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 2xln_1_C DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.452 176.300 0.254 0.000 0.893 1 R CA 0.000 56.191 56.100 0.151 0.000 0.921 1 R CB 0.000 30.357 30.300 0.095 0.000 0.687 2 L N 2.495 123.826 121.223 0.180 0.000 2.084 2 L HA 0.108 4.449 4.340 0.001 0.000 0.202 2 L C 2.557 179.468 176.870 0.069 0.000 1.074 2 L CA 2.615 57.528 54.840 0.122 0.000 0.757 2 L CB -0.495 41.620 42.059 0.093 0.000 0.918 2 L HN 0.820 nan 8.230 nan 0.000 0.444 3 T N -3.235 111.357 114.554 0.063 0.000 2.929 3 T HA -0.212 4.139 4.350 0.001 0.000 0.271 3 T C 1.626 176.357 174.700 0.051 0.000 1.085 3 T CA 1.242 63.372 62.100 0.049 0.000 1.125 3 T CB -0.273 68.617 68.868 0.037 0.000 0.874 3 T HN 0.374 nan 8.240 nan 0.000 0.494 4 E N 0.540 120.776 120.200 0.060 0.000 2.046 4 E HA -0.072 4.279 4.350 0.001 0.000 0.190 4 E C 2.112 178.739 176.600 0.045 0.000 0.982 4 E CA 0.723 57.155 56.400 0.054 0.000 0.800 4 E CB -0.166 29.572 29.700 0.064 0.000 0.756 4 E HN 0.418 nan 8.360 nan 0.000 0.449 5 L N 1.618 122.868 121.223 0.046 0.000 2.012 5 L HA -0.194 4.147 4.340 0.001 0.000 0.210 5 L C 2.382 179.242 176.870 -0.017 0.000 1.073 5 L CA 1.802 56.629 54.840 -0.023 0.000 0.748 5 L CB -0.295 41.665 42.059 -0.164 0.000 0.891 5 L HN 0.019 nan 8.230 nan 0.000 0.431 6 R N -0.611 119.925 120.500 0.061 0.000 2.081 6 R HA -0.190 4.151 4.340 0.001 0.000 0.235 6 R C 2.276 178.673 176.300 0.162 0.000 1.131 6 R CA 1.578 57.801 56.100 0.206 0.000 0.960 6 R CB -0.525 29.877 30.300 0.170 0.000 0.856 6 R HN 0.521 nan 8.270 nan 0.000 0.436 7 E N 0.701 120.949 120.200 0.081 0.000 2.077 7 E HA -0.201 4.150 4.350 0.001 0.000 0.193 7 E C 1.159 177.776 176.600 0.028 0.000 0.989 7 E CA 1.478 57.911 56.400 0.056 0.000 0.800 7 E CB 0.121 29.843 29.700 0.037 0.000 0.746 7 E HN 0.237 nan 8.360 nan 0.000 0.452 8 D N -0.007 120.394 120.400 0.000 0.000 2.149 8 D HA -0.102 4.539 4.640 0.001 0.000 0.201 8 D C 1.924 178.176 176.300 -0.080 0.000 0.972 8 D CA 0.791 54.771 54.000 -0.034 0.000 0.835 8 D CB -0.056 40.721 40.800 -0.038 0.000 0.966 8 D HN 0.277 nan 8.370 nan 0.000 0.476 9 I N 0.891 121.374 120.570 -0.145 0.000 2.286 9 I HA -0.197 3.974 4.170 0.001 0.000 0.245 9 I C 1.828 177.847 176.117 -0.163 0.000 1.104 9 I CA 0.806 61.928 61.300 -0.295 0.000 1.397 9 I CB -0.095 37.451 38.000 -0.757 0.000 1.072 9 I HN -0.143 nan 8.210 nan 0.000 0.417 10 D N 1.278 121.685 120.400 0.011 0.000 2.116 10 D HA -0.212 4.429 4.640 0.001 0.000 0.193 10 D C 2.235 178.551 176.300 0.028 0.000 0.998 10 D CA 1.845 55.902 54.000 0.096 0.000 0.836 10 D CB -0.112 40.762 40.800 0.124 0.000 0.951 10 D HN 0.378 nan 8.370 nan 0.000 0.449 11 A N 0.392 123.214 122.820 0.002 0.000 1.897 11 A HA -0.082 4.239 4.320 0.001 0.000 0.215 11 A C 2.423 179.993 177.584 -0.023 0.000 1.181 11 A CA 0.675 52.708 52.037 -0.007 0.000 0.620 11 A CB -0.637 18.358 19.000 -0.008 0.000 0.821 11 A HN 0.194 nan 8.150 nan 0.000 0.443 12 I N -0.110 120.431 120.570 -0.048 0.000 2.194 12 I HA -0.276 3.894 4.170 0.001 0.000 0.246 12 I C 2.020 178.106 176.117 -0.051 0.000 1.093 12 I CA 1.205 62.468 61.300 -0.062 0.000 1.355 12 I CB -0.273 37.668 38.000 -0.099 0.000 1.046 12 I HN 0.265 nan 8.210 nan 0.000 0.413 13 L N 0.293 121.490 121.223 -0.043 0.000 2.551 13 L HA -0.085 4.256 4.340 0.001 0.000 0.228 13 L C 1.012 177.880 176.870 -0.002 0.000 1.153 13 L CA 0.461 55.289 54.840 -0.019 0.000 0.851 13 L CB -0.341 41.724 42.059 0.010 0.000 0.959 13 L HN 0.185 nan 8.230 nan 0.000 0.451 14 E N 0.690 120.887 120.200 -0.004 0.000 2.354 14 E HA 0.063 4.414 4.350 0.001 0.000 0.260 14 E C -0.385 176.211 176.600 -0.006 0.000 1.405 14 E CA 0.097 56.497 56.400 0.001 0.000 1.728 14 E CB -0.303 29.400 29.700 0.005 0.000 1.471 14 E HN 0.231 nan 8.360 nan 0.000 0.441 15 D N 1.233 121.626 120.400 -0.012 0.000 2.177 15 D HA 0.113 4.754 4.640 0.001 0.000 0.247 15 D C -1.549 174.745 176.300 -0.010 0.000 1.063 15 D CA -2.100 51.890 54.000 -0.017 0.000 0.867 15 D CB 2.092 42.873 40.800 -0.031 0.000 1.168 15 D HN -0.103 nan 8.370 nan 0.000 0.445 16 P HA -0.117 nan 4.420 nan 0.000 0.223 16 P C 0.845 178.145 177.300 0.001 0.000 1.144 16 P CA 0.604 63.703 63.100 -0.001 0.000 0.783 16 P CB 0.183 31.882 31.700 -0.002 0.000 0.771 17 A N -0.476 122.336 122.820 -0.013 0.000 2.119 17 A HA 0.001 4.322 4.320 0.001 0.000 0.217 17 A C 1.989 179.566 177.584 -0.012 0.000 1.153 17 A CA 0.783 52.808 52.037 -0.020 0.000 0.692 17 A CB -1.015 17.951 19.000 -0.056 0.000 0.799 17 A HN 0.204 nan 8.150 nan 0.000 0.458 18 L N -0.405 120.815 121.223 -0.005 0.000 2.818 18 L HA 0.198 4.539 4.340 0.001 0.000 0.243 18 L C 0.091 176.984 176.870 0.037 0.000 1.185 18 L CA -0.361 54.489 54.840 0.017 0.000 0.988 18 L CB 0.101 42.159 42.059 -0.001 0.000 1.292 18 L HN 0.179 nan 8.230 nan 0.000 0.519 19 E N 1.202 121.422 120.200 0.034 0.000 2.491 19 E HA 0.170 4.521 4.350 0.001 0.000 0.250 19 E C 1.219 177.843 176.600 0.041 0.000 1.061 19 E CA 1.058 57.477 56.400 0.031 0.000 0.942 19 E CB 0.145 29.861 29.700 0.026 0.000 0.957 19 E HN 0.347 nan 8.360 nan 0.000 0.480 20 G N 2.660 111.481 108.800 0.035 0.000 2.160 20 G HA2 -0.239 3.721 3.960 0.001 0.000 0.251 20 G HA3 -0.239 3.721 3.960 0.001 0.000 0.251 20 G C 0.256 175.183 174.900 0.045 0.000 1.008 20 G CA 0.165 45.285 45.100 0.034 0.000 0.724 20 G HN 0.772 nan 8.290 nan 0.000 0.514 21 A N -1.092 121.764 122.820 0.060 0.000 2.281 21 A HA 0.897 5.218 4.320 0.001 0.000 0.329 21 A C 0.097 177.722 177.584 0.068 0.000 1.122 21 A CA -0.136 51.951 52.037 0.084 0.000 0.850 21 A CB 1.805 20.889 19.000 0.140 0.000 1.207 21 A HN 1.186 nan 8.150 nan 0.000 0.495 22 V N 1.003 120.961 119.914 0.074 0.000 2.435 22 V HA 0.595 4.715 4.120 0.001 0.000 0.290 22 V C -0.129 176.008 176.094 0.073 0.000 1.030 22 V CA -0.334 62.002 62.300 0.061 0.000 0.881 22 V CB 1.265 33.115 31.823 0.046 0.000 0.983 22 V HN 0.771 nan 8.190 nan 0.000 0.445 23 S N 2.763 118.503 115.700 0.066 0.000 2.779 23 S HA 0.581 5.052 4.470 0.001 0.000 0.293 23 S C 0.259 174.905 174.600 0.076 0.000 1.150 23 S CA -0.563 57.679 58.200 0.069 0.000 1.057 23 S CB 1.643 64.879 63.200 0.061 0.000 1.021 23 S HN 1.093 nan 8.310 nan 0.000 0.485 24 G N 1.760 110.606 108.800 0.076 0.000 2.349 24 G HA2 0.524 4.485 3.960 0.001 0.000 0.281 24 G HA3 0.524 4.485 3.960 0.001 0.000 0.281 24 G C -0.690 174.274 174.900 0.107 0.000 1.182 24 G CA -0.334 44.816 45.100 0.083 0.000 0.899 24 G HN 0.590 nan 8.290 nan 0.000 0.455 25 V N 3.280 123.282 119.914 0.148 0.000 2.482 25 V HA 0.448 4.569 4.120 0.001 0.000 0.295 25 V C -0.432 175.811 176.094 0.248 0.000 1.026 25 V CA -0.679 61.739 62.300 0.196 0.000 0.856 25 V CB 1.683 33.639 31.823 0.221 0.000 1.001 25 V HN 0.547 nan 8.190 nan 0.000 0.424 26 V N 5.371 125.404 119.914 0.198 0.000 2.577 26 V HA 0.597 4.718 4.120 0.001 0.000 0.303 26 V C -0.481 175.726 176.094 0.188 0.000 1.042 26 V CA -0.621 61.788 62.300 0.181 0.000 0.872 26 V CB 2.210 34.100 31.823 0.112 0.000 0.998 26 V HN 0.583 nan 8.190 nan 0.000 0.423 27 V N 5.184 125.210 119.914 0.187 0.000 2.540 27 V HA 0.661 4.782 4.120 0.001 0.000 0.302 27 V C -0.500 175.663 176.094 0.115 0.000 1.035 27 V CA -0.583 61.810 62.300 0.155 0.000 0.873 27 V CB 2.092 33.971 31.823 0.092 0.000 0.992 27 V HN 0.601 nan 8.190 nan 0.000 0.428 28 V N 2.951 122.936 119.914 0.117 0.000 2.638 28 V HA 0.392 4.513 4.120 0.001 0.000 0.306 28 V C -0.761 175.403 176.094 0.117 0.000 1.052 28 V CA -0.654 61.706 62.300 0.099 0.000 0.885 28 V CB 2.268 34.142 31.823 0.085 0.000 0.999 28 V HN 0.939 nan 8.190 nan 0.000 0.424 29 D N 3.067 123.532 120.400 0.108 0.000 2.338 29 D HA 0.102 4.743 4.640 0.001 0.000 0.255 29 D C 1.425 177.787 176.300 0.103 0.000 1.237 29 D CA 0.443 54.516 54.000 0.122 0.000 0.883 29 D CB 1.804 42.678 40.800 0.123 0.000 1.087 29 D HN 0.750 nan 8.370 nan 0.000 0.485 30 T N 1.271 115.894 114.554 0.115 0.000 2.995 30 T HA -0.028 4.323 4.350 0.001 0.000 0.269 30 T C 1.785 176.523 174.700 0.063 0.000 1.091 30 T CA 0.742 62.899 62.100 0.094 0.000 1.128 30 T CB -0.043 68.896 68.868 0.118 0.000 0.891 30 T HN 0.303 nan 8.240 nan 0.000 0.492 31 A N 1.980 124.838 122.820 0.063 0.000 1.969 31 A HA 0.032 4.353 4.320 0.001 0.000 0.218 31 A C 2.616 180.222 177.584 0.036 0.000 1.169 31 A CA 1.919 53.981 52.037 0.043 0.000 0.635 31 A CB -0.918 18.108 19.000 0.043 0.000 0.810 31 A HN 0.728 nan 8.150 nan 0.000 0.445 32 T N -6.316 108.266 114.554 0.046 0.000 3.026 32 T HA 0.442 4.793 4.350 0.001 0.000 0.245 32 T C 1.540 176.263 174.700 0.037 0.000 1.004 32 T CA 1.143 63.267 62.100 0.039 0.000 1.069 32 T CB 0.355 69.250 68.868 0.046 0.000 1.005 32 T HN 1.621 nan 8.240 nan 0.000 0.472 33 G N 1.309 110.136 108.800 0.046 0.000 2.213 33 G HA2 -0.234 3.727 3.960 0.001 0.000 0.236 33 G HA3 -0.234 3.727 3.960 0.001 0.000 0.236 33 G C -0.107 174.819 174.900 0.045 0.000 0.991 33 G CA 0.144 45.269 45.100 0.042 0.000 0.629 33 G HN 0.793 nan 8.290 nan 0.000 0.517 34 E N 1.185 121.415 120.200 0.049 0.000 2.465 34 E HA 0.201 4.552 4.350 0.001 0.000 0.260 34 E C 0.040 176.671 176.600 0.052 0.000 0.980 34 E CA 0.137 56.567 56.400 0.049 0.000 0.927 34 E CB 0.245 29.980 29.700 0.058 0.000 0.934 34 E HN 0.459 nan 8.360 nan 0.000 0.459 35 E N 5.182 125.406 120.200 0.040 0.000 2.014 35 E HA 0.073 4.424 4.350 0.001 0.000 0.275 35 E C 0.804 177.424 176.600 0.034 0.000 0.997 35 E CA -0.262 56.161 56.400 0.039 0.000 0.804 35 E CB 0.429 30.143 29.700 0.023 0.000 1.090 35 E HN 0.618 nan 8.360 nan 0.000 0.401 36 L N 4.157 125.405 121.223 0.041 0.000 2.156 36 L HA 0.026 4.367 4.340 0.001 0.000 0.208 36 L C 0.404 177.321 176.870 0.078 0.000 1.095 36 L CA 0.770 55.616 54.840 0.010 0.000 0.770 36 L CB -0.075 41.935 42.059 -0.082 0.000 0.914 36 L HN 0.559 nan 8.230 nan 0.000 0.439 37 Y N -1.172 119.098 120.300 -0.049 0.000 2.552 37 Y HA 0.460 5.011 4.550 0.001 0.000 0.337 37 Y C -0.953 174.941 175.900 -0.010 0.000 1.094 37 Y CA -0.910 57.168 58.100 -0.038 0.000 1.028 37 Y CB 2.037 40.464 38.460 -0.055 0.000 1.321 37 Y HN -0.256 nan 8.280 nan 0.000 0.456 38 S N 5.173 120.650 115.700 -0.372 0.000 2.626 38 S HA 0.612 5.083 4.470 0.001 0.000 0.275 38 S C -1.989 172.424 174.600 -0.312 0.000 1.175 38 S CA -0.676 57.413 58.200 -0.186 0.000 0.982 38 S CB 0.783 63.928 63.200 -0.091 0.000 1.093 38 S HN 0.831 nan 8.310 nan 0.000 0.472 39 R N 3.577 124.010 120.500 -0.110 0.000 2.512 39 R HA 0.354 4.695 4.340 0.001 0.000 0.291 39 R C -1.020 175.298 176.300 0.030 0.000 1.097 39 R CA -0.264 55.800 56.100 -0.060 0.000 0.940 39 R CB 0.593 30.901 30.300 0.014 0.000 1.198 39 R HN 0.700 nan 8.270 nan 0.000 0.429 40 D N 2.906 123.312 120.400 0.009 0.000 2.911 40 D HA -0.165 4.475 4.640 0.001 0.000 0.227 40 D C 0.810 177.130 176.300 0.034 0.000 1.164 40 D CA 1.454 55.468 54.000 0.024 0.000 0.782 40 D CB -0.720 40.102 40.800 0.038 0.000 1.094 40 D HN 0.905 nan 8.370 nan 0.000 0.425 41 G N 0.217 109.035 108.800 0.031 0.000 2.509 41 G HA2 0.023 3.984 3.960 0.001 0.000 0.218 41 G HA3 0.023 3.984 3.960 0.001 0.000 0.218 41 G C 1.475 176.397 174.900 0.037 0.000 1.124 41 G CA 0.893 46.019 45.100 0.043 0.000 0.776 41 G HN 0.441 nan 8.290 nan 0.000 0.547 42 G N -0.526 108.289 108.800 0.025 0.000 3.088 42 G HA2 0.269 4.229 3.960 0.001 0.000 0.217 42 G HA3 0.269 4.229 3.960 0.001 0.000 0.217 42 G C 0.240 175.151 174.900 0.019 0.000 1.159 42 G CA -0.250 44.863 45.100 0.021 0.000 0.760 42 G HN 0.328 nan 8.290 nan 0.000 0.550 43 E N 1.010 121.224 120.200 0.023 0.000 2.316 43 E HA 0.242 4.593 4.350 0.001 0.000 0.275 43 E C 0.195 176.807 176.600 0.020 0.000 1.029 43 E CA -0.144 56.269 56.400 0.021 0.000 0.871 43 E CB 0.432 30.148 29.700 0.025 0.000 1.022 43 E HN 0.232 nan 8.360 nan 0.000 0.418 44 Q N 3.568 123.375 119.800 0.011 0.000 2.307 44 Q HA 0.331 4.672 4.340 0.001 0.000 0.259 44 Q C -0.579 175.425 176.000 0.007 0.000 0.998 44 Q CA 0.008 55.813 55.803 0.004 0.000 0.923 44 Q CB 0.607 29.341 28.738 -0.006 0.000 1.196 44 Q HN 0.456 nan 8.270 nan 0.000 0.416 45 L N 1.646 122.875 121.223 0.009 0.000 2.350 45 L HA 0.456 4.797 4.340 0.001 0.000 0.260 45 L C -0.670 176.203 176.870 0.006 0.000 1.015 45 L CA -1.267 53.582 54.840 0.014 0.000 0.821 45 L CB 1.359 43.438 42.059 0.032 0.000 1.370 45 L HN 0.353 nan 8.230 nan 0.000 0.416 46 L N 3.478 124.703 121.223 0.003 0.000 2.462 46 L HA 0.126 4.467 4.340 0.001 0.000 0.272 46 L C -1.341 175.536 176.870 0.012 0.000 1.166 46 L CA -0.765 54.072 54.840 -0.005 0.000 0.880 46 L CB 0.640 42.687 42.059 -0.020 0.000 1.142 46 L HN 0.422 nan 8.230 nan 0.000 0.473 47 P HA -0.007 nan 4.420 nan 0.000 0.230 47 P C 0.772 178.087 177.300 0.025 0.000 1.168 47 P CA 1.010 64.135 63.100 0.043 0.000 0.793 47 P CB 0.648 32.395 31.700 0.078 0.000 0.851 48 A N 0.506 123.324 122.820 -0.002 0.000 5.584 48 A HA -0.283 4.038 4.320 0.001 0.000 0.303 48 A C 1.844 179.428 177.584 0.000 0.000 1.923 48 A CA 1.827 53.848 52.037 -0.026 0.000 0.717 48 A CB -2.414 16.560 19.000 -0.043 0.000 1.281 48 A HN 0.191 nan 8.150 nan 0.000 0.379 49 S N 0.724 116.412 115.700 -0.019 0.000 2.547 49 S HA -0.090 4.380 4.470 0.001 0.000 0.235 49 S C 1.397 175.997 174.600 0.000 0.000 0.980 49 S CA 1.255 59.450 58.200 -0.008 0.000 0.941 49 S CB -0.699 62.474 63.200 -0.046 0.000 0.763 49 S HN 0.620 nan 8.310 nan 0.000 0.532 50 N N 1.449 120.158 118.700 0.014 0.000 2.364 50 N HA -0.033 4.708 4.740 0.001 0.000 0.183 50 N C 1.437 177.046 175.510 0.166 0.000 1.022 50 N CA 0.551 53.624 53.050 0.039 0.000 0.883 50 N CB -0.345 38.170 38.487 0.046 0.000 0.965 50 N HN 0.270 nan 8.380 nan 0.000 0.438 51 M N 1.207 120.923 119.600 0.192 0.000 2.144 51 M HA -0.135 4.346 4.480 0.001 0.000 0.260 51 M C 1.344 177.834 176.300 0.317 0.000 1.067 51 M CA 1.585 57.058 55.300 0.288 0.000 1.095 51 M CB -0.137 32.566 32.600 0.172 0.000 1.365 51 M HN -0.039 nan 8.290 nan 0.000 0.406 52 K N -0.446 120.073 120.400 0.198 0.000 2.211 52 K HA -0.162 4.159 4.320 0.001 0.000 0.204 52 K C 1.871 178.549 176.600 0.129 0.000 1.047 52 K CA 1.380 57.775 56.287 0.179 0.000 0.935 52 K CB -0.505 31.973 32.500 -0.037 0.000 0.728 52 K HN 0.401 nan 8.250 nan 0.000 0.452 53 L N -0.209 121.053 121.223 0.065 0.000 1.990 53 L HA -0.228 4.112 4.340 0.001 0.000 0.213 53 L C 2.205 179.188 176.870 0.188 0.000 1.072 53 L CA 1.566 56.442 54.840 0.061 0.000 0.755 53 L CB -0.513 41.474 42.059 -0.121 0.000 0.889 53 L HN 0.105 nan 8.230 nan 0.000 0.432 54 F N -0.437 119.643 119.950 0.216 0.000 2.102 54 F HA -0.207 4.321 4.527 0.001 0.000 0.298 54 F C 2.691 178.603 175.800 0.186 0.000 1.105 54 F CA 1.654 59.763 58.000 0.181 0.000 1.239 54 F CB -1.226 37.847 39.000 0.122 0.000 0.991 54 F HN -0.013 nan 8.300 nan 0.000 0.474 55 T N -0.015 114.773 114.554 0.391 0.000 2.746 55 T HA -0.198 4.153 4.350 0.001 0.000 0.267 55 T C 2.289 177.173 174.700 0.306 0.000 1.039 55 T CA 1.346 63.639 62.100 0.321 0.000 1.142 55 T CB -0.703 68.381 68.868 0.361 0.000 0.866 55 T HN 0.307 nan 8.240 nan 0.000 0.444 56 A N 1.454 124.508 122.820 0.389 0.000 1.902 56 A HA 0.148 4.469 4.320 0.001 0.000 0.217 56 A C 2.647 180.337 177.584 0.177 0.000 1.181 56 A CA 1.861 54.128 52.037 0.383 0.000 0.623 56 A CB -1.117 18.113 19.000 0.382 0.000 0.818 56 A HN 0.510 nan 8.150 nan 0.000 0.443 57 A N -0.087 122.842 122.820 0.182 0.000 1.877 57 A HA 0.158 4.479 4.320 0.001 0.000 0.216 57 A C 2.543 180.059 177.584 -0.114 0.000 1.186 57 A CA 2.190 54.133 52.037 -0.157 0.000 0.620 57 A CB -1.142 17.820 19.000 -0.064 0.000 0.822 57 A HN 1.084 nan 8.150 nan 0.000 0.443 58 A N -0.042 122.806 122.820 0.046 0.000 1.883 58 A HA 0.084 4.405 4.320 0.001 0.000 0.217 58 A C 2.545 180.122 177.584 -0.011 0.000 1.186 58 A CA 2.458 54.526 52.037 0.051 0.000 0.624 58 A CB -1.179 17.881 19.000 0.101 0.000 0.822 58 A HN 1.150 nan 8.150 nan 0.000 0.444 59 A N -0.400 122.415 122.820 -0.009 0.000 1.908 59 A HA -0.102 4.219 4.320 0.001 0.000 0.218 59 A C 2.189 179.693 177.584 -0.132 0.000 1.181 59 A CA 1.650 53.664 52.037 -0.038 0.000 0.627 59 A CB -0.663 18.352 19.000 0.026 0.000 0.818 59 A HN 0.490 nan 8.150 nan 0.000 0.445 60 L N -0.791 120.259 121.223 -0.288 0.000 2.131 60 L HA -0.161 4.180 4.340 0.001 0.000 0.210 60 L C 2.697 179.361 