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 2btv_1_R DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.253 176.300 -0.078 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.052 0.000 0.988 1 M CB 0.000 32.576 32.600 -0.041 0.000 1.302 2 D N 0.725 121.069 120.400 -0.094 0.000 2.117 2 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 2 D C 1.751 177.932 176.300 -0.199 0.000 0.987 2 D CA 2.601 56.527 54.000 -0.123 0.000 0.829 2 D CB -0.681 40.050 40.800 -0.115 0.000 0.961 2 D HN 0.729 nan 8.370 nan 0.000 0.460 3 T N -0.246 114.163 114.554 -0.242 0.000 2.685 3 T HA -0.216 4.135 4.350 -0.000 0.000 0.268 3 T C 2.213 176.731 174.700 -0.303 0.000 1.034 3 T CA 1.102 62.956 62.100 -0.410 0.000 1.149 3 T CB -0.775 67.948 68.868 -0.241 0.000 0.860 3 T HN 0.197 nan 8.240 nan 0.000 0.449 4 I N 2.035 122.516 120.570 -0.149 0.000 2.208 4 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 4 I C 3.257 179.325 176.117 -0.082 0.000 1.097 4 I CA 1.306 62.559 61.300 -0.078 0.000 1.363 4 I CB -0.729 37.244 38.000 -0.045 0.000 1.051 4 I HN 0.385 nan 8.210 nan 0.000 0.413 5 A N 0.825 123.583 122.820 -0.103 0.000 1.877 5 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 5 A C 2.588 180.114 177.584 -0.097 0.000 1.186 5 A CA 1.893 53.879 52.037 -0.086 0.000 0.620 5 A CB -0.981 17.967 19.000 -0.087 0.000 0.822 5 A HN 0.422 nan 8.150 nan 0.000 0.443 6 A N -0.095 122.620 122.820 -0.176 0.000 1.892 6 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 6 A C 2.247 179.800 177.584 -0.052 0.000 1.188 6 A CA 1.866 53.796 52.037 -0.179 0.000 0.631 6 A CB -0.571 18.135 19.000 -0.490 0.000 0.822 6 A HN 0.582 nan 8.150 nan 0.000 0.447 7 R N -0.720 119.748 120.500 -0.053 0.000 2.103 7 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 7 R C 2.588 178.913 176.300 0.042 0.000 1.132 7 R CA 1.486 57.631 56.100 0.076 0.000 0.925 7 R CB -0.717 29.630 30.300 0.078 0.000 0.842 7 R HN 0.518 nan 8.270 nan 0.000 0.430 8 A N 1.452 124.276 122.820 0.007 0.000 1.903 8 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 8 A C 2.145 179.724 177.584 -0.007 0.000 1.191 8 A CA 1.650 53.684 52.037 -0.004 0.000 0.638 8 A CB -0.731 18.261 19.000 -0.013 0.000 0.823 8 A HN 0.296 nan 8.150 nan 0.000 0.451 9 L N -0.107 121.113 121.223 -0.005 0.000 1.970 9 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 9 L C 2.489 179.370 176.870 0.019 0.000 1.071 9 L CA 3.041 57.883 54.840 0.003 0.000 0.751 9 L CB -1.393 40.667 42.059 0.002 0.000 0.889 9 L HN 0.431 nan 8.230 nan 0.000 0.432 10 T N -0.632 113.947 114.554 0.042 0.000 2.624 10 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 10 T C 1.966 176.683 174.700 0.029 0.000 1.041 10 T CA 2.098 64.232 62.100 0.057 0.000 1.159 10 T CB -0.768 68.162 68.868 0.103 0.000 0.863 10 T HN 0.258 nan 8.240 nan 0.000 0.434 11 V N 1.665 121.589 119.914 0.017 0.000 2.252 11 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 11 V C 2.528 178.608 176.094 -0.024 0.000 1.056 11 V CA 2.144 64.437 62.300 -0.011 0.000 1.022 11 V CB -0.740 31.063 31.823 -0.033 0.000 0.641 11 V HN 0.492 nan 8.190 nan 0.000 0.445 12 M N -0.601 118.984 119.600 -0.025 0.000 2.065 12 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 12 M C 2.453 178.750 176.300 -0.005 0.000 1.071 12 M CA 1.983 57.269 55.300 -0.024 0.000 1.109 12 M CB -0.646 31.941 32.600 -0.022 0.000 1.313 12 M HN 0.187 nan 8.290 nan 0.000 0.408 13 R N 0.232 120.735 120.500 0.005 0.000 2.170 13 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 13 R C 2.263 178.567 176.300 0.006 0.000 1.145 13 R CA 1.396 57.502 56.100 0.011 0.000 0.984 13 R CB -0.550 29.762 30.300 0.020 0.000 0.869 13 R HN 0.430 nan 8.270 nan 0.000 0.455 14 A N 0.356 123.177 122.820 0.002 0.000 1.898 14 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 14 A C 2.283 179.861 177.584 -0.009 0.000 1.183 14 A CA 0.904 52.940 52.037 -0.002 0.000 0.622 14 A CB -0.493 18.506 19.000 -0.002 0.000 0.824 14 A HN 0.414 nan 8.150 nan 0.000 0.444 15 C N -0.445 118.847 119.300 -0.014 0.000 2.419 15 C HA 0.144 4.604 4.460 -0.000 0.000 0.281 15 C C 2.623 177.609 174.990 -0.007 0.000 1.336 15 C CA 0.515 59.524 59.018 -0.016 0.000 1.770 15 C CB -1.337 26.390 27.740 -0.023 0.000 1.929 15 C HN 0.640 nan 8.230 nan 0.000 0.509 16 A N -0.100 122.719 122.820 -0.002 0.000 2.346 16 A HA 0.167 4.487 4.320 -0.000 0.000 0.242 16 A C 1.324 178.904 177.584 -0.007 0.000 1.323 16 A CA 0.792 52.828 52.037 -0.002 0.000 0.940 16 A CB -0.545 18.457 19.000 0.003 0.000 0.943 16 A HN 0.549 nan 8.150 nan 0.000 0.501 17 T N -0.492 114.057 114.554 -0.008 0.000 3.111 17 T HA 0.218 4.568 4.350 -0.000 0.000 0.284 17 T C 0.075 174.768 174.700 -0.012 0.000 0.983 17 T CA -0.111 61.983 62.100 -0.009 0.000 0.900 17 T CB 0.092 68.957 68.868 -0.006 0.000 1.132 17 T HN 0.170 nan 8.240 nan 0.000 0.531 18 L N 1.854 123.067 121.223 -0.015 0.000 3.096 18 L HA 0.451 4.791 4.340 -0.000 0.000 0.247 18 L C 1.324 178.180 176.870 -0.023 0.000 1.321 18 L CA 0.209 55.038 54.840 -0.018 0.000 1.044 18 L CB -0.143 41.904 42.059 -0.019 0.000 1.434 18 L HN 0.147 nan 8.230 nan 0.000 0.533 19 Q N 0.835 120.621 119.800 -0.023 0.000 2.369 19 Q HA 0.029 4.369 4.340 -0.000 0.000 0.206 19 Q C 0.276 176.261 176.000 -0.025 0.000 0.963 19 Q CA 0.818 56.604 55.803 -0.028 0.000 0.894 19 Q CB 0.513 29.236 28.738 -0.025 0.000 0.965 19 Q HN 0.454 nan 8.270 nan 0.000 0.475 20 E N -2.327 117.861 120.200 -0.020 0.000 4.494 20 E HA 0.101 4.451 4.350 -0.000 0.000 0.391 20 E C -1.096 175.495 176.600 -0.015 0.000 1.076 20 E CA 0.337 56.727 56.400 -0.018 0.000 0.781 20 E CB -0.385 29.305 29.700 -0.017 0.000 1.201 20 E HN 0.055 nan 8.360 nan 0.000 0.576 21 A N 4.149 126.961 122.820 -0.014 0.000 1.884 21 A HA 0.294 4.614 4.320 -0.000 0.000 0.212 21 A C 0.976 178.554 177.584 -0.010 0.000 1.265 21 A CA 1.148 53.178 52.037 -0.012 0.000 0.626 21 A CB -0.111 18.882 19.000 -0.012 0.000 0.943 21 A HN 0.720 nan 8.150 nan 0.000 0.466 22 R N -0.927 119.567 120.500 -0.010 0.000 2.564 22 R HA -0.156 4.184 4.340 -0.000 0.000 0.298 22 R C -0.459 175.836 176.300 -0.008 0.000 1.011 22 R CA 0.672 56.767 56.100 -0.009 0.000 0.867 22 R CB -2.157 28.138 30.300 -0.009 0.000 2.352 22 R HN 1.746 nan 8.270 nan 0.000 0.511 23 I N -0.172 120.393 120.570 -0.008 0.000 8.030 23 I HA -0.260 3.910 4.170 -0.000 0.000 0.126 23 I C 0.189 176.301 176.117 -0.007 0.000 1.796 23 I CA 1.013 62.309 61.300 -0.007 0.000 2.138 23 I CB -1.729 36.267 38.000 -0.006 0.000 3.659 23 I HN 0.291 nan 8.210 nan 0.000 0.199 24 V N 3.312 123.221 119.914 -0.007 0.000 3.139 24 V HA 0.270 4.390 4.120 -0.000 0.000 0.307 24 V C 1.211 177.301 176.094 -0.007 0.000 1.095 24 V CA 0.312 62.607 62.300 -0.007 0.000 1.160 24 V CB 1.371 33.189 31.823 -0.008 0.000 1.003 24 V HN 0.938 nan 8.190 nan 0.000 0.489 25 L N 0.768 121.987 121.223 -0.006 0.000 2.269 25 L HA 0.319 4.659 4.340 -0.000 0.000 0.200 25 L C 1.581 178.447 176.870 -0.006 0.000 1.069 25 L CA 1.036 55.873 54.840 -0.006 0.000 0.804 25 L CB -0.567 41.489 42.059 -0.005 0.000 0.987 25 L HN 0.826 nan 8.230 nan 0.000 0.468 26 E N 1.070 121.266 120.200 -0.006 0.000 1.881 26 E HA 0.083 4.433 4.350 -0.000 0.000 0.264 26 E C 1.128 177.723 176.600 -0.008 0.000 1.243 26 E CA 0.552 56.948 56.400 -0.007 0.000 0.965 26 E CB 0.735 30.433 29.700 -0.005 0.000 1.055 26 E HN 0.405 nan 8.360 nan 0.000 0.412 27 A N 4.334 127.148 122.820 -0.010 0.000 1.972 27 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 27 A C 1.865 179.441 177.584 -0.014 0.000 1.169 27 A CA 1.520 53.550 52.037 -0.011 0.000 0.635 27 A CB -0.407 18.586 19.000 -0.012 0.000 0.810 27 A HN 0.540 nan 8.150 nan 0.000 0.446 28 N N -0.107 118.584 118.700 -0.016 0.000 2.011 28 N HA -0.186 4.554 4.740 -0.000 0.000 0.199 28 N C 1.609 177.109 175.510 -0.018 0.000 1.047 28 N CA 2.159 55.197 53.050 -0.021 0.000 0.863 28 N CB -0.446 38.029 38.487 -0.021 0.000 1.056 28 N HN 0.221 nan 8.380 nan 0.000 0.427 29 V N 1.051 120.959 119.914 -0.011 0.000 2.220 29 V HA -0.347 3.773 4.120 -0.000 0.000 0.250 29 V C 2.357 178.446 176.094 -0.007 0.000 1.056 29 V CA 1.676 63.973 62.300 -0.006 0.000 1.016 29 V CB -0.568 31.253 31.823 -0.003 0.000 0.639 29 V HN 0.364 nan 8.190 nan 0.000 0.446 30 M N -0.418 119.177 119.600 -0.008 0.000 2.151 30 M HA -0.262 4.218 4.480 -0.000 0.000 0.256 30 M C 2.204 178.500 176.300 -0.008 0.000 1.072 30 M CA 2.136 57.431 55.300 -0.008 0.000 1.090 30 M CB -1.535 31.060 32.600 -0.008 0.000 1.294 30 M HN 0.583 nan 8.290 nan 0.000 0.415 31 E N 0.065 120.258 120.200 -0.011 0.000 2.108 31 E HA -0.244 4.106 4.350 -0.000 0.000 0.203 31 E C 1.979 178.574 176.600 -0.009 0.000 1.022 31 E CA 1.999 58.392 56.400 -0.012 0.000 0.823 31 E CB -0.174 29.515 29.700 -0.019 0.000 0.744 31 E HN 0.569 nan 8.360 nan 0.000 0.456 32 I N 0.736 121.301 120.570 -0.010 0.000 2.163 32 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 32 I C 2.720 178.840 176.117 0.005 0.000 1.081 32 I CA 0.755 62.054 61.300 -0.002 0.000 1.353 32 I CB -0.374 37.627 38.000 0.001 0.000 1.054 32 I HN 0.234 nan 8.210 nan 0.000 0.407 33 L N 0.798 122.021 121.223 -0.000 0.000 2.013 33 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 33 L C 2.616 179.485 176.870 -0.001 0.000 1.073 33 L CA 2.010 56.847 54.840 -0.005 0.000 0.753 33 L CB -0.996 41.056 42.059 -0.010 0.000 0.890 33 L HN 0.373 nan 8.230 nan 0.000 0.432 34 G N 0.055 108.856 108.800 0.000 0.000 2.480 34 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 34 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 34 G C 1.481 176.389 174.900 0.013 0.000 1.200 34 G CA 1.101 46.204 45.100 0.005 0.000 0.782 34 G HN 0.352 nan 8.290 nan 0.000 0.554 35 I N 1.575 122.152 120.570 0.012 0.000 2.068 35 I HA -0.326 3.844 4.170 -0.000 0.000 0.238 35 I C 3.364 179.501 176.117 0.034 0.000 1.046 35 I CA 1.472 62.783 61.300 0.019 0.000 1.306 35 I CB -0.505 37.504 38.000 0.015 0.000 1.023 35 I HN 0.284 nan 8.210 nan 0.000 0.399 36 A N 1.140 123.980 122.820 0.034 0.000 1.859 36 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 36 A C 2.299 179.926 177.584 0.071 0.000 1.198 36 A CA 2.079 54.145 52.037 0.049 0.000 0.629 36 A CB -1.109 17.906 19.000 0.025 0.000 0.830 36 A HN 0.444 nan 8.150 nan 0.000 0.446 37 I N -0.152 120.441 120.570 0.040 0.000 2.248 37 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 37 I C 2.287 178.467 176.117 0.106 0.000 1.107 37 I CA 1.933 63.269 61.300 0.058 0.000 1.373 37 I CB -0.735 37.275 38.000 0.016 0.000 1.055 37 I HN 0.486 nan 8.210 nan 0.000 0.418 38 N N 0.284 119.024 118.700 0.067 0.000 2.039 38 N HA -0.144 4.596 4.740 -0.000 0.000 0.193 38 N C 2.005 177.551 175.510 0.061 0.000 1.044 38 N CA 0.838 53.920 53.050 0.054 0.000 0.847 38 N CB -0.062 38.444 38.487 0.032 0.000 1.030 38 N HN 0.159 nan 8.380 nan 0.000 0.422 39 R N 0.393 120.932 120.500 0.065 0.000 2.096 39 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 39 R C 2.010 178.350 176.300 0.067 0.000 1.139 39 R CA 1.310 57.444 56.100 0.057 0.000 0.952 39 R CB -1.090 29.249 30.300 0.064 0.000 0.854 39 R HN 0.440 nan 8.270 nan 0.000 0.436 40 Y N 1.719 122.011 120.300 -0.015 0.000 2.060 40 Y HA -0.236 4.314 4.550 -0.000 0.000 0.276 40 Y C 1.974 177.849 175.900 -0.042 0.000 1.127 40 Y CA 2.073 60.157 58.100 -0.026 0.000 1.104 40 Y CB -0.748 37.701 38.460 -0.019 0.000 0.983 40 Y HN 0.162 nan 8.280 nan 0.000 0.483 41 N N -0.427 118.357 118.700 0.139 0.000 2.247 41 N HA -0.218 4.522 4.740 -0.000 0.000 0.189 41 N C 1.852 177.324 175.510 -0.064 0.000 1.009 41 N CA 0.783 53.849 53.050 0.026 0.000 0.872 41 N CB -0.472 38.065 38.487 0.083 0.000 0.980 41 N HN 0.579 nan 8.380 nan 0.000 0.436 42 G N 0.898 109.669 108.800 -0.049 0.000 2.404 42 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 42 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 42 G C 1.348 176.189 174.900 -0.097 0.000 1.189 42 G CA 0.299 45.366 45.100 -0.055 0.000 0.789 42 G HN 0.145 nan 8.290 nan 0.000 0.533 43 L N 0.591 121.736 121.223 -0.131 0.000 2.313 43 L HA 0.058 4.398 4.340 -0.000 0.000 0.214 43 L C 2.813 179.539 176.870 -0.240 0.000 1.119 43 L CA 1.042 55.791 54.840 -0.152 0.000 0.809 43 L CB -0.361 41.619 42.059 -0.132 0.000 0.933 43 L HN 0.152 nan 8.230 nan 0.000 0.449 44 T N -0.759 113.566 114.554 -0.380 0.000 2.939 44 T HA 