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 2h90_1_A DATA FIRST_RESID 2 DATA SEQUENCE SALFEPYTLK DVTLRNRIAI PPMCQYMAED GMINDWHHVH LAGLARGGAG DATA SEQUENCE LLVVEATAVA PEGRITPGCA GIWSDAHAQA FVPVVQAIKA AGSVPGIQIA DATA SEQUENCE HAGRKASANR PWEGDDHIAA DDTRGWETIA PSAIAFGAHL PKVPREMTLD DATA SEQUENCE DIARVKQDFV DAARRARDAG FEWIELHFAH GYLGQSFFSE HSNKRTDAYG DATA SEQUENCE GSFDNRSRFL LETLAAVREV WPENLPLTAR FGVLEYDGRD EQTLEESIEL DATA SEQUENCE ARRFKAGGLD LLSVSVGFTI PDTNIPWGPA FMGPIAERVR REAKLPVTSA DATA SEQUENCE WGFGTPQLAE AALQANQLDL VSVGRAHLAD PHWAYFAAKE LGVEKASWTL DATA SEQUENCE PAPYAHWLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.682 174.600 0.137 0.000 1.055 2 S CA 0.000 58.274 58.200 0.124 0.000 1.107 2 S CB 0.000 63.303 63.200 0.172 0.000 0.593 3 A N 0.970 123.846 122.820 0.093 0.000 1.933 3 A HA 0.060 4.382 4.320 0.002 0.000 0.218 3 A C 1.963 179.567 177.584 0.033 0.000 1.175 3 A CA 1.728 53.803 52.037 0.063 0.000 0.628 3 A CB -0.851 18.174 19.000 0.042 0.000 0.814 3 A HN 1.275 nan 8.150 nan 0.000 0.444 4 L N -1.907 119.327 121.223 0.017 0.000 2.191 4 L HA 0.007 4.349 4.340 0.002 0.000 0.212 4 L C 1.070 177.725 176.870 -0.359 0.000 1.103 4 L CA 1.617 56.366 54.840 -0.152 0.000 0.769 4 L CB -0.459 41.500 42.059 -0.167 0.000 0.908 4 L HN 0.349 nan 8.230 nan 0.000 0.438 5 F N -0.490 119.482 119.950 0.037 0.000 2.684 5 F HA 0.269 4.797 4.527 0.002 0.000 0.298 5 F C 0.765 176.596 175.800 0.051 0.000 1.120 5 F CA -0.604 57.423 58.000 0.044 0.000 1.332 5 F CB -0.055 38.963 39.000 0.030 0.000 0.986 5 F HN 0.021 nan 8.300 nan 0.000 0.524 6 E N 3.099 123.377 120.200 0.130 0.000 2.283 6 E HA 0.186 4.538 4.350 0.002 0.000 0.278 6 E C -2.212 174.456 176.600 0.114 0.000 1.027 6 E CA -2.091 54.381 56.400 0.119 0.000 0.843 6 E CB 0.672 30.430 29.700 0.098 0.000 1.062 6 E HN -0.057 nan 8.360 nan 0.000 0.401 7 P HA -0.045 nan 4.420 nan 0.000 0.272 7 P C -1.212 176.211 177.300 0.205 0.000 1.240 7 P CA 0.073 63.255 63.100 0.137 0.000 0.791 7 P CB 0.510 32.274 31.700 0.105 0.000 0.978 8 Y N -0.399 119.931 120.300 0.050 0.000 2.386 8 Y HA 0.384 4.935 4.550 0.002 0.000 0.334 8 Y C -1.038 174.913 175.900 0.085 0.000 1.002 8 Y CA -0.369 57.769 58.100 0.064 0.000 1.068 8 Y CB 1.518 40.016 38.460 0.064 0.000 1.203 8 Y HN 0.178 nan 8.280 nan 0.000 0.443 9 T N 7.522 121.830 114.554 -0.408 0.000 2.779 9 T HA 0.583 4.934 4.350 0.002 0.000 0.280 9 T C -1.744 172.630 174.700 -0.544 0.000 0.987 9 T CA -0.445 61.457 62.100 -0.330 0.000 0.966 9 T CB 0.991 69.770 68.868 -0.148 0.000 0.933 9 T HN 0.494 nan 8.240 nan 0.000 0.442 10 L N 4.849 125.881 121.223 -0.318 0.000 2.441 10 L HA 0.538 4.879 4.340 0.002 0.000 0.270 10 L C 0.060 176.879 176.870 -0.085 0.000 0.973 10 L CA -0.214 54.492 54.840 -0.222 0.000 0.842 10 L CB 0.738 42.732 42.059 -0.108 0.000 1.239 10 L HN 0.486 nan 8.230 nan 0.000 0.406 11 K N 2.300 122.653 120.400 -0.078 0.000 1.844 11 K HA -0.262 4.059 4.320 0.002 0.000 0.160 11 K C 0.120 176.698 176.600 -0.036 0.000 1.448 11 K CA 1.807 58.065 56.287 -0.047 0.000 0.446 11 K CB -0.899 31.580 32.500 -0.036 0.000 0.635 11 K HN 0.745 nan 8.250 nan 0.000 0.848 12 D N 0.914 121.303 120.400 -0.020 0.000 2.339 12 D HA 0.170 4.811 4.640 0.002 0.000 0.217 12 D C -0.195 176.113 176.300 0.013 0.000 1.050 12 D CA 0.229 54.222 54.000 -0.012 0.000 0.856 12 D CB 0.315 41.102 40.800 -0.021 0.000 0.922 12 D HN 0.109 nan 8.370 nan 0.000 0.518 13 V N 0.535 120.475 119.914 0.042 0.000 2.472 13 V HA 0.386 4.507 4.120 0.002 0.000 0.290 13 V C 0.435 176.574 176.094 0.075 0.000 1.037 13 V CA -0.345 62.011 62.300 0.093 0.000 0.908 13 V CB 1.968 33.913 31.823 0.204 0.000 0.985 13 V HN -0.104 nan 8.190 nan 0.000 0.454 14 T N 6.163 120.761 114.554 0.074 0.000 2.809 14 T HA 0.560 4.912 4.350 0.002 0.000 0.284 14 T C -0.396 174.360 174.700 0.093 0.000 0.992 14 T CA -0.328 61.809 62.100 0.063 0.000 0.957 14 T CB 0.770 69.662 68.868 0.039 0.000 0.942 14 T HN 0.352 nan 8.240 nan 0.000 0.439 15 L N 4.009 125.308 121.223 0.127 0.000 2.312 15 L HA 0.458 4.799 4.340 0.002 0.000 0.281 15 L C 2.032 178.964 176.870 0.104 0.000 1.070 15 L CA -0.848 54.059 54.840 0.111 0.000 0.805 15 L CB 1.123 43.262 42.059 0.134 0.000 1.174 15 L HN 0.710 nan 8.230 nan 0.000 0.434 16 R N 1.393 121.943 120.500 0.083 0.000 2.237 16 R HA -0.047 4.294 4.340 0.002 0.000 0.219 16 R C -0.171 176.196 176.300 0.113 0.000 1.080 16 R CA 0.858 57.017 56.100 0.099 0.000 0.995 16 R CB -0.421 29.941 30.300 0.102 0.000 0.875 16 R HN 0.855 nan 8.270 nan 0.000 0.462 17 N N -1.529 117.214 118.700 0.072 0.000 3.277 17 N HA 0.186 4.928 4.740 0.002 0.000 0.278 17 N C -0.648 174.835 175.510 -0.046 0.000 1.544 17 N CA -1.133 51.920 53.050 0.005 0.000 0.869 17 N CB 0.588 39.018 38.487 -0.094 0.000 1.584 17 N HN -0.262 nan 8.380 nan 0.000 0.564 18 R N -0.198 120.222 120.500 -0.134 0.000 2.356 18 R HA 0.395 4.737 4.340 0.002 0.000 0.234 18 R C -0.230 175.973 176.300 -0.162 0.000 0.929 18 R CA -0.176 55.833 56.100 -0.150 0.000 1.084 18 R CB -1.020 29.183 30.300 -0.163 0.000 1.105 18 R HN 0.629 nan 8.270 nan 0.000 0.515 19 I N 1.381 121.868 120.570 -0.138 0.000 2.352 19 I HA 0.245 4.416 4.170 0.002 0.000 0.290 19 I C 0.206 176.272 176.117 -0.085 0.000 1.036 19 I CA -0.489 60.779 61.300 -0.054 0.000 1.336 19 I CB 1.314 39.362 38.000 0.080 0.000 1.407 19 I HN -0.071 nan 8.210 nan 0.000 0.497 20 A N 7.305 130.055 122.820 -0.116 0.000 2.355 20 A HA 0.782 5.104 4.320 0.002 0.000 0.317 20 A C -0.841 176.650 177.584 -0.154 0.000 1.094 20 A CA -0.522 51.408 52.037 -0.178 0.000 0.764 20 A CB 0.971 19.841 19.000 -0.218 0.000 1.230 20 A HN 0.504 nan 8.150 nan 0.000 0.448 21 I N 4.274 124.722 120.570 -0.204 0.000 2.307 21 I HA 0.338 4.510 4.170 0.002 0.000 0.289 21 I C -1.890 174.156 176.117 -0.119 0.000 1.021 21 I CA -2.470 58.706 61.300 -0.206 0.000 1.224 21 I CB 1.163 38.960 38.000 -0.338 0.000 1.376 21 I HN 0.423 nan 8.210 nan 0.000 0.470 22 P HA 0.208 nan 4.420 nan 0.000 0.272 22 P C -2.686 174.630 177.300 0.026 0.000 1.240 22 P CA -1.528 61.572 63.100 0.000 0.000 0.791 22 P CB -0.228 31.510 31.700 0.062 0.000 0.978 23 P HA 0.123 nan 4.420 nan 0.000 0.264 23 P C -0.474 176.889 177.300 0.105 0.000 1.193 23 P CA 0.812 63.940 63.100 0.047 0.000 0.763 23 P CB 0.232 31.928 31.700 -0.006 0.000 0.810 24 M N 2.914 122.594 119.600 0.133 0.000 2.060 24 M HA 0.182 4.664 4.480 0.002 0.000 0.275 24 M C -0.416 175.962 176.300 0.130 0.000 0.919 24 M CA -0.557 54.839 55.300 0.159 0.000 0.970 24 M CB 1.492 34.206 32.600 0.191 0.000 1.670 24 M HN 0.261 nan 8.290 nan 0.000 0.440 25 C N 2.807 122.128 119.300 0.035 0.000 2.563 25 C HA -0.021 4.440 4.460 0.002 0.000 0.411 25 C C 1.659 176.546 174.990 -0.171 0.000 1.386 25 C CA 0.189 59.080 59.018 -0.212 0.000 1.703 25 C CB 0.079 27.436 27.740 -0.638 0.000 2.596 25 C HN 0.748 nan 8.230 nan 0.000 0.605 26 Q N 0.734 120.462 119.800 -0.119 0.000 2.350 26 Q HA 0.092 4.434 4.340 0.002 0.000 0.225 26 Q C 0.277 176.400 176.000 0.204 0.000 0.878 26 Q CA 0.153 56.008 55.803 0.086 0.000 0.935 26 Q CB 0.036 28.840 28.738 0.110 0.000 1.099 26 Q HN 0.922 nan 8.270 nan 0.000 0.527 27 Y N -0.689 119.699 120.300 0.146 0.000 3.825 27 Y HA -0.240 4.312 4.550 0.002 0.000 0.221 27 Y C 0.999 176.945 175.900 0.077 0.000 1.195 27 Y CA 0.681 58.823 58.100 0.071 0.000 1.699 27 Y CB -1.847 36.542 38.460 -0.119 0.000 1.531 27 Y HN 0.149 nan 8.280 nan 0.000 0.640 28 M N -1.237 118.464 119.600 0.168 0.000 2.346 28 M HA 0.433 4.914 4.480 0.002 0.000 0.280 28 M C 1.183 177.659 176.300 0.293 0.000 1.075 28 M CA 0.377 55.722 55.300 0.075 0.000 0.989 28 M CB 0.057 32.446 32.600 -0.350 0.000 1.447 28 M HN 0.274 nan 8.290 