176.870 -0.343 0.000 1.092 60 L CA 1.129 55.652 54.840 -0.528 0.000 0.759 60 L CB -0.430 40.827 42.059 -1.338 0.000 0.903 60 L HN 0.357 nan 8.230 nan 0.000 0.435 61 E N -0.209 119.896 120.200 -0.159 0.000 2.028 61 E HA -0.142 4.209 4.350 0.001 0.000 0.191 61 E C 2.359 178.980 176.600 0.035 0.000 0.988 61 E CA 1.171 57.624 56.400 0.087 0.000 0.799 61 E CB -0.302 29.485 29.700 0.145 0.000 0.755 61 E HN 0.254 nan 8.360 nan 0.000 0.447 62 V N 1.189 121.096 119.914 -0.011 0.000 2.379 62 V HA -0.179 3.942 4.120 0.001 0.000 0.245 62 V C 2.378 178.434 176.094 -0.063 0.000 1.044 62 V CA 1.346 63.633 62.300 -0.022 0.000 1.036 62 V CB -0.311 31.495 31.823 -0.028 0.000 0.664 62 V HN 0.151 nan 8.190 nan 0.000 0.453 63 L N -0.796 120.354 121.223 -0.122 0.000 2.316 63 L HA 0.535 4.876 4.340 0.001 0.000 0.207 63 L C 1.102 177.921 176.870 -0.086 0.000 1.070 63 L CA 0.750 55.447 54.840 -0.239 0.000 0.820 63 L CB -0.381 41.385 42.059 -0.489 0.000 0.992 63 L HN 0.486 nan 8.230 nan 0.000 0.466 64 G N -0.467 108.299 108.800 -0.055 0.000 2.712 64 G HA2 -0.048 3.913 3.960 0.001 0.000 0.686 64 G HA3 -0.048 3.913 3.960 0.001 0.000 0.686 64 G C 0.462 175.370 174.900 0.014 0.000 1.181 64 G CA -0.345 44.759 45.100 0.007 0.000 0.762 64 G HN 0.188 nan 8.290 nan 0.000 0.641 65 A N 0.384 123.224 122.820 0.033 0.000 2.076 65 A HA 0.052 4.373 4.320 0.001 0.000 0.220 65 A C 1.974 179.594 177.584 0.060 0.000 1.160 65 A CA 2.415 54.486 52.037 0.056 0.000 0.653 65 A CB -0.263 18.805 19.000 0.113 0.000 0.801 65 A HN 1.402 nan 8.150 nan 0.000 0.455 66 D N -1.862 118.569 120.400 0.051 0.000 2.349 66 D HA 0.019 4.659 4.640 0.001 0.000 0.214 66 D C 0.430 176.714 176.300 -0.026 0.000 1.063 66 D CA -0.346 53.664 54.000 0.017 0.000 0.847 66 D CB -0.904 39.904 40.800 0.013 0.000 0.933 66 D HN 0.538 nan 8.370 nan 0.000 0.513 67 H N 1.210 120.208 119.070 -0.120 0.000 2.928 67 H HA 0.269 4.826 4.556 0.001 0.000 0.338 67 H C 0.170 175.296 175.328 -0.338 0.000 1.047 67 H CA 0.412 56.313 56.048 -0.244 0.000 1.435 67 H CB 0.646 30.235 29.762 -0.289 0.000 1.428 67 H HN 0.079 nan 8.280 nan 0.000 0.590 68 S N 3.498 118.712 115.700 -0.811 0.000 2.671 68 S HA 0.611 5.082 4.470 0.001 0.000 0.299 68 S C -1.212 172.849 174.600 -0.897 0.000 1.116 68 S CA -0.980 56.853 58.200 -0.613 0.000 0.912 68 S CB 1.440 64.441 63.200 -0.332 0.000 1.130 68 S HN 0.396 nan 8.310 nan 0.000 0.501 69 F N 0.169 119.982 119.950 -0.229 0.000 2.495 69 F HA 0.710 5.238 4.527 0.001 0.000 0.327 69 F C 0.897 176.559 175.800 -0.229 0.000 1.103 69 F CA -0.443 57.441 58.000 -0.193 0.000 0.949 69 F CB 2.161 41.095 39.000 -0.110 0.000 1.142 69 F HN 0.961 nan 8.300 nan 0.000 0.457 70 G N 0.707 109.451 108.800 -0.092 0.000 2.410 70 G HA2 0.632 4.593 3.960 0.001 0.000 0.330 70 G HA3 0.632 4.593 3.960 0.001 0.000 0.330 70 G C -1.210 173.605 174.900 -0.140 0.000 1.142 70 G CA -0.539 44.469 45.100 -0.154 0.000 0.902 70 G HN 0.530 nan 8.290 nan 0.000 0.491 71 T N 1.040 115.534 114.554 -0.099 0.000 2.916 71 T HA 0.531 4.882 4.350 0.001 0.000 0.298 71 T C -0.734 173.910 174.700 -0.093 0.000 1.031 71 T CA -0.532 61.507 62.100 -0.102 0.000 0.993 71 T CB 2.325 71.158 68.868 -0.059 0.000 1.045 71 T HN 0.549 nan 8.240 nan 0.000 0.454 72 E N 1.031 121.163 120.200 -0.113 0.000 2.336 72 E HA 0.703 5.054 4.350 0.001 0.000 0.267 72 E C -1.257 175.296 176.600 -0.079 0.000 0.906 72 E CA -0.974 55.379 56.400 -0.078 0.000 0.781 72 E CB 2.418 32.080 29.700 -0.063 0.000 1.261 72 E HN 0.279 nan 8.360 nan 0.000 0.436 73 V N 1.230 121.128 119.914 -0.026 0.000 2.487 73 V HA 0.760 4.881 4.120 0.001 0.000 0.298 73 V C -0.689 175.481 176.094 0.126 0.000 1.028 73 V CA -0.587 61.735 62.300 0.037 0.000 0.860 73 V CB 1.375 33.237 31.823 0.066 0.000 0.991 73 V HN 0.742 nan 8.190 nan 0.000 0.427 74 A N 3.619 126.575 122.820 0.227 0.000 2.449 74 A HA 1.020 5.341 4.320 0.001 0.000 0.302 74 A C -0.482 177.360 177.584 0.429 0.000 1.048 74 A CA -0.227 51.983 52.037 0.289 0.000 0.708 74 A CB 1.945 21.127 19.000 0.304 0.000 1.274 74 A HN 1.459 nan 8.150 nan 0.000 0.410 75 A N 0.746 123.690 122.820 0.208 0.000 2.469 75 A HA 0.690 5.011 4.320 0.001 0.000 0.299 75 A C 0.644 177.838 177.584 -0.650 0.000 1.098 75 A CA 0.140 52.161 52.037 -0.026 0.000 0.737 75 A CB 1.097 20.099 19.000 0.003 0.000 1.312 75 A HN 1.093 nan 8.150 nan 0.000 0.414 76 E N 0.974 120.373 120.200 -1.334 0.000 2.086 76 E HA -0.146 4.204 4.350 0.001 0.000 0.200 76 E C 0.644 176.860 176.600 -0.639 0.000 1.012 76 E CA 2.350 57.852 56.400 -1.496 0.000 0.812 76 E CB -0.025 28.986 29.700 -1.148 0.000 0.743 76 E HN 0.879 nan 8.360 nan 0.000 0.453 77 S N -2.052 113.418 115.700 -0.384 0.000 2.596 77 S HA 0.747 5.218 4.470 0.001 0.000 0.270 77 S C -0.525 173.997 174.600 -0.130 0.000 1.155 77 S CA -0.828 57.247 58.200 -0.209 0.000 0.827 77 S CB 1.107 64.207 63.200 -0.167 0.000 1.130 77 S HN 0.389 nan 8.310 nan 0.000 0.467 78 A N 1.924 124.695 122.820 -0.082 0.000 2.547 78 A HA 0.527 4.848 4.320 0.001 0.000 0.233 78 A C -2.100 175.460 177.584 -0.041 0.000 1.067 78 A CA -0.709 51.300 52.037 -0.047 0.000 0.763 78 A CB -1.087 17.892 19.000 -0.034 0.000 1.007 78 A HN 0.705 nan 8.150 nan 0.000 0.506 79 P HA 0.089 nan 4.420 nan 0.000 0.264 79 P C 0.302 177.590 177.300 -0.019 0.000 1.193 79 P CA 0.480 63.570 63.100 -0.017 0.000 0.763 79 P CB 0.402 32.098 31.700 -0.007 0.000 0.810 80 G N 3.153 111.941 108.800 -0.019 0.000 3.458 80 G HA2 0.074 4.035 3.960 0.001 0.000 0.256 80 G HA3 0.074 4.035 3.960 0.001 0.000 0.256 80 G C 0.906 175.798 174.900 -0.013 0.000 0.938 80 G CA -0.436 44.653 45.100 -0.018 0.000 1.890 80 G HN 0.639 nan 8.290 nan 0.000 0.639 81 R N -1.282 119.211 120.500 -0.012 0.000 4.108 81 R HA -0.319 4.022 4.340 0.001 0.000 0.432 81 R C 1.951 178.247 176.300 -0.008 0.000 0.892 81 R CA 2.068 58.162 56.100 -0.010 0.000 1.711 81 R CB -0.559 29.735 30.300 -0.010 0.000 2.361 81 R HN 0.441 nan 8.270 nan 0.000 0.497 82 R N 0.332 120.827 120.500 -0.008 0.000 2.313 82 R HA 0.109 4.450 4.340 0.001 0.000 0.199 82 R C 0.930 177.226 176.300 -0.007 0.000 0.958 82 R CA 1.323 57.419 56.100 -0.006 0.000 1.047 82 R CB 0.086 30.383 30.300 -0.005 0.000 0.955 82 R HN 0.471 nan 8.270 nan 0.000 0.481 83 G N 0.173 108.969 108.800 -0.007 0.000 2.176 83 G HA2 -0.274 3.687 3.960 0.001 0.000 0.252 83 G HA3 -0.274 3.687 3.960 0.001 0.000 0.252 83 G C -0.501 174.396 174.900 -0.005 0.000 1.024 83 G CA 0.348 45.444 45.100 -0.007 0.000 0.755 83 G HN 0.453 nan 8.290 nan 0.000 0.507 84 E N -0.929 119.268 120.200 -0.005 0.000 2.212 84 E HA 0.650 5.001 4.350 0.001 0.000 0.268 84 E C -0.549 176.051 176.600 0.000 0.000 0.902 84 E CA -0.838 55.562 56.400 -0.001 0.000 0.779 84 E CB 2.802 32.502 29.700 0.000 0.000 1.172 84 E HN 0.084 nan 8.360 nan 0.000 0.409 85 V N 2.398 122.319 119.914 0.011 0.000 2.914 85 V HA 0.096 4.217 4.120 0.001 0.000 0.314 85 V C 0.371 176.490 176.094 0.041 0.000 1.084 85 V CA -0.522 61.789 62.300 0.019 0.000 0.963 85 V CB 2.078 33.921 31.823 0.033 0.000 1.025 85 V HN 0.657 nan 8.190 nan 0.000 0.432 86 Q N 1.422 121.257 119.800 0.058 0.000 1.596 86 Q HA 0.148 4.489 4.340 0.001 0.000 0.516 86 Q C 0.065 176.157 176.000 0.154 0.000 0.916 86 Q CA 0.974 56.835 55.803 0.096 0.000 0.888 86 Q CB -0.032 28.770 28.738 0.106 0.000 1.242 86 Q HN 0.785 nan 8.270 nan 0.000 0.383 87 D N -0.217 120.343 120.400 0.266 0.000 2.329 87 D HA 0.388 5.029 4.640 0.001 0.000 0.246 87 D C -0.930 175.625 176.300 0.425 0.000 1.111 87 D CA -0.106 54.114 54.000 0.367 0.000 0.941 87 D CB 0.981 42.129 40.800 0.580 0.000 1.169 87 D HN 0.197 nan 8.370 nan 0.000 0.441 88 L N 1.558 122.980 121.223 0.332 0.000 2.422 88 L HA 0.426 4.766 4.340 0.001 0.000 0.264 88 L C -1.903 175.107 176.870 0.232 0.000 0.984 88 L CA -0.653 54.403 54.840 0.360 0.000 0.819 88 L CB 1.675 43.874 42.059 0.234 0.000 1.330 88 L HN 0.257 nan 8.230 nan 0.000 0.410 89 Y N 4.205 124.679 120.300 0.289 0.000 2.361 89 Y HA 0.581 5.132 4.550 0.001 0.000 0.337 89 Y C -0.712 175.237 175.900 0.082 0.000 0.965 89 Y CA -0.638 57.572 58.100 0.184 0.000 1.091 89 Y CB 2.023 40.538 38.460 0.093 0.000 1.182 89 Y HN 0.468 nan 8.280 nan 0.000 0.450 90 L N 5.186 126.467 121.223 0.097 0.000 2.260 90 L HA 0.660 5.001 4.340 0.001 0.000 0.289 90 L C -1.164 175.686 176.870 -0.034 0.000 1.057 90 L CA -0.441 54.332 54.840 -0.112 0.000 0.811 90 L CB 0.582 42.455 42.059 -0.310 0.000 1.184 90 L HN 0.398 nan 8.230 nan 0.000 0.429 91 V N 5.330 125.207 119.914 -0.061 0.000 2.357 91 V HA 0.680 4.801 4.120 0.001 0.000 0.284 91 V C 0.678 176.699 176.094 -0.121 0.000 1.018 91 V CA -0.399 61.870 62.300 -0.051 0.000 0.841 91 V CB 1.117 32.914 31.823 -0.043 0.000 0.991 91 V HN 0.907 nan 8.190 nan 0.000 0.437 92 G N 3.559 112.284 108.800 -0.124 0.000 2.367 92 G HA2 0.598 4.559 3.960 0.001 0.000 0.314 92 G HA3 0.598 4.559 3.960 0.001 0.000 0.314 92 G C -0.033 174.710 174.900 -0.262 0.000 1.130 92 G CA -0.621 44.372 45.100 -0.179 0.000 0.864 92 G HN 0.663 nan 8.290 nan 0.000 0.486 93 R N 1.306 121.591 120.500 -0.359 0.000 2.834 93 R HA 0.324 4.665 4.340 0.001 0.000 0.362 93 R C 0.942 177.037 176.300 -0.341 0.000 1.147 93 R CA 0.179 55.888 56.100 -0.651 0.000 1.125 93 R CB 0.886 30.599 30.300 -0.978 0.000 1.361 93 R HN 1.008 nan 8.270 nan 0.000 0.598 94 G N 1.155 109.731 108.800 -0.372 0.000 2.149 94 G HA2 -0.257 3.704 3.960 0.001 0.000 0.235 94 G HA3 -0.257 3.704 3.960 0.001 0.000 0.235 94 G C -0.323 174.313 174.900 -0.439 0.000 1.018 94 G CA 0.109 44.983 45.100 -0.377 0.000 0.728 94 G HN 0.441 nan 8.290 nan 0.000 0.508 95 D N 0.737 120.947 120.400 -0.316 0.000 2.346 95 D HA 0.339 4.980 4.640 0.001 0.000 0.260 95 D C -0.460 175.620 176.300 -0.367 0.000 1.252 95 D CA -1.616 52.173 54.000 -0.352 0.000 0.895 95 D CB 1.154 41.894 40.800 -0.099 0.000 1.097 95 D HN 0.220 nan 8.370 nan 0.000 0.489 96 P HA 0.060 nan 4.420 nan 0.000 0.257 96 P C 0.223 177.347 177.300 -0.293 0.000 1.281 96 P CA 0.282 63.154 63.100 -0.380 0.000 0.826 96 P CB 0.095 31.406 31.700 -0.648 0.000 1.237 97 T N -3.586 110.755 114.554 -0.354 0.000 3.339 97 T HA 0.261 4.612 4.350 0.001 0.000 0.292 97 T C 0.033 174.604 174.700 -0.215 0.000 1.012 97 T CA -0.483 61.280 62.100 -0.562 0.000 0.937 97 T CB -0.672 67.519 68.868 -1.128 0.000 1.164 97 T HN -0.122 nan 8.240 nan 0.000 0.509 98 L N 4.006 125.192 121.223 -0.063 0.000 2.325 98 L HA 0.561 4.902 4.340 0.001 0.000 0.284 98 L C 0.424 177.314 176.870 0.033 0.000 1.089 98 L CA -0.034 54.793 54.840 -0.022 0.000 0.836 98 L CB 0.342 42.377 42.059 -0.041 0.000 1.184 98 L HN 0.464 nan 8.230 nan 0.000 0.444 99 S N 3.804 119.522 115.700 0.030 0.000 2.693 99 S HA 0.645 5.115 4.470 0.001 0.000 0.276 99 S C 1.291 175.894 174.600 0.006 0.000 1.192 99 S CA -0.217 58.022 58.200 0.066 0.000 0.994 99 S CB 1.438 64.700 63.200 0.104 0.000 1.012 99 S HN 0.825 nan 8.310 nan 0.000 0.550 100 A N 0.498 123.331 122.820 0.023 0.000 1.972 100 A HA -0.051 4.270 4.320 0.001 0.000 0.219 100 A C 2.058 179.643 177.584 0.002 0.000 1.169 100 A CA 1.925 53.972 52.037 0.017 0.000 0.635 100 A CB -1.219 17.796 19.000 0.026 0.000 0.810 100 A HN 0.994 nan 8.150 nan 0.000 0.446 101 E N 0.959 121.153 120.200 -0.009 0.000 2.047 101 E HA -0.189 4.162 4.350 0.001 0.000 0.191 101 E C 1.331 177.903 176.600 -0.046 0.000 0.987 101 E CA 1.715 58.105 56.400 -0.017 0.000 0.799 101 E CB -0.385 29.309 29.700 -0.010 0.000 0.752 101 E HN 0.517 nan 8.360 nan 0.000 0.449 102 D N 0.398 120.730 120.400 -0.113 0.000 2.149 102 D HA -0.203 4.438 4.640 0.001 0.000 0.194 102 D C 2.057 178.274 176.300 -0.139 0.000 1.001 102 D CA 1.234 55.077 54.000 -0.262 0.000 0.849 102 D CB -0.265 40.210 40.800 -0.543 0.000 0.939 102 D HN 0.296 nan 8.370 nan 0.000 0.449 103 L N 0.247 121.441 121.223 -0.048 0.000 2.093 103 L HA -0.163 4.178 4.340 0.001 0.000 0.208 103 L C 2.178 179.162 176.870 0.191 0.000 1.085 103 L CA 1.135 56.027 54.840 0.088 0.000 0.755 103 L CB -0.324 41.807 42.059 0.121 0.000 0.904 103 L HN -0.031 nan 8.230 nan 0.000 0.435 104 D N -0.004 120.443 120.400 0.077 0.000 2.144 104 D HA -0.162 4.479 4.640 0.001 0.000 0.200 104 D C 2.144 178.472 176.300 0.047 0.000 0.978 104 D CA 1.180 55.206 54.000 0.043 0.000 0.833 104 D CB 0.227 41.031 40.800 0.006 0.000 0.961 104 D HN 0.251 nan 8.370 nan 0.000 0.470 105 A N -0.125 122.717 122.820 0.037 0.000 1.929 105 A HA -0.067 4.254 4.320 0.001 0.000 0.216 105 A C 2.249 179.877 177.584 0.073 0.000 1.176 105 A CA 1.003 53.062 52.037 0.037 0.000 0.628 105 A CB -0.499 18.509 19.000 0.014 0.000 0.816 105 A HN 0.291 nan 8.150 nan 0.000 0.444 106 M N -0.718 118.951 119.600 0.114 0.000 2.254 106 M HA -0.076 4.404 4.480 0.001 0.000 0.265 106 M C 2.479 178.952 176.300 0.289 0.000 1.066 106 M CA 1.145 56.551 55.300 0.176 0.000 1.123 106 M CB -0.330 32.342 32.600 0.121 0.000 1.388 106 M HN 0.490 nan 8.290 nan 0.000 0.425 107 A N 0.445 123.446 122.820 0.302 0.000 1.933 107 A HA -0.027 4.294 4.320 0.001 0.000 0.218 107 A C 2.335 179.927 177.584 0.014 0.000 1.175 107 A CA 1.789 53.857 52.037 0.052 0.000 0.628 107 A CB -0.741 18.157 19.000 -0.171 0.000 0.814 107 A HN 0.483 nan 8.150 nan 0.000 0.444 108 A N -0.163 122.676 122.820 0.032 0.000 1.930 108 A HA -0.140 4.181 4.320 0.001 0.000 0.217 108 A C 1.901 179.503 177.584 0.030 0.000 1.175 108 A CA 1.533 53.580 52.037 0.017 0.000 0.627 108 A CB -0.465 18.544 19.000 0.016 0.000 0.815 108 A HN 0.630 nan 8.150 nan 0.000 0.443 109 E N -0.269 119.965 120.200 0.056 0.000 2.077 109 E HA -0.133 4.218 4.350 0.001 0.000 0.193 109 E C 2.000 178.634 176.600 0.057 0.000 0.989 109 E CA 1.345 57.778 56.400 0.056 0.000 0.800 109 E CB -0.298 29.443 29.700 0.068 0.000 0.746 109 E HN 0.409 nan 8.360 nan 0.000 0.452 110 V N 1.555 121.519 119.914 0.083 0.000 2.287 110 V HA -0.310 3.810 4.120 0.001 0.000 0.248 110 V C 2.371 178.482 176.094 0.029 0.000 1.053 110 V CA 1.929 64.274 62.300 0.075 0.000 1.027 110 V CB -0.853 31.036 31.823 0.111 0.000 0.646 110 V HN 0.324 nan 8.190 nan 0.000 0.447 111 A N 0.247 123.071 122.820 0.007 0.000 1.865 111 A HA -0.149 4.171 4.320 0.001 0.000 0.217 111 A C 2.336 179.921 177.584 0.001 0.000 1.191 111 A CA 2.204 54.237 52.037 -0.008 0.000 0.623 111 A CB -0.943 18.044 19.000 -0.021 0.000 0.826 111 A HN 0.636 nan 8.150 nan 0.000 0.444 112 A N 0.050 122.874 122.820 0.008 0.000 2.216 112 A HA 0.081 4.402 4.320 0.001 0.000 0.214 112 A C 2.103 179.692 177.584 0.009 0.000 1.160 112 A CA 1.686 53.728 52.037 0.007 0.000 0.725 112 A CB -0.741 18.265 19.000 0.010 0.000 0.784 112 A HN 0.999 nan 8.150 nan 0.000 0.472 113 S N -2.252 113.456 115.700 0.013 0.000 2.575 113 S HA 0.400 4.871 4.470 0.001 0.000 0.215 113 S C 1.266 175.869 174.600 0.005 0.000 0.966 113 S CA 0.875 59.081 58.200 0.012 0.000 0.911 113 S CB -0.174 63.038 63.200 0.020 0.000 0.780 113 S HN 1.789 nan 8.310 nan 0.000 0.514 114 G N 0.315 109.116 108.800 0.003 0.000 2.144 114 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 114 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 114 G C -0.082 174.816 174.900 -0.003 0.000 0.988 114 G CA -0.154 44.945 45.100 -0.002 0.000 0.659 114 G HN 0.633 nan 8.290 nan 0.000 0.522 115 V N 1.279 121.193 119.914 0.000 0.000 2.488 115 V HA 0.529 4.650 4.120 0.001 0.000 0.277 115 V C 1.419 177.507 176.094 -0.011 0.000 1.046 115 V CA 0.224 62.523 62.300 -0.001 0.000 0.986 115 V CB 1.523 33.352 31.823 0.010 0.000 0.989 115 V HN 0.353 nan 8.190 nan 0.000 0.475 116 R N 2.249 122.741 120.500 -0.012 0.000 2.243 116 R HA 0.206 4.547 4.340 0.001 0.000 0.193 116 R C 0.054 176.342 176.300 -0.021 0.000 0.933 116 R CA 0.556 56.646 56.100 -0.018 0.000 1.105 116 R CB 1.071 31.363 30.300 -0.014 0.000 1.169 116 R HN 0.693 nan 8.270 nan 0.000 0.599 117 T N 1.088 115.634 114.554 -0.013 0.000 2.879 117 T HA 0.347 4.697 4.350 0.001 0.000 0.290 117 T C -0.926 173.773 174.700 -0.003 0.000 0.993 117 T CA -0.378 61.714 62.100 -0.012 0.000 0.975 117 T CB 2.760 71.623 68.868 -0.008 0.000 0.981 117 T HN -0.208 nan 8.240 nan 0.000 0.439 118 V N 4.508 124.419 119.914 -0.006 0.000 2.372 118 V HA 0.235 4.356 4.120 0.001 0.000 0.261 118 V C 1.426 177.527 176.094 0.010 0.000 1.055 118 V CA -0.244 62.063 62.300 0.011 0.000 0.930 118 V CB 0.754 32.582 31.823 