0.079 4.429 4.350 -0.000 0.000 0.254 44 T C 1.054 175.555 174.700 -0.332 0.000 1.041 44 T CA 0.225 62.003 62.100 -0.537 0.000 1.142 44 T CB 0.270 68.585 68.868 -0.921 0.000 0.874 44 T HN 0.060 nan 8.240 nan 0.000 0.452 45 L N 0.050 121.144 121.223 -0.214 0.000 4.885 45 L HA -0.123 4.217 4.340 -0.000 0.000 0.404 45 L C 0.487 177.306 176.870 -0.085 0.000 0.970 45 L CA 0.721 55.491 54.840 -0.115 0.000 1.426 45 L CB -1.350 40.656 42.059 -0.089 0.000 1.934 45 L HN 0.226 nan 8.230 nan 0.000 0.613 46 R N -0.710 119.726 120.500 -0.106 0.000 2.546 46 R HA 0.670 5.010 4.340 -0.000 0.000 0.266 46 R C 0.888 177.209 176.300 0.035 0.000 1.086 46 R CA 0.193 56.283 56.100 -0.015 0.000 1.160 46 R CB 0.651 30.965 30.300 0.025 0.000 1.138 46 R HN 0.198 nan 8.270 nan 0.000 0.567 47 G N 0.785 109.619 108.800 0.057 0.000 3.986 47 G HA2 0.342 4.302 3.960 -0.000 0.000 0.343 47 G HA3 0.342 4.302 3.960 -0.000 0.000 0.343 47 G C -0.534 174.401 174.900 0.057 0.000 1.413 47 G CA -0.335 44.795 45.100 0.050 0.000 1.143 47 G HN 0.222 nan 8.290 nan 0.000 0.488 48 V N 1.917 121.878 119.914 0.078 0.000 2.530 48 V HA 0.333 4.453 4.120 -0.000 0.000 0.282 48 V C 0.672 176.779 176.094 0.023 0.000 1.048 48 V CA -0.054 62.274 62.300 0.048 0.000 0.997 48 V CB 1.236 33.086 31.823 0.045 0.000 0.987 48 V HN 0.547 nan 8.190 nan 0.000 0.477 49 T N 6.002 120.559 114.554 0.005 0.000 2.907 49 T HA 0.287 4.637 4.350 -0.000 0.000 0.284 49 T C 1.158 175.853 174.700 -0.008 0.000 1.004 49 T CA -0.619 61.480 62.100 -0.000 0.000 1.063 49 T CB 1.377 70.243 68.868 -0.004 0.000 0.992 49 T HN 0.443 nan 8.240 nan 0.000 0.483 50 M N 0.904 120.500 119.600 -0.006 0.000 2.175 50 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 50 M C 1.138 177.430 176.300 -0.013 0.000 1.063 50 M CA 1.460 56.754 55.300 -0.010 0.000 1.119 50 M CB -0.546 32.050 32.600 -0.006 0.000 1.377 50 M HN 0.359 nan 8.290 nan 0.000 0.415 51 R N 0.587 121.080 120.500 -0.012 0.000 2.402 51 R HA 0.332 4.672 4.340 -0.000 0.000 0.290 51 R C -2.584 173.706 176.300 -0.016 0.000 1.321 51 R CA -1.870 54.221 56.100 -0.014 0.000 1.283 51 R CB 0.578 30.871 30.300 -0.012 0.000 1.111 51 R HN -0.039 nan 8.270 nan 0.000 0.578 52 P HA 0.171 nan 4.420 nan 0.000 0.271 52 P C -0.060 177.224 177.300 -0.026 0.000 1.218 52 P CA -0.005 63.080 63.100 -0.025 0.000 0.780 52 P CB 1.426 33.107 31.700 -0.032 0.000 0.901 53 T N -3.513 111.026 114.554 -0.026 0.000 3.304 53 T HA -0.003 4.347 4.350 -0.000 0.000 0.269 53 T C 1.593 176.277 174.700 -0.027 0.000 0.895 53 T CA 0.585 62.670 62.100 -0.025 0.000 0.948 53 T CB -0.820 68.037 68.868 -0.019 0.000 1.242 53 T HN 0.346 nan 8.240 nan 0.000 0.522 54 S N 2.059 117.744 115.700 -0.024 0.000 2.380 54 S HA 0.229 4.699 4.470 -0.000 0.000 0.213 54 S C 1.459 176.042 174.600 -0.029 0.000 1.037 54 S CA 1.501 59.688 58.200 -0.022 0.000 1.034 54 S CB -0.378 62.813 63.200 -0.015 0.000 1.022 54 S HN 0.859 nan 8.310 nan 0.000 0.418 55 L N -1.727 119.474 121.223 -0.036 0.000 1.237 55 L HA 0.292 4.632 4.340 -0.000 0.000 0.080 55 L C 1.685 178.521 176.870 -0.056 0.000 1.435 55 L CA 1.003 55.815 54.840 -0.047 0.000 1.175 55 L CB -1.135 40.906 42.059 -0.029 0.000 2.417 55 L HN 0.296 nan 8.230 nan 0.000 0.457 56 A N 0.301 123.101 122.820 -0.034 0.000 1.940 56 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 56 A C 1.896 179.442 177.584 -0.062 0.000 1.176 56 A CA 2.269 54.285 52.037 -0.034 0.000 0.631 56 A CB -0.628 18.373 19.000 0.002 0.000 0.814 56 A HN 0.733 nan 8.150 nan 0.000 0.446 57 Q N -0.839 118.933 119.800 -0.046 0.000 2.079 57 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 57 Q C 2.355 178.313 176.000 -0.070 0.000 0.974 57 Q CA 1.326 57.103 55.803 -0.044 0.000 0.840 57 Q CB -0.162 28.560 28.738 -0.028 0.000 0.898 57 Q HN 0.646 nan 8.270 nan 0.000 0.430 58 R N 0.473 120.925 120.500 -0.080 0.000 2.075 58 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 58 R C 1.882 178.102 176.300 -0.134 0.000 1.126 58 R CA 1.096 57.144 56.100 -0.087 0.000 0.963 58 R CB -0.267 29.979 30.300 -0.089 0.000 0.858 58 R HN 0.269 nan 8.270 nan 0.000 0.435 59 N N 1.069 119.626 118.700 -0.238 0.000 2.084 59 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 59 N C 1.689 176.719 175.510 -0.800 0.000 1.030 59 N CA 1.208 53.923 53.050 -0.559 0.000 0.849 59 N CB -0.298 37.831 38.487 -0.597 0.000 1.012 59 N HN 0.188 nan 8.380 nan 0.000 0.423 60 E N 1.004 120.950 120.200 -0.423 0.000 2.033 60 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 60 E C 1.997 178.565 176.600 -0.052 0.000 1.011 60 E CA 1.230 57.541 56.400 -0.149 0.000 0.815 60 E CB -0.272 29.416 29.700 -0.020 0.000 0.755 60 E HN 0.291 nan 8.360 nan 0.000 0.451 61 M N -0.849 118.710 119.600 -0.068 0.000 2.108 61 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 61 M C 1.976 178.254 176.300 -0.037 0.000 1.066 61 M CA 1.586 56.850 55.300 -0.059 0.000 1.107 61 M CB -0.221 32.353 32.600 -0.045 0.000 1.356 61 M HN 0.259 nan 8.290 nan 0.000 0.406 62 F N 1.042 120.913 119.950 -0.133 0.000 2.046 62 F HA -0.284 4.243 4.527 0.000 0.000 0.297 62 F C 1.658 177.516 175.800 0.097 0.000 1.123 62 F CA 1.845 59.819 58.000 -0.043 0.000 1.199 62 F CB -0.702 38.261 39.000 -0.062 0.000 0.972 62 F HN 0.118 nan 8.300 nan 0.000 0.474 63 F N 0.375 120.341 119.950 0.027 0.000 2.147 63 F HA -0.324 4.203 4.527 -0.000 0.000 0.301 63 F C 2.593 178.425 175.800 0.055 0.000 1.084 63 F CA 1.630 59.667 58.000 0.063 0.000 1.268 63 F CB -1.558 37.618 39.000 0.294 0.000 1.009 63 F HN 0.167 nan 8.300 nan 0.000 0.486 64 M N -0.523 119.156 119.600 0.133 0.000 2.059 64 M HA -0.254 4.226 4.480 -0.000 0.000 0.259 64 M C 2.432 178.614 176.300 -0.196 0.000 1.072 64 M CA 2.225 57.413 55.300 -0.186 0.000 1.117 64 M CB -0.629 31.586 32.600 -0.642 0.000 1.320 64 M HN 0.184 nan 8.290 nan 0.000 0.408 65 C N 0.557 119.708 119.300 -0.248 0.000 2.401 65 C HA -0.187 4.273 4.460 -0.000 0.000 0.276 65 C C 2.614 177.465 174.990 -0.232 0.000 1.233 65 C CA 0.919 59.791 59.018 -0.242 0.000 1.753 65 C CB -1.540 26.029 27.740 -0.286 0.000 2.029 65 C HN 0.711 nan 8.230 nan 0.000 0.478 66 L N 1.246 122.264 121.223 -0.342 0.000 1.994 66 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 66 L C 2.196 179.036 176.870 -0.050 0.000 1.071 66 L CA 2.080 56.745 54.840 -0.291 0.000 0.745 66 L CB -0.987 40.791 42.059 -0.468 0.000 0.892 66 L HN 0.273 nan 8.230 nan 0.000 0.431 67 D N -0.739 119.732 120.400 0.118 0.000 2.106 67 D HA -0.244 4.396 4.640 -0.000 0.000 0.191 67 D C 2.212 178.589 176.300 0.129 0.000 0.997 67 D CA 2.126 56.265 54.000 0.231 0.000 0.834 67 D CB -0.130 40.897 40.800 0.379 0.000 0.956 67 D HN 0.406 nan 8.370 nan 0.000 0.448 68 M N -0.263 119.385 119.600 0.079 0.000 2.086 68 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 68 M C 2.349 178.654 176.300 0.009 0.000 1.067 68 M CA 1.061 56.387 55.300 0.044 0.000 1.116 68 M CB -0.351 32.247 32.600 -0.002 0.000 1.348 68 M HN 0.030 nan 8.290 nan 0.000 0.407 69 M N 1.246 120.832 119.600 -0.023 0.000 2.080 69 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 69 M C 1.965 178.254 176.300 -0.018 0.000 1.068 69 M CA 1.994 57.276 55.300 -0.031 0.000 1.109 69 M CB -0.621 31.946 32.600 -0.055 0.000 1.342 69 M HN 0.311 nan 8.290 nan 0.000 0.405 70 L N -0.725 120.494 121.223 -0.006 0.000 2.027 70 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 70 L C 2.468 179.344 176.870 0.009 0.000 1.074 70 L CA 1.287 56.128 54.840 0.002 0.000 0.745 70 L CB -0.929 41.146 42.059 0.028 0.000 0.898 70 L HN 0.265 nan 8.230 nan 0.000 0.433 71 S N 0.013 115.729 115.700 0.026 0.000 2.383 71 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 71 S C 2.156 176.759 174.600 0.005 0.000 1.030 71 S CA 1.300 59.514 58.200 0.023 0.000 1.002 71 S CB -0.288 62.938 63.200 0.043 0.000 0.829 71 S HN 0.499 nan 8.310 nan 0.000 0.467 72 A N 1.042 123.861 122.820 -0.002 0.000 1.969 72 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 72 A C 2.202 179.771 177.584 -0.025 0.000 1.169 72 A CA 1.472 53.499 52.037 -0.018 0.000 0.635 72 A CB -0.709 18.277 19.000 -0.024 0.000 0.810 72 A HN 0.509 nan 8.150 nan 0.000 0.445 73 A N -1.614 121.192 122.820 -0.023 0.000 2.169 73 A HA 0.407 4.727 4.320 -0.000 0.000 0.212 73 A C 1.714 179.284 177.584 -0.023 0.000 1.153 73 A CA 1.170 53.190 52.037 -0.028 0.000 0.756 73 A CB -0.880 18.101 19.000 -0.031 0.000 0.813 73 A HN 1.905 nan 8.150 nan 0.000 0.471 74 G N -0.591 108.200 108.800 -0.016 0.000 2.256 74 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.272 74 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.272 74 G C -0.148 174.745 174.900 -0.013 0.000 1.076 74 G CA 0.392 45.484 45.100 -0.013 0.000 0.882 74 G HN 0.474 nan 8.290 nan 0.000 0.497 75 I N 0.183 120.747 120.570 -0.011 0.000 2.474 75 I HA 0.339 4.509 4.170 -0.000 0.000 0.294 75 I C 0.151 176.266 176.117 -0.004 0.000 1.005 75 I CA -0.822 60.470 61.300 -0.012 0.000 1.113 75 I CB 2.046 40.033 38.000 -0.021 0.000 1.289 75 I HN 0.229 nan 8.210 nan 0.000 0.436 76 N N 5.656 124.352 118.700 -0.007 0.000 2.626 76 N HA 0.188 4.928 4.740 -0.000 0.000 0.249 76 N C 0.743 176.251 175.510 -0.004 0.000 1.021 76 N CA -0.340 52.708 53.050 -0.004 0.000 0.886 76 N CB 1.537 40.017 38.487 -0.011 0.000 1.149 76 N HN 0.562 nan 8.380 nan 0.000 0.517 77 V N 1.546 121.464 119.914 0.007 0.000 2.759 77 V HA 0.244 4.364 4.120 -0.000 0.000 0.256 77 V C 1.231 177.331 176.094 0.011 0.000 1.080 77 V CA 1.123 63.426 62.300 0.005 0.000 1.101 77 V CB -1.477 30.353 31.823 0.013 0.000 0.698 77 V HN 0.773 nan 8.190 nan 0.000 0.477 78 G N 1.183 109.988 108.800 0.009 0.000 2.741 78 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.222 78 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.222 78 G C -2.208 172.705 174.900 0.021 0.000 1.364 78 G CA -0.234 44.867 45.100 0.001 0.000 0.866 78 G HN 0.672 nan 8.290 nan 0.000 0.555 79 P HA 0.257 nan 4.420 nan 0.000 0.267 79 P C 0.922 178.322 177.300 0.167 0.000 1.328 79 P CA 0.586 63.734 63.100 0.080 0.000 0.990 79 P CB -0.512 31.231 31.700 0.071 0.000 1.168 80 I N 0.031 120.677 120.570 0.127 0.000 4.154 80 I HA 0.359 4.529 4.170 -0.000 0.000 0.334 80 I C 0.124 176.194 176.117 -0.077 0.000 1.371 80 I CA -0.331 61.033 61.300 0.106 0.000 1.110 80 I CB 0.591 38.625 38.000 0.055 0.000 1.085 80 I HN 0.148 nan 8.210 nan 0.000 0.398 81 S N 1.343 116.928 115.700 -0.192 0.000 2.547 81 S HA 0.532 5.002 4.470 -0.000 0.000 0.270 81 S C -2.397 172.028 174.600 -0.293 0.000 1.150 81 S CA -0.745 57.220 58.200 -0.391 0.000 0.850 81 S CB 1.908 65.100 63.200 -0.014 0.000 1.118 81 S HN 0.018 nan 8.310 nan 0.000 0.461 82 P HA 0.199 nan 4.420 nan 0.000 0.234 82 P C 0.064 177.373 177.300 0.016 0.000 1.175 82 P CA 0.591 63.693 63.100 0.004 0.000 0.801 82 P CB 0.241 31.997 31.700 0.094 0.000 0.891 83 D N -1.195 119.224 120.400 0.031 0.000 2.201 83 D HA -0.013 4.627 4.640 -0.000 0.000 0.209 83 D C 0.519 176.756 176.300 -0.104 0.000 0.961 83 D CA 0.711 54.758 54.000 0.078 0.000 0.861 83 D CB -0.468 40.488 40.800 0.260 0.000 0.997 83 D HN 0.214 nan 8.370 nan 0.000 0.486 84 Y N 0.878 120.913 120.300 -0.441 0.000 2.361 84 Y HA 0.442 4.992 4.550 -0.000 0.000 0.332 84 Y C -0.808 174.840 175.900 -0.421 0.000 1.101 84 Y CA -0.223 57.402 58.100 -0.791 0.000 1.137 84 Y CB 1.610 39.367 38.460 -1.171 0.000 1.207 84 Y HN -0.338 nan 8.280 nan 0.000 0.463 85 T N 6.239 120.068 114.554 -1.208 0.000 2.921 85 T HA 0.182 4.532 4.350 -0.000 0.000 0.297 85 T C -1.287 172.569 174.700 -1.407 0.000 1.013 85 T CA -0.764 60.758 62.100 -0.964 0.000 0.990 85 T CB 1.422 69.933 68.868 -0.596 0.000 1.023 85 T HN 0.693 nan 8.240 nan 0.000 0.447 86 Q N 2.655 121.896 119.800 -0.932 0.000 2.288 86 Q HA 0.159 4.499 4.340 -0.000 0.000 0.258 86 Q C -0.686 175.024 176.000 -0.484 0.000 0.957 86 Q CA -0.406 55.074 55.803 -0.540 0.000 0.919 86 Q CB 0.454 29.134 28.738 -0.097 0.000 1.185 86 Q HN 0.649 nan 8.270 nan 0.000 0.408 87 H N 5.825 124.801 119.070 -0.157 0.000 2.556 87 H HA 0.112 4.668 4.556 0.000 0.000 0.310 87 H C 0.584 175.877 175.328 -0.058 0.000 1.057 87 H CA -0.606 55.373 56.048 -0.115 0.000 1.264 87 H CB 1.271 30.952 29.762 -0.134 0.000 1.404 87 H HN 0.694 nan 8.280 nan 0.000 0.462 88 M N 1.865 121.472 119.600 0.012 0.000 2.296 88 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 