nan 0.000 0.511 29 A N 1.188 124.209 122.820 0.335 0.000 2.287 29 A HA 0.509 4.830 4.320 0.002 0.000 0.273 29 A C -0.265 177.407 177.584 0.148 0.000 1.091 29 A CA -0.170 51.997 52.037 0.218 0.000 0.817 29 A CB 0.613 19.658 19.000 0.076 0.000 1.069 29 A HN 0.403 nan 8.150 nan 0.000 0.492 30 E N 0.669 120.926 120.200 0.095 0.000 2.218 30 E HA 0.345 4.697 4.350 0.002 0.000 0.263 30 E C -1.399 175.255 176.600 0.091 0.000 0.879 30 E CA -0.736 55.720 56.400 0.093 0.000 0.762 30 E CB 1.169 30.912 29.700 0.071 0.000 1.166 30 E HN 0.608 nan 8.360 nan 0.000 0.415 31 D N 2.568 123.059 120.400 0.153 0.000 2.751 31 D HA -0.222 4.420 4.640 0.002 0.000 0.233 31 D C 0.941 177.425 176.300 0.306 0.000 1.149 31 D CA 1.679 55.822 54.000 0.240 0.000 0.682 31 D CB -1.218 39.694 40.800 0.186 0.000 1.068 31 D HN 1.017 nan 8.370 nan 0.000 0.429 32 G N -1.523 107.405 108.800 0.213 0.000 2.245 32 G HA2 -0.355 3.606 3.960 0.002 0.000 0.264 32 G HA3 -0.355 3.606 3.960 0.002 0.000 0.264 32 G C 0.386 175.257 174.900 -0.049 0.000 0.985 32 G CA 0.608 45.716 45.100 0.014 0.000 0.625 32 G HN 0.367 nan 8.290 nan 0.000 0.536 33 M N 1.811 121.336 119.600 -0.125 0.000 2.146 33 M HA 0.444 4.925 4.480 0.002 0.000 0.352 33 M C 1.327 177.469 176.300 -0.262 0.000 1.343 33 M CA -0.753 54.379 55.300 -0.280 0.000 1.115 33 M CB 0.269 32.692 32.600 -0.295 0.000 1.657 33 M HN 0.446 nan 8.290 nan 0.000 0.471 34 I N 2.221 122.516 120.570 -0.459 0.000 3.079 34 I HA 0.495 4.666 4.170 0.002 0.000 0.295 34 I C 0.034 176.026 176.117 -0.208 0.000 1.094 34 I CA -0.570 60.355 61.300 -0.625 0.000 1.295 34 I CB 0.695 38.082 38.000 -1.023 0.000 1.443 34 I HN 0.781 nan 8.210 nan 0.000 0.607 35 N N 0.009 118.796 118.700 0.145 0.000 3.506 35 N HA 0.212 4.954 4.740 0.002 0.000 0.331 35 N C -0.165 175.505 175.510 0.267 0.000 1.631 35 N CA -0.600 52.556 53.050 0.177 0.000 0.786 35 N CB -0.023 38.574 38.487 0.183 0.000 2.023 35 N HN 0.626 nan 8.380 nan 0.000 0.621 36 D N -1.364 119.146 120.400 0.183 0.000 2.309 36 D HA -0.114 4.528 4.640 0.002 0.000 0.212 36 D C 0.741 177.143 176.300 0.171 0.000 0.968 36 D CA 0.649 54.743 54.000 0.157 0.000 0.882 36 D CB -0.009 40.840 40.800 0.082 0.000 0.918 36 D HN 0.510 nan 8.370 nan 0.000 0.503 37 W N 0.597 121.950 121.300 0.089 0.000 2.354 37 W HA -0.214 4.447 4.660 0.002 0.000 0.315 37 W C 1.386 177.890 176.519 -0.025 0.000 1.206 37 W CA 1.586 58.910 57.345 -0.034 0.000 1.290 37 W CB -0.572 28.767 29.460 -0.201 0.000 1.152 37 W HN 0.190 nan 8.180 nan 0.000 0.489 38 H N -1.602 117.552 119.070 0.140 0.000 2.357 38 H HA -0.175 4.382 4.556 0.002 0.000 0.301 38 H C 2.372 177.732 175.328 0.054 0.000 1.082 38 H CA 2.160 58.283 56.048 0.125 0.000 1.342 38 H CB -1.120 28.754 29.762 0.187 0.000 1.389 38 H HN 0.234 nan 8.280 nan 0.000 0.511 39 H N 0.736 119.872 119.070 0.110 0.000 2.290 39 H HA -0.111 4.446 4.556 0.002 0.000 0.298 39 H C 2.128 177.439 175.328 -0.028 0.000 1.087 39 H CA 1.927 57.998 56.048 0.038 0.000 1.291 39 H CB -0.162 29.613 29.762 0.020 0.000 1.369 39 H HN 0.222 nan 8.280 nan 0.000 0.492 40 V N 0.801 120.719 119.914 0.007 0.000 2.358 40 V HA -0.235 3.886 4.120 0.002 0.000 0.246 40 V C 2.532 178.509 176.094 -0.195 0.000 1.047 40 V CA 2.177 64.424 62.300 -0.089 0.000 1.035 40 V CB -0.873 30.890 31.823 -0.100 0.000 0.658 40 V HN 0.536 nan 8.190 nan 0.000 0.452 41 H N 0.354 119.174 119.070 -0.417 0.000 2.290 41 H HA -0.159 4.398 4.556 0.002 0.000 0.298 41 H C 2.003 177.224 175.328 -0.177 0.000 1.087 41 H CA 2.236 58.047 56.048 -0.394 0.000 1.291 41 H CB -0.315 29.111 29.762 -0.560 0.000 1.369 41 H HN 0.327 nan 8.280 nan 0.000 0.492 42 L N -0.392 120.673 121.223 -0.263 0.000 2.072 42 L HA -0.037 4.304 4.340 0.002 0.000 0.205 42 L C 2.916 179.657 176.870 -0.215 0.000 1.079 42 L CA 0.926 55.617 54.840 -0.249 0.000 0.752 42 L CB -0.688 41.345 42.059 -0.044 0.000 0.906 42 L HN 0.446 nan 8.230 nan 0.000 0.436 43 A N 0.434 123.106 122.820 -0.246 0.000 1.902 43 A HA -0.116 4.205 4.320 0.002 0.000 0.217 43 A C 2.404 179.922 177.584 -0.110 0.000 1.181 43 A CA 1.707 53.617 52.037 -0.211 0.000 0.623 43 A CB -1.257 17.554 19.000 -0.315 0.000 0.818 43 A HN 0.436 nan 8.150 nan 0.000 0.443 44 G N -0.248 108.490 108.800 -0.104 0.000 2.418 44 G HA2 -0.160 3.802 3.960 0.002 0.000 0.217 44 G HA3 -0.160 3.802 3.960 0.002 0.000 0.217 44 G C 1.558 176.475 174.900 0.028 0.000 1.158 44 G CA 1.025 46.120 45.100 -0.010 0.000 0.771 44 G HN 0.430 nan 8.290 nan 0.000 0.545 45 L N 0.566 121.739 121.223 -0.083 0.000 2.056 45 L HA -0.024 4.318 4.340 0.002 0.000 0.207 45 L C 3.415 180.272 176.870 -0.021 0.000 1.078 45 L CA 0.918 55.723 54.840 -0.059 0.000 0.749 45 L CB -0.362 41.560 42.059 -0.228 0.000 0.901 45 L HN 0.308 nan 8.230 nan 0.000 0.433 46 A N 0.266 123.053 122.820 -0.055 0.000 1.908 46 A HA -0.220 4.101 4.320 0.002 0.000 0.218 46 A C 2.320 179.911 177.584 0.011 0.000 1.181 46 A CA 1.556 53.574 52.037 -0.033 0.000 0.627 46 A CB -0.485 18.485 19.000 -0.051 0.000 0.818 46 A HN 0.352 nan 8.150 nan 0.000 0.445 47 R N -0.760 119.757 120.500 0.029 0.000 2.237 47 R HA -0.042 4.299 4.340 0.002 0.000 0.219 47 R C 2.147 178.473 176.300 0.044 0.000 1.080 47 R CA 0.659 56.782 56.100 0.037 0.000 0.995 47 R CB -0.452 29.887 30.300 0.065 0.000 0.875 47 R HN 0.526 nan 8.270 nan 0.000 0.462 48 G N -0.281 108.595 108.800 0.126 0.000 2.470 48 G HA2 -0.060 3.901 3.960 0.002 0.000 0.220 48 G HA3 -0.060 3.901 3.960 0.002 0.000 0.220 48 G C 1.003 176.001 174.900 0.164 0.000 1.121 48 G CA 0.925 46.133 45.100 0.181 0.000 0.766 48 G HN 0.496 nan 8.290 nan 0.000 0.553 49 G N -1.378 107.507 108.800 0.142 0.000 2.284 49 G HA2 0.191 4.153 3.960 0.002 0.000 0.201 49 G HA3 0.191 4.153 3.960 0.002 0.000 0.201 49 G C 0.596 175.604 174.900 0.181 0.000 0.998 49 G CA 0.311 45.516 45.100 0.176 0.000 0.651 49 G HN 1.327 nan 8.290 nan 0.000 0.489 50 A N 0.796 123.712 122.820 0.161 0.000 2.531 50 A HA 0.543 4.864 4.320 0.002 0.000 0.236 50 A C 1.779 179.376 177.584 0.023 0.000 1.062 50 A CA 1.519 53.608 52.037 0.088 0.000 0.760 50 A CB 0.373 19.361 19.000 -0.021 0.000 0.995 50 A HN 1.555 nan 8.150 nan 0.000 0.501 51 G N 0.620 109.417 108.800 -0.005 0.000 2.421 51 G HA2 0.269 4.230 3.960 0.002 0.000 0.217 51 G HA3 0.269 4.230 3.960 0.002 0.000 0.217 51 G C 0.291 175.144 174.900 -0.078 0.000 1.143 51 G CA 1.220 46.310 45.100 -0.017 0.000 0.784 51 G HN 0.863 nan 8.290 nan 0.000 0.541 52 L N -0.266 120.864 121.223 -0.155 0.000 2.436 52 L HA 0.748 5.090 4.340 0.002 0.000 0.268 52 L C -1.756 174.966 176.870 -0.247 0.000 0.974 52 L CA -1.178 53.501 54.840 -0.268 0.000 0.826 52 L CB 2.346 44.096 42.059 -0.515 0.000 1.291 52 L HN -0.057 nan 8.230 nan 0.000 0.406 53 L N 6.272 127.373 121.223 -0.204 0.000 2.345 53 L HA 0.628 4.969 4.340 0.002 0.000 0.274 53 L C -1.354 175.448 176.870 -0.114 0.000 0.999 53 L CA -0.341 54.407 54.840 -0.154 0.000 0.849 53 L CB 1.670 43.668 42.059 -0.102 0.000 1.220 53 L HN 0.386 nan 8.230 nan 0.000 0.422 54 V N 6.043 125.879 119.914 -0.131 0.000 2.364 54 V HA 0.332 4.454 4.120 0.002 0.000 0.272 54 V C 0.459 176.547 176.094 -0.011 0.000 1.036 54 V CA -0.710 61.539 62.300 -0.084 0.000 0.880 54 V CB 1.331 33.091 31.823 -0.105 0.000 0.991 54 V HN 0.533 nan 8.190 nan 0.000 0.460 55 V N 5.807 125.736 119.914 0.025 0.000 2.872 55 V HA 0.032 4.154 4.120 0.002 0.000 0.307 55 V C 1.036 177.153 176.094 0.038 0.000 1.072 55 V CA -0.293 62.058 62.300 0.085 0.000 1.148 55 V CB 0.598 32.495 31.823 0.122 0.000 0.954 55 V HN 1.085 nan 8.190 nan 0.000 0.490 56 E N 3.654 123.923 120.200 0.116 0.000 2.485 56 E HA 0.151 4.502 4.350 0.002 0.000 0.266 56 E C 0.254 176.873 176.600 0.032 0.000 1.137 