 0.271 2236 L C -2.135 174.690 176.870 -0.075 0.000 1.057 2236 L CA -2.234 52.580 54.840 -0.043 0.000 0.803 2236 L CB 1.457 43.497 42.059 -0.031 0.000 1.207 2236 L HN -0.160 nan 8.230 nan 0.000 0.445 2237 P HA 0.050 nan 4.420 nan 0.000 0.267 2237 P C -0.862 176.302 177.300 -0.227 0.000 1.209 2237 P CA -0.064 62.923 63.100 -0.188 0.000 0.763 2237 P CB 0.545 32.109 31.700 -0.227 0.000 0.816 2238 V N 5.396 125.177 119.914 -0.221 0.000 2.370 2238 V HA 0.301 4.420 4.120 -0.002 0.000 0.279 2238 V C 0.048 176.001 176.094 -0.234 0.000 1.029 2238 V CA -0.333 61.874 62.300 -0.156 0.000 0.870 2238 V CB 0.203 31.981 31.823 -0.075 0.000 0.984 2238 V HN 0.354 nan 8.190 nan 0.000 0.451 2239 F N 3.546 123.464 119.950 -0.054 0.000 2.394 2239 F HA 0.477 5.003 4.527 -0.002 0.000 0.340 2239 F C 0.337 176.159 175.800 0.036 0.000 1.105 2239 F CA -0.363 57.662 58.000 0.041 0.000 1.124 2239 F CB 1.680 40.782 39.000 0.170 0.000 1.145 2239 F HN 0.175 nan 8.300 nan 0.000 0.505 2240 V N 4.273 124.332 119.914 0.241 0.000 2.383 2240 V HA 0.290 4.409 4.120 -0.002 0.000 0.275 2240 V C -0.190 176.024 176.094 0.200 0.000 1.036 2240 V CA -0.898 61.495 62.300 0.156 0.000 0.889 2240 V CB 1.266 33.153 31.823 0.107 0.000 0.985 2240 V HN 0.616 nan 8.190 nan 0.000 0.459 2241 K N 3.330 123.768 120.400 0.064 0.000 2.244 2241 K HA 0.663 4.982 4.320 -0.002 0.000 0.260 2241 K C 0.592 177.179 176.600 -0.022 0.000 0.951 2241 K CA 0.281 56.534 56.287 -0.057 0.000 0.826 2241 K CB 1.421 33.613 32.500 -0.513 0.000 1.108 2241 K HN 0.888 nan 8.250 nan 0.000 0.433 2242 G N 3.758 112.585 108.800 0.044 0.000 2.164 2242 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.154 2242 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.154 2242 G C -0.103 174.861 174.900 0.107 0.000 1.014 2242 G CA -0.439 44.704 45.100 0.072 0.000 0.683 2242 G HN 0.550 nan 8.290 nan 0.000 0.500 2243 I N 0.989 121.643 120.570 0.140 0.000 2.496 2243 I HA 0.263 4.431 4.170 -0.002 0.000 0.285 2243 I C 1.151 177.352 176.117 0.140 0.000 1.080 2243 I CA 0.130 61.516 61.300 0.143 0.000 1.404 2243 I CB 1.292 39.389 38.000 0.162 0.000 1.403 2243 I HN 0.054 nan 8.210 nan 0.000 0.539 2244 Q N 3.596 123.476 119.800 0.134 0.000 2.101 2244 Q HA 0.162 4.500 4.340 -0.002 0.000 0.236 2244 Q C -0.129 175.942 176.000 0.118 0.000 0.772 2244 Q CA 0.131 56.006 55.803 0.119 0.000 0.944 2244 Q CB 1.053 29.853 28.738 0.104 0.000 1.171 2244 Q HN 0.571 nan 8.270 nan 0.000 0.463 2245 H N 2.164 121.265 119.070 0.051 0.000 2.489 2245 H HA 0.223 4.777 4.556 -0.002 0.000 0.343 2245 H C -1.880 173.472 175.328 0.040 0.000 1.086 2245 H CA -1.749 54.321 56.048 0.037 0.000 1.198 2245 H CB 2.429 32.209 29.762 0.030 0.000 1.490 2245 H HN -0.199 nan 8.280 nan 0.000 0.504 2246 P HA -0.143 nan 4.420 nan 0.000 0.218 2246 P C 1.187 178.588 177.300 0.167 0.000 1.149 2246 P CA 0.857 63.987 63.100 0.049 0.000 0.817 2246 P CB 0.628 32.298 31.700 -0.050 0.000 0.785 2247 E N 0.882 121.298 120.200 0.360 0.000 2.118 2247 E HA -0.197 4.151 4.350 -0.002 0.000 0.195 2247 E C 1.439 178.120 176.600 0.135 0.000 0.992 2247 E CA 1.508 58.046 56.400 0.231 0.000 0.804 2247 E CB -0.995 28.824 29.700 0.199 0.000 0.741 2247 E HN 0.117 nan 8.360 nan 0.000 0.458 2248 D N -0.443 120.049 120.400 0.154 0.000 2.219 2248 D HA -0.073 4.565 4.640 -0.002 0.000 0.205 2248 D C 1.623 177.979 176.300 0.093 0.000 0.970 2248 D CA 1.226 55.283 54.000 0.095 0.000 0.851 2248 D CB -0.321 40.537 40.800 0.096 0.000 0.943 2248 D HN 0.332 nan 8.370 nan 0.000 0.488 2249 A N 0.948 123.831 122.820 0.105 0.000 1.872 2249 A HA -0.171 4.147 4.320 -0.002 0.000 0.214 2249 A C 1.883 179.506 177.584 0.065 0.000 1.187 2249 A CA 1.416 53.506 52.037 0.088 0.000 0.614 2249 A CB -0.417 18.636 19.000 0.088 0.000 0.826 2249 A HN -0.013 nan 8.150 nan 0.000 0.442 2250 D N -0.506 119.931 120.400 0.062 0.000 2.156 2250 D HA -0.228 4.410 4.640 -0.002 0.000 0.190 2250 D C 1.929 178.251 176.300 0.036 0.000 0.998 2250 D CA 1.773 55.799 54.000 0.045 0.000 0.842 2250 D CB -0.426 40.401 40.800 0.046 0.000 0.974 2250 D HN 0.288 nan 8.370 nan 0.000 0.447 2251 M N 0.954 120.577 119.600 0.039 0.000 2.113 2251 M HA -0.273 4.206 4.480 -0.002 0.000 0.255 2251 M C 2.051 178.367 176.300 0.026 0.000 1.073 2251 M CA 2.241 57.558 55.300 0.029 0.000 1.091 2251 M CB -0.816 31.801 32.600 0.027 0.000 1.309 2251 M HN 0.033 nan 8.290 nan 0.000 0.407 2252 A N 0.243 123.084 122.820 0.035 0.000 1.877 2252 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 2252 A C 2.176 179.767 177.584 0.012 0.000 1.186 2252 A CA 1.857 53.912 52.037 0.029 0.000 0.620 2252 A CB -0.933 18.096 19.000 0.049 0.000 0.822 2252 A HN 0.635 nan 8.150 nan 0.000 0.443 2253 I N -0.339 120.239 120.570 0.013 0.000 2.226 2253 I HA -0.271 3.898 4.170 -0.002 0.000 0.245 2253 I C 2.265 178.379 176.117 -0.005 0.000 1.100 2253 I CA 1.529 62.828 61.300 -0.002 0.000 1.374 2253 I CB -0.274 37.730 38.000 0.005 0.000 1.057 2253 I HN 0.283 nan 8.210 nan 0.000 0.413 2254 K N 