88 M C 2.360 178.675 176.300 0.025 0.000 1.064 88 M CA 0.729 56.036 55.300 0.012 0.000 1.109 88 M CB -1.201 31.392 32.600 -0.013 0.000 1.396 88 M HN 0.680 nan 8.290 nan 0.000 0.430 89 A N 0.347 123.182 122.820 0.025 0.000 2.042 89 A HA -0.191 4.129 4.320 -0.000 0.000 0.222 89 A C 2.305 179.891 177.584 0.004 0.000 1.167 89 A CA 2.268 54.305 52.037 -0.000 0.000 0.649 89 A CB -1.304 17.679 19.000 -0.029 0.000 0.809 89 A HN 0.518 nan 8.150 nan 0.000 0.457 90 T N 0.047 114.624 114.554 0.038 0.000 2.721 90 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 90 T C 1.738 176.481 174.700 0.071 0.000 1.038 90 T CA 1.693 63.845 62.100 0.087 0.000 1.145 90 T CB -0.421 68.544 68.868 0.162 0.000 0.858 90 T HN 0.500 nan 8.240 nan 0.000 0.459 91 I N 1.686 122.283 120.570 0.046 0.000 2.226 91 I HA -0.025 4.145 4.170 -0.000 0.000 0.245 91 I C 2.494 178.627 176.117 0.026 0.000 1.100 91 I CA 1.414 62.732 61.300 0.031 0.000 1.374 91 I CB -0.955 37.056 38.000 0.017 0.000 1.057 91 I HN 0.248 nan 8.210 nan 0.000 0.413 92 G N -0.563 108.248 108.800 0.018 0.000 2.498 92 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 92 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 92 G C 1.534 176.447 174.900 0.020 0.000 1.119 92 G CA 1.052 46.159 45.100 0.012 0.000 0.766 92 G HN 0.396 nan 8.290 nan 0.000 0.552 93 V N 0.727 120.662 119.914 0.035 0.000 2.446 93 V HA 0.028 4.148 4.120 -0.000 0.000 0.244 93 V C 2.503 178.636 176.094 0.064 0.000 1.039 93 V CA 0.676 63.010 62.300 0.057 0.000 1.045 93 V CB -0.205 31.682 31.823 0.107 0.000 0.681 93 V HN 0.191 nan 8.190 nan 0.000 0.459 94 L N 0.500 121.759 121.223 0.061 0.000 2.395 94 L HA 0.154 4.494 4.340 -0.000 0.000 0.218 94 L C 2.502 179.396 176.870 0.039 0.000 1.130 94 L CA 1.644 56.515 54.840 0.051 0.000 0.826 94 L CB -1.829 40.253 42.059 0.038 0.000 0.941 94 L HN 0.366 nan 8.230 nan 0.000 0.451 95 A N -0.793 122.046 122.820 0.032 0.000 2.066 95 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 95 A C 1.147 178.752 177.584 0.035 0.000 1.157 95 A CA 0.456 52.508 52.037 0.025 0.000 0.670 95 A CB -0.661 18.349 19.000 0.017 0.000 0.804 95 A HN 0.371 nan 8.150 nan 0.000 0.453 96 T N 2.126 116.705 114.554 0.040 0.000 2.817 96 T HA 0.266 4.616 4.350 -0.000 0.000 0.295 96 T C -1.920 172.815 174.700 0.059 0.000 0.958 96 T CA -0.511 61.614 62.100 0.042 0.000 1.157 96 T CB 0.895 69.787 68.868 0.040 0.000 0.898 96 T HN 0.130 nan 8.240 nan 0.000 0.536 97 P HA 0.033 nan 4.420 nan 0.000 0.239 97 P C 1.153 178.486 177.300 0.056 0.000 1.184 97 P CA 0.343 63.485 63.100 0.071 0.000 0.760 97 P CB 0.243 31.976 31.700 0.054 0.000 0.884 98 E N -0.277 119.949 120.200 0.043 0.000 2.153 98 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 98 E C 0.584 177.202 176.600 0.031 0.000 0.988 98 E CA 0.597 57.014 56.400 0.028 0.000 0.811 98 E CB -0.433 29.283 29.700 0.026 0.000 0.746 98 E HN 0.274 nan 8.360 nan 0.000 0.466 99 I N 2.148 122.752 120.570 0.058 0.000 2.352 99 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 99 I C -2.111 174.063 176.117 0.095 0.000 1.036 99 I CA -2.084 59.259 61.300 0.072 0.000 1.336 99 I CB 0.927 38.982 38.000 0.092 0.000 1.407 99 I HN -0.082 nan 8.210 nan 0.000 0.497 100 P HA 0.517 nan 4.420 nan 0.000 0.281 100 P C -1.204 176.082 177.300 -0.022 0.000 1.281 100 P CA -0.466 62.535 63.100 -0.165 0.000 0.811 100 P CB 0.766 32.353 31.700 -0.190 0.000 1.154 101 F N -3.745 116.206 119.950 0.003 0.000 2.613 101 F HA 0.612 5.139 4.527 0.000 0.000 0.310 101 F C 0.107 175.909 175.800 0.003 0.000 1.085 101 F CA -1.201 56.801 58.000 0.003 0.000 0.945 101 F CB 0.029 39.032 39.000 0.004 0.000 1.298 101 F HN 0.229 nan 8.300 nan 0.000 0.455 102 T N -2.325 112.326 114.554 0.162 0.000 2.802 102 T HA 0.182 4.532 4.350 -0.000 0.000 0.305 102 T C 0.848 175.628 174.700 0.134 0.000 1.053 102 T CA 0.153 62.305 62.100 0.086 0.000 1.058 102 T CB 0.926 69.836 68.868 0.071 0.000 0.988 102 T HN 0.748 nan 8.240 nan 0.000 0.539 103 T N 1.246 115.842 114.554 0.070 0.000 2.821 103 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 103 T C 1.792 176.546 174.700 0.091 0.000 1.046 103 T CA 1.502 63.650 62.100 0.079 0.000 1.139 103 T CB -0.356 68.534 68.868 0.036 0.000 0.871 103 T HN 0.707 nan 8.240 nan 0.000 0.454 104 E N 1.813 122.057 120.200 0.073 0.000 2.023 104 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 104 E C 2.487 179.138 176.600 0.084 0.000 1.003 104 E CA 1.428 57.867 56.400 0.065 0.000 0.809 104 E CB -0.850 28.882 29.700 0.053 0.000 0.755 104 E HN 0.480 nan 8.360 nan 0.000 0.449 105 A N 1.016 123.898 122.820 0.103 0.000 1.908 105 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 105 A C 2.389 180.022 177.584 0.083 0.000 1.181 105 A CA 2.426 54.520 52.037 0.095 0.000 0.627 105 A CB -1.070 17.999 19.000 0.116 0.000 0.818 105 A HN 0.289 nan 8.150 nan 0.000 0.445 106 A N 0.247 123.158 122.820 0.153 0.000 1.865 106 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 106 A C 2.008 179.633 177.584 0.069 0.000 1.191 106 A CA 1.775 53.887 52.037 0.125 0.000 0.623 106 A CB -0.847 18.321 19.000 0.280 0.000 0.826 106 A HN 0.685 nan 8.150 nan 0.000 0.444 107 N N -0.849 117.898 118.700 0.077 0.000 2.120 107 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 107 N C 1.841 177.390 175.510 0.066 0.000 1.024 107 N CA 1.480 54.563 53.050 0.055 0.000 0.852 107 N CB -0.188 38.324 38.487 0.042 0.000 1.003 107 N HN 0.665 nan 8.380 nan 0.000 0.424 108 E N 0.680 120.933 120.200 0.088 0.000 2.049 108 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 108 E C 1.996 178.691 176.600 0.159 0.000 1.007 108 E CA 0.987 57.482 56.400 0.158 0.000 0.809 108 E CB 0.129 29.916 29.700 0.144 0.000 0.749 108 E HN 0.210 nan 8.360 nan 0.000 0.450 109 I N 0.691 121.299 120.570 0.063 0.000 2.202 109 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 109 I C 2.498 178.627 176.117 0.021 0.000 1.091 109 I CA 1.257 62.565 61.300 0.013 0.000 1.368 109 I CB -1.655 36.312 38.000 -0.056 0.000 1.058 109 I HN 0.099 nan 8.210 nan 0.000 0.410 110 A N 0.755 123.587 122.820 0.021 0.000 1.986 110 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 110 A C 2.437 180.039 177.584 0.031 0.000 1.171 110 A CA 2.179 54.226 52.037 0.017 0.000 0.640 110 A CB -0.573 18.439 19.000 0.021 0.000 0.811 110 A HN 0.312 nan 8.150 nan 0.000 0.451 111 R N -0.256 120.285 120.500 0.069 0.000 2.055 111 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 111 R C 1.959 178.333 176.300 0.123 0.000 1.143 111 R CA 1.918 58.071 56.100 0.089 0.000 0.945 111 R CB -1.228 29.134 30.300 0.105 0.000 0.841 111 R HN 0.229 nan 8.270 nan 0.000 0.429 112 V N 0.508 120.523 119.914 0.169 0.000 2.215 112 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 112 V C 2.136 178.233 176.094 0.006 0.000 1.054 112 V CA 2.677 65.022 62.300 0.076 0.000 1.012 112 V CB -1.034 30.771 31.823 -0.029 0.000 0.639 112 V HN 0.519 nan 8.190 nan 0.000 0.448 113 T N 0.070 114.615 114.554 -0.015 0.000 2.759 113 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 113 T C 1.838 176.510 174.700 -0.046 0.000 1.042 113 T CA 1.452 63.527 62.100 -0.041 0.000 1.140 113 T CB -0.813 68.029 68.868 -0.043 0.000 0.864 113 T HN 0.654 nan 8.240 nan 0.000 0.455 114 G N 2.373 111.158 108.800 -0.024 0.000 2.552 114 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 114 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 114 G C 1.472 176.341 174.900 -0.053 0.000 1.240 114 G CA 1.433 46.515 45.100 -0.030 0.000 0.796 114 G HN 0.694 nan 8.290 nan 0.000 0.568 115 E N -0.628 119.552 120.200 -0.034 0.000 2.107 115 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 115 E C 2.232 178.763 176.600 -0.116 0.000 0.982 115 E CA 1.604 57.971 56.400 -0.055 0.000 0.809 115 E CB -1.136 28.560 29.700 -0.007 0.000 0.756 115 E HN 0.234 nan 8.360 nan 0.000 0.459 116 T N -0.141 114.356 114.554 -0.095 0.000 2.849 116 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 116 T C 1.751 176.316 174.700 -0.226 0.000 1.066 116 T CA 1.738 63.759 62.100 -0.132 0.000 1.130 116 T CB -0.476 68.340 68.868 -0.087 0.000 0.864 116 T HN 0.481 nan 8.240 nan 0.000 0.481 117 S N -1.258 114.305 115.700 -0.228 0.000 2.524 117 S HA 0.184 4.654 4.470 -0.000 0.000 0.216 117 S C 0.985 175.293 174.600 -0.488 0.000 0.987 117 S CA -0.018 58.007 58.200 -0.292 0.000 0.909 117 S CB 0.239 63.333 63.200 -0.177 0.000 0.781 117 S HN 0.359 nan 8.310 nan 0.000 0.521 118 T N 0.150 114.413 114.554 -0.484 0.000 2.831 118 T HA 0.555 4.905 4.350 -0.000 0.000 0.287 118 T C -1.661 172.697 174.700 -0.570 0.000 1.070 118 T CA -0.918 60.844 62.100 -0.562 0.000 1.010 118 T CB 0.931 69.704 68.868 -0.160 0.000 1.264 118 T HN 0.413 nan 8.240 nan 0.000 0.532 119 W N -0.171 121.130 121.300 0.000 0.000 2.703 119 W HA 0.694 5.354 4.660 -0.000 0.000 0.359 119 W C 0.248 176.765 176.519 -0.003 0.000 1.168 119 W CA -0.890 56.453 57.345 -0.003 0.000 1.177 119 W CB 1.411 30.867 29.460 -0.006 0.000 1.434 119 W HN 0.990 nan 8.180 nan 0.000 0.618 120 G N 1.165 110.106 108.800 0.237 0.000 2.616 120 G HA2 0.414 4.374 3.960 -0.000 0.000 0.294 120 G HA3 0.414 4.374 3.960 -0.000 0.000 0.294 120 G C -3.096 171.857 174.900 0.088 0.000 1.489 120 G CA -0.961 44.215 45.100 0.127 0.000 0.836 120 G HN 0.034 nan 8.290 nan 0.000 0.527 121 P HA 0.486 nan 4.420 nan 0.000 0.271 121 P C -0.442 176.868 177.300 0.017 0.000 1.220 121 P CA 0.094 63.219 63.100 0.043 0.000 0.768 121 P CB 1.640 33.371 31.700 0.052 0.000 0.848 122 A N 3.653 126.468 122.820 -0.009 0.000 2.517 122 A HA 0.431 4.751 4.320 -0.000 0.000 0.297 122 A C -0.293 177.231 177.584 -0.100 0.000 1.050 122 A CA -0.921 51.086 52.037 -0.050 0.000 0.694 122 A CB 1.291 20.263 19.000 -0.047 0.000 1.277 122 A HN 0.433 nan 8.150 nan 0.000 0.400 123 R N 1.805 122.226 120.500 -0.131 0.000 2.446 123 R HA 0.135 4.475 4.340 -0.000 0.000 0.314 123 R C -0.143 176.021 176.300 -0.227 0.000 1.003 123 R CA -0.003 55.991 56.100 -0.177 0.000 1.018 123 R CB 0.319 30.450 30.300 -0.282 0.000 0.945 123 R HN 0.657 nan 8.270 nan 0.000 0.419 124 Q N 4.212 123.795 119.800 -0.361 0.000 2.394 124 Q HA 0.059 4.399 4.340 -0.000 0.000 0.248 124 Q C -1.240 174.608 176.000 -0.254 0.000 0.992 124 Q CA -1.485 54.072 55.803 -0.409 0.000 0.888 124 Q CB 0.527 28.764 28.738 -0.835 0.000 1.257 124 Q HN 0.479 nan 8.270 nan 0.000 0.462 125 P HA -0.099 nan 4.420 nan 0.000 0.217 125 P C -0.287 176.769 177.300 -0.407 0.000 1.154 125 P CA 1.413 64.222 63.100 -0.484 0.000 0.841 125 P CB 0.287 31.461 31.700 -0.877 0.000 0.788 126 Y N -0.068 120.326 120.300 0.157 0.000 2.596 126 Y HA 0.591 5.141 4.550 0.000 0.000 0.326 126 Y C 1.618 177.677 175.900 0.264 0.000 1.167 126 Y CA -1.228 56.982 58.100 0.183 0.000 1.246 126 Y CB -0.438 38.117 38.460 0.157 0.000 1.347 126 Y HN -0.145 nan 8.280 nan 0.000 0.515 127 G N -0.093 108.945 108.800 0.396 0.000 2.559 127 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.235 127 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.235 127 G C 0.336 175.372 174.900 0.225 0.000 1.266 127 G CA -0.181 45.110 45.100 0.318 0.000 0.847 127 G HN 0.689 nan 8.290 nan 0.000 0.583 128 F N 1.417 121.306 119.950 -0.102 0.000 2.069 128 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 128 F C 1.634 177.178 175.800 -0.428 0.000 1.113 128 F CA 1.121 58.786 58.000 -0.557 0.000 1.214 128 F CB -0.140 38.337 39.000 -0.872 0.000 0.978 128 F HN 0.325 nan 8.300 nan 0.000 0.474 129 F N 0.606 120.762 119.950 0.343 0.000 2.833 129 F HA 0.175 4.702 4.527 0.000 0.000 0.327 129 F C 1.139 177.018 175.800 0.132 0.000 1.184 129 F CA -0.188 57.946 58.000 0.222 0.000 1.328 129 F CB -0.509 38.588 39.000 0.161 0.000 1.440 129 F HN -0.014 nan 8.300 nan 0.000 0.569 130 L N 0.161 121.506 121.223 0.202 0.000 2.202 130 L HA 0.108 4.448 4.340 -0.000 0.000 0.205 130 L C 1.580 178.519 176.870 0.114 0.000 1.083 130 L CA 1.475 56.408 54.840 0.154 0.000 0.790 130 L CB -0.135 42.008 42.059 0.140 0.000 0.942 130 L HN 0.139 nan 8.230 nan 0.000 0.452 131 E N 0.638 120.900 120.200 0.103 0.000 2.351 131 E HA 0.071 4.421 4.350 -0.000 0.000 0.236 131 E C -0.237 176.420 176.600 0.094 0.000 1.341 131 E CA 0.041 56.490 56.400 0.081 0.000 1.579 131 E CB -0.426 29.309 29.700 0.058 0.000 1.393 131 E HN 0.462 nan 8.360 nan 0.000 0.438 132 T N -2.826 