56 E CA -0.131 56.321 56.400 0.085 0.000 1.010 56 E CB 0.415 30.188 29.700 0.122 0.000 0.986 56 E HN 0.814 nan 8.360 nan 0.000 0.460 57 A N 2.635 125.472 122.820 0.030 0.000 2.563 57 A HA 0.061 4.382 4.320 0.002 0.000 0.256 57 A C -0.152 177.439 177.584 0.011 0.000 1.056 57 A CA 0.371 52.431 52.037 0.038 0.000 0.775 57 A CB -0.403 18.666 19.000 0.115 0.000 0.973 57 A HN 0.517 nan 8.150 nan 0.000 0.516 58 T N 3.036 117.573 114.554 -0.028 0.000 2.772 58 T HA 0.539 4.891 4.350 0.002 0.000 0.288 58 T C 0.466 175.136 174.700 -0.051 0.000 0.994 58 T CA 0.344 62.431 62.100 -0.021 0.000 0.951 58 T CB 1.249 70.064 68.868 -0.087 0.000 0.933 58 T HN 1.082 nan 8.240 nan 0.000 0.447 59 A N 2.615 125.438 122.820 0.004 0.000 2.511 59 A HA 0.287 4.608 4.320 0.002 0.000 0.242 59 A C 1.642 179.224 177.584 -0.003 0.000 1.069 59 A CA -0.346 51.683 52.037 -0.014 0.000 0.763 59 A CB -0.009 19.029 19.000 0.063 0.000 1.001 59 A HN 1.023 nan 8.150 nan 0.000 0.498 60 V N -0.353 119.463 119.914 -0.164 0.000 3.306 60 V HA 0.504 4.625 4.120 0.002 0.000 0.264 60 V C 0.756 176.836 176.094 -0.023 0.000 1.149 60 V CA 1.041 63.232 62.300 -0.181 0.000 1.143 60 V CB -1.451 30.046 31.823 -0.544 0.000 0.767 60 V HN 1.646 nan 8.190 nan 0.000 0.476 61 A N -0.734 122.033 122.820 -0.090 0.000 2.594 61 A HA 0.782 5.103 4.320 0.002 0.000 0.295 61 A C -2.374 174.751 177.584 -0.766 0.000 1.071 61 A CA -0.975 50.865 52.037 -0.328 0.000 0.685 61 A CB 1.024 19.905 19.000 -0.198 0.000 1.285 61 A HN 0.021 nan 8.150 nan 0.000 0.405 62 P HA -0.210 nan 4.420 nan 0.000 0.215 62 P C 1.221 177.803 177.300 -1.197 0.000 1.157 62 P CA 1.895 63.991 63.100 -1.673 0.000 0.874 62 P CB 0.219 31.022 31.700 -1.496 0.000 0.790 63 E N -0.018 119.614 120.200 -0.948 0.000 2.478 63 E HA -0.042 4.309 4.350 0.002 0.000 0.198 63 E C 1.711 178.086 176.600 -0.376 0.000 1.046 63 E CA 1.385 57.297 56.400 -0.814 0.000 0.870 63 E CB -1.390 28.122 29.700 -0.314 0.000 0.818 63 E HN 0.225 nan 8.360 nan 0.000 0.527 64 G N 0.847 109.239 108.800 -0.680 0.000 2.985 64 G HA2 -0.013 3.948 3.960 0.002 0.000 0.209 64 G HA3 -0.013 3.948 3.960 0.002 0.000 0.209 64 G C 0.757 175.451 174.900 -0.343 0.000 1.165 64 G CA -0.518 43.988 45.100 -0.991 0.000 0.776 64 G HN 0.062 nan 8.290 nan 0.000 0.541 65 R N -0.402 120.004 120.500 -0.158 0.000 2.641 65 R HA 0.339 4.681 4.340 0.002 0.000 0.269 65 R C 1.066 177.516 176.300 0.249 0.000 1.074 65 R CA -0.341 55.798 56.100 0.065 0.000 1.133 65 R CB 1.003 31.369 30.300 0.108 0.000 1.029 65 R HN 0.092 nan 8.270 nan 0.000 0.488 66 I N 0.039 120.702 120.570 0.155 0.000 2.400 66 I HA -0.105 4.066 4.170 0.002 0.000 0.248 66 I C 1.227 177.473 176.117 0.215 0.000 1.109 66 I CA 0.972 62.362 61.300 0.151 0.000 1.425 66 I CB -0.016 38.047 38.000 0.105 0.000 1.094 66 I HN 0.710 nan 8.210 nan 0.000 0.425 67 T N -3.656 111.067 114.554 0.280 0.000 2.838 67 T HA 0.368 4.719 4.350 0.002 0.000 0.292 67 T C -2.436 172.490 174.700 0.376 0.000 1.113 67 T CA -1.697 60.555 62.100 0.253 0.000 1.008 67 T CB 1.622 70.606 68.868 0.195 0.000 1.259 67 T HN -0.313 nan 8.240 nan 0.000 0.520 68 P HA 0.172 nan 4.420 nan 0.000 0.234 68 P C 1.169 178.603 177.300 0.223 0.000 1.167 68 P CA 0.634 63.918 63.100 0.308 0.000 0.763 68 P CB -0.208 31.625 31.700 0.222 0.000 0.835 69 G N -2.131 106.796 108.800 0.211 0.000 3.233 69 G HA2 0.031 3.993 3.960 0.002 0.000 0.234 69 G HA3 0.031 3.993 3.960 0.002 0.000 0.234 69 G C 0.085 175.097 174.900 0.187 0.000 1.137 69 G CA -0.013 45.207 45.100 0.199 0.000 0.763 69 G HN 0.228 nan 8.290 nan 0.000 0.549 70 C N 1.442 120.848 119.300 0.176 0.000 2.605 70 C HA 0.676 5.138 4.460 0.002 0.000 0.404 70 C C 1.289 176.350 174.990 0.118 0.000 1.284 70 C CA -0.823 58.259 59.018 0.106 0.000 2.199 70 C CB 0.426 28.228 27.740 0.102 0.000 2.647 70 C HN 0.576 nan 8.230 nan 0.000 0.604 71 A N 2.386 125.257 122.820 0.085 0.000 2.386 71 A HA 0.663 4.984 4.320 0.002 0.000 0.248 71 A C 0.473 178.101 177.584 0.074 0.000 1.082 71 A CA 0.285 52.358 52.037 0.060 0.000 0.789 71 A CB 0.072 19.140 19.000 0.113 0.000 1.025 71 A HN 1.235 nan 8.150 nan 0.000 0.490 72 G N -1.222 107.560 108.800 -0.031 0.000 2.672 72 G HA2 0.559 4.521 3.960 0.002 0.000 0.292 72 G HA3 0.559 4.521 3.960 0.002 0.000 0.292 72 G C -0.722 174.028 174.900 -0.250 0.000 1.375 72 G CA -0.260 44.707 45.100 -0.221 0.000 0.890 72 G HN 1.034 nan 8.290 nan 0.000 0.476 73 I N 0.619 121.035 120.570 -0.258 0.000 3.064 73 I HA 0.221 4.393 4.170 0.002 0.000 0.323 73 I C 0.389 176.421 176.117 -0.142 0.000 1.501 73 I CA -0.732 60.493 61.300 -0.125 0.000 0.890 73 I CB 0.085 38.058 38.000 -0.045 0.000 1.602 73 I HN 0.685 nan 8.210 nan 0.000 0.586 74 W N 2.005 123.140 121.300 -0.276 0.000 3.292 74 W HA 0.436 5.097 4.660 0.002 0.000 0.263 74 W C 0.420 176.866 176.519 -0.121 0.000 1.318 74 W CA 0.009 57.219 57.345 -0.224 0.000 1.663 74 W CB -0.835 28.452 29.460 -0.288 0.000 1.114 74 W HN 0.230 nan 8.180 nan 0.000 0.706 75 S N -1.221 114.438 115.700 -0.069 0.000 2.570 75 S HA 0.240 4.711 4.470 0.002 0.000 0.270 75 S C 0.132 174.789 174.600 0.096 0.000 1.149 75 S CA -0.474 57.788 58.200 0.103 0.000 0.837 75 S CB 1.397 64.726 63.200 0.214 0.000 1.124 75 S HN -0.083 nan 8.310 nan 0.000 0.465 76 D N 1.452 121.906 120.400 0.089 0.000 2.218 76 D HA 0.067 4.708 4.640 0.002 0.000 0.204 76 D C 2.102 178.435 176.300 0.056 0.000 0.976 76 D CA 1.735 55.779 54.000 0.073 0.000 0.853 76 D CB -0.541 40.294 40.800 0.059 0.000 0.939 76 D HN 0.704 nan 8.370 nan 0.000 0.481 77 A N 0.131 122.971 122.820 0.032 0.000 1.930 77 A HA -0.192 4.129 4.320 0.002 0.000 0.217 77 A C 1.772 179.285 177.584 -0.118 0.000 1.175 77 A CA 1.374 53.380 52.037 -0.051 0.000 0.627 77 A CB -0.739 18.204 19.000 -0.095 0.000 0.815 77 A HN 0.261 nan 8.150 nan 0.000 0.443 78 H N -0.429 118.553 119.070 -0.146 0.000 2.389 78 H HA 0.110 4.668 4.556 0.002 0.000 0.299 78 H C 2.419 177.758 175.328 0.020 0.000 1.081 78 H CA 1.530 57.461 56.048 -0.194 0.000 1.345 78 H CB -0.110 29.410 29.762 -0.403 0.000 1.393 78 H HN 0.511 nan 8.280 nan 0.000 0.520 79 A N 0.485 123.433 122.820 0.214 0.000 1.930 79 A HA -0.237 4.084 4.320 0.002 0.000 0.217 79 A C 2.217 179.955 177.584 0.256 0.000 1.175 79 A CA 1.650 53.873 52.037 0.309 0.000 0.627 79 A CB -0.587 18.526 19.000 0.188 0.000 0.815 79 A HN 0.538 nan 8.150 nan 0.000 0.443 80 Q N -0.292 119.575 119.800 0.111 0.000 2.135 80 Q HA -0.160 4.182 4.340 0.002 0.000 0.204 80 Q C 2.048 178.063 176.000 0.024 0.000 0.981 80 Q CA 1.678 57.515 55.803 0.056 0.000 0.856 80 Q CB -0.386 28.355 28.738 0.005 0.000 0.902 80 Q HN 0.595 nan 8.270 nan 0.000 0.425 81 A N -0.221 122.568 122.820 -0.051 0.000 2.024 81 A HA -0.153 4.169 4.320 0.002 0.000 0.220 81 A C 1.527 179.007 177.584 -0.173 0.000 1.164 81 A CA 1.095 53.028 52.037 -0.174 0.000 0.643 81 A CB -0.682 18.113 19.000 -0.343 0.000 0.806 81 A HN 0.509 nan 8.150 nan 0.000 0.451 82 F N -0.900 119.072 119.950 0.036 0.000 2.512 82 F HA -0.015 4.513 4.527 0.002 0.000 0.296 82 F C 2.232 178.023 175.800 -0.015 0.000 1.110 82 F CA 0.666 58.709 58.000 0.071 0.000 1.446 82 F CB -0.307 38.823 39.000 0.217 0.000 1.092 82 F HN 0.006 nan 8.300 nan 0.000 0.554 83 V N 1.270 121.268 119.914 0.139 0.000 2.252 83 V HA -0.264 3.857 4.120 0.002 0.000 0.249 83 V C -0.292 175.817 176.094 0.025 0.000 1.056 83 V CA 2.182 64.505 62.300 0.040 0.000 1.022 83 V CB -1.708 30.134 31.823 0.031 0.000 0.641 83 V HN 0.184 nan 8.190 nan 0.000 0.445 84 P HA -0.072 nan 4.420 nan 0.000 0.218 84 P C 1.828 179.228 177.300 0.166 0.000 1.149 84 P CA 1.094 64.249 63.100 0.090 0.000 0.817 84 P CB -0.054 31.681 31.700 0.059 0.000 0.785 85 V N -0.683 119.332 