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 1pn3_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVLITGCGS RGDTEPLVAL AARLRELGAD ARMCLPPDYV ERCAEVGVPM DATA SEQUENCE VPVGRAVRAG AREPGELPPG AAEVVTEVVA EWFDKVPAAI EGCDAVVTTG DATA SEQUENCE LLPAAVAVRS MAEKLGIPYR YTVLSPDHLP SEQSQAERDM YNQGADRLFG DATA SEQUENCE DAVNSHRASI GLPPVEHLYD YGYTDQPWLA ADPVLSPLRP TDLGTVQTGA DATA SEQUENCE WILPDERPLS AELEAFLAAG STPVYVGFGS SSRPATADAA KMAIKAVRAS DATA SEQUENCE GRRIVLSRGW ADLVLPDDGA DCFVVGEVNL QELFGRVAAA IHHDSAGTTL DATA SEQUENCE LAMRAGIPQI VVRRVXXXXX XXAYHADRVA ELGVGVAVDG PVPTIDSLSA DATA SEQUENCE ALDTALAPEI RARATTVADT IRADGTTVAA QLLFDAVSLE K 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 0.000 176.331 176.300 0.052 0.000 1.140 1 M CA 0.000 55.354 55.300 0.091 0.000 0.988 1 M CB 0.000 32.672 32.600 0.120 0.000 1.302 2 R N 1.561 122.078 120.500 0.029 0.000 2.532 2 R HA 0.787 5.126 4.340 -0.001 0.000 0.297 2 R C -1.923 174.371 176.300 -0.010 0.000 0.984 2 R CA -0.649 55.455 56.100 0.007 0.000 0.884 2 R CB 2.230 32.536 30.300 0.010 0.000 1.182 2 R HN 0.751 nan 8.270 nan 0.000 0.442 3 V N 2.402 122.297 119.914 -0.033 0.000 2.555 3 V HA 0.574 4.693 4.120 -0.001 0.000 0.302 3 V C -0.788 175.284 176.094 -0.038 0.000 1.038 3 V CA -1.181 61.090 62.300 -0.048 0.000 0.887 3 V CB 1.578 33.345 31.823 -0.093 0.000 0.991 3 V HN 0.618 nan 8.190 nan 0.000 0.434 4 L N 5.474 126.682 121.223 -0.024 0.000 2.265 4 L HA 0.647 4.987 4.340 -0.001 0.000 0.289 4 L C -0.482 176.379 176.870 -0.014 0.000 1.033 4 L CA -0.114 54.722 54.840 -0.006 0.000 0.814 4 L CB 0.645 42.716 42.059 0.020 0.000 1.203 4 L HN 0.659 nan 8.230 nan 0.000 0.423 5 I N 5.056 125.615 120.570 -0.017 0.000 2.330 5 I HA 0.439 4.608 4.170 -0.001 0.000 0.289 5 I C 0.209 176.335 176.117 0.015 0.000 1.001 5 I CA -0.337 60.947 61.300 -0.026 0.000 1.193 5 I CB 1.585 39.551 38.000 -0.057 0.000 1.345 5 I HN 0.709 nan 8.210 nan 0.000 0.461 6 T N 1.955 116.527 114.554 0.030 0.000 2.926 6 T HA 0.962 5.312 4.350 -0.001 0.000 0.289 6 T C -0.258 174.456 174.700 0.023 0.000 1.054 6 T CA -0.943 61.211 62.100 0.091 0.000 1.015 6 T CB 2.376 71.353 68.868 0.181 0.000 1.167 6 T HN 0.937 nan 8.240 nan 0.000 0.526 7 G N -1.235 107.601 108.800 0.059 0.000 2.402 7 G HA2 0.451 4.410 3.960 -0.001 0.000 0.301 7 G HA3 0.451 4.410 3.960 -0.001 0.000 0.301 7 G C -1.450 173.470 174.900 0.034 0.000 1.615 7 G CA -0.255 44.823 45.100 -0.037 0.000 0.889 7 G HN 1.284 nan 8.290 nan 0.000 0.647 8 C N 1.551 120.840 119.300 -0.018 0.000 2.432 8 C HA 1.058 5.518 4.460 -0.001 0.000 0.334 8 C C 0.609 175.618 174.990 0.031 0.000 1.155 8 C CA 1.186 60.250 59.018 0.076 0.000 1.335 8 C CB 0.311 28.122 27.740 0.118 0.000 1.964 8 C HN 2.408 nan 8.230 nan 0.000 0.444 9 G N 3.881 112.720 108.800 0.064 0.000 2.317 9 G HA2 0.479 4.439 3.960 -0.001 0.000 0.293 9 G HA3 0.479 4.439 3.960 -0.001 0.000 0.293 9 G C -0.450 174.527 174.900 0.129 0.000 1.287 9 G CA 0.188 45.328 45.100 0.067 0.000 0.850 9 G HN 1.506 nan 8.290 nan 0.000 0.515 10 S N -0.521 115.251 115.700 0.119 0.000 2.632 10 S HA 0.283 4.752 4.470 -0.001 0.000 0.254 10 S C 1.591 176.312 174.600 0.201 0.000 1.291 10 S CA 0.566 58.873 58.200 0.179 0.000 0.974 10 S CB 0.882 64.148 63.200 0.111 0.000 1.016 10 S HN 0.848 nan 8.310 nan 0.000 0.579 11 R N 0.026 120.657 120.500 0.218 0.000 2.096 11 R HA -0.049 4.291 4.340 -0.001 0.000 0.235 11 R C 2.370 178.724 176.300 0.090 0.000 1.127 11 R CA 1.350 57.575 56.100 0.209 0.000 0.968 11 R CB -1.228 29.172 30.300 0.166 0.000 0.861 11 R HN 0.859 nan 8.270 nan 0.000 0.440 12 G N 0.114 108.946 108.800 0.054 0.000 2.422 12 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.218 12 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.218 12 G C 0.862 175.740 174.900 -0.036 0.000 1.140 12 G CA 0.743 45.846 45.100 0.004 0.000 0.775 12 G HN 0.328 nan 8.290 nan 0.000 0.545 13 D N -0.020 120.356 120.400 -0.040 0.000 2.213 13 D HA -0.019 4.621 4.640 -0.001 0.000 0.205 13 D C 2.428 178.668 176.300 -0.099 0.000 0.961 13 D CA 1.024 54.973 54.000 -0.084 0.000 0.853 13 D CB -0.012 40.742 40.800 -0.077 0.000 0.967 13 D HN 0.207 nan 8.370 nan 0.000 0.496 14 T N 0.988 115.472 114.554 -0.116 0.000 2.939 14 T HA -0.055 4.295 4.350 -0.001 0.000 0.254 14 T C 1.708 176.350 174.700 -0.097 0.000 1.041 14 T CA 0.463 62.437 62.100 -0.209 0.000 1.142 14 T CB 0.230 68.748 68.868 -0.582 0.000 0.874 14 T HN -0.034 nan 8.240 nan 0.000 0.452 15 E N 1.131 121.320 120.200 -0.019 0.000 2.114 15 E HA -0.113 4.237 4.350 -0.001 0.000 0.199 15 E C -0.559 176.072 176.600 0.051 0.000 1.008 15 E CA 1.523 57.939 56.400 0.027 0.000 0.810 15 E CB -1.393 28.332 29.700 0.041 0.000 0.739 15 E HN 0.384 nan 8.360 nan 0.000 0.456 16 P HA -0.099 nan 4.420 nan 0.000 0.217 16 P C 1.635 179.122 177.300 0.313 0.000 1.150 16 P CA 0.940 64.170 63.100 0.216 0.000 0.832 16 P CB -0.076 31.698 31.700 0.123 0.000 0.787 17 L N -1.312 120.013 121.223 0.170 0.000 2.046 17 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 17 L C 2.287 179.151 176.870 -0.010 0.000 1.077 17 L CA 1.316 56.207 54.840 0.085 0.000 0.747 17 L CB -1.150 40.909 42.059 0.001 0.000 0.896 17 L HN -0.136 nan 8.230 nan 0.000 0.432 18 V N 0.052 119.961 119.914 -0.009 0.000 2.515 18 V HA -0.228 3.891 4.120 -0.001 0.000 0.250 18 V C 2.691 178.768 176.094 -0.028 0.000 1.058 18 V CA 1.631 63.919 62.300 -0.020 0.000 1.064 18 V CB -0.802 31.022 31.823 0.002 0.000 0.675 18 V HN 0.461 nan 8.190 nan 0.000 0.461 19 A N -0.135 122.683 122.820 -0.004 0.000 1.929 19 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 19 A C 2.119 179.629 177.584 -0.123 0.000 1.176 19 A CA 1.759 53.785 52.037 -0.019 0.000 0.628 19 A CB -0.403 18.632 19.000 0.059 0.000 0.816 19 A HN 0.461 nan 8.150 nan 0.000 0.444 20 L N -0.407 120.678 121.223 -0.230 0.000 2.072 20 L HA 0.090 4.429 4.340 -0.001 0.000 0.205 20 L C 2.579 179.266 176.870 -0.306 0.000 1.079 20 L CA 2.003 56.555 54.840 -0.480 0.000 0.752 20 L CB -0.762 40.775 42.059 -0.870 0.000 0.906 20 L HN 0.296 nan 8.230 nan 0.000 0.436 21 A N -0.106 122.593 122.820 -0.202 0.000 1.877 21 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 21 A C 2.463 179.982 177.584 -0.108 0.000 1.186 21 A CA 1.939 53.893 52.037 -0.139 0.000 0.620 21 A CB -1.290 17.656 19.000 -0.090 0.000 0.822 21 A HN 0.576 nan 8.150 nan 0.000 0.443 22 A N -0.568 122.199 122.820 -0.088 0.000 1.933 22 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 22 A C 2.178 179.719 177.584 -0.071 0.000 1.175 22 A CA 2.140 54.139 52.037 -0.062 0.000 0.628 22 A CB -0.411 18.563 19.000 -0.044 0.000 0.814 22 A HN 0.447 nan 8.150 nan 0.000 0.444 23 R N 0.029 120.464 120.500 -0.107 0.000 2.075 23 R HA 0.057 4.396 4.340 -0.001 0.000 0.232 23 R C 1.832 178.073 176.300 -0.099 0.000 1.126 23 R CA 1.464 57.500 56.100 -0.108 0.000 0.963 23 R CB -0.891 29.312 30.300 -0.161 0.000 0.858 23 R HN 0.504 nan 8.270 nan 0.000 0.435 24 L N 0.031 121.174 121.223 -0.135 0.000 2.046 24 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 24 L C 2.590 179.432 176.870 -0.047 0.000 1.077 24 L CA 1.655 56.424 54.840 -0.118 0.000 0.747 24 L CB -0.382 41.578 42.059 -0.165 0.000 0.896 24 L HN 0.172 nan 8.230 nan 0.000 0.432 25 R N -0.061 120.411 120.500 -0.047 0.000 2.073 25 R HA -0.211 4.128 4.340 -0.001 0.000 0.234 25 R C 2.145 178.440 176.300 -0.008 0.000 1.134 25 R CA 1.532 57.619 56.100 -0.021 0.000 0.952 25 R CB -0.465 29.820 30.300 -0.025 0.000 0.850 25 R HN 0.376 nan 8.270 nan 0.000 0.433 26 E N 0.952 121.142 120.200 -0.017 0.000 2.333 26 E HA -0.162 4.188 4.350 -0.001 0.000 0.200 26 E C 1.168 177.772 176.600 0.007 0.000 1.010 26 E CA 0.787 57.181 56.400 -0.009 0.000 0.841 26 E CB 0.095 29.783 29.700 -0.019 0.000 0.757 26 E HN 0.300 nan 8.360 nan 0.000 0.508 27 L N -0.822 120.415 121.223 0.022 0.000 2.728 27 L HA 0.282 4.622 4.340 -0.001 0.000 0.238 27 L C 0.941 177.863 176.870 0.086 0.000 1.143 27 L CA 0.199 55.079 54.840 0.065 0.000 0.937 27 L CB 0.728 42.860 42.059 0.121 0.000 1.225 27 L HN 0.269 nan 8.230 nan 0.000 0.507 28 G N 0.938 109.769 108.800 0.053 0.000 2.212 28 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.255 28 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.255 28 G C 0.060 175.006 174.900 0.077 0.000 1.062 28 G CA 0.174 45.304 45.100 0.051 0.000 0.815 28 G HN 0.479 nan 8.290 nan 0.000 0.497 29 A N -0.480 122.381 122.820 0.068 0.000 2.350 29 A HA 0.697 5.017 4.320 -0.001 0.000 0.324 29 A C -0.318 177.275 177.584 0.014 0.000 1.118 29 A CA -0.248 51.827 52.037 0.064 0.000 0.783 29 A CB 1.385 20.410 19.000 0.043 0.000 1.236 29 A HN 0.329 nan 8.150 nan 0.000 0.457 30 D N 1.853 122.261 120.400 0.013 0.000 2.468 30 D HA 0.510 5.149 4.640 -0.001 0.000 0.218 30 D C -0.049 176.241 176.300 -0.017 0.000 1.155 30 D CA 0.343 54.342 54.000 -0.001 0.000 0.924 30 D CB 0.540 41.343 40.800 0.006 0.000 1.029 30 D HN 0.669 nan 8.370 nan 0.000 0.515 31 A N 4.564 127.365 122.820 -0.032 0.000 2.304 31 A HA 0.775 5.094 4.320 -0.001 0.000 0.323 31 A C -0.011 177.553 177.584 -0.034 0.000 1.195 31 A CA -0.837 51.173 52.037 -0.045 0.000 0.826 31 A CB 0.892 19.846 19.000 -0.078 0.000 1.184 31 A HN 0.608 nan 8.150 nan 0.000 0.496 32 R N 1.790 122.274 120.500 -0.026 0.000 2.867 32 R HA 0.865 5.204 4.340 -0.001 0.000 0.268 32 R C -1.198 175.094 176.300 -0.012 0.000 1.014 32 R CA -0.817 55.273 56.100 -0.017 0.000 0.946 32 R CB 1.412 31.707 30.300 -0.010 0.000 1.208 32 R HN 0.613 nan 8.270 nan 0.000 0.477 33 M N 0.394 119.991 119.600 -0.005 0.000 2.716 33 M HA 0.491 4.970 4.480 -0.001 0.000 0.307 33 M C -1.127 175.185 176.300 0.020 0.000 1.223 33 M CA -0.974 54.330 55.300 0.007 0.000 0.871 33 M CB 2.652 35.251 32.600 -0.003 0.000 1.739 33 M HN 0.557 nan 8.290 nan 0.000 0.475 34 C N 2.913 122.247 119.300 0.058 0.000 2.437 34 C HA 0.713 5.172 4.460 -0.001 0.000 0.307 34 C C -0.543 174.530 174.990 0.137 0.000 1.093 34 C CA -0.683 58.371 59.018 0.060 0.000 1.463 34 C CB -0.570 27.246 27.740 0.127 0.000 1.926 34 C HN 0.643 nan 8.230 nan 0.000 0.420 35 L N 3.751 125.016 121.223 0.071 0.000 2.333 35 L HA 0.577 4.916 4.340 -0.001 0.000 0.263 35 L C -2.434 174.524 176.870 0.147 0.000 1.014 35 L CA -2.142 52.764 54.840 0.110 0.000 0.820 35 L CB 1.859 43.931 42.059 0.023 0.000 1.352 35 L HN 0.180 nan 8.230 nan 0.000 0.421 36 P HA 0.005 nan 4.420 nan 0.000 0.267 36 P C -1.928 175.494 177.300 0.203 0.000 1.201 36 P CA -0.795 62.443 63.100 0.231 0.000 0.775 36 P CB 0.068 31.959 31.700 0.319 0.000 0.854 37 P HA -0.263 nan 4.420 nan 0.000 0.217 37 P C 0.602 177.899 177.300 -0.005 0.000 1.151 37 P CA 1.801 64.917 63.100 0.027 0.000 0.849 37 P CB -0.331 31.364 31.700 -0.008 0.000 0.787 38 D N -1.647 118.711 120.400 -0.071 0.000 2.403 38 D HA -0.180 4.460 4.640 -0.001 0.000 0.227 38 D C 0.916 176.976 176.300 -0.401 0.000 0.995 38 D CA 0.688 54.541 54.000 -0.244 0.000 0.928 38 D CB -1.397 39.205 40.800 -0.330 0.000 0.887 38 D HN 0.323 nan 8.370 nan 0.000 0.529 39 Y N -0.178 120.122 120.300 0.001 0.000 2.571 39 Y HA 0.221 4.770 4.550 -0.001 0.000 0.275 39 Y C 1.956 177.853 175.900 -0.006 0.000 1.179 39 Y CA -0.409 57.693 58.100 0.002 0.000 1.242 39 Y CB 0.460 38.928 38.460 0.015 0.000 1.126 39 Y HN -0.160 nan 8.280 nan 0.000 0.524 40 V N -0.009 119.936 119.914 0.052 0.000 2.237 40 V HA -0.276 3.844 4.120 -0.001 0.000 0.245 40 V C 2.205 178.309 176.094 0.016 0.000 1.046 40 V CA 2.076 64.394 62.300 0.029 0.000 1.007 40 V CB -0.190 31.631 31.823 -0.002 0.000 0.638 40 V HN 0.422 nan 8.190 nan 0.000 0.445 41 E N -0.501 119.693 120.200 -0.010 0.000 2.338 41 E HA -0.224 4.125 4.350 -0.001 0.000 0.197 41 E C 2.290 178.893 176.600 0.005 0.000 1.007 41 E CA 0.529 56.920 56.400 -0.014 0.000 0.849 41 E CB 0.110 29.786 29.700 -0.040 0.000 0.774 41 E HN 0.285 nan 8.360 nan 0.000 0.506 42 R N 0.070 120.589 120.500 0.031 0.000 2.062 42 R HA -0.020 4.320 4.340 -0.001 0.000 0.226 42 R C 2.096 178.430 176.300 0.056 0.000 1.125 42 R CA 1.371 57.506 56.100 0.059 0.000 0.966 42 R CB -0.917 29.459 30.300 0.127 0.000 0.861 42 R HN 0.153 nan 8.270 nan 0.000 0.433 43 C N 0.248 119.587 119.300 0.066 0.000 2.432 43 C HA 0.157 4.616 4.460 -0.001 0.000 0.280 43 C C 2.656 177.660 174.990 0.023 0.000 1.353 43 C CA 0.557 59.601 59.018 0.043 0.000 1.766 43 C CB -1.121 26.646 27.740 0.046 0.000 1.924 43 C HN 0.632 nan 8.230 nan 0.000 0.509 44 A N 0.966 123.797 122.820 0.018 0.000 1.873 44 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 44 A C 2.008 179.596 177.584 0.006 0.000 1.186 44 A CA 1.427 53.469 52.037 0.007 0.000 0.616 44 A CB -0.547 18.453 19.000 0.001 0.000 0.823 44 A HN 0.665 nan 8.150 nan 0.000 0.442 45 E N -0.443 119.763 120.200 0.009 0.000 2.204 45 E HA -0.093 4.257 4.350 -0.001 0.000 0.195 45 E C 1.594 178.199 176.600 0.009 0.000 0.990 45 E CA 1.214 57.619 56.400 0.008 0.000 0.821 45 E CB -0.098 29.608 29.700 0.011 0.000 0.750 45 E HN 0.428 nan 8.360 nan 0.000 0.477 46 V N -0.600 119.320 119.914 0.011 0.000 3.471 46 V HA 0.131 4.250 4.120 -0.001 0.000 0.258 46 V C 1.244 177.338 176.094 0.001 0.000 1.192 46 V CA 0.751 63.055 62.300 0.006 0.000 1.116 46 V CB 0.406 32.234 31.823 0.009 0.000 0.792 46 V HN 0.426 nan 8.190 nan 0.000 0.459 47 G N 1.076 109.877 108.800 0.002 0.000 2.204 47 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.244 47 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.244 47 G C -0.134 174.763 174.900 -0.005 0.000 1.062 47 