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 2y42_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMKVAVLPGD GIGPEVTEAA LKVLRALDEA EGLGLAYEVF PFGGAAIDAF DATA SEQUENCE GEPFPEPTRK GVEEAEAVLL GSVGGPKWDG LPRKIRPETG LLSLRKSQDL DATA SEQUENCE FANLRPAKVF PGLERLSPLK EEIARGVDVL IVRELTGGIY FGEPRGMSEA DATA SEQUENCE EAWNTERYSK PEVERVARVA FEAARKRRKH VVSVDKANVL EVGEFWRKTV DATA SEQUENCE EEVGRGYPDV ALEHQYVDAM AMHLVRSPAR FDVVVTGNIF GDILSDLASV DATA SEQUENCE LPGSLGLLPS ASLGRGTPVF EPVHGSAPDI AGKGIANPTA AILSAAMMLE DATA SEQUENCE HAFGLVELAR KVEDAVAKAL LETPPPDLGG SAGTEAFTAT VLRHLAA 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.564 174.600 -0.061 0.000 1.055 0 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 0 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 1 M N 2.559 122.090 119.600 -0.115 0.000 1.988 1 M HA 0.425 4.869 4.480 -0.060 0.000 0.243 1 M C -1.799 174.460 176.300 -0.069 0.000 0.897 1 M CA -0.179 54.927 55.300 -0.324 0.000 0.935 1 M CB 1.232 33.492 32.600 -0.565 0.000 1.956 1 M HN 0.255 nan 8.290 nan 0.000 0.389 2 K N 3.021 123.508 120.400 0.146 0.000 2.227 2 K HA 0.655 4.939 4.320 -0.060 0.000 0.280 2 K C -1.542 175.227 176.600 0.282 0.000 1.041 2 K CA -0.394 56.007 56.287 0.190 0.000 0.905 2 K CB 1.278 33.880 32.500 0.169 0.000 1.068 2 K HN 0.504 nan 8.250 nan 0.000 0.470 3 V N 2.805 122.875 119.914 0.260 0.000 2.623 3 V HA 0.408 4.493 4.120 -0.060 0.000 0.304 3 V C -0.643 175.629 176.094 0.297 0.000 1.054 3 V CA -1.121 61.346 62.300 0.279 0.000 0.882 3 V CB 1.641 33.601 31.823 0.229 0.000 1.002 3 V HN 0.890 nan 8.190 nan 0.000 0.424 4 A N 4.549 127.536 122.820 0.279 0.000 2.289 4 A HA 0.797 5.081 4.320 -0.060 0.000 0.298 4 A C -0.491 177.253 177.584 0.265 0.000 1.208 4 A CA -0.422 51.840 52.037 0.375 0.000 0.845 4 A CB 0.910 20.058 19.000 0.247 0.000 1.125 4 A HN 0.793 nan 8.150 nan 0.000 0.517 5 V N 3.704 123.784 119.914 0.278 0.000 2.357 5 V HA 0.367 4.452 4.120 -0.060 0.000 0.284 5 V C -0.819 175.369 176.094 0.157 0.000 1.018 5 V CA -0.321 62.057 62.300 0.130 0.000 0.841 5 V CB 0.907 32.741 31.823 0.017 0.000 0.991 5 V HN 0.664 nan 8.190 nan 0.000 0.437 6 L N 8.685 129.957 121.223 0.083 0.000 2.408 6 L HA 0.450 4.754 4.340 -0.060 0.000 0.257 6 L C -1.437 175.499 176.870 0.110 0.000 1.053 6 L CA -1.328 53.561 54.840 0.081 0.000 0.922 6 L CB 1.535 43.487 42.059 -0.178 0.000 1.261 6 L HN 0.363 nan 8.230 nan 0.000 0.458 7 P HA 0.034 nan 4.420 nan 0.000 0.220 7 P C 1.039 178.434 177.300 0.158 0.000 1.152 7 P CA 1.237 64.411 63.100 0.123 0.000 0.812 7 P CB 0.688 32.450 31.700 0.103 0.000 0.792 8 G N 0.847 109.767 108.800 0.200 0.000 2.565 8 G HA2 -0.212 3.712 3.960 -0.060 0.000 0.295 8 G HA3 -0.212 3.712 3.960 -0.060 0.000 0.295 8 G C -0.636 174.318 174.900 0.090 0.000 1.165 8 G CA 0.548 45.741 45.100 0.155 0.000 0.977 8 G HN 0.331 nan 8.290 nan 0.000 0.546 9 D N 1.226 121.669 120.400 0.073 0.000 2.419 9 D HA 0.554 5.158 4.640 -0.060 0.000 0.234 9 D C 1.016 177.412 176.300 0.159 0.000 1.014 9 D CA 1.015 55.087 54.000 0.120 0.000 0.919 9 D CB 1.063 41.903 40.800 0.068 0.000 1.366 9 D HN 1.728 nan 8.370 nan 0.000 0.490 10 G N 1.079 109.995 108.800 0.193 0.000 2.557 10 G HA2 -0.330 3.594 3.960 -0.060 0.000 0.292 10 G HA3 -0.330 3.594 3.960 -0.060 0.000 0.292 10 G C 1.042 176.014 174.900 0.120 0.000 1.162 10 G CA 0.567 45.759 45.100 0.154 0.000 0.964 10 G HN 0.665 nan 8.290 nan 0.000 0.541 11 I N 0.169 120.809 120.570 0.116 0.000 3.059 11 I HA 0.392 4.526 4.170 -0.060 0.000 0.270 11 I C 2.531 178.725 176.117 0.129 0.000 1.238 11 I CA 1.437 62.799 61.300 0.104 0.000 1.478 11 I CB -0.798 37.246 38.000 0.074 0.000 1.097 11 I HN 0.767 nan 8.210 nan 0.000 0.455 12 G N 2.919 111.806 108.800 0.146 0.000 2.681 12 G HA2 -0.252 3.672 3.960 -0.060 0.000 0.220 12 G HA3 -0.252 3.672 3.960 -0.060 0.000 0.220 12 G C -0.379 174.586 174.900 0.110 0.000 1.210 12 G CA 1.651 46.830 45.100 0.132 0.000 0.783 12 G HN 0.373 nan 8.290 nan 0.000 0.609 13 P HA -0.044 nan 4.420 nan 0.000 0.216 13 P C 1.682 179.027 177.300 0.076 0.000 1.150 13 P CA 1.571 64.724 63.100 0.088 0.000 0.843 13 P CB -0.050 31.704 31.700 0.091 0.000 0.787 14 E N -0.449 119.798 120.200 0.078 0.000 2.015 14 E HA -0.119 4.195 4.350 -0.060 0.000 0.191 14 E C 2.030 178.673 176.600 0.072 0.000 0.991 14 E CA 1.667 58.107 56.400 0.068 0.000 0.802 14 E CB -0.842 28.895 29.700 0.061 0.000 0.759 14 E HN 0.156 nan 8.360 nan 0.000 0.447 15 V N -0.216 119.752 119.914 0.090 0.000 2.490 15 V HA -0.181 3.903 4.120 -0.060 0.000 0.250 15 V C 2.100 178.246 176.094 0.086 0.000 1.061 15 V CA 2.000 64.362 62.300 0.103 0.000 1.064 15 V CB -1.015 30.902 31.823 0.157 0.000 0.670 15 V HN 0.126 nan 8.190 nan 0.000 0.461 16 T N 0.535 115.132 114.554 0.072 0.000 2.777 16 T HA -0.132 4.182 4.350 -0.060 0.000 0.266 16 T C 1.835 176.543 174.700 0.013 0.000 1.040 16 T CA 1.871 63.995 62.100 0.040 0.000 1.141 16 T CB -0.301 68.590 68.868 0.038 0.000 0.868 16 T HN 0.638 nan 8.240 nan 0.000 0.444 17 E N 1.844 122.060 120.200 0.027 0.000 2.110 17 E HA -0.044 4.270 4.350 -0.060 0.000 0.193 17 E C 2.189 178.799 176.600 0.018 0.000 0.988 17 E CA 1.420 57.831 56.400 0.018 0.000 0.804 17 E CB -0.639 29.082 29.700 0.036 0.000 0.745 17 E HN 0.423 nan 8.360 nan 0.000 0.458 18 A N 1.011 123.855 122.820 0.039 0.000 1.883 18 A HA -0.103 4.181 4.320 -0.060 0.000 0.217 18 A C 2.514 180.117 177.584 0.032 0.000 1.186 18 A CA 2.503 54.569 52.037 0.050 0.000 0.624 18 A CB -1.244 17.808 19.000 0.088 0.000 0.822 18 A HN 0.407 nan 8.150 nan 0.000 0.444 19 A N -0.335 122.501 122.820 0.027 0.000 1.948 19 A HA -0.107 4.177 4.320 -0.060 0.000 0.220 19 A C 2.170 179.731 177.584 -0.037 0.000 1.177 19 A CA 1.669 53.709 52.037 0.004 0.000 0.636 19 A CB -0.658 18.345 19.000 0.006 0.000 0.815 19 A HN 0.506 nan 8.150 nan 0.000 0.449 20 L N -1.148 120.035 121.223 -0.068 0.000 2.093 20 L HA -0.184 4.120 4.340 -0.060 0.000 0.208 20 L C 2.540 179.384 176.870 -0.044 0.000 1.085 20 L CA 1.644 56.413 54.840 -0.117 0.000 0.755 20 L CB -0.441 41.509 42.059 -0.180 0.000 0.904 20 L HN 0.320 nan 8.230 nan 0.000 0.435 21 K N -0.178 120.213 120.400 -0.014 0.000 2.032 21 K HA -0.161 4.123 4.320 -0.060 0.000 0.209 21 K C 2.034 178.630 176.600 -0.007 0.000 1.048 21 K CA 1.441 57.729 56.287 0.001 0.000 0.927 21 K CB -0.303 32.200 32.500 0.006 0.000 0.712 21 K HN 0.066 nan 8.250 nan 0.000 0.441 22 V N 1.582 121.488 119.914 -0.014 0.000 2.295 22 V HA -0.244 3.840 4.120 -0.060 0.000 0.246 22 V C 2.193 178.274 176.094 -0.022 0.000 1.049 22 V CA 1.635 63.924 62.300 -0.018 0.000 1.024 22 V CB -0.430 31.384 31.823 -0.015 0.000 0.648 22 V HN 0.282 nan 8.190 nan 0.000 0.447 23 L N -0.704 120.501 121.223 -0.031 0.000 2.056 23 L HA -0.139 4.165 4.340 -0.060 0.000 0.207 23 L C 2.843 179.707 176.870 -0.010 0.000 1.078 23 L CA 1.540 56.359 54.840 -0.036 0.000 0.749 23 L CB -0.514 41.506 42.059 -0.065 0.000 0.901 23 L HN 0.243 nan 8.230 nan 0.000 0.433 24 R N -0.165 120.342 120.500 0.011 0.000 2.081 24 R HA -0.128 4.176 4.340 -0.060 0.000 0.235 24 R C 2.421 178.727 176.300 0.012 0.000 1.131 24 R CA 1.308 57.429 56.100 0.036 0.000 0.960 24 R CB -0.526 29.810 30.300 0.061 0.000 0.856 24 R HN 0.334 nan 8.270 nan 0.000 0.436 25 A N 1.342 124.162 122.820 0.000 0.000 1.940 25 A HA -0.154 4.130 4.320 -0.060 0.000 0.219 25 A C 2.193 179.770 177.584 -0.012 0.000 1.176 25 A CA 1.231 53.263 52.037 -0.008 0.000 0.631 25 A CB -0.510 18.481 19.000 -0.014 0.000 0.814 25 A HN 0.176 nan 8.150 nan 0.000 0.446 26 L N -0.904 120.309 121.223 -0.016 0.000 2.005 26 L HA -0.183 4.121 4.340 -0.060 0.000 0.207 26 L C 2.475 179.332 176.870 -0.023 0.000 1.072 26 L CA 1.748 56.576 54.840 -0.021 0.000 0.744 26 L CB -0.553 41.488 42.059 -0.029 0.000 0.895 26 L HN 0.432 nan 8.230 nan 0.000 0.433 27 D N -0.123 120.264 120.400 -0.022 0.000 2.133 27 D HA -0.276 4.328 4.640 -0.060 0.000 0.192 27 D C 2.086 178.376 176.300 -0.017 0.000 1.001 27 D CA 1.535 55.521 54.000 -0.023 0.000 0.844 27 D CB 0.067 40.861 40.800 -0.010 0.000 0.944 27 D HN 0.225 nan 8.370 nan 0.000 0.447 28 E N -0.538 119.655 120.200 -0.010 0.000 2.017 28 E HA -0.187 4.128 4.350 -0.060 0.000 0.193 28 E C 1.968 178.561 176.600 -0.012 0.000 0.997 28 E CA 1.197 57.591 56.400 -0.010 0.000 0.804 28 E CB -0.270 29.427 29.700 -0.006 0.000 0.757 28 E HN 0.328 nan 8.360 nan 0.000 0.448 29 A N 0.473 123.285 122.820 -0.013 0.000 2.119 29 A HA -0.105 4.180 4.320 -0.060 0.000 0.217 29 A C 1.642 179.218 177.584 -0.014 0.000 1.153 29 A CA 1.076 53.105 52.037 -0.013 0.000 0.692 29 A CB 0.009 19.002 19.000 -0.012 0.000 0.799 29 A HN 0.191 nan 8.150 nan 0.000 0.458 30 E N -1.932 118.258 120.200 -0.017 0.000 2.508 30 E HA 0.210 4.524 4.350 -0.060 0.000 0.217 30 E C 0.743 177.330 176.600 -0.021 0.000 0.896 30 E CA 0.603 56.992 56.400 -0.019 0.000 1.118 30 E CB 0.352 30.039 29.700 -0.022 0.000 1.133 30 E HN 0.720 nan 8.360 nan 0.000 0.526 31 G N 2.710 111.496 108.800 -0.023 0.000 2.368 31 G HA2 -0.245 3.680 3.960 -0.060 0.000 0.290 31 G HA3 -0.245 3.680 3.960 -0.060 0.000 0.290 31 G C 0.655 175.534 174.900 -0.035 0.000 1.098 31 G CA 0.426 45.511 45.100 -0.025 0.000 1.073 31 G HN 0.228 nan 8.290 nan 0.000 0.511 32 L N 0.116 121.310 121.223 -0.048 0.000 2.446 32 L HA 0.334 4.638 4.340 -0.060 0.000 0.219 32 L C 2.222 179.045 176.870 -0.079 0.000 1.116 32 L CA 0.574 55.369 54.840 -0.075 0.000 0.844 32 L CB -0.129 41.865 42.059 -0.107 0.000 0.970 32 L HN 1.270 nan 8.230 nan 0.000 0.457 33 G N 1.809 110.576 108.800 -0.055 0.000 2.246 33 G HA2 -0.296 3.628 3.960 -0.060 0.000 0.273 33 G HA3 -0.296 3.628 3.960 -0.060 0.000 0.273 33 G C -0.038 174.829 174.900 -0.054 0.000 1.055 33 G CA 0.036 45.108 45.100 -0.046 0.000 0.851 33 G HN 0.215 nan 8.290 nan 0.000 0.500 34 L N 0.574 121.766 121.223 -0.051 0.000 2.584 34 L HA 0.534 4.838 4.340 -0.060 0.000 0.272 34 L C 0.639 177.513 176.870 0.008 0.000 1.195 34 L CA 0.765 55.590 54.840 -0.025 0.000 0.920 34 L CB 0.281 42.355 42.059 0.025 0.000 1.173 34 L HN 0.964 nan 8.230 nan 0.000 0.489 35 A N 6.270 129.104 122.820 0.024 0.000 2.304 35 A HA 0.657 4.941 4.320 -0.060 0.000 0.314 35 A C -1.341 176.312 177.584 0.115 0.000 1.187 35 A CA -0.465 51.580 52.037 0.012 0.000 0.810 35 A CB 0.500 19.507 19.000 0.011 0.000 1.183 35 A HN 0.819 nan 8.150 nan 0.000 0.487 36 Y N -0.378 119.927 120.300 0.009 0.000 2.581 36 Y HA 0.856 5.370 4.550 -0.059 0.000 0.345 36 Y C -0.655 175.234 175.900 -0.018 0.000 1.036 36 Y CA -1.105 57.010 58.100 0.025 0.000 1.042 36 Y CB 1.250 39.724 38.460 0.023 0.000 1.289 36 Y HN 0.602 nan 8.280 nan 0.000 0.471 37 E N 1.088 121.393 120.200 0.174 0.000 2.393 37 E HA 0.661 4.975 4.350 -0.060 0.000 0.273 37 E C -1.749 174.701 176.600 -0.250 0.000 0.918 37 E CA -1.255 55.062 56.400 -0.138 0.000 0.773 37 E CB 3.075 32.577 29.700 -0.331 0.000 1.275 37 E HN 0.627 nan 8.360 nan 0.000 0.451 38 V N 2.814 122.503 119.914 -0.375 0.000 2.427 38 V HA 0.440 4.524 4.120 -0.060 0.000 0.286 38 V C -0.841 174.942 176.094 -0.518 0.000 1.034 38 V CA -0.395 61.750 62.300 -0.257 0.000 0.893 38 V CB 0.533 32.333 31.823 -0.039 0.000 0.982 38 V HN 0.458 nan 8.190 nan 0.000 0.452 39 F N 5.126 125.141 119.950 0.108 0.000 2.529 39 F HA 0.555 5.046 4.527 -0.060 0.000 0.320 39 F C -2.141 173.747 175.800 0.146 0.000 1.118 39 F CA -2.729 55.334 58.000 0.104 0.000 0.915 39 F CB 2.008 41.054 39.000 0.077 0.000 1.161 39 F HN 0.308 nan 8.300 nan 0.000 0.445 40 P HA 0.119 nan 4.420 nan 0.000 0.265 40 P C -0.962 176.567 177.300 0.381 0.000 1.193 40 P CA 0.336 63.621 63.100 0.307 0.000 0.765 40 P CB 0.805 32.703 31.700 0.329 0.000 0.823 41 F N 1.547 121.563 119.950 0.110 0.000 2.665 41 F HA 0.489 4.980 4.527 -0.061 0.000 0.308 41 F C 0.504 176.286 175.800 -0.029 0.000 1.112 41 F CA 0.870 58.912 58.000 0.071 0.000 0.972 41 F CB 1.676 40.719 39.000 0.073 0.000 1.295 41 F HN 0.759 nan 8.300 nan 0.000 0.440 42 G N 2.809 111.055 108.800 -0.924 0.000 2.564 42 G HA2 -0.184 3.740 3.960 -0.060 0.000 0.273 42 G HA3 -0.184 3.740 3.960 -0.060 0.000 0.273 42 G C 1.019 175.545 