119.914 0.169 0.000 2.323 85 V HA -0.169 3.952 4.120 0.002 0.000 0.244 85 V C 2.440 178.518 176.094 -0.026 0.000 1.041 85 V CA 1.564 63.914 62.300 0.083 0.000 1.025 85 V CB -1.266 30.648 31.823 0.150 0.000 0.656 85 V HN -0.042 nan 8.190 nan 0.000 0.451 86 V N -0.249 119.612 119.914 -0.088 0.000 2.332 86 V HA -0.345 3.777 4.120 0.002 0.000 0.248 86 V C 2.500 178.517 176.094 -0.130 0.000 1.055 86 V CA 2.176 64.330 62.300 -0.243 0.000 1.038 86 V CB -0.734 30.797 31.823 -0.488 0.000 0.651 86 V HN 0.570 nan 8.190 nan 0.000 0.450 87 Q N -0.551 119.206 119.800 -0.072 0.000 2.170 87 Q HA -0.126 4.215 4.340 0.002 0.000 0.203 87 Q C 2.348 178.335 176.000 -0.022 0.000 0.976 87 Q CA 1.637 57.418 55.803 -0.037 0.000 0.858 87 Q CB -0.353 28.377 28.738 -0.012 0.000 0.907 87 Q HN 0.698 nan 8.270 nan 0.000 0.433 88 A N 0.502 123.312 122.820 -0.017 0.000 1.929 88 A HA -0.121 4.201 4.320 0.002 0.000 0.216 88 A C 1.968 179.514 177.584 -0.063 0.000 1.176 88 A CA 0.856 52.872 52.037 -0.036 0.000 0.628 88 A CB -0.433 18.508 19.000 -0.099 0.000 0.816 88 A HN 0.293 nan 8.150 nan 0.000 0.444 89 I N -0.410 120.116 120.570 -0.074 0.000 2.226 89 I HA -0.267 3.904 4.170 0.002 0.000 0.245 89 I C 2.421 178.516 176.117 -0.036 0.000 1.100 89 I CA 1.512 62.778 61.300 -0.058 0.000 1.374 89 I CB -0.264 37.708 38.000 -0.047 0.000 1.057 89 I HN 0.277 nan 8.210 nan 0.000 0.413 90 K N 0.912 121.291 120.400 -0.036 0.000 2.097 90 K HA -0.114 4.207 4.320 0.002 0.000 0.206 90 K C 2.236 178.828 176.600 -0.014 0.000 1.049 90 K CA 1.414 57.689 56.287 -0.020 0.000 0.933 90 K CB -0.259 32.226 32.500 -0.024 0.000 0.717 90 K HN 0.298 nan 8.250 nan 0.000 0.442 91 A N 1.352 124.161 122.820 -0.018 0.000 2.019 91 A HA -0.091 4.231 4.320 0.002 0.000 0.219 91 A C 2.195 179.771 177.584 -0.013 0.000 1.164 91 A CA 1.756 53.785 52.037 -0.013 0.000 0.644 91 A CB -0.443 18.550 19.000 -0.011 0.000 0.805 91 A HN 0.330 nan 8.150 nan 0.000 0.449 92 A N -2.078 120.731 122.820 -0.017 0.000 2.218 92 A HA 0.415 4.737 4.320 0.002 0.000 0.209 92 A C 1.809 179.394 177.584 0.001 0.000 1.168 92 A CA 1.188 53.216 52.037 -0.015 0.000 0.804 92 A CB -0.754 18.233 19.000 -0.021 0.000 0.834 92 A HN 1.833 nan 8.150 nan 0.000 0.482 93 G N -1.129 107.674 108.800 0.005 0.000 2.157 93 G HA2 -0.215 3.747 3.960 0.002 0.000 0.248 93 G HA3 -0.215 3.747 3.960 0.002 0.000 0.248 93 G C 0.409 175.321 174.900 0.021 0.000 0.979 93 G CA 0.563 45.674 45.100 0.019 0.000 0.650 93 G HN 1.025 nan 8.290 nan 0.000 0.529 94 S N -0.994 114.710 115.700 0.007 0.000 2.654 94 S HA 0.674 5.145 4.470 0.002 0.000 0.283 94 S C 0.526 175.126 174.600 -0.001 0.000 1.180 94 S CA -0.221 57.978 58.200 -0.002 0.000 1.021 94 S CB 1.577 64.765 63.200 -0.021 0.000 1.018 94 S HN 0.795 nan 8.310 nan 0.000 0.532 95 V N 6.121 126.029 119.914 -0.009 0.000 2.461 95 V HA 0.378 4.499 4.120 0.002 0.000 0.275 95 V C -1.956 174.154 176.094 0.026 0.000 1.047 95 V CA -1.623 60.691 62.300 0.024 0.000 0.955 95 V CB 1.145 32.992 31.823 0.040 0.000 0.988 95 V HN 0.735 nan 8.190 nan 0.000 0.471 96 P HA 0.350 nan 4.420 nan 0.000 0.287 96 P C -0.170 177.366 177.300 0.394 0.000 1.294 96 P CA 0.172 63.375 63.100 0.172 0.000 0.776 96 P CB 1.595 33.323 31.700 0.046 0.000 0.889 97 G N 3.093 112.084 108.800 0.318 0.000 2.630 97 G HA2 0.736 4.697 3.960 0.002 0.000 0.296 97 G HA3 0.736 4.697 3.960 0.002 0.000 0.296 97 G C -1.619 173.300 174.900 0.032 0.000 1.285 97 G CA -0.862 44.410 45.100 0.285 0.000 0.958 97 G HN 0.580 nan 8.290 nan 0.000 0.479 98 I N -0.735 119.688 120.570 -0.245 0.000 2.752 98 I HA 0.411 4.582 4.170 0.002 0.000 0.295 98 I C -1.107 174.802 176.117 -0.347 0.000 1.219 98 I CA -0.787 60.200 61.300 -0.522 0.000 1.030 98 I CB 2.439 39.629 38.000 -1.351 0.000 1.259 98 I HN 0.520 nan 8.210 nan 0.000 0.423 99 Q N 7.863 127.510 119.800 -0.254 0.000 2.340 99 Q HA 0.516 4.857 4.340 0.002 0.000 0.259 99 Q C -1.183 174.710 176.000 -0.179 0.000 0.964 99 Q CA -0.771 54.918 55.803 -0.191 0.000 0.900 99 Q CB 1.194 29.843 28.738 -0.148 0.000 1.228 99 Q HN 0.649 nan 8.270 nan 0.000 0.449 100 I N 0.653 121.123 120.570 -0.167 0.000 2.428 100 I HA 0.906 5.078 4.170 0.002 0.000 0.296 100 I C -0.636 175.496 176.117 0.024 0.000 0.985 100 I CA -0.609 60.606 61.300 -0.142 0.000 1.260 100 I CB 1.688 39.567 38.000 -0.201 0.000 1.389 100 I HN 0.612 nan 8.210 nan 0.000 0.484 101 A N 4.202 126.999 122.820 -0.038 0.000 2.568 101 A HA 0.710 5.031 4.320 0.002 0.000 0.291 101 A C -1.603 176.006 177.584 0.041 0.000 1.159 101 A CA -0.486 51.635 52.037 0.141 0.000 0.679 101 A CB 1.681 20.804 19.000 0.204 0.000 1.285 101 A HN 0.892 nan 8.150 nan 0.000 0.428 102 H N -0.159 119.000 119.070 0.147 0.000 3.224 102 H HA 0.537 5.094 4.556 0.002 0.000 0.331 102 H C 0.407 175.814 175.328 0.132 0.000 1.002 102 H CA 0.166 56.295 56.048 0.134 0.000 1.473 102 H CB 1.766 31.707 29.762 0.299 0.000 1.830 102 H HN 0.870 nan 8.280 nan 0.000 0.485 103 A N 3.689 126.542 122.820 0.056 0.000 2.172 103 A HA 0.151 4.473 4.320 0.002 0.000 0.216 103 A C 1.744 179.597 177.584 0.448 0.000 1.154 103 A CA 1.370 53.476 52.037 0.115 0.000 0.701 103 A CB -0.607 18.395 19.000 0.002 0.000 0.789 103 A HN 1.179 nan 8.150 nan 0.000 0.465 104 G N 0.568 109.712 108.800 0.573 0.000 2.611 104 G HA2 -0.465 3.496 3.960 0.002 0.000 0.301 104 G HA3 -0.465 3.496 3.960 0.002 0.000 0.301 104 G C 1.041 176.114 174.900 0.287 0.000 1.233 104 G CA 1.337 46.676 45.100 0.398 0.000 0.993 104 G HN 1.171 nan 8.290 nan 0.000 0.553 105 R N 0.767 121.391 120.500 0.206 0.000 2.280 105 R HA 0.173 4.514 4.340 0.002 0.000 0.207 105 R C 1.810 178.247 176.300 0.228 0.000 1.043 105 R CA 1.640 57.847 56.100 0.178 0.000 1.006 105 R CB -0.171 30.211 30.300 0.137 0.000 0.885 105 R HN 0.476 nan 8.270 nan 0.000 0.467 106 K N 0.825 121.355 120.400 0.217 0.000 2.417 106 K HA 0.226 4.547 4.320 0.002 0.000 0.196 106 K C 0.390 177.098 176.600 0.181 0.000 1.023 106 K CA 0.087 56.442 56.287 0.114 0.000 1.122 106 K CB 0.806 33.367 32.500 0.102 0.000 0.850 106 K HN 0.237 nan 8.250 nan 0.000 0.521 107 A N 0.860 123.822 122.820 0.237 0.000 2.280 107 A HA 0.201 4.522 4.320 0.002 0.000 0.268 107 A C 0.696 178.233 177.584 -0.078 0.000 1.111 107 A CA 0.006 52.153 52.037 0.184 0.000 0.814 107 A CB 0.360 19.579 19.000 0.364 0.000 1.093 107 A HN 0.197 nan 8.150 nan 0.000 0.498 108 S N -2.376 112.992 115.700 -0.554 0.000 3.706 108 S HA -0.018 4.453 4.470 0.002 0.000 0.363 108 S C 0.079 174.423 174.600 -0.426 0.000 0.999 108 S CA 0.733 58.178 58.200 -1.259 0.000 1.143 108 S CB -1.778 60.514 63.200 -1.512 0.000 0.902 108 S HN 2.314 nan 8.310 nan 0.000 0.476 109 A N 1.193 123.884 122.820 -0.215 0.000 2.322 109 A HA 0.792 5.113 4.320 0.002 0.000 0.327 109 A C 0.081 177.585 177.584 -0.133 0.000 1.134 109 A CA -0.693 51.274 52.037 -0.117 0.000 0.831 109 A CB 0.696 19.615 19.000 -0.135 0.000 1.288 109 A HN 0.661 nan 8.150 nan 0.000 0.472 110 N N 0.069 118.683 118.700 -0.143 0.000 2.467 110 N HA 0.319 5.061 4.740 0.002 0.000 0.262 110 N C 0.036 175.365 175.510 -0.302 0.000 1.234 110 N CA -0.274 52.666 53.050 -0.184 0.000 0.952 110 N CB 0.460 38.847 38.487 -0.166 0.000 1.158 110 N HN 0.588 nan 8.380 nan 0.000 0.463 111 R N 1.415 121.644 120.500 -0.453 0.000 2.734 111 R HA -0.012 4.329 4.340 0.002 0.000 0.266 111 R C -1.564 174.192 176.300 -0.906 0.000 1.044 111 R CA -0.947 54.607 56.100 -0.910 0.000 1.128 111 R CB -0.022 29.534 30.300 -1.239 0.000 1.010 111 R HN 0.496 nan 8.270 nan 0.000 0.461 112 P HA -0.168 nan 4.420 nan 0.000 0.216 112 P C 0.292 177.417 177.300 -0.292 0.000 1.150 112 P CA 1.379 64.151 63.100 -0.546 0.000 0.843 112 P CB 0.024 31.470 31.700 -0.423 0.000 