0.389 120.791 120.400 0.003 0.000 2.280 2254 K HA -0.101 4.217 4.320 -0.002 0.000 0.202 2254 K C 1.701 178.300 176.600 -0.002 0.000 1.047 2254 K CA 0.787 57.075 56.287 0.002 0.000 0.942 2254 K CB -0.027 32.477 32.500 0.007 0.000 0.739 2254 K HN 0.231 nan 8.250 nan 0.000 0.457 2255 R N -0.504 119.995 120.500 -0.002 0.000 2.334 2255 R HA 0.077 4.415 4.340 -0.002 0.000 0.216 2255 R C 0.911 177.203 176.300 -0.013 0.000 0.905 2255 R CA 0.608 56.706 56.100 -0.004 0.000 1.064 2255 R CB 0.756 31.058 30.300 0.002 0.000 1.046 2255 R HN 0.411 nan 8.270 nan 0.000 0.508 2256 G N 0.588 109.375 108.800 -0.022 0.000 2.134 2256 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.209 2256 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.209 2256 G C 0.219 175.084 174.900 -0.058 0.000 0.993 2256 G CA -0.010 45.068 45.100 -0.036 0.000 0.669 2256 G HN 0.490 nan 8.290 nan 0.000 0.519 2257 A N 0.294 123.080 122.820 -0.058 0.000 2.524 2257 A HA 0.611 4.930 4.320 -0.002 0.000 0.250 2257 A C 1.325 178.820 177.584 -0.149 0.000 1.078 2257 A CA 1.166 53.144 52.037 -0.098 0.000 0.761 2257 A CB 0.336 19.303 19.000 -0.055 0.000 1.012 2257 A HN 1.047 nan 8.150 nan 0.000 0.500 2258 S N 1.277 116.825 115.700 -0.254 0.000 2.660 2258 S HA 0.457 4.926 4.470 -0.002 0.000 0.227 2258 S C 0.622 174.928 174.600 -0.490 0.000 0.948 2258 S CA 0.433 58.451 58.200 -0.304 0.000 0.948 2258 S CB -0.187 62.832 63.200 -0.302 0.000 0.779 2258 S HN 1.531 nan 8.310 nan 0.000 0.487 2259 G N 0.953 109.448 108.800 -0.509 0.000 2.404 2259 G HA2 0.429 4.388 3.960 -0.002 0.000 0.298 2259 G HA3 0.429 4.388 3.960 -0.002 0.000 0.298 2259 G C -1.812 173.076 174.900 -0.019 0.000 1.577 2259 G CA -0.760 44.032 45.100 -0.513 0.000 0.847 2259 G HN 0.074 nan 8.290 nan 0.000 0.598 2260 I N 1.157 121.901 120.570 0.291 0.000 2.406 2260 I HA 0.422 4.590 4.170 -0.002 0.000 0.290 2260 I C -0.956 175.447 176.117 0.477 0.000 0.999 2260 I CA -0.958 60.544 61.300 0.338 0.000 1.124 2260 I CB 1.806 39.927 38.000 0.203 0.000 1.289 2260 I HN 0.611 nan 8.210 nan 0.000 0.441 2261 W N 8.052 129.507 121.300 0.258 0.000 2.299 2261 W HA 0.440 5.099 4.660 -0.002 0.000 0.319 2261 W C -1.176 175.387 176.519 0.075 0.000 1.008 2261 W CA -0.748 56.680 57.345 0.138 0.000 1.384 2261 W CB 1.410 30.907 29.460 0.062 0.000 1.220 2261 W HN 0.090 nan 8.180 nan 0.000 0.402 2262 V N 5.710 125.809 119.914 0.308 0.000 2.508 2262 V HA 0.393 4.512 4.120 -0.002 0.000 0.281 2262 V C 0.316 176.478 176.094 0.113 0.000 1.041 2262 V CA 0.333 62.770 62.300 0.229 0.000 1.016 2262 V CB 0.845 32.843 31.823 0.290 0.000 0.984 2262 V HN 0.495 nan 8.190 nan 0.000 0.478 2263 S N 3.261 119.016 115.700 0.091 0.000 2.558 2263 S HA 0.378 4.847 4.470 -0.002 0.000 0.277 2263 S C -0.389 174.229 174.600 0.030 0.000 1.143 2263 S CA -0.588 57.620 58.200 0.014 0.000 0.865 2263 S CB 1.393 64.645 63.200 0.087 0.000 1.102 2263 S HN 0.929 nan 8.310 nan 0.000 0.454 2264 N N 1.945 120.653 118.700 0.012 0.000 2.338 2264 N HA 0.208 4.946 4.740 -0.002 0.000 0.251 2264 N C -0.042 175.538 175.510 0.116 0.000 1.199 2264 N CA 0.096 53.183 53.050 0.061 0.000 0.879 2264 N CB -0.628 37.890 38.487 0.052 0.000 1.159 2264 N HN 0.902 nan 8.380 nan 0.000 0.514 2265 H N -0.140 118.907 119.070 -0.038 0.000 2.903 2265 H HA -0.113 4.441 4.556 -0.002 0.000 0.285 2265 H C 0.993 176.284 175.328 -0.061 0.000 1.231 2265 H CA 0.817 56.833 56.048 -0.053 0.000 1.135 2265 H CB -1.281 28.454 29.762 -0.045 0.000 1.328 2265 H HN 0.647 nan 8.280 nan 0.000 0.388 2266 G N -0.552 108.267 108.800 0.032 0.000 2.249 2266 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.273 2266 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.273 2266 G C 0.935 175.849 174.900 0.024 0.000 1.036 2266 G CA 1.101 46.206 45.100 0.008 0.000 0.824 2266 G HN 1.945 nan 8.290 nan 0.000 0.504 2267 A N -2.059 120.787 122.820 0.043 0.000 2.847 2267 A HA -0.276 4.043 4.320 -0.002 0.000 0.263 2267 A C 1.599 179.201 177.584 0.030 0.000 1.391 2267 A CA 2.351 54.417 52.037 0.048 0.000 0.866 2267 A CB -1.618 17.412 19.000 0.049 0.000 1.057 2267 A HN 1.212 nan 8.150 nan 0.000 0.673 2268 R N -1.207 119.295 120.500 0.003 0.000 2.317 2268 R HA 0.146 4.485 4.340 -0.002 0.000 0.208 2268 R C 1.539 177.725 176.300 -0.189 0.000 0.914 2268 R CA 0.680 56.725 56.100 -0.092 0.000 1.060 2268 R CB 0.100 30.339 30.300 -0.102 0.000 1.015 2268 R HN 0.673 nan 8.270 nan 0.000 0.498 2269 Q N -0.092 119.630 119.800 -0.129 0.000 3.046 2269 Q HA 0.200 4.539 4.340 -0.002 0.000 0.211 2269 Q C -0.178 175.791 176.000 -0.051 0.000 1.153 2269 Q CA -0.539 55.161 55.803 -0.171 0.000 0.326 2269 Q CB -0.549 28.072 28.738 -0.195 0.000 5.660 2269 Q HN 0.049 nan 8.270 nan 0.000 0.312 2270 L N 2.202 123.419 121.223 -0.010 0.000 2.462 2270 L HA 0.089 4.428 4.340 -0.002 0.000 0.272 2270 L C -0.664 176.263 176.870 0.096 0.000 1.166 2270 L CA 0.266 55.128 54.840 0.036 0.000 0.880 2270 L CB -0.261 41.814 42.059 0.026 0.000 1.142 2270 L HN 0.267 nan 8.230 nan 0.000 