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 3n2c_1_P DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.689 174.700 -0.019 0.000 1.109 2 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 2 T CB 0.000 68.859 68.868 -0.014 0.000 0.612 3 I N 2.519 123.076 120.570 -0.022 0.000 2.512 3 I HA 0.657 4.827 4.170 -0.000 0.000 0.287 3 I C -1.720 174.378 176.117 -0.033 0.000 1.069 3 I CA -0.208 61.077 61.300 -0.025 0.000 1.056 3 I CB 1.979 39.965 38.000 -0.023 0.000 1.229 3 I HN 0.211 nan 8.210 nan 0.000 0.429 4 T N 6.100 120.633 114.554 -0.035 0.000 2.863 4 T HA 0.604 4.953 4.350 -0.000 0.000 0.285 4 T C -0.821 173.852 174.700 -0.045 0.000 1.009 4 T CA -0.594 61.478 62.100 -0.046 0.000 0.989 4 T CB 2.080 70.917 68.868 -0.050 0.000 1.004 4 T HN 0.243 nan 8.240 nan 0.000 0.455 5 V N 3.892 123.772 119.914 -0.057 0.000 2.483 5 V HA 0.395 4.515 4.120 -0.000 0.000 0.297 5 V C -0.373 175.687 176.094 -0.057 0.000 1.027 5 V CA -0.900 61.367 62.300 -0.054 0.000 0.855 5 V CB 1.516 33.292 31.823 -0.078 0.000 0.995 5 V HN 0.749 nan 8.190 nan 0.000 0.424 6 L N 6.124 127.331 121.223 -0.027 0.000 2.278 6 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 6 L C 0.298 177.206 176.870 0.062 0.000 1.072 6 L CA -0.226 54.604 54.840 -0.017 0.000 0.819 6 L CB 0.804 42.854 42.059 -0.014 0.000 1.176 6 L HN 0.757 nan 8.230 nan 0.000 0.435 7 Q N 1.912 121.748 119.800 0.060 0.000 2.312 7 Q HA 0.600 4.940 4.340 -0.000 0.000 0.263 7 Q C 0.570 176.683 176.000 0.189 0.000 0.995 7 Q CA -0.302 55.619 55.803 0.198 0.000 0.853 7 Q CB 2.155 30.905 28.738 0.020 0.000 1.300 7 Q HN 0.784 nan 8.270 nan 0.000 0.448 8 G N 1.686 110.645 108.800 0.266 0.000 2.159 8 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 8 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 8 G C 0.414 175.282 174.900 -0.054 0.000 0.977 8 G CA -0.252 44.899 45.100 0.086 0.000 0.652 8 G HN 1.036 nan 8.290 nan 0.000 0.531 9 G N -0.496 108.295 108.800 -0.016 0.000 2.667 9 G HA2 0.432 4.392 3.960 -0.000 0.000 0.250 9 G HA3 0.432 4.392 3.960 -0.000 0.000 0.250 9 G C 0.046 174.897 174.900 -0.080 0.000 1.212 9 G CA -0.079 44.996 45.100 -0.042 0.000 0.874 9 G HN 0.488 nan 8.290 nan 0.000 0.561 10 N N -0.181 118.474 118.700 -0.075 0.000 3.091 10 N HA 0.293 5.033 4.740 -0.000 0.000 0.255 10 N C -0.456 175.015 175.510 -0.064 0.000 1.204 10 N CA -0.539 52.464 53.050 -0.077 0.000 0.990 10 N CB 1.677 40.117 38.487 -0.079 0.000 1.260 10 N HN 0.202 nan 8.380 nan 0.000 0.502 11 V N 2.117 121.991 119.914 -0.066 0.000 2.493 11 V HA -0.061 4.059 4.120 -0.000 0.000 0.292 11 V C 0.634 176.674 176.094 -0.090 0.000 1.016 11 V CA 0.138 62.398 62.300 -0.066 0.000 1.097 11 V CB 0.395 32.185 31.823 -0.055 0.000 0.947 11 V HN 0.592 nan 8.190 nan 0.000 0.479 12 L N 5.052 126.242 121.223 -0.055 0.000 2.261 12 L HA 0.341 4.681 4.340 -0.000 0.000 0.289 12 L C 0.219 177.066 176.870 -0.037 0.000 1.059 12 L CA -0.269 54.544 54.840 -0.045 0.000 0.816 12 L CB 0.923 42.970 42.059 -0.021 0.000 1.191 12 L HN 0.659 nan 8.230 nan 0.000 0.431 13 D N 4.524 124.895 120.400 -0.049 0.000 2.325 13 D HA 0.129 4.769 4.640 -0.000 0.000 0.251 13 D C 0.601 176.895 176.300 -0.011 0.000 1.196 13 D CA -0.001 53.980 54.000 -0.032 0.000 0.866 13 D CB 1.566 42.338 40.800 -0.046 0.000 1.101 13 D HN 0.477 nan 8.370 nan 0.000 0.476 14 L N 3.314 124.540 121.223 0.005 0.000 2.463 14 L HA 0.033 4.372 4.340 -0.000 0.000 0.219 14 L C 2.298 179.183 176.870 0.024 0.000 1.088 14 L CA 0.091 54.943 54.840 0.020 0.000 0.849 14 L CB 0.139 42.219 42.059 0.035 0.000 1.012 14 L HN 0.462 nan 8.230 nan 0.000 0.468 15 E N 0.314 120.526 120.200 0.020 0.000 2.158 15 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 15 E C 1.881 178.491 176.600 0.016 0.000 0.982 15 E CA 0.818 57.231 56.400 0.022 0.000 0.823 15 E CB -0.032 29.680 29.700 0.021 0.000 0.766 15 E HN 0.382 nan 8.360 nan 0.000 0.468 16 R N 0.121 120.626 120.500 0.008 0.000 2.210 16 R HA 0.113 4.453 4.340 -0.000 0.000 0.203 16 R C 0.895 177.197 176.300 0.004 0.000 1.010 16 R CA 0.708 56.810 56.100 0.004 0.000 1.008 16 R CB 0.226 30.524 30.300 -0.004 0.000 0.923 16 R HN 0.358 nan 8.270 nan 0.000 0.469 17 G N 1.023 109.826 108.800 0.005 0.000 2.256 17 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.272 17 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.272 17 G C -0.176 174.722 174.900 -0.004 0.000 1.076 17 G CA 0.309 45.412 45.100 0.006 0.000 0.882 17 G HN 0.285 nan 8.290 nan 0.000 0.497 18 V N -3.077 116.828 119.914 -0.016 0.000 3.078 18 V HA 0.841 4.961 4.120 -0.000 0.000 0.311 18 V C 0.519 176.585 176.094 -0.046 0.000 1.138 18 V CA -1.753 60.530 62.300 -0.027 0.000 1.007 18 V CB 2.194 33.998 31.823 -0.030 0.000 1.045 18 V HN 0.290 nan 8.190 nan 0.000 0.432 19 L N 2.622 123.815 121.223 -0.049 0.000 2.375 19 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 19 L C -0.539 176.260 176.870 -0.118 0.000 1.107 19 L CA -0.519 54.278 54.840 -0.072 0.000 0.806 19 L CB 1.372 43.402 42.059 -0.049 0.000 1.146 19 L HN 0.593 nan 8.230 nan 0.000 0.447 20 L N 3.915 125.016 121.223 -0.203 0.000 2.435 20 L HA 0.253 4.593 4.340 -0.000 0.000 0.253 20 L C 0.171 176.909 176.870 -0.219 0.000 1.087 20 L CA -0.657 53.935 54.840 -0.413 0.000 0.950 20 L CB 0.637 42.151 42.059 -0.907 0.000 1.304 20 L HN 0.606 nan 8.230 nan 0.000 0.453 21 E N 2.457 122.661 120.200 0.007 0.000 2.413 21 E HA -0.031 4.319 4.350 -0.000 0.000 0.263 21 E C 0.004 176.770 176.600 0.276 0.000 1.015 21 E CA -0.247 56.201 56.400 0.080 0.000 0.916 21 E CB 0.325 30.084 29.700 0.097 0.000 0.947 21 E HN 0.544 nan 8.360 nan 0.000 0.440 22 H N 0.027 119.135 119.070 0.063 0.000 2.899 22 H HA -0.153 4.403 4.556 -0.000 0.000 0.282 22 H C -0.656 174.548 175.328 -0.207 0.000 1.198 22 H CA 1.100 57.119 56.048 -0.047 0.000 1.140 22 H CB -1.991 27.734 29.762 -0.062 0.000 1.317 22 H HN 0.567 nan 8.280 nan 0.000 0.375 23 H N 0.522 119.478 119.070 -0.190 0.000 2.467 23 H HA 0.323 4.879 4.556 -0.000 0.000 0.331 23 H C 0.835 176.010 175.328 -0.254 0.000 1.120 23 H CA -0.203 55.698 56.048 -0.246 0.000 1.270 23 H CB 0.737 30.438 29.762 -0.101 0.000 1.466 23 H HN 0.225 nan 8.280 nan 0.000 0.504 24 H N 1.177 120.296 119.070 0.081 0.000 2.483 24 H HA 0.370 4.926 4.556 -0.000 0.000 0.338 24 H C -0.435 174.918 175.328 0.041 0.000 1.152 24 H CA -0.704 55.367 56.048 0.038 0.000 1.264 24 H CB 1.244 31.009 29.762 0.006 0.000 1.510 24 H HN 0.244 nan 8.280 nan 0.000 0.530 25 V N 2.770 122.774 119.914 0.150 0.000 2.407 25 V HA 0.149 4.269 4.120 -0.000 0.000 0.291 25 V C 0.058 176.181 176.094 0.048 0.000 1.018 25 V CA -0.791 61.556 62.300 0.078 0.000 0.842 25 V CB 1.583 33.430 31.823 0.041 0.000 0.996 25 V HN 0.414 nan 8.190 nan 0.000 0.426 26 V N 6.291 126.228 119.914 0.039 0.000 2.333 26 V HA 0.437 4.557 4.120 -0.000 0.000 0.274 26 V C -0.096 176.000 176.094 0.005 0.000 1.028 26 V CA -0.351 61.957 62.300 0.013 0.000 0.851 26 V CB 1.326 33.156 31.823 0.012 0.000 1.000 26 V HN 0.587 nan 8.190 nan 0.000 0.456 27 I N 4.183 124.749 120.570 -0.007 0.000 2.339 27 I HA 0.458 4.628 4.170 -0.000 0.000 0.290 27 I C -0.374 175.736 176.117 -0.012 0.000 0.994 27 I CA -0.410 60.884 61.300 -0.010 0.000 1.191 27 I CB 1.507 39.497 38.000 -0.017 0.000 1.343 27 I HN 0.619 nan 8.210 nan 0.000 0.458 28 D N 4.623 125.018 120.400 -0.008 0.000 2.549 28 D HA 0.591 5.231 4.640 -0.000 0.000 0.251 28 D C 0.550 176.846 176.300 -0.007 0.000 1.153 28 D CA 0.477 54.472 54.000 -0.009 0.000 0.861 28 D CB 1.573 42.369 40.800 -0.007 0.000 1.207 28 D HN 0.851 nan 8.370 nan 0.000 0.543 29 G N 3.984 112.778 108.800 -0.010 0.000 2.531 29 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.274 29 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.274 29 G C 0.660 175.554 174.900 -0.009 0.000 1.159 29 G CA 0.292 45.387 45.100 -0.009 0.000 0.969 29 G HN 0.571 nan 8.290 nan 0.000 0.554 30 E N 1.260 121.457 120.200 -0.006 0.000 2.479 30 E HA 0.154 4.504 4.350 -0.000 0.000 0.193 30 E C 1.131 177.730 176.600 -0.001 0.000 1.049 30 E CA 0.147 56.543 56.400 -0.005 0.000 0.870 30 E CB 0.267 29.964 29.700 -0.004 0.000 0.944 30 E HN 0.365 nan 8.360 nan 0.000 0.492 31 R N 0.522 121.022 120.500 0.000 0.000 2.854 31 R HA 0.501 4.841 4.340 -0.000 0.000 0.271 31 R C -0.308 175.994 176.300 0.004 0.000 0.996 31 R CA -0.871 55.232 56.100 0.004 0.000 0.961 31 R CB 1.833 32.138 30.300 0.008 0.000 1.182 31 R HN -0.059 nan 8.270 nan 0.000 0.479 32 I N 1.933 122.507 120.570 0.007 0.000 2.371 32 I HA 0.054 4.223 4.170 -0.000 0.000 0.290 32 I C 1.115 177.240 176.117 0.013 0.000 1.028 32 I CA -0.217 61.089 61.300 0.010 0.000 1.345 32 I CB 1.408 39.416 38.000 0.013 0.000 1.407 32 I HN 0.428 nan 8.210 nan 0.000 0.501 33 V N 3.390 123.311 119.914 0.013 0.000 3.263 33 V HA 0.194 4.314 4.120 -0.000 0.000 0.248 33 V C 0.493 176.599 176.094 0.020 0.000 1.145 33 V CA 0.409 62.718 62.300 0.014 0.000 1.107 33 V CB -0.246 31.581 31.823 0.008 0.000 0.797 33 V HN 0.788 nan 8.190 nan 0.000 0.467 34 E N -0.418 119.799 120.200 0.027 0.000 2.335 34 E HA 0.571 4.921 4.350 -0.000 0.000 0.280 34 E C -1.949 174.685 176.600 0.057 0.000 0.918 34 E CA -0.337 56.087 56.400 0.039 0.000 0.765 34 E CB 2.955 32.678 29.700 0.038 0.000 1.218 34 E HN -0.024 nan 8.360 nan 0.000 0.425 35 V N 3.159 123.114 119.914 0.068 0.000 2.376 35 V HA 0.606 4.726 4.120 -0.000 0.000 0.287 35 V C -0.338 175.829 176.094 0.122 0.000 1.015 35 V CA -0.330 62.031 62.300 0.101 0.000 0.834 35 V CB 1.453 33.332 31.823 0.093 0.000 1.001 35 V HN 0.711 nan 8.190 nan 0.000 0.428 36 T N 1.939 116.552 114.554 0.098 0.000 2.840 36 T HA 0.379 4.728 4.350 -0.000 0.000 0.317 36 T C -0.534 174.029 174.700 -0.229 0.000 1.401 36 T CA -0.317 61.772 62.100 -0.018 0.000 1.028 36 T CB 1.954 70.832 68.868 0.016 0.000 1.317 36 T HN 0.752 nan 8.240 nan 0.000 0.495 37 D N 0.945 121.062 120.400 -0.471 0.000 2.398 37 D HA 0.142 4.782 4.640 -0.000 0.000 0.210 37 D C 0.415 176.610 176.300 -0.176 0.000 1.094 37 D CA -0.330 53.356 54.000 -0.523 0.000 0.839 37 D CB 0.203 40.560 40.800 -0.740 0.000 0.963 37 D HN 0.135 nan 8.370 nan 0.000 0.506 38 R N 2.524 122.989 120.500 -0.057 0.000 2.370 38 R HA 0.208 4.548 4.340 -0.000 0.000 0.309 38 R C -2.143 174.218 176.300 0.102 0.000 1.059 38 R CA -1.445 54.663 56.100 0.013 0.000 0.981 38 R CB -0.208 30.094 30.300 0.004 0.000 0.972 38 R HN 0.161 nan 8.270 nan 0.000 0.437 39 P HA -0.121 nan 4.420 nan 0.000 0.257 39 P C 0.131 177.428 177.300 -0.004 0.000 1.162 39 P CA 0.214 63.362 63.100 0.080 0.000 0.762 39 P CB 0.439 32.159 31.700 0.033 0.000 0.753 40 V N 3.455 123.293 119.914 -0.126 0.000 2.470 40 V HA 0.032 4.152 4.120 -0.000 0.000 0.276 40 V C 0.213 176.239 176.094 -0.113 0.000 1.040 40 V CA -0.207 61.983 62.300 -0.183 0.000 1.008 40 V CB 0.082 31.652 31.823 -0.421 0.000 0.990 40 V HN 0.463 nan 8.190 nan 0.000 0.477 41 D N 6.143 126.501 120.400 -0.071 0.000 2.422 41 D HA 0.310 4.950 4.640 -0.000 0.000 0.227 41 D C -0.131 176.135 176.300 -0.057 0.000 1.190 41 D CA -0.253 53.716 54.000 -0.053 0.000 0.905 41 D CB 0.275 41.055 40.800 -0.033 0.000 1.034 41 D HN 0.633 nan 8.370 nan 0.000 0.507 42 L N 2.992 124.177 121.223 -0.063 0.000 2.264 42 L HA 0.620 4.960 4.340 -0.000 0.000 0.287 42 L C -1.944 174.900 176.870 -0.043 0.000 1.039 42 L CA -1.177 53.629 54.840 -0.058 0.000 0.829 42 L CB 0.953 42.969 42.059 -0.072 0.000 1.211 42 L HN 0.181 nan 8.230 nan 0.000 0.427 43 P HA 0.073 nan 4.420 nan 0.000 0.197 43 P C 0.719 178.003 177.300 -0.027 0.000 1.188 43 P CA 0.357 63.441 63.100 -0.028 0.000 0.873 43 P CB 0.240 31.926 31.700 -0.023 0.000 0.712 44 N N -0.355 118.330 118.700 -0.025 0.000 2.494 44 N HA 0.040 4.779 4.740 -0.000 0.000 0.182 44 N C 0.261 175.754 175.510 -0.028 0.000 1.076 44 N CA -0.145 52.891 53.050 -0.024 0.000 0.908 44 N CB -0.042 38.433 38.487 -0.020 0.000 0.967 44 N HN 0.140 nan 8.380 nan 0.000 0.449 45 A N 1.211 124.011 122.820 -0.033 0.000 2.462 45 A HA 0.011 4.331 4.320 -0.000 0.000 0.243 45 A C 0.217 177.775 177.584 -0.043 0.000 1.076 45 A CA -0.086 51.927 52.037 -0.039 0.000 0.773 45 A CB 0.463 19.436 19.000 -0.045 0.000 1.010 45 A HN 0.410 nan 8.150 nan 0.000 0.493 46 Q N 1.649 121.422 119.800 -0.045 0.000 2.279 46 Q HA 0.515 4.855 4.340 -0.000 0.000 0.256 46 Q C -0.381 175.580 176.000 -0.064 0.000 0.937 46 Q CA -0.295 55.478 55.803 -0.051 0.000 0.933 46 Q CB 1.051 29.760 28.738 -0.048 0.000 1.189 46 Q HN 0.827 nan 8.270 nan 0.000 0.417 47 A N 5.263 128.042 122.820 -0.069 0.000 2.312 47 A HA 0.648 4.968 4.320 -0.000 0.000 0.328 47 A C -0.628 176.896 177.584 -0.101 0.000 1.158 47 A CA -0.690 51.299 52.037 -0.081 0.000 0.821 47 A CB 0.712 19.667 19.000 -0.076 0.000 1.170 47 A HN 0.835 nan 8.150 nan 0.000 0.490 48 I N 1.502 121.998 120.570 -0.122 0.000 2.418 48 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 48 I C -0.963 175.072 176.117 -0.136 0.000 1.008 48 I CA -0.569 60.620 61.300 -0.185 0.000 1.104 48 I CB 1.992 39.819 38.000 -0.288 0.000 1.264 48 I HN 0.588 nan 8.210 nan 0.000 0.438 49 D N 6.042 126.375 120.400 -0.112 0.000 2.352 49 D HA 0.225 4.865 4.640 -0.000 0.000 0.245 49 D C 0.276 176.563 176.300 -0.022 0.000 1.224 49 D CA 0.066 54.041 54.000 -0.043 0.000 0.879 49 D CB 1.104 41.895 40.800 -0.014 0.000 1.057 49 D HN 0.222 nan 8.370 nan 0.000 0.491 50 V N 4.836 124.748 119.914 -0.004 0.000 3.121 50 V HA 0.117 4.237 4.120 -0.000 0.000 0.344 50 V C 0.937 177.038 176.094 0.013 0.000 1.390 50 V CA -0.675 61.636 62.300 0.018 0.000 1.177 50 V CB -0.900 30.928 31.823 0.008 0.000 1.163 50 V HN 0.481 nan 8.190 nan 0.000 0.484 51 R N 2.005 122.515 120.500 0.015 0.000 2.522 51 R HA 0.252 4.592 4.340 -0.000 0.000 0.284 51 R C 0.867 177.151 176.300 -0.026 0.000 1.032 51 R CA 1.238 57.333 56.100 -0.008 0.000 1.049 51 R CB 0.075 30.393 30.300 0.030 0.000 0.956 51 R HN 0.684 nan 8.270 nan 0.000 0.422 52 G N 2.434 111.183 108.800 -0.084 0.000 2.153 52 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.252 52 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.252 52 G C -0.397 174.476 174.900 -0.044 0.000 0.994 52 G CA 0.768 45.827 45.100 -0.069 0.000 0.698 52 G HN 0.659 nan 8.290 nan 0.000 0.521 53 K N -0.063 120.313 120.400 -0.041 0.000 2.426 53 K HA 0.554 4.874 4.320 -0.000 0.000 0.251 53 K C -0.308 176.276 176.600 -0.028 0.000 0.941 53 K CA -0.635 55.640 56.287 -0.019 0.000 0.808 53 K CB 1.598 34.108 32.500 0.016 0.000 1.265 53 K HN 0.061 nan 8.250 nan 0.000 0.432 