0.787 113 W N -0.772 120.395 121.300 -0.221 0.000 3.388 113 W HA 0.325 4.986 4.660 0.002 0.000 0.324 113 W C 0.130 176.577 176.519 -0.118 0.000 1.250 113 W CA -0.138 57.118 57.345 -0.147 0.000 1.809 113 W CB -0.896 28.483 29.460 -0.135 0.000 1.083 113 W HN -0.041 nan 8.180 nan 0.000 0.685 114 E N 0.324 120.366 120.200 -0.262 0.000 2.995 114 E HA 0.349 4.700 4.350 0.002 0.000 0.203 114 E C 1.298 177.813 176.600 -0.142 0.000 0.980 114 E CA 0.195 56.494 56.400 -0.169 0.000 1.172 114 E CB 0.627 30.181 29.700 -0.244 0.000 1.088 114 E HN 0.350 nan 8.360 nan 0.000 0.463 115 G N 1.799 110.529 108.800 -0.116 0.000 2.436 115 G HA2 -0.308 3.653 3.960 0.002 0.000 0.204 115 G HA3 -0.308 3.653 3.960 0.002 0.000 0.204 115 G C 0.565 175.408 174.900 -0.094 0.000 1.026 115 G CA -0.002 45.046 45.100 -0.086 0.000 0.658 115 G HN 0.379 nan 8.290 nan 0.000 0.499 116 D N 1.134 121.442 120.400 -0.153 0.000 3.059 116 D HA -0.147 4.494 4.640 0.002 0.000 0.213 116 D C 0.276 176.567 176.300 -0.015 0.000 1.144 116 D CA 2.303 56.223 54.000 -0.132 0.000 0.975 116 D CB -0.839 39.884 40.800 -0.129 0.000 1.125 116 D HN 0.954 nan 8.370 nan 0.000 0.412 117 D N -1.378 119.002 120.400 -0.033 0.000 2.449 117 D HA 0.287 4.928 4.640 0.002 0.000 0.250 117 D C 0.063 176.321 176.300 -0.070 0.000 1.050 117 D CA -0.547 53.442 54.000 -0.017 0.000 1.024 117 D CB 0.057 40.876 40.800 0.031 0.000 1.218 117 D HN 0.325 nan 8.370 nan 0.000 0.566 118 H N -0.607 118.403 119.070 -0.101 0.000 2.928 118 H HA 0.153 4.711 4.556 0.002 0.000 0.338 118 H C 0.293 175.538 175.328 -0.138 0.000 1.047 118 H CA -0.301 55.660 56.048 -0.146 0.000 1.435 118 H CB 0.586 30.266 29.762 -0.137 0.000 1.428 118 H HN 0.162 nan 8.280 nan 0.000 0.590 119 I N 2.819 123.370 120.570 -0.032 0.000 2.648 119 I HA -0.006 4.166 4.170 0.002 0.000 0.284 119 I C 0.849 176.914 176.117 -0.087 0.000 1.153 119 I CA -0.298 60.946 61.300 -0.093 0.000 1.426 119 I CB 0.616 38.515 38.000 -0.168 0.000 1.381 119 I HN 0.670 nan 8.210 nan 0.000 0.571 120 A N 4.954 127.739 122.820 -0.059 0.000 2.520 120 A HA 0.273 4.594 4.320 0.002 0.000 0.235 120 A C 1.380 178.927 177.584 -0.062 0.000 1.065 120 A CA 0.414 52.422 52.037 -0.049 0.000 0.764 120 A CB 0.261 19.242 19.000 -0.031 0.000 1.002 120 A HN 0.979 nan 8.150 nan 0.000 0.502 121 A N 1.345 124.130 122.820 -0.057 0.000 1.978 121 A HA -0.143 4.178 4.320 0.002 0.000 0.220 121 A C 1.346 178.909 177.584 -0.034 0.000 1.170 121 A CA 2.083 54.087 52.037 -0.055 0.000 0.636 121 A CB -0.667 18.305 19.000 -0.046 0.000 0.810 121 A HN 0.968 nan 8.150 nan 0.000 0.448 122 D N -1.022 119.364 120.400 -0.024 0.000 2.339 122 D HA 0.040 4.681 4.640 0.002 0.000 0.217 122 D C 0.153 176.449 176.300 -0.007 0.000 1.050 122 D CA -0.121 53.872 54.000 -0.012 0.000 0.856 122 D CB -0.138 40.656 40.800 -0.009 0.000 0.922 122 D HN 0.239 nan 8.370 nan 0.000 0.518 123 D N 0.943 121.334 120.400 -0.015 0.000 2.343 123 D HA -0.017 4.624 4.640 0.002 0.000 0.255 123 D C 1.352 177.658 176.300 0.010 0.000 1.187 123 D CA 0.185 54.181 54.000 -0.007 0.000 0.875 123 D CB 1.414 42.200 40.800 -0.023 0.000 1.136 123 D HN 0.153 nan 8.370 nan 0.000 0.469 124 T N 1.772 116.341 114.554 0.025 0.000 3.025 124 T HA -0.109 4.242 4.350 0.002 0.000 0.270 124 T C 1.512 176.256 174.700 0.075 0.000 1.126 124 T CA 0.783 62.909 62.100 0.044 0.000 1.105 124 T CB 0.005 68.897 68.868 0.040 0.000 0.884 124 T HN 0.400 nan 8.240 nan 0.000 0.522 125 R N 0.816 121.362 120.500 0.076 0.000 2.246 125 R HA 0.283 4.625 4.340 0.002 0.000 0.199 125 R C 1.646 178.068 176.300 0.203 0.000 0.984 125 R CA 0.269 56.450 56.100 0.135 0.000 1.015 125 R CB -0.115 30.247 30.300 0.104 0.000 0.930 125 R HN 0.482 nan 8.270 nan 0.000 0.475 126 G N 0.889 109.734 108.800 0.074 0.000 2.616 126 G HA2 0.249 4.210 3.960 0.002 0.000 0.268 126 G HA3 0.249 4.210 3.960 0.002 0.000 0.268 126 G C -0.839 174.163 174.900 0.171 0.000 1.213 126 G CA -0.445 44.627 45.100 -0.045 0.000 0.926 126 G HN 0.351 nan 8.290 nan 0.000 0.523 127 W N -1.201 120.074 121.300 -0.042 0.000 3.066 127 W HA 0.601 5.262 4.660 0.002 0.000 0.330 127 W C -0.690 175.792 176.519 -0.061 0.000 1.253 127 W CA -1.307 56.007 57.345 -0.052 0.000 1.187 127 W CB 0.879 30.302 29.460 -0.062 0.000 1.434 127 W HN 0.682 nan 8.180 nan 0.000 0.572 128 E N 1.729 122.060 120.200 0.218 0.000 2.360 128 E HA 0.330 4.682 4.350 0.002 0.000 0.269 128 E C 0.185 176.906 176.600 0.201 0.000 1.022 128 E CA 0.022 56.484 56.400 0.103 0.000 0.887 128 E CB 0.927 30.675 29.700 0.080 0.000 0.990 128 E HN 0.457 nan 8.360 nan 0.000 0.426 129 T N 2.430 117.021 114.554 0.063 0.000 2.922 129 T HA 0.548 4.899 4.350 0.002 0.000 0.285 129 T C 0.436 175.201 174.700 0.109 0.000 1.005 129 T CA -0.906 61.267 62.100 0.123 0.000 1.061 129 T CB 0.665 69.549 68.868 0.026 0.000 1.007 129 T HN 0.475 nan 8.240 nan 0.000 0.502 130 I N -1.160 119.501 120.570 0.152 0.000 2.646 130 I HA 0.936 5.107 4.170 0.002 0.000 0.299 130 I C -0.529 175.606 176.117 0.030 0.000 1.036 130 I CA -1.519 59.826 61.300 0.076 0.000 1.074 130 I CB 1.798 39.842 38.000 0.074 0.000 1.258 130 I HN 1.016 nan 8.210 nan 0.000 0.430 131 A N 4.625 127.407 122.820 -0.063 0.000 2.557 131 A HA 0.749 5.071 4.320 0.002 0.000 0.292 131 A C -2.644 174.740 177.584 -0.333 0.000 1.139 131 A CA -1.142 50.788 52.037 -0.178 0.000 0.665 131 A CB 0.793 19.731 19.000 -0.104 0.000 1.285 131 A HN 0.522 nan 8.150 nan 0.000 0.433 132 P HA 0.026 nan 4.420 nan 0.000 0.217 132 P C 0.302 177.426 177.300 -0.292 0.000 1.150 132 P CA 1.559 64.221 63.100 -0.730 0.000 0.832 132 P CB 0.219 31.295 31.700 -1.041 0.000 0.787 133 S N -2.059 113.515 115.700 -0.210 0.000 2.588 133 S HA 0.604 5.076 4.470 0.002 0.000 0.275 133 S C -0.581 173.977 174.600 -0.069 0.000 1.130 133 S CA -0.637 57.499 58.200 -0.106 0.000 0.855 133 S CB 1.832 64.984 63.200 -0.080 0.000 1.116 133 S HN -0.013 nan 8.310 nan 0.000 0.472 134 A N 1.868 124.663 122.820 -0.043 0.000 3.048 134 A HA 0.524 4.845 4.320 0.002 0.000 0.264 134 A C -0.543 177.032 177.584 -0.015 0.000 1.796 134 A CA 0.183 52.205 52.037 -0.026 0.000 1.445 134 A CB -1.281 17.707 19.000 -0.020 0.000 1.074 134 A HN 0.494 nan 8.150 nan 0.000 0.621 135 I N 0.718 121.282 120.570 -0.009 0.000 2.569 135 I HA 0.501 4.673 4.170 0.002 0.000 0.290 135 I C 0.434 176.570 176.117 0.032 0.000 1.088 135 I CA -0.319 60.984 61.300 0.006 0.000 1.047 135 I CB 1.932 39.934 38.000 0.003 0.000 1.237 135 I HN 0.391 nan 8.210 nan 0.000 0.421 136 A N 4.354 127.199 122.820 0.041 0.000 2.322 136 A HA 0.395 4.716 4.320 0.002 0.000 0.269 136 A C 0.698 178.350 177.584 0.113 0.000 1.094 136 A CA -0.146 51.946 52.037 0.090 0.000 0.807 136 A CB 0.064 19.111 19.000 0.079 0.000 1.047 136 A HN 0.778 nan 8.150 nan 0.000 0.487 137 F N 1.946 121.902 119.950 0.011 0.000 2.102 137 F HA 0.284 4.812 4.527 0.002 0.000 0.298 137 F C 1.336 177.121 175.800 -0.025 0.000 1.105 137 F CA 2.085 60.074 58.000 -0.019 0.000 1.239 137 F CB -0.222 38.742 39.000 -0.060 0.000 0.991 137 F HN 1.196 nan 8.300 nan 0.000 0.474 138 G N -0.594 108.279 108.800 0.121 0.000 2.500 138 G HA2 0.343 4.304 3.960 0.002 0.000 0.209 138 G HA3 0.343 4.304 3.960 0.002 0.000 0.209 138 G C 0.371 175.348 174.900 0.129 0.000 1.283 138 G CA 0.100 45.214 45.100 0.023 0.000 0.960 138 G HN 1.457 nan 8.290 nan 0.000 0.528 139 A N -1.654 121.220 122.820 0.090 0.000 5.395 139 A HA -0.246 4.075 4.320 0.002 0.000 0.324 139 A C 1.713 179.421 177.584 0.208 0.000 1.813 139 A CA 3.514 55.665 52.037 0.191 0.000 0.714 139 A CB -1.827 17.388 19.000 0.358 0.000 1.374 139 A HN 2.876 nan 8.150 nan 0.000 0.390 140 H N 0.422 119.556 119.070 0.107 0.000 2.556 140 H HA 0.419 4.976 4.556 