G CA 0.116 45.215 45.100 -0.002 0.000 0.798 47 G HN 0.440 nan 8.290 nan 0.000 0.496 48 V N 1.646 121.558 119.914 -0.003 0.000 2.384 48 V HA 0.505 4.624 4.120 -0.001 0.000 0.287 48 V C -1.465 174.627 176.094 -0.003 0.000 1.020 48 V CA -1.796 60.500 62.300 -0.007 0.000 0.850 48 V CB 1.910 33.726 31.823 -0.012 0.000 0.987 48 V HN 0.276 nan 8.190 nan 0.000 0.436 49 P HA 0.068 nan 4.420 nan 0.000 0.260 49 P C -0.697 176.601 177.300 -0.004 0.000 1.207 49 P CA 0.211 63.308 63.100 -0.005 0.000 0.780 49 P CB 0.622 32.318 31.700 -0.007 0.000 0.789 50 M N 5.407 125.007 119.600 0.001 0.000 2.253 50 M HA 0.265 4.744 4.480 -0.001 0.000 0.314 50 M C -1.639 174.659 176.300 -0.003 0.000 1.019 50 M CA -1.079 54.224 55.300 0.005 0.000 0.932 50 M CB 2.335 34.950 32.600 0.024 0.000 1.606 50 M HN 0.105 nan 8.290 nan 0.000 0.430 51 V N 8.937 128.842 119.914 -0.015 0.000 2.347 51 V HA 0.643 4.763 4.120 -0.001 0.000 0.280 51 V C -2.259 173.798 176.094 -0.060 0.000 1.021 51 V CA -1.740 60.538 62.300 -0.037 0.000 0.847 51 V CB 1.714 33.508 31.823 -0.048 0.000 0.990 51 V HN 0.720 nan 8.190 nan 0.000 0.444 52 P HA 0.250 nan 4.420 nan 0.000 0.276 52 P C -1.005 176.190 177.300 -0.175 0.000 1.235 52 P CA 0.094 63.149 63.100 -0.075 0.000 0.772 52 P CB 1.492 33.167 31.700 -0.041 0.000 0.871 53 V N 2.677 122.436 119.914 -0.260 0.000 2.760 53 V HA 0.682 4.801 4.120 -0.001 0.000 0.309 53 V C 0.680 176.556 176.094 -0.364 0.000 1.077 53 V CA 0.305 62.308 62.300 -0.495 0.000 0.910 53 V CB 1.209 32.360 31.823 -1.121 0.000 1.008 53 V HN 1.075 nan 8.190 nan 0.000 0.424 54 G N 4.676 113.298 108.800 -0.297 0.000 2.698 54 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.233 54 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.233 54 G C -0.279 174.612 174.900 -0.015 0.000 1.352 54 G CA -0.128 44.912 45.100 -0.100 0.000 0.879 54 G HN 0.821 nan 8.290 nan 0.000 0.567 55 R N 0.074 120.600 120.500 0.043 0.000 2.615 55 R HA 0.582 4.922 4.340 -0.001 0.000 0.270 55 R C 0.805 177.140 176.300 0.059 0.000 1.081 55 R CA -0.021 56.104 56.100 0.041 0.000 1.154 55 R CB 0.444 30.773 30.300 0.049 0.000 1.063 55 R HN 1.152 nan 8.270 nan 0.000 0.519 56 A N 1.221 124.063 122.820 0.036 0.000 2.388 56 A HA 0.179 4.499 4.320 -0.001 0.000 0.257 56 A C 1.182 178.795 177.584 0.049 0.000 1.095 56 A CA -0.620 51.436 52.037 0.032 0.000 0.791 56 A CB 0.699 19.694 19.000 -0.010 0.000 1.029 56 A HN 0.584 nan 8.150 nan 0.000 0.489 57 V N 2.351 122.308 119.914 0.072 0.000 2.591 57 V HA -0.041 4.079 4.120 -0.001 0.000 0.249 57 V C 1.593 177.708 176.094 0.035 0.000 1.053 57 V CA 1.597 63.949 62.300 0.087 0.000 1.068 57 V CB -0.663 31.265 31.823 0.176 0.000 0.689 57 V HN 0.823 nan 8.190 nan 0.000 0.462 58 R N 0.487 120.978 120.500 -0.016 0.000 2.288 58 R HA 0.314 4.654 4.340 -0.001 0.000 0.330 58 R C 1.460 177.750 176.300 -0.017 0.000 1.069 58 R CA 0.465 56.547 56.100 -0.029 0.000 0.941 58 R CB 0.863 31.116 30.300 -0.078 0.000 0.998 58 R HN 0.330 nan 8.270 nan 0.000 0.452 59 A N 4.384 127.203 122.820 -0.001 0.000 1.915 59 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 59 A C 2.066 179.645 177.584 -0.009 0.000 1.198 59 A CA 2.086 54.124 52.037 0.001 0.000 0.647 59 A CB -1.263 17.742 19.000 0.007 0.000 0.825 59 A HN 0.953 nan 8.150 nan 0.000 0.456 60 G N -0.984 107.807 108.800 -0.016 0.000 2.485 60 G HA2 0.008 3.968 3.960 -0.001 0.000 0.221 60 G HA3 0.008 3.968 3.960 -0.001 0.000 0.221 60 G C 1.394 176.275 174.900 -0.031 0.000 1.115 60 G CA 1.318 46.404 45.100 -0.023 0.000 0.751 60 G HN 1.062 nan 8.290 nan 0.000 0.567 61 A N -0.441 122.356 122.820 -0.038 0.000 2.278 61 A HA 0.413 4.733 4.320 -0.001 0.000 0.212 61 A C 1.314 178.881 177.584 -0.028 0.000 1.213 61 A CA -0.195 51.816 52.037 -0.043 0.000 0.840 61 A CB 0.072 19.034 19.000 -0.064 0.000 0.866 61 A HN 0.320 nan 8.150 nan 0.000 0.489 62 R N -0.584 119.906 120.500 -0.017 0.000 2.720 62 R HA 0.546 4.885 4.340 -0.001 0.000 0.272 62 R C 0.276 176.572 176.300 -0.008 0.000 0.991 62 R CA 0.048 56.143 56.100 -0.009 0.000 1.010 62 R CB 0.726 31.026 30.300 0.001 0.000 1.141 62 R HN 0.338 nan 8.270 nan 0.000 0.494 63 E N 1.826 122.023 120.200 -0.005 0.000 2.404 63 E HA 0.092 4.441 4.350 -0.001 0.000 0.261 63 E C -1.984 174.615 176.600 -0.001 0.000 1.074 63 E CA -1.549 54.849 56.400 -0.004 0.000 0.917 63 E CB -0.495 29.203 29.700 -0.003 0.000 0.965 63 E HN 0.402 nan 8.360 nan 0.000 0.433 64 P HA -0.297 nan 4.420 nan 0.000 0.221 64 P C 1.279 178.581 177.300 0.004 0.000 0.967 64 P CA 2.824 65.925 63.100 0.001 0.000 1.038 64 P CB 0.033 31.733 31.700 0.001 0.000 0.731 65 G N -1.749 107.054 108.800 0.005 0.000 3.233 65 G HA2 0.023 3.982 3.960 -0.001 0.000 0.234 65 G HA3 0.023 3.982 3.960 -0.001 0.000 0.234 65 G C 0.012 174.918 174.900 0.011 0.000 1.137 65 G CA -0.170 44.935 45.100 0.008 0.000 0.763 65 G HN 0.309 nan 8.290 nan 0.000 0.549 66 E N 1.211 121.417 120.200 0.009 0.000 2.493 66 E HA 0.127 4.476 4.350 -0.001 0.000 0.255 66 E C 0.157 176.766 176.600 0.016 0.000 0.999 66 E CA -0.242 56.165 56.400 0.012 0.000 0.934 66 E CB 0.266 29.971 29.700 0.009 0.000 0.940 66 E HN 0.131 nan 8.360 nan 0.000 0.473 67 L N 6.840 128.076 121.223 0.021 0.000 2.453 67 L HA 0.336 4.675 4.340 -0.001 0.000 0.261 67 L C -1.712 175.176 176.870 0.029 0.000 1.179 67 L CA -1.941 52.914 54.840 0.024 0.000 0.813 67 L CB 0.406 42.481 42.059 0.026 0.000 1.110 67 L HN 0.536 nan 8.230 nan 0.000 0.466 68 P HA 0.191 nan 4.420 nan 0.000 0.276 68 P C -2.396 174.932 177.300 0.047 0.000 1.244 68 P CA -1.774 61.350 63.100 0.040 0.000 0.801 68 P CB 0.386 32.109 31.700 0.039 0.000 1.006 69 P HA -0.120 nan 4.420 nan 0.000 0.224 69 P C 1.368 178.694 177.300 0.043 0.000 1.142 69 P CA 1.771 64.915 63.100 0.074 0.000 0.778 69 P CB -0.398 31.369 31.700 0.113 0.000 0.764 70 G N -1.161 107.660 108.800 0.036 0.000 2.887 70 G HA2 0.233 4.192 3.960 -0.001 0.000 0.211 70 G HA3 0.233 4.192 3.960 -0.001 0.000 0.211 70 G C 0.490 175.402 174.900 0.019 0.000 1.152 70 G CA 0.211 45.322 45.100 0.019 0.000 0.769 70 G HN 0.384 nan 8.290 nan 0.000 0.541 71 A N 0.602 123.438 122.820 0.027 0.000 2.546 71 A HA 0.539 4.859 4.320 -0.001 0.000 0.243 71 A C 1.846 179.448 177.584 0.030 0.000 1.063 71 A CA 0.615 52.669 52.037 0.029 0.000 0.757 71 A CB 0.455 19.473 19.000 0.030 0.000 0.991 71 A HN 0.774 nan 8.150 nan 0.000 0.503 72 A N 2.487 125.327 122.820 0.035 0.000 1.908 72 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 72 A C 1.515 179.128 177.584 0.049 0.000 1.181 72 A CA 1.891 53.956 52.037 0.046 0.000 0.627 72 A CB -0.534 18.495 19.000 0.047 0.000 0.818 72 A HN 0.854 nan 8.150 nan 0.000 0.445 73 E N -0.534 119.691 120.200 0.041 0.000 2.501 73 E HA -0.023 4.327 4.350 -0.001 0.000 0.203 73 E C 1.102 177.728 176.600 0.043 0.000 1.072 73 E CA 0.994 57.419 56.400 0.041 0.000 0.885 73 E CB -0.292 29.428 29.700 0.033 0.000 0.813 73 E HN 0.742 nan 8.360 nan 0.000 0.556 74 V N -4.369 115.572 119.914 0.045 0.000 3.372 74 V HA 0.117 4.236 4.120 -0.001 0.000 0.304 74 V C 1.464 177.587 176.094 0.048 0.000 1.530 74 V CA 0.106 62.434 62.300 0.047 0.000 1.080 74 V CB -0.174 31.675 31.823 0.044 0.000 0.929 74 V HN 0.075 nan 8.190 nan 0.000 0.455 75 V N -0.355 119.586 119.914 0.046 0.000 2.250 75 V HA -0.263 3.857 4.120 -0.001 0.000 0.250 75 V C 2.477 178.607 176.094 0.059 0.000 1.060 75 V CA 3.079 65.394 62.300 0.025 0.000 1.030 75 V CB -2.255 29.618 31.823 0.082 0.000 0.643 75 V HN 0.545 nan 8.190 nan 0.000 0.445 76 T N -0.270 114.344 114.554 0.099 0.000 2.665 76 T HA -0.266 4.084 4.350 -0.001 0.000 0.268 76 T C 1.939 176.701 174.700 0.103 0.000 1.035 76 T CA 2.056 64.226 62.100 0.116 0.000 1.151 76 T CB -0.438 68.496 68.868 0.109 0.000 0.862 76 T HN 0.704 nan 8.240 nan 0.000 0.438 77 E N 0.577 120.828 120.200 0.085 0.000 2.110 77 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 77 E C 2.287 178.944 176.600 0.095 0.000 0.988 77 E CA 0.911 57.359 56.400 0.081 0.000 0.804 77 E CB -0.097 29.642 29.700 0.065 0.000 0.745 77 E HN 0.332 nan 8.360 nan 0.000 0.458 78 V N 0.730 120.705 119.914 0.102 0.000 2.261 78 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 78 V C 2.657 178.891 176.094 0.234 0.000 1.047 78 V CA 1.546 63.947 62.300 0.169 0.000 1.015 78 V CB -0.546 31.325 31.823 0.080 0.000 0.642 78 V HN 0.133 nan 8.190 nan 0.000 0.446 79 V N 0.435 120.421 119.914 0.119 0.000 2.287 79 V HA -0.287 3.833 4.120 -0.001 0.000 0.248 79 V C 2.722 178.858 176.094 0.069 0.000 1.053 79 V CA 2.085 64.468 62.300 0.139 0.000 1.027 79 V CB -1.341 30.569 31.823 0.145 0.000 0.646 79 V HN 0.556 nan 8.190 nan 0.000 0.447 80 A N 0.261 123.048 122.820 -0.055 0.000 1.851 80 A HA -0.320 4.000 4.320 -0.001 0.000 0.216 80 A C 2.209 179.807 177.584 0.024 0.000 1.195 80 A CA 2.340 54.285 52.037 -0.153 0.000 0.622 80 A CB -0.725 18.326 19.000 0.086 0.000 0.831 80 A HN 0.594 nan 8.150 nan 0.000 0.444 81 E N -0.825 119.416 120.200 0.068 0.000 2.068 81 E HA -0.266 4.083 4.350 -0.001 0.000 0.207 81 E C 1.664 178.240 176.600 -0.040 0.000 1.032 81 E CA 2.250 58.651 56.400 0.002 0.000 0.839 81 E CB -0.539 29.136 29.700 -0.042 0.000 0.758 81 E HN 0.713 nan 8.360 nan 0.000 0.457 82 W N -0.499 120.790 121.300 -0.019 0.000 2.354 82 W HA -0.060 4.599 4.660 -0.001 0.000 0.315 82 W C 2.335 178.821 176.519 -0.055 0.000 1.206 82 W CA 1.277 58.588 57.345 -0.056 0.000 1.290 82 W CB -0.962 28.430 29.460 -0.113 0.000 1.152 82 W HN 0.086 nan 8.180 nan 0.000 0.489 83 F N 0.235 120.258 119.950 0.123 0.000 2.192 83 F HA -0.275 4.252 4.527 -0.000 0.000 0.301 83 F C 2.349 178.189 175.800 0.066 0.000 1.079 83 F CA 2.032 60.072 58.000 0.067 0.000 1.303 83 F CB -0.417 38.562 39.000 -0.036 0.000 1.024 83 F HN -0.046 nan 8.300 nan 0.000 0.494 84 D N -0.013 120.515 120.400 0.214 0.000 2.137 84 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 84 D C 1.566 177.893 176.300 0.045 0.000 0.970 84 D CA 1.025 55.102 54.000 0.128 0.000 0.837 84 D CB 0.115 40.970 40.800 0.093 0.000 0.981 84 D HN 0.256 nan 8.370 nan 0.000 0.475 85 K N -0.137 120.244 120.400 -0.031 0.000 2.374 85 K HA 0.113 4.432 4.320 -0.001 0.000 0.196 85 K C 1.715 178.269 176.600 -0.077 0.000 1.023 85 K CA -0.187 56.047 56.287 -0.088 0.000 1.103 85 K CB 1.304 33.689 32.500 -0.193 0.000 0.848 85 K HN -0.027 nan 8.250 nan 0.000 0.528 86 V N 1.207 121.110 119.914 -0.017 0.000 2.535 86 V HA -0.060 4.059 4.120 -0.001 0.000 0.246 86 V C -1.205 174.905 176.094 0.027 0.000 1.045 86 V CA 1.026 63.338 62.300 0.020 0.000 1.058 86 V CB -0.643 31.226 31.823 0.077 0.000 0.689 86 V HN 0.105 nan 8.190 nan 0.000 0.461 87 P HA -0.239 nan 4.420 nan 0.000 0.216 87 P C 1.519 178.836 177.300 0.028 0.000 1.157 87 P CA 2.294 65.421 63.100 0.045 0.000 0.880 87 P CB -0.140 31.598 31.700 0.064 0.000 0.791 88 A N -1.474 121.356 122.820 0.017 0.000 2.216 88 A HA 0.116 4.435 4.320 -0.001 0.000 0.214 88 A C 2.019 179.604 177.584 0.003 0.000 1.160 88 A CA 1.624 53.665 52.037 0.008 0.000 0.725 88 A CB -1.096 17.903 19.000 -0.001 0.000 0.784 88 A HN 0.236 nan 8.150 nan 0.000 0.472 89 A N -0.792 122.031 122.820 0.004 0.000 1.984 89 A HA 0.317 4.636 4.320 -0.001 0.000 0.203 89 A C 1.734 179.327 177.584 0.015 0.000 1.292 89 A CA 0.651 52.690 52.037 0.004 0.000 0.782 89 A CB -0.250 18.750 19.000 -0.001 0.000 0.924 89 A HN 0.449 nan 8.150 nan 0.000 0.475 90 I N 0.761 121.345 120.570 0.023 0.000 3.444 90 I HA 0.089 4.259 4.170 -0.001 0.000 0.287 90 I C 1.056 177.187 176.117 0.023 0.000 1.302 90 I CA 0.574 61.890 61.300 0.027 0.000 1.368 90 I CB -0.552 37.468 38.000 0.034 0.000 1.048 90 I HN 0.411 nan 8.210 nan 0.000 0.487 91 E N 0.972 121.184 120.200 0.021 0.000 2.415 91 E HA 0.290 4.640 4.350 -0.001 0.000 0.263 91 E C 1.116 177.727 176.600 0.017 0.000 0.995 91 E CA 0.166 56.578 56.400 0.020 0.000 0.915 91 E CB -0.357 29.354 29.700 0.017 0.000 0.951 91 E HN 0.673 nan 8.360 nan 0.000 0.449 92 G N 0.912 109.724 108.800 0.019 0.000 2.323 92 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.292 92 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.292 92 G C 0.262 175.172 174.900 0.017 0.000 1.040 92 G CA 0.297 45.407 45.100 0.018 0.000 0.942 92 G HN 1.054 nan 8.290 nan 0.000 0.506 93 C N 0.062 119.373 119.300 0.018 0.000 2.382 93 C HA 0.486 4.945 4.460 -0.001 0.000 0.327 93 C C 1.413 176.414 174.990 0.018 0.000 1.250 93 C CA -0.592 58.435 59.018 0.015 0.000 1.707 93 C CB 1.463 29.211 27.740 0.014 0.000 2.272 93 C HN 0.582 nan 8.230 nan 0.000 0.506 94 D N 0.989 121.398 120.400 0.016 0.000 2.213 94 D HA 0.135 4.775 4.640 -0.001 0.000 0.205 94 D C 0.621 176.929 176.300 0.013 0.000 0.961 94 D CA 0.966 54.978 54.000 0.021 0.000 0.853 94 D CB 0.471 41.290 40.800 0.032 0.000 0.967 94 D HN 0.713 nan 8.370 nan 0.000 0.496 95 A N 0.049 122.867 122.820 -0.003 0.000 2.602 95 A HA 0.566 4.886 4.320 -0.001 0.000 0.290 95 A C -1.451 176.117 177.584 -0.026 0.000 1.114 95 A CA -0.545 51.482 52.037 -0.018 0.000 0.683 95 A CB 1.881 20.857 19.000 -0.041 0.000 1.281 95 A HN -0.096 nan 8.150 nan 0.000 0.416 96 V N 0.389 120.282 119.914 -0.035 0.000 2.638 96 V HA 0.584 4.704 4.120 -0.001 0.000 0.306 96 V C -0.844 175.160 176.094 -0.149 0.000 1.052 96 V CA -0.570 61.714 62.300 -0.027 0.000 0.885 96 V CB 1.631 33.509 31.823 0.091 0.000 0.999 96 V HN 0.741 nan 8.190 nan 0.000 0.424 97 V N 3.855 123.681 119.914 -0.147 0.000 2.409 97 V HA 0.653 4.772 4.120 -0.001 0.000 0.291 97 V C 0.092 176.090 176.094 -0.161 