111.796 114.554 0.114 0.000 2.867 132 T HA 0.263 4.613 4.350 -0.000 0.000 0.282 132 T C 0.849 175.580 174.700 0.053 0.000 1.000 132 T CA -0.790 61.373 62.100 0.105 0.000 1.042 132 T CB 2.083 71.035 68.868 0.140 0.000 0.973 132 T HN 0.015 nan 8.240 nan 0.000 0.465 133 E N 1.105 121.324 120.200 0.031 0.000 2.190 133 E HA 0.040 4.390 4.350 -0.000 0.000 0.191 133 E C 0.081 176.659 176.600 -0.036 0.000 0.978 133 E CA 0.600 57.000 56.400 0.000 0.000 0.839 133 E CB 0.358 30.058 29.700 -0.001 0.000 0.787 133 E HN 0.741 nan 8.360 nan 0.000 0.473 134 E N 0.411 120.584 120.200 -0.044 0.000 2.222 134 E HA 0.350 4.700 4.350 -0.000 0.000 0.267 134 E C -0.836 175.686 176.600 -0.129 0.000 0.884 134 E CA -0.353 55.967 56.400 -0.134 0.000 0.764 134 E CB 2.453 32.057 29.700 -0.160 0.000 1.169 134 E HN -0.178 nan 8.360 nan 0.000 0.413 135 T N 1.670 116.075 114.554 -0.250 0.000 2.903 135 T HA 0.653 5.003 4.350 -0.000 0.000 0.299 135 T C -1.597 172.876 174.700 -0.379 0.000 1.093 135 T CA -0.550 61.464 62.100 -0.143 0.000 1.002 135 T CB 0.544 69.376 68.868 -0.060 0.000 1.127 135 T HN 0.275 nan 8.240 nan 0.000 0.488 136 F N 1.491 121.344 119.950 -0.161 0.000 2.575 136 F HA 0.548 5.075 4.527 -0.000 0.000 0.330 136 F C 0.582 176.320 175.800 -0.104 0.000 1.056 136 F CA -1.006 56.890 58.000 -0.173 0.000 0.964 136 F CB 1.520 40.365 39.000 -0.258 0.000 1.258 136 F HN 0.499 nan 8.300 nan 0.000 0.484 137 Q N 4.139 123.998 119.800 0.099 0.000 2.337 137 Q HA 0.196 4.536 4.340 -0.000 0.000 0.270 137 Q C -2.471 173.582 176.000 0.088 0.000 1.002 137 Q CA -1.750 54.097 55.803 0.074 0.000 0.888 137 Q CB 0.915 29.698 28.738 0.075 0.000 1.222 137 Q HN 0.189 nan 8.270 nan 0.000 0.400 138 P HA 0.073 nan 4.420 nan 0.000 0.276 138 P C 0.271 177.623 177.300 0.087 0.000 1.235 138 P CA 0.848 63.984 63.100 0.061 0.000 0.772 138 P CB 1.087 32.819 31.700 0.054 0.000 0.871 139 G N 2.995 111.847 108.800 0.088 0.000 2.267 139 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 139 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 139 G C 0.417 175.460 174.900 0.238 0.000 0.998 139 G CA 0.230 45.422 45.100 0.153 0.000 0.620 139 G HN 0.777 nan 8.290 nan 0.000 0.529 140 R N 0.796 121.415 120.500 0.198 0.000 2.298 140 R HA 0.373 4.713 4.340 -0.000 0.000 0.310 140 R C 0.758 177.239 176.300 0.302 0.000 1.068 140 R CA -0.703 55.558 56.100 0.267 0.000 0.957 140 R CB 0.186 30.614 30.300 0.213 0.000 1.003 140 R HN 0.329 nan 8.270 nan 0.000 0.454 141 W N 6.778 128.219 121.300 0.235 0.000 2.148 141 W HA 0.174 4.834 4.660 0.000 0.000 0.347 141 W C -1.552 175.107 176.519 0.232 0.000 1.288 141 W CA 0.080 57.541 57.345 0.193 0.000 1.252 141 W CB 0.434 30.050 29.460 0.259 0.000 1.156 141 W HN 0.590 nan 8.180 nan 0.000 0.580 142 F N 7.340 126.858 119.950 -0.720 0.000 2.683 142 F HA 0.272 4.799 4.527 -0.000 0.000 0.333 142 F C -1.709 173.644 175.800 -0.746 0.000 1.160 142 F CA -0.924 56.785 58.000 -0.485 0.000 1.099 142 F CB 0.756 39.608 39.000 -0.245 0.000 1.344 142 F HN 0.189 nan 8.300 nan 0.000 0.534 143 M N 7.132 126.112 119.600 -1.033 0.000 2.093 143 M HA 0.481 4.961 4.480 -0.000 0.000 0.297 143 M C -0.775 175.114 176.300 -0.685 0.000 0.938 143 M CA -0.406 54.480 55.300 -0.690 0.000 0.920 143 M CB 1.234 33.663 32.600 -0.284 0.000 1.517 143 M HN 0.631 nan 8.290 nan 0.000 0.427 144 R N 3.197 123.412 120.500 -0.476 0.000 2.623 144 R HA 0.572 4.912 4.340 -0.000 0.000 0.271 144 R C -0.301 175.894 176.300 -0.174 0.000 1.043 144 R CA 0.313 56.255 56.100 -0.263 0.000 1.083 144 R CB 0.564 30.843 30.300 -0.035 0.000 0.974 144 R HN 0.913 nan 8.270 nan 0.000 0.436 145 A N 3.377 126.126 122.820 -0.118 0.000 2.584 145 A HA 0.269 4.589 4.320 -0.000 0.000 0.239 145 A C 1.242 178.798 177.584 -0.047 0.000 1.043 145 A CA 0.893 52.889 52.037 -0.068 0.000 0.756 145 A CB -0.506 18.473 19.000 -0.035 0.000 0.963 145 A HN 1.419 nan 8.150 nan 0.000 0.511 146 A N 1.551 124.348 122.820 -0.038 0.000 3.383 146 A HA -0.192 4.128 4.320 -0.000 0.000 0.264 146 A C 0.468 178.033 177.584 -0.032 0.000 1.154 146 A CA 1.720 53.742 52.037 -0.027 0.000 1.179 146 A CB -2.295 16.695 19.000 -0.018 0.000 1.133 146 A HN 0.978 nan 8.150 nan 0.000 0.933 147 Q N -1.554 118.215 119.800 -0.051 0.000 2.235 147 Q HA 0.692 5.032 4.340 -0.000 0.000 0.256 147 Q C 1.036 177.002 176.000 -0.057 0.000 0.951 147 Q CA 0.089 55.857 55.803 -0.059 0.000 0.890 147 Q CB 1.635 30.323 28.738 -0.083 0.000 1.279 147 Q HN 0.893 nan 8.270 nan 0.000 0.444 148 A N 1.184 123.976 122.820 -0.048 0.000 2.220 148 A HA 0.477 4.797 4.320 -0.000 0.000 0.211 148 A C 0.376 177.922 177.584 -0.064 0.000 1.176 148 A CA 0.562 52.581 52.037 -0.030 0.000 0.834 148 A CB 0.542 19.533 19.000 -0.016 0.000 0.868 148 A HN 0.587 nan 8.150 nan 0.000 0.488 149 A N -0.320 122.435 122.820 -0.109 0.000 2.414 149 A HA 0.611 4.931 4.320 -0.000 0.000 0.286 149 A C -0.622 176.847 177.584 -0.193 0.000 1.073 149 A CA -0.226 51.714 52.037 -0.162 0.000 0.727 149 A CB 0.796 19.703 19.000 -0.154 0.000 1.215 149 A HN 0.030 nan 8.150 nan 0.000 0.430 150 T N 2.334 116.727 114.554 -0.269 0.000 2.892 150 T HA 0.595 4.945 4.350 -0.000 0.000 0.311 150 T C 0.128 174.646 174.700 -0.303 0.000 1.033 150 T CA 0.065 62.007 62.100 -0.263 0.000 0.991 150 T CB 1.121 69.825 68.868 -0.274 0.000 0.981 150 T HN 1.142 nan 8.240 nan 0.000 0.457 151 A N 3.075 125.730 122.820 -0.274 0.000 2.327 151 A HA 0.845 5.165 4.320 -0.000 0.000 0.283 151 A C -0.245 177.104 177.584 -0.391 0.000 1.127 151 A CA -0.492 51.356 52.037 -0.315 0.000 0.810 151 A CB 0.731 19.565 19.000 -0.276 0.000 1.066 151 A HN 0.678 nan 8.150 nan 0.000 0.492 152 V N 2.185 121.819 119.914 -0.466 0.000 3.120 152 V HA 0.431 4.551 4.120 -0.000 0.000 0.303 152 V C -0.505 175.282 176.094 -0.513 0.000 1.238 152 V CA -0.439 61.499 62.300 -0.603 0.000 1.008 152 V CB 2.307 33.503 31.823 -1.045 0.000 1.064 152 V HN 1.374 nan 8.190 nan 0.000 0.434 153 V N 4.973 124.621 119.914 -0.443 0.000 2.555 153 V HA 0.319 4.439 4.120 -0.000 0.000 0.286 153 V C 0.811 176.843 176.094 -0.104 0.000 1.044 153 V CA 0.835 62.897 62.300 -0.396 0.000 1.026 153 V CB 0.700 32.272 31.823 -0.418 0.000 0.981 153 V HN 1.330 nan 8.190 nan 0.000 0.480 154 C N 3.491 122.725 119.300 -0.111 0.000 3.491 154 C HA 0.850 5.310 4.460 -0.000 0.000 0.298 154 C C 0.903 175.904 174.990 0.018 0.000 1.424 154 C CA 0.041 59.058 59.018 -0.003 0.000 1.772 154 C CB -1.060 26.671 27.740 -0.015 0.000 2.447 154 C HN 1.387 nan 8.230 nan 0.000 0.670 155 G N 0.247 109.058 108.800 0.018 0.000 2.550 155 G HA2 0.558 4.518 3.960 -0.000 0.000 0.293 155 G HA3 0.558 4.518 3.960 -0.000 0.000 0.293 155 G C -2.814 172.179 174.900 0.156 0.000 1.402 155 G CA -0.589 44.559 45.100 0.080 0.000 0.784 155 G HN -0.204 nan 8.290 nan 0.000 0.482 156 P HA 0.069 nan 4.420 nan 0.000 0.222 156 P C 0.399 177.925 177.300 0.376 0.000 1.147 156 P CA 1.611 64.867 63.100 0.260 0.000 0.790 156 P CB 0.306 32.124 31.700 0.195 0.000 0.780 157 D N -3.686 116.925 120.400 0.352 0.000 2.651 157 D HA 0.215 4.855 4.640 -0.000 0.000 0.280 157 D C -0.161 176.356 176.300 0.362 0.000 1.496 157 D CA -0.109 54.129 54.000 0.396 0.000 0.792 157 D CB -0.231 40.742 40.800 0.288 0.000 1.144 157 D HN 0.011 nan 8.370 nan 0.000 0.470 158 M N 1.775 121.548 119.600 0.289 0.000 2.393 158 M HA 0.558 5.038 4.480 -0.000 0.000 0.299 158 M C -1.664 174.598 176.300 -0.064 0.000 1.103 158 M CA -0.764 54.614 55.300 0.130 0.000 0.910 158 M CB 2.485 35.139 32.600 0.089 0.000 1.659 158 M HN 0.195 nan 8.290 nan 0.000 0.445 159 I N 0.972 121.486 120.570 -0.093 0.000 2.934 159 I HA 0.806 4.976 4.170 -0.000 0.000 0.306 159 I C -1.613 174.409 176.117 -0.158 0.000 1.110 159 I CA -0.739 60.406 61.300 -0.258 0.000 1.019 159 I CB 2.500 40.254 38.000 -0.410 0.000 1.227 159 I HN 0.765 nan 8.210 nan 0.000 0.434 160 Q N 2.779 122.450 119.800 -0.216 0.000 2.315 160 Q HA 0.724 5.064 4.340 -0.000 0.000 0.273 160 Q C -1.941 173.905 176.000 -0.257 0.000 1.053 160 Q CA -1.004 54.688 55.803 -0.185 0.000 0.817 160 Q CB 2.812 31.457 28.738 -0.155 0.000 1.326 160 Q HN 0.575 nan 8.270 nan 0.000 0.423 161 V N 1.669 121.438 119.914 -0.242 0.000 2.417 161 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 161 V C -0.319 175.574 176.094 -0.335 0.000 1.024 161 V CA -0.636 61.492 62.300 -0.286 0.000 0.861 161 V CB 1.648 33.322 31.823 -0.249 0.000 0.985 161 V HN 0.856 nan 8.190 nan 0.000 0.436 162 S N 6.493 121.917 115.700 -0.460 0.000 2.430 162 S HA 0.581 5.051 4.470 -0.000 0.000 0.289 162 S C -0.481 173.823 174.600 -0.494 0.000 1.143 162 S CA -0.486 57.288 58.200 -0.710 0.000 1.067 162 S CB 0.380 62.785 63.200 -1.326 0.000 0.964 162 S HN 0.395 nan 8.310 nan 0.000 0.485 163 L N 3.873 124.985 121.223 -0.185 0.000 2.329 163 L HA 0.501 4.841 4.340 -0.000 0.000 0.279 163 L C 0.233 177.266 176.870 0.272 0.000 1.014 163 L CA -0.561 54.274 54.840 -0.008 0.000 0.814 163 L CB 1.347 43.382 42.059 -0.041 0.000 1.257 163 L HN 0.494 nan 8.230 nan 0.000 0.424 164 N N 1.115 119.948 118.700 0.222 0.000 2.515 164 N HA 0.352 5.092 4.740 -0.000 0.000 0.279 164 N C 0.058 175.637 175.510 0.114 0.000 1.164 164 N CA -0.345 52.848 53.050 0.238 0.000 0.982 164 N CB 1.543 40.129 38.487 0.165 0.000 1.170 164 N HN 0.702 nan 8.380 nan 0.000 0.474 165 A N 0.298 123.166 122.820 0.079 0.000 2.566 165 A HA 0.366 4.686 4.320 -0.000 0.000 0.245 165 A C 1.377 178.978 177.584 0.029 0.000 1.056 165 A CA 0.796 52.860 52.037 0.044 0.000 0.757 165 A CB -0.899 18.115 19.000 0.023 0.000 0.979 165 A HN 0.952 nan 8.150 nan 0.000 0.508 166 G N 0.861 109.672 108.800 0.019 0.000 2.184 166 G HA2 0.101 4.061 3.960 -0.000 0.000 0.264 166 G HA3 0.101 4.061 3.960 -0.000 0.000 0.264 166 G C 0.638 175.539 174.900 0.001 0.000 0.975 166 G CA 0.780 45.885 45.100 0.009 0.000 0.642 166 G HN 2.191 nan 8.290 nan 0.000 0.536 167 A N -0.210 122.610 122.820 -0.000 0.000 2.272 167 A HA 0.962 5.282 4.320 -0.000 0.000 0.275 167 A C 0.645 178.191 177.584 -0.062 0.000 1.096 167 A CA 0.764 52.789 52.037 -0.019 0.000 0.822 167 A CB 0.552 19.546 19.000 -0.009 0.000 1.088 167 A HN 1.674 nan 8.150 nan 0.000 0.495 168 R N -1.145 119.304 120.500 -0.084 0.000 2.741 168 R HA 0.767 5.107 4.340 -0.000 0.000 0.274 168 R C -0.359 175.839 176.300 -0.170 0.000 1.029 168 R CA -0.387 55.604 56.100 -0.182 0.000 0.880 168 R CB 0.850 31.088 30.300 -0.104 0.000 1.264 168 R HN 2.039 nan 8.270 nan 0.000 0.465 169 G N 0.399 108.986 108.800 -0.355 0.000 2.340 169 G HA2 0.249 4.209 3.960 -0.000 0.000 0.300 169 G HA3 0.249 4.209 3.960 -0.000 0.000 0.300 169 G C -2.071 172.782 174.900 -0.079 0.000 1.488 169 G CA -0.884 44.154 45.100 -0.103 0.000 0.878 169 G HN 0.502 nan 8.290 nan 0.000 0.618 170 D N -0.297 120.166 120.400 0.105 0.000 2.255 170 D HA 0.476 5.116 4.640 -0.000 0.000 0.249 170 D C 1.055 177.347 176.300 -0.013 0.000 1.078 170 D CA -0.233 53.819 54.000 0.086 0.000 0.896 170 D CB 2.161 43.016 40.800 0.092 0.000 1.194 170 D HN 0.163 nan 8.370 nan 0.000 0.429 171 V N 1.742 121.636 119.914 -0.034 0.000 3.484 171 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 171 V C 2.311 178.457 176.094 0.087 0.000 1.282 171 V CA -0.018 62.261 62.300 -0.036 0.000 1.104 171 V CB -0.123 31.641 31.823 -0.098 0.000 0.868 171 V HN 0.508 nan 8.190 nan 0.000 0.457 172 Q N 2.424 122.319 119.800 0.158 0.000 2.207 172 Q HA -0.364 3.976 4.340 -0.000 0.000 0.215 172 Q C 1.892 178.166 176.000 0.457 0.000 1.006 172 Q CA 2.681 58.749 55.803 0.441 0.000 0.903 172 Q CB -1.056 27.955 28.738 0.455 0.000 0.947 172 Q HN 0.818 nan 8.270 nan 0.000 0.414 173 Q N 0.483 120.421 119.800 0.229 0.000 2.368 173 Q HA -0.141 4.199 4.340 -0.000 0.000 0.210 173 Q C 1.947 178.024 176.000 0.130 0.000 0.982 173 Q CA 1.445 57.347 55.803 0.164 0.000 0.884 173 Q CB -0.655 28.136 28.738 0.089 0.000 0.933 173 Q HN 0.514 nan 8.270 nan 0.000 0.460 174 I N 0.168 120.772 120.570 0.056 0.000 2.439 174 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 174 I C 1.442 177.570 176.117 0.017 0.000 1.139 174 I CA 0.890 62.133 61.300 -0.096 0.000 1.438 174 I CB -0.163 37.614 38.000 -0.372 0.000 1.085 174 I HN -0.012 nan 8.210 nan 0.000 0.427 175 F N 0.328 120.418 119.950 0.233 0.000 2.219 175 F HA 0.095 4.622 4.527 0.000 0.000 0.294 175 F C 1.556 177.478 175.800 0.203 0.000 1.086 175 F CA 