54 T N 1.592 116.132 114.554 -0.024 0.000 2.761 54 T HA 0.199 4.549 4.350 -0.000 0.000 0.296 54 T C -0.193 174.494 174.700 -0.022 0.000 0.934 54 T CA -0.556 61.527 62.100 -0.029 0.000 1.091 54 T CB 0.583 69.434 68.868 -0.029 0.000 0.896 54 T HN 0.122 nan 8.240 nan 0.000 0.515 55 V N 6.275 126.174 119.914 -0.025 0.000 2.350 55 V HA 0.578 4.698 4.120 -0.000 0.000 0.276 55 V C 0.134 176.210 176.094 -0.030 0.000 1.028 55 V CA -0.660 61.624 62.300 -0.026 0.000 0.860 55 V CB 0.630 32.443 31.823 -0.017 0.000 0.990 55 V HN 0.945 nan 8.190 nan 0.000 0.453 56 M N 5.101 124.675 119.600 -0.043 0.000 2.593 56 M HA 0.789 5.269 4.480 -0.000 0.000 0.290 56 M C -3.103 173.152 176.300 -0.074 0.000 1.244 56 M CA -2.223 53.059 55.300 -0.029 0.000 0.857 56 M CB 2.531 35.144 32.600 0.022 0.000 1.738 56 M HN 0.187 nan 8.290 nan 0.000 0.461 57 P HA 0.168 nan 4.420 nan 0.000 0.269 57 P C 0.044 177.242 177.300 -0.170 0.000 1.215 57 P CA 0.158 63.219 63.100 -0.065 0.000 0.780 57 P CB 0.269 31.970 31.700 0.001 0.000 0.898 58 G N 2.223 110.900 108.800 -0.205 0.000 2.305 58 G HA2 0.183 4.143 3.960 -0.000 0.000 0.243 58 G HA3 0.183 4.143 3.960 -0.000 0.000 0.243 58 G C -0.465 174.327 174.900 -0.181 0.000 1.288 58 G CA -0.265 44.632 45.100 -0.339 0.000 0.901 58 G HN 0.209 nan 8.290 nan 0.000 0.516 59 F N 0.854 120.737 119.950 -0.110 0.000 2.506 59 F HA 0.373 4.900 4.527 -0.000 0.000 0.351 59 F C 0.903 176.811 175.800 0.179 0.000 1.136 59 F CA -0.826 57.127 58.000 -0.077 0.000 1.298 59 F CB 0.547 39.289 39.000 -0.429 0.000 1.145 59 F HN 0.199 nan 8.300 nan 0.000 0.593 60 I N 2.086 122.913 120.570 0.429 0.000 2.411 60 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 60 I C -0.582 175.758 176.117 0.371 0.000 1.012 60 I CA -0.658 60.866 61.300 0.373 0.000 1.119 60 I CB 1.296 39.425 38.000 0.214 0.000 1.261 60 I HN 0.423 nan 8.210 nan 0.000 0.448 61 D N 5.295 125.898 120.400 0.337 0.000 2.317 61 D HA 0.158 4.798 4.640 -0.000 0.000 0.252 61 D C 0.435 176.814 176.300 0.132 0.000 1.174 61 D CA -0.201 53.926 54.000 0.211 0.000 0.866 61 D CB 1.513 42.224 40.800 -0.147 0.000 1.127 61 D HN 0.600 nan 8.370 nan 0.000 0.467 62 C N 2.827 122.201 119.300 0.123 0.000 2.626 62 C HA 0.119 4.579 4.460 -0.000 0.000 0.266 62 C C 0.854 175.875 174.990 0.051 0.000 1.317 62 C CA -0.217 58.834 59.018 0.054 0.000 1.716 62 C CB -1.660 26.087 27.740 0.012 0.000 1.819 62 C HN 0.601 nan 8.230 nan 0.000 0.578 63 H N 0.099 119.115 119.070 -0.089 0.000 3.221 63 H HA 0.492 5.048 4.556 -0.000 0.000 0.324 63 H C -0.858 174.359 175.328 -0.185 0.000 1.212 63 H CA -0.156 55.798 56.048 -0.157 0.000 1.624 63 H CB 0.555 30.200 29.762 -0.196 0.000 1.899 63 H HN 0.083 nan 8.280 nan 0.000 0.538 64 V N 1.016 120.784 119.914 -0.243 0.000 3.102 64 V HA 0.570 4.689 4.120 -0.000 0.000 0.312 64 V C -0.697 175.151 176.094 -0.411 0.000 1.135 64 V CA -0.916 61.276 62.300 -0.181 0.000 1.022 64 V CB 2.511 34.289 31.823 -0.074 0.000 1.056 64 V HN 0.709 nan 8.190 nan 0.000 0.436 65 H N 1.190 120.317 119.070 0.095 0.000 2.786 65 H HA 0.455 5.011 4.556 -0.000 0.000 0.284 65 H C 0.588 175.967 175.328 0.086 0.000 1.104 65 H CA -0.326 55.766 56.048 0.074 0.000 1.339 65 H CB 1.896 31.712 29.762 0.090 0.000 1.427 65 H HN 0.509 nan 8.280 nan 0.000 0.497 66 V N 2.974 122.931 119.914 0.071 0.000 2.407 66 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 66 V C 2.114 178.204 176.094 -0.006 0.000 1.055 66 V CA 1.585 63.863 62.300 -0.037 0.000 1.049 66 V CB -0.139 31.655 31.823 -0.049 0.000 0.662 66 V HN 0.567 nan 8.190 nan 0.000 0.455 67 L N 0.111 121.367 121.223 0.054 0.000 2.612 67 L HA 0.285 4.625 4.340 -0.000 0.000 0.230 67 L C 1.314 178.218 176.870 0.056 0.000 1.140 67 L CA 0.046 54.910 54.840 0.041 0.000 0.896 67 L CB -0.186 41.894 42.059 0.034 0.000 1.065 67 L HN 0.238 nan 8.230 nan 0.000 0.447 68 A N -0.129 122.765 122.820 0.124 0.000 2.915 68 A HA 0.212 4.532 4.320 -0.000 0.000 0.292 68 A C 1.442 179.107 177.584 0.135 0.000 1.632 68 A CA 0.145 52.242 52.037 0.100 0.000 1.337 68 A CB -0.262 18.810 19.000 0.120 0.000 1.111 68 A HN 0.386 nan 8.150 nan 0.000 0.569 69 S N 1.063 116.794 115.700 0.052 0.000 2.527 69 S HA 0.015 4.485 4.470 -0.000 0.000 0.222 69 S C 0.485 175.085 174.600 -0.000 0.000 0.985 69 S CA 0.316 58.538 58.200 0.037 0.000 0.921 69 S CB -0.553 62.649 63.200 0.004 0.000 0.772 69 S HN 0.948 nan 8.310 nan 0.000 0.529 70 N N -1.439 117.246 118.700 -0.025 0.000 2.494 70 N HA 0.650 5.390 4.740 -0.000 0.000 0.270 70 N C 0.364 175.840 175.510 -0.056 0.000 1.285 70 N CA -0.384 52.637 53.050 -0.048 0.000 0.812 70 N CB 0.919 39.380 38.487 -0.042 0.000 1.557 70 N HN -0.082 nan 8.380 nan 0.000 0.487 71 A N 0.562 123.360 122.820 -0.035 0.000 2.070 71 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 71 A C 0.813 178.375 177.584 -0.037 0.000 1.159 71 A CA 1.105 53.135 52.037 -0.012 0.000 0.656 71 A CB -0.871 18.172 19.000 0.073 0.000 0.800 71 A HN 0.721 nan 8.150 nan 0.000 0.453 72 N N 0.504 119.169 118.700 -0.057 0.000 2.521 72 N HA 0.355 5.095 4.740 -0.000 0.000 0.236 72 N C 0.551 175.928 175.510 -0.221 0.000 1.067 72 N CA -0.112 52.874 53.050 -0.106 0.000 0.939 72 N CB 0.133 38.578 38.487 -0.070 0.000 1.201 72 N HN 0.280 nan 8.380 nan 0.000 0.511 73 L N 1.645 122.660 121.223 -0.346 0.000 2.265 73 L HA -0.013 4.327 4.340 -0.000 0.000 0.215 73 L C 2.164 178.464 176.870 -0.951 0.000 1.117 73 L CA 1.072 55.546 54.840 -0.609 0.000 0.782 73 L CB -0.269 41.376 42.059 -0.690 0.000 0.914 73 L HN 0.610 nan 8.230 nan 0.000 0.441 74 G N -0.763 107.530 108.800 -0.845 0.000 2.404 74 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 74 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 74 G C 1.571 176.312 174.900 -0.266 0.000 1.174 74 G CA 0.786 45.557 45.100 -0.548 0.000 0.780 74 G HN 0.189 nan 8.290 nan 0.000 0.537 75 V N 0.755 120.552 119.914 -0.194 0.000 3.041 75 V HA -0.037 4.083 4.120 -0.000 0.000 0.260 75 V C 2.351 178.379 176.094 -0.109 0.000 1.105 75 V CA 1.817 64.051 62.300 -0.110 0.000 1.125 75 V CB -0.380 31.401 31.823 -0.069 0.000 0.730 75 V HN 0.476 nan 8.190 nan 0.000 0.479 76 N N 0.018 118.622 118.700 -0.159 0.000 2.166 76 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 76 N C 1.790 177.236 175.510 -0.106 0.000 1.019 76 N CA 1.400 54.373 53.050 -0.130 0.000 0.856 76 N CB -0.203 38.184 38.487 -0.167 0.000 0.993 76 N HN 0.504 nan 8.380 nan 0.000 0.426 77 A N -0.526 122.210 122.820 -0.139 0.000 1.929 77 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 77 A C 2.169 179.738 177.584 -0.024 0.000 1.176 77 A CA 1.746 53.743 52.037 -0.066 0.000 0.628 77 A CB -1.002 17.969 19.000 -0.048 0.000 0.816 77 A HN 0.521 nan 8.150 nan 0.000 0.444 78 T N -0.866 113.667 114.554 -0.035 0.000 3.085 78 T HA 0.016 4.366 4.350 -0.000 0.000 0.263 78 T C 0.974 175.669 174.700 -0.007 0.000 1.127 78 T CA 0.465 62.559 62.100 -0.010 0.000 1.103 78 T CB -0.582 68.279 68.868 -0.011 0.000 0.921 78 T HN 0.712 nan 8.240 nan 0.000 0.510 79 Q N 1.801 121.591 119.800 -0.017 0.000 2.392 79 Q HA 0.300 4.640 4.340 -0.000 0.000 0.262 79 Q C -2.651 173.349 176.000 -0.001 0.000 1.003 79 Q CA -2.024 53.773 55.803 -0.011 0.000 0.888 79 Q CB -0.122 28.605 28.738 -0.019 0.000 1.260 79 Q HN 0.080 nan 8.270 nan 0.000 0.435 80 P HA -0.076 nan 4.420 nan 0.000 0.264 80 P C -0.238 177.067 177.300 0.008 0.000 1.179 80 P CA 0.213 63.316 63.100 0.005 0.000 0.763 80 P CB 0.487 32.188 31.700 0.001 0.000 0.806 81 N N 2.574 121.282 118.700 0.014 0.000 2.021 81 N HA -0.195 4.545 4.740 -0.000 0.000 0.198 81 N C 1.513 177.029 175.510 0.011 0.000 1.041 81 N CA 1.207 54.268 53.050 0.019 0.000 0.862 81 N CB -0.699 37.801 38.487 0.022 0.000 1.048 81 N HN 0.469 nan 8.380 nan 0.000 0.427 82 I N 0.212 120.784 120.570 0.004 0.000 2.286 82 I HA -0.102 4.068 4.170 -0.000 0.000 0.245 82 I C 1.744 177.858 176.117 -0.004 0.000 1.104 82 I CA 1.051 62.351 61.300 -0.000 0.000 1.397 82 I CB -0.578 37.420 38.000 -0.003 0.000 1.072 82 I HN 0.176 nan 8.210 nan 0.000 0.417 83 L N 1.299 122.519 121.223 -0.004 0.000 2.127 83 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 83 L C 2.837 179.702 176.870 -0.008 0.000 1.089 83 L CA 1.443 56.278 54.840 -0.007 0.000 0.757 83 L CB -0.479 41.576 42.059 -0.007 0.000 0.899 83 L HN 0.348 nan 8.230 nan 0.000 0.434 84 A N -0.474 122.343 122.820 -0.005 0.000 1.902 84 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 84 A C 2.444 180.024 177.584 -0.007 0.000 1.181 84 A CA 1.653 53.687 52.037 -0.006 0.000 0.623 84 A CB -0.686 18.314 19.000 -0.000 0.000 0.818 84 A HN 0.458 nan 8.150 nan 0.000 0.443 85 A N -0.176 122.641 122.820 -0.006 0.000 1.930 85 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 85 A C 1.964 179.537 177.584 -0.018 0.000 1.175 85 A CA 1.508 53.539 52.037 -0.010 0.000 0.627 85 A CB -0.429 18.567 19.000 -0.007 0.000 0.815 85 A HN 0.401 nan 8.150 nan 0.000 0.443 86 I N -0.212 120.348 120.570 -0.017 0.000 2.252 86 I HA -0.158 4.011 4.170 -0.000 0.000 0.245 86 I C 2.416 178.519 176.117 -0.024 0.000 1.102 86 I CA 1.272 62.559 61.300 -0.021 0.000 1.385 86 I CB -1.296 36.693 38.000 -0.017 0.000 1.064 86 I HN 0.340 nan 8.210 nan 0.000 0.414 87 R N 0.754 121.241 120.500 -0.021 0.000 2.189 87 R HA -0.099 4.241 4.340 -0.000 0.000 0.223 87 R C 2.350 178.633 176.300 -0.030 0.000 1.092 87 R CA 1.430 57.517 56.100 -0.023 0.000 0.989 87 R CB -0.193 30.096 30.300 -0.017 0.000 0.876 87 R HN 0.485 nan 8.270 nan 0.000 0.457 88 S N 0.382 116.062 115.700 -0.032 0.000 2.489 88 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 88 S C 1.974 176.536 174.600 -0.063 0.000 0.995 88 S CA 0.379 58.550 58.200 -0.049 0.000 0.934 88 S CB -0.162 63.015 63.200 -0.039 0.000 0.771 88 S HN 0.214 nan 8.310 nan 0.000 0.522 89 L N 1.073 122.266 121.223 -0.049 0.000 2.056 89 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 89 L C -0.697 176.144 176.870 -0.050 0.000 1.078 89 L CA 1.031 55.842 54.840 -0.049 0.000 0.749 89 L CB -1.821 40.215 42.059 -0.040 0.000 0.901 89 L HN 0.290 nan 8.230 nan 0.000 0.433 90 P HA -0.046 nan 4.420 nan 0.000 0.225 90 P C 1.772 179.036 177.300 -0.060 0.000 1.156 90 P CA 1.045 64.118 63.100 -0.044 0.000 0.787 90 P CB 0.112 31.790 31.700 -0.037 0.000 0.802 91 I N -1.152 119.363 120.570 -0.092 0.000 2.202 91 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 91 I C 2.188 178.216 176.117 -0.149 0.000 1.091 91 I CA 1.358 62.555 61.300 -0.172 0.000 1.368 91 I CB -0.697 37.120 38.000 -0.304 0.000 1.058 91 I HN -0.109 nan 8.210 nan 0.000 0.410 92 L N 0.362 121.518 121.223 -0.111 0.000 2.046 92 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 92 L C 2.216 179.065 176.870 -0.035 0.000 1.077 92 L CA 1.460 56.256 54.840 -0.073 0.000 0.747 92 L CB -0.542 41.478 42.059 -0.064 0.000 0.896 92 L HN 0.242 nan 8.230 nan 0.000 0.432 93 D N -0.287 120.093 120.400 -0.034 0.000 2.144 93 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 93 D C 2.149 178.451 176.300 0.003 0.000 0.978 93 D CA 1.224 55.215 54.000 -0.016 0.000 0.833 93 D CB 0.149 40.937 40.800 -0.022 0.000 0.961 93 D HN 0.263 nan 8.370 nan 0.000 0.470 94 A N -0.121 122.700 122.820 0.001 0.000 1.969 94 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 94 A C 2.281 179.916 177.584 0.086 0.000 1.169 94 A CA 1.109 53.163 52.037 0.028 0.000 0.635 94 A CB -0.496 18.512 19.000 0.013 0.000 0.810 94 A HN 0.254 nan 8.150 nan 0.000 0.445 95 M N -1.385 118.265 119.600 0.085 0.000 2.117 95 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 95 M C 2.205 178.660 176.300 0.258 0.000 1.065 95 M CA 1.383 56.797 55.300 0.191 0.000 1.114 95 M CB -0.411 32.241 32.600 0.086 0.000 1.361 95 M HN 0.450 nan 8.290 nan 0.000 0.408 96 L N 0.330 121.631 121.223 0.130 0.000 2.056 96 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 96 L C 2.700 179.602 176.870 0.053 0.000 1.078 96 L CA 1.906 56.797 54.840 0.085 0.000 0.749 96 L CB -0.409 41.670 42.059 0.033 0.000 0.901 96 L HN 0.338 nan 8.230 nan 0.000 0.433 97 S N -1.492 114.239 115.700 0.051 0.000 2.453 97 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 97 S C 2.077 176.703 174.600 0.044 0.000 1.005 97 S CA 0.475 58.690 58.200 0.025 0.000 0.949 97 S CB -0.515 62.693 63.200 0.014 0.000 0.774 97 S HN 0.446 nan 8.310 nan 0.000 0.510 98 R N 0.753 121.325 120.500 0.121 0.000 2.236 98 R HA 0.181 4.521 4.340 -0.000 0.000 0.208 98 R C 1.499 177.851 176.300 0.087 0.000 1.036 98 R CA 0.665 56.866 56.100 0.169 0.000 1.001 98 R CB -0.077 30.430 30.300 0.345 0.000 0.896 98 R HN 0.647 nan 8.270 nan 0.000 0.464 99 G N -0.526 108.266 108.800 -0.013 0.000 2.227 99 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.168 99 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.168 99 G C -0.206 174.434 174.900 -0.432 0.000 1.006 99 G CA -0.779 44.140 45.100 -0.302 0.000 0.684 99 G HN 0.116 nan 8.290 nan 0.000 0.489 100 F N 2.562 122.567 119.950 0.092 0.000 2.375 100 F HA 0.473 5.000 4.527 -0.000 0.000 0.362 100 F C 1.733 177.547 175.800 0.023 0.000 1.129 100 F CA 0.457 58.519 58.000 0.103 0.000 1.154 100 F CB 1.608 40.704 39.000 0.160 0.000 1.205 100 F HN 0.074 nan 8.300 nan 0.000 0.513 101 T N -2.283 112.340 114.554 0.114 0.000 3.060 101 T HA 0.235 4.585 4.350 -0.000 0.000 0.249 101 T C 0.486 175.248 174.700 0.104 0.000 1.079 101 T CA -0.040 62.096 62.100 0.060 0.000 1.013 101 T CB 0.025 68.884 68.868 -0.014 0.000 0.975 101 T HN 0.317 nan 8.240 nan 0.000 0.518 102 S N 0.582 116.396 115.700 0.191 0.000 2.536 102 S HA 0.710 5.179 4.470 -0.000 0.000 0.271 102 S C -0.928 173.827 174.600 0.258 0.000 1.134 102 S CA -0.767 57.567 58.200 0.223 0.000 0.897 102 S CB 2.269 65.665 63.200 0.327 0.000 1.094 102 S HN 0.608 nan 8.310 nan 0.000 0.473 103 V N 0.381 120.425 119.914 0.216 0.000 2.962 103 V HA 0.748 4.868 4.120 -0.000 0.000 0.313 103 V C -0.722 175.514 176.094 0.238 0.000 1.099 103 V CA -1.197 61.205 62.300 0.169 0.000 0.971 103 V CB 1.939 33.789 31.823 0.046 0.000 1.028 103 V HN 0.883 nan 8.190 nan 0.000 0.430 104 R N 1.624 122.217 120.500 0.154 0.000 2.310 104 R HA 0.449 4.789 4.340 -0.000 0.000 0.324 104 R C -0.868 175.427 176.300 -0.008 0.000 0.955 104 R CA -0.375 55.805 56.100 0.134 0.000 0.830 104 R CB 1.111 31.454 30.300 0.072 0.000 1.154 104 R HN 1.030 nan 8.270 nan 0.000 0.458 105 D N 2.858 123.250 120.400 -0.013 0.000 2.350 105 D HA 0.141 4.781 4.640 -0.000 0.000 0.249 105 D C 0.174 176.361 176.300 -0.188 0.000 1.119 105 D CA 0.106 54.044 54.000 -0.104 0.000 0.886 105 D CB 1.472 42.252 40.800 -0.033 0.000 1.195 105 D HN 0.601 nan 8.370 nan 0.000 0.437 106 A N 3.185 125.758 122.820 -0.411 0.000 2.462 106 A HA 0.594 4.913 4.320 -0.000 0.000 0.261 106 A C 0.685 178.226 177.584 -0.071 0.000 1.323 106 A CA 0.300 52.054 52.037 -0.473 0.000 0.913 106 A CB -0.675 17.583 19.000 -1.236 0.000 1.028 106 A HN 0.856 nan 8.150 nan 0.000 0.511 107 G N -2.674 106.153 108.800 0.045 0.000 3.101 107 G HA2 0.497 4.457 3.960 -0.000 0.000 0.672 107 G HA3 0.497 4.457 3.960 -0.000 0.000 0.672 107 G C 0.477 175.502 174.900 0.208 0.000 1.331 107 G CA 0.208 45.398 45.100 0.151 0.000 0.925 107 G HN 1.906 nan 8.290 nan 0.000 0.596 108 G N 0.443 109.313 108.800 0.116 0.000 3.246 108 G HA2 0.447 4.406 3.960 -0.000 0.000 0.196 108 G HA3 0.447 4.406 3.960 -0.000 0.000 0.196 108 G C 1.053 175.994 174.900 0.068 0.000 2.019 108 G CA 1.312 46.469 45.100 0.095 0.000 1.385 108 G HN 2.551 nan 8.290 nan 0.000 0.484 109 A N 1.690 124.545 122.820 0.058 0.000 2.425 109 A HA 0.557 4.877 4.320 -0.000 0.000 0.249 109 A C 0.436 178.050 177.584 0.049 0.000 1.084 109 A CA 1.139 53.198 52.037 0.037 0.000 0.781 109 A CB 0.094 19.102 19.000 0.012 0.000 1.019 109 A HN 0.994 nan 8.150 nan 0.000 0.490 110 D N 0.389 120.823 120.400 0.057 0.000 2.666 110 D HA 0.130 4.770 4.640 -0.000 0.000 0.252 110 D C 0.627 177.005 176.300 0.130 0.000 1.143 110 D CA -0.762 53.301 54.000 0.105 0.000 1.096 110 D CB -0.206 40.669 40.800 0.126 0.000 1.260 110 D HN 0.549 nan 8.370 nan 0.000 0.633 111 W N 0.387 121.679 121.300 -0.013 0.000 2.519 111 W HA -0.043 4.617 4.660 -0.000 0.000 0.266 111 W C 1.725 178.230 176.519 -0.024 0.000 1.253 111 W CA 1.635 58.967 57.345 -0.022 0.000 1.274 111 W CB -0.068 29.383 29.460 -0.015 0.000 1.114 111 W HN 0.280 nan 8.180 nan 0.000 0.596 112 S N 0.838 116.557 115.700 0.031 0.000 2.368 112 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 112 S C 1.865 176.343 174.600 -0.204 0.000 1.029 112 S CA 1.377 59.494 58.200 -0.139 0.000 0.988 112 S CB -0.805 62.410 63.200 0.025 0.000 0.838 112 S HN 0.314 nan 8.310 nan 0.000 0.462 113 L N 0.914 122.066 121.223 -0.119 0.000 2.141 113 L HA -0.003 4.337 4.340 -0.000 0.000 0.209 113 L C 2.565 179.332 176.870 -0.171 0.000 1.094 113 L CA 0.985 55.754 54.840 -0.119 0.000 0.763 113 L CB -0.284 41.736 42.059 -0.066 0.000 0.908 113 L HN 0.397 nan 8.230 nan 0.000 0.437 114 M N -1.172 118.299 119.600 -0.214 0.000 2.132 114 M HA -0.230 4.250 4.480 -0.000 0.000 0.263 114 M C 2.193 178.283 176.300 -0.350 0.000 1.065 114 M CA 1.598 56.740 55.300 -0.262 0.000 1.122 114 M CB 0.002 32.458 32.600 -0.241 0.000 1.365 114 M HN 0.217 nan 8.290 nan 0.000 0.411 115 Q N 0.051 119.540 119.800 -0.517 0.000 2.123 115 Q HA -0.008 4.332 4.340 -0.000 0.000 0.199 115 Q C 2.128 177.943 176.000 -0.309 0.000 0.966 115 Q CA 1.645 57.139 55.803 -0.516 0.000 0.845 115 Q CB -0.561 27.691 28.738 -0.810 0.000 0.907 115 Q HN 0.678 nan 8.270 nan 0.000 0.439 116 A N 0.760 123.428 122.820 -0.254 0.000 1.933 116 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 116 A C 2.234 179.736 177.584 -0.136 0.000 1.175 116 A CA 1.904 53.841 52.037 -0.166 0.000 0.628 116 A CB -0.681 18.240 19.000 -0.132 0.000 0.814 116 A HN 0.296 nan 8.150 nan 0.000 0.444 117 V N -3.013 116.814 119.914 -0.144 0.000 2.591 117 V HA -0.054 4.066 4.120 -0.000 0.000 0.249 117 V C 1.756 177.780 176.094 -0.117 0.000 1.053 117 V CA 1.956 64.186 62.300 -0.117 0.000 1.068 117 V CB -0.626 31.130 31.823 -0.111 0.000 0.689 117 V HN 0.542 nan 8.190 nan 0.000 0.462 118 E N 1.341 121.453 120.200 -0.147 0.000 2.170 118 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 118 E C 2.296 178.833 176.600 -0.106 0.000 0.981 118 E CA 1.471 57.793 56.400 -0.130 0.000 0.830 118 E CB -0.065 29.542 29.700 -0.155 0.000 0.775 118 E HN 0.868 nan 8.360 nan 0.000 0.470 119 T N -2.992 111.492 114.554 -0.118 0.000 3.088 119 T HA 0.175 4.525 4.350 -0.000 0.000 0.259 119 T C 1.502 176.159 174.700 -0.072 0.000 1.122 119 T CA 0.624 62.669 62.100 -0.092 0.000 1.095 119 T CB 0.574 69.381 68.868 -0.103 0.000 0.930 119 T HN 0.252 nan 8.240 nan 0.000 0.508 120 G N 0.624 109.380 108.800 -0.074 0.000 2.179 120 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 120 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 120 G C 0.506 175.372 174.900 -0.056 0.000 0.990 120 G CA 0.139 45.204 45.100 -0.058 0.000 0.646 120 G HN 0.428 nan 8.290 nan 0.000 0.517 121 L N -0.007 121.176 121.223 -0.066 0.000 2.217 121 L HA 0.370 4.710 4.340 -0.000 0.000 0.211 121 L C 1.284 178.121 176.870 -0.056 0.000 1.107 121 L CA 1.281 56.085 54.840 -0.060 0.000 0.783 121 L CB 0.157 42.175 42.059 -0.069 0.000 0.919 121 L HN 0.207 nan 8.230 nan 0.000 0.442 122 V N -1.487 118.389 119.914 -0.063 0.000 2.638 122 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 122 V C -0.178 175.884 176.094 -0.053 0.000 1.052 122 V CA -0.762 61.503 62.300 -0.057 0.000 0.885 122 V CB 2.007 33.790 31.823 -0.066 0.000 0.999 122 V HN -0.038 nan 8.190 nan 0.000 0.424 123 S N 2.911 118.585 115.700 -0.043 0.000 2.474 123 S HA 0.783 5.253 4.470 -0.000 0.000 0.276 123 S C 0.214 174.794 174.600 -0.034 0.000 1.227 123 S CA 0.523 58.702 58.200 -0.036 0.000 1.050 123 S CB 0.299 63.483 63.200 -0.027 0.000 0.939 123 S HN 1.359 nan 8.310 nan 0.000 0.490 124 G N 4.708 113.489 108.800 -0.032 0.000 2.316 124 G HA2 0.356 4.316 3.960 -0.000 0.000 0.296 124 G HA3 0.356 4.316 3.960 -0.000 0.000 0.296 124 G C -3.527 171.361 174.900 -0.019 0.000 1.399 124 G CA -0.875 44.211 45.100 -0.024 0.000 0.833 124 G HN 0.467 nan 8.290 nan 0.000 0.565 125 P HA 0.288 nan 4.420 nan 0.000 0.272 125 P C -0.149 177.130 177.300 -0.035 0.000 1.240 125 P CA -0.423 62.688 63.100 0.018 0.000 0.791 125 P CB 0.738 32.483 31.700 0.075 0.000 0.978 126 R N 1.610 122.081 120.500 -0.048 0.000 2.570 126 R HA 0.231 4.571 4.340 -0.000 0.000 0.277 126 R C -0.418 175.765 176.300 -0.195 0.000 1.039 126 R CA 0.132 56.138 56.100 -0.156 0.000 1.065 126 R CB -0.521 29.674 30.300 -0.175 0.000 0.964 126 R HN 0.382 nan 8.270 nan 0.000 0.428 127 I N 5.349 125.750 120.570 -0.281 0.000 2.354 127 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 127 I C -0.720 175.173 176.117 -0.373 0.000 0.989 127 I CA -0.639 60.536 61.300 -0.210 0.000 1.188 127 I CB 1.249 39.176 38.000 -0.122 0.000 1.342 127 I HN 0.574 nan 8.210 nan 0.000 0.457 128 F N 7.816 127.765 119.950 -0.001 0.000 2.291 128 F HA 0.356 4.883 4.527 -0.000 0.000 0.368 128 F C -2.120 173.671 175.800 -0.014 0.000 1.085 128 F CA -2.260 55.743 58.000 0.005 0.000 1.165 128 F CB 0.569 39.581 39.000 0.019 0.000 1.429 128 F HN 0.208 nan 8.300 nan 0.000 0.503 129 P HA 0.199 nan 4.420 nan 0.000 0.286 129 P C 0.000 177.325 177.300 0.040 0.000 1.261 129 P CA -0.417 62.716 63.100 0.056 0.000 0.821 129 P CB 1.951 33.682 31.700 0.051 0.000 1.013 130 S N 0.889 116.597 115.700 0.015 0.000 2.548 130 S HA 0.235 4.705 4.470 -0.000 0.000 0.215 130 S C 1.364 175.971 174.600 0.012 0.000 0.976 130 S CA 0.572 58.768 58.200 -0.006 0.000 0.908 130 S CB -0.669 62.521 63.200 -0.017 0.000 0.781 130 S HN 0.887 nan 8.310 nan 0.000 0.519 131 G N 2.365 111.186 108.800 0.036 0.000 2.601 131 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.306 131 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.306 131 G C -0.438 174.491 174.900 0.047 0.000 1.172 131 G CA 0.111 45.239 45.100 0.046 0.000 0.966 131 G HN 0.362 nan 8.290 nan 0.000 0.542 132 K N 1.513 121.936 120.400 0.038 0.000 2.164 132 K HA 0.740 5.060 4.320 -0.000 0.000 0.258 132 K C 0.533 177.157 176.600 0.039 0.000 0.951 132 K CA 0.086 56.398 56.287 0.042 0.000 0.844 132 K CB 1.643 34.162 32.500 0.032 0.000 1.099 132 K HN 1.078 nan 8.250 nan 0.000 0.435 133 A N 3.241 126.094 122.820 0.056 0.000 2.445 133 A HA 0.339 4.659 4.320 -0.000 0.000 0.242 133 A C 0.028 177.645 177.584 0.055 0.000 1.075 133 A CA -0.284 51.790 52.037 0.061 0.000 0.777 133 A CB 0.050 19.102 19.000 0.087 0.000 1.013 133 A HN 0.619 nan 8.150 nan 0.000 0.493 134 L N 1.696 122.960 121.223 0.068 0.000 2.309 134 L HA 0.592 4.932 4.340 -0.000 0.000 0.282 134 L C 0.431 177.430 176.870 0.214 0.000 1.036 134 L CA -0.224 54.679 54.840 0.104 0.000 0.806 134 L CB 1.497 43.589 42.059 0.054 0.000 1.220 134 L HN 0.701 nan 8.230 nan 0.000 0.429 135 S N 1.420 117.245 115.700 0.208 0.000 2.546 135 S HA 0.501 4.970 4.470 -0.000 0.000 0.274 135 S C -0.824 173.760 174.600 -0.026 0.000 1.121 135 S CA -0.748 57.537 58.200 0.142 0.000 0.887 135 S CB 1.991 65.176 63.200 -0.024 0.000 1.094 135 S HN 0.641 nan 8.310 nan 0.000 0.474 136 Q N 1.320 120.911 119.800 -0.348 0.000 2.237 136 Q HA 0.558 4.898 4.340 -0.000 0.000 0.219 136 Q C -0.441 175.417 176.000 -0.236 0.000 0.999 136 Q CA -0.609 54.917 55.803 -0.462 0.000 0.959 136 Q CB -0.231 28.006 28.738 -0.835 0.000 1.173 136 Q HN 0.436 nan 8.270 nan 0.000 0.527 137 T N 1.133 115.576 114.554 -0.185 0.000 2.784 137 T HA 0.385 4.734 4.350 -0.000 0.000 0.291 137 T C 0.997 175.630 174.700 -0.112 0.000 0.942 137 T CA 0.774 62.801 62.100 -0.122 0.000 1.161 137 T CB -0.207 68.607 68.868 -0.090 0.000 0.885 137 T HN 0.961 nan 8.240 nan 0.000 0.534 138 G N 2.893 111.632 108.800 -0.101 0.000 2.176 138 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.253 138 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.253 138 G C 0.554 175.405 174.900 -0.083 0.000 0.979 138 G CA -0.123 44.928 45.100 -0.081 0.000 0.641 138 G HN 1.093 nan 8.290 nan 0.000 0.530 139 G N -1.411 107.323 108.800 -0.111 0.000 2.508 139 G HA2 0.422 4.381 3.960 -0.000 0.000 0.278 139 G HA3 0.422 4.381 3.960 -0.000 0.000 0.278 139 G C 0.621 175.478 174.900 -0.072 0.000 1.389 139 G CA 0.549 45.604 45.100 -0.075 0.000 1.050 139 G HN 0.515 nan 8.290 nan 0.000 0.522 140 H N -1.054 117.944 119.070 -0.120 0.000 2.524 140 H HA 0.057 4.613 4.556 -0.000 0.000 0.282 140 H C 2.225 177.339 175.328 -0.356 0.000 1.016 140 H CA 1.522 57.473 56.048 -0.162 0.000 1.270 140 H CB -0.030 29.681 29.762 -0.086 0.000 1.394 140 H HN 0.404 nan 8.280 nan 0.000 0.568 141 G N -1.061 107.471 108.800 -0.446 0.000 3.233 141 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.234 141 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.234 141 G C -0.378 174.026 174.900 -0.827 0.000 1.137 141 G CA -0.039 44.660 45.100 -0.669 0.000 0.763 141 G HN 0.303 nan 8.290 nan 0.000 0.549 142 D N 0.464 120.465 120.400 -0.665 0.000 2.428 142 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 142 D C -0.235 175.787 176.300 -0.463 0.000 1.123 142 D CA -0.990 52.746 54.000 -0.441 0.000 0.869 142 D CB 0.211 40.877 40.800 -0.224 0.000 1.032 142 D HN 0.020 nan 8.370 nan 0.000 0.506 143 F N 2.517 122.436 119.950 -0.052 0.000 2.873 143 F HA 0.298 4.825 4.527 -0.000 0.000 0.289 143 F C 1.147 176.931 175.800 -0.027 0.000 1.206 143 F CA -0.449 57.525 58.000 -0.044 0.000 1.401 143 F CB -0.197 38.771 39.000 -0.053 0.000 0.996 143 F HN -0.016 nan 8.300 nan 0.000 0.511 144 R N 1.846 122.384 120.500 0.064 0.000 2.404 144 R HA 0.326 4.666 4.340 -0.000 0.000 0.291 144 R C -1.925 174.398 176.300 0.038 0.000 1.025 144 R CA -1.586 54.541 56.100 0.045 0.000 0.991 144 R CB 0.699 31.005 30.300 0.011 0.000 1.053 144 R HN 0.031 nan 8.270 nan 0.000 0.479 145 P HA 0.093 nan 4.420 nan 0.000 0.302 145 P C -0.057 177.253 177.300 0.017 0.000 1.301 145 P CA -0.268 62.851 63.100 0.031 0.000 0.745 145 P CB 0.609 32.326 31.700 0.029 0.000 1.331 146 R N -0.790 119.719 120.500 0.015 0.000 2.280 146 R HA 0.029 4.369 4.340 -0.000 0.000 0.207 146 R C 2.021 178.324 176.300 0.006 0.000 1.043 146 R CA 1.379 57.485 56.100 0.009 0.000 1.006 146 R CB -1.250 29.055 30.300 0.009 0.000 0.885 146 R HN 0.639 nan 8.270 nan 0.000 0.467 147 G N -0.493 108.312 108.800 0.008 0.000 2.798 147 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.202 147 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.202 147 G C -0.070 174.832 174.900 0.003 0.000 1.432 147 G CA 0.753 45.857 45.100 0.006 0.000 0.861 147 G HN 0.290 nan 8.290 nan 0.000 0.598 148 D N -1.590 118.812 120.400 0.003 0.000 2.579 148 D HA 0.488 5.128 4.640 -0.000 0.000 0.257 148 D C -0.959 175.340 176.300 -0.001 0.000 1.176 148 D CA -0.450 53.550 54.000 0.000 0.000 0.914 148 D CB 2.005 42.806 40.800 0.001 0.000 1.431 148 D HN 0.028 nan 8.370 nan 0.000 0.454 149 L N 1.690 122.910 121.223 -0.004 0.000 2.435 149 L HA 0.372 4.712 4.340 -0.000 0.000 0.253 149 L C 0.037 176.904 176.870 -0.006 0.000 1.087 149 L CA -0.278 54.557 54.840 -0.008 0.000 0.950 149 L CB 0.588 42.638 42.059 -0.014 0.000 1.304 149 L HN 0.080 nan 8.230 nan 0.000 0.453 150 L N 0.832 122.054 121.223 -0.001 0.000 2.466 150 L HA 0.239 4.579 4.340 -0.000 0.000 0.257 150 L C 0.723 177.591 176.870 -0.003 0.000 1.189 150 L CA -0.414 54.426 54.840 0.001 0.000 0.813 150 L CB 0.633 42.696 42.059 0.006 0.000 1.118 150 L HN 0.472 nan 8.230 nan 0.000 0.471 151 E N 2.294 122.493 120.200 -0.003 0.000 2.180 151 E HA 0.165 4.515 4.350 -0.000 0.000 0.283 151 E C -2.062 174.533 176.600 -0.008 0.000 1.061 151 E CA -1.443 54.952 56.400 -0.009 0.000 0.861 151 E CB 0.460 30.155 29.700 -0.009 0.000 1.056 151 E HN 0.282 nan 8.360 nan 0.000 0.407 152 P HA 0.133 nan 4.420 nan 0.000 0.220 152 P C 0.442 177.704 177.300 -0.064 0.000 1.828 152 P CA -0.437 62.652 63.100 -0.019 0.000 1.159 152 P CB -0.131 31.563 31.700 -0.009 0.000 1.758 153 C N 0.373 119.624 119.300 -0.081 0.000 2.491 153 C HA -0.027 4.432 4.460 -0.000 0.000 0.277 153 C C 2.108 176.867 174.990 -0.385 0.000 1.455 153 C CA 0.549 59.433 59.018 -0.224 0.000 1.758 153 C CB -1.836 25.808 27.740 -0.161 0.000 1.745 153 C HN 0.477 nan 8.230 nan 0.000 0.558 154 S N -0.161 115.478 115.700 -0.102 0.000 2.515 154 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 154 S C 1.613 176.194 174.600 -0.033 0.000 0.987 154 S CA 1.262 59.476 58.200 0.023 0.000 0.936 154 S CB -1.292 61.971 63.200 0.106 0.000 0.766 154 S HN 0.785 nan 8.310 nan 0.000 0.528 155 C N 0.827 120.073 119.300 -0.090 0.000 2.401 155 C HA -0.093 4.366 4.460 -0.000 0.000 0.276 155 C C 2.947 177.894 174.990 -0.070 0.000 1.233 155 C CA 0.604 59.589 59.018 -0.056 0.000 1.753 155 C CB -1.732 25.971 27.740 -0.062 0.000 2.029 155 C HN 0.743 nan 8.230 nan 0.000 0.478 156 C N -0.705 118.478 119.300 -0.196 0.000 2.495 156 C HA 0.116 4.576 4.460 -0.000 0.000 0.275 156 C C 2.327 177.328 174.990 0.018 0.000 1.392 156 C CA 0.433 59.358 59.018 -0.156 0.000 1.766 