0.000 1.020 97 V CA -0.067 62.101 62.300 -0.219 0.000 0.848 97 V CB 2.023 33.781 31.823 -0.109 0.000 0.990 97 V HN 1.011 nan 8.190 nan 0.000 0.430 98 T N 2.795 117.191 114.554 -0.262 0.000 2.916 98 T HA 0.771 5.121 4.350 -0.001 0.000 0.292 98 T C -0.451 174.018 174.700 -0.385 0.000 1.064 98 T CA -0.552 61.448 62.100 -0.166 0.000 1.011 98 T CB 2.184 71.083 68.868 0.052 0.000 1.152 98 T HN 0.725 nan 8.240 nan 0.000 0.510 99 T N -0.577 113.791 114.554 -0.311 0.000 2.786 99 T HA 0.635 4.984 4.350 -0.001 0.000 0.316 99 T C -0.300 174.303 174.700 -0.161 0.000 1.503 99 T CA 0.879 62.671 62.100 -0.513 0.000 1.019 99 T CB 0.942 69.556 68.868 -0.423 0.000 1.415 99 T HN 1.489 nan 8.240 nan 0.000 0.496 100 G N 1.467 110.222 108.800 -0.076 0.000 2.587 100 G HA2 0.096 4.056 3.960 -0.001 0.000 0.212 100 G HA3 0.096 4.056 3.960 -0.001 0.000 0.212 100 G C -0.621 174.310 174.900 0.052 0.000 1.327 100 G CA -0.413 44.685 45.100 -0.003 0.000 0.898 100 G HN 1.528 nan 8.290 nan 0.000 0.551 101 L N 0.189 121.399 121.223 -0.021 0.000 2.862 101 L HA 0.047 4.387 4.340 -0.001 0.000 0.297 101 L C 1.918 178.719 176.870 -0.116 0.000 1.190 101 L CA 1.331 56.128 54.840 -0.072 0.000 0.902 101 L CB 0.260 42.241 42.059 -0.131 0.000 1.236 101 L HN 1.125 nan 8.230 nan 0.000 0.485 102 L N 8.798 129.987 121.223 -0.056 0.000 1.970 102 L HA -0.065 4.274 4.340 -0.001 0.000 0.212 102 L C -0.663 176.092 176.870 -0.191 0.000 1.071 102 L CA 2.152 56.985 54.840 -0.010 0.000 0.751 102 L CB -1.412 40.765 42.059 0.197 0.000 0.889 102 L HN 0.718 nan 8.230 nan 0.000 0.432 103 P HA -0.225 nan 4.420 nan 0.000 0.216 103 P C 1.317 178.357 177.300 -0.433 0.000 1.150 103 P CA 2.334 64.951 63.100 -0.805 0.000 0.843 103 P CB -0.216 30.721 31.700 -1.273 0.000 0.787 104 A N 0.097 122.566 122.820 -0.586 0.000 1.968 104 A HA 0.067 4.386 4.320 -0.001 0.000 0.217 104 A C 2.480 179.657 177.584 -0.679 0.000 1.169 104 A CA 1.716 53.154 52.037 -0.998 0.000 0.638 104 A CB -1.319 16.657 19.000 -1.708 0.000 0.812 104 A HN 0.240 nan 8.150 nan 0.000 0.446 105 A N -0.416 122.175 122.820 -0.381 0.000 1.873 105 A HA 0.017 4.337 4.320 -0.001 0.000 0.215 105 A C 2.194 179.685 177.584 -0.156 0.000 1.186 105 A CA 1.658 53.599 52.037 -0.161 0.000 0.616 105 A CB -0.989 17.986 19.000 -0.042 0.000 0.823 105 A HN 0.350 nan 8.150 nan 0.000 0.442 106 V N 0.082 119.955 119.914 -0.067 0.000 2.282 106 V HA -0.310 3.810 4.120 -0.001 0.000 0.249 106 V C 3.072 179.148 176.094 -0.030 0.000 1.057 106 V CA 2.123 64.474 62.300 0.085 0.000 1.032 106 V CB -1.301 30.712 31.823 0.317 0.000 0.645 106 V HN 0.634 nan 8.190 nan 0.000 0.447 107 A N -0.252 122.450 122.820 -0.197 0.000 1.865 107 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 107 A C 2.385 179.619 177.584 -0.582 0.000 1.191 107 A CA 2.265 53.913 52.037 -0.649 0.000 0.623 107 A CB -0.815 17.834 19.000 -0.585 0.000 0.826 107 A HN 0.344 nan 8.150 nan 0.000 0.444 108 V N 0.046 119.758 119.914 -0.336 0.000 2.332 108 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 108 V C 2.659 178.596 176.094 -0.262 0.000 1.055 108 V CA 2.353 64.537 62.300 -0.194 0.000 1.038 108 V CB -0.857 30.933 31.823 -0.054 0.000 0.651 108 V HN 0.656 nan 8.190 nan 0.000 0.450 109 R N -0.004 120.203 120.500 -0.489 0.000 2.075 109 R HA -0.139 4.200 4.340 -0.001 0.000 0.232 109 R C 2.536 178.653 176.300 -0.304 0.000 1.126 109 R CA 1.693 57.289 56.100 -0.841 0.000 0.963 109 R CB -0.296 29.162 30.300 -1.402 0.000 0.858 109 R HN 0.499 nan 8.270 nan 0.000 0.435 110 S N 0.565 116.223 115.700 -0.069 0.000 2.374 110 S HA -0.185 4.284 4.470 -0.001 0.000 0.227 110 S C 1.879 176.507 174.600 0.047 0.000 1.037 110 S CA 1.506 59.772 58.200 0.110 0.000 1.024 110 S CB -0.112 63.233 63.200 0.243 0.000 0.861 110 S HN 0.278 nan 8.310 nan 0.000 0.456 111 M N 1.440 121.007 119.600 -0.056 0.000 2.091 111 M HA -0.026 4.453 4.480 -0.001 0.000 0.259 111 M C 2.647 178.950 176.300 0.005 0.000 1.076 111 M CA 1.767 57.062 55.300 -0.009 0.000 1.111 111 M CB -1.950 30.624 32.600 -0.043 0.000 1.291 111 M HN 0.353 nan 8.290 nan 0.000 0.417 112 A N -0.133 122.673 122.820 -0.022 0.000 2.054 112 A HA -0.253 4.067 4.320 -0.001 0.000 0.223 112 A C 2.160 179.751 177.584 0.012 0.000 1.169 112 A CA 2.289 54.329 52.037 0.005 0.000 0.655 112 A CB -0.977 18.036 19.000 0.022 0.000 0.812 112 A HN 0.682 nan 8.150 nan 0.000 0.462 113 E N -0.497 119.708 120.200 0.007 0.000 2.028 113 E HA -0.158 4.191 4.350 -0.001 0.000 0.190 113 E C 2.528 179.159 176.600 0.051 0.000 0.984 113 E CA 1.462 57.887 56.400 0.041 0.000 0.800 113 E CB -0.232 29.517 29.700 0.082 0.000 0.758 113 E HN 0.580 nan 8.360 nan 0.000 0.448 114 K N 1.127 121.564 120.400 0.062 0.000 2.044 114 K HA -0.146 4.174 4.320 -0.001 0.000 0.210 114 K C 1.990 178.619 176.600 0.049 0.000 1.049 114 K CA 1.830 58.155 56.287 0.064 0.000 0.927 114 K CB -1.279 31.270 32.500 0.082 0.000 0.713 114 K HN 0.189 nan 8.250 nan 0.000 0.443 115 L N -0.793 120.457 121.223 0.044 0.000 2.552 115 L HA 0.144 4.484 4.340 -0.001 0.000 0.227 115 L C 1.962 178.853 176.870 0.034 0.000 1.146 115 L CA 0.643 55.505 54.840 0.037 0.000 0.858 115 L CB -0.490 41.590 42.059 0.035 0.000 0.969 115 L HN 0.687 nan 8.230 nan 0.000 0.451 116 G N 1.650 110.472 108.800 0.035 0.000 2.155 116 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.257 116 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.257 116 G C 0.405 175.325 174.900 0.032 0.000 0.983 116 G CA 0.645 45.765 45.100 0.034 0.000 0.676 116 G HN 0.532 nan 8.290 nan 0.000 0.528 117 I N -1.488 119.101 120.570 0.032 0.000 2.713 117 I HA 0.684 4.854 4.170 -0.001 0.000 0.300 117 I C -1.659 174.480 176.117 0.036 0.000 1.009 117 I CA -2.871 58.448 61.300 0.031 0.000 1.305 117 I CB 1.186 39.204 38.000 0.030 0.000 1.430 117 I HN -0.070 nan 8.210 nan 0.000 0.546 118 P HA 0.080 nan 4.420 nan 0.000 0.276 118 P C -1.651 175.666 177.300 0.029 0.000 1.230 118 P CA 0.337 63.447 63.100 0.018 0.000 0.776 118 P CB 0.562 32.258 31.700 -0.007 0.000 0.888 119 Y N 3.489 123.706 120.300 -0.139 0.000 2.409 119 Y HA 0.538 5.087 4.550 -0.000 0.000 0.343 119 Y C -0.707 175.035 175.900 -0.264 0.000 0.973 119 Y CA -0.999 56.995 58.100 -0.178 0.000 1.064 119 Y CB 1.729 40.095 38.460 -0.157 0.000 1.207 119 Y HN 0.202 nan 8.280 nan 0.000 0.452 120 R N 5.443 125.370 120.500 -0.955 0.000 2.513 120 R HA 0.243 4.583 4.340 -0.001 0.000 0.301 120 R C -1.967 173.694 176.300 -1.065 0.000 0.968 120 R CA -0.942 54.525 56.100 -1.056 0.000 0.872 120 R CB 1.724 31.216 30.300 -1.346 0.000 1.177 120 R HN 0.829 nan 8.270 nan 0.000 0.444 121 Y N 0.956 120.706 120.300 -0.918 0.000 2.387 121 Y HA 0.453 5.003 4.550 -0.001 0.000 0.330 121 Y C -0.398 175.284 175.900 -0.364 0.000 1.133 121 Y CA 0.013 57.745 58.100 -0.613 0.000 1.152 121 Y CB 1.816 40.013 38.460 -0.438 0.000 1.215 121 Y HN 0.487 nan 8.280 nan 0.000 0.466 122 T N 5.049 119.046 114.554 -0.930 0.000 2.912 122 T HA 0.562 4.911 4.350 -0.001 0.000 0.299 122 T C -1.048 173.276 174.700 -0.628 0.000 1.052 122 T CA -0.748 61.047 62.100 -0.508 0.000 0.996 122 T CB 1.099 69.801 68.868 -0.277 0.000 1.070 122 T HN 0.607 nan 8.240 nan 0.000 0.465 123 V N 1.049 120.776 119.914 -0.312 0.000 2.769 123 V HA 0.640 4.760 4.120 -0.001 0.000 0.312 123 V C 0.267 176.212 176.094 -0.248 0.000 1.058 123 V CA -1.004 61.167 62.300 -0.214 0.000 0.952 123 V CB 1.389 33.228 31.823 0.026 0.000 1.019 123 V HN 0.882 nan 8.190 nan 0.000 0.445 124 L N 2.222 123.296 121.223 -0.248 0.000 2.607 124 L HA 0.384 4.723 4.340 -0.001 0.000 0.228 124 L C 0.683 177.436 176.870 -0.195 0.000 1.123 124 L CA 0.566 55.251 54.840 -0.259 0.000 0.890 124 L CB 0.102 42.010 42.059 -0.251 0.000 1.103 124 L HN 0.985 nan 8.230 nan 0.000 0.468 125 S N -3.496 112.113 115.700 -0.152 0.000 2.537 125 S HA 0.431 4.901 4.470 -0.001 0.000 0.271 125 S C -2.541 172.039 174.600 -0.034 0.000 1.148 125 S CA -1.040 57.087 58.200 -0.121 0.000 0.868 125 S CB 1.968 65.067 63.200 -0.168 0.000 1.115 125 S HN -0.297 nan 8.310 nan 0.000 0.461 126 P HA -0.076 nan 4.420 nan 0.000 0.216 126 P C 0.481 177.819 177.300 0.063 0.000 1.150 126 P CA 1.451 64.559 63.100 0.014 0.000 0.837 126 P CB -0.153 31.553 31.700 0.010 0.000 0.786 127 D N -1.658 118.769 120.400 0.045 0.000 2.170 127 D HA -0.203 4.437 4.640 -0.001 0.000 0.193 127 D C 1.220 177.592 176.300 0.121 0.000 1.004 127 D CA 1.458 55.514 54.000 0.092 0.000 0.860 127 D CB -0.887 40.000 40.800 0.146 0.000 0.931 127 D HN 0.401 nan 8.370 nan 0.000 0.448 128 H N -0.857 118.264 119.070 0.084 0.000 2.526 128 H HA 0.300 4.856 4.556 -0.001 0.000 0.274 128 H C 0.152 175.651 175.328 0.286 0.000 0.999 128 H CA -0.240 55.927 56.048 0.199 0.000 1.157 128 H CB -0.220 29.667 29.762 0.207 0.000 1.407 128 H HN 0.101 nan 8.280 nan 0.000 0.568 129 L N 1.540 122.930 121.223 0.278 0.000 2.416 129 L HA 0.097 4.436 4.340 -0.001 0.000 0.272 129 L C -1.123 175.880 176.870 0.222 0.000 1.161 129 L CA -1.509 53.480 54.840 0.247 0.000 0.845 129 L CB 1.182 43.331 42.059 0.150 0.000 1.119 129 L HN 0.034 nan 8.230 nan 0.000 0.464 130 P HA -0.127 nan 4.420 nan 0.000 0.225 130 P C 1.181 178.532 177.300 0.085 0.000 1.148 130 P CA 0.816 64.009 63.100 0.155 0.000 0.779 130 P CB 0.221 31.931 31.700 0.017 0.000 0.780 131 S N -1.633 114.113 115.700 0.077 0.000 2.603 131 S HA 0.048 4.518 4.470 -0.001 0.000 0.220 131 S C 1.298 175.921 174.600 0.039 0.000 0.967 131 S CA 0.413 58.641 58.200 0.046 0.000 0.920 131 S CB -0.629 62.599 63.200 0.046 0.000 0.773 131 S HN 0.211 nan 8.310 nan 0.000 0.529 132 E N 0.381 120.611 120.200 0.050 0.000 2.583 132 E HA 0.170 4.520 4.350 -0.001 0.000 0.213 132 E C -0.390 176.215 176.600 0.008 0.000 0.989 132 E CA -0.148 56.272 56.400 0.033 0.000 0.991 132 E CB 0.397 30.125 29.700 0.047 0.000 1.040 132 E HN 0.453 nan 8.360 nan 0.000 0.481 133 Q N 0.829 120.627 119.800 -0.004 0.000 2.235 133 Q HA 0.254 4.593 4.340 -0.001 0.000 0.256 133 Q C 0.208 176.158 176.000 -0.083 0.000 0.951 133 Q CA -0.403 55.359 55.803 -0.068 0.000 0.890 133 Q CB 1.740 30.408 28.738 -0.116 0.000 1.279 133 Q HN 0.074 nan 8.270 nan 0.000 0.444 134 S N 0.448 116.081 115.700 -0.112 0.000 2.608 134 S HA -0.007 4.462 4.470 -0.001 0.000 0.261 134 S C 1.008 175.537 174.600 -0.118 0.000 1.314 134 S CA -0.248 57.896 58.200 -0.094 0.000 0.992 134 S CB 0.819 63.965 63.200 -0.089 0.000 0.935 134 S HN 0.587 nan 8.310 nan 0.000 0.564 135 Q N 1.048 120.795 119.800 -0.088 0.000 2.167 135 Q HA 0.032 4.372 4.340 -0.001 0.000 0.202 135 Q C 2.120 178.050 176.000 -0.116 0.000 0.970 135 Q CA 1.959 57.709 55.803 -0.089 0.000 0.855 135 Q CB -1.032 27.669 28.738 -0.063 0.000 0.911 135 Q HN 0.899 nan 8.270 nan 0.000 0.438 136 A N 0.432 123.184 122.820 -0.114 0.000 1.877 136 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 136 A C 1.947 179.417 177.584 -0.191 0.000 1.186 136 A CA 1.700 53.667 52.037 -0.118 0.000 0.620 136 A CB -0.641 18.305 19.000 -0.090 0.000 0.822 136 A HN 0.553 nan 8.150 nan 0.000 0.443 137 E N -0.476 119.561 120.200 -0.272 0.000 2.085 137 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 137 E C 2.302 178.397 176.600 -0.842 0.000 0.994 137 E CA 1.392 57.477 56.400 -0.524 0.000 0.801 137 E CB -0.190 29.195 29.700 -0.525 0.000 0.743 137 E HN 0.563 nan 8.360 nan 0.000 0.453 138 R N 0.706 120.882 120.500 -0.540 0.000 2.115 138 R HA -0.112 4.228 4.340 -0.001 0.000 0.230 138 R C 1.762 177.961 176.300 -0.167 0.000 1.111 138 R CA 1.236 57.129 56.100 -0.344 0.000 0.976 138 R CB -0.081 30.178 30.300 -0.069 0.000 0.870 138 R HN 0.156 nan 8.270 nan 0.000 0.445 139 D N 0.684 120.992 120.400 -0.154 0.000 2.097 139 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 139 D C 1.936 178.211 176.300 -0.041 0.000 0.984 139 D CA 1.298 55.255 54.000 -0.072 0.000 0.826 139 D CB -0.097 40.663 40.800 -0.066 0.000 0.973 139 D HN 0.183 nan 8.370 nan 0.000 0.460 140 M N -0.482 119.069 119.600 -0.081 0.000 2.117 140 M HA -0.164 4.316 4.480 -0.001 0.000 0.262 140 M C 2.167 178.528 176.300 0.103 0.000 1.065 140 M CA 1.309 56.609 55.300 0.000 0.000 1.114 140 M CB -0.441 32.159 32.600 -0.001 0.000 1.361 140 M HN 0.138 nan 8.290 nan 0.000 0.408 141 Y N 0.425 120.614 120.300 -0.186 0.000 2.097 141 Y HA -0.278 4.272 4.550 -0.001 0.000 0.282 141 Y C 2.550 178.363 175.900 -0.145 0.000 1.152 141 Y CA 0.553 58.475 58.100 -0.297 0.000 1.136 141 Y CB -0.515 37.473 38.460 -0.788 0.000 0.975 141 Y HN 0.351 nan 8.280 nan 0.000 0.498 142 N N 0.383 119.170 118.700 0.146 0.000 2.120 142 N HA -0.218 4.522 4.740 -0.001 0.000 0.188 142 N C 1.837 177.391 175.510 0.073 0.000 1.024 142 N CA 1.129 54.276 53.050 0.160 0.000 0.852 142 N CB -0.430 38.194 38.487 0.227 0.000 1.003 142 N HN 0.503 nan 8.380 nan 0.000 0.424 143 Q N 0.459 120.296 119.800 0.062 0.000 2.030 143 Q HA -0.117 4.222 4.340 -0.001 0.000 0.204 143 Q C 2.023 178.017 176.000 -0.011 0.000 0.986 143 Q CA 1.901 57.719 55.803 0.025 0.000 0.843 143 Q CB -0.311 28.442 28.738 0.024 0.000 0.904 143 Q HN 0.348 nan 8.270 nan 0.000 0.420 144 G N 0.096 108.897 108.800 0.002 0.000 2.421 144 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 144 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 144 G C 1.451 176.312 174.900 -0.064 0.000 1.171 144 G CA 0.932 46.025 45.100 -0.011 0.000 0.775 144 G HN 0.505 nan 8.290 nan 0.000 0.543 145 A N 1.202 123.957 122.820 -0.109 0.000 1.883 145 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 145 A C 2.096 