0.007 0.000 1.031 118 V HN 0.685 nan 8.190 nan 0.000 0.479 119 R N 3.974 124.488 120.500 0.024 0.000 2.127 119 R HA 0.152 4.493 4.340 0.001 0.000 0.217 119 R C 1.364 177.682 176.300 0.030 0.000 1.074 119 R CA 1.179 57.292 56.100 0.022 0.000 0.991 119 R CB -0.156 30.160 30.300 0.025 0.000 0.895 119 R HN 0.786 nan 8.270 nan 0.000 0.450 120 G N -1.015 107.816 108.800 0.051 0.000 3.022 120 G HA2 0.149 4.109 3.960 0.001 0.000 0.157 120 G HA3 0.149 4.109 3.960 0.001 0.000 0.157 120 G C -0.787 174.118 174.900 0.009 0.000 1.468 120 G CA -0.446 44.690 45.100 0.061 0.000 1.058 120 G HN 0.166 nan 8.290 nan 0.000 0.581 121 D N -0.326 120.065 120.400 -0.015 0.000 2.217 121 D HA 0.393 5.034 4.640 0.001 0.000 0.248 121 D C -0.864 175.263 176.300 -0.287 0.000 1.008 121 D CA -0.354 53.513 54.000 -0.222 0.000 0.914 121 D CB 2.705 43.234 40.800 -0.452 0.000 1.182 121 D HN 0.120 nan 8.370 nan 0.000 0.451 122 L N 1.841 122.858 121.223 -0.344 0.000 2.275 122 L HA 0.315 4.655 4.340 0.001 0.000 0.288 122 L C -1.550 175.037 176.870 -0.472 0.000 1.046 122 L CA -0.268 54.418 54.840 -0.255 0.000 0.805 122 L CB 0.365 42.374 42.059 -0.083 0.000 1.193 122 L HN 0.239 nan 8.230 nan 0.000 0.426 123 Y N 3.560 123.657 120.300 -0.337 0.000 2.429 123 Y HA 0.718 5.268 4.550 0.001 0.000 0.342 123 Y C 0.286 176.070 175.900 -0.193 0.000 1.004 123 Y CA -0.772 57.101 58.100 -0.378 0.000 1.075 123 Y CB 1.955 39.898 38.460 -0.862 0.000 1.214 123 Y HN 0.716 nan 8.280 nan 0.000 0.455 124 A N 2.402 125.267 122.820 0.075 0.000 2.252 124 A HA 0.344 4.665 4.320 0.001 0.000 0.309 124 A C -1.012 176.633 177.584 0.102 0.000 1.285 124 A CA -0.511 51.562 52.037 0.061 0.000 0.900 124 A CB 0.109 19.125 19.000 0.026 0.000 1.157 124 A HN 0.651 nan 8.150 nan 0.000 0.536 125 D N 2.698 123.162 120.400 0.107 0.000 2.392 125 D HA 0.292 4.933 4.640 0.001 0.000 0.228 125 D C -0.584 175.741 176.300 0.041 0.000 1.074 125 D CA -0.264 53.802 54.000 0.109 0.000 0.838 125 D CB 1.220 42.114 40.800 0.157 0.000 1.067 125 D HN 0.532 nan 8.370 nan 0.000 0.511 126 D N 1.134 121.559 120.400 0.041 0.000 2.538 126 D HA -0.041 4.600 4.640 0.001 0.000 0.231 126 D C 1.171 177.509 176.300 0.064 0.000 1.229 126 D CA -0.191 53.821 54.000 0.021 0.000 0.828 126 D CB -0.212 40.593 40.800 0.008 0.000 1.035 126 D HN 0.276 nan 8.370 nan 0.000 0.495 127 T N -4.076 110.526 114.554 0.080 0.000 3.098 127 T HA -0.155 4.196 4.350 0.001 0.000 0.266 127 T C 1.402 176.190 174.700 0.147 0.000 1.145 127 T CA 0.003 62.154 62.100 0.087 0.000 1.092 127 T CB -0.842 68.056 68.868 0.049 0.000 0.908 127 T HN 0.440 nan 8.240 nan 0.000 0.526 128 W N 0.890 122.168 121.300 -0.037 0.000 2.392 128 W HA 0.086 4.747 4.660 0.001 0.000 0.279 128 W C -0.649 176.003 176.519 0.222 0.000 1.225 128 W CA 0.218 57.562 57.345 -0.001 0.000 1.233 128 W CB 0.054 29.433 29.460 -0.135 0.000 1.122 128 W HN 0.130 nan 8.180 nan 0.000 0.561 129 F N 1.066 120.991 119.950 -0.042 0.000 2.594 129 F HA 0.262 4.790 4.527 0.001 0.000 0.335 129 F C 0.696 176.413 175.800 -0.139 0.000 1.058 129 F CA -2.047 55.847 58.000 -0.176 0.000 0.981 129 F CB -0.514 38.400 39.000 -0.142 0.000 1.289 129 F HN -0.403 nan 8.300 nan 0.000 0.490 130 D N 0.045 120.442 120.400 -0.004 0.000 2.461 130 D HA -0.059 4.582 4.640 0.001 0.000 0.231 130 D C 0.794 177.106 176.300 0.019 0.000 1.208 130 D CA 0.595 54.573 54.000 -0.038 0.000 0.879 130 D CB 0.567 41.288 40.800 -0.132 0.000 1.220 130 D HN 0.476 nan 8.370 nan 0.000 0.480 131 S N -0.033 115.680 115.700 0.023 0.000 2.582 131 S HA 0.050 4.521 4.470 0.001 0.000 0.234 131 S C 0.443 175.076 174.600 0.054 0.000 0.961 131 S CA -0.517 57.709 58.200 0.044 0.000 0.953 131 S CB 0.108 63.335 63.200 0.045 0.000 0.800 131 S HN 0.438 nan 8.310 nan 0.000 0.471 132 E N 1.646 121.877 120.200 0.051 0.000 2.129 132 E HA 0.202 4.552 4.350 0.001 0.000 0.283 132 E C 0.583 177.296 176.600 0.188 0.000 1.080 132 E CA -0.498 55.975 56.400 0.122 0.000 0.867 132 E CB 0.374 30.181 29.700 0.179 0.000 1.056 132 E HN 0.195 nan 8.360 nan 0.000 0.404 133 R N 2.926 123.533 120.500 0.179 0.000 2.173 133 R HA 0.204 4.545 4.340 0.001 0.000 0.208 133 R C 0.258 176.729 176.300 0.286 0.000 1.035 133 R CA 0.516 56.737 56.100 0.202 0.000 1.004 133 R CB -0.040 30.353 30.300 0.155 0.000 0.917 133 R HN 0.439 nan 8.270 nan 0.000 0.462 134 L N 0.069 121.376 121.223 0.140 0.000 2.401 134 L HA 0.398 4.739 4.340 0.001 0.000 0.266 134 L C -0.348 176.090 176.870 -0.721 0.000 0.991 134 L CA -1.060 53.654 54.840 -0.210 0.000 0.818 134 L CB 2.628 44.717 42.059 0.051 0.000 1.321 134 L HN -0.363 nan 8.230 nan 0.000 0.413 135 V N 1.569 120.414 119.914 -1.781 0.000 2.599 135 V HA -0.072 4.049 4.120 0.001 0.000 0.300 135 V C 0.956 176.557 176.094 -0.821 0.000 1.034 135 V CA 0.178 61.494 62.300 -1.639 0.000 1.115 135 V CB 0.678 31.250 31.823 -2.085 0.000 0.934 135 V HN 0.794 nan 8.190 nan 0.000 0.485 136 D N 3.402 123.506 120.400 -0.493 0.000 2.203 136 D HA -0.175 4.466 4.640 0.001 0.000 0.199 136 D C 1.465 177.699 176.300 -0.111 0.000 0.997 136 D CA 1.983 55.849 54.000 -0.224 0.000 0.863 136 D CB 0.016 40.721 40.800 -0.157 0.000 0.928 136 D HN 0.943 nan 8.370 nan 0.000 0.458 137 D N -1.413 118.912 120.400 -0.125 0.000 2.368 137 D HA -0.082 4.558 4.640 0.001 0.000 0.218 137 D C 0.118 176.505 176.300 0.144 0.000 1.112 137 D CA -0.470 53.545 54.000 0.025 0.000 0.834 137 D CB -0.568 40.232 40.800 -0.000 0.000 0.953 137 D HN -0.009 nan 8.370 nan 0.000 0.505 138 W N 1.062 122.302 121.300 -0.100 0.000 2.158 138 W HA 0.217 4.878 4.660 0.001 0.000 0.339 138 W C 0.541 177.115 176.519 0.093 0.000 1.294 138 W CA -1.158 56.132 57.345 -0.092 0.000 1.231 138 W CB 0.049 29.474 29.460 -0.058 0.000 1.143 138 W HN -0.045 nan 8.180 nan 0.000 0.571 139 W N 4.285 125.718 121.300 0.221 0.000 2.304 139 W HA 0.163 4.824 4.660 0.001 0.000 0.313 139 W C -1.177 175.424 176.519 0.137 0.000 1.323 139 W CA -2.523 54.907 57.345 0.141 0.000 1.223 139 W CB -0.301 29.222 29.460 0.105 0.000 1.237 139 W HN 0.253 nan 8.180 nan 0.000 0.535 140 P HA -0.201 nan 4.420 nan 0.000 0.219 140 P C 1.077 178.475 177.300 0.163 0.000 1.146 140 P CA 1.734 64.951 63.100 0.195 0.000 0.808 140 P CB 0.475 32.252 31.700 0.127 0.000 0.779 141 E N -0.794 119.523 120.200 0.195 0.000 2.204 141 E HA -0.130 4.220 4.350 0.001 0.000 0.194 141 E C 1.364 178.128 176.600 0.274 0.000 0.989 141 E CA 0.879 57.387 56.400 0.179 0.000 0.824 141 E CB -0.630 29.152 29.700 0.136 0.000 0.756 141 E HN 0.250 nan 8.360 nan 0.000 0.477 142 D N 0.155 120.747 120.400 0.320 0.000 2.347 142 D HA -0.055 4.585 4.640 0.001 0.000 0.213 142 D C 1.127 177.461 176.300 0.057 0.000 0.985 142 D CA 0.359 54.550 54.000 0.318 0.000 0.879 142 D CB 0.073 41.063 40.800 0.317 0.000 0.919 142 D HN 0.290 nan 8.370 nan 0.000 0.526 143 E N 0.295 120.505 120.200 0.017 0.000 2.153 143 E HA -0.121 4.230 4.350 0.001 0.000 0.194 143 E C -0.823 175.647 176.600 -0.215 0.000 0.988 143 E CA 0.656 57.024 56.400 -0.054 0.000 0.811 143 E CB -0.489 29.227 29.700 0.028 0.000 0.746 143 E HN 0.295 nan 8.360 nan 0.000 0.466 144 P HA -0.119 nan 4.420 nan 0.000 0.225 144 P C -0.519 176.375 177.300 -0.676 0.000 1.148 144 P CA 1.080 63.808 63.100 -0.620 0.000 0.779 144 P CB -0.000 31.163 31.700 -0.896 0.000 0.780 145 Y N -1.741 118.403 120.300 -0.259 0.000 2.352 145 Y HA 0.486 5.037 4.550 0.002 0.000 0.326 145 Y C 1.891 177.557 175.900 -0.390 0.000 1.166 145 Y CA -1.044 56.839 58.100 -0.362 0.000 1.182 145 Y CB 0.489 38.615 38.460 -0.557 0.000 1.216 145 Y HN -0.235 nan 8.280 nan 0.000 0.474 146 A N 2.184 124.981 122.820 -0.039 0.000 1.986 146 A HA -0.276 4.045 4.320 0.001 0.000 0.220 146 A C 1.705 179.292 177.584 0.005 0.000 1.171 146 A CA 2.118 54.154 52.037 -0.001 0.000 0.640 146 A CB -1.331 17.704 19.000 0.058 0.000 0.811 146 A HN 0.958 nan 8.150 nan 0.000 0.451 147 Y N -2.100 118.226 120.300 0.043 0.000 2.574 147 Y HA 0.239 4.790 4.550 0.002 0.000 0.294 147 Y C 1.729 177.561 175.900 -0.113 0.000 1.142 147 Y CA 0.888 58.970 58.100 -0.030 0.000 1.314 147 Y CB -0.495 37.930 38.460 -0.058 0.000 0.991 147 Y HN 0.181 nan 8.280 nan 0.000 0.555 148 S N 0.392 115.903 115.700 -0.315 0.000 2.754 148 S HA 0.600 5.070 4.470 0.001 0.000 0.247 148 S C 0.548 175.153 174.600 0.009 0.000 1.031 148 S CA -0.260 57.795 58.200 -0.242 0.000 1.014 148 S CB -1.008 62.020 63.200 -0.286 0.000 0.918 148 S HN 0.598 nan 8.310 nan 0.000 0.519 149 A N 1.565 124.413 122.820 0.047 0.000 2.565 149 A HA 0.223 4.544 4.320 0.001 0.000 0.237 149 A C 0.465 178.201 177.584 0.253 0.000 1.053 149 A CA 0.298 52.410 52.037 0.125 0.000 0.755 149 A CB 0.014 19.086 19.000 0.120 0.000 0.980 149 A HN 0.720 nan 8.150 nan 0.000 0.506 150 Q N 0.290 120.223 119.800 0.222 0.000 2.395 150 Q HA 0.188 4.528 4.340 0.001 0.000 0.271 150 Q C -0.328 175.817 176.000 0.241 0.000 1.026 150 Q CA 0.167 56.121 55.803 0.252 0.000 0.900 150 Q CB 0.493 29.337 28.738 0.178 0.000 1.266 150 Q HN 0.585 nan 8.270 nan 0.000 0.430 151 I N 1.422 122.141 120.570 0.248 0.000 2.336 151 I HA 0.301 4.472 4.170 0.001 0.000 0.292 151 I C -0.006 176.191 176.117 0.133 0.000 0.991 151 I CA 0.135 61.545 61.300 0.185 0.000 1.227 151 I CB 1.107 39.176 38.000 0.115 0.000 1.366 151 I HN 0.452 nan 8.210 nan 0.000 0.466 152 S N 3.462 119.255 115.700 0.155 0.000 2.556 152 S HA 0.665 5.136 4.470 0.001 0.000 0.271 152 S C 0.629 175.256 174.600 0.045 0.000 1.135 152 S CA -0.023 58.251 58.200 0.124 0.000 0.858 152 S CB 1.884 65.123 63.200 0.065 0.000 1.114 152 S HN 0.686 nan 8.310 nan 0.000 0.468 153 A N 2.837 125.553 122.820 -0.174 0.000 2.067 153 A HA 0.267 4.587 4.320 0.001 0.000 0.219 153 A C 0.706 178.098 177.584 -0.320 0.000 1.158 153 A CA 0.737 52.368 52.037 -0.675 0.000 0.661 153 A CB -0.269 18.336 19.000 -0.658 0.000 0.801 153 A HN 0.699 nan 8.150 nan 0.000 0.452 154 L N 0.485 121.617 121.223 -0.151 0.000 2.345 154 L HA 0.473 4.813 4.340 0.001 0.000 0.274 154 L C -0.874 175.963 176.870 -0.056 0.000 0.999 154 L CA -0.097 54.680 54.840 -0.105 0.000 0.849 154 L CB 1.575 43.587 42.059 -0.077 0.000 1.220 154 L HN 0.163 nan 8.230 nan 0.000 0.422 155 T N 2.976 117.500 114.554 -0.050 0.000 2.956 155 T HA 0.489 4.840 4.350 0.001 0.000 0.312 155 T C -1.060 173.645 174.700 0.008 0.000 1.151 155 T CA -0.285 61.814 62.100 -0.002 0.000 1.024 155 T CB 1.850 70.740 68.868 0.036 0.000 1.140 155 T HN 0.138 nan 8.240 nan 0.000 0.473 156 V N 3.745 123.679 119.914 0.034 0.000 2.465 156 V HA 0.720 4.841 4.120 0.001 0.000 0.279 156 V C 0.691 176.858 176.094 0.122 0.000 1.045 156 V CA -0.671 61.665 62.300 0.060 0.000 0.938 156 V CB 1.042 32.897 31.823 0.053 0.000 0.986 156 V HN 1.077 nan 8.190 nan 0.000 0.467 157 A N 3.604 126.523 122.820 0.166 0.000 2.290 157 A HA 0.584 4.905 4.320 0.001 0.000 0.310 157 A C -0.486 177.257 177.584 0.265 0.000 1.202 157 A CA -0.373 51.828 52.037 0.273 0.000 0.837 157 A CB 0.087 19.334 19.000 0.412 0.000 1.139 157 A HN 0.999 nan 8.150 nan 0.000 0.509 158 H N 1.518 120.673 119.070 0.141 0.000 2.473 158 H HA 0.521 5.078 4.556 0.001 0.000 0.327 158 H C 0.876 176.197 175.328 -0.013 0.000 1.105 158 H CA 1.174 57.259 56.048 0.062 0.000 1.280 158 H CB 0.906 30.692 29.762 0.039 0.000 1.450 158 H HN 1.509 nan 8.280 nan 0.000 0.492 159 G N 3.566 112.003 108.800 -0.606 0.000 2.806 159 G HA2 -0.318 3.643 3.960 0.001 0.000 0.236 159 G HA3 -0.318 3.643 3.960 0.001 0.000 0.236 159 G C 0.790 175.383 174.900 -0.510 0.000 1.387 159 G CA 0.287 45.098 45.100 -0.482 0.000 0.884 159 G HN 0.884 nan 8.290 nan 0.000 0.560 160 E N -0.466 119.477 120.200 -0.428 0.000 2.418 160 E HA 0.026 4.376 4.350 0.001 0.000 0.197 160 E C 2.124 178.439 176.600 -0.474 0.000 1.026 160 E CA 0.967 57.049 56.400 -0.529 0.000 0.862 160 E CB 0.019 29.617 29.700 -0.170 0.000 0.799 160 E HN 0.573 nan 8.360 nan 0.000 0.518 161 R N -0.086 120.214 120.500 -0.333 0.000 2.276 161 R HA 0.133 4.474 4.340 0.001 0.000 0.196 161 R C -0.322 176.009 176.300 0.053 0.000 0.961 161 R CA 0.166 56.168 56.100 -0.164 0.000 1.024 161 R CB -0.218 29.853 30.300 -0.381 0.000 0.940 161 R HN 0.107 nan 8.270 nan 0.000 0.480 162 F N 1.719 121.763 119.950 0.156 0.000 2.905 162 F HA -0.214 4.314 4.527 0.001 0.000 0.311 162 F C -0.766 175.132 175.800 0.163 0.000 1.005 162 F CA 0.100 58.226 58.000 0.211 0.000 1.029 162 F CB -1.500 37.712 39.000 0.355 0.000 1.151 162 F HN 0.073 nan 8.300 nan 0.000 0.805 163 D N 1.434 121.961 120.400 0.212 0.000 2.317 163 D HA 0.231 4.871 4.640 0.001 0.000 0.252 163 D C 0.791 177.210 176.300 0.199 0.000 1.174 163 D CA 0.313 54.403 54.000 0.150 0.000 0.866 163 D CB 1.307 42.168 40.800 0.102 0.000 1.127 163 D HN 0.339 nan 8.370 nan 0.000 0.467 164 T N -1.750 112.915 114.554 0.185 0.000 2.928 164 T HA 0.506 4.856 4.350 0.001 0.000 0.284 164 T C 1.165 175.945 174.700 0.134 0.000 1.008 164 T CA -0.169 62.039 62.100 0.179 0.000 1.057 164 T CB 1.760 70.744 68.868 0.193 0.000 1.018 164 T HN 0.535 nan 8.240 nan 0.000 0.493 165 G N 0.376 109.245 108.800 0.116 0.000 2.153 165 G HA2 -0.140 3.821 3.960 0.001 0.000 0.252 165 G HA3 -0.140 3.821 3.960 0.001 0.000 0.252 165 G C 0.086 175.034 174.900 0.080 0.000 0.994 165 G CA 0.286 45.444 45.100 0.098 0.000 0.698 165 G HN 1.835 nan 8.290 nan 0.000 0.521 166 V N -3.678 116.279 119.914 0.072 0.000 3.046 166 V HA 0.982 5.102 4.120 0.001 0.000 0.316 166 V C 0.070 176.178 176.094 0.023 0.000 1.104 166 V CA -0.165 62.154 62.300 0.032 0.000 1.006 166 V CB 2.012 33.834 31.823 -0.003 0.000 1.058 166 V HN 0.641 nan 8.190 nan 0.000 0.440 167 T N 0.566 115.114 114.554 -0.010 0.000 2.907 167 T HA 0.428 4.779 4.350 0.001 0.000 0.292 167 T C -0.901 173.737 174.700 -0.103 0.000 1.043 167 T CA -0.405 61.684 62.100 -0.018 0.000 1.003 167 T CB 1.704 70.597 68.868 0.042 0.000 1.084 167 T HN 1.034 nan 8.240 nan 0.000 0.483 168 E N 2.814 122.937 120.200 -0.128 0.000 2.081 168 E HA 0.452 4.803 4.350 0.001 0.000 0.281 168 E C -0.902 175.668 176.600 -0.049 0.000 0.986 168 E CA -0.562 55.748 56.400 -0.151 0.000 0.796 168 E CB 0.728 30.312 29.700 -0.193 0.000 1.085 168 E HN 0.378 nan 8.360 nan 0.000 0.398 169 V N 3.854 123.744 119.914 -0.040 0.000 2.432 169 V HA 0.174 4.295 4.120 0.001 0.000 0.271 169 V C -0.024 176.066 176.094 -0.007 0.000 1.046 169 V CA -0.401 61.890 62.300 -0.015 0.000 0.945 169 V CB 1.343 33.158 31.823 -0.013 0.000 0.992 169 V HN 0.581 nan 8.190 nan 0.000 0.471 170 S N 4.087 119.789 115.700 0.003 0.000 2.437 170 S HA 0.645 5.116 4.470 0.001 0.000 0.305 170 S C -0.377 174.227 174.600 0.007 0.000 1.109 170 S CA -0.568 57.636 58.200 0.007 0.000 1.099 170 S CB 1.665 64.873 63.200 0.013 0.000 1.004 170 S HN 0.468 nan 8.310 nan 0.000 0.475 171 V N 3.587 123.506 119.914 0.008 0.000 2.376 171 V HA 0.536 4.657 4.120 0.001 0.000 0.287 171 V C 0.163 176.262 176.094 0.008 0.000 1.015 171 V CA -0.774 61.530 62.300 0.007 0.000 0.834 171 V CB 1.319 33.147 31.823 0.007 0.000 1.001 171 V HN 0.979 nan 8.190 nan 0.000 0.428 172 T N 3.305 117.863 114.554 0.007 0.000 2.855 172 T HA 0.669 5.020 4.350 0.001 0.000 0.281 172 T C -2.863 171.841 174.700 0.006 0.000 1.007 172 T CA -2.436 59.669 62.100 0.007 0.000 1.009 172 T CB 2.303 71.176 68.868 0.008 0.000 0.983 172 T HN 0.438 nan 8.240 nan 0.000 0.455 173 P HA 0.387 nan 4.420 nan 0.000 0.286 173 P C 0.254 177.557 177.300 0.004 0.000 1.269 173 P CA -0.431 62.672 63.100 0.005 0.000 0.787 173 P CB 1.242 32.945 31.700 0.005 0.000 0.920 174 A N 4.354 127.176 122.820 0.004 0.000 3.470 174 A HA 0.584 4.905 4.320 0.001 0.000 0.174 174 A C 0.656 178.242 177.584 0.003 0.000 1.652 174 A CA 0.841 52.880 52.037 0.003 0.000 0.777 174 A CB -0.928 18.074 19.000 0.003 0.000 1.128 174 A HN 0.644 nan 8.150 nan 0.000 0.452 175 A N -1.299 121.522 122.820 0.003 0.000 2.498 175 A HA 0.560 4.881 4.320 0.001 0.000 0.298 175 A C -0.350 177.235 177.584 0.002 0.000 1.075 175 A CA -0.327 51.712 52.037 0.002 0.000 0.714 175 A CB 0.548 19.550 19.000 0.002 0.000 1.299 175 A HN 0.638 nan 8.150 nan 0.000 0.407 176 E N 0.323 120.524 120.200 0.002 0.000 3.025 176 E HA 0.174 4.525 4.350 0.001 0.000 0.248 176 E C 1.306 177.907 176.600 0.001 0.000 0.938 176 E CA 1.673 58.074 56.400 0.002 0.000 0.958 176 E CB -0.217 29.484 29.700 0.002 0.000 0.898 176 E HN 1.810 