0.002 0.000 0.268 140 H C 0.618 175.928 175.328 -0.030 0.000 0.996 140 H CA 1.214 57.277 56.048 0.026 0.000 1.157 140 H CB -0.551 29.200 29.762 -0.018 0.000 1.355 140 H HN 0.497 nan 8.280 nan 0.000 0.597 141 L N 3.113 124.137 121.223 -0.331 0.000 2.637 141 L HA 0.249 4.591 4.340 0.002 0.000 0.241 141 L C -1.834 175.130 176.870 0.156 0.000 1.398 141 L CA -1.434 53.167 54.840 -0.397 0.000 0.895 141 L CB 1.766 43.339 42.059 -0.810 0.000 1.183 141 L HN -0.018 nan 8.230 nan 0.000 0.497 142 P HA -0.069 nan 4.420 nan 0.000 0.236 142 P C 0.163 177.538 177.300 0.125 0.000 1.177 142 P CA 0.266 63.460 63.100 0.158 0.000 0.773 142 P CB 0.288 32.044 31.700 0.092 0.000 0.878 143 K N 0.841 121.318 120.400 0.128 0.000 2.451 143 K HA 0.156 4.478 4.320 0.002 0.000 0.280 143 K C -0.002 176.557 176.600 -0.069 0.000 1.020 143 K CA -0.022 56.167 56.287 -0.163 0.000 1.008 143 K CB 0.779 32.852 32.500 -0.712 0.000 0.917 143 K HN -0.072 nan 8.250 nan 0.000 0.478 144 V N 6.875 126.754 119.914 -0.059 0.000 2.432 144 V HA 0.110 4.231 4.120 0.002 0.000 0.271 144 V C -1.386 174.682 176.094 -0.043 0.000 1.046 144 V CA -1.399 60.886 62.300 -0.026 0.000 0.945 144 V CB 0.707 32.518 31.823 -0.020 0.000 0.992 144 V HN 0.743 nan 8.190 nan 0.000 0.471 145 P HA 0.270 nan 4.420 nan 0.000 0.276 145 P C -0.667 176.623 177.300 -0.017 0.000 1.252 145 P CA -0.825 62.265 63.100 -0.016 0.000 0.802 145 P CB 1.161 32.868 31.700 0.010 0.000 1.035 146 R N 0.943 121.439 120.500 -0.008 0.000 2.357 146 R HA 0.136 4.477 4.340 0.002 0.000 0.296 146 R C 0.314 176.601 176.300 -0.022 0.000 1.052 146 R CA -0.448 55.646 56.100 -0.010 0.000 0.988 146 R CB 0.403 30.705 30.300 0.003 0.000 1.025 146 R HN 0.494 nan 8.270 nan 0.000 0.469 147 E N 5.161 125.345 120.200 -0.027 0.000 2.351 147 E HA -0.023 4.328 4.350 0.002 0.000 0.266 147 E C -0.424 176.158 176.600 -0.030 0.000 1.031 147 E CA -0.082 56.293 56.400 -0.041 0.000 0.911 147 E CB 0.622 30.304 29.700 -0.030 0.000 0.986 147 E HN 0.508 nan 8.360 nan 0.000 0.446 148 M N 3.491 123.065 119.600 -0.044 0.000 2.245 148 M HA 0.032 4.513 4.480 0.002 0.000 0.344 148 M C 0.685 176.982 176.300 -0.004 0.000 1.170 148 M CA 0.181 55.468 55.300 -0.021 0.000 1.135 148 M CB 0.778 33.368 32.600 -0.017 0.000 1.574 148 M HN 0.592 nan 8.290 nan 0.000 0.452 149 T N -0.237 114.316 114.554 -0.002 0.000 2.824 149 T HA 0.379 4.730 4.350 0.002 0.000 0.277 149 T C 1.116 175.813 174.700 -0.006 0.000 0.975 149 T CA -0.955 61.149 62.100 0.006 0.000 0.966 149 T CB 0.752 69.625 68.868 0.009 0.000 1.054 149 T HN 0.654 nan 8.240 nan 0.000 0.533 150 L N 0.011 121.239 121.223 0.008 0.000 2.131 150 L HA -0.056 4.285 4.340 0.002 0.000 0.210 150 L C 2.291 179.152 176.870 -0.016 0.000 1.092 150 L CA 1.328 56.166 54.840 -0.005 0.000 0.759 150 L CB -0.592 41.499 42.059 0.054 0.000 0.903 150 L HN 0.677 nan 8.230 nan 0.000 0.435 151 D N -0.174 120.228 120.400 0.003 0.000 2.178 151 D HA -0.158 4.483 4.640 0.002 0.000 0.202 151 D C 1.822 178.123 176.300 0.003 0.000 0.974 151 D CA 0.887 54.891 54.000 0.007 0.000 0.841 151 D CB -0.085 40.723 40.800 0.013 0.000 0.953 151 D HN 0.236 nan 8.370 nan 0.000 0.478 152 D N 0.140 120.538 120.400 -0.004 0.000 2.117 152 D HA -0.084 4.557 4.640 0.002 0.000 0.197 152 D C 2.288 178.586 176.300 -0.004 0.000 0.987 152 D CA 0.462 54.462 54.000 -0.000 0.000 0.829 152 D CB -0.112 40.685 40.800 -0.004 0.000 0.961 152 D HN 0.274 nan 8.370 nan 0.000 0.460 153 I N 1.251 121.792 120.570 -0.049 0.000 2.179 153 I HA -0.261 3.910 4.170 0.002 0.000 0.242 153 I C 2.529 178.641 176.117 -0.009 0.000 1.088 153 I CA 1.028 62.275 61.300 -0.089 0.000 1.357 153 I CB -0.223 37.563 38.000 -0.357 0.000 1.051 153 I HN -0.081 nan 8.210 nan 0.000 0.409 154 A N 0.655 123.465 122.820 -0.016 0.000 1.902 154 A HA -0.231 4.091 4.320 0.002 0.000 0.217 154 A C 2.471 180.084 177.584 0.048 0.000 1.181 154 A CA 1.448 53.496 52.037 0.018 0.000 0.623 154 A CB -0.562 18.450 19.000 0.021 0.000 0.818 154 A HN 0.276 nan 8.150 nan 0.000 0.443 155 R N 0.059 120.587 120.500 0.048 0.000 2.066 155 R HA -0.087 4.255 4.340 0.002 0.000 0.232 155 R C 1.985 178.347 176.300 0.104 0.000 1.131 155 R CA 1.963 58.099 56.100 0.060 0.000 0.955 155 R CB -0.830 29.494 30.300 0.041 0.000 0.851 155 R HN 0.336 nan 8.270 nan 0.000 0.432 156 V N 1.842 121.839 119.914 0.138 0.000 2.407 156 V HA -0.218 3.904 4.120 0.002 0.000 0.248 156 V C 2.456 178.770 176.094 0.367 0.000 1.055 156 V CA 1.826 64.276 62.300 0.250 0.000 1.049 156 V CB -0.402 31.570 31.823 0.250 0.000 0.662 156 V HN 0.350 nan 8.190 nan 0.000 0.455 157 K N -0.276 120.273 120.400 0.248 0.000 2.057 157 K HA -0.265 4.057 4.320 0.002 0.000 0.207 157 K C 2.285 178.986 176.600 0.168 0.000 1.049 157 K CA 1.734 58.106 56.287 0.142 0.000 0.931 157 K CB -0.190 32.305 32.500 -0.010 0.000 0.714 157 K HN 0.330 nan 8.250 nan 0.000 0.440 158 Q N 1.444 121.321 119.800 0.128 0.000 2.167 158 Q HA -0.152 4.190 4.340 0.002 0.000 0.202 158 Q C 1.253 177.325 176.000 0.119 0.000 0.970 158 Q CA 1.657 57.522 55.803 0.103 0.000 0.855 158 Q CB -0.049 28.733 28.738 0.073 0.000 0.911 158 Q HN 0.197 nan 8.270 nan 0.000 0.438 159 D N -0.834 119.648 120.400 0.137 0.000 2.144 159 D HA -0.134 4.508 4.640 0.002 0.000 0.199 159 D C 1.414 177.743 176.300 0.048 0.000 0.984 159 D CA 0.898 54.947 54.000 0.082 0.000 0.834 159 D CB -0.239 40.599 40.800 0.063 0.000 0.955 159 D HN 0.288 nan 8.370 nan 0.000 0.465 160 F N 0.633 120.621 119.950 0.062 0.000 2.146 160 F HA -0.155 4.373 4.527 0.002 0.000 0.298 160 F C 2.476 178.276 175.800 0.000 0.000 1.096 160 F CA 0.557 58.573 58.000 0.027 0.000 1.275 160 F CB -0.373 38.632 39.000 0.009 0.000 1.008 160 F HN -0.175 nan 8.300 nan 0.000 0.480 161 V N -0.097 119.932 119.914 0.192 0.000 2.295 161 V HA -0.297 3.824 4.120 0.002 0.000 0.246 161 V C 1.943 178.094 176.094 0.096 0.000 1.049 161 V CA 2.081 64.452 62.300 0.119 0.000 1.024 161 V CB -0.560 31.317 31.823 0.090 0.000 0.648 161 V HN 0.251 nan 8.190 nan 0.000 0.447 162 D N 0.427 120.876 120.400 0.082 0.000 2.144 162 D HA -0.127 4.515 4.640 0.002 0.000 0.199 162 D C 2.219 178.553 176.300 0.055 0.000 0.984 162 D CA 1.641 55.682 54.000 0.069 0.000 0.834 162 D CB -0.295 40.544 40.800 0.066 0.000 0.955 162 D HN 0.454 nan 8.370 nan 0.000 0.465 163 A N 1.085 123.918 122.820 0.021 0.000 1.902 163 A HA -0.031 4.290 4.320 0.002 0.000 0.217 163 A C 2.325 179.905 177.584 -0.006 0.000 1.181 163 A CA 2.119 54.139 52.037 -0.029 0.000 0.623 163 A CB -0.609 18.314 19.000 -0.129 0.000 0.818 163 A HN 0.240 nan 8.150 nan 0.000 0.443 164 A N -0.663 122.176 122.820 0.033 0.000 1.898 164 A HA -0.126 4.195 4.320 0.002 0.000 0.216 164 A C 2.273 179.998 177.584 0.235 0.000 1.181 164 A CA 1.542 53.632 52.037 0.089 0.000 0.620 164 A CB -0.486 18.566 19.000 0.087 0.000 0.819 164 A HN 0.385 nan 8.150 nan 0.000 0.442 165 R N 0.253 120.853 120.500 0.167 0.000 2.081 165 R HA -0.081 4.261 4.340 0.002 0.000 0.235 165 R C 2.214 178.599 176.300 0.142 0.000 1.131 165 R CA 1.717 57.907 56.100 0.151 0.000 0.960 165 R CB -0.461 29.899 30.300 0.101 0.000 0.856 165 R HN 0.597 nan 8.270 nan 0.000 0.436 166 R N -0.307 120.265 120.500 0.120 0.000 2.075 166 R HA -0.031 4.310 4.340 0.002 0.000 0.232 166 R C 2.342 178.747 176.300 0.175 0.000 1.126 166 R CA 1.336 57.508 56.100 0.120 0.000 0.963 166 R CB -0.361 29.993 30.300 0.090 0.000 0.858 166 R HN 0.228 nan 8.270 nan 0.000 0.435 167 A N 1.377 124.309 122.820 0.187 0.000 1.902 167 A HA -0.204 4.117 4.320 0.002 0.000 0.217 167 A C 2.146 180.022 177.584 0.486 0.000 1.181 167 A CA 1.381 53.610 52.037 0.320 0.000 0.623 167 A CB -0.508 18.539 19.000 0.079 0.000 0.818 167 A HN 0.241 nan 