179.249 177.584 -0.718 0.000 1.186 145 A CA 2.275 54.080 52.037 -0.387 0.000 0.624 145 A CB -0.578 18.282 19.000 -0.233 0.000 0.822 145 A HN 0.308 nan 8.150 nan 0.000 0.444 146 D N -1.015 119.159 120.400 -0.377 0.000 2.084 146 D HA -0.115 4.524 4.640 -0.001 0.000 0.194 146 D C 2.168 178.336 176.300 -0.221 0.000 0.990 146 D CA 1.353 55.172 54.000 -0.302 0.000 0.826 146 D CB -0.233 40.468 40.800 -0.165 0.000 0.971 146 D HN 0.381 nan 8.370 nan 0.000 0.453 147 R N -0.484 119.933 120.500 -0.139 0.000 2.120 147 R HA -0.082 4.258 4.340 -0.001 0.000 0.234 147 R C 1.909 178.180 176.300 -0.050 0.000 1.123 147 R CA 0.571 56.627 56.100 -0.072 0.000 0.975 147 R CB -0.163 30.115 30.300 -0.037 0.000 0.866 147 R HN 0.136 nan 8.270 nan 0.000 0.446 148 L N -0.344 120.840 121.223 -0.065 0.000 2.013 148 L HA -0.007 4.332 4.340 -0.001 0.000 0.204 148 L C 1.153 178.116 176.870 0.155 0.000 1.081 148 L CA 1.748 56.633 54.840 0.075 0.000 0.751 148 L CB -0.330 41.864 42.059 0.226 0.000 0.901 148 L HN 0.210 nan 8.230 nan 0.000 0.440 149 F N -2.037 117.933 119.950 0.033 0.000 2.683 149 F HA 0.570 5.097 4.527 -0.001 0.000 0.306 149 F C 1.644 177.471 175.800 0.044 0.000 1.102 149 F CA -0.378 57.649 58.000 0.045 0.000 1.244 149 F CB -1.552 37.481 39.000 0.055 0.000 1.029 149 F HN 0.004 nan 8.300 nan 0.000 0.545 150 G N 1.582 110.246 108.800 -0.226 0.000 2.586 150 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.218 150 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.218 150 G C 1.021 175.896 174.900 -0.041 0.000 1.216 150 G CA 1.881 46.877 45.100 -0.173 0.000 0.786 150 G HN 0.361 nan 8.290 nan 0.000 0.583 151 D N 1.001 121.390 120.400 -0.018 0.000 2.087 151 D HA -0.026 4.613 4.640 -0.001 0.000 0.192 151 D C 2.796 179.119 176.300 0.038 0.000 0.993 151 D CA 1.698 55.697 54.000 -0.001 0.000 0.828 151 D CB -0.592 40.208 40.800 -0.000 0.000 0.968 151 D HN 0.341 nan 8.370 nan 0.000 0.448 152 A N 0.347 123.224 122.820 0.096 0.000 1.997 152 A HA -0.215 4.105 4.320 -0.001 0.000 0.221 152 A C 2.363 180.058 177.584 0.186 0.000 1.172 152 A CA 1.504 53.638 52.037 0.161 0.000 0.645 152 A CB -0.850 18.275 19.000 0.209 0.000 0.813 152 A HN 0.180 nan 8.150 nan 0.000 0.454 153 V N 0.526 120.542 119.914 0.168 0.000 2.283 153 V HA -0.208 3.912 4.120 -0.001 0.000 0.243 153 V C 2.271 178.383 176.094 0.031 0.000 1.039 153 V CA 1.930 64.335 62.300 0.175 0.000 1.016 153 V CB -0.863 31.107 31.823 0.244 0.000 0.650 153 V HN 0.564 nan 8.190 nan 0.000 0.449 154 N N 0.178 118.874 118.700 -0.006 0.000 2.149 154 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 154 N C 2.128 177.587 175.510 -0.085 0.000 1.019 154 N CA 1.834 54.852 53.050 -0.053 0.000 0.857 154 N CB -0.483 37.967 38.487 -0.062 0.000 0.997 154 N HN 0.485 nan 8.380 nan 0.000 0.426 155 S N 0.791 116.438 115.700 -0.089 0.000 2.363 155 S HA -0.186 4.283 4.470 -0.001 0.000 0.218 155 S C 1.656 176.097 174.600 -0.265 0.000 1.035 155 S CA 1.331 59.437 58.200 -0.157 0.000 1.043 155 S CB -0.525 62.581 63.200 -0.157 0.000 0.986 155 S HN 0.414 nan 8.310 nan 0.000 0.423 156 H N 0.569 119.405 119.070 -0.390 0.000 2.492 156 H HA 0.056 4.612 4.556 -0.000 0.000 0.296 156 H C 2.432 177.375 175.328 -0.641 0.000 1.095 156 H CA 1.584 57.226 56.048 -0.677 0.000 1.281 156 H CB -0.043 28.893 29.762 -1.377 0.000 1.374 156 H HN 0.316 nan 8.280 nan 0.000 0.545 157 R N -0.259 120.052 120.500 -0.314 0.000 2.057 157 R HA 0.004 4.343 4.340 -0.001 0.000 0.229 157 R C 2.547 178.811 176.300 -0.060 0.000 1.136 157 R CA 0.941 56.988 56.100 -0.087 0.000 0.952 157 R CB -0.186 30.105 30.300 -0.014 0.000 0.848 157 R HN 0.315 nan 8.270 nan 0.000 0.430 158 A N 0.883 123.650 122.820 -0.087 0.000 1.908 158 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 158 A C 2.257 179.801 177.584 -0.067 0.000 1.181 158 A CA 2.107 54.104 52.037 -0.067 0.000 0.627 158 A CB -1.033 17.921 19.000 -0.077 0.000 0.818 158 A HN 0.525 nan 8.150 nan 0.000 0.445 159 S N -0.440 115.194 115.700 -0.109 0.000 2.641 159 S HA 0.266 4.736 4.470 -0.001 0.000 0.239 159 S C 1.148 175.727 174.600 -0.034 0.000 0.972 159 S CA 1.076 59.220 58.200 -0.095 0.000 0.954 159 S CB -0.881 62.218 63.200 -0.168 0.000 0.767 159 S HN 1.128 nan 8.310 nan 0.000 0.539 160 I N -6.118 114.449 120.570 -0.005 0.000 3.820 160 I HA 0.520 4.690 4.170 -0.001 0.000 0.323 160 I C 0.698 176.839 176.117 0.039 0.000 1.482 160 I CA -0.100 61.225 61.300 0.043 0.000 1.048 160 I CB 0.057 38.122 38.000 0.109 0.000 1.436 160 I HN 0.096 nan 8.210 nan 0.000 0.575 161 G N 2.318 111.127 108.800 0.015 0.000 2.198 161 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.257 161 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.257 161 G C -0.367 174.545 174.900 0.020 0.000 1.042 161 G CA 0.319 45.428 45.100 0.014 0.000 0.791 161 G HN 0.447 nan 8.290 nan 0.000 0.502 162 L N 0.988 122.222 121.223 0.018 0.000 2.346 162 L HA 0.530 4.870 4.340 -0.001 0.000 0.276 162 L C -1.618 175.248 176.870 -0.007 0.000 1.006 162 L CA -2.387 52.466 54.840 0.022 0.000 0.817 162 L CB 2.362 44.457 42.059 0.060 0.000 1.272 162 L HN -0.019 nan 8.230 nan 0.000 0.421 163 P HA 0.216 nan 4.420 nan 0.000 0.274 163 P C -2.697 174.565 177.300 -0.063 0.000 1.246 163 P CA -1.279 61.799 63.100 -0.036 0.000 0.795 163 P CB -0.036 31.646 31.700 -0.031 0.000 1.006 164 P HA 0.110 nan 4.420 nan 0.000 0.274 164 P C -0.675 176.536 177.300 -0.148 0.000 1.246 164 P CA -0.070 62.968 63.100 -0.103 0.000 0.795 164 P CB 0.632 32.278 31.700 -0.090 0.000 1.006 165 V N -3.009 116.785 119.914 -0.200 0.000 2.888 165 V HA 0.681 4.800 4.120 -0.001 0.000 0.309 165 V C -0.358 175.593 176.094 -0.238 0.000 1.114 165 V CA -0.943 61.194 62.300 -0.271 0.000 0.940 165 V CB 1.575 33.070 31.823 -0.546 0.000 1.021 165 V HN 0.710 nan 8.190 nan 0.000 0.426 166 E N 1.066 121.121 120.200 -0.242 0.000 2.334 166 E HA 0.593 4.943 4.350 -0.001 0.000 0.256 166 E C -0.215 176.268 176.600 -0.195 0.000 0.958 166 E CA -0.117 56.103 56.400 -0.301 0.000 0.821 166 E CB 0.718 30.126 29.700 -0.486 0.000 1.269 166 E HN 1.520 nan 8.360 nan 0.000 0.413 167 H N -1.015 118.035 119.070 -0.033 0.000 2.680 167 H HA -0.136 4.420 4.556 -0.001 0.000 0.328 167 H C 0.844 176.209 175.328 0.063 0.000 1.139 167 H CA 0.433 56.493 56.048 0.020 0.000 1.124 167 H CB -1.903 27.877 29.762 0.031 0.000 1.584 167 H HN 0.432 nan 8.280 nan 0.000 0.410 168 L N -0.436 120.861 121.223 0.124 0.000 2.275 168 L HA -0.195 4.145 4.340 -0.001 0.000 0.215 168 L C 2.456 179.489 176.870 0.271 0.000 1.119 168 L CA 1.625 56.565 54.840 0.166 0.000 0.790 168 L CB -0.346 41.712 42.059 -0.002 0.000 0.919 168 L HN 0.590 nan 8.230 nan 0.000 0.443 169 Y N 0.898 121.255 120.300 0.095 0.000 2.133 169 Y HA -0.281 4.269 4.550 -0.001 0.000 0.287 169 Y C 2.389 178.309 175.900 0.034 0.000 1.134 169 Y CA 1.533 59.651 58.100 0.029 0.000 1.133 169 Y CB 0.092 38.546 38.460 -0.009 0.000 0.987 169 Y HN 0.185 nan 8.280 nan 0.000 0.502 170 D N -0.382 119.976 120.400 -0.071 0.000 2.117 170 D HA -0.232 4.408 4.640 -0.001 0.000 0.197 170 D C 1.789 178.087 176.300 -0.002 0.000 0.987 170 D CA 1.566 55.476 54.000 -0.150 0.000 0.829 170 D CB -0.627 40.162 40.800 -0.018 0.000 0.961 170 D HN 0.431 nan 8.370 nan 0.000 0.460 171 Y N 1.581 121.875 120.300 -0.009 0.000 2.089 171 Y HA -0.125 4.425 4.550 -0.000 0.000 0.282 171 Y C 2.476 178.369 175.900 -0.012 0.000 1.139 171 Y CA 2.101 60.200 58.100 -0.001 0.000 1.123 171 Y CB -0.733 37.734 38.460 0.011 0.000 0.980 171 Y HN -0.043 nan 8.280 nan 0.000 0.493 172 G N -2.019 106.799 108.800 0.030 0.000 2.470 172 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 172 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 172 G C 1.186 175.918 174.900 -0.279 0.000 1.121 172 G CA 0.968 46.008 45.100 -0.100 0.000 0.766 172 G HN 0.480 nan 8.290 nan 0.000 0.553 173 Y N 0.900 120.923 120.300 -0.461 0.000 2.503 173 Y HA 0.188 4.737 4.550 -0.001 0.000 0.277 173 Y C 1.654 177.450 175.900 -0.174 0.000 1.102 173 Y CA 0.605 58.399 58.100 -0.510 0.000 1.261 173 Y CB 0.128 38.292 38.460 -0.494 0.000 1.096 173 Y HN 0.368 nan 8.280 nan 0.000 0.546 174 T N -3.302 111.246 114.554 -0.010 0.000 0.541 174 T HA -0.217 4.133 4.350 -0.001 0.000 0.774 174 T C 0.335 175.031 174.700 -0.007 0.000 0.992 174 T CA -0.017 62.078 62.100 -0.007 0.000 4.077 174 T CB -0.972 67.902 68.868 0.010 0.000 2.303 174 T HN 0.180 nan 8.240 nan 0.000 0.398 175 D N 1.251 121.650 120.400 -0.001 0.000 2.123 175 D HA -0.023 4.616 4.640 -0.001 0.000 0.196 175 D C 1.087 177.400 176.300 0.021 0.000 0.992 175 D CA 1.838 55.841 54.000 0.005 0.000 0.833 175 D CB -0.013 40.796 40.800 0.014 0.000 0.954 175 D HN 0.624 nan 8.370 nan 0.000 0.455 176 Q N 0.407 120.225 119.800 0.031 0.000 2.786 176 Q HA 0.272 4.611 4.340 -0.001 0.000 0.240 176 Q C -2.512 173.527 176.000 0.064 0.000 0.928 176 Q CA -1.441 54.399 55.803 0.062 0.000 0.721 176 Q CB 2.662 31.444 28.738 0.074 0.000 1.318 176 Q HN 0.194 nan 8.270 nan 0.000 0.474 177 P HA 0.175 nan 4.420 nan 0.000 0.274 177 P C -0.214 177.182 177.300 0.159 0.000 1.231 177 P CA -0.383 62.766 63.100 0.082 0.000 0.790 177 P CB 0.967 32.784 31.700 0.195 0.000 0.951 178 W N 1.523 122.782 121.300 -0.068 0.000 2.150 178 W HA 0.256 4.916 4.660 -0.000 0.000 0.341 178 W C 0.211 176.637 176.519 -0.154 0.000 1.276 178 W CA -0.090 57.201 57.345 -0.089 0.000 1.238 178 W CB -0.219 29.195 29.460 -0.076 0.000 1.128 178 W HN 0.143 nan 8.180 nan 0.000 0.581 179 L N 3.186 124.432 121.223 0.038 0.000 2.324 179 L HA 0.554 4.893 4.340 -0.001 0.000 0.274 179 L C 0.142 176.852 176.870 -0.267 0.000 1.012 179 L CA -0.430 54.347 54.840 -0.105 0.000 0.859 179 L CB 0.670 42.697 42.059 -0.052 0.000 1.224 179 L HN 0.405 nan 8.230 nan 0.000 0.429 180 A N 4.640 127.168 122.820 -0.487 0.000 3.168 180 A HA 0.794 5.113 4.320 -0.001 0.000 0.260 180 A C 0.316 177.582 177.584 -0.530 0.000 1.598 180 A CA 0.341 51.888 52.037 -0.816 0.000 1.285 180 A CB -0.762 17.166 19.000 -1.788 0.000 1.149 180 A HN 0.875 nan 8.150 nan 0.000 0.630 181 A N 0.325 122.964 122.820 -0.302 0.000 2.485 181 A HA 0.662 4.982 4.320 -0.001 0.000 0.292 181 A C -0.833 176.688 177.584 -0.105 0.000 1.147 181 A CA -0.638 51.295 52.037 -0.172 0.000 0.750 181 A CB 0.791 19.724 19.000 -0.113 0.000 1.331 181 A HN 0.478 nan 8.150 nan 0.000 0.419 182 D N 0.538 120.913 120.400 -0.042 0.000 2.351 182 D HA 0.433 5.072 4.640 -0.001 0.000 0.251 182 D C -1.687 174.616 176.300 0.006 0.000 1.137 182 D CA -1.337 52.655 54.000 -0.013 0.000 0.879 182 D CB 1.236 42.043 40.800 0.012 0.000 1.181 182 D HN 0.126 nan 8.370 nan 0.000 0.448 183 P HA -0.196 nan 4.420 nan 0.000 0.216 183 P C 1.099 178.409 177.300 0.017 0.000 1.150 183 P CA 0.681 63.783 63.100 0.003 0.000 0.843 183 P CB 0.251 31.948 31.700 -0.006 0.000 0.787 184 V N -1.066 118.858 119.914 0.017 0.000 2.346 184 V HA -0.142 3.978 4.120 -0.001 0.000 0.244 184 V C 2.312 178.423 176.094 0.029 0.000 1.037 184 V CA 1.356 63.667 62.300 0.017 0.000 1.029 184 V CB -1.163 30.668 31.823 0.013 0.000 0.663 184 V HN 0.032 nan 8.190 nan 0.000 0.454 185 L N 0.180 121.435 121.223 0.053 0.000 2.095 185 L HA 0.101 4.441 4.340 -0.001 0.000 0.204 185 L C 1.293 178.252 176.870 0.149 0.000 1.080 185 L CA 1.738 56.632 54.840 0.090 0.000 0.759 185 L CB -0.110 42.032 42.059 0.137 0.000 0.914 185 L HN 0.265 nan 8.230 nan 0.000 0.439 186 S N 2.252 118.045 115.700 0.155 0.000 2.078 186 S HA 0.393 4.863 4.470 -0.001 0.000 0.168 186 S C -2.568 172.101 174.600 0.114 0.000 1.542 186 S CA -1.128 57.195 58.200 0.205 0.000 1.223 186 S CB 0.258 63.535 63.200 0.129 0.000 1.152 186 S HN 0.244 nan 8.310 nan 0.000 0.452 187 P HA 0.153 nan 4.420 nan 0.000 0.271 187 P C -0.070 177.266 177.300 0.061 0.000 1.218 187 P CA -0.383 62.752 63.100 0.059 0.000 0.780 187 P CB 0.869 32.593 31.700 0.041 0.000 0.901 188 L N 2.853 124.098 121.223 0.038 0.000 2.476 188 L HA 0.234 4.573 4.340 -0.001 0.000 0.255 188 L C 1.524 178.418 176.870 0.040 0.000 1.218 188 L CA -0.203 54.660 54.840 0.037 0.000 0.819 188 L CB 0.068 42.143 42.059 0.027 0.000 1.119 188 L HN 0.367 nan 8.230 nan 0.000 0.485 189 R N 1.077 121.601 120.500 0.040 0.000 2.832 189 R HA 0.303 4.643 4.340 -0.001 0.000 0.271 189 R C -1.749 174.568 176.300 0.028 0.000 0.996 189 R CA -1.771 54.351 56.100 0.035 0.000 0.977 189 R CB 0.835 31.160 30.300 0.041 0.000 1.168 189 R HN 0.366 nan 8.270 nan 0.000 0.482 190 P HA -0.229 nan 4.420 nan 0.000 0.219 190 P C 1.045 178.357 177.300 0.020 0.000 1.144 190 P CA 1.674 64.785 63.100 0.019 0.000 0.806 190 P CB -0.006 31.703 31.700 0.014 0.000 0.771 191 T N -4.345 110.223 114.554 0.022 0.000 3.085 191 T HA -0.015 4.335 4.350 -0.001 0.000 0.263 191 T C 0.782 175.499 174.700 0.028 0.000 1.127 191 T CA 0.558 62.671 62.100 0.022 0.000 1.103 191 T CB -0.488 68.393 68.868 0.021 0.000 0.921 191 T HN 0.071 nan 8.240 nan 0.000 0.510 192 D N 0.455 120.875 120.400 0.033 0.000 2.593 192 D HA 0.228 4.868 4.640 -0.001 0.000 0.241 192 D C 1.270 177.592 176.300 0.037 0.000 1.257 192 D CA -0.340 53.684 54.000 0.040 0.000 0.828 192 D CB 0.616 41.444 40.800 0.047 0.000 1.049 192 D HN 0.186 nan 8.370 nan 0.000 0.490 193 L N 1.434 122.675 121.223 0.030 0.000 2.129 193 L HA -0.048 4.291 4.340 -0.001 0.000 0.212 193 L C 2.103 178.992 176.870 0.033 0.000 1.087 193 L CA 1.682 56.538 54.840 0.028 0.000 0.757 193 L CB -0.564 41.508 42.059 0.023 0.000 0.896 193 L HN 0.188 nan 8.230 nan 0.000 0.434 194 G N -2.097 