nan 8.360 nan 0.000 0.537 177 G N 3.923 112.724 108.800 0.001 0.000 2.284 177 G HA2 -0.304 3.657 3.960 0.001 0.000 0.230 177 G HA3 -0.304 3.657 3.960 0.001 0.000 0.230 177 G C 0.124 175.025 174.900 0.001 0.000 1.021 177 G CA 0.215 45.315 45.100 0.001 0.000 0.619 177 G HN 0.605 nan 8.290 nan 0.000 0.510 178 E N 2.092 122.292 120.200 0.001 0.000 2.373 178 E HA 0.383 4.733 4.350 0.001 0.000 0.267 178 E C -2.237 174.364 176.600 0.001 0.000 1.032 178 E CA -1.640 54.761 56.400 0.001 0.000 0.889 178 E CB 0.814 30.515 29.700 0.001 0.000 0.984 178 E HN 0.174 nan 8.360 nan 0.000 0.425 179 P HA -0.056 nan 4.420 nan 0.000 0.266 179 P C -1.071 176.230 177.300 0.001 0.000 1.195 179 P CA 0.144 63.244 63.100 0.001 0.000 0.768 179 P CB 0.590 32.289 31.700 -0.000 0.000 0.838 180 A N 2.803 125.624 122.820 0.002 0.000 2.445 180 A HA 0.140 4.461 4.320 0.001 0.000 0.242 180 A C 0.077 177.662 177.584 0.003 0.000 1.075 180 A CA 0.034 52.073 52.037 0.003 0.000 0.777 180 A CB -0.215 18.788 19.000 0.003 0.000 1.013 180 A HN 0.435 nan 8.150 nan 0.000 0.493 181 D N 1.102 121.504 120.400 0.004 0.000 2.280 181 D HA 0.436 5.077 4.640 0.001 0.000 0.243 181 D C -0.743 175.560 176.300 0.005 0.000 1.129 181 D CA 0.193 54.195 54.000 0.004 0.000 0.848 181 D CB 1.490 42.294 40.800 0.005 0.000 1.107 181 D HN 0.126 nan 8.370 nan 0.000 0.471 182 V N 2.747 122.664 119.914 0.005 0.000 2.409 182 V HA 0.213 4.334 4.120 0.001 0.000 0.291 182 V C -0.167 175.931 176.094 0.007 0.000 1.020 182 V CA -0.848 61.455 62.300 0.005 0.000 0.848 182 V CB 1.867 33.691 31.823 0.001 0.000 0.990 182 V HN 0.421 nan 8.190 nan 0.000 0.430 183 D N 3.445 123.851 120.400 0.011 0.000 2.217 183 D HA 0.445 5.086 4.640 0.001 0.000 0.243 183 D C 0.662 176.972 176.300 0.017 0.000 1.054 183 D CA -0.481 53.528 54.000 0.016 0.000 0.838 183 D CB 1.694 42.507 40.800 0.020 0.000 1.162 183 D HN 0.413 nan 8.370 nan 0.000 0.472 184 L N 3.327 124.564 121.223 0.023 0.000 2.591 184 L HA 0.307 4.647 4.340 0.001 0.000 0.228 184 L C 1.595 178.488 176.870 0.039 0.000 1.133 184 L CA 0.291 55.146 54.840 0.025 0.000 0.880 184 L CB -1.055 41.019 42.059 0.026 0.000 1.033 184 L HN 0.824 nan 8.230 nan 0.000 0.450 185 G N 0.735 109.563 108.800 0.046 0.000 2.527 185 G HA2 -0.419 3.542 3.960 0.001 0.000 0.268 185 G HA3 -0.419 3.542 3.960 0.001 0.000 0.268 185 G C 0.928 175.880 174.900 0.088 0.000 1.175 185 G CA 0.365 45.500 45.100 0.059 0.000 0.962 185 G HN 0.253 nan 8.290 nan 0.000 0.560 186 A N -0.417 122.463 122.820 0.101 0.000 1.986 186 A HA 0.274 4.594 4.320 0.001 0.000 0.220 186 A C 2.714 180.417 177.584 0.199 0.000 1.171 186 A CA 3.405 55.519 52.037 0.127 0.000 0.640 186 A CB -0.801 18.270 19.000 0.119 0.000 0.811 186 A HN 2.361 nan 8.150 nan 0.000 0.451 187 A N -0.411 122.516 122.820 0.178 0.000 2.302 187 A HA 0.226 4.547 4.320 0.001 0.000 0.219 187 A C 0.373 178.046 177.584 0.147 0.000 1.243 187 A CA -0.273 51.895 52.037 0.218 0.000 0.856 187 A CB -0.159 18.968 19.000 0.210 0.000 0.893 187 A HN 0.400 nan 8.150 nan 0.000 0.491 188 E N -0.074 120.216 120.200 0.151 0.000 2.415 188 E HA 0.274 4.625 4.350 0.001 0.000 0.260 188 E C 1.196 177.891 176.600 0.159 0.000 1.016 188 E CA 1.081 57.552 56.400 0.118 0.000 0.924 188 E CB 0.472 30.236 29.700 0.107 0.000 0.961 188 E HN 0.668 nan 8.360 nan 0.000 0.459 189 G N 3.316 112.140 108.800 0.040 0.000 2.199 189 G HA2 -0.372 3.589 3.960 0.001 0.000 0.254 189 G HA3 -0.372 3.589 3.960 0.001 0.000 0.254 189 G C 0.542 175.280 174.900 -0.271 0.000 0.982 189 G CA 0.627 45.712 45.100 -0.026 0.000 0.632 189 G HN 0.598 nan 8.290 nan 0.000 0.529 190 Y N 0.866 120.887 120.300 -0.466 0.000 2.439 190 Y HA 0.715 5.266 4.550 0.001 0.000 0.281 190 Y C 1.805 177.591 175.900 -0.191 0.000 1.145 190 Y CA 1.410 59.241 58.100 -0.449 0.000 1.252 190 Y CB -0.261 37.906 38.460 -0.487 0.000 1.271 190 Y HN 0.636 nan 8.280 nan 0.000 0.516 191 A N 1.671 124.331 122.820 -0.266 0.000 2.351 191 A HA 0.288 4.609 4.320 0.001 0.000 0.257 191 A C -0.279 177.201 177.584 -0.174 0.000 1.087 191 A CA -0.444 51.429 52.037 -0.273 0.000 0.798 191 A CB -0.028 18.910 19.000 -0.105 0.000 1.033 191 A HN 0.520 nan 8.150 nan 0.000 0.488 192 E N 0.036 120.140 120.200 -0.159 0.000 2.266 192 E HA 0.319 4.669 4.350 0.001 0.000 0.277 192 E C -1.206 175.352 176.600 -0.070 0.000 1.018 192 E CA -0.667 55.670 56.400 -0.104 0.000 0.840 192 E CB 1.590 31.230 29.700 -0.100 0.000 1.082 192 E HN 0.449 nan 8.360 nan 0.000 0.395 193 L N 3.224 124.418 121.223 -0.049 0.000 2.257 193 L HA 0.217 4.558 4.340 0.001 0.000 0.290 193 L C -0.655 176.196 176.870 -0.031 0.000 1.044 193 L CA -0.136 54.683 54.840 -0.034 0.000 0.810 193 L CB 0.846 42.892 42.059 -0.022 0.000 1.193 193 L HN 0.301 nan 8.230 nan 0.000 0.425 194 D N 3.607 123.989 120.400 -0.030 0.000 2.479 194 D HA 0.156 4.797 4.640 0.001 0.000 0.247 194 D C -0.786 175.503 176.300 -0.018 0.000 1.119 194 D CA -0.229 53.757 54.000 -0.025 0.000 0.922 194 D CB 0.210 40.993 40.800 -0.028 0.000 1.014 194 D HN 0.462 nan 8.370 nan 0.000 0.510 195 N N 2.813 121.505 118.700 -0.014 0.000 2.558 195 N HA 0.174 4.915 4.740 0.001 0.000 0.233 195 N C -0.005 175.501 175.510 -0.008 0.000 1.038 195 N CA -0.168 52.876 53.050 -0.010 0.000 0.934 195 N CB 0.284 38.767 38.487 -0.007 0.000 1.175 195 N HN 0.269 nan 8.380 nan 0.000 0.512 196 R N 1.429 121.925 120.500 -0.007 0.000 2.552 196 R HA 0.350 4.691 4.340 0.001 0.000 0.314 196 R C -0.128 176.171 176.300 -0.002 0.000 1.041 196 R CA -0.339 55.758 56.100 -0.005 0.000 1.076 196 R CB 0.597 30.893 30.300 -0.006 0.000 1.290 196 R HN 0.405 nan 8.270 nan 0.000 0.563 197 A N 0.849 123.668 122.820 -0.002 0.000 2.331 197 A HA 0.408 4.729 4.320 0.001 0.000 0.283 197 A C -0.250 177.335 177.584 0.001 0.000 1.142 197 A CA -0.308 51.730 52.037 0.001 0.000 0.812 197 A CB 1.085 20.086 19.000 0.002 0.000 1.074 197 A HN 0.097 nan 8.150 nan 0.000 0.497 198 V N 2.033 121.948 119.914 0.002 0.000 2.881 198 V HA 0.582 4.703 4.120 0.001 0.000 0.316 198 V C 0.313 176.408 176.094 0.002 0.000 1.070 198 V CA -0.348 61.953 62.300 0.002 0.000 0.976 198 V CB 2.297 34.121 31.823 0.001 0.000 1.038 198 V HN 0.964 nan 8.190 nan 0.000 0.446 199 T N 4.244 118.799 114.554 0.002 0.000 2.780 199 T HA 0.549 4.900 4.350 0.001 0.000 0.294 199 T C 0.258 174.959 174.700 0.003 0.000 0.949 199 T CA 0.234 62.335 62.100 0.003 0.000 1.074 199 T CB 1.023 69.892 68.868 0.003 0.000 0.910 199 T HN 1.017 nan 8.240 nan 0.000 0.501 200 G N 1.257 110.059 108.800 0.003 0.000 2.502 200 G HA2 0.610 4.570 3.960 0.001 0.000 0.305 200 G HA3 0.610 4.570 3.960 0.001 0.000 0.305 200 G C -0.014 174.887 174.900 0.003 0.000 1.190 200 G CA -0.914 44.188 45.100 0.003 0.000 0.933 200 G HN 0.986 nan 8.290 nan 0.000 0.503 201 A N -0.367 122.454 122.820 0.002 0.000 2.466 201 A HA 0.555 4.875 4.320 0.001 0.000 0.238 201 A C 1.110 178.696 177.584 0.002 0.000 1.074 201 A CA 0.429 52.468 52.037 0.002 0.000 0.774 201 A CB -0.193 18.808 19.000 0.002 0.000 1.015 201 A HN 1.961 nan 8.150 nan 0.000 0.498 202 A N 0.691 123.512 122.820 0.002 0.000 2.546 202 A HA 0.472 4.793 4.320 0.001 0.000 0.243 202 A C 1.621 179.206 177.584 0.002 0.000 1.063 202 A CA 0.838 52.876 52.037 0.003 0.000 0.757 202 A CB -0.897 18.104 19.000 0.002 0.000 0.991 202 A HN 2.780 nan 8.150 nan 0.000 0.503 203 G N 1.592 110.394 108.800 0.003 0.000 2.159 203 G HA2 -0.175 3.785 3.960 0.001 0.000 0.256 203 G HA3 -0.175 3.785 3.960 0.001 0.000 0.256 203 G C 0.561 175.463 174.900 0.002 0.000 0.977 203 G CA 0.925 46.026 45.100 0.002 0.000 0.652 203 G HN 2.112 nan 8.290 nan 0.000 0.531 204 S N -0.173 115.529 115.700 0.003 0.000 2.681 204 S HA 0.822 5.293 4.470 0.001 0.000 0.270 204 S C 0.723 175.325 174.600 0.003 0.000 1.209 204 S CA 0.350 58.552 58.200 0.003 0.000 0.988 204 S CB 1.851 65.052 63.200 0.003 0.000 1.006 204 S HN 1.892 nan 8.310 nan 0.000 0.558 205 A N 1.416 124.238 122.820 0.003 0.000 2.425 205 A HA 0.319 4.640 4.320 0.001 0.000 0.249 205 A C 0.436 178.023 177.584 0.005 0.000 1.084 205 A CA -0.503 51.536 52.037 0.004 0.000 0.781 205 A CB -0.399 18.603 19.000 0.003 0.000 1.019 205 A HN 0.802 nan 8.150 nan 0.000 0.490 206 N N 1.669 120.373 118.700 0.006 0.000 2.439 206 N HA 0.114 4.855 4.740 0.001 0.000 0.243 206 N C 0.546 176.061 175.510 0.008 0.000 1.088 206 N CA 0.568 53.622 53.050 0.007 0.000 0.940 206 N CB 0.603 39.095 38.487 0.007 0.000 1.180 206 N HN 0.647 nan 8.380 nan 0.000 0.505 207 T N 1.195 115.754 114.554 0.009 0.000 3.243 207 T HA 0.177 4.528 4.350 0.001 0.000 0.264 207 T C 0.600 175.308 174.700 0.013 0.000 1.000 207 T CA -0.555 61.551 62.100 0.010 0.000 0.901 207 T CB -0.286 68.587 68.868 0.008 0.000 1.083 207 T HN 0.212 nan 8.240 nan 0.000 0.559 208 L N 2.466 123.698 121.223 0.014 0.000 2.462 208 L HA 0.456 4.797 4.340 0.001 0.000 0.272 208 L C -0.568 176.316 176.870 0.024 0.000 1.166 208 L CA 0.145 54.995 54.840 0.016 0.000 0.880 208 L CB 0.693 42.761 42.059 0.015 0.000 1.142 208 L HN 0.165 nan 8.230 nan 0.000 0.473 209 V N 6.944 126.873 119.914 0.025 0.000 2.588 209 V HA 0.467 4.587 4.120 0.001 0.000 0.304 209 V C -0.185 175.926 176.094 0.029 0.000 1.042 209 V CA -0.496 61.825 62.300 0.036 0.000 0.877 209 V CB 1.839 33.683 31.823 0.035 0.000 0.996 209 V HN 0.546 nan 8.190 nan 0.000 0.425 210 I N 4.106 124.699 120.570 0.039 0.000 2.410 210 I HA 0.511 4.682 4.170 0.001 0.000 0.286 210 I C -0.829 175.288 176.117 -0.001 0.000 1.009 210 I CA -0.158 61.152 61.300 0.017 0.000 1.111 210 I CB 1.712 39.722 38.000 0.017 0.000 1.262 210 I HN 0.521 nan 8.210 nan 0.000 0.443 211 D N 4.844 125.225 120.400 -0.032 0.000 2.423 211 D HA 0.437 5.078 4.640 0.001 0.000 0.235 211 D C -0.853 175.388 176.300 -0.099 0.000 1.011 211 D CA -0.763 53.193 54.000 -0.075 0.000 0.963 211 D CB 2.260 43.036 40.800 -0.039 0.000 1.349 211 D HN 0.369 nan 8.370 nan 0.000 0.508 212 R N 2.196 122.611 120.500 -0.141 0.000 2.358 212 R HA 0.449 4.790 4.340 0.001 0.000 0.309 212 R C -2.489 173.757 176.300 -0.090 0.000 1.026 212 R CA -1.685 54.349 56.100 -0.110 0.000 0.909 212 R CB 1.163 31.389 30.300 -0.122 0.000 1.153 212 R HN 0.206 nan 8.270 nan 0.000 0.515 213 P HA -0.137 nan 4.420 nan 0.000 0.265 213 P C -0.287 176.992 177.300 -0.036 0.000 1.187 213 P CA -0.136 62.938 63.100 -0.042 0.000 0.766 213 P CB 0.699 32.379 31.700 -0.034 0.000 0.820 214 V N 3.996 123.896 119.914 -0.023 0.000 2.617 214 V HA 0.208 4.329 4.120 0.001 0.000 0.304 214 V C 1.468 177.558 176.094 -0.006 0.000 1.040 214 V CA 1.963 64.258 62.300 -0.009 0.000 1.149 214 V CB -0.537 31.290 31.823 0.008 0.000 0.914 214 V HN 0.995 nan 8.190 nan 0.000 0.487 215 G N 3.699 112.499 108.800 -0.000 0.000 2.179 215 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 215 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 215 G C 0.319 175.212 174.900 -0.012 0.000 0.977 215 G CA 0.855 45.956 45.100 0.001 0.000 0.641 215 G HN 1.662 nan 8.290 nan 0.000 0.533 216 T N -2.862 111.676 114.554 -0.025 0.000 2.949 216 T HA 0.640 4.991 4.350 0.001 0.000 0.287 216 T C 0.193 174.859 174.700 -0.057 0.000 1.034 216 T CA -0.073 62.002 62.100 -0.043 0.000 1.018 216 T CB 2.011 70.851 68.868 -0.047 0.000 1.135 216 T HN 0.185 nan 8.240 nan 0.000 0.532 217 N N -0.010 118.636 118.700 -0.091 0.000 2.467 217 N HA 0.275 5.016 4.740 0.001 0.000 0.278 217 N C -1.038 174.388 175.510 -0.139 0.000 1.306 217 N CA -0.352 52.620 53.050 -0.130 0.000 0.905 217 N CB 0.270 38.622 38.487 -0.226 0.000 1.236 217 N HN 0.662 nan 8.380 nan 0.000 0.509 218 T N 1.121 115.617 114.554 -0.096 0.000 2.779 218 T HA 0.383 4.734 4.350 0.001 0.000 0.280 218 T C -0.031 174.628 174.700 -0.068 0.000 0.987 218 T CA -0.495 61.555 62.100 -0.083 0.000 0.966 218 T CB 1.016 69.844 68.868 -0.067 0.000 0.933 218 T HN -0.006 nan 8.240 nan 0.000 0.442 219 I N 3.302 123.836 120.570 -0.061 0.000 2.301 219 I HA 0.393 4.564 4.170 0.001 0.000 0.292 219 I C 0.608 176.701 176.117 -0.040 0.000 1.046 219 I CA -0.851 60.419 61.300 -0.050 0.000 1.282 219 I CB 0.125 38.101 38.000 -0.039 0.000 1.409 219 I HN 0.659 nan 8.210 nan 0.000 0.484 220 A N 7.636 130.433 122.820 -0.038 0.000 2.253 220 A HA 0.626 4.946 4.320 0.001 0.000 0.316 220 A C -0.265 177.308 177.584 -0.019 0.000 1.327 220 A CA -0.462 51.558 52.037 -0.028 0.000 0.917 220 A CB 0.533 19.517 19.000 -0.027 0.000 1.162 220 A HN 0.443 nan 8.150 nan 0.000 0.535 221 V N 3.371 123.277 119.914 -0.013 0.000 2.398 221 V HA 0.690 4.811 4.120 0.001 0.000 0.286 221 V C 0.491 176.583 176.094 -0.003 0.000 1.026 221 V CA -0.007 62.290 62.300 -0.005 0.000 0.868 221 V CB 1.045 32.865 31.823 -0.004 0.000 0.982 221 V HN 1.066 nan 8.190 nan 0.000 0.443 222 T N 0.891 115.447 114.554 0.002 0.000 2.865 222 T HA 0.943 5.294 4.350 0.001 0.000 0.294 222 T C 0.081 174.785 174.700 0.007 0.000 1.119 222 T CA -0.083 62.019 62.100 0.003 0.000 1.007 222 T CB 1.874 70.743 68.868 0.003 0.000 1.225 222 T HN 1.932 nan 8.240 nan 0.000 0.515 223 G N 0.340 109.144 108.800 0.006 0.000 2.582 223 G HA2 0.252 4.213 3.960 0.001 0.000 0.222 223 G HA3 0.252 4.213 3.960 0.001 0.000 0.222 223 G C -0.405 174.498 174.900 0.006 0.000 1.311 223 G CA -0.208 44.896 45.100 0.007 0.000 0.915 223 G HN 1.690 nan 8.290 nan 0.000 0.528 224 S N -1.042 114.662 115.700 0.006 0.000 2.561 224 S HA 0.655 5.125 4.470 0.001 0.000 0.303 224 S C -0.814 173.790 174.600 0.006 0.000 1.110 224 S CA -0.403 57.800 58.200 0.005 0.000 1.034 224 S CB 1.308 64.510 63.200 0.004 0.000 1.010 224 S HN 1.696 nan 8.310 nan 0.000 0.482 225 L N 6.967 128.194 121.223 0.006 0.000 2.305 225 L HA 0.682 5.023 4.340 0.001 0.000 0.284 225 L C -2.569 174.304 176.870 0.005 0.000 1.013 225 L CA -1.881 52.962 54.840 0.006 0.000 0.819 225 L CB 1.287 43.350 42.059 0.007 0.000 1.227 225 L HN 0.416 nan 8.230 nan 0.000 0.417 226 P HA 0.098 nan 4.420 nan 0.000 0.267 226 P C -0.076 177.226 177.300 0.004 0.000 1.200 226 P CA 0.075 63.178 63.100 0.004 0.000 0.772 226 P CB 0.747 32.449 31.700 0.004 0.000 0.855 227 A N 2.834 125.656 122.820 0.004 0.000 2.015 227 A HA -0.149 4.172 4.320 0.001 0.000 0.219 227 A C 1.311 178.898 177.584 0.004 0.000 1.163 227 A CA 1.666 53.705 52.037 0.003 0.000 0.646 227 A CB -0.984 18.018 19.000 0.003 0.000 0.806 227 A HN 0.633 nan 8.150 nan 0.000 0.448 228 D N -0.287 120.116 120.400 0.004 0.000 2.325 228 D HA 0.384 5.025 4.640 0.001 0.000 0.225 228 D C 0.443 176.746 176.300 0.004 0.000 1.096 228 D CA 0.495 54.497 54.000 0.004 0.000 0.844 228 D CB -0.390 40.412 40.800 0.003 0.000 0.925 228 D HN 0.315 nan 8.370 nan 0.000 0.513 229 A N 0.288 123.111 122.820 0.005 0.000 2.293 229 A HA 0.681 5.002 4.320 0.001 0.000 0.302 229 A C 0.489 178.076 177.584 0.006 0.000 1.119 229 A CA -0.309 51.731 52.037 0.005 0.000 0.823 229 A CB 0.815 19.819 19.000 0.006 0.000 1.097 229 A HN 0.316 nan 8.150 nan 0.000 0.491 230 A N 2.223 125.047 122.820 0.006 0.000 2.366 230 A HA 0.591 4.912 4.320 0.001 0.000 0.249 230 A C -2.246 175.342 177.584 0.008 0.000 1.084 230 A CA -1.135 50.907 52.037 0.007 0.000 0.794 230 A CB -0.808 18.197 19.000 0.007 0.000 1.034 230 A HN 0.640 nan 8.150 nan 0.000 0.491 231 P HA 0.185 nan 4.420 nan 0.000 0.265 231 P C -0.789 176.517 177.300 0.010 0.000 1.187 231 P CA 0.013 63.118 63.100 0.009 0.000 0.766 231 P CB 0.363 32.070 31.700 0.010 0.000 0.820 232 V N 3.807 123.727 119.914 0.010 0.000 2.407 232 V HA 0.281 4.401 4.120 0.001 0.000 0.278 232 V C 0.324 176.423 176.094 0.010 0.000 1.037 232 V CA 0.182 62.489 62.300 0.011 0.000 0.900 232 V CB 1.175 33.005 31.823 0.012 0.000 0.983 232 V HN 0.536 nan 8.190 nan 0.000 0.459 233 T N 4.584 119.143 114.554 0.009 0.000 2.809 233 T HA 0.766 5.117 4.350 0.001 0.000 0.284 233 T C -0.267 174.433 174.700 0.000 0.000 0.992 233 T CA -0.349 61.754 62.100 0.004 0.000 0.957 233 T CB 1.546 70.420 68.868 0.009 0.000 0.942 233 T HN 0.914 nan 8.240 nan 0.000 0.439 234 A N 3.452 126.267 122.820 -0.009 0.000 2.422 234 A HA 0.789 5.109 4.320 0.001 0.000 0.302 234 A C -0.959 176.603 177.584 -0.038 0.000 1.041 234 A CA -0.775 51.260 52.037 -0.003 0.000 0.708 234 A CB 1.063 20.077 19.000 0.022 0.000 1.257 234 A HN 0.821 nan 8.150 nan 0.000 0.414 235 L N 3.047 124.248 121.223 -0.037 0.000 2.265 235 L HA 0.513 4.854 4.340 0.001 0.000 0.288 