0.288 58.398 58.000 0.183 0.000 1.330 175 F CB -1.008 38.024 39.000 0.052 0.000 1.047 175 F HN -0.048 nan 8.300 nan 0.000 0.495 176 Q N 0.059 120.075 119.800 0.361 0.000 2.428 176 Q HA 0.277 4.617 4.340 -0.000 0.000 0.276 176 Q C 1.372 177.479 176.000 0.178 0.000 1.059 176 Q CA 0.956 56.890 55.803 0.218 0.000 0.923 176 Q CB 0.148 28.983 28.738 0.161 0.000 1.283 176 Q HN 0.538 nan 8.270 nan 0.000 0.447 177 G N 1.253 110.128 108.800 0.125 0.000 2.268 177 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.240 177 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.240 177 G C -0.147 174.807 174.900 0.089 0.000 1.010 177 G CA -0.023 45.132 45.100 0.092 0.000 0.618 177 G HN 0.538 nan 8.290 nan 0.000 0.516 178 R N 1.069 121.652 120.500 0.137 0.000 2.312 178 R HA 0.592 4.932 4.340 -0.000 0.000 0.311 178 R C 0.888 177.171 176.300 -0.029 0.000 1.004 178 R CA -0.037 56.111 56.100 0.079 0.000 0.902 178 R CB 0.583 30.988 30.300 0.173 0.000 1.073 178 R HN 0.561 nan 8.270 nan 0.000 0.457 179 N N 0.908 119.556 118.700 -0.088 0.000 1.220 179 N HA -0.336 4.404 4.740 -0.000 0.000 0.114 179 N C -0.580 174.905 175.510 -0.042 0.000 0.835 179 N CA 1.678 54.666 53.050 -0.102 0.000 0.863 179 N CB -0.485 37.870 38.487 -0.220 0.000 0.992 179 N HN 0.814 nan 8.380 nan 0.000 0.632 180 D N -0.122 120.264 120.400 -0.022 0.000 3.250 180 D HA 0.270 4.910 4.640 -0.000 0.000 0.252 180 D C -2.884 173.427 176.300 0.018 0.000 1.342 180 D CA -0.899 53.094 54.000 -0.012 0.000 0.807 180 D CB 0.404 41.181 40.800 -0.039 0.000 1.449 180 D HN 0.329 nan 8.370 nan 0.000 0.610 181 P HA 0.201 nan 4.420 nan 0.000 0.272 181 P C 0.392 177.704 177.300 0.020 0.000 1.230 181 P CA -0.400 62.779 63.100 0.132 0.000 0.788 181 P CB 1.397 33.252 31.700 0.259 0.000 0.949 182 M N -0.444 119.173 119.600 0.029 0.000 2.638 182 M HA 0.227 4.707 4.480 -0.000 0.000 0.256 182 M C 0.401 176.668 176.300 -0.056 0.000 1.282 182 M CA 0.702 55.989 55.300 -0.021 0.000 1.155 182 M CB 0.322 32.928 32.600 0.010 0.000 1.345 182 M HN 0.272 nan 8.290 nan 0.000 0.523 183 M N 0.927 120.527 119.600 -0.001 0.000 2.274 183 M HA 0.496 4.976 4.480 -0.000 0.000 0.272 183 M C -2.127 174.158 176.300 -0.024 0.000 1.053 183 M CA -0.247 55.000 55.300 -0.089 0.000 0.978 183 M CB 1.856 34.444 32.600 -0.020 0.000 1.836 183 M HN 0.025 nan 8.290 nan 0.000 0.484 184 I N 4.600 125.042 120.570 -0.214 0.000 2.404 184 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 184 I C -1.298 174.635 176.117 -0.306 0.000 0.992 184 I CA -0.831 60.415 61.300 -0.090 0.000 1.149 184 I CB 1.472 39.379 38.000 -0.155 0.000 1.315 184 I HN 0.581 nan 8.210 nan 0.000 0.446 185 Y N 6.213 126.383 120.300 -0.216 0.000 2.385 185 Y HA 0.439 4.989 4.550 -0.000 0.000 0.341 185 Y C -0.200 175.597 175.900 -0.170 0.000 0.965 185 Y CA -0.696 57.217 58.100 -0.312 0.000 1.180 185 Y CB 0.808 38.761 38.460 -0.846 0.000 1.139 185 Y HN 0.282 nan 8.280 nan 0.000 0.502 186 L N 3.023 124.249 121.223 0.005 0.000 2.376 186 L HA 0.713 5.053 4.340 -0.000 0.000 0.267 186 L C -0.475 176.446 176.870 0.085 0.000 1.035 186 L CA -1.336 53.534 54.840 0.050 0.000 0.800 186 L CB 1.690 43.758 42.059 0.015 0.000 1.290 186 L HN 0.335 nan 8.230 nan 0.000 0.462 187 V N 2.112 122.097 119.914 0.118 0.000 2.822 187 V HA 0.327 4.447 4.120 -0.000 0.000 0.275 187 V C -1.645 174.533 176.094 0.140 0.000 1.267 187 V CA -0.616 61.742 62.300 0.097 0.000 0.933 187 V CB 1.116 32.973 31.823 0.057 0.000 1.082 187 V HN 0.775 nan 8.190 nan 0.000 0.465 188 W N 6.680 127.974 121.300 -0.010 0.000 2.449 188 W HA 0.872 5.532 4.660 -0.000 0.000 0.331 188 W C -0.985 175.528 176.519 -0.010 0.000 1.119 188 W CA -0.847 56.488 57.345 -0.017 0.000 1.240 188 W CB 1.227 30.659 29.460 -0.046 0.000 1.251 188 W HN 0.589 nan 8.180 nan 0.000 0.576 189 R N 1.740 122.283 120.500 0.073 0.000 2.836 189 R HA 0.533 4.873 4.340 -0.000 0.000 0.269 189 R C -0.673 175.688 176.300 0.101 0.000 1.010 189 R CA -1.365 54.666 56.100 -0.115 0.000 0.930 189 R CB 2.545 32.808 30.300 -0.062 0.000 1.218 189 R HN 0.434 nan 8.270 nan 0.000 0.473 190 R N 1.137 121.654 120.500 0.029 0.000 2.265 190 R HA 0.361 4.701 4.340 -0.000 0.000 0.319 190 R C -0.216 176.134 176.300 0.084 0.000 1.006 190 R CA -0.413 55.757 56.100 0.117 0.000 0.880 190 R CB 0.875 31.240 30.300 0.107 0.000 1.077 190 R HN 0.457 nan 8.270 nan 0.000 0.454 191 I N 3.644 124.264 120.570 0.083 0.000 2.278 191 I HA -0.031 4.139 4.170 -0.000 0.000 0.300 191 I C 1.316 177.560 176.117 0.212 0.000 1.174 191 I CA 0.031 61.396 61.300 0.108 0.000 1.347 191 I CB 0.488 38.521 38.000 0.055 0.000 1.473 191 I HN 0.626 nan 8.210 nan 0.000 0.595 192 E N 4.067 124.366 120.200 0.165 0.000 2.147 192 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 192 E C 0.561 177.282 176.600 0.201 0.000 1.005 192 E CA 1.453 57.952 56.400 0.164 0.000 0.810 192 E CB 0.130 29.885 29.700 0.092 0.000 0.736 192 E HN 0.623 nan 8.360 nan 0.000 0.460 193 N N -0.779 118.046 118.700 0.209 0.000 2.461 193 N HA 0.235 4.975 4.740 -0.000 0.000 0.284 193 N C -1.477 174.181 175.510 0.246 0.000 1.049 193 N CA -0.404 52.731 53.050 0.141 0.000 0.889 193 N CB 0.658 39.181 38.487 0.061 0.000 1.365 193 N HN -0.037 nan 8.380 nan 0.000 0.499 194 F N 1.270 121.256 119.950 0.061 0.000 2.629 194 F HA 0.822 5.349 4.527 0.000 0.000 0.316 194 F C -0.650 175.198 175.800 0.080 0.000 1.081 194 F CA -1.270 56.781 58.000 0.084 0.000 0.954 194 F CB 0.629 39.704 39.000 0.124 0.000 1.337 194 F HN 0.285 nan 8.300 nan 0.000 0.474 195 A N 3.497 126.471 122.820 0.256 0.000 2.363 195 A HA 0.640 4.960 4.320 -0.000 0.000 0.270 195 A C -0.088 177.635 177.584 0.231 0.000 1.121 195 A CA -0.592 51.532 52.037 0.145 0.000 0.800 195 A CB 0.308 19.401 19.000 0.155 0.000 1.052 195 A HN 0.751 nan 8.150 nan 0.000 0.493 196 M N 1.386 121.027 119.600 0.069 0.000 2.369 196 M HA 0.350 4.830 4.480 -0.000 0.000 0.291 196 M C 1.695 178.073 176.300 0.129 0.000 1.178 196 M CA -0.056 55.277 55.300 0.055 0.000 0.996 196 M CB 0.893 33.413 32.600 -0.132 0.000 1.472 196 M HN 0.866 nan 8.290 nan 0.000 0.496 197 A N 0.450 123.343 122.820 0.121 0.000 1.997 197 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 197 A C 1.736 179.378 177.584 0.097 0.000 1.172 197 A CA 1.682 53.820 52.037 0.169 0.000 0.645 197 A CB -0.340 18.744 19.000 0.140 0.000 0.813 197 A HN 0.783 nan 8.150 nan 0.000 0.454 198 Q N -2.729 117.094 119.800 0.039 0.000 2.376 198 Q HA 0.202 4.542 4.340 -0.000 0.000 0.206 198 Q C 1.437 177.451 176.000 0.023 0.000 0.921 198 Q CA 1.118 56.935 55.803 0.022 0.000 0.911 198 Q CB 0.648 29.382 28.738 -0.007 0.000 1.032 198 Q HN 0.961 nan 8.270 nan 0.000 0.510 199 G N 1.371 110.184 108.800 0.022 0.000 2.296 199 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.188 199 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.188 199 G C -0.037 174.855 174.900 -0.013 0.000 1.000 199 G CA -0.099 45.013 45.100 0.019 0.000 0.672 199 G HN 0.497 nan 8.290 nan 0.000 0.483 200 N N 0.966 119.639 118.700 -0.044 0.000 2.518 200 N HA 0.516 5.256 4.740 -0.000 0.000 0.266 200 N C 0.323 175.757 175.510 -0.127 0.000 1.196 200 N CA 0.276 53.280 53.050 -0.077 0.000 0.947 200 N CB 1.122 39.555 38.487 -0.090 0.000 1.098 200 N HN 0.098 nan 8.380 nan 0.000 0.450 201 S N 0.368 115.990 115.700 -0.130 0.000 2.572 201 S HA 0.070 4.540 4.470 -0.000 0.000 0.279 201 S C -0.060 174.355 174.600 -0.307 0.000 1.341 201 S CA -0.326 57.761 58.200 -0.188 0.000 1.043 201 S CB 0.720 63.847 63.200 -0.122 0.000 0.887 201 S HN 0.719 nan 8.310 nan 0.000 0.516 202 Q N 0.972 120.453 119.800 -0.532 0.000 2.379 202 Q HA 0.486 4.826 4.340 -0.000 0.000 0.278 202 Q C -1.618 174.018 176.000 -0.606 0.000 1.068 202 Q CA -0.554 54.837 55.803 -0.685 0.000 0.816 202 Q CB 1.563 29.620 28.738 -1.135 0.000 1.387 202 Q HN 0.540 nan 8.270 nan 0.000 0.413 203 Q N 0.309 119.961 119.800 -0.248 0.000 2.245 203 Q HA 0.615 4.955 4.340 -0.000 0.000 0.256 203 Q C -1.131 174.991 176.000 0.202 0.000 0.942 203 Q CA -0.211 55.590 55.803 -0.003 0.000 0.896 203 Q CB 2.112 30.849 28.738 -0.001 0.000 1.272 203 Q HN 0.627 nan 8.270 nan 0.000 0.442 204 T N 3.766 118.502 114.554 0.304 0.000 2.781 204 T HA 0.259 4.609 4.350 -0.000 0.000 0.305 204 T C -0.579 174.217 174.700 0.159 0.000 1.001 204 T CA -0.747 61.526 62.100 0.289 0.000 0.950 204 T CB 0.516 69.544 68.868 0.268 0.000 0.955 204 T HN 0.326 nan 8.240 nan 0.000 0.471 205 Q N 1.851 121.725 119.800 0.123 0.000 2.392 205 Q HA 0.383 4.723 4.340 -0.000 0.000 0.262 205 Q C 0.207 176.258 176.000 0.084 0.000 1.003 205 Q CA -0.268 55.586 55.803 0.084 0.000 0.888 205 Q CB 0.590 29.366 28.738 0.063 0.000 1.260 205 Q HN 0.799 nan 8.270 nan 0.000 0.435 206 A N 0.803 123.664 122.820 0.068 0.000 2.451 206 A HA 0.492 4.812 4.320 -0.000 0.000 0.266 206 A C 1.011 178.636 177.584 0.069 0.000 1.119 206 A CA 0.737 52.815 52.037 0.069 0.000 0.786 206 A CB -0.247 18.782 19.000 0.048 0.000 1.061 206 A HN 0.863 nan 8.150 nan 0.000 0.503 207 G N 1.445 110.299 108.800 0.091 0.000 3.272 207 G HA2 0.011 3.971 3.960 -0.000 0.000 0.219 207 G HA3 0.011 3.971 3.960 -0.000 0.000 0.219 207 G C 0.035 174.985 174.900 0.084 0.000 0.952 207 G CA 0.008 45.155 45.100 0.078 0.000 0.833 207 G HN 1.057 nan 8.290 nan 0.000 0.608 208 V N 2.772 122.753 119.914 0.110 0.000 2.673 208 V HA 0.494 4.614 4.120 -0.000 0.000 0.303 208 V C 0.874 177.006 176.094 0.063 0.000 1.046 208 V CA 1.012 63.352 62.300 0.066 0.000 1.126 208 V CB 0.958 32.835 31.823 0.091 0.000 0.934 208 V HN 0.726 nan 8.190 nan 0.000 0.487 209 T N 1.866 116.362 114.554 -0.096 0.000 2.848 209 T HA 0.700 5.050 4.350 -0.000 0.000 0.285 209 T C -0.895 173.561 174.700 -0.406 0.000 0.995 209 T CA -0.715 61.294 62.100 -0.153 0.000 0.970 209 T CB 1.542 70.382 68.868 -0.047 0.000 0.976 209 T HN 0.304 nan 8.240 nan 0.000 0.441 210 V N 3.777 123.306 119.914 -0.642 0.000 2.384 210 V HA 0.694 4.814 4.120 -0.000 0.000 0.287 210 V C 0.187 176.057 176.094 -0.374 0.000 1.020 210 V CA -0.739 61.114 62.300 -0.744 0.000 0.850 210 V CB 1.365 32.294 31.823 -1.490 0.000 0.987 210 V HN 1.175 nan 8.190 nan 0.000 0.436 211 S N 4.147 119.698 115.700 -0.247 0.000 2.502 211 S HA 0.801 5.271 4.470 -0.000 0.000 0.304 211 S C -0.872 173.637 174.600 -0.151 0.000 1.097 211 S CA -0.762 57.358 58.200 -0.132 0.000 1.045 211 S CB 1.838 65.006 63.200 -0.053 0.000 1.019 211 S HN 0.358 nan 8.310 nan 0.000 0.481 212 V N 2.522 122.354 119.914 -0.137 0.000 2.394 212 V HA 0.667 4.787 4.120 -0.000 0.000 0.282 212 V C 1.354 177.410 176.094 -0.064 0.000 1.031 212 V CA 0.081 62.286 62.300 -0.159 0.000 0.881 212 V CB 0.469 32.191 31.823 -0.170 0.000 0.982 212 V HN 1.499 nan 8.190 nan 0.000 0.451 213 G N 3.487 112.265 108.800 -0.037 0.000 2.337 213 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.290 213 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.290 213 G C 1.194 176.081 174.900 -0.022 0.000 1.003 213 G CA 1.178 46.276 45.100 -0.003 0.000 0.825 213 G HN 2.157 nan 8.290 nan 0.000 0.509 214 G N -2.732 106.044 108.800 -0.041 0.000 2.349 214 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.213 214 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.213 214 G C 0.804 175.688 174.900 -0.028 0.000 1.044 214 G CA 0.742 45.817 45.100 -0.041 0.000 0.633 214 G HN 1.876 nan 8.290 nan 0.000 0.506 215 V N 2.174 122.076 119.914 -0.020 0.000 2.583 215 V HA 0.550 4.670 4.120 -0.000 0.000 0.287 215 V C 0.158 176.244 176.094 -0.013 0.000 1.051 215 V CA 0.284 62.579 62.300 -0.009 0.000 1.010 215 V CB 1.420 33.244 31.823 0.001 0.000 0.988 215 V HN 0.419 nan 8.190 nan 0.000 0.478 216 D N 5.931 126.332 120.400 0.002 0.000 2.308 216 D HA 0.365 5.005 4.640 -0.000 0.000 0.251 216 D C -0.224 176.104 176.300 0.048 0.000 1.127 216 D CA -0.229 53.778 54.000 0.012 0.000 0.876 216 D CB 0.653 41.468 40.800 0.024 0.000 1.176 216 D HN 0.406 nan 8.370 nan 0.000 0.446 217 M N 2.393 122.040 119.600 0.079 0.000 2.578 217 M HA 0.427 4.907 4.480 -0.000 0.000 0.321 217 M C 0.317 176.832 176.300 0.358 0.000 1.182 217 M CA -0.586 54.819 55.300 0.175 0.000 0.965 217 M CB 1.698 34.398 32.600 0.167 0.000 1.694 217 M HN 0.327 nan 8.290 nan 0.000 0.461 218 R N 0.301 120.957 120.500 0.261 0.000 2.543 218 R HA 0.729 5.069 4.340 -0.000 0.000 0.268 218 R C -0.179 176.072 176.300 -0.082 