174.900 -0.623 0.000 1.242 42 G CA 0.208 44.828 45.100 -0.799 0.000 0.951 42 G HN 1.839 nan 8.290 nan 0.000 0.564 43 G N -0.179 108.058 108.800 -0.938 0.000 2.501 43 G HA2 0.250 4.174 3.960 -0.060 0.000 0.220 43 G HA3 0.250 4.174 3.960 -0.060 0.000 0.220 43 G C 1.954 176.378 174.900 -0.793 0.000 1.114 43 G CA 2.489 46.617 45.100 -1.620 0.000 0.757 43 G HN 1.883 nan 8.290 nan 0.000 0.559 44 A N 0.334 122.922 122.820 -0.387 0.000 2.119 44 A HA 0.496 4.780 4.320 -0.060 0.000 0.217 44 A C 2.526 180.129 177.584 0.031 0.000 1.153 44 A CA 1.824 53.840 52.037 -0.035 0.000 0.692 44 A CB -0.205 18.823 19.000 0.046 0.000 0.799 44 A HN 0.601 nan 8.150 nan 0.000 0.458 45 A N -0.453 122.351 122.820 -0.026 0.000 1.973 45 A HA 0.264 4.548 4.320 -0.060 0.000 0.210 45 A C 1.836 179.467 177.584 0.079 0.000 1.200 45 A CA 0.610 52.713 52.037 0.110 0.000 0.707 45 A CB -0.363 18.716 19.000 0.132 0.000 0.862 45 A HN 0.349 nan 8.150 nan 0.000 0.461 46 I N 0.699 121.226 120.570 -0.071 0.000 2.315 46 I HA -0.285 3.849 4.170 -0.060 0.000 0.251 46 I C 1.334 177.490 176.117 0.065 0.000 1.125 46 I CA 1.576 62.853 61.300 -0.038 0.000 1.392 46 I CB -0.251 37.646 38.000 -0.171 0.000 1.065 46 I HN 0.226 nan 8.210 nan 0.000 0.424 47 D N 0.143 120.604 120.400 0.102 0.000 2.277 47 D HA 0.010 4.614 4.640 -0.060 0.000 0.208 47 D C 1.871 178.210 176.300 0.065 0.000 0.962 47 D CA 1.094 55.181 54.000 0.145 0.000 0.865 47 D CB 0.152 41.086 40.800 0.222 0.000 0.939 47 D HN 0.379 nan 8.370 nan 0.000 0.510 48 A N -1.348 121.500 122.820 0.046 0.000 2.211 48 A HA 0.253 4.537 4.320 -0.060 0.000 0.208 48 A C 0.758 178.166 177.584 -0.294 0.000 1.250 48 A CA -0.113 51.872 52.037 -0.087 0.000 0.935 48 A CB 0.365 19.350 19.000 -0.024 0.000 0.982 48 A HN 0.133 nan 8.150 nan 0.000 0.490 49 F N -0.463 119.505 119.950 0.030 0.000 2.815 49 F HA 0.380 4.871 4.527 -0.060 0.000 0.323 49 F C 1.570 177.377 175.800 0.012 0.000 1.151 49 F CA 0.078 58.091 58.000 0.022 0.000 1.191 49 F CB 0.798 39.812 39.000 0.024 0.000 1.069 49 F HN 0.276 nan 8.300 nan 0.000 0.514 50 G N 0.723 109.598 108.800 0.126 0.000 2.243 50 G HA2 -0.317 3.607 3.960 -0.060 0.000 0.276 50 G HA3 -0.317 3.607 3.960 -0.060 0.000 0.276 50 G C 0.306 175.253 174.900 0.078 0.000 0.997 50 G CA 0.998 46.149 45.100 0.085 0.000 0.693 50 G HN 0.439 nan 8.290 nan 0.000 0.529 51 E N -1.172 119.084 120.200 0.094 0.000 2.416 51 E HA 0.398 4.712 4.350 -0.060 0.000 0.273 51 E C -1.926 174.685 176.600 0.018 0.000 0.935 51 E CA -1.734 54.699 56.400 0.055 0.000 0.784 51 E CB 2.465 32.200 29.700 0.058 0.000 1.301 51 E HN 0.027 nan 8.360 nan 0.000 0.454 52 P HA 0.034 nan 4.420 nan 0.000 0.218 52 P C 0.048 177.360 177.300 0.019 0.000 1.151 52 P CA 0.633 63.677 63.100 -0.094 0.000 0.850 52 P CB 0.525 32.147 31.700 -0.130 0.000 0.801 53 F N 2.851 122.773 119.950 -0.047 0.000 2.453 53 F HA 0.502 4.993 4.527 -0.059 0.000 0.358 53 F C -2.624 173.178 175.800 0.003 0.000 1.129 53 F CA -3.800 54.243 58.000 0.071 0.000 1.200 53 F CB 0.327 39.417 39.000 0.151 0.000 1.431 53 F HN -0.172 nan 8.300 nan 0.000 0.503 54 P HA 0.075 nan 4.420 nan 0.000 0.286 54 P C 0.734 177.742 177.300 -0.486 0.000 1.293 54 P CA -0.000 62.896 63.100 -0.339 0.000 0.770 54 P CB 1.057 32.490 31.700 -0.446 0.000 1.206 55 E N 0.089 120.035 120.200 -0.424 0.000 2.031 55 E HA -0.129 4.185 4.350 -0.060 0.000 0.193 55 E C -0.814 175.591 176.600 -0.325 0.000 0.994 55 E CA 2.027 58.228 56.400 -0.332 0.000 0.800 55 E CB -1.793 27.780 29.700 -0.212 0.000 0.752 55 E HN 0.287 nan 8.360 nan 0.000 0.447 56 P HA -0.014 nan 4.420 nan 0.000 0.219 56 P C 1.269 178.369 177.300 -0.333 0.000 1.150 56 P CA 1.406 64.378 63.100 -0.213 0.000 0.814 56 P CB -0.086 31.568 31.700 -0.077 0.000 0.787 57 T N -0.606 113.735 114.554 -0.353 0.000 2.737 57 T HA -0.079 4.235 4.350 -0.060 0.000 0.265 57 T C 1.833 176.287 174.700 -0.410 0.000 1.038 57 T CA 0.875 62.754 62.100 -0.369 0.000 1.144 57 T CB -0.534 68.331 68.868 -0.005 0.000 0.866 57 T HN 0.074 nan 8.240 nan 0.000 0.434 58 R N 0.736 120.815 120.500 -0.702 0.000 2.154 58 R HA -0.109 4.195 4.340 -0.060 0.000 0.248 58 R C 2.415 178.539 176.300 -0.293 0.000 1.155 58 R CA 1.320 57.000 56.100 -0.700 0.000 0.979 58 R CB -0.065 29.800 30.300 -0.726 0.000 0.869 58 R HN 0.307 nan 8.270 nan 0.000 0.452 59 K N -1.336 118.879 120.400 -0.309 0.000 2.350 59 K HA 0.027 4.311 4.320 -0.060 0.000 0.196 59 K C 1.866 178.325 176.600 -0.236 0.000 1.084 59 K CA 0.590 56.748 56.287 -0.216 0.000 0.967 59 K CB 0.367 32.762 32.500 -0.174 0.000 0.950 59 K HN 0.189 nan 8.250 nan 0.000 0.512 60 G N 0.772 109.313 108.800 -0.432 0.000 2.498 60 G HA2 -0.138 3.786 3.960 -0.060 0.000 0.219 60 G HA3 -0.138 3.786 3.960 -0.060 0.000 0.219 60 G C 1.323 175.980 174.900 -0.406 0.000 1.119 60 G CA 0.488 45.237 45.100 -0.585 0.000 0.766 60 G HN 0.105 nan 8.290 nan 0.000 0.552 61 V N 0.243 119.971 119.914 -0.311 0.000 2.283 61 V HA -0.080 4.005 4.120 -0.060 0.000 0.243 61 V C 2.612 178.664 176.094 -0.070 0.000 1.039 61 V CA 2.092 64.313 62.300 -0.131 0.000 1.016 61 V CB -0.206 31.608 31.823 -0.016 0.000 0.650 61 V HN 0.371 nan 8.190 nan 0.000 0.449 62 E N 0.228 120.388 120.200 -0.067 0.000 2.110 62 E HA -0.222 4.092 4.350 -0.060 0.000 0.193 62 E C 2.182 178.767 176.600 -0.025 0.000 0.988 62 E CA 1.404 57.781 56.400 -0.039 0.000 0.804 62 E CB -0.114 29.561 29.700 -0.041 0.000 0.745 62 E HN 0.618 nan 8.360 nan 0.000 0.458 63 E N -0.266 119.914 120.200 -0.033 0.000 2.204 63 E HA -0.023 4.291 4.350 -0.060 0.000 0.194 63 E C 0.393 177.016 176.600 0.038 0.000 0.989 63 E CA 0.437 56.839 56.400 0.002 0.000 0.824 63 E CB 0.052 29.755 29.700 0.005 0.000 0.756 63 E HN 0.223 nan 8.360 nan 0.000 0.477 64 A N 0.905 123.751 122.820 0.043 0.000 2.287 64 A HA 0.112 4.396 4.320 -0.060 0.000 0.273 64 A C 0.612 178.251 177.584 0.091 0.000 1.091 64 A CA -0.302 51.793 52.037 0.097 0.000 0.817 64 A CB 0.521 19.596 19.000 0.125 0.000 1.069 64 A HN 0.048 nan 8.150 nan 0.000 0.492 65 E N -0.463 119.826 120.200 0.149 0.000 2.400 65 E HA 0.350 4.664 4.350 -0.060 0.000 0.195 65 E C 0.308 176.923 176.600 0.025 0.000 1.012 65 E CA 0.742 57.204 56.400 0.104 0.000 0.875 65 E CB 0.317 30.164 29.700 0.245 0.000 0.859 65 E HN 0.728 nan 8.360 nan 0.000 0.498 66 A N 0.324 123.231 122.820 0.145 0.000 2.608 66 A HA 0.525 4.809 4.320 -0.060 0.000 0.292 66 A C -1.446 176.252 177.584 0.190 0.000 1.066 66 A CA -0.629 51.513 52.037 0.175 0.000 0.676 66 A CB 1.659 20.805 19.000 0.244 0.000 1.277 66 A HN -0.038 nan 8.150 nan 0.000 0.413 67 V N 1.383 121.396 119.914 0.164 0.000 2.409 67 V HA 0.503 4.587 4.120 -0.060 0.000 0.291 67 V C -0.828 175.362 176.094 0.161 0.000 1.020 67 V CA -0.366 61.990 62.300 0.093 0.000 0.848 67 V CB 1.287 33.075 31.823 -0.059 0.000 0.990 67 V HN 0.823 nan 8.190 nan 0.000 0.430 68 L N 6.756 128.062 121.223 0.138 0.000 2.264 68 L HA 0.624 4.928 4.340 -0.060 0.000 0.287 68 L C -0.717 176.178 176.870 0.042 0.000 1.039 68 L CA -0.004 54.909 54.840 0.122 0.000 0.829 68 L CB 1.053 43.159 42.059 0.080 0.000 1.211 68 L HN 0.627 nan 8.230 nan 0.000 0.427 69 L N 4.895 126.128 121.223 0.017 0.000 2.322 69 L HA 0.807 5.111 4.340 -0.060 0.000 0.279 69 L C 0.764 177.641 176.870 0.012 0.000 1.036 69 L CA 0.400 55.221 54.840 -0.030 0.000 0.807 69 L CB 1.628 43.628 42.059 -0.097 0.000 1.226 69 L HN 0.629 nan 8.230 nan 0.000 0.433 70 G N 1.952 110.777 108.800 0.042 0.000 3.142 70 G HA2 0.433 4.357 3.960 -0.060 0.000 0.178 70 G HA3 0.433 4.357 3.960 -0.060 0.000 0.178 70 G C -0.611 174.313 174.900 0.040 0.000 1.941 70 G CA 0.145 45.279 45.100 0.057 0.000 0.902 70 G HN 0.623 nan 8.290 nan 0.000 0.517 71 S N -2.131 113.620 115.700 0.084 0.000 2.565 71 S HA 0.562 4.996 4.470 -0.060 0.000 0.269 71 S C -1.006 173.649 174.600 0.091 0.000 1.153 71 S CA -0.228 58.016 58.200 0.074 0.000 0.835 71 S CB 1.707 64.938 63.200 0.051 0.000 1.122 71 S HN 1.147 nan 8.310 nan 0.000 0.462 72 V N -0.867 119.079 119.914 0.052 0.000 3.040 72 V HA 1.104 5.188 4.120 -0.060 0.000 0.312 72 V C 0.184 176.267 176.094 -0.017 0.000 1.115 72 V CA 0.085 62.365 62.300 -0.032 0.000 0.998 72 V CB 0.787 32.508 31.823 -0.170 0.000 1.042 72 V HN 1.846 nan 8.190 nan 0.000 0.433 73 G N -0.169 108.603 108.800 -0.047 0.000 2.541 73 G HA2 0.558 4.482 3.960 -0.060 0.000 0.686 73 G HA3 0.558 4.482 3.960 -0.060 0.000 0.686 73 G C -0.041 175.053 174.900 0.323 0.000 1.286 73 G CA -0.139 45.016 45.100 0.091 0.000 0.894 73 G HN 2.856 nan 8.290 nan 0.000 0.575 74 G N -1.642 107.397 108.800 0.399 0.000 2.336 74 G HA2 0.794 4.718 3.960 -0.060 0.000 0.286 74 G HA3 0.794 4.718 3.960 -0.060 0.000 0.286 74 G C -2.000 172.983 174.900 0.138 0.000 1.269 74 G CA 0.973 46.264 45.100 0.319 0.000 0.873 74 G HN 1.017 nan 8.290 nan 0.000 0.494 75 P HA 0.073 nan 4.420 nan 0.000 0.216 75 P C 1.400 178.562 177.300 -0.231 0.000 1.156 75 P CA 1.203 64.240 63.100 -0.105 0.000 0.855 75 P CB 0.168 31.798 31.700 -0.117 0.000 0.786 76 K N -1.004 119.071 120.400 -0.542 0.000 2.520 76 K HA -0.093 4.191 4.320 -0.060 0.000 0.197 76 K C -0.035 176.097 176.600 -0.780 0.000 1.043 76 K CA 0.758 56.549 56.287 -0.827 0.000 0.944 76 K CB -0.089 31.610 32.500 -1.336 0.000 0.770 76 K HN 0.223 nan 8.250 nan 0.000 0.480 77 W N 1.887 123.185 121.300 -0.004 0.000 1.506 77 W HA 0.286 4.910 4.660 -0.060 0.000 0.296 77 W C -1.117 175.397 176.519 -0.009 0.000 0.847 77 W CA -0.983 56.357 57.345 -0.008 0.000 2.203 77 W CB 0.159 29.612 29.460 -0.013 0.000 2.219 77 W HN -0.122 nan 8.180 nan 0.000 0.464 78 D N 0.085 120.549 120.400 0.107 0.000 2.217 78 D HA 0.389 4.993 4.640 -0.060 0.000 0.243 78 D C 0.962 177.293 176.300 0.051 0.000 1.054 78 D CA -0.089 53.954 54.000 0.071 0.000 0.838 78 D CB 2.250 43.070 40.800 0.032 0.000 1.162 78 D HN 0.346 nan 8.370 nan 0.000 0.472 79 G N 1.995 110.822 108.800 0.046 0.000 2.324 79 G HA2 -0.219 3.705 3.960 -0.060 0.000 0.292 79 G HA3 -0.219 3.705 3.960 -0.060 0.000 0.292 79 G C -0.261 174.660 174.900 0.035 0.000 1.079 79 G CA 0.044 45.162 45.100 0.031 0.000 1.026 79 G HN 0.378 nan 8.290 nan 0.000 0.506 80 L N -0.672 120.578 121.223 0.044 0.000 2.279 80 L HA 0.672 4.976 4.340 -0.060 0.000 0.262 80 L C -1.731 175.156 176.870 0.029 0.000 1.019 80 L CA -2.658 52.209 54.840 0.044 0.000 0.823 80 L CB 1.482 43.583 42.059 0.071 0.000 1.358 80 L HN -0.021 nan 8.230 nan 0.000 0.432 81 P HA 0.087 nan 4.420 nan 0.000 0.268 81 P C 0.166 177.472 177.300 0.010 0.000 1.208 81 P CA -0.352 62.757 63.100 0.015 0.000 0.777 81 P CB 0.570 32.280 31.700 0.016 0.000 0.875 82 R N 2.141 122.645 120.500 0.006 0.000 2.159 82 R HA -0.202 4.102 4.340 -0.060 0.000 0.237 82 R C 1.850 178.153 176.300 0.005 0.000 1.131 82 R CA 1.561 57.662 56.100 0.003 0.000 0.982 82 R CB -0.122 30.180 30.300 0.002 0.000 0.868 82 R HN 0.427 nan 8.270 nan 0.000 0.453 83 K N 0.537 120.942 120.400 0.009 0.000 1.977 83 K HA -0.179 4.105 4.320 -0.060 0.000 0.218 83 K C 1.797 178.402 176.600 0.009 0.000 1.051 83 K CA 1.900 58.194 56.287 0.012 0.000 0.953 83 K CB -0.223 32.285 32.500 0.014 0.000 0.727 83 K HN 0.265 nan 8.250 nan 0.000 0.445 84 I N 0.851 121.425 120.570 0.006 0.000 3.875 84 I HA -0.010 4.124 4.170 -0.060 0.000 0.329 84 I C 0.376 176.475 176.117 -0.030 0.000 1.295 84 I CA -0.287 61.012 61.300 -0.002 0.000 1.129 84 I CB 0.169 38.178 38.000 0.015 0.000 1.008 84 I HN 0.111 nan 8.210 nan 0.000 0.413 85 R N 1.411 121.894 120.500 -0.028 0.000 2.489 85 R HA 0.090 4.394 4.340 -0.060 0.000 0.287 85 R C -1.665 174.569 176.300 -0.109 0.000 1.053 85 R CA -1.026 55.047 56.100 -0.045 0.000 1.036 85 R CB 0.771 31.059 30.300 -0.021 0.000 0.966 85 R HN -0.039 nan 8.270 nan 0.000 0.432 86 P HA -0.140 nan 4.420 nan 0.000 0.216 86 P C 0.349 177.527 177.300 -0.203 0.000 1.153 86 P CA 1.050 63.986 63.100 -0.273 0.000 0.848 86 P CB 0.244 31.766 31.700 -0.298 0.000 0.787 87 E N -0.863 119.273 120.200 -0.106 0.000 2.338 87 E HA -0.106 4.208 4.350 -0.060 0.000 0.197 87 E C 1.427 177.995 176.600 -0.053 0.000 1.007 87 E CA 1.425 57.786 56.400 -0.064 0.000 0.849 87 E CB -0.777 28.905 29.700 -0.029 0.000 0.774 87 E HN 0.301 nan 8.360 nan 0.000 0.506 88 T N -4.222 110.299 114.554 -0.056 0.000 3.060 88 T HA 0.179 4.493 4.350 -0.060 0.000 0.249 88 T C 1.871 176.552 174.700 -0.032 0.000 1.079 88 T CA 0.257 62.339 62.100 -0.030 0.000 1.013 88 T CB 0.363 69.223 68.868 -0.013 0.000 0.975 88 T HN 0.126 nan 8.240 nan 0.000 0.518 89 G N 2.071 110.817 108.800 -0.089 0.000 2.418 89 G HA2 -0.057 3.868 3.960 -0.060 0.000 0.217 89 G HA3 -0.057 3.868 3.960 -0.060 0.000 0.217 89 G C 1.397 176.290 174.900 -0.011 0.000 1.158 89 G CA 0.455 45.497 45.100 -0.097 0.000 0.771 89 G HN 0.478 nan 8.290 nan 0.000 0.545 90 L N -0.268 120.958 121.223 0.006 0.000 2.051 90 L HA -0.137 4.167 4.340 -0.060 0.000 0.214 90 L C 2.917 179.776 176.870 -0.018 0.000 1.076 90 L CA 0.995 55.868 54.840 0.054 0.000 0.758 90 L CB -0.260 41.813 42.059 0.023 0.000 0.890 90 L HN 0.233 nan 8.230 nan 0.000 0.433 91 L N -1.934 119.281 121.223 -0.014 0.000 2.131 91 L HA -0.131 4.173 4.340 -0.060 0.000 0.206 91 L C 2.650 179.513 176.870 -0.011 0.000 1.087 91 L CA 0.642 55.479 54.840 -0.005 0.000 0.767 91 L CB -0.290 41.780 42.059 0.018 0.000 0.917 91 L HN 0.122 nan 8.230 nan 0.000 0.441 92 S N 0.143 115.844 115.700 0.000 0.000 2.356 92 S HA -0.184 4.250 4.470 -0.060 0.000 0.223 92 S C 1.841 176.415 174.600 -0.043 0.000 1.032 92 S CA 1.395 59.620 58.200 0.040 0.000 1.005 92 S CB -0.310 62.987 63.200 0.161 0.000 0.867 92 S HN 0.259 nan 8.310 nan 0.000 0.449 93 L N 2.167 123.214 121.223 -0.292 0.000 1.971 93 L HA -0.151 4.153 4.340 -0.060 0.000 0.215 93 L C 2.233 178.957 176.870 -0.244 0.000 1.072 93 L CA 1.898 56.415 54.840 -0.537 0.000 0.758 93 L CB -0.521 41.120 42.059 -0.697 0.000 0.889 93 L HN 0.152 nan 8.230 nan 0.000 0.433 94 R N -0.709 119.687 120.500 -0.175 0.000 2.120 94 R HA -0.159 4.145 4.340 -0.060 0.000 0.234 94 R C 2.418 178.665 176.300 -0.089 0.000 1.123 94 R CA 1.484 57.506 56.100 -0.130 0.000 0.975 94 R CB -0.310 29.932 30.300 -0.097 0.000 0.866 94 R HN 0.433 nan 8.270 nan 0.000 0.446 95 K N 0.551 120.916 120.400 -0.058 0.000 2.031 95 K HA -0.091 4.193 4.320 -0.060 0.000 0.205 95 K C 2.138 178.723 176.600 -0.025 0.000 1.049 95 K CA 1.559 57.822 56.287 -0.042 0.000 0.939 95 K CB 0.001 32.486 32.500 -0.024 0.000 0.717 95 K HN 0.143 nan 8.250 nan 0.000 0.438 96 S N 0.576 116.278 115.700 0.003 0.000 2.440 96 S HA -0.136 4.298 4.470 -0.060 0.000 0.238 96 S C 1.462 176.063 174.600 0.002 0.000 1.010 96 S CA 0.951 59.169 58.200 0.030 0.000 0.972 96 S CB -0.066 63.202 63.200 0.112 0.000 0.774 96 S HN 0.276 nan 8.310 nan 0.000 0.501 97 Q N 0.860 120.641 119.800 -0.032 0.000 2.282 97 Q HA 0.214 4.518 4.340 -0.060 0.000 0.206 97 Q C -0.129 175.841 176.000 -0.050 0.000 0.878 97 Q CA 0.440 56.212 55.803 -0.051 0.000 0.944 97 Q CB -0.510 28.172 28.738 -0.093 0.000 1.100 97 Q HN 0.702 nan 8.270 nan 0.000 0.509 98 D N 0.719 121.099 120.400 -0.034 0.000 2.904 98 D HA -0.194 4.410 4.640 -0.060 0.000 0.231 98 D C -1.223 175.067 176.300 -0.017 0.000 1.185 98 D CA 0.330 54.329 54.000 -0.003 0.000 0.783 98 D CB -1.057 39.767 40.800 0.040 0.000 0.961 98 D HN 0.218 nan 8.370 nan 0.000 0.409 99 L N 2.744 123.916 121.223 -0.085 0.000 2.270 99 L HA 0.306 4.610 4.340 -0.060 0.000 0.286 99 L C 1.413 178.205 176.870 -0.129 0.000 1.059 99 L CA -0.948 53.770 54.840 -0.204 0.000 0.839 99 L CB 0.297 42.225 42.059 -0.219 0.000 1.221 99 L HN 0.268 nan 8.230 nan 0.000 0.431 100 F N 0.816 120.739 119.950 -0.045 0.000 2.776 100 F HA 0.552 5.042 4.527 -0.061 0.000 0.300 100 F C 0.755 176.558 175.800 0.004 0.000 1.116 100 F CA -0.696 57.297 58.000 -0.013 0.000 1.375 100 F CB 0.013 39.013 39.000 -0.001 0.000 1.109 100 F HN 0.263 nan 8.300 nan 0.000 0.585 101 A N 1.194 123.875 122.820 -0.233 0.000 2.335 101 A HA 0.574 4.858 4.320 -0.060 0.000 0.304 101 A C -1.402 176.098 177.584 -0.139 0.000 1.118 101 A CA -0.637 51.345 52.037 -0.091 0.000 0.757 101 A CB 0.507 19.430 19.000 -0.128 0.000 1.188 101 A HN 0.267 nan 8.150 nan 0.000 0.460 102 N N 1.709 120.376 118.700 -0.054 0.000 2.424 102 N HA 0.605 5.309 4.740 -0.060 0.000 0.271 102 N C -1.561 173.910 175.510 -0.064 0.000 0.985 102 N CA -0.277 52.729 53.050 -0.073 0.000 0.921 102 N CB 0.871 39.342 38.487 -0.026 0.000 1.149 102 N HN 0.425 nan 8.380 nan 0.000 0.492 103 L N 3.539 124.704 121.223 -0.096 0.000 2.294 103 L HA 0.512 4.816 4.340 -0.060 0.000 0.283 103 L C -0.092 176.761 176.870 -0.029 0.000 1.015 103 L CA -0.175 54.620 54.840 -0.076 0.000 0.831 103 L CB 1.157 43.127 42.059 -0.148 0.000 1.217 103 L HN 0.453 nan 8.230 nan 0.000 0.420 104 R N 4.668 125.164 120.500 -0.007 0.000 2.435 104 R HA 0.479 4.783 4.340 -0.060 0.000 0.308 104 R C -2.576 173.736 176.300 0.020 0.000 0.975 104 R CA -1.581 54.527 56.100 0.013 0.000 0.867 104 R CB 1.847 32.153 30.300 0.011 0.000 1.171 104 R HN 0.275 nan 8.270 nan 0.000 0.470 105 P HA 0.244 nan 4.420 nan 0.000 0.296 105 P C -1.200 176.109 177.300 0.016 0.000 1.306 105 P CA -0.612 62.504 63.100 0.027 0.000 0.818 105 P CB 1.849 33.575 31.700 0.043 0.000 0.969 106 A N 3.776 126.594 122.820 -0.005 0.000 2.273 106 A HA 0.466 4.750 4.320 -0.060 0.000 0.320 106 A C -0.037 177.505 177.584 -0.071 0.000 1.358 106 A CA -0.583 51.444 52.037 -0.016 0.000 0.910 106 A CB 0.162 19.160 19.000 -0.003 0.000 1.159 106 A HN 0.454 nan 8.150 nan 0.000 0.526 107 K N 2.482 122.795 120.400 -0.145 0.000 2.274 107 K HA 0.548 4.832 4.320 -0.060 0.000 0.262 107 K C -1.269 175.126 176.600 -0.343 0.000 0.961 107 K CA -0.470 55.618 56.287 -0.332 0.000 0.833 107 K CB 1.652 33.778 32.500 -0.623 0.000 1.102 107 K HN 0.393 nan 8.250 nan 0.000 0.436 108 V N 6.203 125.976 119.914 -0.235 0.000 2.339 108 V HA 0.221 4.305 4.120 -0.060 0.000 0.261 108 V C -0.289 175.722 176.094 -0.139 0.000 1.058 108 V CA -0.543 61.690 62.300 -0.112 0.000 0.897 108 V CB -0.369 31.436 31.823 -0.030 0.000 1.052 108 V HN 0.608 nan 8.190 nan 0.000 0.480 109 F N 6.144 126.109 119.950 0.025 0.000 2.506 109 F HA 0.268 4.760 4.527 -0.058 0.000 0.351 109 F C -1.502 174.307 175.800 0.015 0.000 1.136 109 F CA -1.993 56.020 58.000 0.021 0.000 1.298 109 F CB -0.116 38.901 39.000 0.028 0.000 1.145 109 F HN 0.323 nan 8.300 nan 0.000 0.593 110 P HA 0.042 nan 4.420 nan 0.000 0.261 110 P C 0.672 178.037 177.300 0.109 0.000 1.173 110 P CA 1.612 64.782 63.100 0.116 0.000 0.760 110 P CB 0.255 32.012 31.700 0.094 0.000 0.783 111 G N 2.543 111.389 108.800 0.075 0.000 2.225 111 G HA2 -0.289 3.635 3.960 -0.060 0.000 0.254 111 G HA3 -0.289 3.635 3.960 -0.060 0.000 0.254 111 G C 0.486 175.428 174.900 0.069 0.000 0.988 111 G CA -0.103 45.034 45.100 0.062 0.000 0.625 111 G HN 0.488 nan 8.290 nan 0.000 0.527 112 L N 1.013 122.295 121.223 0.099 0.000 2.685 112 L HA 0.437 4.741 4.340 -0.060 0.000 0.233 112 L C 1.954 178.868 176.870 0.074 0.000 1.173 112 L CA 0.830 55.730 54.840 0.099 0.000 0.961 112 L CB 0.469 42.625 42.059 0.163 0.000 1.217 112 L HN 0.243 nan 8.230 nan 0.000 0.478 113 E N 0.035 120.269 120.200 0.055 0.000 2.118 113 E HA -0.228 4.086 4.350 -0.060 0.000 0.195 113 E C 2.218 178.837 176.600 0.033 0.000 0.992 113 E CA 0.969 57.392 56.400 0.039 0.000 0.804 113 E CB -0.239 29.479 29.700 0.029 0.000 0.741 113 E HN 0.346 nan 8.360 nan 0.000 0.458 114 R N 0.936 121.455 120.500 0.032 0.000 2.127 114 R HA -0.158 4.146 4.340 -0.060 0.000 0.238 114 R C 1.926 178.241 176.300 0.025 0.000 1.134 114 R CA 1.194 57.309 56.100 0.025 0.000 0.975 114 R CB -0.417 29.897 30.300 0.023 0.000 0.865 114 R HN 0.259 nan 8.270 nan 0.000 0.447 115 L N 0.918 122.160 121.223 0.032 0.000 2.141 115 L HA -0.034 4.270 4.340 -0.060 0.000 0.209 115 L C 1.507 178.394 176.870 0.028 0.000 1.094 115 L CA 0.564 55.422 54.840 0.030 0.000 0.763 115 L CB -0.370 41.713 42.059 0.040 0.000 0.908 115 L HN 0.170 nan 8.230 nan 0.000 0.437 116 S N 0.125 115.843 115.700 0.029 0.000 2.572 116 S HA 0.076 4.510 4.470 -0.060 0.000 0.279 116 S C -1.102 173.510 174.600 0.020 0.000 1.341 116 S CA -1.187 57.028 58.200 0.025 0.000 1.043 116 S CB 0.840 64.054 63.200 0.024 0.000 0.887 116 S HN 0.064 nan 8.310 nan 0.000 0.516 117 P HA 0.084 nan 4.420 nan 0.000 0.236 117 P C -0.077 177.232 177.300 0.015 0.000 1.177 117 P CA 0.365 63.474 63.100 0.015 0.000 0.773 117 P CB 0.010 31.718 31.700 0.014 0.000 0.878 118 L N 0.389 121.622 121.223 0.016 0.000 2.417 118 L HA 0.198 4.502 4.340 -0.060 0.000 0.268 118 L C 1.121 178.000 176.870 0.015 0.000 1.158 118 L CA -0.737 54.113 54.840 0.016 0.000 0.819 118 L CB 0.209 42.279 42.059 0.019 0.000 1.112 118 L HN -0.203 nan 8.230 nan 0.000 0.458 119 K N 1.718 122.126 120.400 0.013 0.000 2.469 119 K HA -0.056 4.228 4.320 -0.060 0.000 0.274 119 K C 0.948 177.555 176.600 0.012 0.000 0.983 119 K CA -0.007 56.286 56.287 0.011 0.000 0.974 119 K CB 0.608 33.114 32.500 0.010 0.000 0.913 119 K HN 0.590 nan 8.250 nan 0.000 0.493 120 E N 2.045 122.252 120.200 0.011 0.000 2.086 120 E HA -0.263 4.051 4.350 -0.060 0.000 0.200 120 E C 1.540 178.145 176.600 0.008 0.000 1.012 120 E CA 1.530 57.937 56.400 0.012 0.000 0.812 120 E CB 0.172 29.879 29.700 0.012 0.000 0.743 120 E HN 0.466 nan 8.360 nan 0.000 0.453 121 E N 0.366 120.569 120.200 0.006 0.000 2.058 121 E HA -0.204 4.110 4.350 -0.060 0.000 0.194 121 E C 2.237 178.837 176.600 0.000 0.000 0.997 121 E CA 1.005 57.406 56.400 0.002 0.000 0.801 121 E CB -0.385 29.316 29.700 0.001 0.000 0.746 121 E HN 0.379 nan 8.360 nan 0.000 0.450 122 I N 1.261 121.833 120.570 0.005 0.000 2.252 122 I HA -0.209 3.925 4.170 -0.060 0.000 0.245 122 I C 2.499 178.621 176.117 0.008 0.000 1.102 122 I CA 1.170 62.474 61.300 0.007 0.000 1.385 122 I CB -0.302 37.707 38.000 0.014 0.000 1.064 122 I HN -0.002 nan 8.210 nan 0.000 0.414 123 A N 0.252 123.078 122.820 0.010 0.000 2.015 123 A HA -0.124 4.160 4.320 -0.060 0.000 0.219 123 A C 1.619 179.204 177.584 0.002 0.000 1.163 123 A CA 0.391 52.434 52.037 0.009 0.000 0.646 123 A CB -0.458 18.551 19.000 0.014 0.000 0.806 123 A HN 0.275 nan 8.150 nan 0.000 0.448 124 R N -0.110 120.390 120.500 0.000 0.000 2.473 124 R HA 0.238 4.543 4.340 -0.060 0.000 0.315 124 R C 1.023 177.313 176.300 -0.017 0.000 0.972 124 R CA 0.969 57.067 56.100 -0.004 0.000 1.047 124 R CB -0.400 29.898 30.300 -0.002 0.000 0.932 124 R HN 0.792 nan 8.270 nan 0.000 0.411 125 G N 2.586 111.371 108.800 -0.024 0.000 2.132 125 G HA2 -0.248 3.676 3.960 -0.060 0.000 0.234 125 G HA3 -0.248 3.676 3.960 -0.060 0.000 0.234 125 G C 0.003 174.875 174.900 -0.047 0.000 0.989 125 G CA -0.021 45.057 45.100 -0.037 0.000 0.676 125 G HN 0.529 nan 8.290 nan 0.000 0.522 126 V N 1.303 121.191 119.914 -0.044 0.000 2.479 126 V HA 0.469 4.554 4.120 -0.060 0.000 0.281 126 V C 0.193 176.243 176.094 -0.073 0.000 1.031 126 V CA 0.887 63.165 62.300 -0.036 0.000 1.038 126 V CB 1.517 33.330 31.823 -0.017 0.000 0.981 126 V HN 0.453 nan 8.190 nan 0.000 0.478 127 D N 4.431 124.803 120.400 -0.048 0.000 2.319 127 D HA 0.319 4.923 4.640 -0.060 0.000 0.237 127 D C -1.346 174.950 176.300 -0.007 0.000 1.353 127 D CA -0.205 53.756 54.000 -0.064 0.000 0.992 127 D CB 1.757 42.504 40.800 -0.089 0.000 1.368 127 D HN 0.374 nan 8.370 nan 0.000 0.564 128 V N 4.464 124.382 119.914 0.006 0.000 2.577 128 V HA 0.648 4.732 4.120 -0.060 0.000 0.303 128 V C -1.661 174.443 176.094 0.016 0.000 1.042 128 V CA -0.846 61.477 62.300 0.038 0.000 0.872 128 V CB 1.675 33.538 31.823 0.065 0.000 0.998 128 V HN 0.460 nan 8.190 nan 0.000 0.423 129 L N 8.303 129.540 121.223 0.023 0.000 2.272 129 L HA 0.576 4.880 4.340 -0.060 0.000 0.284 129 L C -0.331 176.536 176.870 -0.005 0.000 1.045 129 L CA -0.121 54.729 54.840 0.017 0.000 0.842 129 L CB 0.861 42.942 42.059 0.038 0.000 1.224 129 L HN 0.556 nan 8.230 nan 0.000 0.430 130 I N 6.231 126.792 120.570 -0.016 0.000 2.396 130 I HA 0.186 4.320 4.170 -0.060 0.000 0.289 130 I C -0.081 176.025 176.117 -0.019 0.000 1.056 130 I CA -0.297 60.985 61.300 -0.029 0.000 1.365 130 I CB 1.031 39.011 38.000 -0.033 0.000 1.407 130 I HN 0.209 nan 8.210 nan 0.000 0.509 131 V N 7.774 127.677 119.914 -0.018 0.000 2.370 131 V HA 0.440 4.524 4.120 -0.060 