235 L C 0.097 176.949 176.870 -0.030 0.000 1.058 235 L CA -0.507 54.289 54.840 -0.073 0.000 0.809 235 L CB 0.637 42.649 42.059 -0.077 0.000 1.179 235 L HN 0.609 nan 8.230 nan 0.000 0.429 236 R N 1.311 121.779 120.500 -0.053 0.000 2.670 236 R HA 0.427 4.768 4.340 0.001 0.000 0.289 236 R C -0.222 176.045 176.300 -0.055 0.000 0.965 236 R CA -0.704 55.355 56.100 -0.070 0.000 0.899 236 R CB 2.097 32.350 30.300 -0.079 0.000 1.173 236 R HN 0.679 nan 8.270 nan 0.000 0.456 237 T N -1.537 112.973 114.554 -0.074 0.000 2.860 237 T HA 0.368 4.719 4.350 0.001 0.000 0.299 237 T C 0.784 175.485 174.700 0.003 0.000 1.045 237 T CA -0.640 61.445 62.100 -0.025 0.000 1.071 237 T CB 0.775 69.621 68.868 -0.036 0.000 0.985 237 T HN 0.373 nan 8.240 nan 0.000 0.537 238 V N -1.234 118.715 119.914 0.060 0.000 3.019 238 V HA 0.653 4.774 4.120 0.001 0.000 0.317 238 V C -0.429 175.738 176.094 0.122 0.000 1.094 238 V CA -1.306 61.061 62.300 0.111 0.000 1.000 238 V CB 1.631 33.594 31.823 0.232 0.000 1.060 238 V HN 0.938 nan 8.190 nan 0.000 0.443 239 D N 1.641 122.116 120.400 0.125 0.000 2.350 239 D HA 0.250 4.891 4.640 0.001 0.000 0.249 239 D C -0.044 176.384 176.300 0.213 0.000 1.119 239 D CA 0.685 54.758 54.000 0.122 0.000 0.886 239 D CB 0.384 41.216 40.800 0.055 0.000 1.195 239 D HN 0.785 nan 8.370 nan 0.000 0.437 240 E N 2.525 122.822 120.200 0.162 0.000 2.560 240 E HA -0.154 4.197 4.350 0.001 0.000 0.158 240 E C -1.903 174.770 176.600 0.121 0.000 1.709 240 E CA 0.042 56.533 56.400 0.152 0.000 0.653 240 E CB -0.826 28.981 29.700 0.179 0.000 1.090 240 E HN 0.501 nan 8.360 nan 0.000 0.355 241 P HA -0.255 nan 4.420 nan 0.000 0.216 241 P C 1.351 178.645 177.300 -0.011 0.000 1.154 241 P CA 2.499 65.627 63.100 0.046 0.000 0.865 241 P CB 0.163 31.902 31.700 0.066 0.000 0.789 242 A N -0.502 122.320 122.820 0.003 0.000 1.930 242 A HA -0.044 4.277 4.320 0.001 0.000 0.217 242 A C 2.295 179.850 177.584 -0.048 0.000 1.175 242 A CA 1.842 53.868 52.037 -0.018 0.000 0.627 242 A CB -1.479 17.525 19.000 0.007 0.000 0.815 242 A HN 0.201 nan 8.150 nan 0.000 0.443 243 A N -0.513 122.278 122.820 -0.049 0.000 1.969 243 A HA 0.008 4.329 4.320 0.001 0.000 0.218 243 A C 2.087 179.408 177.584 -0.439 0.000 1.169 243 A CA 1.633 53.605 52.037 -0.108 0.000 0.635 243 A CB -0.505 18.542 19.000 0.079 0.000 0.810 243 A HN 0.638 nan 8.150 nan 0.000 0.445 244 L N -0.254 120.602 121.223 -0.610 0.000 2.056 244 L HA 0.010 4.351 4.340 0.001 0.000 0.207 244 L C 2.646 179.386 176.870 -0.217 0.000 1.078 244 L CA 2.056 56.498 54.840 -0.664 0.000 0.749 244 L CB -0.868 40.940 42.059 -0.418 0.000 0.901 244 L HN 0.326 nan 8.230 nan 0.000 0.433 245 A N -0.322 122.422 122.820 -0.125 0.000 1.892 245 A HA -0.153 4.167 4.320 0.001 0.000 0.218 245 A C 2.356 179.932 177.584 -0.013 0.000 1.188 245 A CA 1.830 53.836 52.037 -0.052 0.000 0.631 245 A CB -1.683 17.285 19.000 -0.054 0.000 0.822 245 A HN 0.541 nan 8.150 nan 0.000 0.447 246 G N -1.278 107.507 108.800 -0.024 0.000 2.418 246 G HA2 -0.315 3.646 3.960 0.001 0.000 0.217 246 G HA3 -0.315 3.646 3.960 0.001 0.000 0.217 246 G C 1.481 176.416 174.900 0.057 0.000 1.158 246 G CA 1.533 46.654 45.100 0.035 0.000 0.771 246 G HN 0.784 nan 8.290 nan 0.000 0.545 247 H N 0.653 119.662 119.070 -0.102 0.000 2.319 247 H HA 0.031 4.588 4.556 0.001 0.000 0.299 247 H C 2.475 177.789 175.328 -0.024 0.000 1.092 247 H CA 1.675 57.679 56.048 -0.074 0.000 1.302 247 H CB -0.375 29.297 29.762 -0.150 0.000 1.373 247 H HN 0.282 nan 8.280 nan 0.000 0.497 248 L N -1.186 119.934 121.223 -0.172 0.000 2.093 248 L HA -0.128 4.213 4.340 0.001 0.000 0.208 248 L C 2.222 179.066 176.870 -0.043 0.000 1.085 248 L CA 1.066 55.809 54.840 -0.161 0.000 0.755 248 L CB -0.477 41.558 42.059 -0.040 0.000 0.904 248 L HN 0.261 nan 8.230 nan 0.000 0.435 249 F N 0.838 120.715 119.950 -0.122 0.000 2.171 249 F HA -0.197 4.330 4.527 0.001 0.000 0.300 249 F C 2.583 178.329 175.800 -0.089 0.000 1.090 249 F CA 1.406 59.353 58.000 -0.087 0.000 1.293 249 F CB -0.200 38.764 39.000 -0.059 0.000 1.013 249 F HN 0.083 nan 8.300 nan 0.000 0.486 250 E N 0.481 120.612 120.200 -0.114 0.000 2.058 250 E HA -0.242 4.109 4.350 0.001 0.000 0.194 250 E C 2.104 178.570 176.600 -0.224 0.000 0.997 250 E CA 1.760 58.051 56.400 -0.182 0.000 0.801 250 E CB -0.177 29.472 29.700 -0.085 0.000 0.746 250 E HN 0.567 nan 8.360 nan 0.000 0.450 251 E N -0.056 120.007 120.200 -0.228 0.000 2.110 251 E HA -0.163 4.187 4.350 0.001 0.000 0.193 251 E C 1.994 178.485 176.600 -0.181 0.000 0.988 251 E CA 0.862 57.142 56.400 -0.199 0.000 0.804 251 E CB -0.100 29.460 29.700 -0.233 0.000 0.745 251 E HN 0.256 nan 8.360 nan 0.000 0.458 252 A N 1.096 123.794 122.820 -0.203 0.000 1.930 252 A HA -0.145 4.176 4.320 0.001 0.000 0.217 252 A C 2.172 179.596 177.584 -0.266 0.000 1.175 252 A CA 0.958 52.882 52.037 -0.189 0.000 0.627 252 A CB -0.545 18.381 19.000 -0.122 0.000 0.815 252 A HN 0.119 nan 8.150 nan 0.000 0.443 253 L N -1.092 119.874 121.223 -0.428 0.000 2.017 253 L HA -0.198 4.143 4.340 0.001 0.000 0.208 253 L C 2.605 179.345 176.870 -0.216 0.000 1.073 253 L CA 1.789 56.394 54.840 -0.392 0.000 0.745 253 L CB -0.472 41.291 42.059 -0.495 0.000 0.894 253 L HN 0.418 nan 8.230 nan 0.000 0.432 254 E N -0.547 119.544 120.200 -0.182 0.000 2.150 254 E HA -0.159 4.192 4.350 0.001 0.000 0.193 254 E C 2.261 178.805 176.600 -0.094 0.000 0.985 254 E CA 1.093 57.422 56.400 -0.118 0.000 0.814 254 E CB 0.116 29.757 29.700 -0.099 0.000 0.752 254 E HN 0.285 nan 8.360 nan 0.000 0.466 255 S N 0.666 116.305 115.700 -0.101 0.000 2.419 255 S HA -0.068 4.403 4.470 0.001 0.000 0.233 255 S C 1.154 175.714 174.600 -0.067 0.000 1.016 255 S CA 0.696 58.851 58.200 -0.075 0.000 0.974 255 S CB -0.078 63.079 63.200 -0.073 0.000 0.786 255 S HN 0.294 nan 8.310 nan 0.000 0.492 256 N N 0.350 118.999 118.700 -0.085 0.000 2.320 256 N HA 0.193 4.934 4.740 0.001 0.000 0.237 256 N C 0.850 176.323 175.510 -0.062 0.000 1.129 256 N CA 0.506 53.515 53.050 -0.068 0.000 0.854 256 N CB 0.871 39.313 38.487 -0.075 0.000 1.083 256 N HN 0.466 nan 8.380 nan 0.000 0.504 257 G N 0.372 109.136 108.800 -0.060 0.000 2.148 257 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 257 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 257 G C -0.019 174.849 174.900 -0.053 0.000 0.981 257 G CA 0.005 45.075 45.100 -0.049 0.000 0.670 257 G HN 0.202 nan 8.290 nan 0.000 0.528 258 V N 2.010 121.879 119.914 -0.075 0.000 2.328 258 V HA 0.522 4.643 4.120 0.001 0.000 0.278 258 V C 0.606 176.652 176.094 -0.081 0.000 1.021 258 V CA -0.050 62.204 62.300 -0.077 0.000 0.838 258 V CB 1.367 33.130 31.823 -0.100 0.000 0.999 258 V HN 0.343 nan 8.190 nan 0.000 0.447 259 T N 4.430 118.950 114.554 -0.057 0.000 2.780 259 T HA 0.474 4.825 4.350 0.001 0.000 0.294 259 T C -0.057 174.614 174.700 -0.049 0.000 0.949 259 T CA -0.388 61.682 62.100 -0.051 0.000 1.074 259 T CB 1.383 70.231 68.868 -0.035 0.000 0.910 259 T HN 0.329 nan 8.240 nan 0.000 0.501 260 V N 4.885 124.766 119.914 -0.055 0.000 2.370 260 V HA 0.267 4.388 4.120 0.001 0.000 0.279 260 V C 1.061 177.133 176.094 -0.036 0.000 1.029 260 V CA -0.696 61.575 62.300 -0.049 0.000 0.870 260 V CB 1.387 33.170 31.823 -0.067 0.000 0.984 260 V HN 0.787 nan 8.190 nan 0.000 0.451 261 K N 3.075 123.459 120.400 -0.027 0.000 2.128 261 K HA 0.174 4.495 4.320 0.001 0.000 0.202 261 K C 1.231 177.817 176.600 -0.024 0.000 1.050 261 K CA 0.854 57.130 56.287 -0.019 0.000 0.966 261 K CB 0.175 32.670 32.500 -0.009 0.000 0.759 261 K HN 0.765 nan 8.250 nan 0.000 0.454 262 G N 1.385 110.165 108.800 -0.033 0.000 2.508 262 G HA2 0.100 4.061 3.960 0.001 0.000 0.278 262 G HA3 0.100 4.061 3.960 0.001 0.000 0.278 262 G C -0.249 174.607 174.900 -0.072 0.000 1.389 262 G CA -0.439 44.631 45.100 -0.049 0.000 1.050 262 G HN 0.026 nan 8.290 nan 0.000 0.522 263 D N -1.297 119.041 120.400 -0.103 0.000 2.387 263 D HA 0.399 5.040 4.640 0.001 0.000 0.251 263 D C -0.278 175.919 176.300 -0.172 0.000 1.141 263 D CA -0.062 53.875 54.000 -0.104 0.000 0.987 263 D CB 1.902 42.650 40.800 -0.086 0.000 1.116 263 D HN 0.017 nan 8.370 nan 0.000 0.491 264 V N 0.063 119.908 119.914 -0.115 0.000 2.417 264 V HA 0.730 4.851 4.120 0.001 0.000 0.291 264 V C 0.708 176.743 176.094 -0.098 0.000 1.024 264 V CA -0.318 61.908 62.300 -0.125 0.000 0.861 264 V CB 1.306 33.118 31.823 -0.018 0.000 0.985 264 V HN 0.769 nan 8.190 nan 0.000 0.436 265 G N 3.319 112.031 108.800 -0.147 0.000 2.682 265 G HA2 0.623 4.584 3.960 0.001 0.000 0.303 265 G HA3 0.623 4.584 3.960 0.001 0.000 0.303 265 G C -1.627 173.315 174.900 0.069 0.000 1.341 265 G CA -0.946 44.142 45.100 -0.020 0.000 0.784 265 G HN 0.555 nan 8.290 nan 0.000 0.497 266 L N 0.502 121.809 121.223 0.139 0.000 2.326 266 L HA 0.699 5.039 4.340 0.001 0.000 0.278 266 L C 0.677 177.703 176.870 0.259 0.000 1.092 266 L CA -0.190 54.750 54.840 0.166 0.000 0.810 266 L CB 1.344 43.471 42.059 0.113 0.000 1.153 266 L HN 0.854 nan 8.230 nan 0.000 0.439 267 G N 1.215 110.150 108.800 0.225 0.000 2.702 267 G HA2 0.509 4.470 3.960 0.001 0.000 0.296 267 G HA3 0.509 4.470 3.960 0.001 0.000 0.296 267 G C -1.095 173.905 174.900 0.167 0.000 1.463 267 G CA -0.457 44.695 45.100 0.087 0.000 0.890 267 G HN 0.742 nan 8.290 nan 0.000 0.534 268 G N -0.394 108.427 108.800 0.036 0.000 2.367 268 G HA2 0.544 4.505 3.960 0.001 0.000 0.314 268 G HA3 0.544 4.505 3.960 0.001 0.000 0.314 268 G C 0.132 174.783 174.900 -0.416 0.000 1.130 268 G CA -0.460 44.598 45.100 -0.071 0.000 0.864 268 G HN 0.966 nan 8.290 nan 0.000 0.486 269 V N 3.704 123.200 119.914 -0.695 0.000 2.509 269 V HA 0.021 4.142 4.120 0.001 0.000 0.297 269 V C -1.492 174.020 176.094 -0.969 0.000 1.014 269 V CA -0.603 60.913 62.300 -1.306 0.000 1.127 269 V CB 0.541 31.878 31.823 -0.810 0.000 0.925 269 V HN 0.574 nan 8.190 nan 0.000 0.480 270 P HA 0.087 nan 4.420 nan 0.000 0.265 270 P C 0.578 177.593 177.300 -0.474 0.000 1.193 270 P CA 0.148 62.772 63.100 -0.793 0.000 0.765 270 P CB 0.744 31.867 31.700 -0.962 0.000 0.823 271 A N 3.651 126.324 122.820 -0.246 0.000 2.067 271 A HA -0.173 4.148 4.320 0.001 0.000 0.219 271 A C 1.720 179.288 177.584 -0.027 0.000 1.158 271 A CA 1.633 53.603 52.037 -0.111 0.000 0.661 271 A CB -0.861 18.092 19.000 -0.078 0.000 0.801 271 A HN 0.677 nan 8.150 nan 0.000 0.452 272 D N -1.875 118.520 120.400 -0.008 0.000 2.363 272 D HA -0.115 4.526 4.640 0.001 0.000 0.220 272 D C -0.319 176.125 176.300 0.239 0.000 0.994 272 D CA -0.115 53.942 54.000 0.095 0.000 0.890 272 D CB -0.278 40.578 40.800 0.094 0.000 0.906 272 D HN 0.394 nan 8.370 nan 0.000 0.530 273 W N 2.407 123.674 121.300 -0.056 0.000 2.529 273 W HA 0.170 4.830 4.660 0.001 0.000 0.319 273 W C 1.443 177.938 176.519 -0.040 0.000 1.362 273 W CA -0.711 56.602 57.345 -0.052 0.000 1.348 273 W CB 0.816 30.226 29.460 -0.083 0.000 1.403 273 W HN -0.011 nan 8.180 nan 0.000 0.519 274 Q N 1.220 121.093 119.800 0.122 0.000 2.062 274 Q HA -0.103 4.238 4.340 0.001 0.000 0.196 274 Q C -0.054 175.968 176.000 0.037 0.000 0.967 274 Q CA 1.333 57.171 55.803 0.058 0.000 0.832 274 Q CB 0.106 28.857 28.738 0.022 0.000 0.899 274 Q HN 0.426 nan 8.270 nan 0.000 0.442 275 D N -0.645 119.757 120.400 0.004 0.000 2.472 275 D HA 0.373 5.014 4.640 0.001 0.000 0.248 275 D C -1.398 174.879 176.300 -0.038 0.000 1.271 275 D CA -0.104 53.892 54.000 -0.006 0.000 0.888 275 D CB 0.525 41.312 40.800 -0.020 0.000 1.337 275 D HN 0.128 nan 8.370 nan 0.000 0.526 276 A N 2.288 125.119 122.820 0.018 0.000 2.498 276 A HA 0.350 4.671 4.320 0.001 0.000 0.239 276 A C 0.423 177.995 177.584 -0.021 0.000 1.068 276 A CA -0.003 52.037 52.037 0.004 0.000 0.766 276 A CB 0.434 19.576 19.000 0.238 0.000 1.003 276 A HN 0.454 nan 8.150 nan 0.000 0.497 277 E N 1.765 121.925 120.200 -0.066 0.000 2.130 277 E HA 0.414 4.765 4.350 0.001 0.000 0.284 277 E C -0.941 175.670 176.600 0.020 0.000 1.018 277 E CA -0.193 56.188 56.400 -0.032 0.000 0.817 277 E CB 0.875 30.540 29.700 -0.060 0.000 1.078 277 E HN 0.313 nan 8.360 nan 0.000 0.396 278 V N 7.656 127.585 119.914 0.024 0.000 2.372 278 V HA 0.067 4.188 4.120 0.001 0.000 0.261 278 V C 1.081 177.196 176.094 0.035 0.000 1.055 278 V CA 0.093 62.415 62.300 0.037 0.000 0.930 278 V CB 0.490 32.323 31.823 0.017 0.000 1.031 278 V HN 0.807 nan 8.190 nan 0.000 0.479 279 L N 3.980 125.237 121.223 0.057 0.000 2.416 279 L HA 0.480 4.821 4.340 0.001 0.000 0.216 279 L C 0.943 177.852 176.870 0.065 0.000 1.098 279 L CA 0.698 55.573 54.840 0.059 0.000 0.840 279 L CB 0.107 42.214 42.059 0.080 0.000 0.981 279 L HN 0.724 nan 8.230 nan 0.000 0.462 280 A N 0.164 123.024 122.820 0.066 0.000 2.566 280 A HA 0.597 4.918 4.320 0.001 0.000 0.297 280 A C -1.859 175.742 177.584 0.028 0.000 1.059 280 A CA -0.588 51.487 52.037 0.062 0.000 0.691 280 A CB 1.417 20.483 19.000 0.111 0.000 1.282 280 A HN 0.136 nan 8.150 nan 0.000 0.401 281 D N -0.423 119.993 120.400 0.027 0.000 2.596 281 D HA 0.681 5.322 4.640 0.001 0.000 0.262 281 D C -0.859 175.482 176.300 0.068 0.000 1.210 281 D CA -0.319 53.688 54.000 0.012 0.000 0.873 281 D CB 1.021 41.807 40.800 -0.023 0.000 1.408 281 D HN 0.741 nan 8.370 nan 0.000 0.441 282 H N -1.620 117.410 119.070 -0.066 0.000 2.974 282 H HA 0.673 5.230 4.556 0.001 0.000 0.366 282 H C -1.534 173.753 175.328 -0.069 0.000 1.155 282 H CA -0.355 55.659 56.048 -0.057 0.000 1.186 282 H CB 2.228 31.958 29.762 -0.053 0.000 1.799 282 H HN 0.378 nan 8.280 nan 0.000 0.541 283 T N 3.292 117.405 114.554 -0.734 0.000 2.807 283 T HA 0.379 4.730 4.350 0.001 0.000 0.279 283 T C -0.150 174.106 174.700 -0.741 0.000 0.993 283 T CA -0.554 61.214 62.100 -0.553 0.000 0.970 283 T CB 1.008 69.684 68.868 -0.319 0.000 0.950 283 T HN 0.746 nan 8.240 nan 0.000 0.441 284 S N 2.441 117.926 115.700 -0.357 0.000 2.617 284 S HA 0.650 5.121 4.470 0.001 0.000 0.259 284 S C 0.788 175.322 174.600 -0.111 0.000 1.301 284 S CA -0.727 57.383 58.200 -0.149 0.000 0.984 284 S CB 0.305 63.523 63.200 0.031 0.000 0.954 284 S HN 0.966 nan 8.310 nan 0.000 0.572 285 A N 0.591 123.385 122.820 -0.042 0.000 2.429 285 A HA 0.285 4.606 4.320 0.001 0.000 0.242 285 A C 0.571 178.157 177.584 0.003 0.000 1.088 285 A CA -0.340 51.690 52.037 -0.012 0.000 0.784 285 A CB -0.442 18.573 19.000 0.026 0.000 1.038 285 A HN 0.886 nan 8.150 nan 0.000 0.501 286 E N -0.585 119.617 120.200 0.005 0.000 2.392 286 E HA 0.120 4.471 4.350 0.001 0.000 0.259 286 E C 0.793 177.438 176.600 0.075 0.000 1.108 286 E CA -0.549 55.855 56.400 0.006 0.000 0.916 286 E CB 0.496 30.197 29.700 0.002 0.000 0.989 286 E HN 0.568 nan 8.360 nan 0.000 0.432 287 L N 2.569 123.849 121.223 0.095 0.000 2.127 287 L HA -0.238 4.102 4.340 0.001 0.000 0.211 287 L C 2.243 179.194 176.870 0.135 0.000 1.089 287 L CA 2.234 57.165 54.840 0.153 0.000 0.757 287 L CB -0.717 41.428 42.059 0.142 0.000 0.899 287 L HN 0.658 nan 8.230 nan 0.000 0.434 288 S N -1.312 114.454 115.700 0.110 0.000 2.383 288 S HA -0.193 4.278 4.470 0.001 0.000 0.229 288 S C 1.757 176.439 174.600 0.136 0.000 1.030 288 S CA 1.259 59.532 58.200 0.122 0.000 1.002 288 S CB -0.619 62.648 63.200 0.111 0.000 0.829 288 S HN 0.573 nan 8.310 nan 0.000 0.467 289 E N 1.590 121.866 120.200 0.127 0.000 2.107 289 E HA 0.106 4.457 4.350 0.001 0.000 0.191 289 E C 2.190 178.904 176.600 0.191 0.000 0.982 289 E CA 0.837 57.324 56.400 0.146 0.000 0.809 289 E CB -0.474 29.297 29.700 0.119 0.000 0.756 289 E HN 0.633 nan 8.360 nan 0.000 0.459 290 I N 1.135 121.807 120.570 0.170 0.000 2.614 290 I HA -0.193 3.977 4.170 0.001 0.000 0.258 290 I C 2.341 178.633 176.117 0.292 0.000 1.189 290 I CA 0.526 61.932 61.300 0.178 0.000 1.462 290 I CB -0.260 37.781 38.000 0.067 0.000 1.092 290 I HN 0.021 nan 8.210 nan 0.000 0.442 291 L N 0.104 121.494 121.223 0.279 0.000 2.187 291 L HA -0.195 4.146 4.340 0.001 0.000 0.213 291 L C 2.527 179.544 176.870 0.244 0.000 1.100 291 L CA 0.963 55.998 54.840 0.323 0.000 0.765 291 L CB -0.481 41.708 42.059 0.216 0.000 0.904 291 L HN 0.132 nan 8.230 nan 0.000 0.437 292 V N 0.362 120.414 119.914 0.230 0.000 2.244 292 V HA -0.137 3.984 4.120 0.001 0.000 0.244 292 V C -0.232 175.978 176.094 0.192 0.000 1.042 292 V CA 1.881 64.287 62.300 0.176 0.000 1.006 292 V CB -1.835 30.129 31.823 0.235 0.000 