156 C CB -1.443 26.128 27.740 -0.281 0.000 1.933 156 C HN 0.636 nan 8.230 nan 0.000 0.519 157 F N 0.030 119.993 119.950 0.021 0.000 2.374 157 F HA 0.131 4.658 4.527 -0.000 0.000 0.291 157 F C 1.219 177.030 175.800 0.019 0.000 1.084 157 F CA -0.124 57.888 58.000 0.019 0.000 1.413 157 F CB -0.079 38.930 39.000 0.015 0.000 1.099 157 F HN -0.143 nan 8.300 nan 0.000 0.534 158 R N 1.828 122.445 120.500 0.195 0.000 2.402 158 R HA 0.023 4.363 4.340 -0.000 0.000 0.331 158 R C 0.783 177.136 176.300 0.088 0.000 1.040 158 R CA 0.065 56.233 56.100 0.114 0.000 0.980 158 R CB -0.744 29.603 30.300 0.079 0.000 0.967 158 R HN 0.160 nan 8.270 nan 0.000 0.440 159 T N -1.420 113.181 114.554 0.078 0.000 3.380 159 T HA 0.094 4.443 4.350 -0.000 0.000 0.250 159 T C 1.262 175.985 174.700 0.040 0.000 1.082 159 T CA 0.321 62.459 62.100 0.062 0.000 0.968 159 T CB 0.245 69.149 68.868 0.059 0.000 1.027 159 T HN 0.526 nan 8.240 nan 0.000 0.575 160 G N 0.078 108.897 108.800 0.032 0.000 3.192 160 G HA2 0.558 4.518 3.960 -0.000 0.000 0.239 160 G HA3 0.558 4.518 3.960 -0.000 0.000 0.239 160 G C 0.433 175.333 174.900 0.001 0.000 1.084 160 G CA -0.054 45.052 45.100 0.010 0.000 0.784 160 G HN 0.753 nan 8.290 nan 0.000 0.540 161 A N 0.760 123.596 122.820 0.026 0.000 2.331 161 A HA 0.634 4.954 4.320 -0.000 0.000 0.283 161 A C 1.176 178.792 177.584 0.053 0.000 1.142 161 A CA -0.489 51.573 52.037 0.042 0.000 0.812 161 A CB 0.650 19.691 19.000 0.068 0.000 1.074 161 A HN 0.020 nan 8.150 nan 0.000 0.497 162 I N 1.148 121.758 120.570 0.067 0.000 2.235 162 I HA 0.003 4.173 4.170 -0.000 0.000 0.241 162 I C 1.507 177.674 176.117 0.083 0.000 1.085 162 I CA 1.733 63.068 61.300 0.059 0.000 1.378 162 I CB -1.424 36.568 38.000 -0.014 0.000 1.076 162 I HN 0.649 nan 8.210 nan 0.000 0.415 163 A N 1.502 124.382 122.820 0.101 0.000 2.354 163 A HA 0.714 5.034 4.320 -0.000 0.000 0.321 163 A C 0.058 177.658 177.584 0.027 0.000 1.125 163 A CA -0.595 51.469 52.037 0.045 0.000 0.799 163 A CB 1.293 20.281 19.000 -0.019 0.000 1.293 163 A HN 0.352 nan 8.150 nan 0.000 0.452 164 R N -0.042 120.464 120.500 0.010 0.000 2.778 164 R HA 0.736 5.076 4.340 -0.000 0.000 0.277 164 R C -1.690 174.603 176.300 -0.011 0.000 0.977 164 R CA -0.703 55.391 56.100 -0.010 0.000 0.950 164 R CB 1.461 31.750 30.300 -0.018 0.000 1.165 164 R HN 0.275 nan 8.270 nan 0.000 0.474 165 V N 2.708 122.604 119.914 -0.031 0.000 2.383 165 V HA 0.428 4.548 4.120 -0.000 0.000 0.275 165 V C -0.131 175.956 176.094 -0.012 0.000 1.036 165 V CA -0.538 61.743 62.300 -0.032 0.000 0.889 165 V CB 1.115 32.901 31.823 -0.061 0.000 0.985 165 V HN 0.658 nan 8.190 nan 0.000 0.459 166 V N 1.526 121.457 119.914 0.029 0.000 2.808 166 V HA 0.770 4.890 4.120 -0.000 0.000 0.308 166 V C -1.207 174.928 176.094 0.069 0.000 1.099 166 V CA -0.847 61.483 62.300 0.049 0.000 0.920 166 V CB 2.045 33.914 31.823 0.076 0.000 1.014 166 V HN 0.762 nan 8.190 nan 0.000 0.425 167 D N 1.429 121.849 120.400 0.033 0.000 2.423 167 D HA 0.859 5.499 4.640 -0.000 0.000 0.235 167 D C 0.221 176.555 176.300 0.057 0.000 1.011 167 D CA 0.528 54.543 54.000 0.025 0.000 0.963 167 D CB 1.803 42.579 40.800 -0.039 0.000 1.349 167 D HN 1.494 nan 8.370 nan 0.000 0.508 168 G N -1.097 107.745 108.800 0.070 0.000 2.719 168 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 168 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 168 G C 0.573 175.517 174.900 0.073 0.000 1.201 168 G CA -0.454 44.681 45.100 0.058 0.000 0.768 168 G HN 0.407 nan 8.290 nan 0.000 0.629 169 V N 1.368 121.315 119.914 0.054 0.000 2.295 169 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 169 V C 2.605 178.715 176.094 0.028 0.000 1.049 169 V CA 2.695 65.019 62.300 0.041 0.000 1.024 169 V CB -0.411 31.431 31.823 0.030 0.000 0.648 169 V HN 0.782 nan 8.190 nan 0.000 0.447 170 E N 0.552 120.766 120.200 0.023 0.000 2.216 170 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 170 E C 2.296 178.906 176.600 0.016 0.000 0.988 170 E CA 1.143 57.552 56.400 0.015 0.000 0.834 170 E CB -0.529 29.178 29.700 0.011 0.000 0.772 170 E HN 0.617 nan 8.360 nan 0.000 0.479 171 G N 1.651 110.466 108.800 0.025 0.000 2.402 171 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 171 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 171 G C 1.789 176.709 174.900 0.033 0.000 1.162 171 G CA 1.254 46.370 45.100 0.027 0.000 0.777 171 G HN 0.312 nan 8.290 nan 0.000 0.539 172 V N -1.974 117.969 119.914 0.048 0.000 2.951 172 V HA 0.234 4.354 4.120 -0.000 0.000 0.255 172 V C 2.368 178.462 176.094 -0.001 0.000 1.088 172 V CA 1.395 63.715 62.300 0.033 0.000 1.109 172 V CB -0.341 31.503 31.823 0.035 0.000 0.724 172 V HN 0.258 nan 8.190 nan 0.000 0.471 173 R N -0.300 120.201 120.500 0.001 0.000 2.075 173 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 173 R C 2.264 178.559 176.300 -0.008 0.000 1.126 173 R CA 1.837 57.933 56.100 -0.007 0.000 0.963 173 R CB -0.331 29.968 30.300 -0.002 0.000 0.858 173 R HN 0.562 nan 8.270 nan 0.000 0.435 174 L N 0.516 121.737 121.223 -0.003 0.000 2.027 174 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 174 L C 2.282 179.146 176.870 -0.010 0.000 1.074 174 L CA 2.023 56.859 54.840 -0.006 0.000 0.745 174 L CB -0.487 41.569 42.059 -0.003 0.000 0.898 174 L HN 0.154 nan 8.230 nan 0.000 0.433 175 A N -1.208 121.608 122.820 -0.007 0.000 1.940 175 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 175 A C 2.245 179.820 177.584 -0.016 0.000 1.176 175 A CA 2.082 54.114 52.037 -0.009 0.000 0.631 175 A CB -1.077 17.925 19.000 0.003 0.000 0.814 175 A HN 0.319 nan 8.150 nan 0.000 0.446 176 V N -0.282 119.619 119.914 -0.022 0.000 2.358 176 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 176 V C 2.605 178.682 176.094 -0.028 0.000 1.047 176 V CA 2.123 64.404 62.300 -0.031 0.000 1.035 176 V CB -0.775 31.025 31.823 -0.039 0.000 0.658 176 V HN 0.525 nan 8.190 nan 0.000 0.452 177 R N -0.127 120.359 120.500 -0.024 0.000 2.096 177 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 177 R C 2.315 178.598 176.300 -0.027 0.000 1.127 177 R CA 1.732 57.817 56.100 -0.024 0.000 0.968 177 R CB -0.278 30.010 30.300 -0.019 0.000 0.861 177 R HN 0.622 nan 8.270 nan 0.000 0.440 178 E N 0.297 120.484 120.200 -0.022 0.000 2.031 178 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 178 E C 1.942 178.528 176.600 -0.024 0.000 0.994 178 E CA 1.015 57.402 56.400 -0.021 0.000 0.800 178 E CB 0.051 29.742 29.700 -0.015 0.000 0.752 178 E HN 0.229 nan 8.360 nan 0.000 0.447 179 E N 0.419 120.607 120.200 -0.020 0.000 2.204 179 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 179 E C 2.085 178.670 176.600 -0.025 0.000 0.990 179 E CA 0.687 57.078 56.400 -0.015 0.000 0.821 179 E CB -0.092 29.600 29.700 -0.013 0.000 0.750 179 E HN 0.354 nan 8.360 nan 0.000 0.477 180 I N 1.098 121.647 120.570 -0.035 0.000 2.286 180 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 180 I C 2.582 178.658 176.117 -0.068 0.000 1.104 180 I CA 1.229 62.503 61.300 -0.043 0.000 1.397 180 I CB -0.085 37.892 38.000 -0.039 0.000 1.072 180 I HN 0.065 nan 8.210 nan 0.000 0.417 181 Q N 1.159 120.914 119.800 -0.075 0.000 2.230 181 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 181 Q C 1.835 177.738 176.000 -0.162 0.000 0.963 181 Q CA 1.498 57.233 55.803 -0.112 0.000 0.866 181 Q CB -0.372 28.314 28.738 -0.087 0.000 0.931 181 Q HN 0.280 nan 8.270 nan 0.000 0.452 182 K N -0.316 120.019 120.400 -0.109 0.000 2.147 182 K HA 0.025 4.345 4.320 -0.000 0.000 0.205 182 K C 0.736 177.251 176.600 -0.141 0.000 1.049 182 K CA 1.054 57.281 56.287 -0.100 0.000 0.936 182 K CB -0.077 32.415 32.500 -0.013 0.000 0.722 182 K HN 0.511 nan 8.250 nan 0.000 0.446 183 G N -0.373 108.367 108.800 -0.100 0.000 2.174 183 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.140 183 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.140 183 G C -0.170 174.788 174.900 0.097 0.000 1.031 183 G CA -0.244 44.813 45.100 -0.071 0.000 0.728 183 G HN 0.384 nan 8.290 nan 0.000 0.496 184 A N 0.556 123.408 122.820 0.052 0.000 2.425 184 A HA 0.649 4.969 4.320 -0.000 0.000 0.249 184 A C 1.656 179.262 177.584 0.037 0.000 1.084 184 A CA 1.287 53.355 52.037 0.051 0.000 0.781 184 A CB 0.359 19.367 19.000 0.014 0.000 1.019 184 A HN 1.322 nan 8.150 nan 0.000 0.490 185 T N -0.845 113.743 114.554 0.057 0.000 3.067 185 T HA 0.153 4.503 4.350 -0.000 0.000 0.257 185 T C 0.581 175.231 174.700 -0.084 0.000 1.105 185 T CA 0.931 63.068 62.100 0.061 0.000 1.104 185 T CB -0.173 68.824 68.868 0.215 0.000 0.925 185 T HN 0.902 nan 8.240 nan 0.000 0.498 186 Q N -0.117 119.587 119.800 -0.161 0.000 2.648 186 Q HA 0.528 4.868 4.340 -0.000 0.000 0.300 186 Q C -1.582 174.278 176.000 -0.233 0.000 0.954 186 Q CA -1.079 54.495 55.803 -0.382 0.000 0.757 186 Q CB 1.151 29.462 28.738 -0.711 0.000 1.482 186 Q HN 0.137 nan 8.270 nan 0.000 0.437 190 M N 2.944 122.706 119.600 0.271 0.000 2.055 190 M HA 0.481 4.961 4.480 -0.000 0.000 0.346 190 M C 0.547 177.070 176.300 0.371 0.000 1.074 190 M CA -0.311 55.198 55.300 0.348 0.000 1.009 190 M CB 0.716 33.499 32.600 0.304 0.000 1.423 190 M HN 0.924 nan 8.290 nan 0.000 0.410 191 A N 2.482 125.470 122.820 0.281 0.000 2.195 191 A HA 0.274 4.594 4.320 -0.000 0.000 0.210 191 A C 0.945 178.617 177.584 0.148 0.000 1.165 191 A CA 0.704 52.861 52.037 0.200 0.000 0.806 191 A CB 0.252 19.315 19.000 0.104 0.000 0.847 191 A HN 0.747 nan 8.150 nan 0.000 0.482 192 S N -2.222 113.569 115.700 0.151 0.000 2.671 192 S HA 0.651 5.121 4.470 -0.000 0.000 0.277 192 S C 0.219 174.916 174.600 0.161 0.000 1.165 192 S CA -0.159 58.098 58.200 0.095 0.000 0.822 192 S CB 0.688 63.888 63.200 -0.000 0.000 1.150 192 S HN 0.866 nan 8.310 nan 0.000 0.479 193 G N -0.813 108.056 108.800 0.115 0.000 2.569 193 G HA2 0.534 4.494 3.960 -0.000 0.000 0.249 193 G HA3 0.534 4.494 3.960 -0.000 0.000 0.249 193 G C 0.412 175.387 174.900 0.125 0.000 1.216 193 G CA -0.111 45.051 45.100 0.104 0.000 0.845 193 G HN 1.129 nan 8.290 nan 0.000 0.568 194 G N -1.471 107.281 108.800 -0.080 0.000 3.392 194 G HA2 0.435 4.395 3.960 -0.000 0.000 0.185 194 G HA3 0.435 4.395 3.960 -0.000 0.000 0.185 194 G C 0.182 175.134 174.900 0.087 0.000 1.206 194 G CA 0.652 45.696 45.100 -0.093 0.000 0.776 194 G HN 0.714 nan 8.290 nan 0.000 0.697 195 V N -0.317 119.740 119.914 0.239 0.000 3.177 195 V HA 0.380 4.500 4.120 -0.000 0.000 0.219 195 V C 1.999 178.249 176.094 0.261 0.000 1.344 195 V CA 1.008 63.435 62.300 0.212 0.000 1.324 195 V CB 0.605 32.552 31.823 0.207 0.000 1.165 195 V HN 0.688 nan 8.190 nan 0.000 0.510 196 A N 1.311 124.347 122.820 0.360 0.000 2.579 196 A HA 0.548 4.868 4.320 -0.000 0.000 0.273 196 A C 0.612 178.362 177.584 0.278 0.000 1.363 196 A CA 0.591 52.775 52.037 0.245 0.000 0.953 196 A CB -0.628 18.475 19.000 0.172 0.000 1.034 196 A HN 0.589 nan 8.150 nan 0.000 0.536 197 S N -1.451 114.412 115.700 0.273 0.000 2.548 197 S HA 0.672 5.142 4.470 -0.000 0.000 0.286 197 S C -2.181 172.512 174.600 0.155 0.000 1.098 197 S CA -1.184 57.139 58.200 0.205 0.000 0.930 197 S CB 2.147 65.358 63.200 0.019 0.000 1.070 197 S HN 0.049 nan 8.310 nan 0.000 0.480 198 P HA -0.035 nan 4.420 nan 0.000 0.214 198 P C 1.514 178.848 177.300 0.056 0.000 1.162 198 P CA 1.930 65.081 63.100 0.085 0.000 0.871 198 P CB -0.511 31.237 31.700 0.079 0.000 0.783 199 T N -2.940 111.635 114.554 0.035 0.000 3.081 199 T HA 0.005 4.355 4.350 -0.000 0.000 0.255 199 T C 0.536 175.250 174.700 0.023 0.000 1.113 199 T CA -0.136 61.976 62.100 0.020 0.000 1.082 199 T CB -0.761 68.108 68.868 0.001 0.000 0.939 199 T HN 0.158 nan 8.240 nan 0.000 0.506 200 D N 2.093 122.518 120.400 0.042 0.000 2.233 200 D HA 0.408 5.047 4.640 -0.000 0.000 0.240 200 D C -3.118 173.210 176.300 0.047 0.000 1.074 200 D CA -2.202 51.825 54.000 0.045 0.000 0.838 200 D CB 1.808 42.646 40.800 0.064 0.000 1.124 200 D HN 0.115 nan 8.370 nan 0.000 0.475 201 P HA 0.190 nan 4.420 nan 0.000 0.276 201 P C 1.056 178.362 177.300 0.010 0.000 1.244 201 P CA -0.678 62.428 63.100 0.010 0.000 0.801 201 P CB 1.402 33.101 31.700 -0.001 0.000 1.006 202 I N 1.186 121.743 120.570 -0.021 0.000 2.252 202 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 202 I C 1.596 177.704 176.117 -0.014 0.000 1.102 202 I CA 1.578 62.854 61.300 -0.041 0.000 1.385 202 I CB -0.291 37.599 38.000 -0.183 0.000 1.064 202 I HN 0.298 nan 8.210 nan 0.000 0.414 203 A N 1.727 124.529 122.820 -0.030 0.000 2.209 203 A HA -0.070 4.250 4.320 -0.000 0.000 0.212 203 A C 0.823 178.409 177.584 0.003 0.000 1.158 203 A CA 0.653 52.679 52.037 -0.018 0.000 0.742 203 A CB -0.960 18.021 19.000 -0.031 0.000 0.790 203 A HN 0.773 nan 8.150 nan 0.000 0.472 204 N N 0.086 118.793 118.700 0.012 0.000 2.466 204 N HA 0.306 5.046 4.740 -0.000 0.000 0.294 204 N C -0.215 175.315 175.510 0.032 0.000 1.129 204 N CA 0.202 53.262 53.050 0.018 0.000 0.931 204 N CB 0.995 39.488 38.487 0.011 0.000 1.193 204 N HN 0.109 nan 8.380 nan 0.000 0.500 205 T N -1.510 113.064 114.554 0.032 0.000 2.849 205 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 205 T C -0.135 174.596 174.700 0.052 0.000 1.004 205 T CA -0.433 61.696 62.100 0.048 0.000 1.021 205 T CB 1.178 70.074 68.868 0.046 0.000 1.013 205 T HN 0.611 nan 8.240 nan 0.000 0.527 206 Q N 0.222 120.073 119.800 0.086 0.000 2.413 206 Q HA 0.542 4.882 4.340 -0.000 0.000 0.276 206 Q C -1.599 174.500 176.000 0.164 0.000 1.099 206 Q CA -0.971 54.869 55.803 0.062 0.000 0.814 206 Q CB 2.097 30.872 28.738 0.061 0.000 1.379 206 Q HN 0.818 nan 8.270 nan 0.000 0.436 207 Y N -0.865 119.450 120.300 0.024 0.000 2.529 207 Y HA -0.292 4.258 4.550 -0.000 0.000 0.022 207 Y C 0.185 176.094 175.900 0.015 0.000 1.725 207 Y CA 0.449 58.561 58.100 0.019 0.000 1.403 207 Y CB -0.530 37.944 38.460 0.023 0.000 2.050 207 Y HN 0.747 nan 8.280 nan 0.000 0.257 208 S N 1.386 117.201 115.700 0.192 0.000 2.624 208 S HA 0.241 4.711 4.470 -0.000 0.000 0.263 208 S C 0.840 175.504 174.600 0.107 0.000 1.287 208 S CA -0.141 58.128 58.200 0.114 0.000 0.990 208 S CB 1.481 64.730 63.200 0.081 0.000 0.950 208 S HN 0.686 nan 8.310 nan 0.000 0.561 209 E N 0.495 120.734 120.200 0.065 0.000 2.204 209 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 209 E C 0.871 177.492 176.600 0.034 0.000 0.989 209 E CA 1.229 57.656 56.400 0.043 0.000 0.824 209 E CB -0.236 29.483 29.700 0.031 0.000 0.756 209 E HN 0.686 nan 8.360 nan 0.000 0.477 210 D N 0.773 121.197 120.400 0.040 0.000 2.224 210 