0.473 2271 Y N 4.628 124.932 120.300 0.007 0.000 2.301 2271 Y HA 0.229 4.778 4.550 -0.002 0.000 0.325 2271 Y C 0.924 176.856 175.900 0.054 0.000 1.203 2271 Y CA -0.131 57.992 58.100 0.039 0.000 1.255 2271 Y CB 0.528 39.000 38.460 0.020 0.000 1.232 2271 Y HN 0.863 nan 8.280 nan 0.000 0.501 2272 E N 1.235 120.896 120.200 -0.899 0.000 2.553 2272 E HA -0.209 4.140 4.350 -0.002 0.000 0.264 2272 E C -1.318 175.155 176.600 -0.211 0.000 1.068 2272 E CA 0.399 56.390 56.400 -0.681 0.000 0.774 2272 E CB -1.175 28.140 29.700 -0.641 0.000 1.349 2272 E HN 0.709 nan 8.360 nan 0.000 0.404 2273 A N 0.418 123.200 122.820 -0.063 0.000 2.313 2273 A HA 0.806 5.124 4.320 -0.002 0.000 0.323 2273 A C -2.501 175.153 177.584 0.116 0.000 1.133 2273 A CA -1.273 50.781 52.037 0.028 0.000 0.847 2273 A CB 0.857 19.875 19.000 0.029 0.000 1.308 2273 A HN -0.001 nan 8.150 nan 0.000 0.475 2274 P HA 0.283 nan 4.420 nan 0.000 0.270 2274 P C 0.386 177.715 177.300 0.047 0.000 1.223 2274 P CA 0.163 63.319 63.100 0.094 0.000 0.785 2274 P CB 0.296 32.029 31.700 0.054 0.000 0.923 2275 G N 0.456 109.254 108.800 -0.004 0.000 2.432 2275 G HA2 0.045 4.004 3.960 -0.002 0.000 0.239 2275 G HA3 0.045 4.004 3.960 -0.002 0.000 0.239 2275 G C 1.276 176.173 174.900 -0.005 0.000 1.291 2275 G CA -0.027 45.037 45.100 -0.061 0.000 0.863 2275 G HN 0.471 nan 8.290 nan 0.000 0.560 2276 S N 1.928 117.653 115.700 0.042 0.000 2.359 2276 S HA -0.207 4.261 4.470 -0.002 0.000 0.224 2276 S C 1.979 176.770 174.600 0.319 0.000 1.035 2276 S CA 1.756 60.051 58.200 0.158 0.000 1.018 2276 S CB -0.430 62.827 63.200 0.095 0.000 0.876 2276 S HN 0.622 nan 8.310 nan 0.000 0.448 2277 F N 2.032 121.998 119.950 0.027 0.000 2.161 2277 F HA -0.156 4.370 4.527 -0.002 0.000 0.300 2277 F C 1.910 177.562 175.800 -0.247 0.000 1.089 2277 F CA 1.869 59.642 58.000 -0.378 0.000 1.282 2277 F CB -0.258 38.057 39.000 -1.141 0.000 1.010 2277 F HN 0.218 nan 8.300 nan 0.000 0.485 2278 D N -0.238 119.987 120.400 -0.293 0.000 2.218 2278 D HA -0.161 4.478 4.640 -0.002 0.000 0.204 2278 D C 2.390 178.564 176.300 -0.210 0.000 0.976 2278 D CA 1.827 55.664 54.000 -0.270 0.000 0.853 2278 D CB -0.453 40.314 40.800 -0.055 0.000 0.939 2278 D HN 0.469 nan 8.370 nan 0.000 0.481 2279 T N -1.517 112.973 114.554 -0.107 0.000 3.054 2279 T HA -0.034 4.315 4.350 -0.002 0.000 0.259 2279 T C 1.961 176.628 174.700 -0.054 0.000 1.092 2279 T CA 0.030 62.099 62.100 -0.052 0.000 1.121 2279 T CB -0.187 68.699 68.868 0.030 0.000 0.912 2279 T HN -0.012 nan 8.240 nan 0.000 0.489 2280 L N 2.710 123.883 121.223 -0.083 0.000 1.989 2280 L HA 0.113 4.452 4.340 -0.002 0.000 0.211 2280 L C -0.807 176.012 176.870 -0.085 0.000 1.071 2280 L CA 2.021 56.834 54.840 -0.045 0.000 0.749 2280 L CB -1.373 40.603 42.059 -0.138 0.000 0.890 2280 L HN 0.132 nan 8.230 nan 0.000 0.431 2281 P HA -0.202 nan 4.420 nan 0.000 0.214 2281 P C 1.566 178.824 177.300 -0.071 0.000 1.163 2281 P CA 2.286 65.317 63.100 -0.116 0.000 0.889 2281 P CB -0.258 31.348 31.700 -0.156 0.000 0.790 2282 A N -1.206 121.564 122.820 -0.082 0.000 1.972 2282 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 2282 A C 2.201 179.761 177.584 -0.041 0.000 1.169 2282 A CA 1.435 53.430 52.037 -0.069 0.000 0.635 2282 A CB -1.583 17.357 19.000 -0.100 0.000 0.810 2282 A HN 0.131 nan 8.150 nan 0.000 0.446 2283 I N -0.479 120.080 120.570 -0.019 0.000 2.233 2283 I HA -0.208 3.961 4.170 -0.002 0.000 0.243 2283 I C 2.955 179.093 176.117 0.035 0.000 1.093 2283 I CA 0.963 62.277 61.300 0.024 0.000 1.380 2283 I CB -0.324 37.715 38.000 0.065 0.000 1.067 2283 I HN 0.324 nan 8.210 nan 0.000 0.413 2284 A N 0.165 123.003 122.820 0.031 0.000 1.940 2284 A HA -0.249 4.069 4.320 -0.002 0.000 0.219 2284 A C 2.339 179.937 177.584 0.024 0.000 1.176 2284 A CA 1.686 53.745 52.037 0.037 0.000 0.631 2284 A CB -0.556 18.464 19.000 0.034 0.000 0.814 2284 A HN 0.420 nan 8.150 nan 0.000 0.446 2285 E N 0.040 120.244 120.200 0.007 0.000 2.085 2285 E HA -0.246 4.103 4.350 -0.002 0.000 0.194 2285 E C 2.215 178.820 176.600 0.009 0.000 0.994 2285 E CA 1.589 57.990 56.400 0.002 0.000 0.801 2285 E CB -0.156 29.537 29.700 -0.012 0.000 0.743 2285 E HN 0.485 nan 8.360 nan 0.000 0.453 2286 R N 0.109 120.616 120.500 0.011 0.000 2.090 2286 R HA -0.030 4.308 4.340 -0.002 0.000 0.228 2286 R C 2.408 178.725 176.300 0.028 0.000 1.110 2286 R CA 1.111 57.222 56.100 0.019 0.000 0.973 2286 R CB -0.624 29.690 30.300 0.023 0.000 0.869 2286 R HN 0.039 nan 8.270 nan 0.000 0.440 2287 V N 1.456 121.391 119.914 0.036 0.000 2.490 2287 V HA -0.193 3.925 4.120 -0.002 0.000 0.250 2287 V C 0.907 177.020 176.094 0.032 0.000 1.061 2287 V CA 1.753 64.078 62.300 0.041 0.000 1.064 2287 V CB -0.920 30.937 31.823 0.056 0.000 0.670 2287 V HN 0.692 nan 8.190 nan 0.000 0.461 2288 N N 0.133 118.850 118.700 0.028 0.000 2.716 2288 N HA -0.298 4.441 4.740 -0.002 0.000 0.250 2288 N C 0.280 175.805 175.510 0.025 0.000 1.033 2288 N CA 0.605 53.669 53.050 0.023 0.000 0.727 2288 N CB -0.609 