0.000 1.067 218 R CA -0.542 55.648 56.100 0.151 0.000 1.142 218 R CB 0.867 31.181 30.300 0.023 0.000 1.110 218 R HN 0.820 nan 8.270 nan 0.000 0.549 219 A N 0.076 122.539 122.820 -0.594 0.000 2.304 219 A HA 0.510 4.830 4.320 -0.000 0.000 0.301 219 A C 0.941 178.168 177.584 -0.595 0.000 1.132 219 A CA 0.251 51.492 52.037 -1.326 0.000 0.819 219 A CB 0.623 18.646 19.000 -1.628 0.000 1.094 219 A HN 0.847 nan 8.150 nan 0.000 0.492 220 G N 0.230 108.740 108.800 -0.484 0.000 2.184 220 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.264 220 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.264 220 G C 0.314 175.140 174.900 -0.124 0.000 0.975 220 G CA 0.903 45.866 45.100 -0.229 0.000 0.642 220 G HN 0.859 nan 8.290 nan 0.000 0.536 221 R N -0.381 120.050 120.500 -0.114 0.000 2.732 221 R HA 0.764 5.104 4.340 -0.000 0.000 0.278 221 R C 0.764 177.078 176.300 0.025 0.000 0.976 221 R CA -0.847 55.239 56.100 -0.024 0.000 0.963 221 R CB 0.734 31.030 30.300 -0.007 0.000 1.150 221 R HN 0.253 nan 8.270 nan 0.000 0.478 222 I N 3.423 124.028 120.570 0.059 0.000 2.519 222 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 222 I C 0.010 176.182 176.117 0.092 0.000 1.047 222 I CA 0.002 61.358 61.300 0.093 0.000 1.381 222 I CB 0.608 38.690 38.000 0.135 0.000 1.417 222 I HN 0.329 nan 8.210 nan 0.000 0.540 223 I N 4.782 125.395 120.570 0.072 0.000 2.466 223 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 223 I C 0.015 176.078 176.117 -0.089 0.000 1.026 223 I CA -0.696 60.619 61.300 0.024 0.000 1.078 223 I CB 1.993 40.011 38.000 0.030 0.000 1.249 223 I HN 0.593 nan 8.210 nan 0.000 0.429 224 A N 6.189 128.935 122.820 -0.122 0.000 2.527 224 A HA 0.251 4.571 4.320 -0.000 0.000 0.313 224 A C -1.172 176.328 177.584 -0.139 0.000 1.410 224 A CA -0.117 51.724 52.037 -0.328 0.000 1.060 224 A CB -0.292 18.594 19.000 -0.190 0.000 1.137 224 A HN 0.685 nan 8.150 nan 0.000 0.542 225 W N 4.373 125.433 121.300 -0.399 0.000 2.376 225 W HA 0.362 5.022 4.660 -0.000 0.000 0.312 225 W C 0.379 176.739 176.519 -0.265 0.000 1.060 225 W CA -1.376 55.794 57.345 -0.292 0.000 1.221 225 W CB 1.112 30.384 29.460 -0.314 0.000 1.281 225 W HN 0.779 nan 8.180 nan 0.000 0.456 226 D N 3.075 123.216 120.400 -0.431 0.000 2.363 226 D HA 0.014 4.654 4.640 -0.000 0.000 0.226 226 D C 1.541 177.344 176.300 -0.828 0.000 1.020 226 D CA 0.802 54.507 54.000 -0.491 0.000 0.892 226 D CB -0.099 40.561 40.800 -0.233 0.000 0.900 226 D HN 0.802 nan 8.370 nan 0.000 0.531 227 G N 0.923 108.593 108.800 -1.882 0.000 2.245 227 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 227 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 227 G C 1.182 175.575 174.900 -0.846 0.000 0.985 227 G CA 0.469 44.450 45.100 -1.866 0.000 0.625 227 G HN 0.385 nan 8.290 nan 0.000 0.536 228 Q N -0.376 119.165 119.800 -0.432 0.000 2.353 228 Q HA 0.526 4.866 4.340 -0.000 0.000 0.240 228 Q C 1.558 177.642 176.000 0.140 0.000 0.868 228 Q CA 0.810 56.570 55.803 -0.072 0.000 0.944 228 Q CB 0.437 29.125 28.738 -0.083 0.000 1.104 228 Q HN 0.978 nan 8.270 nan 0.000 0.531 229 A N 1.333 124.331 122.820 0.296 0.000 2.406 229 A HA 0.512 4.832 4.320 -0.000 0.000 0.243 229 A C 0.093 177.879 177.584 0.337 0.000 1.082 229 A CA 0.240 52.475 52.037 0.330 0.000 0.786 229 A CB 0.169 19.368 19.000 0.331 0.000 1.029 229 A HN 0.227 nan 8.150 nan 0.000 0.495 230 A N 1.083 123.975 122.820 0.120 0.000 2.473 230 A HA 0.421 4.741 4.320 -0.000 0.000 0.282 230 A C -0.084 177.447 177.584 -0.088 0.000 1.163 230 A CA -0.144 51.912 52.037 0.031 0.000 0.827 230 A CB -0.615 18.376 19.000 -0.014 0.000 1.098 230 A HN 1.119 nan 8.150 nan 0.000 0.515 231 L N 4.341 125.461 121.223 -0.170 0.000 2.328 231 L HA 0.351 4.691 4.340 -0.000 0.000 0.280 231 L C -0.271 176.501 176.870 -0.163 0.000 1.111 231 L CA 0.057 54.679 54.840 -0.364 0.000 0.909 231 L CB -0.307 41.368 42.059 -0.641 0.000 1.277 231 L HN 0.722 nan 8.230 nan 0.000 0.433 232 H N 2.755 121.673 119.070 -0.254 0.000 2.466 232 H HA 0.690 5.246 4.556 0.000 0.000 0.338 232 H C -1.173 174.001 175.328 -0.256 0.000 1.091 232 H CA -0.562 55.363 56.048 -0.206 0.000 1.207 232 H CB 1.409 31.081 29.762 -0.150 0.000 1.466 232 H HN 0.305 nan 8.280 nan 0.000 0.493 233 V N 6.226 125.767 119.914 -0.622 0.000 2.459 233 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 233 V C 0.008 175.763 176.094 -0.565 0.000 1.029 233 V CA -0.835 61.142 62.300 -0.539 0.000 0.874 233 V CB 1.530 33.095 31.823 -0.431 0.000 0.985 233 V HN 0.754 nan 8.190 nan 0.000 0.438 234 R N 2.628 122.904 120.500 -0.373 0.000 2.670 234 R HA 0.486 4.826 4.340 -0.000 0.000 0.289 234 R C -0.731 175.483 176.300 -0.144 0.000 0.965 234 R CA -0.743 55.216 56.100 -0.235 0.000 0.899 234 R CB 1.711 31.937 30.300 -0.124 0.000 1.173 234 R HN 0.662 nan 8.270 nan 0.000 0.456 235 N N 3.319 121.964 118.700 -0.092 0.000 2.851 235 N HA 0.198 4.938 4.740 -0.000 0.000 0.248 235 N C -2.076 173.427 175.510 -0.012 0.000 1.221 235 N CA -2.189 50.837 53.050 -0.039 0.000 0.847 235 N CB 1.118 39.593 38.487 -0.020 0.000 1.150 235 N HN 0.331 nan 8.380 nan 0.000 0.507 236 P HA 0.018 nan 4.420 nan 0.000 0.245 236 P C 0.289 177.598 177.300 0.015 0.000 1.212 236 P CA 0.247 63.351 63.100 0.006 0.000 0.774 236 P CB 0.337 32.042 31.700 0.008 0.000 0.999 237 T N 1.225 115.792 114.554 0.022 0.000 2.904 237 T HA 0.123 4.473 4.350 -0.000 0.000 0.290 237 T C 0.951 175.667 174.700 0.026 0.000 1.018 237 T CA -0.208 61.909 62.100 0.029 0.000 1.075 237 T CB 0.440 69.334 68.868 0.044 0.000 0.986 237 T HN -0.075 nan 8.240 nan 0.000 0.523 238 Q N 2.998 122.811 119.800 0.021 0.000 2.292 238 Q HA 0.249 4.589 4.340 -0.000 0.000 0.247 238 Q C -0.000 176.007 176.000 0.011 0.000 0.911 238 Q CA 0.394 56.205 55.803 0.013 0.000 0.948 238 Q CB 0.010 28.752 28.738 0.006 0.000 1.093 238 Q HN 0.594 nan 8.270 nan 0.000 0.428 239 Q N -0.425 119.390 119.800 0.026 0.000 2.590 239 Q HA 0.302 4.642 4.340 -0.000 0.000 0.295 239 Q C -0.948 175.089 176.000 0.062 0.000 0.973 239 Q CA -0.821 54.997 55.803 0.025 0.000 0.768 239 Q CB 1.502 30.260 28.738 0.032 0.000 1.479 239 Q HN 0.208 nan 8.270 nan 0.000 0.419 240 N N -0.127 118.606 118.700 0.056 0.000 2.415 240 N HA 0.482 5.222 4.740 -0.000 0.000 0.248 240 N C -1.025 174.661 175.510 0.294 0.000 1.271 240 N CA 0.200 53.332 53.050 0.137 0.000 0.913 240 N CB 0.682 39.085 38.487 -0.140 0.000 1.129 240 N HN 0.541 nan 8.380 nan 0.000 0.444 241 A N 0.936 123.943 122.820 0.312 0.000 2.549 241 A HA 0.676 4.996 4.320 -0.000 0.000 0.297 241 A C -1.224 176.306 177.584 -0.091 0.000 1.061 241 A CA -0.616 51.500 52.037 0.131 0.000 0.690 241 A CB 1.167 20.221 19.000 0.090 0.000 1.287 241 A HN 0.557 nan 8.150 nan 0.000 0.402 242 M N 2.593 121.979 119.600 -0.357 0.000 2.151 242 M HA 0.451 4.931 4.480 -0.000 0.000 0.290 242 M C -0.945 175.240 176.300 -0.191 0.000 0.965 242 M CA -0.763 54.286 55.300 -0.419 0.000 0.930 242 M CB 1.990 34.097 32.600 -0.822 0.000 1.560 242 M HN 0.703 nan 8.290 nan 0.000 0.438 243 V N 1.723 121.570 119.914 -0.112 0.000 2.555 243 V HA 0.670 4.790 4.120 -0.000 0.000 0.302 243 V C -0.744 175.354 176.094 0.005 0.000 1.038 243 V CA -0.769 61.544 62.300 0.022 0.000 0.887 243 V CB 1.556 33.429 31.823 0.083 0.000 0.991 243 V HN 0.942 nan 8.190 nan 0.000 0.434 244 Q N 3.986 123.829 119.800 0.071 0.000 2.271 244 Q HA 0.787 5.127 4.340 -0.000 0.000 0.258 244 Q C -1.209 174.867 176.000 0.127 0.000 0.936 244 Q CA -0.670 55.165 55.803 0.054 0.000 0.909 244 Q CB 2.258 31.023 28.738 0.045 0.000 1.253 244 Q HN 0.794 nan 8.270 nan 0.000 0.440 245 I N 2.442 123.075 120.570 0.105 0.000 2.404 245 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 245 I C -0.514 175.712 176.117 0.182 0.000 0.992 245 I CA -0.775 60.626 61.300 0.169 0.000 1.149 245 I CB 2.058 40.148 38.000 0.150 0.000 1.315 245 I HN 0.705 nan 8.210 nan 0.000 0.446 246 Q N 5.424 125.336 119.800 0.187 0.000 2.333 246 Q HA 0.422 4.762 4.340 -0.000 0.000 0.267 246 Q C -1.490 174.626 176.000 0.194 0.000 1.012 246 Q CA -0.687 55.232 55.803 0.194 0.000 0.824 246 Q CB 2.539 31.368 28.738 0.153 0.000 1.290 246 Q HN 0.478 nan 8.270 nan 0.000 0.449 247 V N 5.702 125.757 119.914 0.235 0.000 2.313 247 V HA 0.007 4.127 4.120 -0.000 0.000 0.252 247 V C 1.081 177.303 176.094 0.214 0.000 1.112 247 V CA 0.185 62.598 62.300 0.188 0.000 0.984 247 V CB 0.713 32.633 31.823 0.163 0.000 1.157 247 V HN 0.805 nan 8.190 nan 0.000 0.493 248 V N 7.155 127.169 119.914 0.166 0.000 2.515 248 V HA 0.041 4.161 4.120 -0.000 0.000 0.250 248 V C 0.387 176.697 176.094 0.360 0.000 1.058 248 V CA 1.964 64.392 62.300 0.214 0.000 1.064 248 V CB -0.267 31.661 31.823 0.174 0.000 0.675 248 V HN 0.874 nan 8.190 nan 0.000 0.461 249 F N -1.491 118.627 119.950 0.281 0.000 2.765 249 F HA 0.552 5.079 4.527 -0.000 0.000 0.313 249 F C -1.413 174.674 175.800 0.478 0.000 1.136 249 F CA -1.794 56.394 58.000 0.314 0.000 0.952 249 F CB 0.043 39.112 39.000 0.115 0.000 1.268 249 F HN 0.122 nan 8.300 nan 0.000 0.441 250 Y N 2.500 123.070 120.300 0.450 0.000 2.634 250 Y HA 0.910 5.460 4.550 0.000 0.000 0.340 250 Y C -0.991 175.130 175.900 0.369 0.000 1.058 250 Y CA -2.770 55.559 58.100 0.382 0.000 1.081 250 Y CB 1.362 40.017 38.460 0.325 0.000 1.295 250 Y HN 0.899 nan 8.280 nan 0.000 0.487 251 I N 0.890 121.603 120.570 0.239 0.000 2.545 251 I HA 0.930 5.100 4.170 -0.000 0.000 0.292 251 I C -0.727 175.397 176.117 0.012 0.000 1.040 251 I CA -0.801 60.526 61.300 0.045 0.000 1.068 251 I CB 2.346 40.450 38.000 0.173 0.000 1.251 251 I HN 0.835 nan 8.210 nan 0.000 0.424 252 S N 4.597 120.251 115.700 -0.077 0.000 2.685 252 S HA 0.561 5.031 4.470 -0.000 0.000 0.282 252 S C -0.027 174.562 174.600 -0.018 0.000 1.159 252 S CA -1.007 57.173 58.200 -0.032 0.000 0.833 252 S CB 2.001 65.175 63.200 -0.043 0.000 1.151 252 S HN 0.779 nan 8.310 nan 0.000 0.485 253 M N 1.146 120.747 119.600 0.001 0.000 2.571 253 M HA 0.233 4.713 4.480 -0.000 0.000 0.235 253 M C -0.840 175.518 176.300 0.097 0.000 1.216 253 M CA 0.021 55.355 55.300 0.055 0.000 0.979 253 M CB -0.582 32.040 32.600 0.037 0.000 1.616 253 M HN 0.506 nan 8.290 nan 0.000 0.469 254 D N 2.082 122.502 120.400 0.034 0.000 2.264 254 D HA 0.154 4.794 4.640 -0.000 0.000 0.250 254 D C 0.144 176.466 176.300 0.036 0.000 1.113 254 D CA 0.000 54.023 54.000 0.039 0.000 0.871 254 D CB 1.017 41.808 40.800 -0.015 0.000 1.167 254 D HN -0.109 nan 8.370 nan 0.000 0.447 255 K N 1.482 121.918 120.400 0.061 0.000 2.451 255 K HA 0.112 4.432 4.320 -0.000 0.000 0.280 255 K C 0.762 177.379 176.600 0.028 0.000 1.020 255 K CA -0.006 56.307 56.287 0.044 0.000 1.008 255 K CB 0.299 32.828 32.500 0.047 0.000 0.917 255 K HN 0.554 nan 8.250 nan 0.000 0.478 256 T N -1.383 113.177 114.554 0.010 0.000 2.876 256 T HA 0.319 4.669 4.350 -0.000 0.000 0.277 256 T C 1.065 175.775 174.700 0.016 0.000 0.997 256 T CA -0.817 61.278 62.100 -0.008 0.000 0.966 256 T CB 0.464 69.298 68.868 -0.055 0.000 1.312 256 T HN 0.215 nan 8.240 nan 0.000 0.598 257 L N 0.600 121.826 121.223 0.004 0.000 2.610 257 L HA 0.330 4.670 4.340 -0.000 0.000 0.232 257 L C 1.125 178.016 176.870 0.035 0.000 1.149 257 L CA 0.904 55.761 54.840 0.029 0.000 0.872 257 L CB -1.107 40.963 42.059 0.019 0.000 0.992 257 L HN 0.615 nan 8.230 nan 0.000 0.447 258 N N -1.484 117.223 118.700 0.011 0.000 2.273 258 N HA -0.002 4.738 4.740 -0.000 0.000 0.231 258 N C 1.357 176.880 175.510 0.022 0.000 1.134 258 N CA -0.102 52.952 53.050 0.007 0.000 0.856 258 N CB 0.300 38.769 38.487 -0.030 0.000 1.068 258 N HN 0.429 nan 8.380 nan 0.000 0.510 259 Q N -0.294 119.538 119.800 0.054 0.000 2.230 259 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 259 Q C -0.269 175.803 176.000 0.121 0.000 0.963 259 Q CA 0.943 56.786 55.803 0.066 0.000 0.866 259 Q CB 0.010 28.787 28.738 0.065 0.000 0.931 259 Q HN 0.455 nan 8.270 nan 0.000 0.452 260 Y N 1.316 121.612 120.300 -0.007 0.000 2.433 260 Y HA 0.378 4.928 4.550 -0.000 0.000 0.337 260 Y C -2.744 173.157 175.900 0.001 0.000 1.026 260 Y CA -3.064 55.034 58.100 -0.004 0.000 1.037 260 Y CB 1.838 40.298 38.460 0.001 0.000 1.245 260 Y HN -0.093 nan 8.280 nan 0.000 0.443 261 P HA -0.002 nan 4.420 nan 0.000 0.257 261 P C 0.245 177.528 177.300 -0.029 0.000 1.162 261 P CA 1.840 64.782 63.100 -0.263 0.000 0.762 261 P CB 0.352 31.809 