0.641 292 V HN 0.364 nan 8.190 nan 0.000 0.446 293 P HA -0.180 nan 4.420 nan 0.000 0.223 293 P C 1.754 179.333 177.300 0.466 0.000 1.151 293 P CA 1.496 64.900 63.100 0.507 0.000 0.787 293 P CB -0.146 32.003 31.700 0.748 0.000 0.788 294 F N 0.400 120.556 119.950 0.344 0.000 2.075 294 F HA -0.163 4.365 4.527 0.002 0.000 0.297 294 F C 2.058 177.912 175.800 0.091 0.000 1.113 294 F CA 1.310 59.488 58.000 0.297 0.000 1.218 294 F CB -0.210 39.010 39.000 0.368 0.000 0.984 294 F HN -0.281 nan 8.300 nan 0.000 0.472 295 M N 0.226 119.651 119.600 -0.291 0.000 2.357 295 M HA -0.044 4.436 4.480 0.001 0.000 0.266 295 M C 1.898 177.969 176.300 -0.382 0.000 1.095 295 M CA 0.990 55.983 55.300 -0.511 0.000 1.156 295 M CB -0.907 31.390 32.600 -0.505 0.000 1.365 295 M HN 0.064 nan 8.290 nan 0.000 0.447 296 K N 0.199 120.347 120.400 -0.420 0.000 2.097 296 K HA -0.069 4.251 4.320 0.001 0.000 0.206 296 K C 1.512 177.673 176.600 -0.732 0.000 1.049 296 K CA 1.401 57.279 56.287 -0.683 0.000 0.933 296 K CB -0.247 31.611 32.500 -1.070 0.000 0.717 296 K HN 0.306 nan 8.250 nan 0.000 0.442 297 F N -0.008 119.844 119.950 -0.163 0.000 2.678 297 F HA 0.239 4.767 4.527 0.001 0.000 0.305 297 F C 0.553 176.290 175.800 -0.106 0.000 1.090 297 F CA -0.507 57.405 58.000 -0.146 0.000 1.272 297 F CB 0.163 39.063 39.000 -0.167 0.000 1.060 297 F HN -0.247 nan 8.300 nan 0.000 0.576 298 S N 1.394 117.089 115.700 -0.009 0.000 3.727 298 S HA -0.288 4.183 4.470 0.001 0.000 0.444 298 S C -0.024 174.630 174.600 0.090 0.000 0.867 298 S CA 0.003 58.189 58.200 -0.022 0.000 1.324 298 S CB -1.820 61.351 63.200 -0.049 0.000 0.890 298 S HN 0.594 nan 8.310 nan 0.000 0.599 299 N N 1.739 120.556 118.700 0.194 0.000 2.401 299 N HA 0.323 5.064 4.740 0.001 0.000 0.255 299 N C 1.169 176.841 175.510 0.270 0.000 1.110 299 N CA -0.581 52.561 53.050 0.153 0.000 0.949 299 N CB 0.415 38.810 38.487 -0.154 0.000 1.110 299 N HN 0.370 nan 8.380 nan 0.000 0.490 300 N N 2.536 121.346 118.700 0.183 0.000 2.080 300 N HA -0.094 4.647 4.740 0.001 0.000 0.189 300 N C 1.821 177.482 175.510 0.251 0.000 1.036 300 N CA 1.232 54.407 53.050 0.208 0.000 0.846 300 N CB -0.642 37.908 38.487 0.105 0.000 1.015 300 N HN 0.682 nan 8.380 nan 0.000 0.423 301 G N 1.091 110.020 108.800 0.215 0.000 2.476 301 G HA2 -0.304 3.657 3.960 0.001 0.000 0.218 301 G HA3 -0.304 3.657 3.960 0.001 0.000 0.218 301 G C 1.255 176.301 174.900 0.243 0.000 1.164 301 G CA 1.262 46.511 45.100 0.249 0.000 0.768 301 G HN 0.357 nan 8.290 nan 0.000 0.560 302 H N 1.036 120.119 119.070 0.022 0.000 2.289 302 H HA -0.069 4.488 4.556 0.001 0.000 0.294 302 H C 2.903 177.999 175.328 -0.385 0.000 1.095 302 H CA 1.424 57.339 56.048 -0.222 0.000 1.256 302 H CB -0.879 28.685 29.762 -0.330 0.000 1.359 302 H HN 0.388 nan 8.280 nan 0.000 0.487 303 A N 1.151 123.891 122.820 -0.133 0.000 1.902 303 A HA -0.164 4.156 4.320 0.001 0.000 0.217 303 A C 2.244 179.892 177.584 0.108 0.000 1.181 303 A CA 1.759 53.783 52.037 -0.022 0.000 0.623 303 A CB -0.136 19.087 19.000 0.373 0.000 0.818 303 A HN 0.353 nan 8.150 nan 0.000 0.443 304 E N -0.284 120.046 120.200 0.217 0.000 2.107 304 E HA -0.116 4.235 4.350 0.001 0.000 0.191 304 E C 2.037 178.609 176.600 -0.046 0.000 0.982 304 E CA 1.092 57.642 56.400 0.250 0.000 0.809 304 E CB -0.483 29.532 29.700 0.524 0.000 0.756 304 E HN 0.729 nan 8.360 nan 0.000 0.459 305 M N 0.282 119.883 119.600 0.001 0.000 2.175 305 M HA -0.092 4.389 4.480 0.001 0.000 0.264 305 M C 2.361 178.636 176.300 -0.042 0.000 1.063 305 M CA 1.093 56.412 55.300 0.033 0.000 1.119 305 M CB -0.269 32.387 32.600 0.094 0.000 1.377 305 M HN 0.042 nan 8.290 nan 0.000 0.415 306 L N -0.718 120.453 121.223 -0.087 0.000 2.083 306 L HA -0.176 4.164 4.340 0.001 0.000 0.209 306 L C 2.390 179.226 176.870 -0.057 0.000 1.083 306 L CA 0.721 55.532 54.840 -0.050 0.000 0.752 306 L CB -0.604 41.398 42.059 -0.095 0.000 0.899 306 L HN 0.120 nan 8.230 nan 0.000 0.433 307 V N -0.015 119.845 119.914 -0.090 0.000 2.295 307 V HA -0.284 3.837 4.120 0.001 0.000 0.246 307 V C 2.458 178.386 176.094 -0.277 0.000 1.049 307 V CA 1.759 63.996 62.300 -0.105 0.000 1.024 307 V CB -0.469 31.354 31.823 -0.000 0.000 0.648 307 V HN 0.441 nan 8.190 nan 0.000 0.447 308 K N -0.199 119.863 120.400 -0.563 0.000 2.155 308 K HA -0.067 4.254 4.320 0.001 0.000 0.203 308 K C 2.375 178.613 176.600 -0.604 0.000 1.052 308 K CA 1.426 57.175 56.287 -0.897 0.000 0.948 308 K CB -0.269 31.133 32.500 -1.830 0.000 0.728 308 K HN 0.377 nan 8.250 nan 0.000 0.448 309 S N 1.660 117.222 115.700 -0.229 0.000 2.382 309 S HA -0.083 4.388 4.470 0.001 0.000 0.228 309 S C 2.020 176.642 174.600 0.037 0.000 1.027 309 S CA 0.944 59.260 58.200 0.193 0.000 0.991 309 S CB -0.202 63.267 63.200 0.448 0.000 0.823 309 S HN 0.190 nan 8.310 nan 0.000 0.469 310 I N 1.539 122.083 120.570 -0.042 0.000 2.163 310 I HA -0.184 3.987 4.170 0.001 0.000 0.243 310 I C 2.712 178.779 176.117 -0.084 0.000 1.085 310 I CA 1.252 62.519 61.300 -0.054 0.000 1.347 310 I CB -0.882 37.094 38.000 -0.040 0.000 1.044 310 I HN 0.379 nan 8.210 nan 0.000 0.408 311 G N -0.229 108.482 108.800 -0.148 0.000 2.476 311 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 311 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 311 G C 1.589 176.382 174.900 -0.178 0.000 1.164 311 G CA 0.523 45.520 45.100 -0.173 0.000 0.768 311 G HN 0.298 nan 8.290 nan 0.000 0.560 312 Q N -0.060 119.609 119.800 -0.219 0.000 2.020 312 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 312 Q C 2.527 178.468 176.000 -0.099 0.000 0.982 312 Q CA 1.699 57.342 55.803 -0.266 0.000 0.838 312 Q CB -0.422 28.050 28.738 -0.444 0.000 0.899 312 Q HN 0.557 nan 8.270 nan 0.000 0.423 313 E N -0.248 119.949 120.200 -0.004 0.000 2.160 313 E HA -0.125 4.226 4.350 0.001 0.000 0.195 313 E C 1.595 178.194 176.600 -0.001 0.000 0.991 313 E CA 1.598 58.017 56.400 0.031 0.000 0.810 313 E CB -0.125 29.582 29.700 0.012 0.000 0.742 313 E HN 0.161 nan 8.360 nan 0.000 0.466 314 T N -2.385 112.151 114.554 -0.030 0.000 3.015 314 T HA 0.433 4.784 4.350 0.001 0.000 0.250 314 T C 0.736 175.415 174.700 -0.035 0.000 1.057 314 T CA 0.673 62.757 62.100 -0.027 0.000 1.066 314 T CB 0.171 69.022 68.868 -0.028 0.000 0.959 314 T HN 0.198 nan 8.240 nan 0.000 0.488 315 A N -0.763 122.023 122.820 -0.058 0.000 2.716 315 A HA 0.594 4.915 4.320 0.001 0.000 0.252 315 A C 1.278 178.814 177.584 -0.081 0.000 1.144 315 A CA 0.593 52.593 52.037 -0.061 0.000 0.995 315 A CB -0.188 18.772 19.000 -0.065 0.000 1.252 315 A HN 0.675 nan 8.150 nan 0.000 0.593 316 G N -0.339 108.400 108.800 -0.102 0.000 2.283 316 G HA2 0.163 4.123 3.960 0.001 0.000 0.280 316 G HA3 0.163 4.123 3.960 0.001 0.000 0.280 316 G C 0.304 175.088 174.900 -0.193 0.000 1.029 316 G CA 0.595 45.610 45.100 -0.143 0.000 0.840 316 G HN 1.999 nan 8.290 nan 0.000 0.505 317 A N -0.445 122.244 122.820 -0.218 0.000 2.499 317 A HA 0.765 5.086 4.320 0.001 0.000 0.280 317 A C 0.508 177.916 177.584 -0.293 0.000 1.135 317 A CA 0.430 52.334 52.037 -0.222 0.000 0.744 317 A CB 1.227 20.138 19.000 -0.148 0.000 1.213 317 A HN 1.661 nan 8.150 nan 0.000 0.434 318 G N 2.555 111.141 108.800 -0.357 0.000 3.213 318 G HA2 0.455 4.416 3.960 0.001 0.000 0.263 318 G HA3 0.455 4.416 3.960 0.001 0.000 0.263 318 G C 0.296 174.901 174.900 -0.493 0.000 0.829 318 G CA 0.628 45.447 45.100 -0.469 0.000 1.983 318 G HN 1.159 nan 8.290 nan 0.000 0.616 319 T N -3.345 110.955 114.554 -0.423 0.000 2.896 319 T HA 0.350 4.701 4.350 0.001 0.000 0.297 319 T C 0.624 175.142 174.700 -0.303 0.000 1.108 319 T CA -0.931 60.969 62.100 -0.333 0.000 1.004 319 T CB 1.687 70.459 68.868 -0.160 0.000 1.159 319 T HN 0.189 nan 8.240 nan 0.000 0.499 320 W N 0.946 122.129 121.300 -0.196 0.000 2.355 320 W HA -0.054 4.607 4.660 0.001 0.000 0.309 320 W C 1.534 177.975 176.519 -0.129 0.000 1.206 320 W CA 1.593 58.839 57.345 -0.166 0.000 1.284 320 W CB -0.710 28.650 29.460 -0.167 0.000 1.145 320 W HN 0.796 nan 8.180 nan 0.000 0.502 321 D N -0.165 120.298 120.400 0.106 0.000 2.106 321 D HA -0.163 4.478 4.640 0.001 0.000 0.191 321 D C 2.226 178.524 176.300 -0.003 0.000 0.997 321 D CA 2.266 56.286 54.000 0.034 0.000 0.834 321 D CB -0.844 39.961 40.800 0.009 0.000 0.956 321 D HN 0.034 nan 8.370 nan 0.000 0.448 322 A N 0.430 123.226 122.820 -0.040 0.000 1.929 322 A HA 0.076 4.396 4.320 0.001 0.000 0.216 322 A C 2.344 179.891 177.584 -0.062 0.000 1.176 322 A CA 1.865 53.866 52.037 -0.061 0.000 0.628 322 A CB -0.878 18.065 19.000 -0.094 0.000 0.816 322 A HN 0.301 nan 8.150 nan 0.000 0.444 323 G N -0.301 108.449 108.800 -0.082 0.000 2.402 323 G HA2 -0.056 3.905 3.960 0.001 0.000 0.216 323 G HA3 -0.056 3.905 3.960 0.001 0.000 0.216 323 G C 1.345 176.243 174.900 -0.005 0.000 1.162 323 G CA 1.019 46.073 45.100 -0.077 0.000 0.777 323 G HN 0.318 nan 8.290 nan 0.000 0.539 324 L N 0.667 121.912 121.223 0.037 0.000 2.056 324 L HA 0.011 4.352 4.340 0.001 0.000 0.207 324 L C 3.146 180.030 176.870 0.022 0.000 1.078 324 L CA 0.727 55.597 54.840 0.050 0.000 0.749 324 L CB -1.026 41.070 42.059 0.061 0.000 0.901 324 L HN 0.091 nan 8.230 nan 0.000 0.433 325 V N -0.012 119.906 119.914 0.008 0.000 2.252 325 V HA -0.285 3.836 4.120 0.001 0.000 0.249 325 V C 2.608 178.705 176.094 0.005 0.000 1.056 325 V CA 1.986 64.286 62.300 0.001 0.000 1.022 325 V CB -1.441 30.377 31.823 -0.009 0.000 0.641 325 V HN 0.574 nan 8.190 nan 0.000 0.445 326 G N -0.303 108.496 108.800 -0.002 0.000 2.476 326 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 326 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 326 G C 1.680 176.593 174.900 0.022 0.000 1.164 326 G CA 1.406 46.506 45.100 0.001 0.000 0.768 326 G HN 0.384 nan 8.290 nan 0.000 0.560 327 V N 0.792 120.726 119.914 0.034 0.000 2.252 327 V HA -0.211 3.909 4.120 0.001 0.000 0.249 327 V C 2.757 178.893 176.094 0.070 0.000 1.056 327 V CA 2.265 64.605 62.300 0.065 0.000 1.022 327 V CB -0.419 31.456 31.823 0.086 0.000 0.641 327 V HN 0.428 nan 8.190 nan 0.000 0.445 328 E N 0.308 120.536 120.200 0.046 0.000 2.058 328 E HA -0.268 4.083 4.350 0.001 0.000 0.194 328 E C 2.213 178.839 176.600 0.044 0.000 0.997 328 E CA 1.967 58.390 56.400 0.038 0.000 0.801 328 E CB -0.129 29.579 29.700 0.013 0.000 0.746 328 E HN 0.731 nan 8.360 nan 0.000 0.450 329 E N -0.094 120.126 120.200 0.034 0.000 2.077 329 E HA -0.158 4.193 4.350 0.001 0.000 0.193 329 E C 2.022 178.648 176.600 0.045 0.000 0.989 329 E CA 1.106 57.525 56.400 0.032 0.000 0.800 329 E CB -0.166 29.547 29.700 0.020 0.000 0.746 329 E HN 0.328 nan 8.360 nan 0.000 0.452 330 A N 0.732 123.584 122.820 0.053 0.000 1.972 330 A HA -0.162 4.159 4.320 0.001 0.000 0.219 330 A C 2.115 179.753 177.584 0.090 0.000 1.169 330 A CA 1.077 53.155 52.037 0.069 0.000 0.635 330 A CB -0.490 18.550 19.000 0.068 0.000 0.810 330 A HN 0.131 nan 8.150 nan 0.000 0.446 331 L N -0.753 120.531 121.223 0.101 0.000 2.044 331 L HA -0.110 4.231 4.340 0.001 0.000 0.205 331 L C 2.841 179.766 176.870 0.090 0.000 1.075 331 L CA 1.347 56.261 54.840 0.124 0.000 0.747 331 L CB -0.493 41.672 42.059 0.176 0.000 0.903 331 L HN 0.288 nan 8.230 nan 0.000 0.435 332 S N 0.325 116.066 115.700 0.069 0.000 2.370 332 S HA -0.153 4.318 4.470 0.001 0.000 0.226 332 S C 2.019 176.643 174.600 0.040 0.000 1.033 332 S CA 1.342 59.571 58.200 0.048 0.000 1.011 332 S CB -0.753 62.468 63.200 0.036 0.000 0.852 332 S HN 0.605 nan 8.310 nan 0.000 0.457 333 G N 0.895 109.721 108.800 0.043 0.000 2.471 333 G HA2 -0.095 3.866 3.960 0.001 0.000 0.219 333 G HA3 -0.095 3.866 3.960 0.001 0.000 0.219 333 G C 1.228 176.149 174.900 0.035 0.000 1.125 333 G CA 0.374 45.497 45.100 0.037 0.000 0.775 333 G HN 0.419 nan 8.290 nan 0.000 0.548 334 L N 0.192 121.442 121.223 0.045 0.000 2.492 334 L HA 0.370 4.711 4.340 0.001 0.000 0.223 334 L C 1.918 178.789 176.870 0.001 0.000 1.132 334 L CA 1.385 56.242 54.840 0.027 0.000 0.850 334 L CB 0.045 42.140 42.059 0.060 0.000 0.966 334 L HN 0.371 nan 8.230 nan 0.000 0.454 335 G N -1.488 107.321 108.800 0.016 0.000 2.184 335 G HA2 -0.192 3.768 3.960 0.001 0.000 0.206 335 G HA3 -0.192 3.768 3.960 0.001 0.000 0.206 335 G C 0.144 175.059 174.900 0.024 0.000 0.995 335 G CA 0.022 45.128 45.100 0.010 0.000 0.651 335 G HN 0.146 nan 8.290 nan 0.000 0.511 336 V N 1.961 121.902 119.914 0.045 0.000 2.508 336 V HA 0.372 4.492 4.120 0.001 0.000 0.281 336 V C 0.543 176.678 176.094 0.068 0.000 1.041 336 V CA -0.181 62.162 62.300 0.072 0.000 1.016 336 V CB 1.601 33.498 31.823 0.124 0.000 0.984 336 V HN 0.372 nan 8.190 nan 0.000 0.478 337 D N 4.238 124.675 120.400 0.062 0.000 2.344 337 D HA 0.032 4.673 4.640 0.001 0.000 0.253 337 D C 1.148 177.482 176.300 0.057 0.000 1.255 337 D CA -0.033 53.996 54.000 0.049 0.000 0.894 337 D CB 1.218 42.042 40.800 0.039 0.000 1.067 337 D HN 0.736 nan 8.370 nan 0.000 0.492 338 T N 1.014 115.593 114.554 0.042 0.000 3.244 338 T HA 0.357 4.708 4.350 0.001 0.000 0.254 338 T C 1.588 176.285 174.700 -0.005 0.000 1.024 338 T CA 0.098 62.211 62.100 0.022 0.000 0.920 338 T CB 0.334 69.212 68.868 0.017 0.000 1.042 338 T HN 0.251 nan 8.240 nan 0.000 0.572 339 A N 1.824 124.647 122.820 0.005 0.000 1.908 339 A HA 0.201 4.522 4.320 0.001 0.000 0.218 339 A C 2.447 180.022 177.584 -0.015 0.000 1.181 339 A CA 1.454 53.489 52.037 -0.003 0.000 0.627 339 A CB -1.308 17.694 19.000 0.004 0.000 0.818 339 A HN 0.643 nan 8.150 nan 0.000 0.445 340 G N -1.445 107.345 108.800 -0.015 0.000 2.985 340 G HA2 0.355 4.316 3.960 0.001 0.000 0.209 340 G HA3 0.355 4.316 3.960 0.001 0.000 0.209 340 G C 0.413 175.276 174.900 -0.061 0.000 1.165 340 G CA -0.289 44.796 45.100 -0.025 0.000 0.776 340 G HN 0.372 nan 8.290 nan 0.000 0.541 341 L N 1.558 122.725 121.223 -0.093 0.000 2.305 341 L HA 0.394 4.735 4.340 0.001 0.000 0.281 341 L C -0.628 176.168 176.870 -0.123 0.000 1.085 341 L CA -0.510 54.229 54.840 -0.168 0.000 0.813 341 L CB 1.946 43.857 42.059 -0.247 0.000 1.157 341 L HN -0.181 nan 8.230 nan 0.000 0.436 342 V N 6.007 125.846 119.914 -0.126 0.000 2.378 342 V HA 0.356 4.477 4.120 0.001 0.000 0.288 342 V C -0.065 175.970 176.094 -0.099 0.000 1.016 342 V CA -0.492 61.753 62.300 -0.090 0.000 0.840 342 V CB 1.606 33.389 31.823 -0.065 0.000 0.994 342 V HN 0.504 nan 8.190 nan 0.000 0.431 343 L N 4.269 125.444 121.223 -0.081 0.000 2.272 343 L HA 0.554 4.895 4.340 0.001 0.000 0.289 343 L C 0.738 177.578 176.870 -0.051 0.000 1.032 343 L CA -0.184 54.619 54.840 -0.062 0.000 0.810 343 L CB 1.140 43.174 42.059 -0.040 0.000 1.205 343 L HN 0.563 nan 8.230 nan 0.000 0.422 344 N N 0.623 119.290 118.700 -0.055 0.000 2.297 344 N HA 0.025 4.766 4.740 0.001 0.000 0.208 344 N C -0.613 174.800 175.510 -0.162 0.000 1.176 344 N CA 0.199 53.186 53.050 -0.105 0.000 0.882 344 N CB 0.833 39.257 38.487 -0.105 0.000 1.134 344 N HN 0.840 nan 8.380 nan 0.000 0.489 345 D N -3.190 117.183 120.400 -0.045 0.000 2.759 345 D HA 0.327 4.968 4.640 0.001 0.000 0.321 345 D C 0.705 177.115 176.300 0.182 0.000 1.267 345 D CA -0.521 53.496 54.000 0.028 0.000 0.933 345 D CB 0.353 41.179 40.800 0.044 0.000 1.431 345 D HN -0.095 nan 8.370 nan 0.000 0.504 346 G N -1.204 107.779 108.800 0.305 0.000 2.719 346 G HA2 0.043 4.004 3.960 0.001 0.000 0.211 346 G HA3 0.043 4.004 3.960 0.001 0.000 0.211 346 G C 1.116 176.200 174.900 0.307 0.000 1.140 346 G CA 0.819 46.093 45.100 0.290 0.000 0.790 346 G HN 0.559 nan 8.290 nan 0.000 0.529 347 S N -0.815 115.075 115.700 0.316 0.000 2.421 347 S HA 0.365 4.836 4.470 0.001 0.000 0.224 347 S C 1.953 176.653 174.600 0.166 0.000 1.035 347 S CA 1.318 59.682 58.200 0.272 0.000 0.953 347 S CB 0.019 63.373 63.200 0.256 0.000 0.810 347 S HN 1.390 nan 8.310 nan 0.000 0.497 348 G N 0.864 109.744 108.800 0.134 0.000 2.218 348 G HA2 -0.206 3.755 3.960 0.001 0.000 0.216 348 G HA3 -0.206 3.755 3.960 0.001 0.000 0.216 348 G C 0.610 175.497 174.900 -0.021 0.000 0.994 348 G CA 0.217 45.350 45.100 0.054 0.000 0.637 348 G HN 0.411 nan 8.290 nan 0.000 0.505 349 L N 1.169 122.361 121.223 -0.053 0.000 2.042 349 L HA 0.059 4.400 4.340 0.001 0.000 0.210 349 L C 1.890 178.635 176.870 -0.209 0.000 1.076 349 L CA 1.897 56.578 54.840 -0.264 0.000 0.749 349 L CB -0.477 41.177 42.059 -0.675 0.000 0.893 349 L HN 0.434 nan 8.230 nan 