37.889 38.487 0.018 0.000 0.950 2288 N HN 0.636 nan 8.380 nan 0.000 0.541 2289 K N -2.792 117.628 120.400 0.032 0.000 3.209 2289 K HA -0.289 4.030 4.320 -0.002 0.000 0.289 2289 K C 0.934 177.551 176.600 0.028 0.000 1.191 2289 K CA 1.362 57.670 56.287 0.034 0.000 0.851 2289 K CB -0.786 31.733 32.500 0.031 0.000 1.242 2289 K HN 0.436 nan 8.250 nan 0.000 0.480 2290 R N 0.426 120.940 120.500 0.024 0.000 2.115 2290 R HA -0.038 4.301 4.340 -0.002 0.000 0.230 2290 R C 1.028 177.332 176.300 0.006 0.000 1.111 2290 R CA 1.512 57.619 56.100 0.013 0.000 0.976 2290 R CB 0.250 30.555 30.300 0.010 0.000 0.870 2290 R HN 0.319 nan 8.270 nan 0.000 0.445 2291 V N -4.023 115.900 119.914 0.015 0.000 3.147 2291 V HA 0.533 4.652 4.120 -0.002 0.000 0.306 2291 V C -2.877 173.245 176.094 0.047 0.000 1.209 2291 V CA -3.215 59.085 62.300 0.001 0.000 1.023 2291 V CB 2.204 34.000 31.823 -0.045 0.000 1.059 2291 V HN -0.216 nan 8.190 nan 0.000 0.435 2292 P HA 0.445 nan 4.420 nan 0.000 0.269 2292 P C -0.774 176.661 177.300 0.225 0.000 1.215 2292 P CA 0.151 63.347 63.100 0.159 0.000 0.780 2292 P CB 0.366 32.209 31.700 0.238 0.000 0.898 2293 I N 1.751 122.439 120.570 0.197 0.000 2.406 2293 I HA 0.252 4.421 4.170 -0.002 0.000 0.290 2293 I C -0.452 175.727 176.117 0.102 0.000 0.999 2293 I CA -0.962 60.449 61.300 0.185 0.000 1.124 2293 I CB 1.808 39.898 38.000 0.150 0.000 1.289 2293 I HN -0.040 nan 8.210 nan 0.000 0.441 2294 V N 6.732 126.628 119.914 -0.031 0.000 2.427 2294 V HA 0.353 4.472 4.120 -0.002 0.000 0.286 2294 V C -0.572 175.331 176.094 -0.318 0.000 1.034 2294 V CA -0.597 61.450 62.300 -0.422 0.000 0.893 2294 V CB 1.678 32.719 31.823 -1.302 0.000 0.982 2294 V HN 0.457 nan 8.190 nan 0.000 0.452 2295 F N 5.342 125.121 119.950 -0.285 0.000 2.495 2295 F HA 0.756 5.282 4.527 -0.002 0.000 0.327 2295 F C -0.376 175.396 175.800 -0.045 0.000 1.103 2295 F CA -0.327 57.628 58.000 -0.076 0.000 0.949 2295 F CB 1.540 40.589 39.000 0.082 0.000 1.142 2295 F HN 0.715 nan 8.300 nan 0.000 0.457 2296 D N 1.490 121.259 120.400 -1.052 0.000 2.664 2296 D HA 0.563 5.201 4.640 -0.002 0.000 0.292 2296 D C -1.462 174.379 176.300 -0.765 0.000 1.214 2296 D CA -0.902 52.705 54.000 -0.656 0.000 0.932 2296 D CB 1.652 42.401 40.800 -0.084 0.000 1.420 2296 D HN 0.522 nan 8.370 nan 0.000 0.471 2297 S N -1.067 114.486 115.700 -0.245 0.000 3.866 2297 S HA 0.432 4.901 4.470 -0.002 0.000 0.740 2297 S C 0.502 175.167 174.600 0.109 0.000 0.503 2297 S CA 0.554 58.706 58.200 -0.079 0.000 1.385 2297 S CB -1.530 61.608 63.200 -0.103 0.000 0.755 2297 S HN 1.871 nan 8.310 nan 0.000 0.987 2298 G N -0.328 108.588 108.800 0.194 0.000 2.205 2298 G HA2 -0.139 3.819 3.960 -0.002 0.000 0.180 2298 G HA3 -0.139 3.819 3.960 -0.002 0.000 0.180 2298 G C -0.013 175.186 174.900 0.500 0.000 1.004 2298 G CA -0.269 45.051 45.100 0.366 0.000 0.670 2298 G HN 1.441 nan 8.290 nan 0.000 0.496 2299 V N 2.137 122.272 119.914 0.369 0.000 2.450 2299 V HA 0.355 4.473 4.120 -0.002 0.000 0.281 2299 V C 1.364 177.573 176.094 0.190 0.000 1.019 2299 V CA 0.421 62.840 62.300 0.200 0.000 1.062 2299 V CB 1.028 32.895 31.823 0.072 0.000 0.979 2299 V HN 0.365 nan 8.190 nan 0.000 0.477 2300 R N 3.717 124.378 120.500 0.269 0.000 2.556 2300 R HA 0.352 4.691 4.340 -0.002 0.000 0.276 2300 R C 0.436 176.636 176.300 -0.166 0.000 0.931 2300 R CA -0.006 56.113 56.100 0.032 0.000 1.061 2300 R CB 0.897 30.948 30.300 -0.415 0.000 1.432 2300 R HN 0.563 nan 8.270 nan 0.000 0.547 2301 R N -1.320 118.997 120.500 -0.304 0.000 2.774 2301 R HA 0.383 4.722 4.340 -0.002 0.000 0.272 2301 R C 0.807 176.914 176.300 -0.321 0.000 1.000 2301 R CA -0.255 55.535 56.100 -0.518 0.000 0.906 2301 R CB 1.421 31.163 30.300 -0.930 0.000 1.227 2301 R HN 0.008 nan 8.270 nan 0.000 0.468 2302 G N 0.728 109.361 108.800 -0.279 0.000 2.432 2302 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.219 2302 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.219 2302 G C 0.771 175.564 174.900 -0.178 0.000 1.135 2302 G CA 0.804 45.813 45.100 -0.153 0.000 0.767 2302 G HN 0.556 nan 8.290 nan 0.000 0.550 2303 E N 0.107 120.143 120.200 -0.273 0.000 2.118 2303 E HA -0.084 4.265 4.350 -0.002 0.000 0.195 2303 E C 2.081 178.552 176.600 -0.216 0.000 0.992 2303 E CA 1.134 57.412 56.400 -0.203 0.000 0.804 2303 E CB -0.337 29.258 29.700 -0.176 0.000 0.741 2303 E HN 0.756 nan 8.360 nan 0.000 0.458 2304 H N -0.860 117.895 119.070 -0.525 0.000 2.357 2304 H HA -0.049 4.506 4.556 -0.002 0.000 0.301 2304 H C 2.067 177.033 175.328 -0.603 0.000 1.082 2304 H CA 0.925 56.323 56.048 -1.084 0.000 1.342 2304 H CB 0.103 28.827 29.762 -1.729 0.000 1.389 2304 H HN -0.019 nan 8.280 nan 0.000 0.511 2305 V N 1.378 121.186 119.914 -0.177 0.000 2.255 2305 V HA -0.320 3.799 4.120 -0.002 0.000 0.247 2305 V C 2.765 178.861 176.094 0.003 0.000 1.051 2305 V CA 1.726 64.008 62.300 -0.029 0.000 1.018 2305 V CB -1.011 30.844 31.823 0.053 0.000 0.641 2305 V HN 0.552 nan 8.190 nan 0.000 0.445 2306 A N -0.098 122.715 122.820 -0.011 0.000 1.873 2306 A HA -0.309 4.009 4.320 -0.002 0.000 0.218 2306 A C 2.301 179.918 177.584 0.056 0.000 1.193 2306 A CA 2.443 54.495 52.037 0.024 0.000 0.629 2306 A CB -0.564 18.445 19.000 0.015 0.000 0.826 2306 A HN 0.567 nan 8.150 nan 0.000 0.447 2307 K N -0.551 119.872 120.400 0.039 0.000 2.057 2307 K HA -0.056 4.263 4.320 -0.002 0.000 0.207 2307 K C 2.314 179.036 176.600 0.203 0.000 1.049 2307 K CA 1.123 57.482 56.287 0.120 0.000 0.931 2307 K CB -0.327 32.208 32.500 0.059 0.000 0.714 2307 K HN 0.468 nan 8.250 nan 0.000 0.440 2308 A N 1.035 123.935 122.820 0.135 0.000 1.898 2308 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 2308 A C 2.041 179.697 177.584 0.120 0.000 1.181 2308 A CA 1.228 53.339 52.037 0.123 0.000 0.620 2308 A CB -0.470 18.551 19.000 0.035 0.000 0.819 2308 A HN 0.095 nan 8.150 nan 0.000 0.442 2309 L N -0.302 120.984 121.223 0.104 0.000 2.042 2309 L HA -0.140 4.199 4.340 -0.002 0.000 0.210 2309 L C 2.910 179.838 176.870 0.097 0.000 1.076 2309 L CA 1.930 56.824 54.840 0.091 0.000 0.749 2309 L CB -0.737 41.366 42.059 0.074 0.000 0.893 2309 L HN 0.387 nan 8.230 nan 0.000 0.432 2310 A N -2.124 120.766 122.820 0.117 0.000 2.121 2310 A HA -0.084 4.235 4.320 -0.002 0.000 0.218 2310 A C 2.222 179.879 177.584 0.121 0.000 1.154 2310 A CA 1.607 53.716 52.037 0.120 0.000 0.679 2310 A CB -0.387 18.698 19.000 0.142 0.000 0.795 2310 A HN 0.407 nan 8.150 nan 0.000 0.458 2311 S N -2.120 113.662 115.700 0.137 0.000 2.540 2311 S HA 0.421 4.890 4.470 -0.002 0.000 0.218 2311 S C 1.220 175.848 174.600 0.047 0.000 0.977 2311 S CA 0.599 58.853 58.200 0.090 0.000 0.918 2311 S CB 0.577 63.846 63.200 0.115 0.000 0.806 2311 S HN 1.380 nan 8.310 nan 0.000 0.496 2312 G N 1.038 109.877 108.800 0.065 0.000 2.296 2312 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.188 2312 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.188 2312 G C 0.135 175.083 174.900 0.080 0.000 1.000 2312 G CA -0.313 44.823 45.100 0.060 0.000 0.672 2312 G HN 0.715 nan 8.290 nan 0.000 0.483 2313 A N 0.453 123.329 122.820 0.094 0.000 2.340 2313 A HA 0.614 4.933 4.320 -0.002 0.000 0.268 2313 A C 0.986 178.627 177.584 0.095 0.000 1.100 2313 A CA 0.633 52.741 52.037 0.118 0.000 0.803 2313 A CB 0.448 19.546 19.000 0.163 0.000 1.043 2313 A HN 0.131 nan 8.150 nan 0.000 0.488 2314 D N -0.201 120.253 120.400 0.091 0.000 2.216 2314 D HA 0.107 4.745 4.640 -0.002 0.000 0.208 2314 D C 0.736 177.068 176.300 0.053 0.000 0.960 2314 D CA 1.904 55.950 54.000 0.076 0.000 0.861 2314 D CB 0.265 41.123 40.800 0.096 0.000 0.985 2314 D HN 0.512 nan 8.370 nan 0.000 0.493 2315 V N -1.458 118.473 119.914 0.029 0.000 3.181 2315 V HA 0.650 4.768 4.120 -0.002 0.000 0.308 2315 V C -0.250 175.834 176.094 -0.016 0.000 1.214 2315 V CA -1.154 61.141 62.300 -0.009 0.000 1.053 2315 V CB 2.010 33.788 31.823 -0.074 0.000 1.069 2315 V HN -0.096 nan 8.190 nan 0.000 0.441 2316 V N -1.160 118.757 119.914 0.004 0.000 2.994 2316 V HA 1.051 5.170 4.120 -0.002 0.000 0.318 2316 V C 0.252 176.270 176.094 -0.126 0.000 1.085 2316 V CA -0.241 62.065 62.300 0.009 0.000 0.998 2316 V CB 1.334 33.239 31.823 0.135 0.000 1.063 2316 V HN 2.040 nan 8.190 nan 0.000 0.447 2317 A N 3.348 126.065 122.820 -0.173 0.000 2.330 2317 A HA 0.861 5.180 4.320 -0.002 0.000 0.327 2317 A C -0.585 176.923 177.584 -0.126 0.000 1.155 2317 A CA -0.819 51.141 52.037 -0.127 0.000 0.803 2317 A CB 0.899 19.911 19.000 0.021 0.000 1.208 2317 A HN 0.961 nan 8.150 nan 0.000 0.477 2318 L N 2.160 123.272 121.223 -0.185 0.000 2.334 2318 L HA 0.698 5.036 4.340 -0.002 0.000 0.275 2318 L C 1.040 177.803 176.870 -0.178 0.000 1.036 2318 L CA -0.196 54.475 54.840 -0.281 0.000 0.807 2318 L CB 1.828 43.591 42.059 -0.493 0.000 1.231 2318 L HN 0.916 nan 8.230 nan 0.000 0.438 2319 G N 0.804 109.494 108.800 -0.184 0.000 2.825 2319 G HA2 0.163 4.121 3.960 -0.002 0.000 0.191 2319 G HA3 0.163 4.121 3.960 -0.002 0.000 0.191 2319 G C 0.987 175.719 174.900 -0.279 0.000 1.708 2319 G CA -0.296 44.687 45.100 -0.195 0.000 0.813 2319 G HN 0.522 nan 8.290 nan 0.000 0.799 2320 R N 1.397 121.701 120.500 -0.326 0.000 2.136 2320 R HA -0.128 4.211 4.340 -0.002 0.000 0.242 2320 R C -0.133 175.753 176.300 -0.691 0.000 1.131 2320 R CA 2.401 58.135 56.100 -0.610 0.000 0.937 2320 R CB -1.278 28.719 30.300 -0.506 0.000 0.863 2320 R HN 0.316 nan 8.270 nan 0.000 0.435 2321 P HA -0.122 nan 4.420 nan 0.000 0.216 2321 P C 1.502 178.762 177.300 -0.067 0.000 1.150 2321 P CA 1.353 64.422 63.100 -0.052 0.000 0.843 2321 P CB -0.093 31.654 31.700 0.077 0.000 0.787 2322 V N -0.368 119.473 119.914 -0.122 0.000 2.358 2322 V HA -0.187 3.932 4.120 -0.002 0.000 0.246 2322 V C 2.658 178.688 176.094 -0.108 0.000 1.047 2322 V CA 1.330 63.577 62.300 -0.089 0.000 1.035 2322 V CB -1.290 30.472 31.823 -0.102 0.000 0.658 2322 V HN -0.009 nan 8.190 nan 0.000 0.452 2323 L N -0.700 120.376 121.223 -0.245 0.000 2.083 2323 L HA -0.086 4.253 4.340 -0.002 0.000 0.209 2323 L C 2.200 179.035 176.870 -0.057 0.000 1.083 2323 L CA 1.935 56.635 54.840 -0.234 0.000 0.752 2323 L CB -1.014 40.800 42.059 -0.407 0.000 0.899 2323 L HN 0.254 nan 8.230 nan 0.000 0.433 2324 F N -0.795 119.163 119.950 0.013 0.000 2.259 2324 F HA 0.019 4.544 4.527 -0.002 0.000 0.298 2324 F C 2.442 178.258 175.800 0.027 0.000 1.088 2324 F CA 0.761 58.792 58.000 0.052 0.000 1.358 2324 F CB -1.647 37.382 39.000 0.047 0.000 1.040 2324 F HN 0.102 nan 8.300 nan 0.000 0.505 2325 G N -0.088 108.801 108.800 0.149 0.000 2.402 2325 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.216 2325 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.216 2325 G C 1.742 176.666 174.900 0.041 0.000 1.162 2325 G CA 0.628 45.769 45.100 0.069 0.000 0.777 2325 G HN 0.314 nan 8.290 nan 0.000 0.539 2326 L N 1.214 122.461 121.223 0.039 0.000 2.046 2326 L HA 0.117 4.455 4.340 -0.002 0.000 0.208 2326 L C 3.125 180.037 176.870 0.070 0.000 1.077 2326 L CA 2.005 56.843 54.840 -0.002 0.000 0.747 2326 L CB -0.454 41.629 42.059 0.041 0.000 0.896 2326 L HN 0.236 nan 8.230 nan 0.000 0.432 2327 A N -1.066 121.869 122.820 0.191 0.000 1.933 2327 A HA -0.158 4.161 4.320 -0.002 0.000 0.218 2327 A C 2.013 179.725 177.584 0.212 0.000 1.175 2327 A CA 1.699 53.898 52.037 0.270 0.000 0.628 2327 A CB -0.671 18.513 19.000 0.307 0.000 0.814 2327 A HN 0.382 nan 8.150 nan 0.000 0.444 2328 L N -1.792 119.511 121.223 0.134 0.000 2.313 2328 L HA 0.149 4.487 4.340 -0.002 0.000 0.214 2328 L C 1.805 178.697 176.870 0.037 0.000 1.119 2328 L CA 1.712 56.597 54.840 0.076 0.000 0.809 2328 L CB -0.789 41.297 42.059 0.046 0.000 0.933 2328 L HN 0.501 nan 8.230 nan 0.000 0.449 2329 G N -2.508 106.285 108.800 -0.012 0.000 5.103 2329 G HA2 0.427 4.385 3.960 -0.002 0.000 0.233 2329 G HA3 0.427 4.385 3.960 -0.002 0.000 0.233 2329 G C 0.746 175.483 174.900 -0.272 0.000 0.910 2329 G CA 0.388 45.423 45.100 -0.109 0.000 0.763 2329 G HN 0.505 nan 8.290 nan 0.000 0.290 2330 G N 0.858 109.378 108.800 -0.465 0.000 2.574 2330 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.282 2330 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.282 2330 G C 1.353 176.046 174.900 -0.344 0.000 1.257 2330 G CA 0.796 45.400 45.100 -0.827 0.000 0.956 2330 G HN 1.100 nan 8.290 nan 0.000 0.560 2331 W N 0.578 121.723 121.300 -0.257 0.000 2.364 2331 W HA -0.072 4.587 4.660 -0.002 0.000 0.281 2331 W C 1.963 178.422 176.519 -0.100 0.000 1.219 2331 W CA 1.656 58.927 57.345 -0.122 0.000 1.220 2331 W CB -0.675 28.737 29.460 -0.079 0.000 1.127 2331 W HN 0.680 nan 8.180 nan 0.000 0.556 2332 Q N 0.634 119.791 119.800 -1.072 0.000 2.137 2332 Q HA -0.009 4.330 4.340 -0.002 0.000 0.198 2332 Q C 2.769 178.471 176.000 -0.495 0.000 0.960 2332 Q CA 1.558 56.566 55.803 -1.326 0.000 0.847 2332 Q CB -0.555 26.998 28.738 -1.974 0.000 0.915 2332 Q HN 0.435 nan 8.270 nan 0.000 0.448 2333 G N 0.874 109.471 108.800 -0.338 0.000 2.402 2333 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.216 2333 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.216 2333 G C 1.509 176.400 174.900 -0.014 0.000 1.162 2333 G CA 0.800 45.829 45.100 -0.118 0.000 0.777 2333 G HN 0.389 nan 8.290 nan 0.000 0.539 2334 A N 0.104 122.922 122.820 -0.003 0.000 1.902 2334 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 2334 A C 2.203 179.861 177.584 0.123 0.000 1.181 2334 A CA 1.697 53.771 52.037 0.061 0.000 0.623 2334 A CB -0.773 18.277 19.000 0.084 0.000 0.818 2334 A HN 0.478 nan 8.150 nan 0.000 0.443 2335 Y N 1.219 121.574 120.300 0.093 0.000 2.207 2335 Y HA -0.219 4.330 4.550 -0.003 0.000 0.287 2335 Y C 2.689 178.693 175.900 0.173 0.000 1.156 2335 Y CA 1.826 60.043 58.100 0.195 0.000 1.182 2335 Y CB -0.261 38.389 38.460 0.315 0.000 0.979 2335 Y HN 0.304 nan 8.280 nan 0.000 0.521 2336 S N -0.760 115.107 115.700 0.279 0.000 2.382 2336 S HA -0.185 4.283 4.470 -0.002 0.000 0.228 2336 S C 2.030 176.667 174.600 0.062 0.000 1.027 2336 S CA 1.345 59.666 58.200 0.203 0.000 0.991 2336 S CB -0.552 62.763 63.200 0.191 0.000 0.823 2336 S HN 0.344 nan 8.310 nan 0.000 0.469 2337 V N 2.056 121.984 119.914 0.023 0.000 2.307 2337 V HA -0.124 3.995 4.120 -0.002 0.000 0.245 2337 V C 2.136 178.254 176.094 0.041 0.000 1.045 2337 V CA 1.436 63.746 62.300 0.016 0.000 1.024 2337 V CB -0.746 31.089 31.823 0.021 0.000 0.651 2337 V HN 0.419 nan 8.190 nan 0.000 0.449 2338 L N 0.101 121.238 121.223 -0.144 0.000 2.017 2338 L HA -0.206 4.132 4.340 -0.002 0.000 0.208 2338 L C 2.416 179.049 176.870 -0.395 0.000 1.073 2338 L CA 2.103 56.680 54.840 -0.439 0.000 0.745 2338 L CB -0.827 40.762 42.059 -0.783 0.000 0.894 2338 L HN 0.373 nan 8.230 nan 0.000 0.432 2339 D N -0.526 119.694 120.400 -0.300 0.000 2.116 2339 D HA -0.298 4.340 4.640 -0.002 0.000 0.193 2339 D C 2.077 178.394 176.300 0.028 0.000 0.998 2339 D CA 1.402 55.376 54.000 -0.045 0.000 0.836 2339 D CB -0.149 40.610 40.800 -0.068 0.000 0.951 2339 D HN 0.333 nan 8.370 nan 0.000 0.449 2340 Y N -0.202 120.031 120.300 -0.111 0.000 2.081 2340 Y HA -0.252 