0.000 0.283 131 V C 0.345 176.455 176.094 0.027 0.000 1.023 131 V CA -0.774 61.522 62.300 -0.007 0.000 0.857 131 V CB 1.683 33.497 31.823 -0.016 0.000 0.985 131 V HN 0.729 nan 8.190 nan 0.000 0.443 132 R N 3.616 124.138 120.500 0.037 0.000 2.439 132 R HA 0.367 4.671 4.340 -0.060 0.000 0.310 132 R C -0.257 176.111 176.300 0.114 0.000 0.955 132 R CA -0.588 55.550 56.100 0.064 0.000 0.853 132 R CB 1.421 31.749 30.300 0.046 0.000 1.171 132 R HN 0.725 nan 8.270 nan 0.000 0.449 133 E N 3.911 124.216 120.200 0.174 0.000 2.414 133 E HA -0.048 4.266 4.350 -0.060 0.000 0.263 133 E C -0.368 176.372 176.600 0.233 0.000 1.000 133 E CA 0.225 56.777 56.400 0.253 0.000 0.914 133 E CB 1.184 31.086 29.700 0.336 0.000 0.948 133 E HN 0.607 nan 8.360 nan 0.000 0.444 134 L N 3.444 124.815 121.223 0.247 0.000 2.840 134 L HA 0.066 4.370 4.340 -0.060 0.000 0.249 134 L C 1.460 178.485 176.870 0.258 0.000 1.119 134 L CA 0.911 55.885 54.840 0.224 0.000 0.930 134 L CB 0.392 42.531 42.059 0.133 0.000 1.295 134 L HN 0.654 nan 8.230 nan 0.000 0.534 135 T N -3.764 110.905 114.554 0.191 0.000 3.145 135 T HA 0.616 4.930 4.350 -0.060 0.000 0.281 135 T C 0.627 175.313 174.700 -0.024 0.000 1.003 135 T CA 0.192 62.251 62.100 -0.069 0.000 0.901 135 T CB 0.461 69.260 68.868 -0.115 0.000 1.112 135 T HN 0.161 nan 8.240 nan 0.000 0.535 136 G N -0.250 108.698 108.800 0.247 0.000 3.247 136 G HA2 0.710 4.634 3.960 -0.060 0.000 0.226 136 G HA3 0.710 4.634 3.960 -0.060 0.000 0.226 136 G C 0.305 175.234 174.900 0.048 0.000 1.220 136 G CA -0.250 44.943 45.100 0.155 0.000 0.875 136 G HN 0.996 nan 8.290 nan 0.000 0.606 137 G N -1.047 107.432 108.800 -0.535 0.000 2.750 137 G HA2 -0.106 3.818 3.960 -0.060 0.000 0.228 137 G HA3 -0.106 3.818 3.960 -0.060 0.000 0.228 137 G C 1.085 175.796 174.900 -0.316 0.000 1.367 137 G CA 0.383 45.099 45.100 -0.641 0.000 0.871 137 G HN 1.487 nan 8.290 nan 0.000 0.560 138 I N -0.781 119.597 120.570 -0.319 0.000 2.300 138 I HA -0.237 3.897 4.170 -0.060 0.000 0.252 138 I C 2.497 178.568 176.117 -0.077 0.000 1.119 138 I CA 2.396 63.586 61.300 -0.184 0.000 1.384 138 I CB -0.153 37.741 38.000 -0.175 0.000 1.062 138 I HN 0.568 nan 8.210 nan 0.000 0.426 139 Y N -0.197 119.950 120.300 -0.256 0.000 2.293 139 Y HA -0.129 4.385 4.550 -0.060 0.000 0.291 139 Y C 1.645 177.115 175.900 -0.716 0.000 1.137 139 Y CA 1.058 58.853 58.100 -0.508 0.000 1.202 139 Y CB -0.797 37.263 38.460 -0.665 0.000 0.990 139 Y HN 0.216 nan 8.280 nan 0.000 0.537 140 F N -1.295 118.693 119.950 0.064 0.000 2.729 140 F HA 0.438 4.929 4.527 -0.059 0.000 0.315 140 F C 1.456 177.236 175.800 -0.033 0.000 1.102 140 F CA -0.680 57.327 58.000 0.011 0.000 1.204 140 F CB -0.190 38.816 39.000 0.011 0.000 1.052 140 F HN -0.204 nan 8.300 nan 0.000 0.551 141 G N 0.781 109.611 108.800 0.051 0.000 2.527 141 G HA2 0.470 4.394 3.960 -0.060 0.000 0.248 141 G HA3 0.470 4.394 3.960 -0.060 0.000 0.248 141 G C -0.393 174.520 174.900 0.021 0.000 1.231 141 G CA -0.114 44.987 45.100 0.002 0.000 0.838 141 G HN 0.249 nan 8.290 nan 0.000 0.570 142 E N 0.699 120.914 120.200 0.026 0.000 2.369 142 E HA 0.302 4.616 4.350 -0.060 0.000 0.270 142 E C -2.515 174.122 176.600 0.061 0.000 0.909 142 E CA -1.726 54.706 56.400 0.053 0.000 0.775 142 E CB 2.210 31.942 29.700 0.052 0.000 1.270 142 E HN 0.234 nan 8.360 nan 0.000 0.445 143 P HA -0.017 nan 4.420 nan 0.000 0.266 143 P C -1.043 176.413 177.300 0.260 0.000 1.193 143 P CA 0.344 63.571 63.100 0.211 0.000 0.770 143 P CB 0.357 32.205 31.700 0.247 0.000 0.836 144 R N 0.890 121.494 120.500 0.172 0.000 2.566 144 R HA 0.814 5.118 4.340 -0.060 0.000 0.271 144 R C -0.815 175.187 176.300 -0.497 0.000 1.071 144 R CA -0.880 55.122 56.100 -0.163 0.000 0.915 144 R CB 1.492 31.719 30.300 -0.120 0.000 1.228 144 R HN 0.642 nan 8.270 nan 0.000 0.449 145 G N 1.504 109.507 108.800 -1.329 0.000 2.341 145 G HA2 0.467 4.391 3.960 -0.060 0.000 0.299 145 G HA3 0.467 4.391 3.960 -0.060 0.000 0.299 145 G C -1.837 172.040 174.900 -1.705 0.000 1.274 145 G CA -0.488 43.853 45.100 -1.265 0.000 0.853 145 G HN 0.785 nan 8.290 nan 0.000 0.493 146 M N 0.405 119.339 119.600 -1.110 0.000 2.426 146 M HA 0.645 5.089 4.480 -0.060 0.000 0.289 146 M C -0.897 175.316 176.300 -0.146 0.000 1.168 146 M CA -0.300 54.676 55.300 -0.540 0.000 0.933 146 M CB 2.022 34.429 32.600 -0.322 0.000 1.750 146 M HN 1.549 nan 8.290 nan 0.000 0.494 147 S N 1.437 117.176 115.700 0.066 0.000 2.806 147 S HA 0.463 4.897 4.470 -0.060 0.000 0.306 147 S C 0.482 175.122 174.600 0.068 0.000 1.167 147 S CA -0.360 57.903 58.200 0.105 0.000 0.847 147 S CB 1.568 64.886 63.200 0.196 0.000 1.216 147 S HN 0.931 nan 8.310 nan 0.000 0.532 148 E N 0.108 120.341 120.200 0.055 0.000 2.169 148 E HA -0.248 4.066 4.350 -0.060 0.000 0.202 148 E C 1.910 178.540 176.600 0.049 0.000 1.016 148 E CA 1.794 58.218 56.400 0.040 0.000 0.817 148 E CB -0.398 29.322 29.700 0.033 0.000 0.736 148 E HN 0.708 nan 8.360 nan 0.000 0.462 149 A N 0.182 123.045 122.820 0.072 0.000 1.956 149 A HA 0.009 4.293 4.320 -0.060 0.000 0.212 149 A C 0.831 178.470 177.584 0.092 0.000 1.188 149 A CA 0.887 52.966 52.037 0.069 0.000 0.675 149 A CB 0.156 19.191 19.000 0.059 0.000 0.845 149 A HN 0.412 nan 8.150 nan 0.000 0.455 150 E N -2.595 117.698 120.200 0.155 0.000 2.425 150 E HA 0.688 5.002 4.350 -0.060 0.000 0.272 150 E C -1.114 175.647 176.600 0.269 0.000 1.061 150 E CA -0.651 55.870 56.400 0.201 0.000 0.877 150 E CB 0.915 30.740 29.700 0.208 0.000 1.590 150 E HN 0.584 nan 8.360 nan 0.000 0.462 151 A N -0.006 122.985 122.820 0.284 0.000 2.574 151 A HA 0.754 5.038 4.320 -0.060 0.000 0.297 151 A C -2.096 175.657 177.584 0.282 0.000 1.062 151 A CA -0.625 51.449 52.037 0.061 0.000 0.686 151 A CB 0.887 19.835 19.000 -0.086 0.000 1.285 151 A HN 0.731 nan 8.150 nan 0.000 0.403 152 W N 0.731 122.025 121.300 -0.010 0.000 3.083 152 W HA 0.841 5.463 4.660 -0.062 0.000 0.333 152 W C -1.073 175.438 176.519 -0.014 0.000 1.217 152 W CA -0.635 56.704 57.345 -0.011 0.000 1.170 152 W CB 1.340 30.794 29.460 -0.011 0.000 1.437 152 W HN 0.596 nan 8.180 nan 0.000 0.557 153 N N 0.241 119.031 118.700 0.150 0.000 2.484 153 N HA 0.450 5.154 4.740 -0.060 0.000 0.269 153 N C -1.823 173.735 175.510 0.080 0.000 1.237 153 N CA -0.649 52.429 53.050 0.046 0.000 0.838 153 N CB 2.758 41.238 38.487 -0.011 0.000 1.593 153 N HN 0.455 nan 8.380 nan 0.000 0.485 154 T N 0.836 115.414 114.554 0.040 0.000 2.847 154 T HA 0.174 4.488 4.350 -0.060 0.000 0.291 154 T C -0.373 174.299 174.700 -0.047 0.000 0.998 154 T CA -0.421 61.691 62.100 0.020 0.000 0.967 154 T CB 1.355 70.245 68.868 0.038 0.000 0.954 154 T HN 0.400 nan 8.240 nan 0.000 0.441 155 E N 3.436 123.599 120.200 -0.062 0.000 1.996 155 E HA 0.297 4.611 4.350 -0.060 0.000 0.280 155 E C -0.064 176.467 176.600 -0.114 0.000 1.092 155 E CA -0.467 55.856 56.400 -0.128 0.000 0.862 155 E CB 0.393 30.028 29.700 -0.109 0.000 1.066 155 E HN 0.468 nan 8.360 nan 0.000 0.396 156 R N 4.169 124.545 120.500 -0.207 0.000 2.621 156 R HA 0.442 4.746 4.340 -0.060 0.000 0.292 156 R C -1.584 174.519 176.300 -0.328 0.000 0.969 156 R CA -0.654 55.341 56.100 -0.175 0.000 0.887 156 R CB 0.838 31.061 30.300 -0.129 0.000 1.180 156 R HN 0.475 nan 8.270 nan 0.000 0.450 157 Y N 1.017 121.323 120.300 0.011 0.000 2.470 157 Y HA 0.277 4.790 4.550 -0.062 0.000 0.341 157 Y C -0.196 175.702 175.900 -0.003 0.000 1.021 157 Y CA -0.420 57.730 58.100 0.083 0.000 1.025 157 Y CB 2.634 41.257 38.460 0.272 0.000 1.266 157 Y HN 0.766 nan 8.280 nan 0.000 0.448 158 S N 1.649 117.495 115.700 0.243 0.000 2.722 158 S HA 0.428 4.862 4.470 -0.060 0.000 0.292 158 S C 0.994 175.789 174.600 0.326 0.000 1.135 158 S CA -0.871 57.426 58.200 0.163 0.000 1.003 158 S CB 2.077 65.319 63.200 0.070 0.000 1.067 158 S HN 0.786 nan 8.310 nan 0.000 0.546 159 K N 0.748 121.358 120.400 0.350 0.000 2.032 159 K HA -0.029 4.255 4.320 -0.060 0.000 0.209 159 K C -1.015 175.610 176.600 0.043 0.000 1.048 159 K CA 1.652 58.083 56.287 0.240 0.000 0.927 159 K CB -1.234 31.387 32.500 0.201 0.000 0.712 159 K HN 0.483 nan 8.250 nan 0.000 0.441 160 P HA -0.107 nan 4.420 nan 0.000 0.219 160 P C 0.283 177.519 177.300 -0.107 0.000 1.150 160 P CA 1.201 64.269 63.100 -0.053 0.000 0.814 160 P CB 0.076 31.750 31.700 -0.044 0.000 0.787 161 E N -0.440 119.738 120.200 -0.037 0.000 2.077 161 E HA -0.108 4.206 4.350 -0.060 0.000 0.193 161 E C 1.906 178.422 176.600 -0.141 0.000 0.989 161 E CA 1.144 57.522 56.400 -0.038 0.000 0.800 161 E CB -0.650 29.166 29.700 0.193 0.000 0.746 161 E HN 0.080 nan 8.360 nan 0.000 0.452 162 V N 1.615 121.405 119.914 -0.207 0.000 2.323 162 V HA -0.222 3.862 4.120 -0.060 0.000 0.244 162 V C 2.074 177.914 176.094 -0.424 0.000 1.041 162 V CA 1.764 63.734 62.300 -0.551 0.000 1.025 162 V CB -0.589 30.780 31.823 -0.757 0.000 0.656 162 V HN 0.201 nan 8.190 nan 0.000 0.451 163 E N 0.824 120.859 120.200 -0.276 0.000 2.065 163 E HA -0.313 4.001 4.350 -0.060 0.000 0.201 163 E C 2.384 178.898 176.600 -0.143 0.000 1.016 163 E CA 2.127 58.417 56.400 -0.183 0.000 0.818 163 E CB -0.308 29.317 29.700 -0.125 0.000 0.749 163 E HN 0.710 nan 8.360 nan 0.000 0.453 164 R N 0.690 121.064 120.500 -0.211 0.000 2.073 164 R HA -0.030 4.274 4.340 -0.060 0.000 0.229 164 R C 2.352 178.625 176.300 -0.045 0.000 1.120 164 R CA 1.177 57.142 56.100 -0.226 0.000 0.967 164 R CB -0.847 29.080 30.300 -0.621 0.000 0.862 164 R HN 0.043 nan 8.270 nan 0.000 0.436 165 V N 1.358 121.228 119.914 -0.074 0.000 2.490 165 V HA -0.147 3.937 4.120 -0.060 0.000 0.250 165 V C 2.393 178.512 176.094 0.042 0.000 1.061 165 V CA 1.924 64.302 62.300 0.130 0.000 1.064 165 V CB -0.274 31.639 31.823 0.150 0.000 0.670 165 V HN 0.566 nan 8.190 nan 0.000 0.461 166 A N -0.147 122.636 122.820 -0.061 0.000 1.929 166 A HA -0.132 4.152 4.320 -0.060 0.000 0.216 166 A C 2.261 179.876 177.584 0.051 0.000 1.176 166 A CA 1.358 53.356 52.037 -0.065 0.000 0.628 166 A CB -0.469 18.476 19.000 -0.091 0.000 0.816 166 A HN 0.563 nan 8.150 nan 0.000 0.444 167 R N -0.454 120.109 120.500 0.106 0.000 2.083 167 R HA -0.117 4.187 4.340 -0.060 0.000 0.237 167 R C 2.034 178.379 176.300 0.074 0.000 1.137 167 R CA 1.528 57.704 56.100 0.126 0.000 0.951 167 R CB -0.898 29.506 30.300 0.173 0.000 0.851 167 R HN 0.364 nan 8.270 nan 0.000 0.434 168 V N 1.447 121.421 119.914 0.099 0.000 2.252 168 V HA -0.324 3.760 4.120 -0.060 0.000 0.249 168 V C 2.585 178.682 176.094 0.005 0.000 1.056 168 V CA 2.170 64.514 62.300 0.074 0.000 1.022 168 V CB -0.862 31.017 31.823 0.092 0.000 0.641 168 V HN 0.469 nan 8.190 nan 0.000 0.445 169 A N -0.805 121.979 122.820 -0.059 0.000 1.883 169 A HA -0.221 4.063 4.320 -0.060 0.000 0.217 169 A C 2.042 179.487 177.584 -0.232 0.000 1.186 169 A CA 2.079 54.022 52.037 -0.158 0.000 0.624 169 A CB -0.772 18.083 19.000 -0.241 0.000 0.822 169 A HN 0.466 nan 8.150 nan 0.000 0.444 170 F N 0.525 120.317 119.950 -0.264 0.000 2.134 170 F HA -0.133 4.360 4.527 -0.058 0.000 0.299 170 F C 2.547 178.149 175.800 -0.330 0.000 1.097 170 F CA 1.645 59.354 58.000 -0.485 0.000 1.264 170 F CB -0.250 38.042 39.000 -1.180 0.000 1.001 170 F HN 0.244 nan 8.300 nan 0.000 0.479 171 E N -0.062 120.131 120.200 -0.013 0.000 2.106 171 E HA -0.138 4.176 4.350 -0.060 0.000 0.192 171 E C 2.440 179.104 176.600 0.107 0.000 0.984 171 E CA 1.060 57.519 56.400 0.099 0.000 0.806 171 E CB -0.638 29.146 29.700 0.140 0.000 0.750 171 E HN 0.359 nan 8.360 nan 0.000 0.458 172 A N 1.717 124.593 122.820 0.094 0.000 1.898 172 A HA -0.056 4.228 4.320 -0.060 0.000 0.216 172 A C 2.460 180.094 177.584 0.084 0.000 1.181 172 A CA 1.871 53.988 52.037 0.132 0.000 0.620 172 A CB -0.566 18.508 19.000 0.125 0.000 0.819 172 A HN 0.262 nan 8.150 nan 0.000 0.442 173 A N -0.165 122.682 122.820 0.045 0.000 1.940 173 A HA -0.196 4.089 4.320 -0.060 0.000 0.219 173 A C 2.184 179.818 177.584 0.082 0.000 1.176 173 A CA 1.543 53.613 52.037 0.054 0.000 0.631 173 A CB -0.518 18.499 19.000 0.029 0.000 0.814 173 A HN 0.543 nan 8.150 nan 0.000 0.446 174 R N -0.497 120.064 120.500 0.102 0.000 2.200 174 R HA -0.111 