8.150 nan 0.000 0.443 168 R N -0.273 120.480 120.500 0.422 0.000 2.080 168 R HA -0.180 4.162 4.340 0.002 0.000 0.236 168 R C 1.208 177.567 176.300 0.097 0.000 1.137 168 R CA 2.005 58.217 56.100 0.188 0.000 0.943 168 R CB -0.447 29.875 30.300 0.037 0.000 0.846 168 R HN 0.414 nan 8.270 nan 0.000 0.431 169 D N 0.073 120.535 120.400 0.102 0.000 2.264 169 D HA -0.073 4.568 4.640 0.002 0.000 0.208 169 D C 1.378 177.719 176.300 0.068 0.000 0.966 169 D CA 1.140 55.177 54.000 0.062 0.000 0.864 169 D CB 0.030 40.865 40.800 0.059 0.000 0.933 169 D HN 0.411 nan 8.370 nan 0.000 0.499 170 A N -0.361 122.531 122.820 0.119 0.000 2.169 170 A HA 0.389 4.711 4.320 0.002 0.000 0.212 170 A C 1.841 179.397 177.584 -0.047 0.000 1.153 170 A CA 1.219 53.303 52.037 0.078 0.000 0.756 170 A CB 0.030 19.140 19.000 0.184 0.000 0.813 170 A HN 0.261 nan 8.150 nan 0.000 0.471 171 G N -2.316 106.477 108.800 -0.011 0.000 2.184 171 G HA2 -0.186 3.775 3.960 0.002 0.000 0.206 171 G HA3 -0.186 3.775 3.960 0.002 0.000 0.206 171 G C 0.009 174.875 174.900 -0.057 0.000 0.995 171 G CA -0.184 44.873 45.100 -0.071 0.000 0.651 171 G HN 0.253 nan 8.290 nan 0.000 0.511 172 F N 1.568 121.589 119.950 0.117 0.000 2.563 172 F HA 0.393 4.921 4.527 0.002 0.000 0.363 172 F C 1.605 177.561 175.800 0.259 0.000 1.123 172 F CA 0.913 59.028 58.000 0.192 0.000 1.307 172 F CB 0.649 39.783 39.000 0.223 0.000 1.115 172 F HN 0.163 nan 8.300 nan 0.000 0.592 173 E N 2.086 122.571 120.200 0.475 0.000 2.538 173 E HA 0.029 4.380 4.350 0.002 0.000 0.207 173 E C -0.791 176.179 176.600 0.617 0.000 1.002 173 E CA -0.017 56.618 56.400 0.392 0.000 0.952 173 E CB 0.847 30.695 29.700 0.247 0.000 1.031 173 E HN 0.490 nan 8.360 nan 0.000 0.476 174 W N 1.166 122.746 121.300 0.466 0.000 3.624 174 W HA 0.477 5.138 4.660 0.002 0.000 0.312 174 W C -2.260 174.265 176.519 0.009 0.000 1.203 174 W CA -0.768 56.746 57.345 0.282 0.000 1.225 174 W CB 0.961 30.513 29.460 0.154 0.000 1.321 174 W HN -0.153 nan 8.180 nan 0.000 0.506 175 I N 4.559 124.938 120.570 -0.318 0.000 2.608 175 I HA 0.413 4.585 4.170 0.002 0.000 0.295 175 I C -1.044 174.783 176.117 -0.484 0.000 1.049 175 I CA -0.471 60.459 61.300 -0.616 0.000 1.063 175 I CB 2.243 39.347 38.000 -1.494 0.000 1.248 175 I HN 0.490 nan 8.210 nan 0.000 0.424 176 E N 7.703 127.708 120.200 -0.325 0.000 2.244 176 E HA 0.388 4.739 4.350 0.002 0.000 0.260 176 E C -1.715 174.692 176.600 -0.322 0.000 0.884 176 E CA -0.676 55.563 56.400 -0.268 0.000 0.777 176 E CB 1.513 31.166 29.700 -0.078 0.000 1.197 176 E HN 0.575 nan 8.360 nan 0.000 0.416 177 L N 4.039 124.982 121.223 -0.466 0.000 2.319 177 L HA 0.200 4.541 4.340 0.002 0.000 0.280 177 L C 0.325 176.886 176.870 -0.516 0.000 1.099 177 L CA -0.618 53.869 54.840 -0.589 0.000 0.828 177 L CB 0.409 41.779 42.059 -1.149 0.000 1.150 177 L HN 0.521 nan 8.230 nan 0.000 0.442 178 H N 4.563 123.487 119.070 -0.243 0.000 3.118 178 H HA 0.144 4.702 4.556 0.002 0.000 0.266 178 H C -0.325 175.151 175.328 0.247 0.000 1.465 178 H CA -0.676 55.377 56.048 0.008 0.000 1.460 178 H CB 0.019 29.871 29.762 0.150 0.000 1.661 178 H HN 0.307 nan 8.280 nan 0.000 0.516 179 F N 2.027 122.218 119.950 0.401 0.000 2.730 179 F HA 0.440 4.969 4.527 0.002 0.000 0.295 179 F C 0.908 177.000 175.800 0.486 0.000 1.143 179 F CA -0.290 57.926 58.000 0.360 0.000 1.367 179 F CB -0.602 38.512 39.000 0.190 0.000 0.970 179 F HN 0.460 nan 8.300 nan 0.000 0.514 180 A N -1.861 121.339 122.820 0.633 0.000 2.443 180 A HA 0.650 4.972 4.320 0.002 0.000 0.278 180 A C 0.122 177.925 177.584 0.365 0.000 1.252 180 A CA -0.582 51.714 52.037 0.433 0.000 0.816 180 A CB 0.418 19.537 19.000 0.199 0.000 1.369 180 A HN 0.534 nan 8.150 nan 0.000 0.446 181 H N -1.195 118.111 119.070 0.393 0.000 2.861 181 H HA -0.211 4.346 4.556 0.002 0.000 0.289 181 H C 1.247 176.452 175.328 -0.204 0.000 1.176 181 H CA 1.006 57.207 56.048 0.255 0.000 1.146 181 H CB -1.463 28.462 29.762 0.272 0.000 1.330 181 H HN 2.271 nan 8.280 nan 0.000 0.379 182 G N -1.663 107.201 108.800 0.108 0.000 2.162 182 G HA2 -0.382 3.579 3.960 0.002 0.000 0.260 182 G HA3 -0.382 3.579 3.960 0.002 0.000 0.260 182 G C 0.128 175.013 174.900 -0.026 0.000 0.976 182 G CA 0.695 45.825 45.100 0.051 0.000 0.655 182 G HN 0.503 nan 8.290 nan 0.000 0.533 183 Y N -1.091 119.330 120.300 0.200 0.000 2.330 183 Y HA 0.557 5.108 4.550 0.002 0.000 0.387 183 Y C 1.894 177.928 175.900 0.223 0.000 1.365 183 Y CA -0.546 57.651 58.100 0.161 0.000 1.828 183 Y CB -0.547 37.943 38.460 0.049 0.000 1.696 183 Y HN 0.026 nan 8.280 nan 0.000 0.616 184 L N 1.094 122.595 121.223 0.463 0.000 1.978 184 L HA -0.187 4.154 4.340 0.002 0.000 0.218 184 L C 2.240 179.353 176.870 0.404 0.000 1.075 184 L CA 2.564 57.606 54.840 0.337 0.000 0.767 184 L CB -1.400 40.842 42.059 0.306 0.000 0.890 184 L HN 0.852 nan 8.230 nan 0.000 0.434 185 G N -1.901 107.238 108.800 0.564 0.000 2.459 185 G HA2 -0.398 3.563 3.960 0.002 0.000 0.217 185 G HA3 -0.398 3.563 3.960 0.002 0.000 0.217 185 G C 1.497 176.673 174.900 0.459 0.000 1.183 185 G CA 0.970 46.393 45.100 0.538 0.000 0.776 185 G HN 0.499 nan 8.290 nan 0.000 0.552 186 Q N 1.228 121.319 119.800 0.485 0.000 2.096 186 Q HA -0.131 4.210 4.340 0.002 0.000 0.204 186 Q C 2.726 178.967 176.000 0.401 0.000 0.982 186 Q CA 2.245 58.337 55.803 0.482 0.000 0.850 186 Q CB -0.392 28.588 28.738 0.405 0.000 0.901 186 Q HN 0.558 nan 8.270 nan 0.000 0.422 187 S N -1.269 114.604 115.700 0.289 0.000 2.447 187 S HA -0.098 4.374 4.470 0.002 0.000 0.233 187 S C 1.655 176.299 174.600 0.072 0.000 1.006 187 S CA 0.748 59.038 58.200 0.151 0.000 0.957 187 S CB -0.530 62.700 63.200 0.050 0.000 0.773 187 S HN 0.393 nan 8.310 nan 0.000 0.507 188 F N 0.522 120.544 119.950 0.119 0.000 2.293 188 F HA 0.247 4.775 4.527 0.002 0.000 0.297 188 F C 1.898 177.804 175.800 0.177 0.000 1.089 188 F CA 0.455 58.506 58.000 0.084 0.000 1.377 188 F CB -0.408 38.615 39.000 0.038 0.000 1.051 188 F HN 0.263 nan 8.300 nan 0.000 0.511 189 F N -0.105 120.015 119.950 0.283 0.000 2.234 189 F HA 0.081 4.609 4.527 0.002 0.000 0.296 189 F C 1.624 177.537 175.800 0.189 0.000 1.089 189 F CA 0.412 58.548 58.000 0.226 0.000 1.343 189 F CB -0.482 38.709 39.000 0.318 0.000 1.040 189 F HN -0.267 nan 8.300 nan 0.000 0.498 190 S N 0.693 116.514 115.700 0.202 0.000 2.528 190 S HA 0.045 4.516 4.470 0.002 0.000 0.277 190 S C 1.072 175.666 174.600 -0.010 0.000 1.297 190 S CA -0.398 57.850 58.200 0.081 0.000 1.052 190 S CB 0.555 63.885 63.200 0.216 0.000 0.917 190 S HN 0.432 nan 8.310 nan 0.000 0.492 191 E N 2.920 123.049 120.200 -0.118 0.000 2.338 191 E HA -0.120 4.231 4.350 0.002 0.000 0.197 191 E C 1.144 177.674 176.600 -0.116 0.000 1.007 191 E CA 0.605 56.921 56.400 -0.140 0.000 0.849 191 E CB -0.021 29.558 29.700 -0.200 0.000 0.774 191 E HN 0.703 nan 8.360 nan 0.000 0.506 192 H N -0.180 118.875 119.070 -0.025 0.000 2.357 192 H HA -0.048 4.509 4.556 0.002 0.000 0.301 192 H C 2.359 177.675 175.328 -0.021 0.000 1.082 192 H CA 1.821 57.856 56.048 -0.022 0.000 1.342 192 H CB 0.185 29.940 29.762 -0.012 0.000 1.389 192 H HN 0.191 nan 8.280 nan 0.000 0.511 193 S N -0.394 115.377 115.700 0.118 0.000 2.502 193 S HA 0.004 4.475 4.470 0.002 0.000 0.215 193 S C 0.852 175.429 174.600 -0.038 0.000 1.009 193 S CA -0.407 57.818 58.200 0.041 0.000 0.908 193 S CB 0.337 63.571 63.200 0.056 0.000 0.801 193 S HN 0.097 nan 8.310 nan 0.000 0.505 194 N N 2.043 120.719 118.700 -0.040 0.000 2.485 194 N HA 0.305 5.046 4.740 0.002 0.000 0.243 194 N C -0.369 175.115 175.510 -0.043 0.000 0.987 194 N CA -0.203 52.804 53.050 -0.073 0.000 0.940 194 N CB 0.860 39.324 38.487 -0.040 0.000 1.122 194 N HN 0.053 nan 8.380 