106.726 108.800 0.037 0.000 3.026 194 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.208 194 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.208 194 G C 0.571 175.507 174.900 0.060 0.000 1.169 194 G CA 0.329 45.456 45.100 0.045 0.000 0.788 194 G HN 0.364 nan 8.290 nan 0.000 0.533 195 T N 0.239 114.830 114.554 0.061 0.000 2.882 195 T HA 0.416 4.765 4.350 -0.001 0.000 0.287 195 T C -0.207 174.537 174.700 0.074 0.000 1.014 195 T CA -0.225 61.923 62.100 0.080 0.000 1.049 195 T CB 2.421 71.332 68.868 0.071 0.000 1.001 195 T HN -0.160 nan 8.240 nan 0.000 0.525 196 V N 2.803 122.780 119.914 0.105 0.000 2.334 196 V HA 0.340 4.460 4.120 -0.001 0.000 0.281 196 V C 0.019 176.086 176.094 -0.045 0.000 1.016 196 V CA -0.624 61.701 62.300 0.041 0.000 0.832 196 V CB 1.194 33.068 31.823 0.085 0.000 0.999 196 V HN 0.825 nan 8.190 nan 0.000 0.439 197 Q N 2.875 122.632 119.800 -0.072 0.000 2.430 197 Q HA 0.233 4.573 4.340 -0.001 0.000 0.245 197 Q C 1.185 177.096 176.000 -0.147 0.000 1.021 197 Q CA -0.074 55.666 55.803 -0.106 0.000 0.867 197 Q CB 1.441 30.143 28.738 -0.059 0.000 1.210 197 Q HN 0.937 nan 8.270 nan 0.000 0.487 198 T N 0.562 114.984 114.554 -0.219 0.000 3.023 198 T HA 0.310 4.660 4.350 -0.001 0.000 0.266 198 T C 0.866 175.521 174.700 -0.077 0.000 1.093 198 T CA 0.606 62.601 62.100 -0.176 0.000 1.129 198 T CB -0.019 68.745 68.868 -0.174 0.000 0.899 198 T HN 0.871 nan 8.240 nan 0.000 0.491 199 G N 0.549 109.281 108.800 -0.114 0.000 2.570 199 G HA2 0.404 4.363 3.960 -0.001 0.000 0.686 199 G HA3 0.404 4.363 3.960 -0.001 0.000 0.686 199 G C -0.288 174.537 174.900 -0.126 0.000 1.257 199 G CA -0.547 44.510 45.100 -0.072 0.000 0.846 199 G HN 0.965 nan 8.290 nan 0.000 0.627 200 A N 0.349 123.112 122.820 -0.094 0.000 2.445 200 A HA 0.538 4.858 4.320 -0.001 0.000 0.242 200 A C -0.090 177.531 177.584 0.061 0.000 1.075 200 A CA 0.294 52.254 52.037 -0.128 0.000 0.777 200 A CB 0.163 19.125 19.000 -0.063 0.000 1.013 200 A HN 1.145 nan 8.150 nan 0.000 0.493 201 W N 2.854 124.113 121.300 -0.068 0.000 2.295 201 W HA 0.427 5.087 4.660 -0.001 0.000 0.333 201 W C -0.764 175.721 176.519 -0.057 0.000 0.990 201 W CA -1.029 56.274 57.345 -0.069 0.000 1.453 201 W CB 0.180 29.595 29.460 -0.075 0.000 1.263 201 W HN 0.247 nan 8.180 nan 0.000 0.380 202 I N 4.874 125.537 120.570 0.154 0.000 2.378 202 I HA 0.190 4.360 4.170 -0.001 0.000 0.291 202 I C -0.128 176.015 176.117 0.043 0.000 0.992 202 I CA -1.534 59.809 61.300 0.071 0.000 1.154 202 I CB 1.361 39.381 38.000 0.033 0.000 1.315 202 I HN 0.051 nan 8.210 nan 0.000 0.448 203 L N 9.866 131.106 121.223 0.028 0.000 2.369 203 L HA 0.373 4.713 4.340 -0.001 0.000 0.279 203 L C -1.899 174.971 176.870 -0.001 0.000 1.108 203 L CA -0.920 53.925 54.840 0.009 0.000 0.852 203 L CB 0.110 42.175 42.059 0.010 0.000 1.169 203 L HN 0.372 nan 8.230 nan 0.000 0.452 204 P HA 0.017 nan 4.420 nan 0.000 0.266 204 P C -1.202 176.090 177.300 -0.013 0.000 1.195 204 P CA -0.066 63.027 63.100 -0.011 0.000 0.768 204 P CB 0.673 32.367 31.700 -0.010 0.000 0.838 205 D N 2.116 122.503 120.400 -0.021 0.000 2.441 205 D HA 0.114 4.754 4.640 -0.001 0.000 0.231 205 D C 0.220 176.507 176.300 -0.020 0.000 1.073 205 D CA -0.336 53.650 54.000 -0.022 0.000 0.850 205 D CB 0.568 41.346 40.800 -0.037 0.000 1.062 205 D HN 0.241 nan 8.370 nan 0.000 0.524 206 E N 2.055 122.247 120.200 -0.012 0.000 2.465 206 E HA 0.124 4.473 4.350 -0.001 0.000 0.195 206 E C 0.145 176.741 176.600 -0.006 0.000 1.028 206 E CA -0.223 56.171 56.400 -0.010 0.000 0.899 206 E CB 0.648 30.345 29.700 -0.006 0.000 1.032 206 E HN 0.245 nan 8.360 nan 0.000 0.468 207 R N 2.521 123.017 120.500 -0.006 0.000 2.590 207 R HA 0.118 4.458 4.340 -0.001 0.000 0.274 207 R C -2.101 174.198 176.300 -0.002 0.000 1.061 207 R CA -1.042 55.059 56.100 0.001 0.000 1.081 207 R CB 0.027 30.330 30.300 0.006 0.000 0.984 207 R HN 0.030 nan 8.270 nan 0.000 0.448 208 P HA 0.169 nan 4.420 nan 0.000 0.280 208 P C -0.581 176.724 177.300 0.008 0.000 1.272 208 P CA -0.516 62.586 63.100 0.003 0.000 0.819 208 P CB 0.839 32.542 31.700 0.006 0.000 1.122 209 L N 0.702 121.928 121.223 0.006 0.000 2.417 209 L HA 0.188 4.528 4.340 -0.001 0.000 0.268 209 L C 1.496 178.379 176.870 0.022 0.000 1.158 209 L CA -0.461 54.387 54.840 0.013 0.000 0.819 209 L CB 0.419 42.479 42.059 0.001 0.000 1.112 209 L HN 0.498 nan 8.230 nan 0.000 0.458 210 S N 1.749 117.475 115.700 0.043 0.000 2.566 210 S HA 0.106 4.576 4.470 -0.001 0.000 0.280 210 S C 1.198 175.821 174.600 0.038 0.000 1.343 210 S CA -0.086 58.147 58.200 0.055 0.000 1.036 210 S CB 1.285 64.543 63.200 0.097 0.000 0.866 210 S HN 0.723 nan 8.310 nan 0.000 0.526 211 A N 2.203 125.048 122.820 0.041 0.000 1.908 211 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 211 A C 2.006 179.609 177.584 0.033 0.000 1.181 211 A CA 1.975 54.030 52.037 0.030 0.000 0.627 211 A CB -1.255 17.766 19.000 0.034 0.000 0.818 211 A HN 0.954 nan 8.150 nan 0.000 0.445 212 E N -0.364 119.880 120.200 0.073 0.000 2.058 212 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 212 E C 1.878 178.451 176.600 -0.044 0.000 0.997 212 E CA 1.244 57.710 56.400 0.110 0.000 0.801 212 E CB -0.463 29.388 29.700 0.251 0.000 0.746 212 E HN 0.501 nan 8.360 nan 0.000 0.450 213 L N 1.294 122.430 121.223 -0.144 0.000 2.042 213 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 213 L C 1.838 178.558 176.870 -0.249 0.000 1.076 213 L CA 1.890 56.409 54.840 -0.536 0.000 0.749 213 L CB -0.425 41.490 42.059 -0.239 0.000 0.893 213 L HN 0.023 nan 8.230 nan 0.000 0.432 214 E N 0.064 120.203 120.200 -0.101 0.000 2.077 214 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 214 E C 2.188 178.759 176.600 -0.049 0.000 0.989 214 E CA 1.399 57.766 56.400 -0.056 0.000 0.800 214 E CB -0.455 29.230 29.700 -0.025 0.000 0.746 214 E HN 0.644 nan 8.360 nan 0.000 0.452 215 A N 0.913 123.716 122.820 -0.028 0.000 1.902 215 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 215 A C 2.084 179.666 177.584 -0.003 0.000 1.181 215 A CA 1.320 53.356 52.037 -0.003 0.000 0.623 215 A CB -0.820 18.202 19.000 0.036 0.000 0.818 215 A HN 0.274 nan 8.150 nan 0.000 0.443 216 F N 0.763 120.599 119.950 -0.191 0.000 2.075 216 F HA -0.159 4.368 4.527 -0.001 0.000 0.297 216 F C 1.981 177.690 175.800 -0.153 0.000 1.113 216 F CA 1.795 59.676 58.000 -0.198 0.000 1.218 216 F CB -0.428 38.296 39.000 -0.460 0.000 0.984 216 F HN 0.142 nan 8.300 nan 0.000 0.472 217 L N -0.051 121.095 121.223 -0.128 0.000 2.043 217 L HA -0.281 4.058 4.340 -0.001 0.000 0.212 217 L C 2.690 179.455 176.870 -0.176 0.000 1.075 217 L CA 1.476 56.223 54.840 -0.155 0.000 0.752 217 L CB -1.304 40.720 42.059 -0.058 0.000 0.891 217 L HN 0.305 nan 8.230 nan 0.000 0.432 218 A N -0.367 122.375 122.820 -0.130 0.000 1.970 218 A HA 0.076 4.396 4.320 -0.001 0.000 0.216 218 A C 2.449 179.959 177.584 -0.124 0.000 1.170 218 A CA 0.984 52.960 52.037 -0.102 0.000 0.645 218 A CB -0.491 18.472 19.000 -0.062 0.000 0.816 218 A HN 0.357 nan 8.150 nan 0.000 0.447 219 A N -1.096 121.629 122.820 -0.158 0.000 2.245 219 A HA 0.358 4.677 4.320 -0.001 0.000 0.217 219 A C 1.303 178.782 177.584 -0.176 0.000 1.171 219 A CA 1.815 53.762 52.037 -0.150 0.000 0.688 219 A CB -0.691 18.221 19.000 -0.146 0.000 0.781 219 A HN 1.407 nan 8.150 nan 0.000 0.479 220 G N -1.902 106.770 108.800 -0.214 0.000 2.450 220 G HA2 0.424 4.384 3.960 -0.001 0.000 0.273 220 G HA3 0.424 4.384 3.960 -0.001 0.000 0.273 220 G C -0.260 174.546 174.900 -0.157 0.000 1.221 220 G CA 0.113 45.108 45.100 -0.176 0.000 0.900 220 G HN 0.904 nan 8.290 nan 0.000 0.483 221 S N -0.308 115.316 115.700 -0.127 0.000 2.585 221 S HA 0.471 4.941 4.470 -0.001 0.000 0.273 221 S C 0.438 174.983 174.600 -0.091 0.000 1.339 221 S CA 0.442 58.589 58.200 -0.087 0.000 1.028 221 S CB 0.835 64.002 63.200 -0.055 0.000 0.906 221 S HN 0.949 nan 8.310 nan 0.000 0.528 222 T N 5.359 119.881 114.554 -0.053 0.000 2.822 222 T HA 0.183 4.533 4.350 -0.001 0.000 0.288 222 T C -1.682 173.019 174.700 0.002 0.000 0.991 222 T CA -0.299 61.785 62.100 -0.026 0.000 1.176 222 T CB -0.385 68.479 68.868 -0.007 0.000 0.951 222 T HN 0.639 nan 8.240 nan 0.000 0.526 223 P HA 0.445 nan 4.420 nan 0.000 0.282 223 P C -0.894 176.474 177.300 0.114 0.000 1.287 223 P CA -0.605 62.555 63.100 0.100 0.000 0.792 223 P CB 0.899 32.724 31.700 0.208 0.000 1.163 224 V N 0.502 120.493 119.914 0.129 0.000 2.555 224 V HA 0.208 4.327 4.120 -0.001 0.000 0.302 224 V C -0.327 175.866 176.094 0.166 0.000 1.038 224 V CA -0.718 61.654 62.300 0.120 0.000 0.887 224 V CB 1.174 33.042 31.823 0.075 0.000 0.991 224 V HN 0.474 nan 8.190 nan 0.000 0.434 225 Y N 4.796 125.136 120.300 0.067 0.000 2.335 225 Y HA 0.583 5.133 4.550 -0.001 0.000 0.331 225 Y C -0.388 175.550 175.900 0.065 0.000 1.094 225 Y CA -0.075 58.087 58.100 0.104 0.000 1.253 225 Y CB 1.279 39.838 38.460 0.165 0.000 1.203 225 Y HN 0.374 nan 8.280 nan 0.000 0.508 226 V N 5.814 125.343 119.914 -0.641 0.000 2.483 226 V HA 0.777 4.896 4.120 -0.001 0.000 0.297 226 V C -0.166 175.476 176.094 -0.754 0.000 1.027 226 V CA -0.217 61.795 62.300 -0.480 0.000 0.855 226 V CB 1.363 33.114 31.823 -0.119 0.000 0.995 226 V HN 1.021 nan 8.190 nan 0.000 0.424 227 G N 3.001 111.410 108.800 -0.651 0.000 2.761 227 G HA2 0.591 4.550 3.960 -0.001 0.000 0.296 227 G HA3 0.591 4.550 3.960 -0.001 0.000 0.296 227 G C -1.168 173.542 174.900 -0.316 0.000 1.416 227 G CA -0.342 44.566 45.100 -0.320 0.000 1.105 227 G HN 0.448 nan 8.290 nan 0.000 0.565 228 F N 1.911 121.842 119.950 -0.031 0.000 2.805 228 F HA 0.521 5.048 4.527 -0.001 0.000 0.317 228 F C 1.362 176.753 175.800 -0.682 0.000 1.146 228 F CA 0.268 58.135 58.000 -0.223 0.000 1.265 228 F CB 0.999 39.930 39.000 -0.114 0.000 0.992 228 F HN 1.101 nan 8.300 nan 0.000 0.511 229 G N 0.324 108.929 108.800 -0.325 0.000 2.725 229 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.220 229 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.220 229 G C 0.772 175.638 174.900 -0.057 0.000 1.357 229 G CA -0.192 44.779 45.100 -0.215 0.000 0.866 229 G HN 0.119 nan 8.290 nan 0.000 0.548 230 S N -0.425 115.277 115.700 0.003 0.000 2.402 230 S HA 0.098 4.567 4.470 -0.001 0.000 0.229 230 S C 1.804 176.416 174.600 0.020 0.000 1.021 230 S CA 1.468 59.688 58.200 0.033 0.000 0.974 230 S CB -0.277 62.961 63.200 0.064 0.000 0.800 230 S HN 1.720 nan 8.310 nan 0.000 0.484 231 S N 1.822 117.527 115.700 0.008 0.000 2.711 231 S HA -0.077 4.392 4.470 -0.001 0.000 0.320 231 S C 1.047 175.649 174.600 0.003 0.000 1.240 231 S CA 0.473 58.679 58.200 0.010 0.000 1.034 231 S CB 0.296 63.499 63.200 0.005 0.000 0.741 231 S HN 0.518 nan 8.310 nan 0.000 0.496 232 S N 4.163 119.867 115.700 0.007 0.000 2.578 232 S HA 0.288 4.757 4.470 -0.001 0.000 0.231 232 S C 0.273 174.868 174.600 -0.008 0.000 0.994 232 S CA -0.664 57.536 58.200 -0.000 0.000 0.956 232 S CB 0.087 63.292 63.200 0.009 0.000 0.870 232 S HN 0.767 nan 8.310 nan 0.000 0.494 233 R N 2.843 123.338 120.500 -0.008 0.000 2.638 233 R HA 0.121 4.461 4.340 -0.001 0.000 0.268 233 R C -1.324 174.957 176.300 -0.030 0.000 1.006 233 R CA -0.723 55.369 56.100 -0.012 0.000 1.088 233 R CB -0.095 30.202 30.300 -0.006 0.000 0.950 233 R HN 0.222 nan 8.270 nan 0.000 0.419 234 P HA -0.268 nan 4.420 nan 0.000 0.215 234 P C 0.910 178.173 177.300 -0.062 0.000 1.153 234 P CA 1.839 64.915 63.100 -0.040 0.000 0.853 234 P CB 0.063 31.745 31.700 -0.029 0.000 0.788 235 A N -0.158 122.628 122.820 -0.058 0.000 1.948 235 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 235 A C 2.383 179.884 177.584 -0.139 0.000 1.177 235 A CA 2.590 54.580 52.037 -0.079 0.000 0.636 235 A CB -1.934 17.035 19.000 -0.052 0.000 0.815 235 A HN 0.239 nan 8.150 nan 0.000 0.449 236 T N 0.046 114.520 114.554 -0.133 0.000 2.777 236 T HA 0.034 4.383 4.350 -0.001 0.000 0.266 236 T C 2.247 176.792 174.700 -0.258 0.000 1.040 236 T CA 1.461 63.433 62.100 -0.213 0.000 1.141 236 T CB -0.430 68.375 68.868 -0.105 0.000 0.868 236 T HN 0.620 nan 8.240 nan 0.000 0.444 237 A N 2.137 124.866 122.820 -0.152 0.000 1.902 237 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 237 A C 2.120 179.612 177.584 -0.152 0.000 1.181 237 A CA 1.770 53.732 52.037 -0.126 0.000 0.623 237 A CB -0.643 18.310 19.000 -0.078 0.000 0.818 237 A HN 0.369 nan 8.150 nan 0.000 0.443 238 D N 0.178 120.489 120.400 -0.148 0.000 2.097 238 D HA -0.073 4.566 4.640 -0.001 0.000 0.195 238 D C 2.302 178.482 176.300 -0.200 0.000 0.989 238 D CA 1.560 55.479 54.000 -0.135 0.000 0.827 238 D CB -0.651 40.087 40.800 -0.103 0.000 0.966 238 D HN 0.408 nan 8.370 nan 0.000 0.456 239 A N 1.403 124.033 122.820 -0.316 0.000 1.927 239 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 239 A C 2.350 179.600 177.584 -0.556 0.000 1.185 239 A CA 2.811 54.547 52.037 -0.501 0.000 0.639 239 A CB -0.831 17.667 19.000 -0.837 0.000 0.820 239 A HN 0.275 nan 8.150 nan 0.000 0.451 240 A N -0.987 121.507 122.820 -0.544 0.000 1.969 240 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 240 A C 2.233 179.785 177.584 -0.054 0.000 1.169 240 A CA 1.981 53.909 52.037 -0.181 0.000 0.635 240 A CB -0.416 18.541 19.000 -0.071 0.000 0.810 240 A HN 0.392 nan 8.150 nan 0.000 0.445 241 K N -0.814 119.532 120.400 -0.091 0.000 2.025 241 K HA -0.024 4.296 4.320 -0.001 0.000 0.207 241 K C 2.169 178.753 176.600 -0.027 0.000 1.049 241 K CA 1.520 57.778 56.287 -0.048 0.000 0.933 241 K CB -0.564 31.903 