4.193 4.340 -0.060 0.000 0.234 174 R C 1.431 177.776 176.300 0.075 0.000 1.127 174 R CA 1.570 57.734 56.100 0.106 0.000 0.989 174 R CB -0.165 30.217 30.300 0.137 0.000 0.869 174 R HN 0.521 nan 8.270 nan 0.000 0.459 175 K N -0.876 119.561 120.400 0.063 0.000 2.353 175 K HA 0.103 4.387 4.320 -0.060 0.000 0.195 175 K C 1.184 177.803 176.600 0.033 0.000 1.031 175 K CA 0.153 56.462 56.287 0.037 0.000 1.079 175 K CB 0.646 33.154 32.500 0.013 0.000 0.857 175 K HN 0.057 nan 8.250 nan 0.000 0.535 176 R N -0.032 120.495 120.500 0.046 0.000 2.228 176 R HA 0.324 4.628 4.340 -0.060 0.000 0.117 176 R C 1.022 177.349 176.300 0.044 0.000 1.672 176 R CA -0.420 55.705 56.100 0.041 0.000 1.446 176 R CB 0.209 30.537 30.300 0.047 0.000 1.215 176 R HN -0.179 nan 8.270 nan 0.000 0.451 177 R N 0.966 121.497 120.500 0.053 0.000 2.509 177 R HA 0.203 4.507 4.340 -0.060 0.000 0.300 177 R C -0.598 175.753 176.300 0.086 0.000 0.985 177 R CA 0.048 56.181 56.100 0.056 0.000 1.092 177 R CB 0.556 30.880 30.300 0.039 0.000 1.237 177 R HN 0.330 nan 8.270 nan 0.000 0.546 178 K N 0.619 121.074 120.400 0.092 0.000 3.129 178 K HA -0.229 4.055 4.320 -0.060 0.000 0.273 178 K C -0.765 175.911 176.600 0.127 0.000 1.123 178 K CA 0.856 57.206 56.287 0.105 0.000 0.800 178 K CB -1.857 30.698 32.500 0.091 0.000 1.238 178 K HN 0.369 nan 8.250 nan 0.000 0.492 179 H N -0.146 118.942 119.070 0.029 0.000 2.782 179 H HA 0.461 4.980 4.556 -0.062 0.000 0.347 179 H C -1.313 174.008 175.328 -0.012 0.000 1.038 179 H CA -0.575 55.482 56.048 0.014 0.000 1.255 179 H CB 1.573 31.335 29.762 0.001 0.000 1.623 179 H HN -0.028 nan 8.280 nan 0.000 0.525 180 V N 5.687 125.429 119.914 -0.286 0.000 2.604 180 V HA 0.324 4.408 4.120 -0.060 0.000 0.305 180 V C -0.204 175.746 176.094 -0.240 0.000 1.043 180 V CA -0.797 61.364 62.300 -0.232 0.000 0.888 180 V CB 2.013 33.545 31.823 -0.485 0.000 0.995 180 V HN 0.501 nan 8.190 nan 0.000 0.429 181 V N 3.245 123.128 119.914 -0.052 0.000 2.448 181 V HA 0.507 4.591 4.120 -0.060 0.000 0.295 181 V C 0.120 176.174 176.094 -0.068 0.000 1.025 181 V CA -0.222 62.063 62.300 -0.025 0.000 0.859 181 V CB 1.997 33.918 31.823 0.164 0.000 0.988 181 V HN 0.884 nan 8.190 nan 0.000 0.431 182 S N 4.051 119.711 115.700 -0.067 0.000 2.489 182 S HA 0.729 5.164 4.470 -0.060 0.000 0.291 182 S C -0.760 173.911 174.600 0.117 0.000 1.151 182 S CA -0.473 57.783 58.200 0.095 0.000 1.082 182 S CB 1.389 64.740 63.200 0.251 0.000 1.019 182 S HN 0.481 nan 8.310 nan 0.000 0.492 183 V N 5.388 125.330 119.914 0.047 0.000 2.409 183 V HA 0.532 4.616 4.120 -0.060 0.000 0.291 183 V C -0.629 175.370 176.094 -0.157 0.000 1.020 183 V CA -0.697 61.572 62.300 -0.053 0.000 0.848 183 V CB 1.307 33.073 31.823 -0.094 0.000 0.990 183 V HN 1.014 nan 8.190 nan 0.000 0.430 184 D N 3.696 124.074 120.400 -0.035 0.000 2.744 184 D HA 0.509 5.113 4.640 -0.060 0.000 0.304 184 D C -0.455 175.941 176.300 0.159 0.000 1.179 184 D CA -0.966 53.054 54.000 0.035 0.000 1.024 184 D CB 1.532 42.395 40.800 0.105 0.000 1.453 184 D HN 0.186 nan 8.370 nan 0.000 0.529 185 K N -0.594 119.956 120.400 0.251 0.000 3.174 185 K HA 0.617 4.901 4.320 -0.060 0.000 0.207 185 K C 0.473 177.184 176.600 0.185 0.000 1.190 185 K CA -0.218 56.175 56.287 0.177 0.000 1.054 185 K CB -0.112 32.459 32.500 0.118 0.000 1.154 185 K HN 0.479 nan 8.250 nan 0.000 0.495 186 A N 0.890 123.910 122.820 0.334 0.000 2.070 186 A HA -0.176 4.109 4.320 -0.060 0.000 0.220 186 A C 1.418 179.098 177.584 0.160 0.000 1.159 186 A CA 1.642 53.842 52.037 0.271 0.000 0.656 186 A CB -0.603 18.564 19.000 0.279 0.000 0.800 186 A HN 0.683 nan 8.150 nan 0.000 0.453 187 N N -0.534 118.140 118.700 -0.043 0.000 2.515 187 N HA -0.003 4.701 4.740 -0.060 0.000 0.185 187 N C 0.723 176.166 175.510 -0.111 0.000 1.109 187 N CA 1.548 54.499 53.050 -0.164 0.000 0.903 187 N CB 0.002 38.213 38.487 -0.460 0.000 0.969 187 N HN 0.292 nan 8.380 nan 0.000 0.450 188 V N -0.961 118.912 119.914 -0.068 0.000 3.368 188 V HA 0.311 4.395 4.120 -0.060 0.000 0.255 188 V C 0.343 176.448 176.094 0.019 0.000 1.466 188 V CA -0.059 62.221 62.300 -0.034 0.000 1.095 188 V CB 0.527 32.317 31.823 -0.056 0.000 0.899 188 V HN 0.055 nan 8.190 nan 0.000 0.440 189 L N 0.253 121.509 121.223 0.056 0.000 2.346 189 L HA 0.516 4.820 4.340 -0.060 0.000 0.276 189 L C 1.046 177.985 176.870 0.115 0.000 1.006 189 L CA -0.502 54.390 54.840 0.087 0.000 0.817 189 L CB 2.285 44.415 42.059 0.118 0.000 1.272 189 L HN -0.028 nan 8.230 nan 0.000 0.421 190 E N 1.296 121.557 120.200 0.102 0.000 2.153 190 E HA -0.153 4.161 4.350 -0.060 0.000 0.194 190 E C 1.810 178.525 176.600 0.192 0.000 0.988 190 E CA 0.914 57.387 56.400 0.123 0.000 0.811 190 E CB 0.076 29.823 29.700 0.078 0.000 0.746 190 E HN 0.492 nan 8.360 nan 0.000 0.466 191 V N 0.149 120.177 119.914 0.190 0.000 2.358 191 V HA -0.169 3.915 4.120 -0.060 0.000 0.246 191 V C 2.198 178.518 176.094 0.376 0.000 1.047 191 V CA 1.880 64.350 62.300 0.283 0.000 1.035 191 V CB -0.940 31.023 31.823 0.234 0.000 0.658 191 V HN 0.447 nan 8.190 nan 0.000 0.452 192 G N -0.727 108.246 108.800 0.289 0.000 2.491 192 G HA2 -0.334 3.590 3.960 -0.060 0.000 0.218 192 G HA3 -0.334 3.590 3.960 -0.060 0.000 0.218 192 G C 1.548 176.630 174.900 0.302 0.000 1.180 192 G CA 1.106 46.381 45.100 0.290 0.000 0.774 192 G HN 0.553 nan 8.290 nan 0.000 0.562 193 E N -0.773 119.577 120.200 0.250 0.000 2.152 193 E HA -0.072 4.242 4.350 -0.060 0.000 0.192 193 E C 2.057 178.783 176.600 0.209 0.000 0.983 193 E CA 0.325 56.842 56.400 0.194 0.000 0.818 193 E CB -0.178 29.617 29.700 0.158 0.000 0.758 193 E HN 0.425 nan 8.360 nan 0.000 0.467 194 F N 0.847 120.880 119.950 0.138 0.000 2.113 194 F HA -0.185 4.305 4.527 -0.062 0.000 0.297 194 F C 2.075 177.950 175.800 0.126 0.000 1.103 194 F CA 1.518 59.587 58.000 0.115 0.000 1.248 194 F CB -0.375 38.700 39.000 0.125 0.000 0.999 194 F HN 0.204 nan 8.300 nan 0.000 0.475 195 W N 2.061 123.426 121.300 0.108 0.000 2.304 195 W HA -0.310 4.321 4.660 -0.049 0.000 0.328 195 W C 2.650 179.115 176.519 -0.089 0.000 1.242 195 W CA 2.561 59.897 57.345 -0.016 0.000 1.243 195 W CB -1.190 28.297 29.460 0.045 0.000 1.170 195 W HN 0.106 nan 8.180 nan 0.000 0.460 196 R N 1.084 121.756 120.500 0.288 0.000 2.133 196 R HA -0.305 3.999 4.340 -0.060 0.000 0.245 196 R C 2.589 178.824 176.300 -0.109 0.000 1.137 196 R CA 3.051 59.178 56.100 0.045 0.000 0.947 196 R CB -0.887 29.348 30.300 -0.109 0.000 0.865 196 R HN 0.198 nan 8.270 nan 0.000 0.437 197 K N -0.610 119.706 120.400 -0.140 0.000 2.026 197 K HA -0.120 4.165 4.320 -0.060 0.000 0.208 197 K C 1.736 178.197 176.600 -0.232 0.000 1.048 197 K CA 2.049 58.234 56.287 -0.171 0.000 0.929 197 K CB -0.196 32.208 32.500 -0.161 0.000 0.713 197 K HN 0.249 nan 8.250 nan 0.000 0.439 198 T N 1.283 115.595 114.554 -0.403 0.000 2.708 198 T HA -0.113 4.201 4.350 -0.060 0.000 0.266 198 T C 2.024 176.563 174.700 -0.269 0.000 1.037 198 T CA 1.619 63.468 62.100 -0.419 0.000 1.146 198 T CB -0.333 68.151 68.868 -0.640 0.000 0.865 198 T HN 0.048 nan 8.240 nan 0.000 0.435 199 V N 1.730 121.479 119.914 -0.274 0.000 2.392 199 V HA -0.152 3.932 4.120 -0.060 0.000 0.249 199 V C 2.746 178.902 176.094 0.103 0.000 1.059 199 V CA 1.515 63.767 62.300 -0.079 0.000 1.051 199 V CB -0.580 31.221 31.823 -0.038 0.000 0.658 199 V HN 0.415 nan 8.190 nan 0.000 0.455 200 E N -0.030 120.219 120.200 0.082 0.000 2.085 200 E HA -0.265 4.049 4.350 -0.060 0.000 0.194 200 E C 2.240 178.851 176.600 0.019 0.000 0.994 200 E CA 1.494 57.951 56.400 0.095 0.000 0.801 200 E CB -0.129 29.602 29.700 0.053 0.000 0.743 200 E HN 0.741 nan 8.360 nan 0.000 0.453 201 E N 0.221 120.397 120.200 -0.041 0.000 2.106 201 E HA -0.126 4.188 4.350 -0.060 0.000 0.192 201 E C 2.087 178.657 176.600 -0.051 0.000 0.984 201 E CA 0.918 57.282 56.400 -0.059 0.000 0.806 201 E CB 0.283 29.927 29.700 -0.094 0.000 0.750 201 E HN 0.012 nan 8.360 nan 0.000 0.458 202 V N 0.259 120.157 119.914 -0.028 0.000 2.379 202 V HA -0.132 3.952 4.120 -0.060 0.000 0.245 202 V C 2.418 178.450 176.094 -0.103 0.000 1.044 202 V CA 1.657 63.955 62.300 -0.003 0.000 1.036 202 V CB -0.984 30.891 31.823 0.086 0.000 0.664 202 V HN 0.466 nan 8.190 nan 0.000 0.453 203 G N 0.180 108.905 108.800 -0.125 0.000 2.507 203 G HA2 -0.309 3.615 3.960 -0.060 0.000 0.221 203 G HA3 -0.309 3.615 3.960 -0.060 0.000 0.221 203 G C 1.720 176.500 174.900 -0.201 0.000 1.119 203 G CA 0.984 45.894 45.100 -0.316 0.000 0.751 203 G HN 0.454 nan 8.290 nan 0.000 0.574 204 R N -0.151 120.280 120.500 -0.116 0.000 2.127 204 R HA -0.067 4.237 4.340 -0.060 0.000 0.238 204 R C 2.729 178.936 176.300 -0.156 0.000 1.134 204 R CA 1.012 57.050 56.100 -0.104 0.000 0.975 204 R CB -0.404 29.848 30.300 -0.080 0.000 0.865 204 R HN 0.357 nan 8.270 nan 0.000 0.447 205 G N -1.138 107.531 108.800 -0.219 0.000 2.920 205 G HA2 -0.130 3.794 3.960 -0.060 0.000 0.208 205 G HA3 -0.130 3.794 3.960 -0.060 0.000 0.208 205 G C 0.029 174.544 174.900 -0.642 0.000 1.159 205 G CA 0.119 44.985 45.100 -0.389 0.000 0.784 205 G HN 0.277 nan 8.290 nan 0.000 0.535 206 Y N 0.079 120.163 120.300 -0.360 0.000 2.473 206 Y HA 0.276 4.791 4.550 -0.058 0.000 0.345 206 Y C -1.561 174.207 175.900 -0.220 0.000 0.932 206 Y CA -2.044 55.850 58.100 -0.343 0.000 1.124 206 Y CB 1.654 39.730 38.460 -0.639 0.000 1.162 206 Y HN 0.047 nan 8.280 nan 0.000 0.629 207 P HA -0.131 nan 4.420 nan 0.000 0.234 207 P C 0.945 178.252 177.300 0.012 0.000 1.167 207 P CA 1.154 64.241 63.100 -0.022 0.000 0.763 207 P CB 0.541 32.218 31.700 -0.039 0.000 0.835 208 D N 0.092 120.510 120.400 0.029 0.000 2.144 208 D HA -0.087 4.517 4.640 -0.060 0.000 0.199 208 D C 0.326 176.679 176.300 0.088 0.000 0.984 208 D CA 0.799 54.834 54.000 0.058 0.000 0.834 208 D CB -0.050 40.798 40.800 0.080 0.000 0.955 208 D HN -0.055 nan 8.370 nan 0.000 0.465 209 V N 0.868 120.856 119.914 0.123 0.000 2.427 209 V HA 0.608 4.692 4.120 -0.060 0.000 0.286 209 V C 0.301 176.453 176.094 0.097 0.000 1.034 209 V CA -0.878 61.513 62.300 0.152 0.000 0.893 209 V CB 1.174 33.186 31.823 0.315 0.000 0.982 209 V HN 0.235 nan 8.190 nan 0.000 0.452 210 A N 5.263 128.096 122.820 0.022 0.000 2.409 210 A HA 0.649 4.933 4.320 -0.060 0.000 0.262 210 A C -0.686 176.762 177.584 -0.226 0.000 1.113 210 A CA -0.065 51.927 52.037 -0.076 0.000 0.790 210 A CB 0.257 19.225 19.000 -0.053 0.000 1.046 210 A HN 0.830 nan 8.150 nan 0.000 0.496 211 L N 1.728 122.856 121.223 -0.159 0.000 2.365 211 L HA 0.752 5.056 4.340 -0.060 0.000 0.273 211 L C -0.370 176.329 176.870 -0.284 0.000 1.000 211 L CA -0.049 54.666 54.840 -0.209 0.000 0.819 211 L CB 1.821 43.886 42.059 0.011 0.000 1.284 211 L HN 0.824 nan 8.230 nan 0.000 0.418 212 E N 2.385 122.347 120.200 -0.397 0.000 2.356 212 E HA 0.419 4.733 4.350 -0.060 0.000 0.275 212 E C -1.667 174.667 176.600 -0.444 0.000 0.904 212 E CA -0.763 55.460 56.400 -0.295 0.000 0.757 212 E CB 1.423 31.073 29.700 -0.083 0.000 1.232 212 E HN 0.692 nan 8.360 nan 0.000 0.442 213 H N 2.072 121.133 119.070 -0.015 0.000 2.505 213 H HA 0.341 4.859 4.556 -0.063 0.000 0.338 213 H C -0.649 174.599 175.328 -0.133 0.000 1.057 213 H CA -0.843 55.176 56.048 -0.049 0.000 1.202 213 H CB 1.725 31.456 29.762 -0.052 0.000 1.466 213 H HN 0.296 nan 8.280 nan 0.000 0.499 214 Q N 2.393 122.179 119.800 -0.023 0.000 2.356 214 Q HA 0.244 4.549 4.340 -0.060 0.000 0.270 214 Q C -0.792 175.116 176.000 -0.152 0.000 1.058 214 Q CA -0.922 54.823 55.803 -0.096 0.000 0.802 214 Q CB 2.314 31.088 28.738 0.060 0.000 1.303 214 Q HN 0.501 nan 8.270 nan 0.000 0.444 215 Y N 0.161 120.480 120.300 0.032 0.000 2.336 215 Y HA 0.013 4.516 4.550 -0.078 0.000 0.331 215 Y C 1.662 177.467 175.900 -0.158 0.000 1.211 215 Y CA -0.244 57.818 58.100 -0.064 0.000 1.346 215 Y CB 0.222 38.647 38.460 -0.059 0.000 1.271 215 Y HN 0.475 nan 8.280 nan 0.000 0.538 216 V N 2.329 122.151 119.914 -0.153 0.000 2.252 216 V HA -0.313 3.771 4.120 -0.060 0.000 0.249 216 V C 1.801 177.751 176.094 -0.241 0.000 1.056 216 V CA 2.761 64.838 62.300 -0.371 0.000 1.022 216 V CB -0.461 30.764 31.823 -0.996 0.000 0.641 216 V HN 1.047 nan 8.190 nan 0.000 0.445 217 D N 0.771 121.053 120.400 -0.196 0.000 2.149 217 D HA -0.168 4.436 4.640 -0.060 0.000 0.198 217 D C 1.992 178.225 176.300 -0.113 0.000 0.990 217 D CA 1.809 55.725 54.000 -0.141 0.000 0.839 217 D CB -0.620 40.109 40.800 -0.118 0.000 0.948 217 D HN 0.591 nan 8.370 nan 0.000 0.460 218 A N -0.068 122.711 122.820 -0.068 0.000 2.067 218 A HA 0.084 4.368 4.320 -0.060 0.000 0.217 218 A C 2.181 179.618 177.584 -0.246 0.000 1.156 218 A CA 0.986 52.936 52.037 -0.146 0.000 0.683 218 A CB -0.435 18.563 19.000 -0.003 0.000 0.808 218 A HN 0.154 nan 8.150 nan 0.000 0.455 219 M N 0.146 119.690 119.600 -0.092 0.000 2.229 219 M HA 0.036 4.480 4.480 -0.060 0.000 0.264 219 M C 2.095 178.335 176.300 -0.101 0.000 1.063 219 M CA 1.375 56.643 55.300 -0.054 0.000 1.114 219 M CB -0.571 31.963 32.600 -0.111 0.000 1.387 219 M HN 0.384 nan 8.290 nan 0.000 0.420 220 A N -0.324 122.422 122.820 -0.124 0.000 1.930 220 A HA -0.163 4.121 4.320 -0.060 0.000 0.217 220 A C 2.124 179.657 177.584 -0.085 0.000 1.175 220 A CA 1.850 53.829 52.037 -0.096 0.000 0.627 220 A CB -0.662 18.282 19.000 -0.094 0.000 0.815 220 A HN 0.589 nan 8.150 nan 0.000 0.443 221 M N -1.174 118.337 119.600 -0.148 0.000 2.159 221 M HA -0.132 4.312 4.480 -0.060 0.000 0.263 221 M C 2.016 178.274 176.300 -0.071 0.000 1.063 221 M CA 1.301 56.512 55.300 -0.149 0.000 1.110 221 M CB -0.624 31.831 32.600 -0.243 0.000 1.374 221 M HN 0.442 nan 8.290 nan 0.000 0.411 222 H N 0.170 119.289 119.070 0.081 0.000 2.428 222 H HA 0.065 4.617 4.556 -0.007 0.000 0.296 222 H C 2.094 177.553 175.328 0.219 0.000 1.062 222 H CA 1.165 57.326 56.048 0.188 0.000 1.350 222 H CB -0.366 29.628 29.762 0.387 0.000 1.403 222 H HN 0.374 nan 8.280 nan 0.000 0.533 223 L N 0.216 121.562 121.223 0.205 0.000 2.376 223 L HA -0.054 4.250 4.340 -0.060 0.000 0.219 223 L C 2.071 178.997 176.870 0.093 0.000 1.133 223 L CA 0.200 55.117 54.840 0.128 0.000 0.816 223 L CB 0.156 42.212 42.059 -0.006 0.000 0.933 223 L HN 0.040 nan 8.230 nan 0.000 0.449 224 V N -1.134 118.823 119.914 0.072 0.000 3.125 224 V HA -0.035 4.049 4.120 -0.060 0.000 0.249 224 V C 2.324 178.454 176.094 0.060 0.000 1.113 224 V CA 0.894 63.224 62.300 0.049 0.000 1.106 224 V CB -0.055 31.781 31.823 0.022 0.000 0.768 224 V HN 0.329 nan 8.190 nan 0.000 0.468 225 R N 0.943 121.495 120.500 0.087 0.000 2.189 225 R HA 0.055 4.359 4.340 -0.060 0.000 0.203 225 R C 0.617 176.964 176.300 0.079 0.000 1.012 225 R CA 1.109 57.257 56.100 0.079 0.000 1.015 225 R CB 0.493 30.851 30.300 0.098 0.000 0.938 225 R HN 0.576 nan 8.270 nan 0.000 0.472 226 S N -1.489 114.279 115.700 0.113 0.000 2.645 226 S HA 0.221 4.655 4.470 -0.060 0.000 0.168 226 S C -2.338 172.319 174.600 0.095 0.000 0.988 226 S CA -0.995 57.238 58.200 0.055 0.000 1.132 226 S CB 1.287 64.479 63.200 -0.013 0.000 1.691 226 S HN 0.008 nan 8.310 nan 0.000 0.457 227 P HA -0.022 nan 4.420 nan 0.000 0.220 227 P C 1.553 178.955 177.300 0.169 0.000 1.148 227 P CA 1.436 64.688 63.100 0.254 0.000 0.803 227 P CB -0.127 31.660 31.700 0.144 0.000 0.782 228 A N 0.131 122.965 122.820 0.024 0.000 2.172 228 A HA -0.127 4.157 4.320 -0.060 0.000 0.216 228 A C 2.303 179.803 177.584 -0.141 0.000 1.154 228 A CA 0.703 52.717 52.037 -0.038 0.000 0.701 228 A CB -1.104 17.868 19.000 -0.047 0.000 0.789 228 A HN -0.012 nan 8.150 nan 0.000 0.465 229 R N -1.168 119.151 120.500 -0.302 0.000 2.280 229 R HA 0.049 4.353 4.340 -0.060 0.000 0.207 229 R C -0.823 175.048 176.300 -0.714 0.000 1.043 229 R CA 0.325 56.082 56.100 -0.572 0.000 1.006 229 R CB -0.148 29.686 30.300 -0.777 0.000 0.885 229 R HN 0.449 nan 8.270 nan 0.000 0.467 230 F N -1.253 118.622 119.950 -0.126 0.000 2.483 230 F HA 0.195 4.682 4.527 -0.068 0.000 0.329 230 F C 1.058 176.814 175.800 -0.074 0.000 1.064 230 F CA -0.997 56.938 58.000 -0.108 0.000 0.986 230 F CB 1.350 40.320 39.000 -0.051 0.000 1.218 230 F HN -0.166 nan 8.300 nan 0.000 0.484 231 D N -0.006 120.502 120.400 0.179 0.000 3.136 231 D HA 0.191 4.795 4.640 -0.060 0.000 0.254 231 D C -0.792 175.572 176.300 0.106 0.000 1.563 231 D CA 0.672 54.739 54.000 0.112 0.000 1.225 231 D CB 0.295 41.155 40.800 0.100 0.000 1.079 231 D HN 0.096 nan 8.370 nan 0.000 0.314 232 V N 1.476 121.453 119.914 0.105 0.000 2.483 232 V HA 0.603 4.687 4.120 -0.060 0.000 0.295 232 V C -0.369 175.734 176.094 0.016 0.000 1.035 232 V CA -0.789 61.531 62.300 0.033 0.000 0.896 232 V CB 1.870 33.682 31.823 -0.018 0.000 0.986 232 V HN 0.140 nan 8.190 nan 0.000 0.447 233 V N 4.812 124.707 119.914 -0.032 0.000 2.638 233 V HA 0.590 4.674 4.120 -0.060 0.000 0.306 233 V C -0.555 175.505 176.094 -0.058 0.000 1.052 233 V CA -0.600 61.659 62.300 -0.067 0.000 0.885 233 V CB 2.081 33.822 31.823 -0.135 0.000 0.999 233 V HN 0.618 nan 8.190 nan 0.000 0.424 234 V N 4.412 124.304 119.914 -0.037 0.000 2.735 234 V HA 0.944 5.029 4.120 -0.060 0.000 0.310 234 V C -0.384 175.775 176.094 0.108 0.000 1.061 234 V CA 0.306 62.628 62.300 0.036 0.000 0.913 234 V CB 2.410 34.245 31.823 0.019 0.000 1.005 234 V HN 1.089 nan 8.190 nan 0.000 0.428 235 T N 2.999 117.616 114.554 0.104 0.000 2.718 235 T HA 0.597 4.911 4.350 -0.060 0.000 0.306 235 T C 0.133 174.658 174.700 -0.291 0.000 1.485 235 T CA 0.216 62.216 62.100 -0.166 0.000 0.997 235 T CB 1.124 69.916 68.868 -0.127 0.000 1.504 235 T HN 1.246 nan 8.240 nan 0.000 0.497 236 G N 1.126 109.453 108.800 -0.788 0.000 2.525 236 G HA2 0.200 4.124 3.960 -0.060 0.000 0.276 236 G HA3 0.200 4.124 3.960 -0.060 0.000 0.276 236 G C 0.886 175.687 174.900 -0.164 0.000 1.388 236 G CA 0.037 44.835 45.100 -0.505 0.000 1.050 236 G HN 0.675 nan 8.290 nan 0.000 0.520 237 N N -0.945 117.715 118.700 -0.067 0.000 2.148 237 N HA -0.031 4.673 4.740 -0.060 0.000 0.186 237 N C 2.257 177.575 175.510 -0.320 0.000 1.031 237 N CA 0.858 53.831 53.050 -0.128 0.000 0.848 237 N CB -0.191 38.221 38.487 -0.124 0.000 1.005 237 N HN 0.465 nan 8.380 nan 0.000 0.427 238 I N -0.053 120.173 120.570 -0.572 0.000 2.286 238 I HA -0.196 3.938 4.170 -0.060 0.000 0.245 238 I C 1.363 177.458 176.117 -0.035 0.000 1.104 238 I CA 0.906 61.931 61.300 -0.459 0.000 1.397 238 I CB -0.101 37.596 38.000 -0.505 0.000 1.072 238 I HN -0.075 nan 8.210 nan 0.000 0.417 239 F N 1.238 121.091 119.950 -0.160 0.000 2.171 239 F HA -0.038 4.472 4.527 -0.029 0.000 0.300 239 F C 2.591 178.325 175.800 -0.110 0.000 1.090 239 F CA 0.933 58.853 58.000 -0.134 0.000 1.293 239 F CB -1.940 36.947 39.000 -0.188 0.000 1.013 239 F HN 0.099 nan 8.300 nan 0.000 0.486 240 G N -0.479 108.363 108.800 0.071 0.000 2.418 240 G HA2 -0.286 3.638 3.960 -0.060 0.000 0.217 240 G HA3 -0.286 3.638 3.960 -0.060 0.000 0.217 240 G C 1.489 176.416 174.900 0.045 0.000 1.158 240 G CA 1.085 46.203 45.100 0.031 0.000 0.771 240 G HN 0.298 nan 8.290 nan 0.000 0.545 241 D N 0.874 121.312 120.400 0.064 0.000 2.103 241 D HA -0.128 4.476 4.640 -0.060 0.000 0.190 241 D C 2.553 178.901 176.300 0.079 0.000 0.997 241 D CA 0.927 54.987 54.000 0.100 0.000 0.833 241 D CB -0.368 40.546 40.800 0.190 0.000 0.961 241 D HN 0.352 nan 8.370 nan 0.000 0.447 242 I N -0.070 120.552 120.570 0.087 0.000 2.163 242 I HA -0.267 3.867 4.170 -0.060 0.000 0.243 242 I C 2.427 178.559 176.117 0.025 0.000 1.085 242 I CA 0.886 62.224 61.300 0.062 0.000 1.347 242 I CB -0.159 37.883 38.000 0.071 0.000 1.044 242 I HN 0.093 nan 8.210 nan 0.000 0.408 243 L N -0.265 120.965 121.223 0.013 0.000 2.307 243 L HA -0.054 4.250 4.340 -0.060 0.000 0.211 243 L C 2.673 179.529 176.870 -0.024 0.000 1.099 243 L CA 0.940 55.764 54.840 -0.026 0.000 0.816 243 L CB -0.423 41.599 42.059 -0.062 0.000 0.952 243 L HN 0.320 nan 8.230 nan 0.000 0.455 244 S N -0.808 114.889 115.700 -0.004 0.000 2.395 244 S HA -0.151 4.284 4.470 -0.060 0.000 0.225 244 S C 1.533 176.138 174.600 0.009 0.000 1.027 244 S CA 0.935 59.134 58.200 -0.001 0.000 0.965 244 S CB -0.201 63.002 63.200 0.006 0.000 0.812 244 S HN 0.300 nan 8.310 nan 0.000 0.482 245 D N 1.592 122.003 120.400 0.018 0.000 2.149 245 D HA -0.067 4.537 4.640 -0.060 0.000 0.198 245 D C 1.871 178.178 176.300 0.012 0.000 0.990 245 D CA 1.016 55.028 54.000 0.020 0.000 0.839 245 D CB -0.549 40.267 40.800 0.026 0.000 0.948 245 D HN 0.391 nan 8.370 nan 0.000 0.460 246 L N 1.025 122.250 121.223 0.003 0.000 1.994 246 L HA -0.043 4.261 4.340 -0.060 0.000 0.208 246 L C 2.086 178.955 176.870 -0.002 0.000 1.071 246 L CA 1.930 56.768 54.840 -0.003 0.000 0.745 246 L CB -1.048 41.002 42.059 -0.016 0.000 0.892 246 L HN -0.011 nan 8.230 nan 0.000 0.431 247 A N -1.017 121.798 122.820 -0.009 0.000 2.019 247 A HA -0.180 4.104 4.320 -0.060 0.000 0.219 247 A C 2.444 180.033 177.584 0.007 0.000 1.164 247 A CA 1.736 53.770 52.037 -0.006 0.000 0.644 247 A CB -1.016 17.972 19.000 -0.020 0.000 0.805 247 A HN 0.691 nan 8.150 nan 0.000 0.449 248 S N -0.024 115.684 115.700 0.012 0.000 2.453 248 S HA -0.081 4.353 4.470 -0.060 0.000 0.231 248 S C 1.674 176.289 174.600 0.026 0.000 1.005 248 S CA 1.252 59.466 58.200 0.023 0.000 0.949 248 S CB -0.851 62.365 63.200 0.027 0.000 0.774 248 S HN 1.076 nan 8.310 nan 0.000 0.510 249 V N -0.399 119.527 119.914 0.020 0.000 3.235 249 V HA 0.253 4.337 4.120 -0.060 0.000 0.259 249 V C 2.035 178.141 176.094 0.021 0.000 1.133 249 V CA 0.623 62.936 62.300 0.021 0.000 1.128 249 V CB -0.986 30.847 31.823 0.017 0.000 0.757 249 V HN 0.485 nan 8.190 nan 0.000 0.469 250 L N 0.173 121.408 121.223 0.019 0.000 2.083 250 L HA -0.018 4.286 4.340 -0.060 0.000 0.209 250 L C 0.140 177.023 176.870 0.022 0.000 1.083 250 L CA 1.674 56.525 54.840 0.019 0.000 0.752 250 L CB -2.003 40.067 42.059 0.017 0.000 0.899 250 L HN 0.371 nan 8.230 nan 0.000 0.433 251 P HA -0.069 nan 4.420 nan 0.000 0.219 251 P C 1.049 178.377 177.300 0.047 0.000 1.150 251 P CA 1.757 64.882 63.100 0.041 0.000 0.814 251 P CB 0.086 31.820 31.700 0.057 0.000 0.787 252 G N -1.830 106.992 108.800 0.038 0.000 2.157 252 G HA2 -0.180 3.744 3.960 -0.060 0.000 0.239 252 G HA3 -0.180 3.744 3.960 -0.060 0.000 0.239 252 G C 0.181 175.098 174.900 0.028 0.000 0.982 252 G CA 0.095 45.214 45.100 0.031 0.000 0.650 252 G HN 0.626 nan 8.290 nan 0.000 0.527 253 S N -0.979 114.742 115.700 0.035 0.000 2.614 253 S HA 0.547 4.981 4.470 -0.060 0.000 0.275 253 S C 0.828 175.451 174.600 0.037 0.000 1.161 253 S CA 0.101 58.316 58.200 0.024 0.000 0.969 253 S CB 1.251 64.457 63.200 0.010 0.000 1.059 253 S HN 0.990 nan 8.310 nan 0.000 0.482 254 L N 5.640 126.883 121.223 0.032 0.000 2.079 254 L HA 0.160 4.464 4.340 -0.060 0.000 0.210 254 L C 2.265 179.184 176.870 0.081 0.000 1.081 254 L CA 2.724 57.600 54.840 0.059 0.000 0.752 254 L CB -0.875 41.217 42.059 0.054 0.000 0.896 254 L HN 0.916 nan 8.230 nan 0.000 0.433 255 G N -1.169 107.637 108.800 0.011 0.000 2.653 255 G HA2 -0.134 3.790 3.960 -0.060 0.000 0.212 255 G HA3 -0.134 3.790 3.960 -0.060 0.000 0.212 255 G C 1.232 176.171 174.900 0.065 0.000 1.138 255 G CA 0.570 45.660 45.100 -0.016 0.000 0.782 255 G HN 0.465 nan 8.290 nan 0.000 0.535 256 L N -0.365 120.916 121.223 0.096 0.000 2.640 256 L HA 0.395 4.699 4.340 -0.060 0.000 0.230 256 L C 0.232 177.201 176.870 0.165 0.000 1.123 256 L CA -0.093 54.830 54.840 0.137 0.000 0.900 256 L CB 0.315 42.471 42.059 0.161 0.000 1.146 256 L HN 0.036 nan 8.230 nan 0.000 0.484 257 L N 2.803 124.118 121.223 0.154 0.000 2.276 257 L HA 0.448 4.752 4.340 -0.060 0.000 0.286 257 L C -2.362 174.572 176.870 0.106 0.000 1.024 257 L CA -1.650 53.264 54.840 0.123 0.000 0.826 257 L CB 1.336 43.453 42.059 0.096 0.000 1.211 257 L HN -0.187 nan 8.230 nan 0.000 0.422 258 P HA 0.286 nan 4.420 nan 0.000 0.287 258 P C -1.066 176.278 177.300 0.075 0.000 1.270 258 P CA -0.595 62.562 63.100 0.095 0.000 0.844 258 P CB 2.160 33.936 31.700 0.127 0.000 1.068 259 S N 0.636 116.374 115.700 0.063 0.000 2.536 259 S HA 0.793 5.227 4.470 -0.060 0.000 0.287 259 S C -1.305 173.312 174.600 0.030 0.000 1.101 259 S CA -0.662 57.556 58.200 0.029 0.000 0.950 259 S CB 0.991 64.183 63.200 -0.012 0.000 1.056 259 S HN 0.622 nan 8.310 nan 0.000 0.481 260 A N 2.476 