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 210 D C 1.608 177.927 176.300 0.031 0.000 0.965 210 D CA 0.761 54.780 54.000 0.032 0.000 0.852 210 D CB 0.042 40.861 40.800 0.032 0.000 0.947 210 D HN 0.195 nan 8.370 nan 0.000 0.494 211 E N -0.009 120.225 120.200 0.056 0.000 2.028 211 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 211 E C 2.159 178.727 176.600 -0.054 0.000 0.984 211 E CA 0.544 56.974 56.400 0.049 0.000 0.800 211 E CB 0.035 29.862 29.700 0.210 0.000 0.758 211 E HN 0.278 nan 8.360 nan 0.000 0.448 212 I N 0.793 121.328 120.570 -0.059 0.000 2.208 212 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 212 I C 2.472 178.553 176.117 -0.059 0.000 1.097 212 I CA 1.175 62.414 61.300 -0.101 0.000 1.363 212 I CB -0.383 37.585 38.000 -0.052 0.000 1.051 212 I HN 0.044 nan 8.210 nan 0.000 0.413 213 R N 0.853 121.338 120.500 -0.024 0.000 2.096 213 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 213 R C 2.471 178.762 176.300 -0.015 0.000 1.127 213 R CA 1.484 57.578 56.100 -0.011 0.000 0.968 213 R CB -0.408 29.895 30.300 0.004 0.000 0.861 213 R HN 0.403 nan 8.270 nan 0.000 0.440 214 A N 0.989 123.797 122.820 -0.020 0.000 1.930 214 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 214 A C 2.099 179.663 177.584 -0.033 0.000 1.175 214 A CA 1.061 53.087 52.037 -0.018 0.000 0.627 214 A CB -0.330 18.664 19.000 -0.010 0.000 0.815 214 A HN 0.157 nan 8.150 nan 0.000 0.443 215 I N -0.728 119.805 120.570 -0.062 0.000 2.163 215 I HA -0.202 3.968 4.170 -0.000 0.000 0.240 215 I C 2.383 178.469 176.117 -0.051 0.000 1.081 215 I CA 1.049 62.301 61.300 -0.079 0.000 1.353 215 I CB -0.347 37.565 38.000 -0.146 0.000 1.054 215 I HN 0.141 nan 8.210 nan 0.000 0.407 216 V N 0.835 120.726 119.914 -0.038 0.000 2.287 216 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 216 V C 2.083 178.177 176.094 0.001 0.000 1.053 216 V CA 2.161 64.455 62.300 -0.009 0.000 1.027 216 V CB -0.634 31.190 31.823 0.002 0.000 0.646 216 V HN 0.422 nan 8.190 nan 0.000 0.447 217 D N -0.672 119.726 120.400 -0.003 0.000 2.144 217 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 217 D C 2.282 178.582 176.300 -0.000 0.000 0.984 217 D CA 0.907 54.909 54.000 0.003 0.000 0.834 217 D CB -0.105 40.697 40.800 0.002 0.000 0.955 217 D HN 0.407 nan 8.370 nan 0.000 0.465 218 E N 0.279 120.473 120.200 -0.010 0.000 2.170 218 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 218 E C 2.006 178.597 176.600 -0.015 0.000 0.981 218 E CA 0.392 56.784 56.400 -0.013 0.000 0.830 218 E CB -0.125 29.564 29.700 -0.019 0.000 0.775 218 E HN 0.178 nan 8.360 nan 0.000 0.470 219 A N 1.583 124.391 122.820 -0.019 0.000 1.873 219 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 219 A C 2.020 179.606 177.584 0.003 0.000 1.186 219 A CA 1.335 53.359 52.037 -0.022 0.000 0.616 219 A CB -0.413 18.567 19.000 -0.033 0.000 0.823 219 A HN 0.158 nan 8.150 nan 0.000 0.442 220 E N -0.310 119.902 120.200 0.020 0.000 2.204 220 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 220 E C 2.104 178.719 176.600 0.023 0.000 0.990 220 E CA 0.806 57.226 56.400 0.034 0.000 0.821 220 E CB -0.237 29.485 29.700 0.037 0.000 0.750 220 E HN 0.615 nan 8.360 nan 0.000 0.477 221 A N 0.913 123.740 122.820 0.012 0.000 2.119 221 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 221 A C 1.970 179.558 177.584 0.006 0.000 1.153 221 A CA 1.199 53.240 52.037 0.008 0.000 0.692 221 A CB 0.025 19.027 19.000 0.002 0.000 0.799 221 A HN 0.199 nan 8.150 nan 0.000 0.458 222 A N -0.694 122.129 122.820 0.005 0.000 2.574 222 A HA 0.388 4.708 4.320 -0.000 0.000 0.283 222 A C 0.433 178.027 177.584 0.016 0.000 1.270 222 A CA 0.018 52.056 52.037 0.003 0.000 0.945 222 A CB -0.250 18.744 19.000 -0.010 0.000 1.127 222 A HN 0.380 nan 8.150 nan 0.000 0.522 223 N N 0.026 118.743 118.700 0.028 0.000 2.725 223 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 223 N C 0.101 175.652 175.510 0.068 0.000 1.103 223 N CA 1.704 54.782 53.050 0.047 0.000 0.707 223 N CB -1.694 36.819 38.487 0.045 0.000 1.043 223 N HN 0.642 nan 8.380 nan 0.000 0.553 224 T N -1.620 112.967 114.554 0.055 0.000 2.693 224 T HA 0.731 5.081 4.350 -0.000 0.000 0.278 224 T C -0.839 173.923 174.700 0.103 0.000 0.994 224 T CA -0.533 61.602 62.100 0.058 0.000 1.033 224 T CB 1.259 70.079 68.868 -0.080 0.000 1.342 224 T HN 0.200 nan 8.240 nan 0.000 0.538 225 Y N -1.380 118.923 120.300 0.005 0.000 2.773 225 Y HA 0.871 5.420 4.550 -0.000 0.000 0.323 225 Y C -1.294 174.606 175.900 0.001 0.000 1.183 225 Y CA -1.287 56.818 58.100 0.007 0.000 1.144 225 Y CB 0.658 39.126 38.460 0.013 0.000 1.340 225 Y HN 0.316 nan 8.280 nan 0.000 0.531 226 V N 3.229 123.246 119.914 0.173 0.000 2.487 226 V HA 0.364 4.484 4.120 -0.000 0.000 0.298 226 V C -0.251 175.947 176.094 0.174 0.000 1.028 226 V CA -0.958 61.377 62.300 0.058 0.000 0.860 226 V CB 1.405 33.241 31.823 0.023 0.000 0.991 226 V HN 0.808 nan 8.190 nan 0.000 0.427 227 M N 3.487 123.152 119.600 0.109 0.000 2.264 227 M HA 0.924 5.404 4.480 -0.000 0.000 0.352 227 M C -0.332 176.032 176.300 0.107 0.000 1.173 227 M CA -0.321 55.065 55.300 0.143 0.000 1.075 227 M CB 1.572 34.257 32.600 0.142 0.000 1.621 227 M HN 0.570 nan 8.290 nan 0.000 0.457 228 A N 1.714 124.603 122.820 0.116 0.000 2.356 228 A HA 0.496 4.816 4.320 -0.000 0.000 0.310 228 A C -1.342 176.337 177.584 0.158 0.000 1.075 228 A CA -0.681 51.427 52.037 0.119 0.000 0.746 228 A CB 0.622 19.664 19.000 0.069 0.000 1.221 228 A HN 0.975 nan 8.150 nan 0.000 0.443 229 H N 1.929 121.073 119.070 0.123 0.000 2.878 229 H HA 0.606 5.162 4.556 -0.000 0.000 0.290 229 H C -0.159 175.175 175.328 0.009 0.000 1.065 229 H CA 0.785 56.908 56.048 0.125 0.000 1.477 229 H CB 0.498 30.381 29.762 0.203 0.000 1.484 229 H HN 0.888 nan 8.280 nan 0.000 0.504 230 A N 4.929 127.476 122.820 -0.455 0.000 2.517 230 A HA 0.371 4.691 4.320 -0.000 0.000 0.297 230 A C -1.373 175.970 177.584 -0.401 0.000 1.050 230 A CA -0.711 51.105 52.037 -0.369 0.000 0.694 230 A CB 0.547 19.481 19.000 -0.111 0.000 1.277 230 A HN 0.695 nan 8.150 nan 0.000 0.400 231 Y N 1.032 121.211 120.300 -0.202 0.000 2.439 231 Y HA 0.163 4.713 4.550 -0.000 0.000 0.281 231 Y C 2.121 177.977 175.900 -0.074 0.000 1.145 231 Y CA 1.522 59.538 58.100 -0.139 0.000 1.252 231 Y CB -0.180 38.174 38.460 -0.177 0.000 1.271 231 Y HN 0.750 nan 8.280 nan 0.000 0.516 232 T N -1.492 113.130 114.554 0.114 0.000 2.868 232 T HA 0.306 4.656 4.350 -0.000 0.000 0.292 232 T C 1.599 176.318 174.700 0.032 0.000 1.028 232 T CA -0.066 62.063 62.100 0.047 0.000 1.059 232 T CB 1.331 70.211 68.868 0.021 0.000 0.991 232 T HN 0.391 nan 8.240 nan 0.000 0.531 233 G N 0.304 109.114 108.800 0.016 0.000 2.422 233 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 233 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 233 G C 1.539 176.447 174.900 0.013 0.000 1.146 233 G CA 0.746 45.854 45.100 0.015 0.000 0.769 233 G HN 0.870 nan 8.290 nan 0.000 0.547 234 R N 0.615 121.120 120.500 0.009 0.000 2.080 234 R HA -0.046 4.294 4.340 -0.000 0.000 0.236 234 R C 2.789 179.096 176.300 0.011 0.000 1.137 234 R CA 1.742 57.847 56.100 0.009 0.000 0.943 234 R CB -0.476 29.828 30.300 0.007 0.000 0.846 234 R HN 0.269 nan 8.270 nan 0.000 0.431 235 A N 0.596 123.425 122.820 0.014 0.000 1.969 235 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 235 A C 2.128 179.717 177.584 0.008 0.000 1.169 235 A CA 1.184 53.230 52.037 0.015 0.000 0.635 235 A CB -0.339 18.671 19.000 0.016 0.000 0.810 235 A HN 0.391 nan 8.150 nan 0.000 0.445 236 I N -0.521 120.054 120.570 0.008 0.000 2.193 236 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 236 I C 3.004 179.115 176.117 -0.010 0.000 1.084 236 I CA 0.877 62.181 61.300 0.006 0.000 1.365 236 I CB -0.422 37.597 38.000 0.033 0.000 1.064 236 I HN 0.327 nan 8.210 nan 0.000 0.410 237 A N 1.996 124.812 122.820 -0.007 0.000 1.884 237 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 237 A C 2.296 179.851 177.584 -0.049 0.000 1.197 237 A CA 2.790 54.812 52.037 -0.026 0.000 0.637 237 A CB -0.937 18.060 19.000 -0.005 0.000 0.827 237 A HN 0.527 nan 8.150 nan 0.000 0.450 238 R N -0.110 120.376 120.500 -0.022 0.000 2.091 238 R HA 0.060 4.400 4.340 -0.000 0.000 0.238 238 R C 2.189 178.472 176.300 -0.029 0.000 1.136 238 R CA 1.694 57.783 56.100 -0.017 0.000 0.959 238 R CB -0.932 29.371 30.300 0.006 0.000 0.856 238 R HN 0.376 nan 8.270 nan 0.000 0.437 239 A N 1.285 124.090 122.820 -0.024 0.000 1.902 239 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 239 A C 2.435 179.985 177.584 -0.058 0.000 1.181 239 A CA 1.590 53.613 52.037 -0.024 0.000 0.623 239 A CB -0.549 18.448 19.000 -0.005 0.000 0.818 239 A HN 0.168 nan 8.150 nan 0.000 0.443 240 V N -0.306 119.546 119.914 -0.103 0.000 2.453 240 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 240 V C 2.570 178.450 176.094 -0.357 0.000 1.048 240 V CA 2.034 64.215 62.300 -0.199 0.000 1.049 240 V CB -0.782 30.908 31.823 -0.222 0.000 0.672 240 V HN 0.588 nan 8.190 nan 0.000 0.457 241 R N -0.773 119.545 120.500 -0.303 0.000 2.115 241 R HA -0.144 4.196 4.340 -0.000 0.000 0.230 241 R C 2.212 178.472 176.300 -0.067 0.000 1.111 241 R CA 1.727 57.692 56.100 -0.226 0.000 0.976 241 R CB -0.401 29.847 30.300 -0.087 0.000 0.870 241 R HN 0.521 nan 8.270 nan 0.000 0.445 242 C N -1.307 117.962 119.300 -0.052 0.000 2.446 242 C HA 0.172 4.632 4.460 -0.000 0.000 0.279 242 C C 1.558 176.547 174.990 -0.001 0.000 1.366 242 C CA 0.944 59.954 59.018 -0.013 0.000 1.763 242 C CB -0.054 27.678 27.740 -0.013 0.000 1.929 242 C HN 0.818 nan 8.230 nan 0.000 0.509 243 G N -0.174 108.618 108.800 -0.014 0.000 2.174 243 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.140 243 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.140 243 G C 0.049 174.968 174.900 0.032 0.000 1.031 243 G CA 0.115 45.227 45.100 0.021 0.000 0.728 243 G HN 0.795 nan 8.290 nan 0.000 0.496 244 V N -0.977 118.946 119.914 0.016 0.000 2.811 244 V HA 0.667 4.786 4.120 -0.000 0.000 0.302 244 V C 1.440 177.579 176.094 0.074 0.000 1.063 244 V CA 0.653 62.986 62.300 0.054 0.000 1.088 244 V CB 1.512 33.361 31.823 0.043 0.000 0.982 244 V HN 0.369 nan 8.190 nan 0.000 0.485 245 R N 2.340 122.922 120.500 0.137 0.000 2.105 245 R HA 0.144 4.484 4.340 -0.000 0.000 0.214 245 R C 0.922 177.328 176.300 0.177 0.000 1.091 245 R CA 1.067 57.249 56.100 0.138 0.000 1.007 245 R CB 0.085 30.444 30.300 0.098 0.000 0.912 245 R HN 1.003 nan 8.270 nan 0.000 0.450 246 T N -1.167 113.486 114.554 0.164 0.000 2.841 246 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 246 T C -0.257 174.497 174.700 0.090 0.000 1.000 246 T CA -0.917 61.265 62.100 0.137 0.000 0.977 246 T CB 1.700 70.613 68.868 0.075 0.000 0.979 246 T HN -0.093 nan 8.240 nan 0.000 0.446 247 I N 3.110 123.705 120.570 0.042 0.000 2.354 247 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 247 I C 0.243 176.347 176.117 -0.021 0.000 0.989 247 I CA -0.694 60.614 61.300 0.013 0.000 1.188 247 I CB 1.641 39.638 38.000 -0.005 0.000 1.342 247 I HN 0.746 nan 8.210 nan 0.000 0.457 248 E N 6.380 126.577 120.200 -0.005 0.000 2.313 248 E HA 0.276 4.626 4.350 -0.000 0.000 0.272 248 E C 0.622 177.121 176.600 -0.169 0.000 1.038 248 E CA -0.281 56.043 56.400 -0.126 0.000 0.863 248 E CB 0.902 30.603 29.700 0.001 0.000 1.060 248 E HN 0.532 nan 8.360 nan 0.000 0.402 249 H N 1.774 120.743 119.070 -0.169 0.000 1.551 249 H HA -0.307 4.249 4.556 -0.000 0.000 0.090 249 H C 1.055 176.374 175.328 -0.015 0.000 0.602 249 H CA 1.585 57.569 56.048 -0.106 0.000 1.891 249 H CB -1.391 28.210 29.762 -0.268 0.000 2.242 249 H HN 0.846 nan 8.280 nan 0.000 0.959 250 G N 1.820 110.671 108.800 0.085 0.000 2.221 250 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.265 250 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.265 250 G C 0.650 175.695 174.900 0.241 0.000 1.041 250 G CA 1.159 46.362 45.100 0.170 0.000 0.807 250 G HN 0.612 nan 8.290 nan 0.000 0.502 251 N N -0.303 118.552 118.700 0.259 0.000 2.205 251 N HA -0.020 4.720 4.740 -0.000 0.000 0.186 251 N C 1.557 177.087 175.510 0.034 0.000 1.015 251 N CA 1.322 54.456 53.050 0.141 0.000 0.862 251 N CB -0.105 38.425 38.487 0.071 0.000 0.986 251 N HN 0.609 nan 8.380 nan 0.000 0.429 252 L N 0.702 121.961 121.223 0.060 0.000 3.096 252 L HA 0.339 4.679 4.340 -0.000 0.000 0.247 252 L C -0.452 176.406 176.870 -0.019 0.000 1.321 252 L CA -0.617 54.215 54.840 -0.014 0.000 1.044 252 L CB 0.080 42.121 42.059 -0.030 0.000 1.434 252 L HN -0.136 nan 8.230 nan 0.000 0.533 253 V N -2.173 117.711 119.914 -0.050 0.000 2.811 253 V HA 0.275 4.395 4.120 -0.000 0.000 0.302 253 V C -0.011 176.027 176.094 -0.093 0.000 1.063 253 V CA -0.714 61.545 62.300 -0.069 0.000 1.088 253 V CB 0.724 32.450 31.823 -0.161 0.000 0.982 253 V HN 0.493 nan 8.190 nan 0.000 0.485 254 D N 1.671 122.036 120.400 -0.058 0.000 2.228 254 D HA 0.334 4.974 4.640 -0.000 0.000 0.247 254 D C 0.855 177.124 176.300 -0.053 0.000 0.995 254 D CA -0.638 53.328 54.000 -0.058 0.000 0.903 254 D CB 1.114 41.893 40.800 -0.035 0.000 1.205 254 D HN 0.667 nan 8.370 nan 0.000 0.459 255 E N 0.813 120.980 120.200 -0.055 0.000 2.338 255 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 255 E C 1.554 178.146 176.600 -0.013 0.000 1.007 255 E CA 0.798 57.173 56.400 -0.042 0.000 0.849 255 E CB -0.297 29.374 29.700 -0.047 0.000 0.774 255 E HN 0.526 nan 8.360 nan 0.000 0.506 256 A N 1.933 124.749 122.820 -0.008 0.000 1.898 256 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 256 A C 2.485 180.083 177.584 0.025 0.000 1.181 256 A CA 1.771 53.812 52.037 0.007 0.000 0.620 256 A CB -0.517 18.485 19.000 0.004 0.000 0.819 256 A HN 0.385 nan 8.150 nan 0.000 0.442 257 A N -0.294 122.540 122.820 0.023 0.000 1.897 257 A HA 0.296 4.616 4.320 -0.000 0.000 0.215 257 A C 2.471 180.099 177.584 0.073 0.000 1.181 257 A CA 1.686 53.747 52.037 0.040 0.000 0.620 257 A CB -0.926 18.095 19.000 0.034 0.000 0.821 257 A HN 0.979 nan 8.150 nan 0.000 0.443 258 A N -0.224 122.644 122.820 0.080 0.000 1.933 258 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 258 A C 2.129 179.787 177.584 0.124 0.000 1.175 258 A CA 1.838 53.958 52.037 0.138 0.000 0.628 258 A CB -0.437 18.631 19.000 0.113 0.000 0.814 258 A HN 0.478 nan 8.150 nan 0.000 0.444 259 K N -0.760 119.687 120.400 0.077 0.000 2.032 259 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 259 K C 1.896 178.575 176.600 0.132 0.000 1.048 259 K CA 1.665 57.997 56.287 0.076 0.000 