32.500 -0.055 0.000 0.714 241 K HN 0.608 nan 8.250 nan 0.000 0.438 242 M N 0.125 119.701 119.600 -0.040 0.000 2.229 242 M HA 0.078 4.558 4.480 -0.001 0.000 0.264 242 M C 2.489 178.801 176.300 0.021 0.000 1.063 242 M CA 1.599 56.891 55.300 -0.014 0.000 1.114 242 M CB -1.288 31.297 32.600 -0.025 0.000 1.387 242 M HN 0.328 nan 8.290 nan 0.000 0.420 243 A N 1.072 123.922 122.820 0.051 0.000 1.873 243 A HA -0.104 4.215 4.320 -0.001 0.000 0.215 243 A C 2.129 179.754 177.584 0.069 0.000 1.186 243 A CA 1.066 53.164 52.037 0.103 0.000 0.616 243 A CB -0.573 18.566 19.000 0.232 0.000 0.823 243 A HN 0.358 nan 8.150 nan 0.000 0.442 244 I N 0.143 120.746 120.570 0.055 0.000 2.118 244 I HA -0.301 3.869 4.170 -0.001 0.000 0.241 244 I C 2.292 178.428 176.117 0.033 0.000 1.070 244 I CA 1.980 63.303 61.300 0.038 0.000 1.327 244 I CB -1.302 36.710 38.000 0.021 0.000 1.034 244 I HN 0.386 nan 8.210 nan 0.000 0.405 245 K N 0.823 121.237 120.400 0.023 0.000 2.057 245 K HA -0.118 4.202 4.320 -0.001 0.000 0.207 245 K C 2.225 178.838 176.600 0.023 0.000 1.049 245 K CA 1.577 57.875 56.287 0.019 0.000 0.931 245 K CB -0.218 32.287 32.500 0.010 0.000 0.714 245 K HN 0.337 nan 8.250 nan 0.000 0.440 246 A N 0.877 123.714 122.820 0.027 0.000 1.969 246 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 246 A C 2.293 179.895 177.584 0.030 0.000 1.169 246 A CA 1.117 53.171 52.037 0.028 0.000 0.635 246 A CB -0.354 18.666 19.000 0.033 0.000 0.810 246 A HN 0.065 nan 8.150 nan 0.000 0.445 247 V N -0.190 119.746 119.914 0.037 0.000 2.379 247 V HA -0.187 3.933 4.120 -0.001 0.000 0.245 247 V C 2.557 178.674 176.094 0.038 0.000 1.044 247 V CA 1.928 64.252 62.300 0.040 0.000 1.036 247 V CB -0.747 31.106 31.823 0.051 0.000 0.664 247 V HN 0.505 nan 8.190 nan 0.000 0.453 248 R N 0.288 120.810 120.500 0.036 0.000 2.092 248 R HA -0.055 4.285 4.340 -0.001 0.000 0.231 248 R C 2.455 178.770 176.300 0.025 0.000 1.119 248 R CA 1.292 57.412 56.100 0.034 0.000 0.970 248 R CB -0.570 29.749 30.300 0.031 0.000 0.864 248 R HN 0.516 nan 8.270 nan 0.000 0.440 249 A N 0.750 123.584 122.820 0.022 0.000 1.940 249 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 249 A C 1.926 179.519 177.584 0.016 0.000 1.176 249 A CA 1.769 53.816 52.037 0.017 0.000 0.631 249 A CB -0.251 18.758 19.000 0.015 0.000 0.814 249 A HN 0.224 nan 8.150 nan 0.000 0.446 250 S N -1.205 114.505 115.700 0.018 0.000 2.631 250 S HA 0.374 4.844 4.470 -0.001 0.000 0.217 250 S C 1.207 175.816 174.600 0.015 0.000 0.958 250 S CA 0.582 58.791 58.200 0.015 0.000 0.920 250 S CB -0.155 63.055 63.200 0.016 0.000 0.776 250 S HN 1.638 nan 8.310 nan 0.000 0.517 251 G N 2.325 111.136 108.800 0.018 0.000 2.246 251 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.273 251 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.273 251 G C -0.012 174.900 174.900 0.019 0.000 1.055 251 G CA -0.114 44.996 45.100 0.017 0.000 0.851 251 G HN 0.312 nan 8.290 nan 0.000 0.500 252 R N -0.945 119.572 120.500 0.028 0.000 2.902 252 R HA 0.633 4.973 4.340 -0.001 0.000 0.258 252 R C 0.762 177.096 176.300 0.057 0.000 1.071 252 R CA -0.855 55.265 56.100 0.034 0.000 1.024 252 R CB 1.078 31.399 30.300 0.035 0.000 1.184 252 R HN 0.361 nan 8.270 nan 0.000 0.492 253 R N 0.318 120.859 120.500 0.069 0.000 2.553 253 R HA 0.581 4.921 4.340 -0.001 0.000 0.263 253 R C -0.004 176.404 176.300 0.179 0.000 1.066 253 R CA -0.506 55.676 56.100 0.137 0.000 1.135 253 R CB 0.682 31.050 30.300 0.114 0.000 1.148 253 R HN 0.395 nan 8.270 nan 0.000 0.558 254 I N -0.059 120.663 120.570 0.253 0.000 2.689 254 I HA 0.347 4.517 4.170 -0.001 0.000 0.299 254 I C -0.872 175.384 176.117 0.232 0.000 1.059 254 I CA -1.122 60.294 61.300 0.194 0.000 1.055 254 I CB 2.421 40.484 38.000 0.105 0.000 1.243 254 I HN 0.158 nan 8.210 nan 0.000 0.425 255 V N 5.531 125.551 119.914 0.177 0.000 2.325 255 V HA 0.320 4.440 4.120 -0.001 0.000 0.280 255 V C -0.541 175.565 176.094 0.020 0.000 1.016 255 V CA -0.490 61.922 62.300 0.188 0.000 0.818 255 V CB 1.357 33.373 31.823 0.320 0.000 1.019 255 V HN 0.398 nan 8.190 nan 0.000 0.434 256 L N 4.386 125.590 121.223 -0.032 0.000 2.276 256 L HA 0.574 4.914 4.340 -0.001 0.000 0.286 256 L C 0.550 177.350 176.870 -0.118 0.000 1.061 256 L CA 0.615 55.386 54.840 -0.115 0.000 0.807 256 L CB 1.734 43.740 42.059 -0.089 0.000 1.177 256 L HN 0.621 nan 8.230 nan 0.000 0.429 257 S N 5.978 121.581 115.700 -0.161 0.000 2.499 257 S HA 0.602 5.072 4.470 -0.001 0.000 0.275 257 S C -0.234 174.318 174.600 -0.079 0.000 1.257 257 S CA -0.600 57.551 58.200 -0.082 0.000 1.050 257 S CB 0.046 63.219 63.200 -0.044 0.000 0.937 257 S HN 0.641 nan 8.310 nan 0.000 0.490 258 R N 2.492 122.924 120.500 -0.113 0.000 2.837 258 R HA 0.572 4.912 4.340 -0.001 0.000 0.271 258 R C 0.320 176.511 176.300 -0.182 0.000 0.993 258 R CA -0.700 55.321 56.100 -0.131 0.000 0.931 258 R CB 1.534 31.739 30.300 -0.159 0.000 1.206 258 R HN 0.754 nan 8.270 nan 0.000 0.474 259 G N -0.498 108.217 108.800 -0.143 0.000 2.521 259 G HA2 0.324 4.284 3.960 -0.001 0.000 0.323 259 G HA3 0.324 4.284 3.960 -0.001 0.000 0.323 259 G C -0.007 174.793 174.900 -0.167 0.000 1.211 259 G CA -0.648 44.360 45.100 -0.153 0.000 0.979 259 G HN 0.641 nan 8.290 nan 0.000 0.490 260 W N -0.047 121.247 121.300 -0.010 0.000 2.388 260 W HA 0.060 4.719 4.660 -0.001 0.000 0.294 260 W C 2.639 179.148 176.519 -0.016 0.000 1.212 260 W CA 1.135 58.472 57.345 -0.014 0.000 1.271 260 W CB 0.089 29.541 29.460 -0.012 0.000 1.126 260 W HN 0.526 nan 8.180 nan 0.000 0.535 261 A N -0.460 122.478 122.820 0.196 0.000 2.119 261 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 261 A C 0.586 178.202 177.584 0.053 0.000 1.152 261 A CA 0.640 52.742 52.037 0.108 0.000 0.708 261 A CB -0.555 18.496 19.000 0.085 0.000 0.805 261 A HN -0.044 nan 8.150 nan 0.000 0.460 262 D N -0.015 120.400 120.400 0.025 0.000 2.372 262 D HA 0.342 4.982 4.640 -0.001 0.000 0.243 262 D C 0.201 176.493 176.300 -0.013 0.000 1.121 262 D CA 0.047 54.042 54.000 -0.008 0.000 0.898 262 D CB 0.828 41.605 40.800 -0.038 0.000 1.202 262 D HN 0.196 nan 8.370 nan 0.000 0.428 263 L N 0.948 122.161 121.223 -0.017 0.000 2.472 263 L HA 0.093 4.432 4.340 -0.001 0.000 0.260 263 L C 0.280 177.128 176.870 -0.036 0.000 1.209 263 L CA -0.616 54.213 54.840 -0.019 0.000 0.817 263 L CB 0.560 42.608 42.059 -0.018 0.000 1.106 263 L HN 0.044 nan 8.230 nan 0.000 0.479 264 V N 2.705 122.597 119.914 -0.036 0.000 2.583 264 V HA 0.118 4.237 4.120 -0.001 0.000 0.287 264 V C 0.514 176.576 176.094 -0.052 0.000 1.051 264 V CA -0.549 61.720 62.300 -0.052 0.000 1.010 264 V CB 1.130 32.926 31.823 -0.046 0.000 0.988 264 V HN 0.424 nan 8.190 nan 0.000 0.478 265 L N 6.457 127.640 121.223 -0.067 0.000 2.485 265 L HA 0.088 4.428 4.340 -0.001 0.000 0.275 265 L C -0.951 175.890 176.870 -0.049 0.000 1.207 265 L CA -0.982 53.822 54.840 -0.060 0.000 0.855 265 L CB 0.088 42.102 42.059 -0.074 0.000 1.114 265 L HN 0.553 nan 8.230 nan 0.000 0.485 266 P HA -0.109 nan 4.420 nan 0.000 0.205 266 P C 0.306 177.588 177.300 -0.030 0.000 1.181 266 P CA 1.567 64.650 63.100 -0.029 0.000 0.933 266 P CB 0.060 31.747 31.700 -0.023 0.000 0.775 267 D N -1.999 118.385 120.400 -0.028 0.000 2.636 267 D HA 0.577 5.217 4.640 -0.001 0.000 0.236 267 D C -0.394 175.887 176.300 -0.032 0.000 1.176 267 D CA 0.227 54.212 54.000 -0.025 0.000 1.081 267 D CB 0.128 40.920 40.800 -0.014 0.000 1.213 267 D HN 0.382 nan 8.370 nan 0.000 0.633 268 D N -2.789 117.599 120.400 -0.021 0.000 2.898 268 D HA 0.584 5.224 4.640 -0.001 0.000 0.254 268 D C 0.182 176.484 176.300 0.004 0.000 1.107 268 D CA -0.068 53.920 54.000 -0.021 0.000 0.729 268 D CB 0.309 41.077 40.800 -0.053 0.000 1.734 268 D HN 1.142 nan 8.370 nan 0.000 0.452 269 G N -1.330 107.483 108.800 0.022 0.000 2.653 269 G HA2 0.657 4.617 3.960 -0.001 0.000 0.265 269 G HA3 0.657 4.617 3.960 -0.001 0.000 0.265 269 G C 1.307 176.255 174.900 0.080 0.000 1.237 269 G CA 0.684 45.814 45.100 0.049 0.000 0.946 269 G HN 1.742 nan 8.290 nan 0.000 0.522 270 A N -0.763 122.126 122.820 0.115 0.000 2.275 270 A HA 0.189 4.509 4.320 -0.001 0.000 0.212 270 A C 1.489 179.269 177.584 0.326 0.000 1.201 270 A CA 1.205 53.354 52.037 0.186 0.000 0.843 270 A CB -0.026 19.062 19.000 0.146 0.000 0.873 270 A HN 0.596 nan 8.150 nan 0.000 0.492 271 D N -1.814 118.744 120.400 0.263 0.000 2.369 271 D HA 0.072 4.712 4.640 -0.001 0.000 0.211 271 D C 0.279 176.831 176.300 0.419 0.000 1.077 271 D CA -0.147 54.053 54.000 0.333 0.000 0.842 271 D CB -0.680 40.221 40.800 0.169 0.000 0.947 271 D HN 0.157 nan 8.370 nan 0.000 0.509 272 C N 0.897 120.338 119.300 0.235 0.000 2.340 272 C HA 0.690 5.150 4.460 -0.001 0.000 0.323 272 C C -1.346 173.557 174.990 -0.146 0.000 1.260 272 C CA -1.038 58.028 59.018 0.080 0.000 1.464 272 C CB -0.702 27.054 27.740 0.028 0.000 2.156 272 C HN 0.221 nan 8.230 nan 0.000 0.476 273 F N 6.364 126.004 119.950 -0.518 0.000 2.427 273 F HA 0.611 5.137 4.527 -0.001 0.000 0.348 273 F C -0.162 175.438 175.800 -0.333 0.000 1.125 273 F CA -0.467 57.121 58.000 -0.686 0.000 0.989 273 F CB 1.358 39.533 39.000 -1.375 0.000 1.165 273 F HN 0.456 nan 8.300 nan 0.000 0.442 274 V N 6.793 126.298 119.914 -0.683 0.000 2.614 274 V HA 0.376 4.495 4.120 -0.001 0.000 0.291 274 V C -0.204 175.619 176.094 -0.451 0.000 1.049 274 V CA -0.255 61.777 62.300 -0.446 0.000 1.038 274 V CB 1.172 32.766 31.823 -0.381 0.000 0.980 274 V HN 0.578 nan 8.190 nan 0.000 0.481 275 V N 3.575 123.383 119.914 -0.177 0.000 2.962 275 V HA 0.856 4.975 4.120 -0.001 0.000 0.313 275 V C 0.574 176.595 176.094 -0.121 0.000 1.099 275 V CA 0.390 62.651 62.300 -0.066 0.000 0.971 275 V CB 1.970 33.873 31.823 0.134 0.000 1.028 275 V HN 0.949 nan 8.190 nan 0.000 0.430 276 G N 1.101 109.807 108.800 -0.158 0.000 3.069 276 G HA2 0.249 4.209 3.960 -0.001 0.000 0.205 276 G HA3 0.249 4.209 3.960 -0.001 0.000 0.205 276 G C -0.204 174.606 174.900 -0.150 0.000 1.771 276 G CA -0.223 44.716 45.100 -0.269 0.000 0.739 276 G HN 0.529 nan 8.290 nan 0.000 0.784 277 E N 1.277 121.392 120.200 -0.142 0.000 1.800 277 E HA 0.246 4.596 4.350 -0.001 0.000 0.262 277 E C -0.470 176.141 176.600 0.018 0.000 1.219 277 E CA 0.049 56.462 56.400 0.022 0.000 1.051 277 E CB 0.711 30.517 29.700 0.177 0.000 1.074 277 E HN 0.097 nan 8.360 nan 0.000 0.433 278 V N 2.468 122.380 119.914 -0.002 0.000 3.096 278 V HA 0.265 4.384 4.120 -0.001 0.000 0.319 278 V C 0.068 176.132 176.094 -0.051 0.000 1.103 278 V CA -0.988 61.308 62.300 -0.007 0.000 1.016 278 V CB 2.243 34.074 31.823 0.013 0.000 1.090 278 V HN 0.435 nan 8.190 nan 0.000 0.449 279 N N 3.394 122.058 118.700 -0.061 0.000 2.719 279 N HA 0.200 4.940 4.740 -0.001 0.000 0.243 279 N C 0.837 176.232 175.510 -0.192 0.000 1.104 279 N CA 0.134 53.126 53.050 -0.098 0.000 0.981 279 N CB 0.422 38.873 38.487 -0.059 0.000 1.290 279 N HN 0.726 nan 8.380 nan 0.000 0.513 280 L N 2.184 123.215 121.223 -0.320 0.000 2.042 280 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 280 L C 2.207 178.730 176.870 -0.578 0.000 1.076 280 L CA 1.274 55.712 54.840 -0.671 0.000 0.749 280 L CB -0.131 41.373 42.059 -0.925 0.000 0.893 280 L HN 0.566 nan 8.230 nan 0.000 0.432 281 Q N -0.473 119.131 119.800 -0.327 0.000 2.096 281 Q HA -0.311 4.029 4.340 -0.001 0.000 0.208 281 Q C 2.088 178.024 176.000 -0.107 0.000 0.993 281 Q CA 2.260 57.957 55.803 -0.176 0.000 0.862 281 Q CB -0.074 28.602 28.738 -0.104 0.000 0.915 281 Q HN 0.352 nan 8.270 nan 0.000 0.416 282 E N 0.193 120.331 120.200 -0.102 0.000 2.170 282 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 282 E C 1.617 178.200 176.600 -0.028 0.000 0.981 282 E CA 0.277 56.649 56.400 -0.048 0.000 0.830 282 E CB -0.072 29.606 29.700 -0.037 0.000 0.775 282 E HN 0.220 nan 8.360 nan 0.000 0.470 283 L N -0.200 120.981 121.223 -0.071 0.000 2.056 283 L HA -0.003 4.337 4.340 -0.001 0.000 0.207 283 L C 1.718 178.667 176.870 0.133 0.000 1.078 283 L CA 1.529 56.369 54.840 0.000 0.000 0.749 283 L CB -0.655 41.375 42.059 -0.048 0.000 0.901 283 L HN 0.121 nan 8.230 nan 0.000 0.433 284 F N 0.318 120.197 119.950 -0.117 0.000 2.408 284 F HA 0.008 4.534 4.527 -0.001 0.000 0.300 284 F C 2.348 178.114 175.800 -0.057 0.000 1.090 284 F CA 0.725 58.654 58.000 -0.118 0.000 1.427 284 F CB -1.630 37.275 39.000 -0.158 0.000 1.070 284 F HN 0.263 nan 8.300 nan 0.000 0.549 285 G N -0.754 108.130 108.800 0.140 0.000 2.985 285 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.209 285 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.209 285 G C 1.460 176.393 174.900 0.055 0.000 1.165 285 G CA -0.070 45.074 45.100 0.073 0.000 0.776 285 G HN 0.098 nan 8.290 nan 0.000 0.541 286 R N 0.248 120.792 120.500 0.074 0.000 2.543 286 R HA 0.233 4.573 4.340 -0.001 0.000 0.323 286 R C 0.136 176.478 176.300 0.070 0.000 1.002 286 R CA -0.015 56.118 56.100 0.056 0.000 1.106 286 R CB 0.069 30.398 30.300 0.049 0.000 1.280 286 R HN 0.346 nan 8.270 nan 0.000 0.549 287 V N -4.150 115.812 119.914 0.081 0.000 3.113 287 V HA 0.806 4.925 4.120 -0.001 0.000 0.316 287 V C 0.901 177.016 176.094 0.034 0.000 1.125 287 V CA -0.613 61.735 62.300 0.080 0.000 1.026 287 V CB 1.912 33.816 31.823 0.136 0.000 1.080 287 V HN -0.079 nan 8.190 nan 0.000 0.444 288 A N 0.842 123.681 122.820 0.032 0.000 1.984 288 A HA 0.868 5.188 4.320 -0.001 0.000 0.214 288 A C 1.128 178.706 177.584 -0.010 0.000 1.173 288 A CA 1.028 53.070 52.037 0.009 0.000 0.673 288 A CB -0.269 