0.000 0.432 350 S N -0.313 115.436 115.700 0.081 0.000 2.549 350 S HA 0.029 4.500 4.470 0.001 0.000 0.283 350 S C 1.117 175.690 174.600 -0.045 0.000 1.320 350 S CA -0.312 57.954 58.200 0.109 0.000 1.058 350 S CB 0.587 63.876 63.200 0.148 0.000 0.882 350 S HN 0.261 nan 8.310 nan 0.000 0.498 351 R N 3.239 123.678 120.500 -0.101 0.000 2.310 351 R HA 0.097 4.438 4.340 0.001 0.000 0.202 351 R C 1.676 177.947 176.300 -0.049 0.000 0.933 351 R CA 0.494 56.535 56.100 -0.098 0.000 1.054 351 R CB -0.096 30.126 30.300 -0.129 0.000 0.985 351 R HN 0.700 nan 8.270 nan 0.000 0.489 352 G N 0.351 109.126 108.800 -0.041 0.000 3.233 352 G HA2 -0.027 3.934 3.960 0.001 0.000 0.227 352 G HA3 -0.027 3.934 3.960 0.001 0.000 0.227 352 G C 0.081 174.954 174.900 -0.045 0.000 1.175 352 G CA -0.333 44.742 45.100 -0.040 0.000 0.781 352 G HN 0.110 nan 8.290 nan 0.000 0.542 353 N N 0.503 119.179 118.700 -0.040 0.000 2.498 353 N HA 0.528 5.269 4.740 0.001 0.000 0.287 353 N C -0.772 174.709 175.510 -0.048 0.000 1.097 353 N CA -0.017 53.006 53.050 -0.044 0.000 0.973 353 N CB 2.065 40.537 38.487 -0.026 0.000 1.153 353 N HN 0.004 nan 8.380 nan 0.000 0.472 354 L N 1.250 122.432 121.223 -0.068 0.000 2.408 354 L HA 0.591 4.931 4.340 0.001 0.000 0.268 354 L C -0.080 176.728 176.870 -0.103 0.000 0.986 354 L CA -1.002 53.800 54.840 -0.064 0.000 0.820 354 L CB 2.047 44.075 42.059 -0.051 0.000 1.303 354 L HN 0.246 nan 8.230 nan 0.000 0.411 355 V N -1.023 118.853 119.914 -0.064 0.000 3.155 355 V HA 0.905 5.026 4.120 0.001 0.000 0.313 355 V C -0.305 175.791 176.094 0.003 0.000 1.162 355 V CA -0.541 61.721 62.300 -0.062 0.000 1.048 355 V CB 2.046 33.879 31.823 0.017 0.000 1.092 355 V HN 0.822 nan 8.190 nan 0.000 0.447 356 T N -2.106 112.472 114.554 0.040 0.000 2.907 356 T HA 0.772 5.123 4.350 0.001 0.000 0.292 356 T C 0.912 175.672 174.700 0.099 0.000 1.043 356 T CA -0.038 62.097 62.100 0.059 0.000 1.003 356 T CB 1.693 70.588 68.868 0.045 0.000 1.084 356 T HN 1.654 nan 8.240 nan 0.000 0.483 357 A N 1.451 124.322 122.820 0.085 0.000 1.902 357 A HA -0.056 4.265 4.320 0.001 0.000 0.217 357 A C 1.949 179.585 177.584 0.086 0.000 1.181 357 A CA 1.784 53.874 52.037 0.088 0.000 0.623 357 A CB -1.092 17.958 19.000 0.084 0.000 0.818 357 A HN 0.918 nan 8.150 nan 0.000 0.443 358 D N -0.312 120.135 120.400 0.077 0.000 2.116 358 D HA -0.129 4.511 4.640 0.001 0.000 0.193 358 D C 2.073 178.427 176.300 0.090 0.000 0.998 358 D CA 2.022 56.064 54.000 0.070 0.000 0.836 358 D CB -0.650 40.183 40.800 0.055 0.000 0.951 358 D HN 0.456 nan 8.370 nan 0.000 0.449 359 T N 0.481 115.110 114.554 0.126 0.000 2.708 359 T HA -0.103 4.247 4.350 0.001 0.000 0.266 359 T C 2.297 177.156 174.700 0.264 0.000 1.037 359 T CA 1.030 63.253 62.100 0.205 0.000 1.146 359 T CB -0.466 68.536 68.868 0.224 0.000 0.865 359 T HN -0.014 nan 8.240 nan 0.000 0.435 360 V N 1.294 121.360 119.914 0.253 0.000 2.287 360 V HA -0.156 3.965 4.120 0.001 0.000 0.248 360 V C 2.702 178.764 176.094 -0.053 0.000 1.053 360 V CA 1.362 63.704 62.300 0.071 0.000 1.027 360 V CB -0.825 31.034 31.823 0.059 0.000 0.646 360 V HN 0.312 nan 8.190 nan 0.000 0.447 361 V N 0.400 120.311 119.914 -0.005 0.000 2.407 361 V HA -0.255 3.866 4.120 0.001 0.000 0.248 361 V C 2.407 178.506 176.094 0.008 0.000 1.055 361 V CA 2.218 64.508 62.300 -0.016 0.000 1.049 361 V CB -0.655 31.183 31.823 0.024 0.000 0.662 361 V HN 0.624 nan 8.190 nan 0.000 0.455 362 D N 0.215 120.637 120.400 0.036 0.000 2.092 362 D HA -0.190 4.451 4.640 0.001 0.000 0.193 362 D C 2.036 178.345 176.300 0.016 0.000 0.994 362 D CA 1.654 55.678 54.000 0.041 0.000 0.828 362 D CB -0.204 40.638 40.800 0.071 0.000 0.963 362 D HN 0.321 nan 8.370 nan 0.000 0.450 363 L N 0.322 121.541 121.223 -0.007 0.000 2.046 363 L HA -0.070 4.271 4.340 0.001 0.000 0.208 363 L C 2.356 179.184 176.870 -0.070 0.000 1.077 363 L CA 1.430 56.223 54.840 -0.078 0.000 0.747 363 L CB -0.629 41.273 42.059 -0.263 0.000 0.896 363 L HN 0.126 nan 8.230 nan 0.000 0.432 364 L N -0.621 120.581 121.223 -0.034 0.000 2.083 364 L HA -0.119 4.222 4.340 0.001 0.000 0.209 364 L C 2.479 179.475 176.870 0.210 0.000 1.083 364 L CA 1.236 56.121 54.840 0.076 0.000 0.752 364 L CB -1.249 40.693 42.059 -0.196 0.000 0.899 364 L HN 0.482 nan 8.230 nan 0.000 0.433 365 G N -1.215 107.644 108.800 0.100 0.000 2.394 365 G HA2 -0.269 3.692 3.960 0.001 0.000 0.214 365 G HA3 -0.269 3.692 3.960 0.001 0.000 0.214 365 G C 1.518 176.418 174.900 0.000 0.000 1.176 365 G CA 0.308 45.462 45.100 0.090 0.000 0.786 365 G HN 0.224 nan 8.290 nan 0.000 0.533 366 Q N 0.270 120.042 119.800 -0.047 0.000 2.119 366 Q HA 0.201 4.542 4.340 0.001 0.000 0.201 366 Q C 2.692 178.541 176.000 -0.251 0.000 0.972 366 Q CA 1.529 57.263 55.803 -0.115 0.000 0.847 366 Q CB -0.367 28.324 28.738 -0.079 0.000 0.903 366 Q HN 0.407 nan 8.270 nan 0.000 0.433 367 A N -0.657 121.983 122.820 -0.300 0.000 1.929 367 A HA 0.023 4.344 4.320 0.001 0.000 0.216 367 A C 2.146 179.361 177.584 -0.615 0.000 1.176 367 A CA 1.286 52.943 52.037 -0.633 0.000 0.628 367 A CB -0.972 17.503 19.000 -0.875 0.000 0.816 367 A HN 0.472 nan 8.150 nan 0.000 0.444 368 G N -0.349 108.312 108.800 -0.231 0.000 2.625 368 G HA2 0.001 3.962 3.960 0.001 0.000 0.214 368 G HA3 0.001 3.962 3.960 0.001 0.000 0.214 368 G C 1.378 176.151 174.900 -0.212 0.000 1.132 368 G CA 1.447 46.452 45.100 -0.158 0.000 0.782 368 G HN 0.890 nan 8.290 nan 0.000 0.538 369 S N -1.204 114.335 115.700 -0.268 0.000 2.603 369 S HA 0.664 5.134 4.470 0.001 0.000 0.232 369 S C 1.022 175.415 174.600 -0.346 0.000 1.016 369 S CA 0.347 58.404 58.200 -0.238 0.000 0.976 369 S CB 0.558 63.663 63.200 -0.158 0.000 0.921 369 S HN 0.469 nan 8.310 nan 0.000 0.516 370 A N 2.750 125.215 122.820 -0.592 0.000 2.366 370 A HA 0.589 4.910 4.320 0.001 0.000 0.249 370 A C -1.148 176.006 177.584 -0.716 0.000 1.084 370 A CA -1.339 50.185 52.037 -0.856 0.000 0.794 370 A CB -0.209 17.746 19.000 -1.743 0.000 1.034 370 A HN 0.245 nan 8.150 nan 0.000 0.491 371 P HA -0.119 nan 4.420 nan 0.000 0.220 371 P C 0.703 177.923 177.300 -0.134 0.000 1.144 371 P CA 1.459 64.402 63.100 -0.261 0.000 0.800 371 P CB 0.018 31.651 31.700 -0.112 0.000 0.772 372 W N -2.879 118.416 121.300 -0.009 0.000 3.067 372 W HA 0.677 5.338 4.660 0.002 0.000 0.417 372 W C 0.903 177.463 176.519 0.068 0.000 1.029 372 W CA -0.075 57.291 57.345 0.035 0.000 1.992 372 W CB -1.042 28.449 29.460 0.052 0.000 1.122 372 W HN -0.141 nan 8.180 nan 0.000 0.681 373 A N 1.658 124.495 122.820 0.027 0.000 1.948 373 A HA -0.323 3.998 4.320 0.001 0.000 0.220 373 A C 2.136 179.886 177.584 0.276 0.000 1.177 373 A CA 2.358 54.447 52.037 0.087 0.000 0.636 373 A CB -0.669 18.267 19.000 -0.107 0.000 0.815 373 A HN 0.457 nan 8.150 nan 0.000 0.449 374 Q N -1.678 118.241 119.800 0.199 0.000 2.049 374 Q HA -0.122 4.219 4.340 0.001 0.000 0.198 374 Q C 2.261 178.385 176.000 0.207 0.000 0.971 374 Q CA 1.877 57.778 55.803 0.162 0.000 0.833 374 Q CB -0.287 28.514 28.738 0.105 0.000 0.896 374 Q HN 0.618 nan 8.270 nan 0.000 0.434 375 T N 0.046 114.753 114.554 0.256 0.000 2.833 375 T HA -0.173 4.178 4.350 0.001 0.000 0.269 375 T C 1.233 176.102 174.700 0.283 0.000 1.054 375 T CA 1.288 63.529 62.100 0.236 0.000 1.135 375 T CB -0.395 68.606 68.868 0.221 0.000 0.869 375 T HN 0.597 nan 8.240 nan 0.000 0.466 376 W N 1.295 122.720 121.300 0.208 0.000 2.354 376 W HA -0.134 4.527 4.660 0.001 0.000 0.315 376 W C 2.184 178.790 176.519 0.145 0.000 1.206 376 W CA 1.449 58.921 57.345 0.210 0.000 1.290 376 W CB -0.864 28.860 29.460 0.441 0.000 1.152 376 W HN 0.259 nan 8.180 nan 0.000 0.489 377 S N 1.272 117.091 115.700 0.199 0.000 2.359 377 S HA -0.186 4.285 4.470 0.001 0.000 0.224 377 S C 2.124 176.701 174.600 -0.039 0.000 1.035 377 S CA 2.035 60.243 58.200 0.013 0.000 1.018 377 S CB -0.904 62.328 63.200 0.054 0.000 0.876 377 S HN 0.402 nan 8.310 nan 0.000 0.448 378 A N 1.308 124.140 122.820 0.021 0.000 2.070 378 A HA -0.077 4.244 4.320 0.001 0.000 0.220 378 A C 2.240 179.806 177.584 -0.029 0.000 1.159 378 A CA 1.751 53.794 52.037 0.011 0.000 0.656 378 A CB -0.658 18.374 19.000 0.053 0.000 0.800 378 A HN 0.619 nan 8.150 nan 0.000 0.453 379 S N -0.758 114.898 115.700 -0.073 0.000 2.496 379 S HA 0.212 4.683 4.470 0.001 0.000 0.224 379 S C 0.589 175.051 174.600 -0.229 0.000 0.996 379 S CA -0.231 57.896 58.200 -0.122 0.000 0.927 379 S CB -0.564 62.569 63.200 -0.112 0.000 0.774 379 S HN 0.368 nan 8.310 nan 0.000 0.524 380 L N 2.493 123.560 121.223 -0.260 0.000 2.380 380 L HA 0.399 4.740 4.340 0.001 0.000 0.273 380 L C -2.483 174.266 176.870 -0.202 0.000 1.138 380 L CA -2.371 52.301 54.840 -0.278 0.000 0.832 380 L CB 0.089 41.985 42.059 -0.272 0.000 1.124 380 L HN -0.017 nan 8.230 nan 0.000 0.454 381 P HA -0.017 nan 4.420 nan 0.000 0.264 381 P C -0.772 176.463 177.300 -0.109 0.000 1.183 381 P CA -0.039 62.953 63.100 -0.180 0.000 0.763 381 P CB 0.514 32.104 31.700 -0.183 0.000 0.807 382 V N 3.279 123.143 119.914 -0.083 0.000 2.383 382 V HA 0.410 4.530 4.120 0.001 0.000 0.275 382 V C 0.691 176.762 176.094 -0.037 0.000 1.036 382 V CA -0.990 61.283 62.300 -0.045 0.000 0.889 382 V CB 0.754 32.557 31.823 -0.032 0.000 0.985 382 V HN 0.674 nan 8.190 nan 0.000 0.459 383 A N 4.102 126.908 122.820 -0.024 0.000 2.580 383 A HA 0.437 4.758 4.320 0.001 0.000 0.244 383 A C 1.559 179.129 177.584 -0.024 0.000 1.045 383 A CA 0.732 52.756 52.037 -0.022 0.000 0.761 383 A CB -0.672 18.319 19.000 -0.014 0.000 0.962 383 A HN 2.280 nan 8.150 nan 0.000 0.512 384 G N 1.747 110.534 108.800 -0.021 0.000 2.179 384 G HA2 -0.195 3.765 3.960 0.001 0.000 0.257 384 G HA3 -0.195 3.765 3.960 0.001 0.000 0.257 384 G C -0.054 174.840 174.900 -0.009 0.000 1.010 384 G CA 0.467 45.558 45.100 -0.015 0.000 0.736 384 G HN 0.839 nan 8.290 nan 0.000 0.513 385 E N 0.496 120.690 120.200 -0.009 0.000 2.081 385 E HA 0.376 4.726 4.350 0.001 0.000 0.281 385 E C 1.471 178.079 176.600 0.013 0.000 0.986 385 E CA 0.314 56.715 56.400 0.001 0.000 0.796 385 E CB 1.283 30.982 29.700 -0.002 0.000 1.085 385 E HN 0.395 nan 8.360 nan 0.000 0.398 386 S N 2.005 117.719 115.700 0.022 0.000 2.423 386 S HA -0.155 4.316 4.470 0.001 0.000 0.231 386 S C 0.762 175.396 174.600 0.056 0.000 1.014 386 S CA 0.422 58.641 58.200 0.032 0.000 0.965 386 S CB 0.052 63.269 63.200 0.028 0.000 0.785 386 S HN 0.386 nan 8.310 nan 0.000 0.495 387 D N 3.156 123.597 120.400 0.068 0.000 2.401 387 D HA 0.218 4.859 4.640 0.001 0.000 0.254 387 D C -1.601 174.784 176.300 0.142 0.000 1.192 387 D CA -2.120 51.948 54.000 0.113 0.000 0.885 387 D CB 1.271 42.141 40.800 0.116 0.000 1.147 387 D HN 0.040 nan 8.370 nan 0.000 0.478 388 P HA -0.143 nan 4.420 nan 0.000 0.216 388 P C 1.002 178.395 177.300 0.156 0.000 1.153 388 P CA 1.111 64.364 63.100 0.256 0.000 0.858 388 P CB -0.021 31.883 31.700 0.340 0.000 0.789 389 F N -1.930 118.136 119.950 0.194 0.000 2.802 389 F HA -0.053 4.474 4.527 0.001 0.000 0.300 389 F C 1.903 177.671 175.800 -0.053 0.000 1.168 389 F CA 0.594 58.638 58.000 0.074 0.000 1.433 389 F CB -0.296 38.799 39.000 0.159 0.000 1.115 389 F HN -0.221 nan 8.300 nan 0.000 0.582 390 V N -1.654 118.314 119.914 0.090 0.000 2.721 390 V HA 0.144 4.265 4.120 0.001 0.000 0.236 390 V C 2.448 178.506 176.094 -0.059 0.000 1.116 390 V CA 1.312 63.623 62.300 0.018 0.000 1.148 390 V CB -0.990 30.860 31.823 0.044 0.000 0.886 390 V HN 0.220 nan 8.190 nan 0.000 0.490 391 G N -0.630 108.143 108.800 -0.045 0.000 2.421 391 G HA2 0.303 4.264 3.960 0.001 0.000 0.217 391 G HA3 0.303 4.264 3.960 0.001 0.000 0.217 391 G C 1.159 175.980 174.900 -0.131 0.000 1.143 391 G CA 1.183 46.243 45.100 -0.066 0.000 0.784 391 G HN 0.927 nan 8.290 nan 0.000 0.541 392 G N -0.013 108.665 108.800 -0.203 0.000 2.611 392 G HA2 -0.343 3.618 3.960 0.001 0.000 0.301 392 G HA3 -0.343 3.618 3.960 0.001 0.000 0.301 392 G C 1.351 176.186 174.900 -0.108 0.000 1.233 392 G CA 2.051 46.952 45.100 -0.331 0.000 0.993 392 G HN 1.253 nan 8.290 nan 0.000 0.553 393 T N -1.318 113.167 114.554 -0.116 0.000 3.227 393 T HA 0.366 4.717 4.350 0.001 0.000 0.257 393 T C 1.569 176.237 174.700 -0.053 0.000 1.162 393 T CA 1.655 63.724 62.100 -0.052 0.000 1.051 393 T CB 0.192 69.022 68.868 -0.063 0.000 0.953 393 T HN 0.667 nan 8.240 nan 0.000 0.535 394 L N -0.300 120.886 121.223 -0.063 0.000 2.906 394 L HA 0.650 4.990 4.340 0.001 0.000 0.255 394 L C 2.149 179.000 176.870 -0.032 0.000 1.166 394 L CA 0.012 54.824 54.840 -0.047 0.000 0.977 394 L CB -0.207 41.819 42.059 -0.056 0.000 1.313 394 L HN 0.272 nan 8.230 nan 0.000 0.549 395 A N -0.065 122.741 122.820 -0.024 0.000 1.940 395 A HA -0.158 4.163 4.320 0.001 0.000 0.219 395 A C 1.678 179.260 177.584 -0.003 0.000 1.176 395 A CA 1.779 53.813 52.037 -0.006 0.000 0.631 395 A CB -0.324 18.685 19.000 0.016 0.000 0.814 395 A HN 0.511 nan 8.150 nan 0.000 0.446 396 N N -0.395 118.302 118.700 -0.005 0.000 2.322 396 N HA 0.083 4.824 4.740 0.001 0.000 0.194 396 N C -0.027 175.476 175.510 -0.012 0.000 1.126 396 N CA 0.208 53.255 53.050 -0.005 0.000 0.845 396 N CB 0.275 38.760 38.487 -0.004 0.000 0.976 396 N HN 0.462 nan 8.380 nan 0.000 0.475 397 R N 0.012 120.502 120.500 -0.016 0.000 2.514 397 R HA 0.395 4.736 4.340 0.001 0.000 0.301 397 R C 0.546 176.834 176.300 -0.021 0.000 0.962 397 R CA -0.459 55.629 56.100 -0.020 0.000 0.882 397 R CB 1.353 31.639 30.300 -0.023 0.000 1.143 397 R HN -0.039 nan 8.270 nan 0.000 0.452 398 M N 0.214 119.800 119.600 -0.023 0.000 2.899 398 M HA -0.273 4.208 4.480 0.001 0.000 0.195 398 M C -0.417 175.871 176.300 -0.021 0.000 0.603 398 M CA 1.072 56.357 55.300 -0.026 0.000 0.712 398 M CB -1.165 31.417 32.600 -0.030 0.000 2.569 398 M HN 0.565 nan 8.290 nan 0.000 0.406 399 R N 0.895 121.385 120.500 -0.016 0.000 2.570 399 R HA 0.293 4.634 4.340 0.001 0.000 0.277 399 R C 1.401 177.695 176.300 -0.011 0.000 1.039 399 R CA 1.032 57.125 56.100 -0.012 0.000 1.065 399 R CB 0.176 30.472 30.300 -0.007 0.000 0.964 399 R HN 0.537 nan 8.270 nan 0.000 0.428 400 G N 1.508 110.303 108.800 -0.008 0.000 2.153 400 G HA2 -0.298 3.663 3.960 0.001 0.000 0.252 400 G HA3 -0.298 3.663 3.960 0.001 0.000 0.252 400 G C 0.170 175.066 174.900 -0.007 0.000 0.994 400 G CA 0.691 45.787 45.100 -0.006 0.000 0.698 400 G HN 0.772 nan 8.290 nan 0.000 0.521 401 T N -4.233 110.314 114.554 -0.011 0.000 2.930 401 T HA 0.813 5.164 4.350 0.001 0.000 0.290 401 T C 1.468 176.163 174.700 -0.008 0.000 1.052 401 T CA 0.308 62.401 62.100 -0.011 0.000 1.017 401 T CB 1.765 70.620 68.868 -0.021 0.000 1.137 401 T HN 1.397 nan 8.240 nan 0.000 0.511 402 A N 0.568 123.390 122.820 0.003 0.000 2.076 402 A HA 0.200 4.521 4.320 0.001 0.000 0.220 402 A C 2.360 179.934 177.584 -0.018 0.000 1.160 402 A CA 1.801 53.853 52.037 0.025 0.000 0.653 402 A CB -1.348 17.688 19.000 0.060 0.000 0.801 402 A HN 1.304 nan 8.150 nan 0.000 0.455 403 A N -0.612 122.186 122.820 -0.037 0.000 2.169 403 A HA 0.100 4.421 4.320 0.001 0.000 0.212 403 A C 1.035 178.579 177.584 -0.066 0.000 1.153 403 A CA 0.414 52.413 52.037 -0.064 0.000 0.756 403 A CB -0.282 18.684 19.000 -0.055 0.000 0.813 403 A HN 0.611 nan 8.150 nan 0.000 0.471 404 E N 0.030 120.200 120.200 -0.049 0.000 2.415 404 E HA 0.279 4.630 4.350 0.001 0.000 0.260 404 E C 1.140 177.708 176.600 -0.053 0.000 1.016 404 E CA 0.556 56.932 56.400 -0.040 0.000 0.924 404 E CB -0.085 29.601 29.700 -0.024 0.000 0.961 404 E HN 0.658 nan 8.360 nan 0.000 0.459 405 G N 2.758 111.532 108.800 -0.044 0.000 2.168 405 G HA2 -0.282 3.678 3.960 0.001 0.000 0.263 405 G HA3 -0.282 3.678 3.960 0.001 0.000 0.263 405 G C 0.579 175.437 174.900 -0.069 0.000 0.977 405 G CA 0.403 45.477 45.100 -0.043 0.000 0.659 405 G HN 0.478 nan 8.290 nan 0.000 0.533 406 V N -0.817 119.035 119.914 -0.103 0.000 3.029 406 V HA 0.234 4.355 4.120 0.001 0.000 0.230 406 V C 1.582 177.637 176.094 -0.065 0.000 1.254 406 V CA 0.827 63.027 62.300 -0.166 0.000 1.276 406 V CB 0.625 32.194 31.823 -0.423 0.000 1.080 406 V HN 0.184 nan 8.190 nan 0.000 0.495 407 V N 2.479 122.377 119.914 -0.028 0.000 2.479 407 V HA 0.150 4.270 4.120 0.001 0.000 0.281 407 V C -0.095 176.041 176.094 0.069 0.000 1.031 407 V CA 0.153 62.495 62.300 0.070 0.000 1.038 407 V CB 0.468 32.342 31.823 0.084 0.000 0.981 407 