125.277 122.820 -0.031 0.000 2.401 260 A HA 0.854 5.138 4.320 -0.060 0.000 0.310 260 A C -0.601 176.802 177.584 -0.301 0.000 1.075 260 A CA -0.724 51.199 52.037 -0.191 0.000 0.746 260 A CB 1.849 20.842 19.000 -0.012 0.000 1.277 260 A HN 0.824 nan 8.150 nan 0.000 0.425 261 S N 1.342 116.764 115.700 -0.463 0.000 2.756 261 S HA 0.584 5.018 4.470 -0.060 0.000 0.303 261 S C -0.648 173.682 174.600 -0.449 0.000 1.135 261 S CA -0.358 57.617 58.200 -0.375 0.000 1.066 261 S CB 0.480 63.505 63.200 -0.291 0.000 1.008 261 S HN 0.570 nan 8.310 nan 0.000 0.482 262 L N 2.145 123.103 121.223 -0.441 0.000 2.313 262 L HA 1.008 5.313 4.340 -0.060 0.000 0.268 262 L C 0.840 177.293 176.870 -0.694 0.000 1.010 262 L CA -0.720 53.838 54.840 -0.470 0.000 0.814 262 L CB 1.754 43.579 42.059 -0.390 0.000 1.304 262 L HN 0.825 nan 8.230 nan 0.000 0.441 263 G N -0.055 108.372 108.800 -0.623 0.000 2.452 263 G HA2 0.029 3.953 3.960 -0.060 0.000 0.224 263 G HA3 0.029 3.953 3.960 -0.060 0.000 0.224 263 G C -0.220 174.589 174.900 -0.151 0.000 1.208 263 G CA -0.442 44.257 45.100 -0.670 0.000 0.946 263 G HN 0.404 nan 8.290 nan 0.000 0.481 264 R N 0.511 121.018 120.500 0.011 0.000 2.075 264 R HA 0.130 4.434 4.340 -0.060 0.000 0.226 264 R C 1.602 177.902 176.300 -0.001 0.000 1.114 264 R CA 2.128 58.266 56.100 0.063 0.000 0.972 264 R CB -0.802 29.549 30.300 0.086 0.000 0.869 264 R HN 0.647 nan 8.270 nan 0.000 0.437 265 G N -0.700 108.077 108.800 -0.037 0.000 3.022 265 G HA2 0.121 4.045 3.960 -0.060 0.000 0.157 265 G HA3 0.121 4.045 3.960 -0.060 0.000 0.157 265 G C -0.845 174.014 174.900 -0.068 0.000 1.468 265 G CA -0.279 44.795 45.100 -0.042 0.000 1.058 265 G HN 0.175 nan 8.290 nan 0.000 0.581 266 T N 3.301 117.811 114.554 -0.073 0.000 2.729 266 T HA 0.428 4.743 4.350 -0.060 0.000 0.296 266 T C -2.210 172.406 174.700 -0.140 0.000 0.928 266 T CA -0.671 61.382 62.100 -0.079 0.000 1.045 266 T CB 1.493 70.332 68.868 -0.050 0.000 0.902 266 T HN 0.215 nan 8.240 nan 0.000 0.500 267 P HA 0.199 nan 4.420 nan 0.000 0.269 267 P C -0.916 176.118 177.300 -0.443 0.000 1.215 267 P CA -0.299 62.606 63.100 -0.325 0.000 0.780 267 P CB 0.627 32.170 31.700 -0.261 0.000 0.898 268 V N 3.128 122.619 119.914 -0.705 0.000 2.483 268 V HA 0.380 4.464 4.120 -0.060 0.000 0.297 268 V C -0.384 175.216 176.094 -0.823 0.000 1.027 268 V CA -0.312 61.644 62.300 -0.574 0.000 0.855 268 V CB 0.876 32.489 31.823 -0.349 0.000 0.995 268 V HN 0.315 nan 8.190 nan 0.000 0.424 269 F N 3.462 123.373 119.950 -0.065 0.000 2.467 269 F HA 0.754 5.245 4.527 -0.060 0.000 0.336 269 F C 0.300 176.074 175.800 -0.043 0.000 1.123 269 F CA -0.490 57.487 58.000 -0.038 0.000 0.964 269 F CB 1.766 40.766 39.000 -0.001 0.000 1.136 269 F HN 0.657 nan 8.300 nan 0.000 0.447 270 E N 3.155 123.405 120.200 0.084 0.000 2.390 270 E HA 0.498 4.812 4.350 -0.060 0.000 0.280 270 E C -3.378 173.207 176.600 -0.024 0.000 0.992 270 E CA -2.548 53.855 56.400 0.004 0.000 0.790 270 E CB 2.747 32.416 29.700 -0.052 0.000 1.248 270 E HN 0.114 nan 8.360 nan 0.000 0.447 271 P HA 0.001 nan 4.420 nan 0.000 0.275 271 P C 0.872 178.044 177.300 -0.213 0.000 1.228 271 P CA -0.431 62.542 63.100 -0.212 0.000 0.786 271 P CB 1.330 32.679 31.700 -0.585 0.000 0.927 272 V N 1.802 121.657 119.914 -0.098 0.000 2.343 272 V HA -0.192 3.893 4.120 -0.060 0.000 0.247 272 V C 1.410 177.484 176.094 -0.034 0.000 1.051 272 V CA 1.842 64.121 62.300 -0.036 0.000 1.036 272 V CB -1.846 29.996 31.823 0.031 0.000 0.654 272 V HN 0.770 nan 8.190 nan 0.000 0.451 273 H N -0.303 118.788 119.070 0.035 0.000 2.822 273 H HA 0.452 4.972 4.556 -0.060 0.000 0.373 273 H C 0.528 175.877 175.328 0.035 0.000 1.223 273 H CA 0.167 56.234 56.048 0.032 0.000 1.436 273 H CB 0.039 29.819 29.762 0.028 0.000 1.439 273 H HN 0.170 nan 8.280 nan 0.000 0.618 274 G N -0.733 108.206 108.800 0.232 0.000 2.532 274 G HA2 0.251 4.176 3.960 -0.060 0.000 0.291 274 G HA3 0.251 4.176 3.960 -0.060 0.000 0.291 274 G C 0.830 175.866 174.900 0.226 0.000 1.349 274 G CA -0.411 44.785 45.100 0.161 0.000 1.038 274 G HN 0.891 nan 8.290 nan 0.000 0.518 275 S N -1.137 114.653 115.700 0.150 0.000 2.547 275 S HA 0.218 4.652 4.470 -0.060 0.000 0.235 275 S C 1.566 176.246 174.600 0.133 0.000 0.980 275 S CA 1.122 59.412 58.200 0.150 0.000 0.941 275 S CB -0.594 62.689 63.200 0.139 0.000 0.763 275 S HN 2.206 nan 8.310 nan 0.000 0.532 276 A N 2.436 125.323 122.820 0.111 0.000 2.046 276 A HA -0.094 4.190 4.320 -0.060 0.000 0.265 276 A C -0.613 177.005 177.584 0.056 0.000 1.343 276 A CA 0.595 52.670 52.037 0.064 0.000 0.749 276 A CB -1.357 17.658 19.000 0.025 0.000 1.171 276 A HN 0.606 nan 8.150 nan 0.000 0.316 277 P HA -0.067 nan 4.420 nan 0.000 0.236 277 P C 0.700 178.013 177.300 0.022 0.000 1.177 277 P CA 1.199 64.328 63.100 0.048 0.000 0.773 277 P CB -0.106 31.624 31.700 0.050 0.000 0.878 278 D N 1.409 121.819 120.400 0.016 0.000 2.144 278 D HA -0.147 4.457 4.640 -0.060 0.000 0.200 278 D C 1.624 177.924 176.300 0.000 0.000 0.978 278 D CA 0.895 54.898 54.000 0.004 0.000 0.833 278 D CB -1.062 39.739 40.800 0.002 0.000 0.961 278 D HN 0.338 nan 8.370 nan 0.000 0.470 279 I N -3.024 117.546 120.570 0.000 0.000 3.877 279 I HA 0.512 4.646 4.170 -0.060 0.000 0.332 279 I C 0.227 176.346 176.117 0.004 0.000 1.525 279 I CA -1.005 60.292 61.300 -0.005 0.000 1.146 279 I CB 0.319 38.307 38.000 -0.019 0.000 1.137 279 I HN -0.037 nan 8.210 nan 0.000 0.424 280 A N 1.653 124.483 122.820 0.016 0.000 2.491 280 A HA 0.494 4.778 4.320 -0.060 0.000 0.261 280 A C 1.514 179.113 177.584 0.026 0.000 1.101 280 A CA 0.548 52.603 52.037 0.030 0.000 0.772 280 A CB -0.733 18.295 19.000 0.047 0.000 1.043 280 A HN 1.260 nan 8.150 nan 0.000 0.501 281 G N 2.312 111.129 108.800 0.029 0.000 2.160 281 G HA2 -0.271 3.653 3.960 -0.060 0.000 0.251 281 G HA3 -0.271 3.653 3.960 -0.060 0.000 0.251 281 G C 0.643 175.554 174.900 0.018 0.000 1.008 281 G CA 0.828 45.944 45.100 0.027 0.000 0.724 281 G HN 0.811 nan 8.290 nan 0.000 0.514 282 K N -0.165 120.242 120.400 0.011 0.000 2.404 282 K HA 0.393 4.677 4.320 -0.060 0.000 0.194 282 K C 1.803 178.407 176.600 0.006 0.000 1.023 282 K CA 0.443 56.734 56.287 0.006 0.000 1.094 282 K CB 0.146 32.646 32.500 -0.000 0.000 0.841 282 K HN 1.284 nan 8.250 nan 0.000 0.523 283 G N 2.361 111.168 108.800 0.011 0.000 2.198 283 G HA2 -0.238 3.686 3.960 -0.060 0.000 0.257 283 G HA3 -0.238 3.686 3.960 -0.060 0.000 0.257 283 G C 0.502 175.406 174.900 0.006 0.000 1.042 283 G CA 0.696 45.804 45.100 0.014 0.000 0.791 283 G HN 0.513 nan 8.290 nan 0.000 0.502 284 I N -3.918 116.648 120.570 -0.007 0.000 4.592 284 I HA 0.721 4.855 4.170 -0.060 0.000 0.329 284 I C 1.305 177.390 176.117 -0.053 0.000 1.309 284 I CA 0.244 61.529 61.300 -0.026 0.000 1.243 284 I CB 0.244 38.228 38.000 -0.027 0.000 1.241 284 I HN 0.479 nan 8.210 nan 0.000 0.434 285 A N 3.132 125.923 122.820 -0.047 0.000 2.567 285 A HA 0.027 4.311 4.320 -0.060 0.000 0.240 285 A C 0.099 177.624 177.584 -0.098 0.000 1.053 285 A CA 0.340 52.329 52.037 -0.080 0.000 0.755 285 A CB -0.365 18.604 19.000 -0.052 0.000 0.978 285 A HN 0.578 nan 8.150 nan 0.000 0.507 286 N N 3.477 122.080 118.700 -0.161 0.000 2.411 286 N HA 0.242 4.946 4.740 -0.060 0.000 0.259 286 N C -1.596 173.845 175.510 -0.116 0.000 1.103 286 N CA -2.084 50.837 53.050 -0.215 0.000 0.954 286 N CB 1.077 39.410 38.487 -0.255 0.000 1.085 286 N HN 0.344 nan 8.380 nan 0.000 0.485 287 P HA 0.064 nan 4.420 nan 0.000 0.255 287 P C 0.851 178.237 177.300 0.143 0.000 1.248 287 P CA 0.247 63.404 63.100 0.096 0.000 0.807 287 P CB 0.336 32.128 31.700 0.154 0.000 1.150 288 T N 0.991 115.603 114.554 0.097 0.000 2.649 288 T HA -0.235 4.079 4.350 -0.060 0.000 0.268 288 T C 1.955 176.746 174.700 0.151 0.000 1.036 288 T CA 2.347 64.535 62.100 0.148 0.000 1.157 288 T CB -0.761 68.134 68.868 0.045 0.000 0.861 288 T HN 0.148 nan 8.240 nan 0.000 0.445 289 A N 0.910 123.827 122.820 0.162 0.000 1.933 289 A HA 0.139 4.423 4.320 -0.060 0.000 0.218 289 A C 2.553 180.222 177.584 0.142 0.000 1.175 289 A CA 1.963 54.108 52.037 0.180 0.000 0.628 289 A CB -0.882 18.278 19.000 0.267 0.000 0.814 289 A HN 0.552 nan 8.150 nan 0.000 0.444 290 A N -0.523 122.386 122.820 0.148 0.000 1.935 290 A HA 0.148 4.433 4.320 -0.060 0.000 0.214 290 A C 2.059 179.698 177.584 0.091 0.000 1.178 290 A CA 1.071 53.172 52.037 0.106 0.000 0.640 290 A CB -0.437 18.629 19.000 0.109 0.000 0.825 290 A HN 0.444 nan 8.150 nan 0.000 0.447 291 I N 0.002 120.633 120.570 0.103 0.000 2.202 291 I HA -0.226 3.908 4.170 -0.060 0.000 0.242 291 I C 2.186 178.350 176.117 0.077 0.000 1.091 291 I CA 1.031 62.379 61.300 0.081 0.000 1.368 291 I CB -0.253 37.807 38.000 0.100 0.000 1.058 291 I HN 0.249 nan 8.210 nan 0.000 0.410 292 L N -0.200 121.088 121.223 0.108 0.000 2.265 292 L HA -0.163 4.141 4.340 -0.060 0.000 0.215 292 L C 2.543 179.476 176.870 0.105 0.000 1.117 292 L CA 0.922 55.832 54.840 0.118 0.000 0.782 292 L CB -0.555 41.603 42.059 0.165 0.000 0.914 292 L HN 0.223 nan 8.230 nan 0.000 0.441 293 S N 0.012 115.775 115.700 0.105 0.000 2.383 293 S HA -0.092 4.343 4.470 -0.060 0.000 0.227 293 S C 2.212 176.839 174.600 0.044 0.000 1.026 293 S CA 1.076 59.350 58.200 0.123 0.000 0.981 293 S CB -0.060 63.222 63.200 0.136 0.000 0.818 293 S HN 0.505 nan 8.310 nan 0.000 0.472 294 A N 1.800 124.629 122.820 0.015 0.000 1.898 294 A HA 0.126 4.410 4.320 -0.060 0.000 0.216 294 A C 2.361 179.898 177.584 -0.080 0.000 1.181 294 A CA 1.653 53.662 52.037 -0.046 0.000 0.620 294 A CB -1.202 17.785 19.000 -0.022 0.000 0.819 294 A HN 0.493 nan 8.150 nan 0.000 0.442 295 A N -0.103 122.701 122.820 -0.027 0.000 1.869 295 A HA -0.268 4.016 4.320 -0.060 0.000 0.218 295 A C 2.287 179.833 177.584 -0.064 0.000 1.203 295 A CA 2.236 54.260 52.037 -0.022 0.000 0.638 295 A CB -0.739 18.278 19.000 0.028 0.000 0.831 295 A HN 0.542 nan 8.150 nan 0.000 0.450 296 M N -1.553 118.029 119.600 -0.030 0.000 2.108 296 M HA -0.243 4.202 4.480 -0.060 0.000 0.257 296 M C 2.511 178.589 176.300 -0.369 0.000 1.071 296 M CA 2.354 57.660 55.300 0.009 0.000 1.093 296 M CB -0.509 32.235 32.600 0.240 0.000 1.345 296 M HN 0.672 nan 8.290 nan 0.000 0.403 297 M N 0.529 119.593 119.600 -0.893 0.000 2.149 297 M HA -0.219 4.225 4.480 -0.060 0.000 0.261 297 M C 1.903 177.954 176.300 -0.415 0.000 1.064 297 M CA 1.692 56.117 55.300 -1.458 0.000 1.102 297 M CB -0.071 31.940 32.600 -0.982 0.000 1.369 297 M HN 0.229 nan 8.290 nan 0.000 0.408 298 L N 0.045 121.181 121.223 -0.144 0.000 2.027 298 L HA -0.209 4.095 4.340 -0.060 0.000 0.206 298 L C 2.556 179.429 176.870 0.006 0.000 1.074 298 L CA 1.975 56.847 54.840 0.054 0.000 0.745 298 L CB -0.795 41.264 42.059 -0.001 0.000 0.898 298 L HN 0.440 nan 8.230 nan 0.000 0.433 299 E N -0.583 119.548 120.200 -0.115 0.000 2.107 299 E HA -0.210 4.104 4.350 -0.060 0.000 0.191 299 E C 1.851 178.290 176.600 -0.269 0.000 0.982 299 E CA 1.329 57.600 56.400 -0.214 0.000 0.809 299 E CB 0.018 29.517 29.700 -0.336 0.000 0.756 299 E HN 0.613 nan 8.360 nan 0.000 0.459 300 H N -1.239 117.822 119.070 -0.015 0.000 2.553 300 H HA 0.334 4.854 4.556 -0.060 0.000 0.276 300 H C 1.464 176.787 175.328 -0.008 0.000 0.979 300 H CA 0.750 56.824 56.048 0.045 0.000 1.268 300 H CB 0.744 30.616 29.762 0.183 0.000 1.450 300 H HN 0.258 nan 8.280 nan 0.000 0.527 301 A N -0.536 122.243 122.820 -0.068 0.000 2.197 301 A HA 0.160 4.444 4.320 -0.060 0.000 0.210 301 A C 0.596 177.747 177.584 -0.721 0.000 1.180 301 A CA 0.340 52.126 52.037 -0.419 0.000 0.846 301 A CB 0.156 18.781 19.000 -0.624 0.000 0.884 301 A HN 0.282 nan 8.150 nan 0.000 0.487 302 F N -2.027 117.931 119.950 0.015 0.000 2.871 302 F HA 0.388 4.879 4.527 -0.060 0.000 0.344 302 F C 1.709 177.507 175.800 -0.004 0.000 1.078 302 F CA 0.094 58.095 58.000 0.003 0.000 1.149 302 F CB 0.597 39.586 39.000 -0.018 0.000 1.087 302 F HN 0.282 nan 8.300 nan 0.000 0.557 303 G N 1.011 109.877 108.800 0.111 0.000 2.205 303 G HA2 -0.303 3.621 3.960 -0.060 0.000 0.261 303 G HA3 -0.303 3.621 3.960 -0.060 0.000 0.261 303 G C 0.420 175.348 174.900 0.046 0.000 