18.739 19.000 0.014 0.000 0.830 288 A HN 2.225 nan 8.150 nan 0.000 0.453 289 A N -2.279 120.536 122.820 -0.008 0.000 2.564 289 A HA 0.734 5.054 4.320 -0.001 0.000 0.291 289 A C -1.053 176.512 177.584 -0.031 0.000 1.102 289 A CA 0.007 52.022 52.037 -0.037 0.000 0.660 289 A CB 0.164 19.153 19.000 -0.017 0.000 1.283 289 A HN 1.630 nan 8.150 nan 0.000 0.430 290 A N 0.341 123.130 122.820 -0.052 0.000 2.408 290 A HA 0.695 5.014 4.320 -0.001 0.000 0.295 290 A C -1.122 176.490 177.584 0.047 0.000 1.040 290 A CA -0.228 51.832 52.037 0.038 0.000 0.707 290 A CB 0.568 19.456 19.000 -0.187 0.000 1.235 290 A HN 0.803 nan 8.150 nan 0.000 0.418 291 I N 4.190 124.779 120.570 0.031 0.000 2.330 291 I HA 0.423 4.593 4.170 -0.001 0.000 0.286 291 I C 0.182 176.117 176.117 -0.303 0.000 1.025 291 I CA -0.261 60.972 61.300 -0.111 0.000 1.197 291 I CB 0.509 38.493 38.000 -0.026 0.000 1.358 291 I HN 0.974 nan 8.210 nan 0.000 0.467 292 H N 3.527 122.410 119.070 -0.311 0.000 3.048 292 H HA 0.587 5.142 4.556 -0.001 0.000 0.296 292 H C -0.524 174.712 175.328 -0.154 0.000 1.508 292 H CA -0.971 54.807 56.048 -0.450 0.000 1.250 292 H CB 0.624 30.384 29.762 -0.003 0.000 1.896 292 H HN 0.452 nan 8.280 nan 0.000 0.604 293 H N -1.327 117.800 119.070 0.095 0.000 2.497 293 H HA 0.228 4.783 4.556 -0.001 0.000 0.348 293 H C -0.578 174.920 175.328 0.283 0.000 1.335 293 H CA -0.853 55.353 56.048 0.264 0.000 1.395 293 H CB 0.299 30.254 29.762 0.322 0.000 1.658 293 H HN 0.760 nan 8.280 nan 0.000 0.613 294 D N 0.690 121.205 120.400 0.193 0.000 2.545 294 D HA 0.050 4.689 4.640 -0.001 0.000 0.227 294 D C -0.645 175.631 176.300 -0.040 0.000 1.150 294 D CA 0.219 54.294 54.000 0.125 0.000 1.046 294 D CB -0.102 40.824 40.800 0.209 0.000 1.098 294 D HN 0.414 nan 8.370 nan 0.000 0.502 295 S N 0.794 116.301 115.700 -0.323 0.000 2.500 295 S HA 0.523 4.992 4.470 -0.001 0.000 0.301 295 S C 0.921 175.164 174.600 -0.595 0.000 1.092 295 S CA -0.468 57.460 58.200 -0.454 0.000 1.030 295 S CB 1.802 64.600 63.200 -0.670 0.000 1.031 295 S HN 0.322 nan 8.310 nan 0.000 0.483 296 A N 4.357 126.720 122.820 -0.761 0.000 1.930 296 A HA 0.146 4.466 4.320 -0.001 0.000 0.217 296 A C 1.986 179.412 177.584 -0.264 0.000 1.175 296 A CA 1.876 53.487 52.037 -0.709 0.000 0.627 296 A CB -1.381 17.411 19.000 -0.347 0.000 0.815 296 A HN 1.041 nan 8.150 nan 0.000 0.443 297 G N -1.011 107.666 108.800 -0.205 0.000 2.414 297 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.215 297 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.215 297 G C 1.581 176.405 174.900 -0.126 0.000 1.188 297 G CA 1.599 46.625 45.100 -0.124 0.000 0.783 297 G HN 0.425 nan 8.290 nan 0.000 0.537 298 T N 1.041 115.482 114.554 -0.187 0.000 2.746 298 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 298 T C 2.587 177.131 174.700 -0.260 0.000 1.039 298 T CA 1.734 63.703 62.100 -0.219 0.000 1.142 298 T CB -0.520 68.129 68.868 -0.365 0.000 0.866 298 T HN 0.264 nan 8.240 nan 0.000 0.444 299 T N 2.215 116.623 114.554 -0.243 0.000 2.788 299 T HA -0.009 4.340 4.350 -0.001 0.000 0.268 299 T C 1.843 176.552 174.700 0.016 0.000 1.044 299 T CA 0.673 62.752 62.100 -0.035 0.000 1.139 299 T CB -0.363 68.566 68.868 0.102 0.000 0.867 299 T HN 0.098 nan 8.240 nan 0.000 0.454 300 L N 0.873 122.097 121.223 0.001 0.000 2.044 300 L HA 0.160 4.499 4.340 -0.001 0.000 0.205 300 L C 2.118 179.012 176.870 0.041 0.000 1.075 300 L CA 1.478 56.334 54.840 0.026 0.000 0.747 300 L CB -0.718 41.347 42.059 0.010 0.000 0.903 300 L HN 0.232 nan 8.230 nan 0.000 0.435 301 L N -0.727 120.527 121.223 0.051 0.000 2.083 301 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 301 L C 2.575 179.615 176.870 0.283 0.000 1.083 301 L CA 1.189 56.095 54.840 0.109 0.000 0.752 301 L CB -0.893 41.166 42.059 0.001 0.000 0.899 301 L HN 0.387 nan 8.230 nan 0.000 0.433 302 A N -0.563 122.408 122.820 0.252 0.000 1.897 302 A HA -0.204 4.116 4.320 -0.001 0.000 0.215 302 A C 2.286 179.860 177.584 -0.017 0.000 1.181 302 A CA 1.270 53.284 52.037 -0.039 0.000 0.620 302 A CB -0.391 18.382 19.000 -0.378 0.000 0.821 302 A HN 0.343 nan 8.150 nan 0.000 0.443 303 M N -0.055 119.555 119.600 0.017 0.000 2.229 303 M HA -0.142 4.337 4.480 -0.001 0.000 0.264 303 M C 2.094 178.407 176.300 0.021 0.000 1.063 303 M CA 1.856 57.166 55.300 0.017 0.000 1.114 303 M CB -0.042 32.577 32.600 0.033 0.000 1.387 303 M HN 0.569 nan 8.290 nan 0.000 0.420 304 R N -0.744 119.778 120.500 0.036 0.000 2.297 304 R HA 0.202 4.542 4.340 -0.001 0.000 0.197 304 R C 1.355 177.674 176.300 0.033 0.000 0.943 304 R CA 0.851 56.969 56.100 0.030 0.000 1.038 304 R CB -0.220 30.097 30.300 0.028 0.000 0.957 304 R HN 0.251 nan 8.270 nan 0.000 0.484 305 A N 0.919 123.767 122.820 0.047 0.000 2.195 305 A HA 0.331 4.650 4.320 -0.001 0.000 0.210 305 A C 1.542 179.136 177.584 0.018 0.000 1.165 305 A CA 0.340 52.407 52.037 0.049 0.000 0.806 305 A CB -0.098 18.965 19.000 0.105 0.000 0.847 305 A HN 0.544 nan 8.150 nan 0.000 0.482 306 G N 0.078 108.880 108.800 0.003 0.000 2.160 306 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.244 306 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.244 306 G C 0.095 174.982 174.900 -0.022 0.000 1.022 306 G CA 0.322 45.418 45.100 -0.008 0.000 0.741 306 G HN 1.368 nan 8.290 nan 0.000 0.508 307 I N -1.980 118.562 120.570 -0.047 0.000 2.441 307 I HA 0.739 4.909 4.170 -0.001 0.000 0.295 307 I C -1.948 174.124 176.117 -0.074 0.000 0.994 307 I CA -3.223 58.036 61.300 -0.068 0.000 1.144 307 I CB 2.064 39.995 38.000 -0.116 0.000 1.314 307 I HN -0.092 nan 8.210 nan 0.000 0.445 308 P HA 0.105 nan 4.420 nan 0.000 0.269 308 P C -1.551 175.712 177.300 -0.062 0.000 1.215 308 P CA 0.053 63.125 63.100 -0.047 0.000 0.780 308 P CB 0.780 32.460 31.700 -0.033 0.000 0.898 309 Q N 0.688 120.454 119.800 -0.056 0.000 2.379 309 Q HA 0.676 5.016 4.340 -0.001 0.000 0.278 309 Q C -1.486 174.451 176.000 -0.105 0.000 1.068 309 Q CA -1.109 54.651 55.803 -0.073 0.000 0.816 309 Q CB 1.309 30.033 28.738 -0.023 0.000 1.387 309 Q HN 0.150 nan 8.270 nan 0.000 0.413 310 I N 1.851 122.329 120.570 -0.153 0.000 2.354 310 I HA 0.286 4.455 4.170 -0.001 0.000 0.286 310 I C -0.878 175.071 176.117 -0.281 0.000 1.007 310 I CA -0.515 60.698 61.300 -0.145 0.000 1.167 310 I CB 1.868 39.828 38.000 -0.067 0.000 1.320 310 I HN 0.473 nan 8.210 nan 0.000 0.458 311 V N 7.038 126.811 119.914 -0.235 0.000 2.435 311 V HA 0.446 4.566 4.120 -0.001 0.000 0.290 311 V C 0.013 176.083 176.094 -0.040 0.000 1.030 311 V CA -0.867 61.283 62.300 -0.249 0.000 0.881 311 V CB 1.729 33.449 31.823 -0.172 0.000 0.983 311 V HN 0.326 nan 8.190 nan 0.000 0.445 312 V N 6.177 126.131 119.914 0.067 0.000 2.383 312 V HA 0.422 4.542 4.120 -0.001 0.000 0.275 312 V C 0.435 176.619 176.094 0.149 0.000 1.036 312 V CA -0.699 61.690 62.300 0.149 0.000 0.889 312 V CB 1.322 33.316 31.823 0.285 0.000 0.985 312 V HN 0.978 nan 8.190 nan 0.000 0.459 313 R N 3.426 123.989 120.500 0.105 0.000 2.215 313 R HA 0.712 5.052 4.340 -0.001 0.000 0.337 313 R C 0.053 176.410 176.300 0.096 0.000 1.010 313 R CA -0.643 55.521 56.100 0.106 0.000 0.871 313 R CB 0.339 30.687 30.300 0.079 0.000 1.134 313 R HN 0.602 nan 8.270 nan 0.000 0.477 314 R N 2.426 122.993 120.500 0.111 0.000 2.449 314 R HA 0.469 4.809 4.340 -0.001 0.000 0.296 314 R C 0.077 176.421 176.300 0.073 0.000 1.047 314 R CA 0.572 56.723 56.100 0.085 0.000 1.018 314 R CB -0.412 29.943 30.300 0.092 0.000 0.962 314 R HN 0.752 nan 8.270 nan 0.000 0.428 324 Y N 1.084 121.390 120.300 0.010 0.000 2.036 324 Y HA -0.285 4.265 4.550 -0.001 0.000 0.273 324 Y C 2.199 177.984 175.900 -0.192 0.000 1.135 324 Y CA 3.058 61.077 58.100 -0.136 0.000 1.106 324 Y CB -0.298 37.986 38.460 -0.293 0.000 0.976 324 Y HN 0.618 nan 8.280 nan 0.000 0.483 325 H N -0.411 118.747 119.070 0.146 0.000 2.489 325 H HA 0.014 4.570 4.556 -0.001 0.000 0.293 325 H C 2.125 177.440 175.328 -0.023 0.000 1.066 325 H CA 0.946 57.019 56.048 0.042 0.000 1.305 325 H CB -0.463 29.396 29.762 0.161 0.000 1.386 325 H HN 0.468 nan 8.280 nan 0.000 0.551 326 A N 0.971 123.842 122.820 0.084 0.000 1.841 326 A HA -0.157 4.163 4.320 -0.001 0.000 0.214 326 A C 1.783 179.344 177.584 -0.038 0.000 1.195 326 A CA 1.697 53.751 52.037 0.027 0.000 0.611 326 A CB -0.269 18.757 19.000 0.043 0.000 0.835 326 A HN 0.315 nan 8.150 nan 0.000 0.443 327 D N -0.810 119.545 120.400 -0.075 0.000 2.219 327 D HA -0.116 4.523 4.640 -0.001 0.000 0.205 327 D C 2.007 178.210 176.300 -0.161 0.000 0.970 327 D CA 1.154 55.091 54.000 -0.105 0.000 0.851 327 D CB -0.271 40.466 40.800 -0.105 0.000 0.943 327 D HN 0.280 nan 8.370 nan 0.000 0.488 328 R N 1.014 121.361 120.500 -0.255 0.000 2.090 328 R HA -0.035 4.305 4.340 -0.001 0.000 0.228 328 R C 1.998 178.219 176.300 -0.131 0.000 1.110 328 R CA 0.623 56.558 56.100 -0.276 0.000 0.973 328 R CB -0.729 29.296 30.300 -0.458 0.000 0.869 328 R HN 0.009 nan 8.270 nan 0.000 0.440 329 V N 0.543 120.410 119.914 -0.079 0.000 2.515 329 V HA -0.125 3.995 4.120 -0.001 0.000 0.250 329 V C 2.208 178.276 176.094 -0.044 0.000 1.058 329 V CA 1.760 64.037 62.300 -0.038 0.000 1.064 329 V CB -0.634 31.180 31.823 -0.015 0.000 0.675 329 V HN 0.477 nan 8.190 nan 0.000 0.461 330 A N -0.603 122.185 122.820 -0.053 0.000 1.930 330 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 330 A C 2.151 179.707 177.584 -0.047 0.000 1.176 330 A CA 1.291 53.302 52.037 -0.044 0.000 0.632 330 A CB -0.349 18.626 19.000 -0.042 0.000 0.819 330 A HN 0.547 nan 8.150 nan 0.000 0.445 331 E N -0.199 119.963 120.200 -0.064 0.000 2.110 331 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 331 E C 1.647 178.218 176.600 -0.048 0.000 0.988 331 E CA 1.053 57.416 56.400 -0.062 0.000 0.804 331 E CB -0.172 29.475 29.700 -0.089 0.000 0.745 331 E HN 0.617 nan 8.360 nan 0.000 0.458 332 L N -1.103 120.092 121.223 -0.047 0.000 2.418 332 L HA 0.128 4.467 4.340 -0.001 0.000 0.218 332 L C 1.395 178.250 176.870 -0.026 0.000 1.125 332 L CA 0.401 55.221 54.840 -0.033 0.000 0.835 332 L CB 0.067 42.109 42.059 -0.029 0.000 0.953 332 L HN 0.311 nan 8.230 nan 0.000 0.454 333 G N -0.115 108.668 108.800 -0.027 0.000 2.147 333 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.244 333 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.244 333 G C 0.616 175.504 174.900 -0.021 0.000 1.005 333 G CA 0.337 45.423 45.100 -0.023 0.000 0.713 333 G HN 0.172 nan 8.290 nan 0.000 0.515 334 V N -0.568 119.333 119.914 -0.022 0.000 3.608 334 V HA 0.569 4.688 4.120 -0.001 0.000 0.269 334 V C 1.598 177.677 176.094 -0.024 0.000 1.245 334 V CA 1.982 64.270 62.300 -0.020 0.000 1.138 334 V CB 0.360 32.174 31.823 -0.015 0.000 0.841 334 V HN 1.318 nan 8.190 nan 0.000 0.451 335 G N -1.116 107.667 108.800 -0.027 0.000 2.490 335 G HA2 0.502 4.462 3.960 -0.001 0.000 0.308 335 G HA3 0.502 4.462 3.960 -0.001 0.000 0.308 335 G C -1.948 172.931 174.900 -0.034 0.000 1.286 335 G CA -0.253 44.826 45.100 -0.034 0.000 0.825 335 G HN -0.167 nan 8.290 nan 0.000 0.479 336 V N 0.453 120.344 119.914 -0.039 0.000 2.588 336 V HA 0.729 4.848 4.120 -0.001 0.000 0.304 336 V C 0.299 176.372 176.094 -0.036 0.000 1.042 336 V CA -0.392 61.889 62.300 -0.032 0.000 0.877 336 V CB 1.369 33.178 31.823 -0.023 0.000 0.996 336 V HN 1.395 nan 8.190 nan 0.000 0.425 337 A N 4.779 127.584 122.820 -0.026 0.000 2.289 337 A HA 0.802 5.122 4.320 -0.001 0.000 0.298 337 A C -0.583 176.999 177.584 -0.002 0.000 1.208 337 A CA -0.358 51.669 52.037 -0.017 0.000 0.845 337 A CB 0.815 19.806 19.000 -0.015 0.000 1.125 337 A HN 0.693 nan 8.150 nan 0.000 0.517 338 V N 3.398 123.317 119.914 0.010 0.000 2.680 338 V HA 0.452 4.572 4.120 -0.001 0.000 0.309 338 V C -0.375 175.739 176.094 0.034 0.000 1.052 338 V CA -0.639 61.673 62.300 0.021 0.000 0.908 338 V CB 1.908 33.747 31.823 0.027 0.000 1.001 338 V HN 1.089 nan 8.190 nan 0.000 0.431 339 D N 1.584 122.002 120.400 0.030 0.000 2.588 339 D HA 0.752 5.392 4.640 -0.001 0.000 0.268 339 D C 0.285 176.604 176.300 0.032 0.000 1.176 339 D CA -0.003 54.018 54.000 0.035 0.000 1.080 339 D CB 1.058 41.876 40.800 0.029 0.000 1.186 339 D HN 1.223 nan 8.370 nan 0.000 0.619 340 G N -1.074 107.745 108.800 0.031 0.000 2.764 340 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.686 340 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.686 340 G C -2.086 172.826 174.900 0.019 0.000 1.258 340 G CA -0.413 44.699 45.100 0.021 0.000 0.846 340 G HN 0.447 nan 8.290 nan 0.000 0.596 341 P HA 0.001 nan 4.420 nan 0.000 0.215 341 P C 0.876 178.153 177.300 -0.038 0.000 1.157 341 P CA 1.441 64.539 63.100 -0.004 0.000 0.874 341 P CB 0.221 31.916 31.700 -0.009 0.000 0.790 342 V N 1.566 121.457 119.914 -0.038 0.000 2.305 342 V HA 0.264 4.384 4.120 -0.001 0.000 0.275 342 V C -1.986 174.089 176.094 -0.031 0.000 1.020 342 V CA -1.758 60.506 62.300 -0.059 0.000 0.811 342 V CB 0.958 32.744 31.823 -0.062 0.000 1.031 342 V HN 0.066 nan 8.190 nan 0.000 0.439 343 P HA 0.221 nan 4.420 nan 0.000 0.273 343 P C 0.137 177.434 177.300 -0.006 0.000 1.250 343 P CA 0.016 63.115 63.100 -0.001 0.000 0.793 343 P CB 0.723 32.435 31.700 0.019 0.000 1.011 344 T N -2.022 112.532 114.554 0.000 0.000 2.849 344 T HA 0.219 4.569 4.350 -0.001 0.000 0.284 344 T C 1.483 176.186 174.700 0.004 0.000 1.004 344 T CA -0.564 61.536 62.100 -0.001 0.000 1.021 344 T CB 0.081 68.949 68.868 0.001 0.000 1.013 344 T HN 0.109 nan 8.240 nan 0.000 0.527 345 I N 0.982 121.553 120.570 0.002 0.000 