4.296 4.550 -0.003 0.000 0.280 2340 Y C 1.919 177.698 175.900 -0.202 0.000 1.163 2340 Y CA 1.813 59.807 58.100 -0.176 0.000 1.135 2340 Y CB -0.730 37.559 38.460 -0.285 0.000 0.970 2340 Y HN -0.008 nan 8.280 nan 0.000 0.498 2341 F N 0.558 120.321 119.950 -0.311 0.000 2.171 2341 F HA -0.222 4.304 4.527 -0.002 0.000 0.300 2341 F C 2.772 178.471 175.800 -0.169 0.000 1.090 2341 F CA 1.988 59.717 58.000 -0.452 0.000 1.293 2341 F CB -0.712 37.773 39.000 -0.857 0.000 1.013 2341 F HN 0.174 nan 8.300 nan 0.000 0.486 2342 Q N 0.991 120.957 119.800 0.276 0.000 2.046 2342 Q HA -0.193 4.146 4.340 -0.002 0.000 0.200 2342 Q C 2.039 178.101 176.000 0.104 0.000 0.975 2342 Q CA 1.620 57.636 55.803 0.354 0.000 0.836 2342 Q CB -0.144 28.908 28.738 0.523 0.000 0.896 2342 Q HN 0.355 nan 8.270 nan 0.000 0.428 2343 K N 0.203 120.593 120.400 -0.016 0.000 2.155 2343 K HA -0.120 4.199 4.320 -0.002 0.000 0.203 2343 K C 1.777 178.270 176.600 -0.178 0.000 1.052 2343 K CA 1.217 57.454 56.287 -0.083 0.000 0.948 2343 K CB -0.007 32.440 32.500 -0.089 0.000 0.728 2343 K HN 0.135 nan 8.250 nan 0.000 0.448 2344 D N 0.739 120.925 120.400 -0.357 0.000 2.084 2344 D HA -0.144 4.495 4.640 -0.002 0.000 0.196 2344 D C 1.685 177.862 176.300 -0.206 0.000 0.985 2344 D CA 0.675 54.420 54.000 -0.424 0.000 0.826 2344 D CB -0.012 40.307 40.800 -0.803 0.000 0.978 2344 D HN -0.052 nan 8.370 nan 0.000 0.456 2345 L N 0.368 121.528 121.223 -0.105 0.000 2.042 2345 L HA -0.150 4.189 4.340 -0.002 0.000 0.210 2345 L C 2.174 179.035 176.870 -0.016 0.000 1.076 2345 L CA 1.834 56.666 54.840 -0.014 0.000 0.749 2345 L CB -1.033 41.086 42.059 0.099 0.000 0.893 2345 L HN 0.032 nan 8.230 nan 0.000 0.432 2346 T N -0.384 114.161 114.554 -0.014 0.000 2.720 2346 T HA -0.234 4.115 4.350 -0.002 0.000 0.268 2346 T C 1.980 176.662 174.700 -0.030 0.000 1.037 2346 T CA 1.623 63.715 62.100 -0.013 0.000 1.144 2346 T CB -0.291 68.572 68.868 -0.008 0.000 0.864 2346 T HN 0.390 nan 8.240 nan 0.000 0.444 2347 R N 0.739 121.206 120.500 -0.056 0.000 2.073 2347 R HA -0.090 4.248 4.340 -0.002 0.000 0.234 2347 R C 2.306 178.580 176.300 -0.043 0.000 1.134 2347 R CA 1.382 57.450 56.100 -0.054 0.000 0.952 2347 R CB -0.593 29.661 30.300 -0.076 0.000 0.850 2347 R HN 0.255 nan 8.270 nan 0.000 0.433 2348 V N 1.608 121.491 119.914 -0.052 0.000 2.343 2348 V HA -0.302 3.817 4.120 -0.002 0.000 0.247 2348 V C 2.525 178.613 176.094 -0.010 0.000 1.051 2348 V CA 2.172 64.450 62.300 -0.037 0.000 1.036 2348 V CB -0.434 31.360 31.823 -0.049 0.000 0.654 2348 V HN 0.391 nan 8.190 nan 0.000 0.451 2349 M N -0.613 118.983 119.600 -0.005 0.000 2.080 2349 M HA -0.279 4.200 4.480 -0.002 0.000 0.260 2349 M C 2.399 178.702 176.300 0.006 0.000 1.068 2349 M CA 2.344 57.648 55.300 0.007 0.000 1.109 2349 M CB -0.574 32.031 32.600 0.007 0.000 1.342 2349 M HN 0.319 nan 8.290 nan 0.000 0.405 2350 Q N 1.072 120.871 119.800 -0.002 0.000 2.061 2350 Q HA -0.129 4.210 4.340 -0.002 0.000 0.204 2350 Q C 1.716 177.717 176.000 0.002 0.000 0.984 2350 Q CA 1.883 57.684 55.803 -0.002 0.000 0.846 2350 Q CB -0.469 28.264 28.738 -0.008 0.000 0.902 2350 Q HN 0.571 nan 8.270 nan 0.000 0.421 2351 L N -0.213 121.010 121.223 -0.000 0.000 2.313 2351 L HA -0.035 4.304 4.340 -0.002 0.000 0.214 2351 L C 2.051 178.934 176.870 0.023 0.000 1.119 2351 L CA 1.428 56.272 54.840 0.006 0.000 0.809 2351 L CB -0.544 41.513 42.059 -0.004 0.000 0.933 2351 L HN 0.408 nan 8.230 nan 0.000 0.449 2352 T N -4.124 110.447 114.554 0.029 0.000 3.081 2352 T HA 0.210 4.559 4.350 -0.002 0.000 0.250 2352 T C 1.392 176.120 174.700 0.046 0.000 1.100 2352 T CA 0.450 62.582 62.100 0.052 0.000 1.038 2352 T CB 0.505 69.410 68.868 0.061 0.000 0.962 2352 T HN 0.409 nan 8.240 nan 0.000 0.516 2353 G N 1.104 109.922 108.800 0.029 0.000 2.137 2353 G HA2 -0.217 3.741 3.960 -0.002 0.000 0.237 2353 G HA3 -0.217 3.741 3.960 -0.002 0.000 0.237 2353 G C -0.018 174.895 174.900 0.022 0.000 1.002 2353 G CA -0.054 45.059 45.100 0.022 0.000 0.702 2353 G HN 0.694 nan 8.290 nan 0.000 0.515 2354 S N 0.003 115.717 115.700 0.023 0.000 2.422 2354 S HA 0.443 4.912 4.470 -0.002 0.000 0.298 2354 S C 0.956 175.564 174.600 0.014 0.000 1.118 2354 S CA -0.197 58.016 58.200 0.022 0.000 1.083 2354 S CB 1.796 65.012 63.200 0.027 0.000 0.971 2354 S HN 0.393 nan 8.310 nan 0.000 0.478 2355 Q N 3.130 122.937 119.800 0.012 0.000 2.245 2355 Q HA 0.001 4.339 4.340 -0.002 0.000 0.201 2355 Q C 0.217 176.221 176.000 0.006 0.000 0.955 2355 Q CA 1.396 57.203 55.803 0.007 0.000 0.870 2355 Q CB 0.075 28.817 28.738 0.006 0.000 0.945 2355 Q HN 0.881 nan 8.270 nan 0.000 0.461 2356 N N -4.237 114.468 118.700 0.009 0.000 3.039 2356 N HA 0.157 4.896 4.740 -0.002 0.000 0.257 2356 N C -0.124 175.394 175.510 0.012 0.000 1.497 2356 N CA -0.171 52.883 53.050 0.007 0.000 0.861 2356 N CB 0.421 38.911 38.487 0.005 0.000 1.479 2356 N HN -0.237 nan 8.380 nan 0.000 0.547 2357 V N -0.005 119.915 119.914 0.010 0.000 2.515 2357 V HA -0.119 3.999 4.120 -0.002 0.000 0.250 