31.700 -0.406 0.000 0.753 262 A N 2.858 125.697 122.820 0.032 0.000 2.798 262 A HA -0.250 4.070 4.320 -0.000 0.000 0.282 262 A C 1.447 179.128 177.584 0.162 0.000 1.464 262 A CA 1.008 53.096 52.037 0.084 0.000 0.844 262 A CB -2.430 16.610 19.000 0.067 0.000 1.006 262 A HN 0.623 nan 8.150 nan 0.000 0.577 263 L N -1.160 120.198 121.223 0.224 0.000 2.051 263 L HA -0.280 4.060 4.340 -0.000 0.000 0.214 263 L C 2.647 179.610 176.870 0.155 0.000 1.076 263 L CA 2.720 57.693 54.840 0.221 0.000 0.758 263 L CB -0.568 41.610 42.059 0.197 0.000 0.890 263 L HN 0.725 nan 8.230 nan 0.000 0.433 264 T N -0.152 114.478 114.554 0.126 0.000 2.570 264 T HA -0.318 4.032 4.350 -0.000 0.000 0.266 264 T C 1.859 176.656 174.700 0.161 0.000 1.071 264 T CA 1.727 63.896 62.100 0.115 0.000 1.172 264 T CB -0.624 68.283 68.868 0.065 0.000 0.864 264 T HN 0.582 nan 8.240 nan 0.000 0.421 265 A N 1.822 124.729 122.820 0.145 0.000 1.948 265 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 265 A C 2.332 180.068 177.584 0.253 0.000 1.177 265 A CA 1.690 53.843 52.037 0.194 0.000 0.636 265 A CB -0.511 18.570 19.000 0.136 0.000 0.815 265 A HN 0.460 nan 8.150 nan 0.000 0.449 266 E N 0.003 120.318 120.200 0.192 0.000 2.031 266 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 266 E C 2.036 178.746 176.600 0.183 0.000 0.994 266 E CA 1.318 57.815 56.400 0.161 0.000 0.800 266 E CB -0.555 29.221 29.700 0.126 0.000 0.752 266 E HN 0.749 nan 8.360 nan 0.000 0.447 267 I N 0.854 121.554 120.570 0.217 0.000 2.151 267 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 267 I C 2.456 178.806 176.117 0.389 0.000 1.080 267 I CA 1.235 62.713 61.300 0.297 0.000 1.339 267 I CB -0.400 37.768 38.000 0.279 0.000 1.039 267 I HN -0.008 nan 8.210 nan 0.000 0.409 268 F N 2.046 122.114 119.950 0.196 0.000 2.069 268 F HA -0.307 4.220 4.527 -0.000 0.000 0.298 268 F C 2.327 178.249 175.800 0.204 0.000 1.113 268 F CA 2.157 60.267 58.000 0.182 0.000 1.214 268 F CB -0.847 38.216 39.000 0.106 0.000 0.978 268 F HN 0.112 nan 8.300 nan 0.000 0.474 269 N N 0.207 118.894 118.700 -0.021 0.000 2.149 269 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 269 N C 1.771 177.245 175.510 -0.059 0.000 1.019 269 N CA 1.926 54.889 53.050 -0.146 0.000 0.857 269 N CB -0.019 38.474 38.487 0.010 0.000 0.997 269 N HN 0.310 nan 8.380 nan 0.000 0.426 270 V N -0.013 119.943 119.914 0.071 0.000 2.283 270 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 270 V C 1.523 177.690 176.094 0.122 0.000 1.039 270 V CA 1.406 63.775 62.300 0.116 0.000 1.016 270 V CB -1.116 30.707 31.823 0.001 0.000 0.650 270 V HN 0.272 nan 8.190 nan 0.000 0.449 271 Y N 0.961 121.337 120.300 0.126 0.000 2.680 271 Y HA 0.068 4.618 4.550 -0.000 0.000 0.303 271 Y C 1.683 177.715 175.900 0.219 0.000 1.166 271 Y CA 0.114 58.319 58.100 0.174 0.000 1.344 271 Y CB -0.432 38.125 38.460 0.162 0.000 1.002 271 Y HN 0.145 nan 8.280 nan 0.000 0.537 272 S N 0.111 115.908 115.700 0.163 0.000 2.585 272 S HA -0.003 4.467 4.470 -0.000 0.000 0.273 272 S C 0.878 175.720 174.600 0.404 0.000 1.339 272 S CA -0.687 57.558 58.200 0.075 0.000 1.028 272 S CB 0.557 63.544 63.200 -0.356 0.000 0.906 272 S HN 0.312 nan 8.310 nan 0.000 0.528 273 F N 2.526 122.643 119.950 0.279 0.000 2.053 273 F HA -0.005 4.522 4.527 0.000 0.000 0.292 273 F C 1.910 177.860 175.800 0.250 0.000 1.125 273 F CA 1.776 59.965 58.000 0.314 0.000 1.193 273 F CB -0.154 38.977 39.000 0.217 0.000 0.996 273 F HN 0.749 nan 8.300 nan 0.000 0.470 274 R N -0.471 119.973 120.500 -0.093 0.000 1.254 274 R HA -0.293 4.047 4.340 -0.000 0.000 0.021 274 R C -0.565 175.436 176.300 -0.498 0.000 0.960 274 R CA 1.894 57.848 56.100 -0.243 0.000 1.975 274 R CB -2.120 27.998 30.300 -0.303 0.000 0.151 274 R HN 0.577 nan 8.270 nan 0.000 0.730 275 D N -2.146 117.719 120.400 -0.891 0.000 2.692 275 D HA 0.275 4.915 4.640 -0.000 0.000 0.303 275 D C 0.203 175.875 176.300 -1.046 0.000 1.278 275 D CA -0.434 52.998 54.000 -0.947 0.000 0.852 275 D CB 0.001 40.661 40.800 -0.232 0.000 1.375 275 D HN 0.258 nan 8.370 nan 0.000 0.453 276 H N -0.871 118.008 119.070 -0.318 0.000 2.319 276 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 276 H C 1.480 176.745 175.328 -0.105 0.000 1.092 276 H CA 2.695 58.717 56.048 -0.043 0.000 1.302 276 H CB -0.292 29.512 29.762 0.069 0.000 1.373 276 H HN 0.467 nan 8.280 nan 0.000 0.497 277 T N 0.895 115.428 114.554 -0.035 0.000 2.607 277 T HA -0.283 4.067 4.350 -0.000 0.000 0.267 277 T C 1.817 176.365 174.700 -0.253 0.000 1.049 277 T CA 1.414 63.412 62.100 -0.171 0.000 1.162 277 T CB -0.708 68.007 68.868 -0.254 0.000 0.863 277 T HN 0.566 nan 8.240 nan 0.000 0.424 278 W N 1.917 122.898 121.300 -0.531 0.000 2.317 278 W HA -0.308 4.352 4.660 -0.000 0.000 0.318 278 W C 2.316 178.593 176.519 -0.404 0.000 1.227 278 W CA 1.905 58.808 57.345 -0.737 0.000 1.269 278 W CB -0.846 28.015 29.460 -0.998 0.000 1.155 278 W HN 0.433 nan 8.180 nan 0.000 0.484 279 H N -0.348 118.389 119.070 -0.555 0.000 2.261 279 H HA -0.196 4.360 4.556 -0.000 0.000 0.290 279 H C 2.489 177.549 175.328 -0.447 0.000 1.081 279 H CA 3.546 59.322 56.048 -0.453 0.000 1.196 279 H CB -0.992 28.695 29.762 -0.125 0.000 1.350 279 H HN 0.151 nan 8.280 nan 0.000 0.498 280 G N 0.973 109.632 108.800 -0.234 0.000 2.475 280 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 280 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 280 G C 1.858 176.559 174.900 -0.333 0.000 1.125 280 G CA 0.829 45.789 45.100 -0.233 0.000 0.755 280 G HN 0.439 nan 8.290 nan 0.000 0.565 281 L N 0.192 121.163 121.223 -0.419 0.000 1.961 281 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 281 L C 2.899 179.422 176.870 -0.578 0.000 1.072 281 L CA 1.821 56.414 54.840 -0.412 0.000 0.749 281 L CB -0.499 41.330 42.059 -0.383 0.000 0.889 281 L HN 0.230 nan 8.230 nan 0.000 0.432 282 R N -0.451 119.448 120.500 -1.002 0.000 2.133 282 R HA -0.194 4.146 4.340 -0.000 0.000 0.247 282 R C 1.884 177.835 176.300 -0.582 0.000 1.151 282 R CA 2.308 57.836 56.100 -0.953 0.000 0.971 282 R CB -0.573 28.941 30.300 -1.311 0.000 0.866 282 R HN 0.444 nan 8.270 nan 0.000 0.447 283 T N 0.840 115.060 114.554 -0.556 0.000 2.612 283 T HA -0.061 4.289 4.350 -0.000 0.000 0.259 283 T C 1.907 176.450 174.700 -0.262 0.000 1.065 283 T CA 1.689 63.555 62.100 -0.389 0.000 1.167 283 T CB -0.589 68.040 68.868 -0.398 0.000 0.863 283 T HN 0.452 nan 8.240 nan 0.000 0.407 284 A N 1.075 123.755 122.820 -0.233 0.000 2.009 284 A HA -0.167 4.153 4.320 -0.000 0.000 0.222 284 A C 2.276 179.779 177.584 -0.135 0.000 1.175 284 A CA 1.649 53.597 52.037 -0.147 0.000 0.651 284 A CB -1.048 17.881 19.000 -0.119 0.000 0.815 284 A HN 0.575 nan 8.150 nan 0.000 0.459 285 I N -1.475 118.984 120.570 -0.185 0.000 2.162 285 I HA -0.221 3.949 4.170 -0.000 0.000 0.238 285 I C 2.625 178.664 176.117 -0.129 0.000 1.076 285 I CA 1.438 62.646 61.300 -0.153 0.000 1.353 285 I CB -0.437 37.447 38.000 -0.192 0.000 1.063 285 I HN 0.249 nan 8.210 nan 0.000 0.408 286 R N 0.973 121.376 120.500 -0.162 0.000 2.249 286 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 286 R C 1.754 178.008 176.300 -0.077 0.000 1.121 286 R CA 0.918 56.945 56.100 -0.122 0.000 0.997 286 R CB -0.462 29.745 30.300 -0.154 0.000 0.867 286 R HN 0.408 nan 8.270 nan 0.000 0.465 287 N N 0.473 119.124 118.700 -0.081 0.000 2.453 287 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 287 N C 1.169 176.658 175.510 -0.035 0.000 1.041 287 N CA 0.953 53.972 53.050 -0.051 0.000 0.900 287 N CB 0.041 38.496 38.487 -0.053 0.000 0.961 287 N HN 0.026 nan 8.380 nan 0.000 0.443 288 R N -0.148 120.327 120.500 -0.041 0.000 2.300 288 R HA 0.130 4.470 4.340 -0.000 0.000 0.199 288 R C 0.710 176.996 176.300 -0.023 0.000 0.920 288 R CA 0.185 56.267 56.100 -0.029 0.000 1.046 288 R CB -0.242 30.039 30.300 -0.031 0.000 0.984 288 R HN 0.326 nan 8.270 nan 0.000 0.493 289 T N -4.299 110.240 114.554 -0.025 0.000 2.889 289 T HA 0.216 4.566 4.350 -0.000 0.000 0.278 289 T C 1.188 175.888 174.700 0.001 0.000 0.995 289 T CA -0.145 61.946 62.100 -0.015 0.000 0.966 289 T CB 1.459 70.314 68.868 -0.022 0.000 1.237 289 T HN 0.101 nan 8.240 nan 0.000 0.591 290 T N -1.304 113.257 114.554 0.013 0.000 3.107 290 T HA 0.292 4.642 4.350 -0.000 0.000 0.249 290 T C 0.391 175.120 174.700 0.047 0.000 1.096 290 T CA -0.314 61.803 62.100 0.028 0.000 1.012 290 T CB -0.320 68.567 68.868 0.031 0.000 0.977 290 T HN 0.264 nan 8.240 nan 0.000 0.527 291 L N 3.171 124.421 121.223 0.046 0.000 2.375 291 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 291 L C -2.134 174.793 176.870 0.095 0.000 1.107 291 L CA -2.641 52.249 54.840 0.083 0.000 0.806 291 L CB 0.397 42.505 42.059 0.081 0.000 1.146 291 L HN -0.018 nan 8.230 nan 0.000 0.447 292 P HA 0.034 nan 4.420 nan 0.000 0.263 292 P C -0.049 177.374 177.300 0.205 0.000 1.195 292 P CA -0.155 63.046 63.100 0.169 0.000 0.762 292 P CB 0.337 32.141 31.700 0.173 0.000 0.799 293 N N 4.327 123.085 118.700 0.096 0.000 2.364 293 N HA -0.185 4.555 4.740 -0.000 0.000 0.183 293 N C 1.084 176.606 175.510 0.020 0.000 1.022 293 N CA 1.641 54.693 53.050 0.004 0.000 0.883 293 N CB -0.695 37.766 38.487 -0.044 0.000 0.965 293 N HN 0.579 nan 8.380 nan 0.000 0.438 294 M N -3.125 116.617 119.600 0.237 0.000 2.439 294 M HA 0.377 4.857 4.480 -0.000 0.000 0.435 294 M C -1.012 175.644 176.300 0.594 0.000 1.072 294 M CA -0.233 55.289 55.300 0.371 0.000 0.953 294 M CB 0.805 33.489 32.600 0.140 0.000 1.896 294 M HN -0.179 nan 8.290 nan 0.000 0.632 295 L N 2.738 124.197 121.223 0.394 0.000 2.439 295 L HA 0.635 4.975 4.340 -0.000 0.000 0.270 295 L C -2.527 174.060 176.870 -0.472 0.000 0.972 295 L CA -1.691 53.136 54.840 -0.020 0.000 0.836 295 L CB 2.425 44.504 42.059 0.032 0.000 1.255 295 L HN -0.170 nan 8.230 nan 0.000 0.404 296 P HA -0.074 nan 4.420 nan 0.000 0.257 296 P C -2.233 174.863 177.300 -0.341 0.000 1.153 296 P CA -0.356 62.200 63.100 -0.906 0.000 0.762 296 P CB -0.265 31.133 31.700 -0.504 0.000 0.743 297 P HA -0.002 nan 4.420 nan 0.000 0.266 297 P C 0.630 177.872 177.300 -0.096 0.000 1.195 297 P CA 0.203 63.275 63.100 -0.047 0.000 0.768 297 P CB 0.702 32.441 31.700 0.065 0.000 0.838 298 I N 1.749 122.203 120.570 -0.192 0.000 2.226 298 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 298 I C 1.055 176.943 176.117 -0.382 0.000 1.100 298 I CA 1.465 62.530 61.300 -0.392 0.000 1.374 298 I CB -0.652 36.910 38.000 -0.729 0.000 1.057 298 I HN 0.183 nan 8.210 nan 0.000 0.413 299 F N 2.261 122.257 119.950 0.077 0.000 2.436 299 F HA 0.409 4.936 4.527 -0.000 0.000 0.340 299 F C -2.043 173.797 175.800 0.066 0.000 1.113 299 F CA -3.624 54.428 58.000 0.086 0.000 1.022 299 F CB 0.022 39.069 39.000 0.078 0.000 1.128 299 F HN -0.193 nan 8.300 nan 0.000 0.466 300 P HA 0.130 nan 4.420 nan 0.000 0.267 300 P C -2.568 174.815 177.300 0.138 0.000 1.209 300 P CA -0.861 62.330 63.100 0.152 0.000 0.763 300 P CB 0.226 31.994 31.700 0.114 0.000 0.816 301 P HA 0.003 nan 4.420 nan 0.000 0.271 301 P C 0.789 178.122 177.300 0.056 0.000 1.238 301 P CA 0.195 63.345 63.100 0.082 0.000 0.794 301 P CB 0.326 32.065 31.700 0.064 0.000 0.959 302 N N -0.578 118.145 118.700 0.037 0.000 2.118 302 N HA 0.014 4.754 4.740 -0.000 0.000 0.226 302 N C -0.915 174.584 175.510 -0.018 0.000 1.305 302 N CA -0.095 52.965 53.050 0.016 0.000 0.890 302 N CB 0.402 38.911 38.487 0.036 0.000 1.118 302 N HN 0.387 nan 8.380 nan 0.000 0.511 303 D N 0.541 120.933 120.400 -0.013 0.000 2.198 303 D HA 0.175 4.815 4.640 -0.000 0.000 0.247 303 D C 0.885 177.160 176.300 -0.041 0.000 1.010 303 D CA -0.631 53.350 54.000 -0.032 0.000 0.880 303 D CB 2.860 43.650 40.800 -0.016 0.000 1.209 303 D HN -0.109 nan 8.370 nan 0.000 0.451 304 R N 1.449 121.915 120.500 -0.056 0.000 2.154 304 R HA -0.227 4.113 4.340 -0.000 0.000 0.236 304 R C 1.023 177.289 176.300 -0.055 0.000 1.121 304 R CA 2.295 58.358 56.100 -0.061 0.000 0.915 304 R CB -0.411 29.852 30.300 -0.062 0.000 0.856 304 R HN 0.533 nan 8.270 nan 0.000 0.431 305 D N 0.017 120.391 120.400 -0.044 0.000 2.191 305 D HA -0.189 4.451 4.640 -0.000 0.000 0.195 305 D C 1.948 178.226 176.300 -0.037 0.000 1.003 305 D CA 1.706 55.683 54.000 -0.039 0.000 0.867 305 D CB -0.248 40.535 40.800 -0.028 0.000 0.926 305 D HN 0.289 nan 8.370 nan 0.000 0.450 306 S N 0.605 