2.361 345 I HA -0.008 4.161 4.170 -0.001 0.000 0.251 345 I C 2.017 178.139 176.117 0.009 0.000 1.133 345 I CA 1.175 62.479 61.300 0.007 0.000 1.413 345 I CB -1.004 36.999 38.000 0.005 0.000 1.073 345 I HN 0.695 nan 8.210 nan 0.000 0.424 346 D N 0.140 120.543 120.400 0.006 0.000 2.097 346 D HA -0.136 4.504 4.640 -0.001 0.000 0.195 346 D C 2.356 178.661 176.300 0.008 0.000 0.989 346 D CA 1.572 55.576 54.000 0.006 0.000 0.827 346 D CB -0.114 40.688 40.800 0.004 0.000 0.966 346 D HN 0.162 nan 8.370 nan 0.000 0.456 347 S N 0.066 115.771 115.700 0.008 0.000 2.351 347 S HA -0.129 4.341 4.470 -0.001 0.000 0.220 347 S C 2.064 176.672 174.600 0.014 0.000 1.035 347 S CA 0.693 58.899 58.200 0.010 0.000 1.031 347 S CB -0.457 62.750 63.200 0.012 0.000 0.928 347 S HN 0.214 nan 8.310 nan 0.000 0.433 348 L N 0.855 122.090 121.223 0.020 0.000 2.079 348 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 348 L C 2.675 179.558 176.870 0.022 0.000 1.081 348 L CA 1.135 55.992 54.840 0.028 0.000 0.752 348 L CB -0.455 41.628 42.059 0.041 0.000 0.896 348 L HN 0.309 nan 8.230 nan 0.000 0.433 349 S N -0.961 114.749 115.700 0.017 0.000 2.406 349 S HA -0.065 4.405 4.470 -0.001 0.000 0.228 349 S C 2.043 176.649 174.600 0.010 0.000 1.020 349 S CA 1.013 59.222 58.200 0.014 0.000 0.965 349 S CB 0.037 63.244 63.200 0.012 0.000 0.798 349 S HN 0.465 nan 8.310 nan 0.000 0.488 350 A N 1.223 124.047 122.820 0.008 0.000 1.897 350 A HA 0.257 4.576 4.320 -0.001 0.000 0.215 350 A C 2.371 179.956 177.584 0.003 0.000 1.181 350 A CA 1.603 53.643 52.037 0.004 0.000 0.620 350 A CB -1.210 17.793 19.000 0.003 0.000 0.821 350 A HN 0.600 nan 8.150 nan 0.000 0.443 351 A N -0.413 122.409 122.820 0.004 0.000 1.902 351 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 351 A C 2.124 179.706 177.584 -0.002 0.000 1.181 351 A CA 1.785 53.822 52.037 -0.001 0.000 0.623 351 A CB -0.651 18.350 19.000 0.001 0.000 0.818 351 A HN 0.666 nan 8.150 nan 0.000 0.443 352 L N -0.142 121.083 121.223 0.004 0.000 2.131 352 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 352 L C 1.563 178.434 176.870 0.002 0.000 1.092 352 L CA 2.285 57.128 54.840 0.004 0.000 0.759 352 L CB -0.563 41.504 42.059 0.013 0.000 0.903 352 L HN 0.309 nan 8.230 nan 0.000 0.435 353 D N -1.167 119.234 120.400 0.003 0.000 2.117 353 D HA -0.165 4.475 4.640 -0.001 0.000 0.198 353 D C 2.218 178.517 176.300 -0.002 0.000 0.982 353 D CA 1.896 55.896 54.000 0.001 0.000 0.828 353 D CB -0.185 40.616 40.800 0.002 0.000 0.967 353 D HN 0.537 nan 8.370 nan 0.000 0.464 354 T N -1.477 113.074 114.554 -0.004 0.000 2.978 354 T HA 0.144 4.493 4.350 -0.001 0.000 0.262 354 T C 2.014 176.708 174.700 -0.009 0.000 1.063 354 T CA 1.127 63.223 62.100 -0.006 0.000 1.140 354 T CB -0.059 68.805 68.868 -0.007 0.000 0.886 354 T HN 0.022 nan 8.240 nan 0.000 0.470 355 A N 1.582 124.395 122.820 -0.010 0.000 1.930 355 A HA 0.277 4.596 4.320 -0.001 0.000 0.217 355 A C 2.292 179.868 177.584 -0.013 0.000 1.175 355 A CA 1.056 53.084 52.037 -0.015 0.000 0.627 355 A CB -0.789 18.200 19.000 -0.019 0.000 0.815 355 A HN 0.568 nan 8.150 nan 0.000 0.443 356 L N -0.270 120.949 121.223 -0.008 0.000 2.610 356 L HA 0.120 4.459 4.340 -0.001 0.000 0.232 356 L C 1.269 178.136 176.870 -0.006 0.000 1.149 356 L CA -0.095 54.742 54.840 -0.006 0.000 0.872 356 L CB -0.454 41.604 42.059 -0.001 0.000 0.992 356 L HN 0.373 nan 8.230 nan 0.000 0.447 357 A N 1.014 123.830 122.820 -0.007 0.000 2.454 357 A HA 0.245 4.564 4.320 -0.001 0.000 0.260 357 A C -1.117 176.462 177.584 -0.008 0.000 1.106 357 A CA -1.159 50.874 52.037 -0.007 0.000 0.780 357 A CB -0.037 18.959 19.000 -0.007 0.000 1.044 357 A HN -0.008 nan 8.150 nan 0.000 0.498 358 P HA -0.230 nan 4.420 nan 0.000 0.218 358 P C 0.762 178.057 177.300 -0.008 0.000 1.146 358 P CA 1.593 64.689 63.100 -0.007 0.000 0.820 358 P CB 0.221 31.917 31.700 -0.006 0.000 0.778 359 E N -0.377 119.818 120.200 -0.008 0.000 2.106 359 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 359 E C 2.202 178.796 176.600 -0.010 0.000 0.984 359 E CA 0.783 57.178 56.400 -0.008 0.000 0.806 359 E CB -0.387 29.308 29.700 -0.008 0.000 0.750 359 E HN 0.313 nan 8.360 nan 0.000 0.458 360 I N 0.630 121.194 120.570 -0.011 0.000 2.716 360 I HA -0.129 4.040 4.170 -0.001 0.000 0.259 360 I C 2.203 178.311 176.117 -0.014 0.000 1.172 360 I CA 0.546 61.838 61.300 -0.013 0.000 1.478 360 I CB -0.040 37.952 38.000 -0.014 0.000 1.104 360 I HN -0.005 nan 8.210 nan 0.000 0.439 361 R N 0.892 121.385 120.500 -0.013 0.000 2.115 361 R HA -0.019 4.321 4.340 -0.001 0.000 0.226 361 R C 2.419 178.711 176.300 -0.012 0.000 1.100 361 R CA 1.219 57.310 56.100 -0.014 0.000 0.980 361 R CB -0.344 29.949 30.300 -0.012 0.000 0.875 361 R HN 0.287 nan 8.270 nan 0.000 0.445 362 A N 1.436 124.250 122.820 -0.010 0.000 1.969 362 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 362 A C 2.016 179.595 177.584 -0.009 0.000 1.169 362 A CA 1.086 53.118 52.037 -0.009 0.000 0.635 362 A CB -0.240 18.755 19.000 -0.008 0.000 0.810 362 A HN 0.208 nan 8.150 nan 0.000 0.445 363 R N -0.599 119.894 120.500 -0.010 0.000 2.119 363 R HA 0.081 4.421 4.340 -0.001 0.000 0.222 363 R C 2.409 178.703 176.300 -0.011 0.000 1.088 363 R CA 0.932 57.026 56.100 -0.011 0.000 0.984 363 R CB -0.353 29.939 30.300 -0.012 0.000 0.884 363 R HN 0.482 nan 8.270 nan 0.000 0.447 364 A N 0.604 123.416 122.820 -0.013 0.000 1.898 364 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 364 A C 2.098 179.676 177.584 -0.010 0.000 1.181 364 A CA 1.701 53.729 52.037 -0.014 0.000 0.620 364 A CB -0.683 18.305 19.000 -0.020 0.000 0.819 364 A HN 0.206 nan 8.150 nan 0.000 0.442 365 T N -0.305 114.244 114.554 -0.009 0.000 2.777 365 T HA -0.106 4.244 4.350 -0.001 0.000 0.266 365 T C 2.019 176.717 174.700 -0.004 0.000 1.040 365 T CA 1.902 63.998 62.100 -0.006 0.000 1.141 365 T CB -0.490 68.374 68.868 -0.006 0.000 0.868 365 T HN 0.532 nan 8.240 nan 0.000 0.444 366 T N 1.846 116.396 114.554 -0.005 0.000 2.708 366 T HA -0.072 4.277 4.350 -0.001 0.000 0.266 366 T C 2.180 176.878 174.700 -0.004 0.000 1.037 366 T CA 0.964 63.061 62.100 -0.004 0.000 1.146 366 T CB -0.506 68.359 68.868 -0.006 0.000 0.865 366 T HN 0.137 nan 8.240 nan 0.000 0.435 367 V N 1.695 121.606 119.914 -0.004 0.000 2.407 367 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 367 V C 2.864 178.958 176.094 0.001 0.000 1.055 367 V CA 1.583 63.882 62.300 -0.003 0.000 1.049 367 V CB -1.198 30.622 31.823 -0.004 0.000 0.662 367 V HN 0.522 nan 8.190 nan 0.000 0.455 368 A N -0.070 122.750 122.820 0.001 0.000 1.908 368 A HA -0.272 4.048 4.320 -0.001 0.000 0.218 368 A C 1.864 179.450 177.584 0.004 0.000 1.181 368 A CA 2.030 54.070 52.037 0.005 0.000 0.627 368 A CB -0.665 18.338 19.000 0.004 0.000 0.818 368 A HN 0.526 nan 8.150 nan 0.000 0.445 369 D N -0.673 119.728 120.400 0.002 0.000 2.403 369 D HA -0.068 4.572 4.640 -0.001 0.000 0.227 369 D C 1.689 177.990 176.300 0.001 0.000 0.995 369 D CA 1.599 55.599 54.000 0.001 0.000 0.928 369 D CB -0.160 40.639 40.800 -0.000 0.000 0.887 369 D HN 0.702 nan 8.370 nan 0.000 0.529 370 T N -3.138 111.417 114.554 0.002 0.000 2.975 370 T HA 0.201 4.550 4.350 -0.001 0.000 0.257 370 T C 0.736 175.438 174.700 0.003 0.000 1.003 370 T CA -0.414 61.687 62.100 0.002 0.000 0.932 370 T CB 0.400 69.269 68.868 0.001 0.000 1.087 370 T HN -0.193 nan 8.240 nan 0.000 0.512 371 I N 2.617 123.191 120.570 0.006 0.000 2.638 371 I HA 0.348 4.518 4.170 -0.001 0.000 0.286 371 I C 0.734 176.855 176.117 0.007 0.000 1.088 371 I CA -0.343 60.962 61.300 0.008 0.000 1.397 371 I CB 0.620 38.627 38.000 0.013 0.000 1.414 371 I HN 0.040 nan 8.210 nan 0.000 0.566 372 R N 3.799 124.303 120.500 0.006 0.000 2.643 372 R HA 0.743 5.083 4.340 -0.001 0.000 0.272 372 R C -0.224 176.082 176.300 0.011 0.000 0.995 372 R CA -0.612 55.491 56.100 0.006 0.000 1.032 372 R CB 1.547 31.848 30.300 0.002 0.000 1.126 372 R HN 0.703 nan 8.270 nan 0.000 0.505 373 A N 0.829 123.656 122.820 0.011 0.000 2.624 373 A HA 0.075 4.395 4.320 -0.001 0.000 0.287 373 A C -0.008 177.587 177.584 0.019 0.000 1.087 373 A CA -0.289 51.758 52.037 0.016 0.000 0.964 373 A CB 0.169 19.175 19.000 0.010 0.000 1.231 373 A HN 0.660 nan 8.150 nan 0.000 0.551 374 D N -1.156 119.254 120.400 0.017 0.000 2.402 374 D HA 0.151 4.790 4.640 -0.001 0.000 0.216 374 D C 1.343 177.658 176.300 0.024 0.000 1.128 374 D CA 0.544 54.551 54.000 0.012 0.000 0.833 374 D CB -0.615 40.185 40.800 0.001 0.000 0.971 374 D HN 0.126 nan 8.370 nan 0.000 0.503 375 G N 1.603 110.447 108.800 0.072 0.000 2.556 375 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.220 375 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.220 375 G C 1.630 176.635 174.900 0.175 0.000 1.156 375 G CA 2.281 47.480 45.100 0.166 0.000 0.766 375 G HN 0.457 nan 8.290 nan 0.000 0.583 376 T N -1.857 112.723 114.554 0.043 0.000 2.867 376 T HA -0.086 4.263 4.350 -0.001 0.000 0.268 376 T C 2.297 176.852 174.700 -0.242 0.000 1.057 376 T CA 2.026 63.936 62.100 -0.317 0.000 1.136 376 T CB -0.640 68.050 68.868 -0.295 0.000 0.874 376 T HN 0.206 nan 8.240 nan 0.000 0.466 377 T N 1.630 116.116 114.554 -0.112 0.000 2.857 377 T HA 0.043 4.393 4.350 -0.001 0.000 0.266 377 T C 2.142 176.800 174.700 -0.071 0.000 1.048 377 T CA 0.826 62.881 62.100 -0.074 0.000 1.139 377 T CB -0.447 68.406 68.868 -0.025 0.000 0.874 377 T HN 0.231 nan 8.240 nan 0.000 0.455 378 V N 1.746 121.618 119.914 -0.070 0.000 2.343 378 V HA -0.143 3.977 4.120 -0.001 0.000 0.247 378 V C 2.866 178.858 176.094 -0.170 0.000 1.051 378 V CA 1.669 63.919 62.300 -0.084 0.000 1.036 378 V CB -1.109 30.670 31.823 -0.074 0.000 0.654 378 V HN 0.511 nan 8.190 nan 0.000 0.451 379 A N -0.019 122.665 122.820 -0.226 0.000 1.902 379 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 379 A C 2.442 179.850 177.584 -0.294 0.000 1.181 379 A CA 2.008 53.809 52.037 -0.393 0.000 0.623 379 A CB -0.785 17.973 19.000 -0.404 0.000 0.818 379 A HN 0.553 nan 8.150 nan 0.000 0.443 380 A N -0.596 122.050 122.820 -0.290 0.000 1.883 380 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 380 A C 2.238 179.632 177.584 -0.317 0.000 1.186 380 A CA 1.962 53.774 52.037 -0.375 0.000 0.624 380 A CB -0.738 18.081 19.000 -0.302 0.000 0.822 380 A HN 0.675 nan 8.150 nan 0.000 0.444 381 Q N -0.437 119.361 119.800 -0.004 0.000 2.096 381 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 381 Q C 2.027 178.110 176.000 0.138 0.000 0.982 381 Q CA 1.658 57.592 55.803 0.218 0.000 0.850 381 Q CB -0.259 28.557 28.738 0.130 0.000 0.901 381 Q HN 0.687 nan 8.270 nan 0.000 0.422 382 L N 0.256 121.499 121.223 0.034 0.000 2.046 382 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 382 L C 2.477 179.460 176.870 0.188 0.000 1.077 382 L CA 0.945 55.857 54.840 0.120 0.000 0.747 382 L CB -0.332 41.773 42.059 0.077 0.000 0.896 382 L HN 0.351 nan 8.230 nan 0.000 0.432 383 L N -1.656 119.626 121.223 0.099 0.000 2.046 383 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 383 L C 2.544 179.411 176.870 -0.005 0.000 1.077 383 L CA 1.175 56.025 54.840 0.017 0.000 0.747 383 L CB -0.478 41.486 42.059 -0.159 0.000 0.896 383 L HN 0.108 nan 8.230 nan 0.000 0.432 384 F N 0.792 120.772 119.950 0.050 0.000 2.046 384 F HA -0.259 4.267 4.527 -0.001 0.000 0.297 384 F C 2.406 178.228 175.800 0.036 0.000 1.123 384 F CA 1.480 59.497 58.000 0.028 0.000 1.199 384 F CB -0.899 38.109 39.000 0.012 0.000 0.972 384 F HN 0.141 nan 8.300 nan 0.000 0.474 385 D N -0.052 120.504 120.400 0.261 0.000 2.182 385 D HA -0.141 4.498 4.640 -0.001 0.000 0.201 385 D C 2.268 178.643 176.300 0.125 0.000 0.986 385 D CA 1.310 55.405 54.000 0.160 0.000 0.847 385 D CB -0.681 40.200 40.800 0.133 0.000 0.942 385 D HN 0.252 nan 8.370 nan 0.000 0.467 386 A N 0.510 123.406 122.820 0.127 0.000 1.873 386 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 386 A C 2.519 180.147 177.584 0.073 0.000 1.186 386 A CA 1.179 53.271 52.037 0.091 0.000 0.616 386 A CB -0.754 18.292 19.000 0.077 0.000 0.823 386 A HN 0.143 nan 8.150 nan 0.000 0.442 387 V N -0.492 119.472 119.914 0.084 0.000 2.261 387 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 387 V C 2.807 178.946 176.094 0.074 0.000 1.047 387 V CA 2.361 64.706 62.300 0.075 0.000 1.015 387 V CB -0.892 30.988 31.823 0.095 0.000 0.642 387 V HN 0.652 nan 8.190 nan 0.000 0.446 388 S N -0.642 115.112 115.700 0.090 0.000 2.374 388 S HA -0.172 4.298 4.470 -0.001 0.000 0.227 388 S C 1.803 176.435 174.600 0.053 0.000 1.037 388 S CA 1.916 60.157 58.200 0.068 0.000 1.024 388 S CB -0.252 62.990 63.200 0.070 0.000 0.861 388 S HN 0.505 nan 8.310 nan 0.000 0.456 389 L N 0.054 121.310 121.223 0.056 0.000 2.354 389 L HA 0.260 4.599 4.340 -0.001 0.000 0.212 389 L C 0.586 177.481 176.870 0.041 0.000 1.091 389 L CA 0.466 55.334 54.840 0.046 0.000 0.828 389 L CB -0.097 41.992 42.059 0.049 0.000 0.973 389 L HN 0.207 nan 8.230 nan 0.000 0.461 390 E N 1.750 121.977 120.200 0.044 0.000 2.136 390 E HA 0.406 4.755 4.350 -0.001 0.000 0.246 390 E C 0.082 176.703 176.600 0.035 0.000 1.017 390 E CA 0.018 56.441 56.400 0.037 0.000 0.883 390 E CB 0.500 30.221 29.700 0.035 0.000 1.199 390 E HN 0.221 nan 8.360 nan 0.000 0.447 391 K N 0.000 120.419 120.400 0.032 0.000 2.780 391 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 391 K CA 0.000 56.305 56.287 0.030 0.000 0.838 391 K CB 0.000 32.518 32.500 0.029 0.000 1.064 391 K HN 0.000 nan 8.250 nan 0.000 0.543