0.927 259 K CB -0.303 32.221 32.500 0.040 0.000 0.712 259 K HN 0.398 nan 8.250 nan 0.000 0.441 260 L N 0.814 122.112 121.223 0.124 0.000 2.093 260 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 260 L C 2.440 179.449 176.870 0.231 0.000 1.085 260 L CA 1.215 56.161 54.840 0.177 0.000 0.755 260 L CB -0.133 41.998 42.059 0.119 0.000 0.904 260 L HN 0.252 nan 8.230 nan 0.000 0.435 261 M N -1.773 117.912 119.600 0.141 0.000 2.086 261 M HA -0.282 4.198 4.480 -0.000 0.000 0.261 261 M C 2.326 178.686 176.300 0.101 0.000 1.067 261 M CA 1.893 57.252 55.300 0.098 0.000 1.116 261 M CB -0.428 32.222 32.600 0.083 0.000 1.348 261 M HN 0.367 nan 8.290 nan 0.000 0.407 262 H N 0.105 119.193 119.070 0.030 0.000 2.352 262 H HA -0.157 4.398 4.556 -0.000 0.000 0.299 262 H C 1.722 177.044 175.328 -0.011 0.000 1.097 262 H CA 2.202 58.244 56.048 -0.010 0.000 1.311 262 H CB 0.119 29.882 29.762 0.002 0.000 1.377 262 H HN 0.401 nan 8.280 nan 0.000 0.504 263 E N -1.118 119.143 120.200 0.101 0.000 2.110 263 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 263 E C 1.487 178.005 176.600 -0.137 0.000 0.988 263 E CA 1.311 57.703 56.400 -0.013 0.000 0.804 263 E CB 0.050 29.759 29.700 0.015 0.000 0.745 263 E HN 0.691 nan 8.360 nan 0.000 0.458 264 H N -1.337 117.690 119.070 -0.072 0.000 2.551 264 H HA 0.214 4.770 4.556 -0.000 0.000 0.266 264 H C 0.814 176.062 175.328 -0.132 0.000 0.964 264 H CA 0.669 56.670 56.048 -0.078 0.000 1.180 264 H CB 0.824 30.559 29.762 -0.045 0.000 1.408 264 H HN 0.232 nan 8.280 nan 0.000 0.563 265 G N 0.332 109.063 108.800 -0.115 0.000 2.289 265 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.280 265 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.280 265 G C 0.015 174.724 174.900 -0.319 0.000 1.089 265 G CA 0.154 45.099 45.100 -0.259 0.000 0.939 265 G HN 0.666 nan 8.290 nan 0.000 0.499 266 A N -0.367 122.308 122.820 -0.241 0.000 2.312 266 A HA 0.905 5.225 4.320 -0.000 0.000 0.326 266 A C 0.048 177.449 177.584 -0.304 0.000 1.172 266 A CA -0.618 51.298 52.037 -0.201 0.000 0.821 266 A CB 0.866 19.832 19.000 -0.057 0.000 1.166 266 A HN 0.584 nan 8.150 nan 0.000 0.493 267 F N 0.726 120.616 119.950 -0.100 0.000 2.380 267 F HA 0.582 5.109 4.527 -0.000 0.000 0.319 267 F C 0.383 176.079 175.800 -0.173 0.000 1.113 267 F CA -0.435 57.486 58.000 -0.132 0.000 1.056 267 F CB 1.493 40.410 39.000 -0.138 0.000 1.289 267 F HN 0.280 nan 8.300 nan 0.000 0.515 268 V N 1.247 121.137 119.914 -0.039 0.000 2.735 268 V HA 0.466 4.586 4.120 -0.000 0.000 0.310 268 V C -0.864 175.145 176.094 -0.143 0.000 1.061 268 V CA -0.896 61.278 62.300 -0.210 0.000 0.913 268 V CB 1.956 33.381 31.823 -0.664 0.000 1.005 268 V HN 0.459 nan 8.190 nan 0.000 0.428 269 V N 5.324 125.157 119.914 -0.134 0.000 2.266 269 V HA 0.337 4.457 4.120 -0.000 0.000 0.271 269 V C -2.474 173.503 176.094 -0.195 0.000 1.032 269 V CA -1.730 60.485 62.300 -0.140 0.000 0.806 269 V CB 1.203 32.966 31.823 -0.100 0.000 1.052 269 V HN 0.723 nan 8.190 nan 0.000 0.449 270 P HA 0.254 nan 4.420 nan 0.000 0.271 270 P C 0.277 177.482 177.300 -0.158 0.000 1.218 270 P CA 0.123 63.179 63.100 -0.074 0.000 0.780 270 P CB 0.531 32.238 31.700 0.011 0.000 0.901 271 T N -1.357 113.157 114.554 -0.066 0.000 3.732 271 T HA 0.294 4.644 4.350 -0.000 0.000 0.234 271 T C 0.838 175.563 174.700 0.042 0.000 1.146 271 T CA -0.418 61.600 62.100 -0.137 0.000 1.454 271 T CB -1.072 67.622 68.868 -0.291 0.000 0.910 271 T HN 0.073 nan 8.240 nan 0.000 0.640 272 L N 0.125 121.405 121.223 0.095 0.000 2.201 272 L HA 0.032 4.372 4.340 -0.000 0.000 0.212 272 L C 2.666 179.632 176.870 0.160 0.000 1.105 272 L CA 0.543 55.542 54.840 0.265 0.000 0.775 272 L CB -0.465 41.678 42.059 0.141 0.000 0.913 272 L HN 0.408 nan 8.230 nan 0.000 0.440 273 V N -0.501 119.413 119.914 -0.000 0.000 2.594 273 V HA -0.291 3.829 4.120 -0.000 0.000 0.253 273 V C 2.548 178.606 176.094 -0.060 0.000 1.069 273 V CA 2.418 64.707 62.300 -0.018 0.000 1.082 273 V CB -0.073 31.744 31.823 -0.009 0.000 0.680 273 V HN 0.516 nan 8.190 nan 0.000 0.469 274 T N -1.293 113.167 114.554 -0.157 0.000 2.951 274 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 274 T C 1.505 176.060 174.700 -0.242 0.000 1.073 274 T CA 1.546 63.508 62.100 -0.229 0.000 1.134 274 T CB -0.258 68.428 68.868 -0.302 0.000 0.884 274 T HN 0.690 nan 8.240 nan 0.000 0.479 275 Y N 1.226 121.541 120.300 0.025 0.000 2.395 275 Y HA 0.103 4.653 4.550 -0.000 0.000 0.293 275 Y C 2.353 178.234 175.900 -0.031 0.000 1.123 275 Y CA 0.433 58.539 58.100 0.009 0.000 1.227 275 Y CB -0.207 38.264 38.460 0.018 0.000 1.012 275 Y HN 0.238 nan 8.280 nan 0.000 0.552 276 D N -0.373 120.067 120.400 0.067 0.000 2.194 276 D HA -0.022 4.618 4.640 -0.000 0.000 0.204 276 D C 2.198 178.426 176.300 -0.121 0.000 0.964 276 D CA 1.106 55.089 54.000 -0.029 0.000 0.846 276 D CB -0.232 40.541 40.800 -0.043 0.000 0.962 276 D HN 0.315 nan 8.370 nan 0.000 0.490 277 A N 0.606 123.346 122.820 -0.133 0.000 1.929 277 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 277 A C 2.206 179.781 177.584 -0.015 0.000 1.176 277 A CA 0.624 52.580 52.037 -0.135 0.000 0.628 277 A CB -0.570 18.372 19.000 -0.097 0.000 0.816 277 A HN 0.180 nan 8.150 nan 0.000 0.444 278 L N -0.814 120.407 121.223 -0.004 0.000 2.478 278 L HA -0.012 4.327 4.340 -0.000 0.000 0.223 278 L C 2.780 179.638 176.870 -0.021 0.000 1.140 278 L CA 0.511 55.365 54.840 0.022 0.000 0.842 278 L CB -0.297 41.790 42.059 0.046 0.000 0.953 278 L HN 0.430 nan 8.230 nan 0.000 0.452 279 A N 0.234 123.021 122.820 -0.054 0.000 1.968 279 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 279 A C 2.232 179.716 177.584 -0.165 0.000 1.169 279 A CA 1.443 53.431 52.037 -0.081 0.000 0.638 279 A CB -0.046 18.914 19.000 -0.066 0.000 0.812 279 A HN 0.230 nan 8.150 nan 0.000 0.446 280 K N -1.235 118.982 120.400 -0.305 0.000 2.262 280 K HA 0.132 4.452 4.320 -0.000 0.000 0.200 280 K C 0.381 176.609 176.600 -0.620 0.000 1.058 280 K CA 0.866 56.819 56.287 -0.557 0.000 0.974 280 K CB 0.277 32.237 32.500 -0.899 0.000 0.910 280 K HN 0.532 nan 8.250 nan 0.000 0.484 281 H N -0.889 118.131 119.070 -0.083 0.000 2.528 281 H HA 0.330 4.886 4.556 -0.000 0.000 0.256 281 H C 0.847 176.143 175.328 -0.052 0.000 1.204 281 H CA -0.015 55.942 56.048 -0.153 0.000 0.955 281 H CB 0.583 30.259 29.762 -0.144 0.000 1.817 281 H HN 0.231 nan 8.280 nan 0.000 0.579 282 G N 0.934 109.742 108.800 0.014 0.000 2.605 282 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.215 282 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.215 282 G C 1.620 176.549 174.900 0.048 0.000 1.279 282 G CA 0.814 45.943 45.100 0.047 0.000 0.831 282 G HN 0.424 nan 8.290 nan 0.000 0.560 283 A N 0.029 122.855 122.820 0.009 0.000 2.168 283 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 283 A C 2.050 179.632 177.584 -0.003 0.000 1.152 283 A CA 1.778 53.821 52.037 0.010 0.000 0.716 283 A CB -0.309 18.690 19.000 -0.002 0.000 0.794 283 A HN 0.540 nan 8.150 nan 0.000 0.465 284 E N -1.138 119.029 120.200 -0.055 0.000 2.107 284 E HA -0.117 4.232 4.350 -0.000 0.000 0.191 284 E C 0.543 177.090 176.600 -0.089 0.000 0.982 284 E CA 0.864 57.181 56.400 -0.139 0.000 0.809 284 E CB -0.089 29.436 29.700 -0.292 0.000 0.756 284 E HN 0.553 nan 8.360 nan 0.000 0.459 285 F N -0.693 119.292 119.950 0.059 0.000 2.732 285 F HA 0.312 4.839 4.527 -0.000 0.000 0.303 285 F C 1.405 177.217 175.800 0.019 0.000 1.110 285 F CA 0.684 58.708 58.000 0.041 0.000 1.355 285 F CB 1.057 40.088 39.000 0.051 0.000 1.081 285 F HN 0.209 nan 8.300 nan 0.000 0.565 286 G N -0.240 108.664 108.800 0.173 0.000 2.205 286 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.180 286 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.180 286 G C 0.376 175.311 174.900 0.058 0.000 1.004 286 G CA -0.346 44.812 45.100 0.096 0.000 0.670 286 G HN 0.197 nan 8.290 nan 0.000 0.496 287 M N 2.826 122.467 119.600 0.068 0.000 2.216 287 M HA 0.400 4.880 4.480 -0.000 0.000 0.356 287 M C -1.825 174.499 176.300 0.039 0.000 1.205 287 M CA -1.860 53.468 55.300 0.046 0.000 1.122 287 M CB 0.989 33.625 32.600 0.059 0.000 1.571 287 M HN -0.009 nan 8.290 nan 0.000 0.464 288 P HA 0.107 nan 4.420 nan 0.000 0.266 288 P C -2.553 174.766 177.300 0.031 0.000 1.195 288 P CA -0.898 62.221 63.100 0.031 0.000 0.768 288 P CB -0.254 31.468 31.700 0.036 0.000 0.838 289 P HA -0.115 nan 4.420 nan 0.000 0.234 289 P C 1.268 178.578 177.300 0.017 0.000 1.167 289 P CA 1.078 64.187 63.100 0.016 0.000 0.763 289 P CB -0.043 31.663 31.700 0.010 0.000 0.835 290 E N -0.928 119.286 120.200 0.024 0.000 2.318 290 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 290 E C 1.314 177.934 176.600 0.034 0.000 0.998 290 E CA 0.931 57.345 56.400 0.024 0.000 0.859 290 E CB -0.682 29.034 29.700 0.026 0.000 0.812 290 E HN 0.069 nan 8.360 nan 0.000 0.492 291 S N 0.610 116.338 115.700 0.047 0.000 2.436 291 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 291 S C 1.988 176.619 174.600 0.053 0.000 1.014 291 S CA 0.722 58.960 58.200 0.064 0.000 0.950 291 S CB 0.129 63.379 63.200 0.083 0.000 0.784 291 S HN 0.160 nan 8.310 nan 0.000 0.504 292 V N 1.901 121.837 119.914 0.037 0.000 2.809 292 V HA -0.063 4.057 4.120 -0.000 0.000 0.256 292 V C 2.476 178.576 176.094 0.011 0.000 1.080 292 V CA 1.373 63.689 62.300 0.025 0.000 1.102 292 V CB -1.088 30.744 31.823 0.014 0.000 0.705 292 V HN 0.505 nan 8.190 nan 0.000 0.475 293 A N -0.177 122.647 122.820 0.007 0.000 2.015 293 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 293 A C 2.285 179.857 177.584 -0.019 0.000 1.163 293 A CA 1.448 53.481 52.037 -0.007 0.000 0.646 293 A CB -0.267 18.729 19.000 -0.006 0.000 0.806 293 A HN 0.529 nan 8.150 nan 0.000 0.448 294 K N -1.020 119.372 120.400 -0.013 0.000 2.314 294 K HA 0.136 4.456 4.320 -0.000 0.000 0.198 294 K C 1.559 178.124 176.600 -0.058 0.000 1.045 294 K CA 0.561 56.822 56.287 -0.044 0.000 0.988 294 K CB 0.114 32.594 32.500 -0.034 0.000 0.783 294 K HN 0.238 nan 8.250 nan 0.000 0.484 295 V N 1.049 120.964 119.914 0.001 0.000 2.809 295 V HA -0.095 4.025 4.120 -0.000 0.000 0.256 295 V C 1.876 177.965 176.094 -0.010 0.000 1.080 295 V CA 1.582 63.910 62.300 0.047 0.000 1.102 295 V CB -0.075 31.819 31.823 0.118 0.000 0.705 295 V HN 0.293 nan 8.190 nan 0.000 0.475 296 A N -0.184 122.616 122.820 -0.034 0.000 2.119 296 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 296 A C 2.408 179.944 177.584 -0.080 0.000 1.153 296 A CA 1.678 53.686 52.037 -0.048 0.000 0.692 296 A CB -0.373 18.603 19.000 -0.041 0.000 0.799 296 A HN 0.743 nan 8.150 nan 0.000 0.458 297 S N -0.239 115.393 115.700 -0.114 0.000 2.427 297 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 297 S C 1.685 176.165 174.600 -0.199 0.000 1.047 297 S CA 0.994 59.108 58.200 -0.143 0.000 0.953 297 S CB -1.078 62.033 63.200 -0.149 0.000 0.824 297 S HN 0.713 nan 8.310 nan 0.000 0.502 298 V N 1.859 121.598 119.914 -0.292 0.000 2.809 298 V HA -0.096 4.024 4.120 -0.000 0.000 0.256 298 V C 2.577 178.421 176.094 -0.417 0.000 1.080 298 V CA 1.323 63.364 62.300 -0.432 0.000 1.102 298 V CB -1.680 29.715 31.823 -0.714 0.000 0.705 298 V HN 0.712 nan 8.190 nan 0.000 0.475 299 Q N -0.037 119.589 119.800 -0.291 0.000 2.311 299 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 299 Q C 2.045 177.981 176.000 -0.107 0.000 0.954 299 Q CA 0.939 56.644 55.803 -0.163 0.000 0.885 299 Q CB -0.372 28.343 28.738 -0.038 0.000 0.963 299 Q HN 0.581 nan 8.270 nan 0.000 0.471 300 Q N 1.371 121.104 119.800 -0.113 0.000 2.046 300 Q HA -0.063 4.276 4.340 -0.000 0.000 0.200 300 Q C 1.109 177.058 176.000 -0.085 0.000 0.975 300 Q CA 1.281 57.033 55.803 -0.085 0.000 0.836 300 Q CB -0.073 28.615 28.738 -0.082 0.000 0.896 300 Q HN 0.226 nan 8.270 nan 0.000 0.428 301 K N 0.565 120.899 120.400 -0.109 0.000 2.469 301 K HA 0.137 4.457 4.320 -0.000 0.000 0.201 301 K C 1.438 177.980 176.600 -0.096 0.000 1.028 301 K CA 0.266 56.493 56.287 -0.100 0.000 1.170 301 K CB -0.117 32.320 32.500 -0.106 0.000 0.874 301 K HN 0.284 nan 8.250 nan 0.000 0.507 302 G N 0.568 109.309 108.800 -0.098 0.000 2.464 302 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 302 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 302 G C 1.398 176.289 174.900 -0.015 0.000 1.218 302 G CA 0.263 45.323 45.100 -0.067 0.000 0.794 302 G HN 0.255 nan 8.290 nan 0.000 0.542 303 R N 0.250 120.743 120.500 -0.012 0.000 2.115 303 R HA 0.044 4.384 4.340 -0.000 0.000 0.230 303 R C 2.441 178.734 176.300 -0.012 0.000 1.111 303 R CA 1.066 57.168 56.100 0.004 0.000 0.976 303 R CB -0.269 30.034 30.300 0.006 0.000 0.870 303 R HN 0.512 nan 8.270 nan 0.000 0.445 304 E N 0.875 121.053 120.200 -0.037 0.000 2.118 304 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 304 E C 1.763 178.308 176.600 -0.092 0.000 0.992 304 E CA 1.707 58.073 56.400 -0.056 0.000 0.804 304 E CB 0.080 29.741 29.700 -0.064 0.000 0.741 304 E HN 0.351 nan 8.360 nan 0.000 0.458 305 S N 0.042 115.673 115.700 -0.115 0.000 2.423 305 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 305 S C 1.972 176.408 174.600 -0.274 0.000 1.014 305 S CA 0.561 58.613 58.200 -0.246 0.000 0.965 305 S CB -0.269 62.807 63.200 -0.207 0.000 0.785 305 S HN 0.174 nan 8.310 nan 0.000 0.495 306 L N 2.014 123.224 121.223 -0.022 0.000 2.079 306 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 306 L C 2.702 179.610 176.870 0.063 0.000 1.081 306 L CA 1.774 56.687 54.840 0.122 0.000 0.752 306 L CB -0.809 41.315 42.059 0.107 0.000 0.896 306 L HN 0.398 nan 8.230 nan 0.000 0.433 307 E N -0.572 119.621 120.200 -0.011 0.000 2.077 307 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 307 E C 2.246 178.817 176.600 -0.048 0.000 0.989 307 E CA 1.315 57.705 56.400 -0.017 0.000 0.800 307 E CB -0.183 29.499 29.700 -0.029 0.000 0.746 307 E HN 0.488 nan 8.360 nan 0.000 0.452 308 I N 0.316 120.803 120.570 -0.139 0.000 2.454 308 I HA -0.256 3.913 4.170 -0.000 0.000 0.254 308 I C 1.815 177.843 176.117 -0.149 0.000 1.156 308 I CA 0.962 62.148 61.300 -0.190 0.000 1.433 308 I CB -0.268 37.553 38.000 -0.299 0.000 1.082 308 I HN 0.096 nan 8.210 nan 0.000 0.432 309 Y N 0.926 121.226 120.300 0.000 0.000 2.176 309 Y HA -0.010 4.540 4.550 -0.000 0.000 0.291 309 Y C 2.732 178.635 175.900 0.005 0.000 1.122 309 Y CA 0.679 58.784 58.100 0.008 0.000 1.128 309 Y CB -1.163 37.309 38.460 0.020 0.000 1.005 309 Y HN 0.042 nan 8.280 nan 0.000 0.509 310 A N 0.729 123.652 122.820 0.171 0.000 