V HN 0.526 nan 8.190 nan 0.000 0.478 408 E N 4.018 124.284 120.200 0.111 0.000 2.129 408 E HA 0.744 5.095 4.350 0.001 0.000 0.268 408 E C -0.375 176.227 176.600 0.003 0.000 0.900 408 E CA -0.349 56.083 56.400 0.054 0.000 0.755 408 E CB 1.853 31.610 29.700 0.095 0.000 1.117 408 E HN 0.813 nan 8.360 nan 0.000 0.410 409 A N 2.987 125.759 122.820 -0.081 0.000 2.566 409 A HA 0.508 4.829 4.320 0.001 0.000 0.297 409 A C -1.317 176.149 177.584 -0.198 0.000 1.059 409 A CA -0.903 51.030 52.037 -0.174 0.000 0.691 409 A CB 1.484 20.449 19.000 -0.058 0.000 1.282 409 A HN 0.381 nan 8.150 nan 0.000 0.401 410 K N 1.357 121.602 120.400 -0.259 0.000 2.234 410 K HA 0.582 4.902 4.320 0.001 0.000 0.282 410 K C 0.603 177.106 176.600 -0.161 0.000 1.039 410 K CA 0.444 56.592 56.287 -0.233 0.000 0.928 410 K CB 0.647 32.984 32.500 -0.272 0.000 1.039 410 K HN 0.884 nan 8.250 nan 0.000 0.470 411 T N 0.075 114.550 114.554 -0.130 0.000 2.810 411 T HA 0.773 5.124 4.350 0.001 0.000 0.277 411 T C 0.256 174.909 174.700 -0.078 0.000 0.973 411 T CA -0.628 61.420 62.100 -0.087 0.000 0.949 411 T CB 1.420 70.242 68.868 -0.078 0.000 1.075 411 T HN 0.567 nan 8.240 nan 0.000 0.537 412 G N -0.113 108.654 108.800 -0.056 0.000 2.596 412 G HA2 0.503 4.464 3.960 0.001 0.000 0.300 412 G HA3 0.503 4.464 3.960 0.001 0.000 0.300 412 G C -1.137 173.739 174.900 -0.039 0.000 1.370 412 G CA -0.697 44.374 45.100 -0.048 0.000 1.170 412 G HN 0.818 nan 8.290 nan 0.000 0.594 413 T N 2.795 117.313 114.554 -0.061 0.000 3.011 413 T HA 0.681 5.031 4.350 0.001 0.000 0.303 413 T C 0.017 174.660 174.700 -0.095 0.000 0.997 413 T CA -0.361 61.707 62.100 -0.054 0.000 1.007 413 T CB 1.345 70.182 68.868 -0.052 0.000 1.017 413 T HN 0.548 nan 8.240 nan 0.000 0.443 414 M N 1.165 120.722 119.600 -0.072 0.000 2.744 414 M HA 0.515 4.996 4.480 0.001 0.000 0.283 414 M C 0.034 176.310 176.300 -0.039 0.000 1.275 414 M CA -1.125 54.114 55.300 -0.101 0.000 0.796 414 M CB 2.061 34.572 32.600 -0.148 0.000 1.739 414 M HN 0.584 nan 8.290 nan 0.000 0.454 415 S N -0.025 115.664 115.700 -0.019 0.000 2.516 415 S HA 0.439 4.909 4.470 0.001 0.000 0.282 415 S C 0.956 175.524 174.600 -0.052 0.000 1.286 415 S CA 0.216 58.422 58.200 0.010 0.000 1.066 415 S CB 0.240 63.488 63.200 0.081 0.000 0.884 415 S HN 1.164 nan 8.310 nan 0.000 0.491 416 G N 1.510 110.209 108.800 -0.168 0.000 2.162 416 G HA2 -0.214 3.747 3.960 0.001 0.000 0.260 416 G HA3 -0.214 3.747 3.960 0.001 0.000 0.260 416 G C -0.019 174.618 174.900 -0.438 0.000 0.976 416 G CA 0.130 44.960 45.100 -0.450 0.000 0.655 416 G HN 1.354 nan 8.290 nan 0.000 0.533 417 V N -0.128 119.716 119.914 -0.117 0.000 2.577 417 V HA 0.837 4.958 4.120 0.001 0.000 0.303 417 V C -0.111 176.088 176.094 0.175 0.000 1.042 417 V CA -0.046 62.284 62.300 0.050 0.000 0.872 417 V CB 1.968 33.782 31.823 -0.015 0.000 0.998 417 V HN 0.643 nan 8.190 nan 0.000 0.423 418 S N 2.533 118.364 115.700 0.218 0.000 2.533 418 S HA 0.921 5.392 4.470 0.001 0.000 0.271 418 S C -0.965 173.665 174.600 0.049 0.000 1.143 418 S CA 0.234 58.491 58.200 0.094 0.000 0.891 418 S CB 1.805 65.018 63.200 0.022 0.000 1.105 418 S HN 1.451 nan 8.310 nan 0.000 0.468 419 A N 2.459 125.289 122.820 0.017 0.000 2.572 419 A HA 0.886 5.206 4.320 0.001 0.000 0.295 419 A C -1.983 175.601 177.584 0.001 0.000 1.072 419 A CA -0.569 51.477 52.037 0.015 0.000 0.691 419 A CB 1.729 20.739 19.000 0.016 0.000 1.291 419 A HN 1.065 nan 8.150 nan 0.000 0.404 420 L N 1.054 122.290 121.223 0.021 0.000 2.528 420 L HA 0.732 5.073 4.340 0.001 0.000 0.267 420 L C -1.019 175.830 176.870 -0.034 0.000 0.961 420 L CA 0.373 55.231 54.840 0.030 0.000 0.866 420 L CB 1.993 44.129 42.059 0.128 0.000 1.248 420 L HN 0.651 nan 8.230 nan 0.000 0.404 421 S N 2.713 118.243 115.700 -0.283 0.000 2.548 421 S HA 1.017 5.488 4.470 0.001 0.000 0.276 421 S C -0.155 173.941 174.600 -0.840 0.000 1.129 421 S CA -0.087 57.723 58.200 -0.650 0.000 0.931 421 S CB 1.850 64.827 63.200 -0.371 0.000 1.068 421 S HN 1.134 nan 8.310 nan 0.000 0.480 422 G N 1.261 109.244 108.800 -1.361 0.000 2.498 422 G HA2 0.415 4.376 3.960 0.001 0.000 0.181 422 G HA3 0.415 4.376 3.960 0.001 0.000 0.181 422 G C -2.377 171.965 174.900 -0.930 0.000 1.169 422 G CA -0.536 43.955 45.100 -1.016 0.000 0.992 422 G HN 0.486 nan 8.290 nan 0.000 0.490 423 Y N -0.837 119.417 120.300 -0.077 0.000 2.509 423 Y HA 0.641 5.192 4.550 0.001 0.000 0.341 423 Y C 0.071 176.129 175.900 0.263 0.000 1.038 423 Y CA -0.922 57.252 58.100 0.123 0.000 1.089 423 Y CB 2.658 41.169 38.460 0.085 0.000 1.241 423 Y HN 0.284 nan 8.280 nan 0.000 0.468 424 V N 3.587 123.758 119.914 0.427 0.000 2.276 424 V HA 0.333 4.454 4.120 0.001 0.000 0.268 424 V C -2.591 173.662 176.094 0.266 0.000 1.032 424 V CA -2.102 60.373 62.300 0.292 0.000 0.810 424 V CB 0.533 32.497 31.823 0.235 0.000 1.060 424 V HN 0.540 nan 8.190 nan 0.000 0.446 425 P HA 0.503 nan 4.420 nan 0.000 0.269 425 P C 0.352 177.819 177.300 0.279 0.000 1.209 425 P CA 0.445 63.653 63.100 0.180 0.000 0.776 425 P CB 1.108 32.871 31.700 0.105 0.000 0.876 426 G N 1.655 110.573 108.800 0.196 0.000 2.523 426 G HA2 0.357 4.318 3.960 0.001 0.000 0.291 426 G HA3 0.357 4.318 3.960 0.001 0.000 0.291 426 G C -2.558 172.369 174.900 0.045 0.000 1.450 426 G CA -0.811 44.374 45.100 0.142 0.000 0.790 426 G HN 0.107 nan 8.290 nan 0.000 0.496 427 P HA -0.018 nan 4.420 nan 0.000 0.216 427 P C 0.891 178.181 177.300 -0.017 0.000 1.150 427 P CA 1.186 64.274 63.100 -0.020 0.000 0.837 427 P CB 0.247 31.917 31.700 -0.051 0.000 0.786 428 E N 0.172 120.355 120.200 -0.029 0.000 2.354 428 E HA 0.378 4.729 4.350 0.001 0.000 0.252 428 E C 0.120 176.735 176.600 0.025 0.000 1.330 428 E CA -0.389 55.999 56.400 -0.020 0.000 1.658 428 E CB -0.821 28.841 29.700 -0.064 0.000 1.460 428 E HN 0.087 nan 8.360 nan 0.000 0.435 429 G N 2.136 110.960 108.800 0.039 0.000 3.295 429 G HA2 -0.280 3.681 3.960 0.001 0.000 0.686 429 G HA3 -0.280 3.681 3.960 0.001 0.000 0.686 429 G C -0.466 174.494 174.900 0.100 0.000 0.958 429 G CA -0.179 44.959 45.100 0.063 0.000 0.787 429 G HN 0.536 nan 8.290 nan 0.000 0.523 430 E N 1.232 121.492 120.200 0.101 0.000 2.417 430 E HA 0.308 4.659 4.350 0.001 0.000 0.261 430 E C 0.201 176.917 176.600 0.192 0.000 1.000 430 E CA -0.614 55.871 56.400 0.143 0.000 0.919 430 E CB 0.302 30.060 29.700 0.096 0.000 0.955 430 E HN 0.377 nan 8.360 nan 0.000 0.455 431 L N 3.684 125.052 121.223 0.242 0.000 2.312 431 L HA 0.475 4.816 4.340 0.001 0.000 0.281 431 L C -0.031 177.035 176.870 0.327 0.000 1.070 431 L CA -0.196 54.797 54.840 0.255 0.000 0.805 431 L CB 1.257 43.459 42.059 0.239 0.000 1.174 431 L HN 0.675 nan 8.230 nan 0.000 0.434 432 A N 3.851 126.824 122.820 0.255 0.000 2.330 432 A HA 0.832 5.153 4.320 0.001 0.000 0.327 432 A C -0.923 176.755 177.584 0.157 0.000 1.155 432 A CA -0.396 51.722 52.037 0.135 0.000 0.803 432 A CB 0.635 19.679 19.000 0.075 0.000 1.208 432 A HN 0.568 nan 8.150 nan 0.000 0.477 433 F N 0.347 120.258 119.950 -0.066 0.000 2.613 433 F HA 0.853 5.381 4.527 0.001 0.000 0.314 433 F C -0.438 175.322 175.800 -0.066 0.000 1.075 433 F CA -0.851 57.122 58.000 -0.046 0.000 0.945 433 F CB 1.676 40.652 39.000 -0.040 0.000 1.310 433 F HN 0.478 nan 8.300 nan 0.000 0.467 434 S N 2.323 118.073 115.700 0.082 0.000 2.571 434 S HA 0.800 5.271 4.470 0.001 0.000 0.284 434 S C -1.444 173.246 174.600 0.150 0.000 1.128 434 S CA -0.560 57.644 58.200 0.007 0.000 0.970 434 S CB 1.004 64.201 63.200 -0.006 0.000 1.039 434 S HN 0.667 nan 8.310 nan 0.000 0.485 435 I N 4.507 125.157 120.570 0.133 0.000 2.476 435 I HA 0.416 4.587 4.170 0.001 0.000 0.281 435 I C -1.140 175.020 176.117 0.072 0.000 1.040 435 I CA -0.726 60.645 61.300 0.118 0.000 1.094 435 I CB 1.950 40.029 38.000 0.133 0.000 1.219 435 I HN 0.302 nan 8.210 nan 0.000 0.450 436 V N 5.591 125.546 119.914 0.069 0.000 2.444 436 V HA 0.449 4.570 4.120 0.001 0.000 0.294 436 V C -0.365 175.772 176.094 0.071 0.000 1.022 436 V CA -0.710 61.628 62.300 0.063 0.000 0.850 436 V CB 1.631 33.493 31.823 0.065 0.000 0.992 436 V HN 0.628 nan 8.190 nan 0.000 0.426 437 N N 4.473 123.223 118.700 0.083 0.000 2.392 437 N HA 0.494 5.235 4.740 0.001 0.000 0.283 437 N C -0.971 174.670 175.510 0.219 0.000 1.003 437 N CA -0.394 52.733 53.050 0.128 0.000 0.892 437 N CB 2.177 40.693 38.487 0.047 0.000 1.193 437 N HN 0.693 nan 8.380 nan 0.000 0.487 438 N N -0.470 118.337 118.700 0.179 0.000 2.265 438 N HA 0.399 5.140 4.740 0.001 0.000 0.300 438 N C 0.451 175.986 175.510 0.042 0.000 1.148 438 N CA -0.584 52.513 53.050 0.080 0.000 0.772 438 N CB 2.416 40.923 38.487 0.034 0.000 1.434 438 N HN 0.639 nan 8.380 nan 0.000 0.481 439 G N 0.943 109.673 108.800 -0.117 0.000 2.155 439 G HA2 -0.255 3.705 3.960 0.001 0.000 0.257 439 G HA3 -0.255 3.705 3.960 0.001 0.000 0.257 439 G C 0.014 174.875 174.900 -0.066 0.000 0.983 439 G CA 0.427 45.474 45.100 -0.089 0.000 0.676 439 G HN 0.863 nan 8.290 nan 0.000 0.528 440 H N -0.430 118.647 119.070 0.012 0.000 2.690 440 H HA 0.597 5.154 4.556 0.001 0.000 0.365 440 H C 1.016 176.350 175.328 0.010 0.000 1.142 440 H CA 0.297 56.350 56.048 0.009 0.000 1.417 440 H CB 1.032 30.797 29.762 0.006 0.000 1.446 440 H HN 0.014 nan 8.280 nan 0.000 0.599 441 S N 1.309 117.074 115.700 0.107 0.000 2.486 441 S HA 0.155 4.626 4.470 0.001 0.000 0.220 441 S C 1.299 175.937 174.600 0.064 0.000 1.011 441 S CA 0.217 58.445 58.200 0.046 0.000 0.921 441 S CB 0.351 63.573 63.200 0.037 0.000 0.785 441 S HN 0.890 nan 8.310 nan 0.000 0.517 442 G N 1.586 110.455 108.800 0.116 0.000 3.039 442 G HA2 0.569 4.530 3.960 0.001 0.000 0.159 442 G HA3 0.569 4.530 3.960 0.001 0.000 0.159 442 G C -2.872 172.103 174.900 0.126 0.000 1.284 442 G CA -1.186 43.968 45.100 0.089 0.000 0.996 442 G HN 0.118 nan 8.290 nan 0.000 0.592 443 P HA 0.404 nan 4.420 nan 0.000 0.269 443 P C 0.047 177.372 177.300 0.041 0.000 1.209 443 P CA -0.101 63.031 63.100 0.052 0.000 0.776 443 P CB 0.638 32.346 31.700 0.013 0.000 0.876 444 A N 4.558 127.398 122.820 0.033 0.000 2.603 444 A HA 0.084 4.405 4.320 0.001 0.000 0.235 444 A C -1.662 175.819 177.584 -0.172 0.000 1.035 444 A CA -0.406 51.583 52.037 -0.081 0.000 0.755 444 A CB -1.219 17.768 19.000 -0.022 0.000 0.954 444 A HN 0.412 nan 8.150 nan 0.000 0.511 445 P HA 0.166 nan 4.420 nan 0.000 0.226 445 P C 0.586 177.806 177.300 -0.133 0.000 1.783 445 P CA 0.007 62.980 63.100 -0.212 0.000 0.980 445 P CB -0.095 31.443 31.700 -0.271 0.000 1.967 446 L N 0.118 121.284 121.223 -0.095 0.000 2.109 446 L HA -0.117 4.224 4.340 0.001 0.000 0.207 446 L C 2.381 179.215 176.870 -0.060 0.000 1.086 446 L CA 1.468 56.268 54.840 -0.067 0.000 0.760 446 L CB -0.944 41.084 42.059 -0.051 0.000 0.910 446 L HN 0.146 nan 8.230 nan 0.000 0.437 447 A N -0.127 122.657 122.820 -0.059 0.000 1.969 447 A HA -0.101 4.220 4.320 0.001 0.000 0.218 447 A C 2.315 179.861 177.584 -0.063 0.000 1.169 447 A CA 1.478 53.483 52.037 -0.054 0.000 0.635 447 A CB -0.628 18.344 19.000 -0.047 0.000 0.810 447 A HN 0.208 nan 8.150 nan 0.000 0.445 448 V N -0.290 119.581 119.914 -0.071 0.000 2.307 448 V HA -0.300 3.821 4.120 0.001 0.000 0.245 448 V C 2.573 178.617 176.094 -0.084 0.000 1.045 448 V CA 2.155 64.409 62.300 -0.077 0.000 1.024 448 V CB -1.036 30.740 31.823 -0.078 0.000 0.651 448 V HN 0.626 nan 8.190 nan 0.000 0.449 449 Q N -0.109 119.648 119.800 -0.072 0.000 2.084 449 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 449 Q C 2.099 178.052 176.000 -0.079 0.000 0.978 449 Q CA 1.920 57.689 55.803 -0.057 0.000 0.844 449 Q CB -0.279 28.446 28.738 -0.021 0.000 0.898 449 Q HN 0.612 nan 8.270 nan 0.000 0.426 450 D N 0.450 120.808 120.400 -0.069 0.000 2.092 450 D HA -0.163 4.477 4.640 0.001 0.000 0.193 450 D C 1.804 178.045 176.300 -0.099 0.000 0.994 450 D CA 1.564 55.520 54.000 -0.073 0.000 0.828 450 D CB -0.374 40.394 40.800 -0.055 0.000 0.963 450 D HN 0.285 nan 8.370 nan 0.000 0.450 451 A N 0.455 123.219 122.820 -0.093 0.000 1.933 451 A HA -0.143 4.177 4.320 0.001 0.000 0.218 451 A C 2.389 179.890 177.584 -0.138 0.000 1.175 451 A CA 0.960 52.938 52.037 -0.098 0.000 0.628 451 A CB -0.699 18.252 19.000 -0.082 0.000 0.814 451 A HN 0.220 nan 8.150 nan 0.000 0.444 452 I N -0.390 120.075 120.570 -0.175 0.000 2.163 452 I HA -0.254 3.917 4.170 0.001 0.000 0.240 452 I C 2.988 178.907 176.117 -0.330 0.000 1.081 452 I CA 1.068 62.218 61.300 -0.251 0.000 1.353 452 I CB -0.415 37.425 38.000 -0.267 0.000 1.054 452 I HN 0.340 nan 8.210 nan 0.000 0.407 453 A N 0.401 122.997 122.820 -0.374 0.000 1.940 453 A HA -0.150 4.171 4.320 0.001 0.000 0.219 453 A C 2.408 179.842 177.584 -0.250 0.000 1.176 453 A CA 1.770 53.529 52.037 -0.464 0.000 0.631 453 A CB -0.918 17.878 19.000 -0.340 0.000 0.814 453 A HN 0.268 nan 8.150 nan 0.000 0.446 454 V N -0.253 119.565 119.914 -0.160 0.000 2.453 454 V HA -0.177 3.944 4.120 0.001 0.000 0.247 454 V C 2.625 178.678 176.094 -0.069 0.000 1.048 454 V CA 2.135 64.382 62.300 -0.090 0.000 1.049 454 V CB -0.765 31.018 31.823 -0.066 0.000 0.672 454 V HN 0.602 nan 8.190 nan 0.000 0.457 455 R N 0.694 121.134 120.500 -0.100 0.000 2.073 455 R HA -0.082 4.259 4.340 0.001 0.000 0.234 455 R C 2.042 178.320 176.300 -0.038 0.000 1.134 455 R CA 1.762 57.819 56.100 -0.071 0.000 0.952 455 R CB -0.852 29.380 30.300 -0.113 0.000 0.850 455 R HN 0.477 nan 8.270 nan 0.000 0.433 456 L N -0.218 120.943 121.223 -0.105 0.000 2.083 456 L HA -0.076 4.265 4.340 0.001 0.000 0.209 456 L C 2.458 179.378 176.870 0.085 0.000 1.083 456 L CA 1.288 56.100 54.840 -0.045 0.000 0.752 456 L CB -0.701 41.254 42.059 -0.175 0.000 0.899 456 L HN 0.301 nan 8.230 nan 0.000 0.433 457 A N 0.203 123.056 122.820 0.054 0.000 1.933 457 A HA -0.218 4.103 4.320 0.001 0.000 0.218 457 A C 2.158 179.872 177.584 0.217 0.000 1.175 457 A CA 1.671 53.810 52.037 0.170 0.000 0.628 457 A CB -0.370 18.669 19.000 0.064 0.000 0.814 457 A HN 0.472 nan 8.150 nan 0.000 0.444 458 E N -1.715 118.558 120.200 0.121 0.000 2.047 458 E HA -0.202 4.149 4.350 0.001 0.000 0.191 458 E C 1.883 178.533 176.600 0.083 0.000 0.987 458 E CA 1.398 57.850 56.400 0.088 0.000 0.799 458 E CB -0.349 29.388 29.700 0.061 0.000 0.752 458 E HN 0.762 nan 8.360 nan 0.000 0.449 459 Y N 1.257 121.555 120.300 -0.004 0.000 2.165 459 Y HA -0.228 4.323 4.550 0.001 0.000 0.286 459 Y C 2.150 178.040 175.900 -0.018 0.000 1.155 459 Y CA 1.480 59.575 58.100 -0.009 0.000 1.164 459 Y CB -0.197 38.259 38.460 -0.005 0.000 0.978 459 Y HN -0.001 nan 8.280 nan 0.000 0.513 460 A N -0.431 122.462 122.820 0.123 0.000 2.239 460 A HA 0.231 4.552 4.320 0.001 0.000 0.209 460 A C 1.798 179.222 177.584 -0.268 0.000 1.171 460 A CA 1.029 53.063 52.037 -0.005 0.000 0.768 460 A CB -1.480 17.618 19.000 0.162 0.000 0.790 460 A HN 0.994 nan 8.150 nan 0.000 0.478 461 G N -1.104 107.564 108.800 -0.219 0.000 2.132 461 G HA2 -0.195 3.766 3.960 0.001 0.000 0.228 461 G HA3 -0.195 3.766 3.960 0.001 0.000 0.228 461 G C -0.063 174.658 174.900 -0.298 0.000 1.000 461 G CA 0.184 45.134 45.100 -0.250 0.000 0.693 461 G HN 0.731 nan 8.290 nan 0.000 0.515 462 H N 0.012 119.082 119.070 0.001 0.000 2.482 462 H HA 0.593 5.150 4.556 0.001 0.000 0.344 462 H C 0.440 175.768 175.328 -0.000 0.000 1.151 462 H CA 0.122 56.172 56.048 0.003 0.000 1.300 462 H CB 1.134 30.903 29.762 0.011 0.000 1.494 462 H HN 0.460 nan 8.280 nan 0.000 0.542 463 Q N -0.041 119.834 119.800 0.125 0.000 2.445 463 Q HA 0.573 4.914 4.340 0.001 0.000 0.281 463 Q C -0.605 175.428 176.000 0.056 0.000 1.101 463 Q CA -1.252 54.591 55.803 0.067 0.000 0.833 463 Q CB 2.561 31.321 28.738 0.036 0.000 1.416 463 Q HN 0.769 nan 8.270 nan 0.000 0.451 464 A N 2.409 125.248 122.820 0.031 0.000 2.546 464 A HA 0.280 4.600 4.320 0.001 0.000 0.243 464 A C -1.945 175.650 177.584 0.018 0.000 1.063 464 A CA -0.727 51.321 52.037 0.018 0.000 0.757 464 A CB -0.666 18.339 19.000 0.009 0.000 0.991 464 A HN 0.399 nan 8.150 nan 0.000 0.503 465 P HA 0.603 nan 4.420 nan 0.000 0.272 465 P C -0.118 177.188 177.300 0.009 0.000 1.230 465 P CA 0.665 63.772 63.100 0.013 0.000 0.788 465 P CB 0.933 32.638 31.700 0.008 0.000 0.949 466 E N 0.000 120.206 120.200 0.009 0.000 2.725 466 E HA 0.000 4.351 4.350 0.001 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440