116.289 115.700 -0.027 0.000 2.361 306 S HA -0.124 4.346 4.470 -0.000 0.000 0.214 306 S C 2.146 176.725 174.600 -0.034 0.000 1.034 306 S CA 0.534 58.725 58.200 -0.015 0.000 1.025 306 S CB -0.152 63.051 63.200 0.005 0.000 0.996 306 S HN 0.165 nan 8.310 nan 0.000 0.422 307 I N 2.015 122.554 120.570 -0.052 0.000 2.087 307 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 307 I C 2.356 178.390 176.117 -0.138 0.000 1.054 307 I CA 1.388 62.627 61.300 -0.103 0.000 1.311 307 I CB -1.736 36.184 38.000 -0.133 0.000 1.024 307 I HN 0.296 nan 8.210 nan 0.000 0.402 308 L N 0.468 121.617 121.223 -0.123 0.000 1.963 308 L HA -0.329 4.011 4.340 -0.000 0.000 0.220 308 L C 2.694 179.511 176.870 -0.087 0.000 1.076 308 L CA 2.629 57.401 54.840 -0.114 0.000 0.772 308 L CB -0.626 41.383 42.059 -0.083 0.000 0.892 308 L HN 0.304 nan 8.230 nan 0.000 0.435 309 T N 0.581 115.097 114.554 -0.064 0.000 2.685 309 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 309 T C 1.857 176.529 174.700 -0.047 0.000 1.034 309 T CA 1.974 64.044 62.100 -0.050 0.000 1.149 309 T CB -0.438 68.403 68.868 -0.044 0.000 0.860 309 T HN 0.267 nan 8.240 nan 0.000 0.449 310 L N 0.101 121.295 121.223 -0.048 0.000 1.989 310 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 310 L C 2.572 179.425 176.870 -0.029 0.000 1.071 310 L CA 1.269 56.090 54.840 -0.031 0.000 0.749 310 L CB -0.641 41.410 42.059 -0.014 0.000 0.890 310 L HN 0.246 nan 8.230 nan 0.000 0.431 311 L N -1.012 120.168 121.223 -0.073 0.000 1.989 311 L HA -0.277 4.063 4.340 -0.000 0.000 0.211 311 L C 2.572 179.427 176.870 -0.024 0.000 1.071 311 L CA 1.033 55.830 54.840 -0.071 0.000 0.749 311 L CB -0.538 41.432 42.059 -0.149 0.000 0.890 311 L HN 0.226 nan 8.230 nan 0.000 0.431 312 L N -0.619 120.587 121.223 -0.029 0.000 2.042 312 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 312 L C 2.387 179.272 176.870 0.026 0.000 1.076 312 L CA 1.719 56.553 54.840 -0.010 0.000 0.749 312 L CB -0.826 41.219 42.059 -0.023 0.000 0.893 312 L HN 0.182 nan 8.230 nan 0.000 0.432 313 L N -1.711 119.533 121.223 0.036 0.000 2.056 313 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 313 L C 2.704 179.669 176.870 0.158 0.000 1.078 313 L CA 1.426 56.334 54.840 0.112 0.000 0.749 313 L CB -0.425 41.668 42.059 0.057 0.000 0.901 313 L HN 0.324 nan 8.230 nan 0.000 0.433 314 S N -0.879 114.870 115.700 0.082 0.000 2.370 314 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 314 S C 1.907 176.523 174.600 0.026 0.000 1.033 314 S CA 2.143 60.377 58.200 0.056 0.000 1.011 314 S CB -0.176 63.053 63.200 0.048 0.000 0.852 314 S HN 0.475 nan 8.310 nan 0.000 0.457 315 T N 2.524 117.099 114.554 0.034 0.000 2.732 315 T HA -0.003 4.347 4.350 -0.000 0.000 0.261 315 T C 1.727 176.449 174.700 0.036 0.000 1.040 315 T CA 1.277 63.392 62.100 0.025 0.000 1.145 315 T CB -0.630 68.251 68.868 0.022 0.000 0.866 315 T HN 0.348 nan 8.240 nan 0.000 0.427 316 L N 1.513 122.780 121.223 0.073 0.000 2.187 316 L HA -0.000 4.340 4.340 -0.000 0.000 0.213 316 L C 2.472 179.452 176.870 0.183 0.000 1.100 316 L CA 1.547 56.468 54.840 0.135 0.000 0.765 316 L CB -0.885 41.270 42.059 0.160 0.000 0.904 316 L HN 0.239 nan 8.230 nan 0.000 0.437 317 A N -0.659 122.152 122.820 -0.014 0.000 1.858 317 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 317 A C 2.017 179.418 177.584 -0.307 0.000 1.190 317 A CA 1.824 53.525 52.037 -0.560 0.000 0.617 317 A CB -0.820 17.863 19.000 -0.529 0.000 0.827 317 A HN 0.544 nan 8.150 nan 0.000 0.443 318 D N -0.032 120.287 120.400 -0.136 0.000 2.123 318 D HA -0.123 4.517 4.640 -0.000 0.000 0.196 318 D C 2.096 178.388 176.300 -0.012 0.000 0.992 318 D CA 1.622 55.577 54.000 -0.076 0.000 0.833 318 D CB -0.499 40.279 40.800 -0.036 0.000 0.954 318 D HN 0.233 nan 8.370 nan 0.000 0.455 319 V N 0.885 120.836 119.914 0.063 0.000 2.332 319 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 319 V C 2.259 178.478 176.094 0.209 0.000 1.055 319 V CA 1.459 63.841 62.300 0.137 0.000 1.038 319 V CB -0.767 31.161 31.823 0.174 0.000 0.651 319 V HN 0.170 nan 8.190 nan 0.000 0.450 320 Y N 1.553 121.942 120.300 0.147 0.000 2.145 320 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 320 Y C 2.648 178.442 175.900 -0.178 0.000 1.145 320 Y CA 2.333 60.403 58.100 -0.050 0.000 1.148 320 Y CB -0.644 37.722 38.460 -0.157 0.000 0.981 320 Y HN 0.247 nan 8.280 nan 0.000 0.507 321 T N 0.572 115.060 114.554 -0.109 0.000 2.555 321 T HA -0.267 4.083 4.350 -0.000 0.000 0.264 321 T C 2.057 176.646 174.700 -0.185 0.000 1.083 321 T CA 2.886 64.887 62.100 -0.164 0.000 1.179 321 T CB -1.203 67.597 68.868 -0.114 0.000 0.863 321 T HN 0.407 nan 8.240 nan 0.000 0.412 322 V N 0.672 120.517 119.914 -0.114 0.000 2.392 322 V HA -0.112 4.008 4.120 -0.000 0.000 0.249 322 V C 2.334 178.357 176.094 -0.117 0.000 1.059 322 V CA 1.665 63.909 62.300 -0.093 0.000 1.051 322 V CB -1.228 30.566 31.823 -0.049 0.000 0.658 322 V HN 0.443 nan 8.190 nan 0.000 0.455 323 L N -0.602 120.536 121.223 -0.142 0.000 2.240 323 L HA 0.169 4.509 4.340 -0.000 0.000 0.211 323 L C 1.308 178.029 176.870 -0.249 0.000 1.106 323 L CA 0.493 55.242 54.840 -0.153 0.000 0.793 323 L CB -0.315 41.699 42.059 -0.076 0.000 0.927 323 L HN 0.377 nan 8.230 nan 0.000 0.446 324 R N -2.085 118.177 120.500 -0.397 0.000 3.336 324 R HA -0.137 4.203 4.340 -0.000 0.000 0.260 324 R C -2.308 173.744 176.300 -0.414 0.000 1.032 324 R CA -0.027 55.816 56.100 -0.429 0.000 0.693 324 R CB -2.573 27.583 30.300 -0.240 0.000 1.134 324 R HN 0.271 nan 8.270 nan 0.000 0.433 325 P HA 0.094 nan 4.420 nan 0.000 0.269 325 P C -0.290 176.913 177.300 -0.162 0.000 1.209 325 P CA 0.346 63.262 63.100 -0.307 0.000 0.776 325 P CB 0.635 32.091 31.700 -0.407 0.000 0.876 326 E N 2.179 122.405 120.200 0.043 0.000 2.255 326 E HA 0.507 4.857 4.350 -0.000 0.000 0.256 326 E C -0.985 175.754 176.600 0.232 0.000 0.887 326 E CA -0.456 55.955 56.400 0.018 0.000 0.782 326 E CB 0.865 30.559 29.700 -0.009 0.000 1.214 326 E HN 0.395 nan 8.360 nan 0.000 0.417 327 F N 0.294 120.291 119.950 0.078 0.000 2.773 327 F HA 0.761 5.288 4.527 0.000 0.000 0.314 327 F C -0.994 174.864 175.800 0.096 0.000 1.160 327 F CA -1.373 56.706 58.000 0.131 0.000 0.920 327 F CB 0.380 39.548 39.000 0.280 0.000 1.323 327 F HN 0.342 nan 8.300 nan 0.000 0.457 328 A N 1.839 124.819 122.820 0.266 0.000 2.272 328 A HA 0.803 5.123 4.320 -0.000 0.000 0.275 328 A C -0.656 177.001 177.584 0.122 0.000 1.096 328 A CA -0.489 51.616 52.037 0.114 0.000 0.822 328 A CB 0.900 19.959 19.000 0.098 0.000 1.088 328 A HN 1.071 nan 8.150 nan 0.000 0.495 329 M N 1.067 120.668 119.600 0.002 0.000 2.298 329 M HA 0.214 4.694 4.480 -0.000 0.000 0.255 329 M C -1.522 174.763 176.300 -0.025 0.000 1.021 329 M CA -0.491 54.784 55.300 -0.041 0.000 0.968 329 M CB 1.096 33.691 32.600 -0.009 0.000 2.037 329 M HN 0.889 nan 8.290 nan 0.000 0.478 330 H N 3.095 122.198 119.070 0.055 0.000 3.216 330 H HA 0.143 4.699 4.556 -0.000 0.000 0.283 330 H C 1.257 176.594 175.328 0.015 0.000 0.921 330 H CA 2.061 58.127 56.048 0.030 0.000 1.419 330 H CB 0.031 29.808 29.762 0.024 0.000 1.460 330 H HN 0.996 nan 8.280 nan 0.000 0.553 331 G N 2.395 111.277 108.800 0.137 0.000 2.157 331 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 331 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 331 G C -0.105 174.822 174.900 0.045 0.000 0.979 331 G CA 0.155 45.298 45.100 0.071 0.000 0.650 331 G HN 0.584 nan 8.290 nan 0.000 0.529 332 V N 1.016 120.954 119.914 0.039 0.000 2.495 332 V HA 0.576 4.696 4.120 -0.000 0.000 0.298 332 V C -0.116 175.971 176.094 -0.013 0.000 1.031 332 V CA -1.042 61.269 62.300 0.017 0.000 0.871 332 V CB 1.898 33.729 31.823 0.013 0.000 0.988 332 V HN 0.298 nan 8.190 nan 0.000 0.432 333 N N 4.470 123.135 118.700 -0.057 0.000 2.569 333 N HA 0.438 5.178 4.740 -0.000 0.000 0.254 333 N C -2.741 172.639 175.510 -0.217 0.000 1.004 333 N CA -1.113 51.879 53.050 -0.097 0.000 0.904 333 N CB 2.479 40.919 38.487 -0.077 0.000 1.165 333 N HN 0.441 nan 8.380 nan 0.000 0.513 334 P HA 0.138 nan 4.420 nan 0.000 0.267 334 P C -0.392 176.817 177.300 -0.153 0.000 1.205 334 P CA -0.094 62.907 63.100 -0.166 0.000 0.765 334 P CB 0.634 32.309 31.700 -0.041 0.000 0.828 335 M N 6.286 125.796 119.600 -0.149 0.000 2.027 335 M HA 0.209 4.689 4.480 -0.000 0.000 0.329 335 M C -1.699 174.650 176.300 0.082 0.000 0.971 335 M CA -2.796 52.487 55.300 -0.028 0.000 0.933 335 M CB 1.540 34.132 32.600 -0.013 0.000 1.392 335 M HN 0.208 nan 8.290 nan 0.000 0.394 336 P HA -0.021 nan 4.420 nan 0.000 0.225 336 P C 0.660 177.994 177.300 0.056 0.000 1.148 336 P CA 0.416 63.547 63.100 0.053 0.000 0.779 336 P CB -0.031 31.684 31.700 0.026 0.000 0.780 337 G N 2.239 111.073 108.800 0.056 0.000 2.248 337 G HA2 0.094 4.054 3.960 -0.000 0.000 0.260 337 G HA3 0.094 4.054 3.960 -0.000 0.000 0.260 337 G C -1.353 173.585 174.900 0.063 0.000 1.214 337 G CA -0.553 44.578 45.100 0.050 0.000 0.979 337 G HN 0.085 nan 8.290 nan 0.000 0.454 338 P HA -0.257 nan 4.420 nan 0.000 0.234 338 P C 0.360 177.698 177.300 0.064 0.000 1.089 338 P CA 1.486 64.615 63.100 0.047 0.000 0.958 338 P CB -0.201 31.521 31.700 0.035 0.000 0.698 339 L N -3.346 117.924 121.223 0.080 0.000 0.994 339 L HA -0.082 4.258 4.340 -0.000 0.000 0.407 339 L C 0.279 177.193 176.870 0.074 0.000 1.003 339 L CA 1.154 56.054 54.840 0.100 0.000 1.203 339 L CB -2.027 40.112 42.059 0.133 0.000 0.989 339 L HN 0.241 nan 8.230 nan 0.000 0.553 340 T N -0.593 113.996 114.554 0.058 0.000 2.901 340 T HA 0.853 5.203 4.350 -0.000 0.000 0.293 340 T C 1.017 175.724 174.700 0.011 0.000 1.084 340 T CA -0.302 61.819 62.100 0.035 0.000 1.008 340 T CB 1.936 70.818 68.868 0.023 0.000 1.170 340 T HN 1.154 nan 8.240 nan 0.000 0.509 341 A N 0.676 123.501 122.820 0.008 0.000 2.032 341 A HA 0.140 4.460 4.320 -0.000 0.000 0.221 341 A C 2.453 180.010 177.584 -0.044 0.000 1.165 341 A CA 2.231 54.260 52.037 -0.014 0.000 0.645 341 A CB -1.486 17.512 19.000 -0.003 0.000 0.807 341 A HN 1.295 nan 8.150 nan 0.000 0.453 342 A N 0.276 123.078 122.820 -0.029 0.000 1.841 342 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 342 A C 2.073 179.624 177.584 -0.056 0.000 1.195 342 A CA 1.490 53.507 52.037 -0.033 0.000 0.611 342 A CB -0.692 18.300 19.000 -0.013 0.000 0.835 342 A HN 0.503 nan 8.150 nan 0.000 0.443 343 I N -0.016 120.527 120.570 -0.046 0.000 2.248 343 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 343 I C 2.874 178.860 176.117 -0.220 0.000 1.107 343 I CA 1.141 62.410 61.300 -0.053 0.000 1.373 343 I CB -0.419 37.598 38.000 0.028 0.000 1.055 343 I HN 0.379 nan 8.210 nan 0.000 0.418 344 A N 0.935 123.559 122.820 -0.327 0.000 1.872 344 A HA -0.212 4.108 4.320 -0.000 0.000 0.214 344 A C 2.361 179.736 177.584 -0.350 0.000 1.187 344 A CA 1.632 53.263 52.037 -0.676 0.000 0.614 344 A CB -0.534 18.196 19.000 -0.449 0.000 0.826 344 A HN 0.283 nan 8.150 nan 0.000 0.442 345 R N 0.359 120.758 120.500 -0.169 0.000 2.119 345 R HA -0.168 4.172 4.340 -0.000 0.000 0.246 345 R C 2.095 178.380 176.300 -0.026 0.000 1.146 345 R CA 2.167 58.219 56.100 -0.079 0.000 0.962 345 R CB -0.830 29.430 30.300 -0.067 0.000 0.863 345 R HN 0.424 nan 8.270 nan 0.000 0.442 346 A N 0.125 122.902 122.820 -0.071 0.000 1.908 346 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 346 A C 2.399 179.949 177.584 -0.057 0.000 1.181 346 A CA 1.868 53.878 52.037 -0.044 0.000 0.627 346 A CB -1.157 17.821 19.000 -0.038 0.000 0.818 346 A HN 0.523 nan 8.150 nan 0.000 0.445 347 A N -1.592 121.112 122.820 -0.193 0.000 2.024 347 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 347 A C 1.130 178.548 177.584 -0.277 0.000 1.164 347 A CA 0.968 52.808 52.037 -0.328 0.000 0.643 347 A CB -0.723 17.784 19.000 -0.821 0.000 0.806 347 A HN 0.552 nan 8.150 nan 0.000 0.451 348 Y N 0.670 120.890 120.300 -0.133 0.000 2.971 348 Y HA 0.355 4.905 4.550 -0.000 0.000 0.384 348 Y C 0.841 176.769 175.900 0.046 0.000 1.166 348 Y CA -0.189 57.935 58.100 0.041 0.000 1.973 348 Y CB -1.252 37.228 38.460 0.035 0.000 2.082 348 Y HN 0.094 nan 8.280 nan 0.000 0.420 349 V N 0.000 119.981 119.914 0.112 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.349 62.300 0.081 0.000 1.235 349 V CB 0.000 31.871 31.823 0.080 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556