1.883 310 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 310 A C 2.070 179.680 177.584 0.044 0.000 1.186 310 A CA 2.159 54.254 52.037 0.097 0.000 0.624 310 A CB -0.844 18.201 19.000 0.075 0.000 0.822 310 A HN 0.455 nan 8.150 nan 0.000 0.444 311 N N 0.394 119.105 118.700 0.018 0.000 2.120 311 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 311 N C 1.647 177.126 175.510 -0.052 0.000 1.024 311 N CA 1.630 54.669 53.050 -0.018 0.000 0.852 311 N CB -0.566 37.904 38.487 -0.027 0.000 1.003 311 N HN 0.487 nan 8.380 nan 0.000 0.424 312 A N -0.207 122.589 122.820 -0.039 0.000 2.169 312 A HA 0.366 4.686 4.320 -0.000 0.000 0.212 312 A C 1.318 178.783 177.584 -0.198 0.000 1.153 312 A CA 0.822 52.798 52.037 -0.101 0.000 0.756 312 A CB -0.459 18.534 19.000 -0.012 0.000 0.813 312 A HN 0.333 nan 8.150 nan 0.000 0.471 313 G N -0.810 107.963 108.800 -0.046 0.000 2.248 313 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.263 313 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.263 313 G C -0.112 174.934 174.900 0.243 0.000 1.082 313 G CA 0.065 45.195 45.100 0.051 0.000 0.863 313 G HN 0.976 nan 8.290 nan 0.000 0.495 314 V N -0.102 119.913 119.914 0.168 0.000 2.348 314 V HA 0.399 4.519 4.120 -0.000 0.000 0.270 314 V C 0.776 176.879 176.094 0.015 0.000 1.037 314 V CA -1.166 61.193 62.300 0.098 0.000 0.872 314 V CB 1.201 33.092 31.823 0.114 0.000 1.002 314 V HN 0.376 nan 8.190 nan 0.000 0.464 315 K N 5.017 125.402 120.400 -0.025 0.000 2.472 315 K HA 0.242 4.562 4.320 -0.000 0.000 0.280 315 K C -0.284 176.359 176.600 0.072 0.000 1.028 315 K CA 0.759 57.073 56.287 0.045 0.000 1.045 315 K CB 0.142 32.692 32.500 0.083 0.000 0.902 315 K HN 0.618 nan 8.250 nan 0.000 0.478 316 M N 2.047 121.684 119.600 0.060 0.000 2.205 316 M HA 0.324 4.804 4.480 -0.000 0.000 0.344 316 M C 0.416 176.747 176.300 0.051 0.000 1.085 316 M CA -0.469 54.838 55.300 0.012 0.000 1.001 316 M CB 2.147 34.745 32.600 -0.002 0.000 1.626 316 M HN 0.717 nan 8.290 nan 0.000 0.442 317 G N 1.672 110.482 108.800 0.017 0.000 2.434 317 G HA2 0.569 4.529 3.960 -0.000 0.000 0.330 317 G HA3 0.569 4.529 3.960 -0.000 0.000 0.330 317 G C -1.417 173.506 174.900 0.039 0.000 1.155 317 G CA -0.515 44.603 45.100 0.030 0.000 0.917 317 G HN 0.594 nan 8.290 nan 0.000 0.493 318 F N 0.889 120.804 119.950 -0.059 0.000 2.484 318 F HA 0.512 5.039 4.527 -0.000 0.000 0.360 318 F C 0.700 176.444 175.800 -0.093 0.000 1.101 318 F CA 0.603 58.540 58.000 -0.104 0.000 1.251 318 F CB 1.047 39.976 39.000 -0.119 0.000 1.132 318 F HN 0.532 nan 8.300 nan 0.000 0.570 319 G N 2.954 111.380 108.800 -0.624 0.000 2.753 319 G HA2 0.409 4.369 3.960 -0.000 0.000 0.295 319 G HA3 0.409 4.369 3.960 -0.000 0.000 0.295 319 G C -0.570 174.029 174.900 -0.501 0.000 1.437 319 G CA -0.097 44.775 45.100 -0.381 0.000 1.094 319 G HN 0.809 nan 8.290 nan 0.000 0.540 320 S N 1.105 116.647 115.700 -0.263 0.000 2.527 320 S HA 0.174 4.644 4.470 -0.000 0.000 0.225 320 S C 0.905 175.449 174.600 -0.093 0.000 1.046 320 S CA 1.210 59.306 58.200 -0.172 0.000 0.929 320 S CB -0.058 63.113 63.200 -0.047 0.000 0.851 320 S HN 0.990 nan 8.310 nan 0.000 0.565 321 D N 0.542 120.949 120.400 0.012 0.000 2.723 321 D HA -0.117 4.523 4.640 -0.000 0.000 0.236 321 D C -0.868 175.466 176.300 0.056 0.000 1.138 321 D CA 0.348 54.421 54.000 0.121 0.000 0.676 321 D CB -1.998 38.847 40.800 0.076 0.000 1.069 321 D HN 0.527 nan 8.370 nan 0.000 0.430 322 L N -0.180 121.042 121.223 -0.003 0.000 2.399 322 L HA 0.539 4.879 4.340 -0.000 0.000 0.266 322 L C 0.586 177.212 176.870 -0.405 0.000 1.114 322 L CA -0.696 54.049 54.840 -0.160 0.000 0.804 322 L CB 1.055 43.034 42.059 -0.134 0.000 1.146 322 L HN 0.042 nan 8.230 nan 0.000 0.451 323 L N 1.948 122.970 121.223 -0.335 0.000 2.356 323 L HA 0.672 5.012 4.340 -0.000 0.000 0.277 323 L C 0.741 177.448 176.870 -0.270 0.000 0.996 323 L CA -0.406 54.273 54.840 -0.267 0.000 0.822 323 L CB 1.314 43.323 42.059 -0.084 0.000 1.256 323 L HN 0.880 nan 8.230 nan 0.000 0.413 324 G N 2.626 111.321 108.800 -0.175 0.000 2.536 324 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 324 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 324 G C 0.717 175.577 174.900 -0.067 0.000 1.152 324 G CA 0.374 45.435 45.100 -0.065 0.000 0.970 324 G HN 0.828 nan 8.290 nan 0.000 0.549 325 E N 0.957 121.011 120.200 -0.243 0.000 2.478 325 E HA 0.070 4.419 4.350 -0.000 0.000 0.198 325 E C 2.408 178.881 176.600 -0.212 0.000 1.046 325 E CA 1.208 57.432 56.400 -0.293 0.000 0.870 325 E CB -0.140 29.218 29.700 -0.570 0.000 0.818 325 E HN 0.661 nan 8.360 nan 0.000 0.527 326 M N 0.294 119.814 119.600 -0.135 0.000 2.619 326 M HA 0.014 4.494 4.480 -0.000 0.000 0.251 326 M C 1.224 177.593 176.300 0.115 0.000 1.106 326 M CA 0.649 56.026 55.300 0.128 0.000 1.086 326 M CB -0.310 32.374 32.600 0.140 0.000 1.465 326 M HN 0.163 nan 8.290 nan 0.000 0.506 327 H N -0.424 118.676 119.070 0.050 0.000 2.518 327 H HA -0.065 4.491 4.556 -0.000 0.000 0.292 327 H C 2.051 177.388 175.328 0.016 0.000 1.068 327 H CA 1.059 57.130 56.048 0.039 0.000 1.275 327 H CB 0.095 29.859 29.762 0.003 0.000 1.375 327 H HN 0.458 nan 8.280 nan 0.000 0.563 328 A N 0.167 122.996 122.820 0.014 0.000 2.067 328 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 328 A C 1.239 178.704 177.584 -0.198 0.000 1.158 328 A CA 0.865 52.807 52.037 -0.159 0.000 0.661 328 A CB -0.530 18.251 19.000 -0.365 0.000 0.801 328 A HN 0.374 nan 8.150 nan 0.000 0.452 329 F N -0.376 119.643 119.950 0.115 0.000 2.664 329 F HA 0.122 4.649 4.527 -0.000 0.000 0.301 329 F C 2.056 177.950 175.800 0.157 0.000 1.126 329 F CA 0.276 58.353 58.000 0.128 0.000 1.373 329 F CB -0.020 39.044 39.000 0.107 0.000 1.042 329 F HN 0.320 nan 8.300 nan 0.000 0.535 330 Q N 0.232 120.214 119.800 0.304 0.000 2.096 330 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 330 Q C 2.034 178.314 176.000 0.466 0.000 0.982 330 Q CA 1.940 57.926 55.803 0.305 0.000 0.850 330 Q CB -0.024 28.859 28.738 0.241 0.000 0.901 330 Q HN 0.296 nan 8.270 nan 0.000 0.422 331 S N -0.273 115.738 115.700 0.517 0.000 2.474 331 S HA -0.052 4.418 4.470 -0.000 0.000 0.235 331 S C 1.613 176.539 174.600 0.542 0.000 0.997 331 S CA 0.668 59.240 58.200 0.622 0.000 0.949 331 S CB -0.149 63.312 63.200 0.435 0.000 0.766 331 S HN 0.629 nan 8.310 nan 0.000 0.517 332 G N 1.316 110.356 108.800 0.400 0.000 2.470 332 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 332 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 332 G C 1.203 176.248 174.900 0.242 0.000 1.121 332 G CA 0.825 46.113 45.100 0.314 0.000 0.766 332 G HN 0.541 nan 8.290 nan 0.000 0.553 333 E N -0.165 120.151 120.200 0.193 0.000 2.208 333 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 333 E C 1.828 178.501 176.600 0.121 0.000 0.988 333 E CA 0.356 56.744 56.400 -0.020 0.000 0.828 333 E CB -0.322 29.079 29.700 -0.498 0.000 0.763 333 E HN 0.392 nan 8.360 nan 0.000 0.478 334 F N 0.711 120.904 119.950 0.405 0.000 2.095 334 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 334 F C 2.548 178.435 175.800 0.145 0.000 1.104 334 F CA 1.574 59.752 58.000 0.295 0.000 1.232 334 F CB -0.355 38.714 39.000 0.115 0.000 0.987 334 F HN 0.028 nan 8.300 nan 0.000 0.475 335 R N 0.378 121.068 120.500 0.317 0.000 2.075 335 R HA -0.120 4.219 4.340 -0.000 0.000 0.232 335 R C 2.271 178.655 176.300 0.141 0.000 1.126 335 R CA 1.419 57.633 56.100 0.191 0.000 0.963 335 R CB -0.484 29.913 30.300 0.161 0.000 0.858 335 R HN 0.281 nan 8.270 nan 0.000 0.435 336 I N 0.249 120.895 120.570 0.127 0.000 2.208 336 I HA -0.291 3.878 4.170 -0.000 0.000 0.245 336 I C 2.386 178.549 176.117 0.077 0.000 1.097 336 I CA 1.444 62.793 61.300 0.082 0.000 1.363 336 I CB -0.204 37.829 38.000 0.056 0.000 1.051 336 I HN 0.137 nan 8.210 nan 0.000 0.413 337 R N 0.492 121.047 120.500 0.093 0.000 2.148 337 R HA 0.003 4.343 4.340 -0.000 0.000 0.223 337 R C 2.374 178.739 176.300 0.108 0.000 1.088 337 R CA 1.096 57.252 56.100 0.094 0.000 0.985 337 R CB -0.271 30.091 30.300 0.104 0.000 0.880 337 R HN 0.352 nan 8.270 nan 0.000 0.451 338 A N 1.190 124.086 122.820 0.126 0.000 1.968 338 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 338 A C 1.768 179.397 177.584 0.076 0.000 1.169 338 A CA 1.034 53.134 52.037 0.105 0.000 0.638 338 A CB -0.120 18.947 19.000 0.111 0.000 0.812 338 A HN 0.255 nan 8.150 nan 0.000 0.446 339 E N -0.491 119.751 120.200 0.071 0.000 2.106 339 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 339 E C 1.842 178.469 176.600 0.045 0.000 0.984 339 E CA 1.365 57.798 56.400 0.053 0.000 0.806 339 E CB -0.093 29.637 29.700 0.050 0.000 0.750 339 E HN 0.419 nan 8.360 nan 0.000 0.458 340 V N 0.359 120.303 119.914 0.049 0.000 2.500 340 V HA -0.062 4.058 4.120 -0.000 0.000 0.243 340 V C 1.748 177.870 176.094 0.046 0.000 1.039 340 V CA 1.084 63.409 62.300 0.042 0.000 1.053 340 V CB 0.022 31.870 31.823 0.041 0.000 0.695 340 V HN 0.217 nan 8.190 nan 0.000 0.463 341 L N -0.233 121.025 121.223 0.058 0.000 2.766 341 L HA 0.579 4.919 4.340 -0.000 0.000 0.242 341 L C 0.914 177.819 176.870 0.059 0.000 1.136 341 L CA 0.466 55.342 54.840 0.060 0.000 0.933 341 L CB 0.225 42.328 42.059 0.073 0.000 1.241 341 L HN 0.475 nan 8.230 nan 0.000 0.522 342 G N 1.376 110.211 108.800 0.058 0.000 2.712 342 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.686 342 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.686 342 G C 0.296 175.237 174.900 0.068 0.000 1.321 342 G CA -0.046 45.087 45.100 0.055 0.000 0.813 342 G HN 0.391 nan 8.290 nan 0.000 0.599 343 N N 0.404 119.139 118.700 0.059 0.000 2.409 343 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 343 N C 2.216 177.763 175.510 0.061 0.000 1.032 343 N CA 0.792 53.881 53.050 0.064 0.000 0.898 343 N CB 0.444 38.955 38.487 0.040 0.000 0.971 343 N HN 0.502 nan 8.380 nan 0.000 0.441 344 L N 1.454 122.707 121.223 0.051 0.000 2.027 344 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 344 L C 2.374 179.286 176.870 0.069 0.000 1.074 344 L CA 1.882 56.751 54.840 0.048 0.000 0.745 344 L CB -0.285 41.797 42.059 0.038 0.000 0.898 344 L HN 0.074 nan 8.230 nan 0.000 0.433 345 E N 0.141 120.386 120.200 0.076 0.000 2.204 345 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 345 E C 1.963 178.636 176.600 0.122 0.000 0.989 345 E CA 1.299 57.752 56.400 0.089 0.000 0.824 345 E CB -0.049 29.700 29.700 0.080 0.000 0.756 345 E HN 0.509 nan 8.360 nan 0.000 0.477 346 A N 0.135 123.040 122.820 0.142 0.000 1.930 346 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 346 A C 2.160 179.912 177.584 0.280 0.000 1.175 346 A CA 1.099 53.267 52.037 0.218 0.000 0.627 346 A CB -0.510 18.635 19.000 0.243 0.000 0.815 346 A HN 0.328 nan 8.150 nan 0.000 0.443 347 L N -1.296 120.038 121.223 0.184 0.000 2.240 347 L HA -0.066 4.274 4.340 -0.000 0.000 0.211 347 L C 2.730 179.690 176.870 0.150 0.000 1.106 347 L CA 0.665 55.593 54.840 0.146 0.000 0.793 347 L CB -0.379 41.707 42.059 0.045 0.000 0.927 347 L HN 0.341 nan 8.230 nan 0.000 0.446 348 R N -0.433 120.145 120.500 0.130 0.000 2.115 348 R HA -0.082 4.257 4.340 -0.000 0.000 0.230 348 R C 2.475 178.855 176.300 0.132 0.000 1.111 348 R CA 1.310 57.479 56.100 0.115 0.000 0.976 348 R CB -0.268 30.089 30.300 0.095 0.000 0.870 348 R HN 0.289 nan 8.270 nan 0.000 0.445 349 S N 1.000 116.797 115.700 0.161 0.000 2.374 349 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 349 S C 1.882 176.597 174.600 0.193 0.000 1.037 349 S CA 1.642 59.950 58.200 0.180 0.000 1.024 349 S CB -0.089 63.256 63.200 0.241 0.000 0.861 349 S HN 0.488 nan 8.310 nan 0.000 0.456 350 A N 0.594 123.517 122.820 0.173 0.000 2.308 350 A HA 0.277 4.597 4.320 -0.000 0.000 0.217 350 A C 1.797 179.495 177.584 0.190 0.000 1.216 350 A CA 0.876 52.999 52.037 0.142 0.000 0.864 350 A CB -0.262 18.696 19.000 -0.070 0.000 0.902 350 A HN 0.597 nan 8.150 nan 0.000 0.499 351 T N -3.964 110.685 114.554 0.158 0.000 3.409 351 T HA 0.017 4.367 4.350 -0.000 0.000 0.188 351 T C 1.957 176.708 174.700 0.085 0.000 0.929 351 T CA 1.325 63.505 62.100 0.132 0.000 1.184 351 T CB -1.000 67.947 68.868 0.132 0.000 1.570 351 T HN 0.287 nan 8.240 nan 0.000 0.367 352 T N 1.154 115.754 114.554 0.076 0.000 2.777 352 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 352 T C 2.096 176.826 174.700 0.049 0.000 1.040 352 T CA 1.480 63.614 62.100 0.057 0.000 1.141 352 T CB -1.191 67.711 68.868 0.057 0.000 0.868 352 T HN 0.219 nan 8.240 nan 0.000 0.444 353 V N 2.373 122.325 119.914 0.065 0.000 2.379 353 V HA 0.019 4.139 4.120 -0.000 0.000 0.245 353 V C 3.303 179.378 176.094 -0.032 0.000 1.044 353 V CA 1.372 63.712 62.300 0.066 0.000 1.036 353 V CB -1.558 30.328 31.823 0.104 0.000 0.664 353 V HN 0.665 nan 8.190 nan 0.000 0.453 354 A N 0.465 123.278 122.820 -0.010 0.000 1.883 354 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 354 A C 2.405 179.916 177.584 -0.121 0.000 1.186 354 A CA 2.304 54.309 52.037 -0.053 0.000 0.624 354 A CB -0.893 18.138 19.000 0.052 0.000 0.822 354 A HN 0.594 nan 8.150 nan 0.000 0.444 355 A N -0.767 122.016 122.820 -0.063 0.000 2.015 355 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 355 A C 1.968 179.478 177.584 -0.124 0.000 1.163 355 A CA 1.713 53.702 52.037 -0.080 0.000 0.646 355 A CB -0.432 18.560 19.000 -0.012 0.000 0.806 355 A HN 0.702 nan 8.150 nan 0.000 0.448 356 E N -0.095 120.033 120.200 -0.120 0.000 2.072 356 E HA -0.110 4.239 4.350 -0.000 0.000 0.190 356 E C 1.806 178.202 176.600 -0.340 0.000 0.982 356 E CA 0.894 57.217 56.400 -0.128 0.000 0.803 356 E CB -0.190 29.517 29.700 0.011 0.000 0.755 356 E HN 0.651 nan 8.360 nan 0.000 0.453 357 I N 1.037 121.261 120.570 -0.576 0.000 2.163 357 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 357 I C 2.148 177.906 176.117 -0.598 0.000 1.085 357 I CA 1.214 61.981 61.300 -0.888 0.000 1.347 357 I CB -0.175 37.347 38.000 -0.797 0.000 1.044 357 I HN 0.169 nan 8.210 nan 0.000 0.408 358 V N -1.549 118.106 119.914 -0.431 0.000 3.602 358 V HA 0.158 4.278 4.120 -0.000 0.000 0.289 358 V C 0.326 176.247 176.094 -0.288 0.000 1.265 358 V CA 0.200 62.238 62.300 -0.438 0.000 1.202 358 V CB -1.736 29.521 31.823 -0.944 0.000 1.012 358 V HN 0.621 nan 8.190 nan 0.000 0.431 359 N N 0.672 119.248 118.700 -0.207 0.000 2.740 359 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 359 N C 0.236 175.717 175.510 -0.048 0.000 1.062 359 N CA 1.106 54.102 53.050 -0.089 0.000 0.704 359 N CB -0.658 37.825 38.487 -0.006 0.000 0.968 359 N HN 0.500 nan 8.380 nan 0.000 0.547 360 M N 0.184 119.741 119.600 -0.071 0.000 2.911 360 M HA 0.073 4.553 4.480 -0.000 0.000 0.381 360 M C 0.056 176.354 176.300 -0.003 0.000 1.287 360 M CA -0.092 55.201 55.300 -0.012 0.000 0.858 360 M CB 0.294 32.898 32.600 0.006 0.000 1.385 360 M HN 0.176 nan 8.290 nan 0.000 0.504 361 Q N 0.478 120.274 119.800 -0.008 0.000 2.289 361 Q HA 0.340 4.680 4.340 -0.000 0.000 0.273 361 Q C 0.739 176.749 176.000 0.017 0.000 1.029 361 Q CA 1.039 56.845 55.803 0.005 0.000 0.896 361 Q CB 0.229 28.972 28.738 0.009 0.000 1.182 361 Q HN 0.668 nan 8.270 nan 0.000 0.385 362 G N 2.266 111.078 108.800 0.020 0.000 2.160 362 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.251 362 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.251 362 G C 0.361 175.277 174.900 0.026 0.000 1.008 362 G CA 0.738 45.851 45.100 0.023 0.000 0.724 362 G HN 0.619 nan 8.290 nan 0.000 0.514 363 Q N -1.548 118.270 119.800 0.030 0.000 2.506 363 Q HA 0.536 4.876 4.340 -0.000 0.000 0.239 363 Q C 0.955 176.983 176.000 0.046 0.000 0.782 363 Q CA 0.497 56.324 55.803 0.039 0.000 0.972 363 Q CB 0.543 29.311 28.738 0.048 0.000 1.304 363 Q HN 0.548 nan 8.270 nan 0.000 0.534 364 L N -1.636 119.616 121.223 0.048 0.000 2.283 364 L HA 0.656 4.996 4.340 -0.000 0.000 0.259 364 L C 0.546 177.441 176.870 0.042 0.000 1.027 364 L CA -0.614 54.258 54.840 0.054 0.000 0.828 364 L CB 1.906 44.016 42.059 0.086 0.000 1.380 364 L HN 0.327 nan 8.230 nan 0.000 0.425 365 G N 0.560 109.390 108.800 0.049 0.000 2.180 365 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.263 365 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.263 365 G C -0.409 174.518 174.900 0.045 0.000 0.989 365 G CA 0.566 45.699 45.100 0.055 0.000 0.692 365 G HN 0.527 nan 8.290 nan 0.000 0.526 366 V N 0.230 120.163 119.914 0.032 0.000 2.817 366 V HA 0.596 4.716 4.120 -0.000 0.000 0.303 366 V C -0.303 175.801 176.094 0.016 0.000 1.151 366 V CA -1.161 61.154 62.300 0.025 0.000 0.929 366 V CB 1.615 33.453 31.823 0.025 0.000 1.030 366 V HN 0.328 nan 8.190 nan 0.000 0.427 367 I N 6.877 127.453 120.570 0.010 0.000 2.329 367 I HA 0.669 4.839 4.170 -0.000 0.000 0.295 367 I C 0.485 176.609 176.117 0.011 0.000 1.109 367 I CA 0.496 61.800 61.300 0.007 0.000 1.297 367 I CB 0.721 38.721 38.000 -0.000 0.000 1.433 367 I HN 0.814 nan 8.210 nan 0.000 0.509 368 A N 5.328 128.157 122.820 0.015 0.000 2.594 368 A HA 0.677 4.997 4.320 -0.000 0.000 0.291 368 A C -0.780 176.816 177.584 0.020 0.000 1.105 368 A CA -0.576 51.473 52.037 0.019 0.000 0.694 368 A CB 1.396 20.407 19.000 0.018 0.000 1.291 368 A HN 0.215 nan 8.150 nan 0.000 0.410 369 V N 1.509 121.436 119.914 0.022 0.000 2.450 369 V HA 0.452 4.572 4.120 -0.000 0.000 0.281 369 V C 1.443 177.548 176.094 0.019 0.000 1.019 369 V CA 1.997 64.310 62.300 0.021 0.000 1.062 369 V CB -0.029 31.807 31.823 0.022 0.000 0.979 369 V HN 2.172 nan 8.190 nan 0.000 0.477 370 G N 3.964 112.775 108.800 0.017 0.000 2.307 370 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.210 370 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.210 370 G C 0.478 175.389 174.900 0.019 0.000 1.005 370 G CA 0.079 45.189 45.100 0.017 0.000 0.634 370 G HN 1.353 nan 8.290 nan 0.000 0.496 371 A N 0.774 123.605 122.820 0.019 0.000 2.425 371 A HA 0.640 4.960 4.320 -0.000 0.000 0.242 371 A C 0.786 178.381 177.584 0.019 0.000 1.077 371 A CA 0.052 52.102 52.037 0.021 0.000 0.781 371 A CB 0.061 19.073 19.000 0.021 0.000 1.020 371 A HN 0.866 nan 8.150 nan 0.000 0.494 372 I N 1.197 121.781 120.570 0.024 0.000 2.683 372 I HA 0.067 4.236 4.170 -0.000 0.000 0.286 372 I C 1.232 177.355 176.117 0.010 0.000 1.175 372 I CA 0.241 61.552 61.300 0.019 0.000 1.429 372 I CB 0.768 38.786 38.000 0.030 0.000 1.371 372 I HN 0.686 nan 8.210 nan 0.000 0.569 373 A N 5.243 128.064 122.820 0.001 0.000 3.046 373 A HA 0.099 4.419 4.320 -0.000 0.000 0.259 373 A C -0.236 177.337 177.584 -0.018 0.000 1.843 373 A CA -0.200 51.832 52.037 -0.009 0.000 1.451 373 A CB -0.989 18.004 19.000 -0.011 0.000 1.025 373 A HN 0.644 nan 8.150 nan 0.000 0.625 374 D N 1.152 121.541 120.400 -0.018 0.000 2.479 374 D HA 0.492 5.132 4.640 -0.000 0.000 0.218 374 D C -0.240 176.018 176.300 -0.069 0.000 1.131 374 D CA 0.361 54.339 54.000 -0.036 0.000 0.916 374 D CB 0.553 41.344 40.800 -0.014 0.000 1.022 374 D HN 0.413 nan 8.370 nan 0.000 0.515 375 L N 0.990 122.164 121.223 -0.083 0.000 2.322 375 L HA 0.687 5.027 4.340 -0.000 0.000 0.269 375 L C -0.360 176.412 176.870 -0.163 0.000 1.012 375 L CA -1.190 53.586 54.840 -0.107 0.000 0.815 375 L CB 2.051 44.072 42.059 -0.064 0.000 1.295 375 L HN -0.089 nan 8.230 nan 0.000 0.438 376 V N 2.089 121.877 119.914 -0.210 0.000 2.525 376 V HA 0.363 4.483 4.120 -0.000 0.000 0.299 376 V C -0.390 175.625 176.094 -0.131 0.000 1.034 376 V CA -0.609 61.536 62.300 -0.258 0.000 0.863 376 V CB 2.335 33.804 31.823 -0.590 0.000 0.999 376 V HN 0.386 nan 8.190 nan 0.000 0.423 377 V N 6.416 126.300 119.914 -0.050 0.000 2.407 377 V HA 0.512 4.632 4.120 -0.000 0.000 0.278 377 V C -0.477 175.611 176.094 -0.010 0.000 1.037 377 V CA -0.439 61.872 62.300 0.018 0.000 0.900 377 V CB 1.544 33.462 31.823 0.158 0.000 0.983 377 V HN 0.585 nan 8.190 nan 0.000 0.459 378 L N 4.435 125.651 121.223 -0.011 0.000 2.406 378 L HA 0.515 4.855 4.340 -0.000 0.000 0.272 378 L C -0.581 176.278 176.870 -0.018 0.000 0.980 378 L CA -0.280 54.546 54.840 -0.023 0.000 0.831 378 L CB 1.897 43.944 42.059 -0.019 0.000 1.253 378 L HN 0.662 nan 8.230 nan 0.000 0.406 379 D N 3.534 123.919 120.400 -0.025 0.000 2.352 379 D HA 0.559 5.199 4.640 -0.000 0.000 0.245 379 D C 0.258 176.545 176.300 -0.022 0.000 1.224 379 D CA 1.320 55.307 54.000 -0.021 0.000 0.879 379 D CB 0.371 41.156 40.800 -0.025 0.000 1.057 379 D HN 0.895 nan 8.370 nan 0.000 0.491 380 G N 2.866 111.654 108.800 -0.021 0.000 2.539 380 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 380 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 380 G C -0.865 174.019 174.900 -0.027 0.000 1.258 380 G CA -1.141 43.946 45.100 -0.022 0.000 0.846 380 G HN 0.538 nan 8.290 nan 0.000 0.647 381 N N 1.553 120.237 118.700 -0.025 0.000 2.414 381 N HA 0.511 5.251 4.740 -0.000 0.000 0.256 381 N C -0.498 174.992 175.510 -0.033 0.000 1.029 381 N CA -2.135 50.898 53.050 -0.028 0.000 0.948 381 N CB 1.772 40.246 38.487 -0.022 0.000 1.102 381 N HN 0.200 nan 8.380 nan 0.000 0.496 382 P HA -0.093 nan 4.420 nan 0.000 0.223 382 P C 1.396 178.670 177.300 -0.043 0.000 1.151 382 P CA 0.476 63.535 63.100 -0.067 0.000 0.787 382 P CB 0.621 32.257 31.700 -0.106 0.000 0.788 383 L N 0.137 121.344 121.223 -0.027 0.000 2.093 383 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 383 L C 2.629 179.496 176.870 -0.005 0.000 1.085 383 L CA 1.793 56.627 54.840 -0.011 0.000 0.755 383 L CB -0.941 41.113 42.059 -0.008 0.000 0.904 383 L HN -0.094 nan 8.230 nan 0.000 0.435 384 E N -0.786 119.409 120.200 -0.008 0.000 2.014 384 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 384 E C 0.282 176.882 176.600 -0.001 0.000 0.980 384 E CA 0.800 57.198 56.400 -0.003 0.000 0.807 384 E CB -0.187 29.511 29.700 -0.004 0.000 0.770 384 E HN 0.282 nan 8.360 nan 0.000 0.451 385 D N -0.235 120.160 120.400 -0.008 0.000 2.425 385 D HA 0.137 4.777 4.640 -0.000 0.000 0.240 385 D C 0.148 176.436 176.300 -0.020 0.000 1.080 385 D CA -0.375 53.622 54.000 -0.006 0.000 0.836 385 D CB 1.202 42.000 40.800 -0.004 0.000 1.125 385 D HN -0.151 nan 8.370 nan 0.000 0.525 386 I N 3.323 123.887 120.570 -0.010 0.000 3.001 386 I HA 0.168 4.338 4.170 -0.000 0.000 0.268 386 I C 1.964 178.065 176.117 -0.026 0.000 1.267 386 I CA 0.803 62.088 61.300 -0.024 0.000 1.472 386 I CB -0.135 37.880 38.000 0.025 0.000 1.089 386 I HN 0.608 nan 8.210 nan 0.000 0.468 387 G N 0.035 108.833 108.800 -0.003 0.000 2.470 387 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 387 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 387 G C 1.625 176.515 174.900 -0.017 0.000 1.121 387 G CA 0.997 46.102 45.100 0.007 0.000 0.766 387 G HN 0.467 nan 8.290 nan 0.000 0.553 388 V N -1.417 118.471 119.914 -0.044 0.000 3.305 388 V HA 0.066 4.185 4.120 -0.000 0.000 0.269 388 V C 1.938 177.976 176.094 -0.092 0.000 1.157 388 V CA 1.473 63.741 62.300 -0.054 0.000 1.157 388 V CB -0.043 31.750 31.823 -0.050 0.000 0.772 388 V HN 0.137 nan 8.190 nan 0.000 0.498 389 V N -0.247 119.570 119.914 -0.161 0.000 3.219 389 V HA 0.460 4.580 4.120 -0.000 0.000 0.240 389 V C 2.540 178.530 176.094 -0.174 0.000 1.222 389 V CA 0.931 63.037 62.300 -0.323 0.000 1.181 389 V CB 0.075 31.412 31.823 -0.811 0.000 0.941 389 V HN 0.480 nan 8.190 nan 0.000 0.471 390 A N -0.243 122.558 122.820 -0.031 0.000 2.238 390 A HA 0.069 4.389 4.320 -0.000 0.000 0.210 390 A C 1.059 178.734 177.584 0.152 0.000 1.179 390 A CA 0.681 52.808 52.037 0.149 0.000 0.827 390 A CB -0.255 18.862 19.000 0.195 0.000 0.856 390 A HN 0.450 nan 8.150 nan 0.000 0.488 391 D N 0.491 120.945 120.400 0.091 0.000 2.896 391 D HA 0.232 4.872 4.640 -0.000 0.000 0.240 391 D C 0.386 176.734 176.300 0.081 0.000 1.193 391 D CA 0.016 54.070 54.000 0.089 0.000 0.983 391 D CB -0.710 40.125 40.800 0.058 0.000 1.074 391 D HN 0.389 nan 8.370 nan 0.000 0.496 392 E N 1.110 121.379 120.200 0.115 0.000 2.883 392 E HA -0.248 4.102 4.350 -0.000 0.000 0.271 392 E C 0.665 177.319 176.600 0.090 0.000 1.049 392 E CA 0.534 56.994 56.400 0.099 0.000 0.817 392 E CB -1.162 28.562 29.700 0.040 0.000 1.407 392 E HN 0.727 nan 8.360 nan 0.000 0.434 393 G N -1.429 107.424 108.800 0.089 0.000 2.333 393 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.296 393 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.296 393 G C 0.652 175.564 174.900 0.019 0.000 1.059 393 G CA 0.664 45.797 45.100 0.056 0.000 1.050 393 G HN 0.772 nan 8.290 nan 0.000 0.508 394 A N -0.212 122.615 122.820 0.012 0.000 2.016 394 A HA 0.189 4.509 4.320 -0.000 0.000 0.217 394 A C 2.110 179.680 177.584 -0.024 0.000 1.162 394 A CA 1.392 53.426 52.037 -0.005 0.000 0.662 394 A CB -0.009 18.993 19.000 0.003 0.000 0.812 394 A HN 0.517 nan 8.150 nan 0.000 0.450 395 R N -0.617 119.868 120.500 -0.025 0.000 2.586 395 R HA 0.233 4.573 4.340 -0.000 0.000 0.306 395 R C -0.581 175.688 176.300 -0.052 0.000 1.079 395 R CA 0.002 56.079 56.100 -0.038 0.000 1.083 395 R CB 0.457 30.739 30.300 -0.030 0.000 1.306 395 R HN 0.227 nan 8.270 nan 0.000 0.567 396 V N 2.341 122.218 119.914 -0.061 0.000 2.334 396 V HA 0.116 4.236 4.120 -0.000 0.000 0.281 396 V C 0.778 176.782 176.094 -0.149 0.000 1.016 396 V CA -0.387 61.862 62.300 -0.085 0.000 0.832 396 V CB 1.233 33.015 31.823 -0.069 0.000 0.999 396 V HN 0.279 nan 8.190 nan 0.000 0.439 397 E N 5.868 125.935 120.200 -0.221 0.000 2.127 397 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 397 E C -0.613 175.594 176.600 -0.655 0.000 0.964 397 E CA 0.703 56.811 56.400 -0.488 0.000 0.832 397 E CB 0.218 29.523 29.700 -0.659 0.000 0.790 397 E HN 0.697 nan 8.360 nan 0.000 0.465 398 Y N 0.552 120.819 120.300 -0.055 0.000 2.391 398 Y HA 0.456 5.006 4.550 -0.000 0.000 0.341 398 Y C -0.336 175.511 175.900 -0.088 0.000 0.965 398 Y CA -1.055 57.009 58.100 -0.060 0.000 1.067 398 Y CB 2.323 40.752 38.460 -0.050 0.000 1.199 398 Y HN -0.281 nan 8.280 nan 0.000 0.450 399 V N 5.259 125.207 119.914 0.056 0.000 2.448 399 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 399 V C -0.649 175.440 176.094 -0.008 0.000 1.025 399 V CA -0.698 61.584 62.300 -0.029 0.000 0.859 399 V CB 1.638 33.422 31.823 -0.066 0.000 0.988 399 V HN 0.524 nan 8.190 nan 0.000 0.431 400 L N 4.089 125.290 121.223 -0.036 0.000 2.334 400 L HA 0.685 5.025 4.340 -0.000 0.000 0.273 400 L C -0.236 176.608 176.870 -0.043 0.000 1.013 400 L CA 0.112 54.932 54.840 -0.033 0.000 0.816 400 L CB 1.750 43.788 42.059 -0.034 0.000 1.278 400 L HN 0.695 nan 8.230 nan 0.000 0.431 401 Q N 2.281 122.062 119.800 -0.032 0.000 2.268 401 Q HA 0.384 4.724 4.340 -0.000 0.000 0.266 401 Q C -0.875 175.111 176.000 -0.024 0.000 1.006 401 Q CA -0.705 55.081 55.803 -0.029 0.000 0.824 401 Q CB 1.376 30.098 28.738 -0.028 0.000 1.306 401 Q HN 0.521 nan 8.270 nan 0.000 0.424 402 R N 2.417 122.906 120.500 -0.019 0.000 3.322 402 R HA -0.317 4.023 4.340 -0.000 0.000 0.253 402 R C 0.670 176.959 176.300 -0.017 0.000 0.987 402 R CA 0.943 57.033 56.100 -0.016 0.000 0.666 402 R CB -2.120 28.168 30.300 -0.020 0.000 1.072 402 R HN 1.177 nan 8.270 nan 0.000 0.447 403 G N -1.210 107.579 108.800 -0.018 0.000 2.498 403 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.229 403 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.229 403 G C 0.271 175.156 174.900 -0.024 0.000 1.156 403 G CA 0.752 45.840 45.100 -0.020 0.000 0.680 403 G HN 0.779 nan 8.290 nan 0.000 0.512 404 T N 1.011 115.552 114.554 -0.023 0.000 2.897 404 T HA 0.571 4.921 4.350 -0.000 0.000 0.294 404 T C 0.352 175.040 174.700 -0.020 0.000 1.004 404 T CA 0.089 62.175 62.100 -0.023 0.000 1.106 404 T CB 1.314 70.169 68.868 -0.021 0.000 0.949 404 T HN 1.261 nan 8.240 nan 0.000 0.520 405 L N 6.040 127.253 121.223 -0.017 0.000 2.361 405 L HA 0.381 4.721 4.340 -0.000 0.000 0.278 405 L C 0.661 177.536 176.870 0.009 0.000 1.113 405 L CA 0.325 55.165 54.840 -0.001 0.000 0.849 405 L CB 0.702 42.761 42.059 -0.001 0.000 1.155 405 L HN 0.668 nan 8.230 nan 0.000 0.452 406 V N 1.897 121.819 119.914 0.012 0.000 3.570 406 V HA 0.400 4.520 4.120 -0.000 0.000 0.257 406 V C 0.603 176.702 176.094 0.008 0.000 1.272 406 V CA 0.107 62.409 62.300 0.003 0.000 1.079 406 V CB -0.496 31.321 31.823 -0.010 0.000 0.829 406 V HN 0.626 nan 8.190 nan 0.000 0.454 407 K N 1.164 121.576 120.400 0.020 0.000 2.477 407 K HA 0.653 4.973 4.320 -0.000 0.000 0.255 407 K C -1.230 175.381 176.600 0.018 0.000 0.952 407 K CA -0.492 55.798 56.287 0.005 0.000 0.826 407 K CB 3.223 35.710 32.500 -0.021 0.000 1.331 407 K HN 0.104 nan 8.250 nan 0.000 0.437 408 R N 2.148 122.630 120.500 -0.030 0.000 2.518 408 R HA 0.276 4.616 4.340 -0.000 0.000 0.296 408 R C -1.106 175.106 176.300 -0.146 0.000 1.080 408 R CA -0.135 55.911 56.100 -0.089 0.000 0.922 408 R CB 1.349 31.666 30.300 0.029 0.000 1.184 408 R HN 0.721 nan 8.270 nan 0.000 0.445 409 Q N 0.000 119.644 119.800 -0.259 0.000 2.315 409 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 409 Q CA 0.000 55.691 55.803 -0.186 0.000 1.022 409 Q CB 0.000 28.656 28.738 -0.137 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481