0.980 303 G CA 0.161 45.300 45.100 0.064 0.000 0.632 303 G HN 0.266 nan 8.290 nan 0.000 0.533 304 L N 1.956 123.217 121.223 0.062 0.000 2.437 304 L HA 0.279 4.584 4.340 -0.060 0.000 0.243 304 L C 2.067 178.935 176.870 -0.004 0.000 1.346 304 L CA -0.666 54.192 54.840 0.029 0.000 1.233 304 L CB 0.322 42.399 42.059 0.031 0.000 1.436 304 L HN 0.037 nan 8.230 nan 0.000 0.416 305 V N 0.172 120.077 119.914 -0.015 0.000 2.407 305 V HA -0.221 3.863 4.120 -0.060 0.000 0.248 305 V C 2.479 178.563 176.094 -0.017 0.000 1.055 305 V CA 1.703 63.984 62.300 -0.032 0.000 1.049 305 V CB -0.141 31.664 31.823 -0.030 0.000 0.662 305 V HN 0.661 nan 8.190 nan 0.000 0.455 306 E N 0.280 120.477 120.200 -0.006 0.000 2.106 306 E HA -0.143 4.171 4.350 -0.060 0.000 0.192 306 E C 2.054 178.652 176.600 -0.003 0.000 0.984 306 E CA 1.226 57.625 56.400 -0.002 0.000 0.806 306 E CB -0.396 29.305 29.700 0.001 0.000 0.750 306 E HN 0.535 nan 8.360 nan 0.000 0.458 307 L N -0.349 120.870 121.223 -0.006 0.000 2.046 307 L HA -0.155 4.149 4.340 -0.060 0.000 0.208 307 L C 2.368 179.233 176.870 -0.009 0.000 1.077 307 L CA 1.236 56.071 54.840 -0.009 0.000 0.747 307 L CB -0.440 41.611 42.059 -0.014 0.000 0.896 307 L HN 0.174 nan 8.230 nan 0.000 0.432 308 A N -0.474 122.338 122.820 -0.013 0.000 1.930 308 A HA -0.152 4.132 4.320 -0.060 0.000 0.217 308 A C 2.301 179.889 177.584 0.006 0.000 1.175 308 A CA 1.024 53.053 52.037 -0.012 0.000 0.627 308 A CB -0.345 18.636 19.000 -0.033 0.000 0.815 308 A HN 0.255 nan 8.150 nan 0.000 0.443 309 R N 0.095 120.599 120.500 0.007 0.000 2.120 309 R HA -0.070 4.234 4.340 -0.060 0.000 0.234 309 R C 1.890 178.203 176.300 0.021 0.000 1.123 309 R CA 1.371 57.483 56.100 0.021 0.000 0.975 309 R CB -0.402 29.907 30.300 0.015 0.000 0.866 309 R HN 0.577 nan 8.270 nan 0.000 0.446 310 K N 0.243 120.649 120.400 0.010 0.000 2.025 310 K HA -0.060 4.224 4.320 -0.060 0.000 0.207 310 K C 2.145 178.748 176.600 0.004 0.000 1.049 310 K CA 1.213 57.504 56.287 0.006 0.000 0.933 310 K CB -0.115 32.385 32.500 0.001 0.000 0.714 310 K HN -0.071 nan 8.250 nan 0.000 0.438 311 V N 1.559 121.476 119.914 0.005 0.000 2.287 311 V HA -0.277 3.807 4.120 -0.060 0.000 0.248 311 V C 2.055 178.160 176.094 0.018 0.000 1.053 311 V CA 1.872 64.175 62.300 0.005 0.000 1.027 311 V CB -0.490 31.336 31.823 0.006 0.000 0.646 311 V HN 0.335 nan 8.190 nan 0.000 0.447 312 E N -0.015 120.215 120.200 0.050 0.000 2.049 312 E HA -0.311 4.003 4.350 -0.060 0.000 0.198 312 E C 2.020 178.663 176.600 0.072 0.000 1.007 312 E CA 1.992 58.455 56.400 0.105 0.000 0.809 312 E CB -0.236 29.546 29.700 0.137 0.000 0.749 312 E HN 0.658 nan 8.360 nan 0.000 0.450 313 D N -0.709 119.714 120.400 0.038 0.000 2.144 313 D HA -0.093 4.511 4.640 -0.060 0.000 0.200 313 D C 1.767 178.018 176.300 -0.081 0.000 0.978 313 D CA 1.297 55.296 54.000 -0.001 0.000 0.833 313 D CB -0.104 40.696 40.800 -0.001 0.000 0.961 313 D HN 0.220 nan 8.370 nan 0.000 0.470 314 A N -0.168 122.613 122.820 -0.066 0.000 1.883 314 A HA -0.153 4.131 4.320 -0.060 0.000 0.217 314 A C 2.482 179.970 177.584 -0.160 0.000 1.186 314 A CA 1.670 53.653 52.037 -0.091 0.000 0.624 314 A CB -0.884 18.096 19.000 -0.033 0.000 0.822 314 A HN 0.213 nan 8.150 nan 0.000 0.444 315 V N -0.341 119.490 119.914 -0.138 0.000 2.427 315 V HA -0.198 3.886 4.120 -0.060 0.000 0.248 315 V C 3.027 178.940 176.094 -0.300 0.000 1.051 315 V CA 1.784 63.980 62.300 -0.173 0.000 1.048 315 V CB -1.104 30.663 31.823 -0.094 0.000 0.666 315 V HN 0.630 nan 8.190 nan 0.000 0.456 316 A N 0.000 122.600 122.820 -0.367 0.000 1.877 316 A HA -0.222 4.062 4.320 -0.060 0.000 0.216 316 A C 2.284 179.719 177.584 -0.249 0.000 1.186 316 A CA 1.870 53.647 52.037 -0.433 0.000 0.620 316 A CB -0.405 18.547 19.000 -0.080 0.000 0.822 316 A HN 0.537 nan 8.150 nan 0.000 0.443 317 K N -0.214 120.016 120.400 -0.283 0.000 2.032 317 K HA -0.106 4.178 4.320 -0.060 0.000 0.209 317 K C 2.320 178.769 176.600 -0.252 0.000 1.048 317 K CA 1.217 57.264 56.287 -0.400 0.000 0.927 317 K CB -0.429 31.520 32.500 -0.917 0.000 0.712 317 K HN 0.427 nan 8.250 nan 0.000 0.441 318 A N 1.687 124.388 122.820 -0.199 0.000 1.940 318 A HA -0.151 4.133 4.320 -0.060 0.000 0.219 318 A C 2.164 179.823 177.584 0.126 0.000 1.176 318 A CA 1.367 53.352 52.037 -0.088 0.000 0.631 318 A CB -0.684 18.030 19.000 -0.476 0.000 0.814 318 A HN 0.182 nan 8.150 nan 0.000 0.446 319 L N -1.009 120.296 121.223 0.138 0.000 2.201 319 L HA -0.100 4.204 4.340 -0.060 0.000 0.212 319 L C 2.464 179.388 176.870 0.091 0.000 1.105 319 L CA 0.616 55.564 54.840 0.180 0.000 0.775 319 L CB -0.318 41.737 42.059 -0.006 0.000 0.913 319 L HN 0.377 nan 8.230 nan 0.000 0.440 320 L N -0.645 120.603 121.223 0.042 0.000 2.068 320 L HA -0.153 4.151 4.340 -0.060 0.000 0.204 320 L C 2.610 179.516 176.870 0.061 0.000 1.076 320 L CA 1.107 55.971 54.840 0.041 0.000 0.753 320 L CB -0.179 41.890 42.059 0.016 0.000 0.910 320 L HN 0.299 nan 8.230 nan 0.000 0.439 321 E N -0.145 120.102 120.200 0.078 0.000 2.016 321 E HA -0.161 4.153 4.350 -0.060 0.000 0.190 321 E C 0.538 177.193 176.600 0.091 0.000 0.985 321 E CA 1.579 58.034 56.400 0.090 0.000 0.802 321 E CB 0.253 30.034 29.700 0.134 0.000 0.762 321 E HN 0.340 nan 8.360 nan 0.000 0.448 322 T N 0.305 114.940 114.554 0.134 0.000 3.401 322 T HA 0.422 4.736 4.350 -0.060 0.000 0.341 322 T C -2.795 172.041 174.700 0.226 0.000 1.674 322 T CA -2.126 60.069 62.100 0.158 0.000 1.600 322 T CB 1.166 70.125 68.868 0.151 0.000 0.974 322 T HN -0.082 nan 8.240 nan 0.000 0.672 323 P HA 0.302 nan 4.420 nan 0.000 0.268 323 P C -2.576 174.711 177.300 -0.022 0.000 1.204 323 P CA -1.145 61.983 63.100 0.046 0.000 0.768 323 P CB -0.102 31.612 31.700 0.024 0.000 0.842 324 P HA 0.145 nan 4.420 nan 0.000 0.274 324 P C -1.869 175.371 177.300 -0.099 0.000 1.256 324 P CA -1.529 61.472 63.100 -0.165 0.000 0.795 324 P CB -0.583 30.921 31.700 -0.326 0.000 1.038 325 P HA -0.195 nan 4.420 nan 0.000 0.216 325 P C 0.952 178.220 177.300 -0.054 0.000 1.150 325 P CA 1.593 64.662 63.100 -0.052 0.000 0.837 325 P CB -0.360 31.312 31.700 -0.047 0.000 0.786 326 D N -1.106 119.249 120.400 -0.075 0.000 2.350 326 D HA -0.103 4.501 4.640 -0.060 0.000 0.216 326 D C 1.276 177.545 176.300 -0.052 0.000 0.968 326 D CA 0.823 54.785 54.000 -0.064 0.000 0.894 326 D CB -0.542 40.208 40.800 -0.084 0.000 0.909 326 D HN 0.160 nan 8.370 nan 0.000 0.520 327 L N -0.545 120.643 121.223 -0.058 0.000 2.640 327 L HA 0.354 4.658 4.340 -0.060 0.000 0.230 327 L C 1.838 178.697 176.870 -0.018 0.000 1.123 327 L CA 0.731 55.549 54.840 -0.036 0.000 0.900 327 L CB 0.450 42.481 42.059 -0.046 0.000 1.146 327 L HN 0.332 nan 8.230 nan 0.000 0.484 328 G N -1.677 107.111 108.800 -0.020 0.000 2.176 328 G HA2 -0.217 3.707 3.960 -0.060 0.000 0.232 328 G HA3 -0.217 3.707 3.960 -0.060 0.000 0.232 328 G C 0.743 175.639 174.900 -0.008 0.000 0.986 328 G CA -0.045 45.049 45.100 -0.010 0.000 0.643 328 G HN 0.611 nan 8.290 nan 0.000 0.522 329 G N -0.807 107.984 108.800 -0.015 0.000 2.509 329 G HA2 0.570 4.494 3.960 -0.060 0.000 0.269 329 G HA3 0.570 4.494 3.960 -0.060 0.000 0.269 329 G C 0.888 175.784 174.900 -0.007 0.000 1.416 329 G CA 0.880 45.977 45.100 -0.006 0.000 1.052 329 G HN 1.246 nan 8.290 nan 0.000 0.542 330 S N -2.077 113.624 115.700 0.002 0.000 2.820 330 S HA 0.458 4.892 4.470 -0.060 0.000 0.265 330 S C 0.600 175.207 174.600 0.013 0.000 1.043 330 S CA 0.685 58.888 58.200 0.005 0.000 1.245 330 S CB -0.191 63.015 63.200 0.010 0.000 1.187 330 S HN 1.059 nan 8.310 nan 0.000 0.673 331 A N 1.471 124.305 122.820 0.023 0.000 2.309 331 A HA 0.707 4.991 4.320 -0.060 0.000 0.290 331 A C 0.789 178.393 177.584 0.033 0.000 1.206 331 A CA 0.038 52.107 52.037 0.054 0.000 0.850 331 A CB 0.005 19.080 19.000 0.126 0.000 1.118 331 A HN 0.547 nan 8.150 nan 0.000 0.523 332 G N 1.428 110.253 108.800 0.041 0.000 2.606 332 G HA2 0.369 4.293 3.960 -0.060 0.000 0.252 332 G HA3 0.369 4.293 3.960 -0.060 0.000 0.252 332 G C 0.934 175.874 174.900 0.067 0.000 1.206 332 G CA 0.385 45.504 45.100 0.031 0.000 0.861 332 G HN 0.697 nan 8.290 nan 0.000 0.561 333 T N 0.404 114.986 114.554 0.048 0.000 2.653 333 T HA -0.216 4.098 4.350 -0.060 0.000 0.268 333 T C 2.098 176.874 174.700 0.126 0.000 1.035 333 T CA 1.990 64.140 62.100 0.083 0.000 1.154 333 T CB -0.212 68.688 68.868 0.054 0.000 0.862 333 T HN 0.593 nan 8.240 nan 0.000 0.441 334 E N 1.190 121.440 120.200 0.083 0.000 2.031 334 E HA -0.044 4.270 4.350 -0.060 0.000 0.193 334 E C 2.357 179.002 176.600 0.076 0.000 0.994 334 E CA 1.354 57.796 56.400 0.069 0.000 0.800 334 E CB -0.632 29.095 29.700 0.045 0.000 0.752 334 E HN 0.467 nan 8.360 nan 0.000 0.447 335 A N -0.320 122.549 122.820 0.081 0.000 1.933 335 A HA -0.157 4.127 4.320 -0.060 0.000 0.218 335 A C 2.175 179.820 177.584 0.102 0.000 1.175 335 A CA 1.442 53.522 52.037 0.073 0.000 0.628 335 A CB -0.868 18.172 19.000 0.067 0.000 0.814 335 A HN 0.461 nan 8.150 nan 0.000 0.444 336 F N 1.247 121.196 119.950 -0.002 0.000 2.206 336 F HA -0.099 4.393 4.527 -0.060 0.000 0.298 336 F C 2.400 178.200 175.800 0.001 0.000 1.090 336 F CA 2.072 60.072 58.000 -0.001 0.000 1.323 336 F CB -0.471 38.526 39.000 -0.005 0.000 1.028 336 F HN 0.198 nan 8.300 nan 0.000 0.492 337 T N 0.625 115.225 114.554 0.078 0.000 2.708 337 T HA -0.188 4.126 4.350 -0.060 0.000 0.266 337 T C 2.261 176.897 174.700 -0.106 0.000 1.037 337 T CA 1.467 63.549 62.100 -0.030 0.000 1.146 337 T CB -0.905 67.994 68.868 0.052 0.000 0.865 337 T HN 0.356 nan 8.240 nan 0.000 0.435 338 A N 1.418 124.202 122.820 -0.060 0.000 1.948 338 A HA -0.172 4.113 4.320 -0.060 0.000 0.220 338 A C 2.540 180.049 177.584 -0.124 0.000 1.177 338 A CA 2.195 54.189 52.037 -0.072 0.000 0.636 338 A CB -1.319 17.657 19.000 -0.039 0.000 0.815 338 A HN 0.504 nan 8.150 nan 0.000 0.449 339 T N -0.460 113.994 114.554 -0.166 0.000 2.788 339 T HA -0.103 4.211 4.350 -0.060 0.000 0.268 339 T C 1.837 176.402 174.700 -0.224 0.000 1.044 339 T CA 1.475 63.452 62.100 -0.205 0.000 1.139 339 T CB -0.398 68.349 68.868 -0.201 0.000 0.867 339 T HN 0.176 nan 8.240 nan 0.000 0.454 340 V N 1.647 121.359 119.914 -0.337 0.000 2.407 340 V HA -0.105 3.979 4.120 -0.060 0.000 0.248 340 V C 2.434 178.463 176.094 -0.109 0.000 1.055 340 V CA 1.392 63.545 62.300 -0.245 0.000 1.049 340 V CB -0.686 30.947 31.823 -0.318 0.000 0.662 340 V HN 0.462 nan 8.190 nan 0.000 0.455 341 L N -0.871 120.284 121.223 -0.113 0.000 2.072 341 L HA -0.128 4.176 4.340 -0.060 0.000 0.205 341 L C 2.733 179.551 176.870 -0.086 0.000 1.079 341 L CA 1.475 56.269 54.840 -0.076 0.000 0.752 341 L CB -0.728 41.292 42.059 -0.064 0.000 0.906 341 L HN 0.187 nan 8.230 nan 0.000 0.436 342 R N -0.590 119.828 120.500 -0.137 0.000 2.112 342 R HA -0.207 4.097 4.340 -0.060 0.000 0.242 342 R C 2.423 178.602 176.300 -0.200 0.000 1.137 342 R CA 1.712 57.696 56.100 -0.192 0.000 0.944 342 R CB -0.448 29.681 30.300 -0.284 0.000 0.857 342 R HN 0.434 nan 8.270 nan 0.000 0.435 343 H N -0.372 118.649 119.070 -0.082 0.000 2.423 343 H HA -0.094 4.427 4.556 -0.059 0.000 0.297 343 H C 1.970 177.263 175.328 -0.058 0.000 1.075 343 H CA 1.080 57.086 56.048 -0.070 0.000 1.342 343 H CB -0.003 29.706 29.762 -0.089 0.000 1.395 343 H HN 0.109 nan 8.280 nan 0.000 0.530 344 L N 0.499 121.749 121.223 0.046 0.000 2.313 344 L HA 0.096 4.400 4.340 -0.060 0.000 0.214 344 L C 2.149 179.018 176.870 -0.003 0.000 1.119 344 L CA 0.849 55.697 54.840 0.013 0.000 0.809 344 L CB -0.224 41.830 42.059 -0.009 0.000 0.933 344 L HN 0.090 nan 8.230 nan 0.000 0.449 345 A N -1.156 121.653 122.820 -0.019 0.000 2.259 345 A HA 0.614 4.898 4.320 -0.060 0.000 0.208 345 A C 1.033 178.606 177.584 -0.018 0.000 1.201 345 A CA 0.534 52.557 52.037 -0.023 0.000 0.824 345 A CB -0.706 18.272 19.000 -0.037 0.000 0.838 345 A HN 0.342 nan 8.150 nan 0.000 0.485 346 A N 0.000 122.818 122.820 -0.004 0.000 2.254 346 A HA 0.000 4.284 4.320 -0.060 0.000 0.244 346 A CA 0.000 52.040 52.037 0.005 0.000 0.836 346 A CB 0.000 19.008 19.000 0.012 0.000 0.831 346 A HN 0.000 nan 8.150 nan 0.000 0.486