2357 V C 1.727 177.835 176.094 0.024 0.000 1.058 2357 V CA 1.615 63.924 62.300 0.015 0.000 1.064 2357 V CB -0.745 31.081 31.823 0.006 0.000 0.675 2357 V HN 0.635 nan 8.190 nan 0.000 0.461 2358 E N -0.056 120.157 120.200 0.021 0.000 2.107 2358 E HA -0.166 4.182 4.350 -0.002 0.000 0.191 2358 E C 1.944 178.561 176.600 0.029 0.000 0.982 2358 E CA 1.006 57.421 56.400 0.026 0.000 0.809 2358 E CB -0.344 29.369 29.700 0.022 0.000 0.756 2358 E HN 0.586 nan 8.360 nan 0.000 0.459 2359 D N 0.886 121.301 120.400 0.026 0.000 2.123 2359 D HA -0.134 4.504 4.640 -0.002 0.000 0.196 2359 D C 2.179 178.503 176.300 0.039 0.000 0.992 2359 D CA 0.631 54.648 54.000 0.029 0.000 0.833 2359 D CB -0.297 40.517 40.800 0.024 0.000 0.954 2359 D HN 0.168 nan 8.370 nan 0.000 0.455 2360 L N 0.554 121.800 121.223 0.040 0.000 2.042 2360 L HA -0.174 4.164 4.340 -0.002 0.000 0.210 2360 L C 2.250 179.157 176.870 0.061 0.000 1.076 2360 L CA 1.201 56.071 54.840 0.051 0.000 0.749 2360 L CB -0.344 41.743 42.059 0.047 0.000 0.893 2360 L HN -0.006 nan 8.230 nan 0.000 0.432 2361 K N -0.159 120.274 120.400 0.054 0.000 2.360 2361 K HA -0.080 4.239 4.320 -0.002 0.000 0.201 2361 K C 1.667 178.302 176.600 0.059 0.000 1.046 2361 K CA 1.040 57.362 56.287 0.058 0.000 0.945 2361 K CB -0.214 32.317 32.500 0.051 0.000 0.750 2361 K HN 0.402 nan 8.250 nan 0.000 0.464 2362 G N 0.373 109.205 108.800 0.054 0.000 3.277 2362 G HA2 0.087 4.046 3.960 -0.002 0.000 0.243 2362 G HA3 0.087 4.046 3.960 -0.002 0.000 0.243 2362 G C -0.079 174.858 174.900 0.062 0.000 1.107 2362 G CA -0.359 44.771 45.100 0.051 0.000 0.771 2362 G HN -0.048 nan 8.290 nan 0.000 0.544 2363 L N 1.827 123.098 121.223 0.080 0.000 2.410 2363 L HA 0.294 4.633 4.340 -0.002 0.000 0.273 2363 L C -0.204 176.744 176.870 0.130 0.000 1.152 2363 L CA -0.781 54.121 54.840 0.103 0.000 0.855 2363 L CB 0.737 42.867 42.059 0.117 0.000 1.129 2363 L HN 0.018 nan 8.230 nan 0.000 0.463 2364 D N 2.669 123.155 120.400 0.143 0.000 2.443 2364 D HA 0.269 4.908 4.640 -0.002 0.000 0.239 2364 D C -0.319 176.185 176.300 0.340 0.000 1.136 2364 D CA 0.128 54.249 54.000 0.202 0.000 0.879 2364 D CB 0.714 41.599 40.800 0.142 0.000 1.195 2364 D HN 0.067 nan 8.370 nan 0.000 0.443 2365 L N 1.953 123.371 121.223 0.326 0.000 2.370 2365 L HA 0.418 4.757 4.340 -0.002 0.000 0.266 2365 L C -0.714 176.346 176.870 0.316 0.000 1.002 2365 L CA -0.950 54.072 54.840 0.304 0.000 0.818 2365 L CB 1.394 43.593 42.059 0.232 0.000 1.325 2365 L HN 0.282 nan 8.230 nan 0.000 0.418 2366 F N 2.638 122.574 119.950 -0.024 0.000 2.424 2366 F HA 0.298 4.824 4.527 -0.002 0.000 0.356 2366 F C 0.420 176.244 175.800 0.040 0.000 1.110 2366 F CA -0.338 57.620 58.000 -0.071 0.000 1.161 2366 F CB 0.503 39.248 39.000 -0.424 0.000 1.115 2366 F HN 0.422 nan 8.300 nan 0.000 0.507 2367 D N 5.502 125.685 120.400 -0.361 0.000 2.343 2367 D HA -0.008 4.631 4.640 -0.002 0.000 0.255 2367 D C -0.311 175.843 176.300 -0.244 0.000 1.187 2367 D CA 0.245 54.108 54.000 -0.229 0.000 0.875 2367 D CB 0.561 41.221 40.800 -0.233 0.000 1.136 2367 D HN 0.630 nan 8.370 nan 0.000 0.469 2368 N N 3.708 122.466 118.700 0.096 0.000 2.609 2368 N HA 0.139 4.877 4.740 -0.002 0.000 0.234 2368 N C -1.828 173.715 175.510 0.055 0.000 1.001 2368 N CA -1.702 51.486 53.050 0.230 0.000 0.926 2368 N CB 1.513 40.282 38.487 0.469 0.000 1.130 2368 N HN 0.086 nan 8.380 nan 0.000 0.510 2369 P HA -0.041 nan 4.420 nan 0.000 0.241 2369 P C 0.356 177.487 177.300 -0.281 0.000 1.191 2369 P CA 0.561 63.506 63.100 -0.259 0.000 0.771 2369 P CB 0.041 31.514 31.700 -0.377 0.000 0.929 2370 Y N 0.670 120.931 120.300 -0.065 0.000 2.457 2370 Y HA 0.145 4.694 4.550 -0.002 0.000 0.292 2370 Y C 1.998 177.924 175.900 0.044 0.000 1.125 2370 Y CA 0.972 59.031 58.100 -0.069 0.000 1.254 2370 Y CB -0.708 37.604 38.460 -0.247 0.000 1.012 2370 Y HN 0.097 nan 8.280 nan 0.000 0.555 2371 G N -0.160 108.793 108.800 0.255 0.000 2.593 2371 G HA2 -0.407 3.552 3.960 -0.002 0.000 0.237 2371 G HA3 -0.407 3.552 3.960 -0.002 0.000 0.237 2371 G C 0.373 175.507 174.900 0.391 0.000 1.312 2371 G CA 0.297 45.593 45.100 0.326 0.000 0.896 2371 G HN 0.315 nan 8.290 nan 0.000 0.574 2372 Y N 1.044 121.497 120.300 0.254 0.000 2.263 2372 Y HA 0.055 4.604 4.550 -0.002 0.000 0.292 2372 Y C 2.921 178.938 175.900 0.194 0.000 1.130 2372 Y CA 2.406 60.627 58.100 0.202 0.000 1.179 2372 Y CB 0.165 38.702 38.460 0.128 0.000 0.998 2372 Y HN 0.473 nan 8.280 nan 0.000 0.532 2373 E N -0.775 119.553 120.200 0.214 0.000 2.435 2373 E HA -0.095 4.254 4.350 -0.002 0.000 0.195 2373 E C -0.392 176.306 176.600 0.164 0.000 1.029 2373 E CA 0.422 56.900 56.400 0.130 0.000 0.865 2373 E CB -0.321 29.476 29.700 0.162 0.000 0.833 2373 E HN 0.435 nan 8.360 nan 0.000 0.510 2374 Y N 0.000 120.320 120.300 0.033 0.000 2.660 2374 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 2374 Y CA 0.000 58.091 58.100 -0.015 0.000 1.940 2374 Y CB 0.000 38.406 38.460 -0.090 0.000 1.050 2374 Y HN 0.000 nan 8.280 nan 0.000 0.758