nan 0.000 0.509 195 K N 2.597 122.972 120.400 -0.042 0.000 2.478 195 K HA 0.220 4.541 4.320 0.002 0.000 0.205 195 K C 0.197 176.790 176.600 -0.011 0.000 1.033 195 K CA -0.249 56.023 56.287 -0.026 0.000 1.091 195 K CB 0.700 33.186 32.500 -0.024 0.000 0.844 195 K HN 0.424 nan 8.250 nan 0.000 0.507 196 R N 0.913 121.415 120.500 0.002 0.000 2.734 196 R HA 0.042 4.384 4.340 0.002 0.000 0.266 196 R C 1.087 177.409 176.300 0.037 0.000 1.044 196 R CA 0.665 56.785 56.100 0.034 0.000 1.128 196 R CB 0.195 30.549 30.300 0.089 0.000 1.010 196 R HN 0.099 nan 8.270 nan 0.000 0.461 197 T N -3.352 111.225 114.554 0.039 0.000 3.084 197 T HA 0.040 4.391 4.350 0.002 0.000 0.270 197 T C 0.165 174.887 174.700 0.035 0.000 1.008 197 T CA -0.456 61.660 62.100 0.027 0.000 0.900 197 T CB -0.113 68.764 68.868 0.016 0.000 1.084 197 T HN 0.643 nan 8.240 nan 0.000 0.538 198 D N 1.685 122.124 120.400 0.065 0.000 2.511 198 D HA 0.550 5.191 4.640 0.002 0.000 0.283 198 D C 1.737 178.060 176.300 0.038 0.000 1.198 198 D CA -0.369 53.672 54.000 0.070 0.000 1.097 198 D CB -0.052 40.821 40.800 0.122 0.000 1.160 198 D HN 0.025 nan 8.370 nan 0.000 0.589 199 A N -1.623 121.196 122.820 -0.002 0.000 2.178 199 A HA -0.095 4.226 4.320 0.002 0.000 0.218 199 A C 1.058 178.408 177.584 -0.390 0.000 1.157 199 A CA 0.874 52.786 52.037 -0.209 0.000 0.689 199 A CB -1.002 17.809 19.000 -0.315 0.000 0.787 199 A HN 0.522 nan 8.150 nan 0.000 0.465 200 Y N -0.932 119.403 120.300 0.059 0.000 2.555 200 Y HA 0.439 4.990 4.550 0.002 0.000 0.259 200 Y C 1.161 177.148 175.900 0.146 0.000 1.179 200 Y CA 0.053 58.218 58.100 0.108 0.000 1.230 200 Y CB 0.487 39.051 38.460 0.173 0.000 1.146 200 Y HN 0.294 nan 8.280 nan 0.000 0.526 201 G N -1.944 106.944 108.800 0.147 0.000 2.692 201 G HA2 0.516 4.477 3.960 0.002 0.000 0.291 201 G HA3 0.516 4.477 3.960 0.002 0.000 0.291 201 G C 0.149 175.067 174.900 0.030 0.000 1.423 201 G CA -0.162 44.996 45.100 0.098 0.000 0.843 201 G HN 0.332 nan 8.290 nan 0.000 0.486 202 G N 0.032 108.836 108.800 0.007 0.000 3.597 202 G HA2 0.038 4.000 3.960 0.002 0.000 0.256 202 G HA3 0.038 4.000 3.960 0.002 0.000 0.256 202 G C 1.135 176.026 174.900 -0.015 0.000 1.792 202 G CA 0.755 45.849 45.100 -0.009 0.000 1.219 202 G HN 2.327 nan 8.290 nan 0.000 0.577 203 S N 0.756 116.452 115.700 -0.007 0.000 2.617 203 S HA 0.528 4.999 4.470 0.002 0.000 0.259 203 S C 1.151 175.770 174.600 0.033 0.000 1.301 203 S CA 0.729 58.940 58.200 0.019 0.000 0.984 203 S CB 1.038 64.251 63.200 0.021 0.000 0.954 203 S HN 1.556 nan 8.310 nan 0.000 0.572 204 F N 1.222 121.133 119.950 -0.065 0.000 2.134 204 F HA -0.061 4.468 4.527 0.003 0.000 0.299 204 F C 1.717 177.515 175.800 -0.004 0.000 1.097 204 F CA 1.992 59.957 58.000 -0.058 0.000 1.264 204 F CB -0.700 38.282 39.000 -0.031 0.000 1.001 204 F HN 0.581 nan 8.300 nan 0.000 0.479 205 D N 0.296 120.614 120.400 -0.136 0.000 2.117 205 D HA -0.172 4.470 4.640 0.002 0.000 0.197 205 D C 1.880 178.046 176.300 -0.223 0.000 0.987 205 D CA 1.309 55.165 54.000 -0.241 0.000 0.829 205 D CB -0.509 40.245 40.800 -0.077 0.000 0.961 205 D HN 0.303 nan 8.370 nan 0.000 0.460 206 N N 0.479 119.093 118.700 -0.142 0.000 2.142 206 N HA -0.038 4.703 4.740 0.002 0.000 0.186 206 N C 1.750 177.226 175.510 -0.056 0.000 1.023 206 N CA 0.579 53.551 53.050 -0.130 0.000 0.852 206 N CB -0.122 38.317 38.487 -0.080 0.000 0.998 206 N HN 0.155 nan 8.380 nan 0.000 0.424 207 R N -0.063 120.412 120.500 -0.041 0.000 2.148 207 R HA 0.128 4.469 4.340 0.002 0.000 0.227 207 R C 1.681 178.056 176.300 0.125 0.000 1.103 207 R CA 0.885 57.017 56.100 0.054 0.000 0.983 207 R CB -0.018 30.235 30.300 -0.077 0.000 0.874 207 R HN 0.125 nan 8.270 nan 0.000 0.451 208 S N 0.224 115.888 115.700 -0.061 0.000 2.470 208 S HA -0.004 4.467 4.470 0.002 0.000 0.225 208 S C 1.624 176.142 174.600 -0.137 0.000 1.006 208 S CA 0.254 58.386 58.200 -0.112 0.000 0.934 208 S CB 0.031 62.940 63.200 -0.484 0.000 0.778 208 S HN 0.283 nan 8.310 nan 0.000 0.517 209 R N 0.655 121.083 120.500 -0.120 0.000 2.112 209 R HA -0.192 4.150 4.340 0.002 0.000 0.242 209 R C 2.040 178.321 176.300 -0.030 0.000 1.137 209 R CA 1.903 57.931 56.100 -0.120 0.000 0.944 209 R CB -0.485 29.654 30.300 -0.269 0.000 0.857 209 R HN 0.442 nan 8.270 nan 0.000 0.435 210 F N 1.016 120.900 119.950 -0.111 0.000 2.095 210 F HA -0.216 4.312 4.527 0.002 0.000 0.298 210 F C 1.696 177.250 175.800 -0.410 0.000 1.104 210 F CA 1.526 59.312 58.000 -0.356 0.000 1.232 210 F CB -0.317 38.071 39.000 -1.019 0.000 0.987 210 F HN -0.008 nan 8.300 nan 0.000 0.475 211 L N 0.061 120.986 121.223 -0.497 0.000 2.056 211 L HA -0.198 4.144 4.340 0.002 0.000 0.207 211 L C 2.432 179.050 176.870 -0.421 0.000 1.078 211 L CA 1.473 55.815 54.840 -0.830 0.000 0.749 211 L CB -1.138 40.475 42.059 -0.744 0.000 0.901 211 L HN 0.172 nan 8.230 nan 0.000 0.433 212 L N -0.953 120.145 121.223 -0.209 0.000 2.056 212 L HA -0.176 4.165 4.340 0.002 0.000 0.207 212 L C 2.535 179.322 176.870 -0.138 0.000 1.078 212 L CA 1.180 55.969 54.840 -0.085 0.000 0.749 212 L CB -0.510 41.491 42.059 -0.097 0.000 0.901 212 L HN 0.335 nan 8.230 nan 0.000 0.433 213 E N -0.602 119.480 120.200 -0.197 0.000 2.106 213 E HA -0.158 4.194 4.350 0.002 0.000 0.192 213 E C 2.091 178.550 176.600 -0.235 0.000 0.984 213 E CA 1.576 57.873 56.400 -0.170 0.000 0.806 213 E CB -0.061 29.570 29.700 -0.114 0.000 0.750 213 E HN 0.435 nan 8.360 nan 0.000 0.458 214 T N 1.665 115.966 114.554 -0.422 0.000 2.777 214 T HA -0.123 4.228 4.350 0.002 0.000 0.266 214 T C 1.844 176.406 174.700 -0.230 0.000 1.040 214 T CA 0.702 62.539 62.100 -0.438 0.000 1.141 214 T CB -0.178 68.195 68.868 -0.825 0.000 0.868 214 T HN 0.041 nan 8.240 nan 0.000 0.444 215 L N 1.586 122.710 121.223 -0.166 0.000 2.017 215 L HA 0.072 4.414 4.340 0.002 0.000 0.208 215 L C 2.585 179.397 176.870 -0.096 0.000 1.073 215 L CA 1.968 56.730 54.840 -0.130 0.000 0.745 215 L CB -1.029 40.962 42.059 -0.114 0.000 0.894 215 L HN 0.209 nan 8.230 nan 0.000 0.432 216 A N -0.506 122.267 122.820 -0.078 0.000 1.902 216 A HA -0.078 4.243 4.320 0.002 0.000 0.217 216 A C 2.441 180.004 177.584 -0.035 0.000 1.181 216 A CA 1.791 53.800 52.037 -0.046 0.000 0.623 216 A CB -1.160 17.815 19.000 -0.043 0.000 0.818 216 A HN 0.595 nan 8.150 nan 0.000 0.443 217 A N -0.671 122.119 122.820 -0.050 0.000 1.898 217 A HA 0.028 4.349 4.320 0.002 0.000 0.216 217 A C 2.211 179.799 177.584 0.007 0.000 1.181 217 A CA 1.694 53.719 52.037 -0.021 0.000 0.620 217 A CB -0.856 18.125 19.000 -0.031 0.000 0.819 217 A HN 0.370 nan 8.150 nan 0.000 0.442 218 V N -0.010 119.899 119.914 -0.009 0.000 2.427 218 V HA -0.222 3.899 4.120 0.002 0.000 0.248 218 V C 2.596 178.731 176.094 0.068 0.000 1.051 218 V CA 2.115 64.429 62.300 0.023 0.000 1.048 218 V CB -0.776 31.019 31.823 -0.048 0.000 0.666 218 V HN 0.635 nan 8.190 nan 0.000 0.456 219 R N 0.080 120.600 120.500 0.034 0.000 2.159 219 R HA -0.192 4.149 4.340 0.002 0.000 0.237 219 R C 2.139 178.485 176.300 0.076 0.000 1.131 219 R CA 1.602 57.743 56.100 0.069 0.000 0.982 219 R CB -0.122 30.191 30.300 0.022 0.000 0.868 219 R HN 0.637 nan 8.270 nan 0.000 0.453 220 E N -0.319 119.912 120.200 0.053 0.000 2.268 220 E HA -0.127 4.224 4.350 0.002 0.000 0.195 220 E C 1.695 178.326 176.600 0.052 0.000 0.995 220 E CA 1.440 57.865 56.400 0.041 0.000 0.836 220 E CB 0.300 30.017 29.700 0.029 0.000 0.763 220 E HN 0.380 nan 8.360 nan 0.000 0.491 221 V N -3.179 116.788 119.914 0.090 0.000 3.635 221 V HA 0.169 4.290 4.120 0.002 0.000 0.266 221 V C 0.596 176.769 176.094 0.133 0.000 1.316 221 V CA -0.629 61.727 62.300 0.094 0.000 1.060 221 V CB -0.115 31.771 31.823 0.105 0.000 0.820 221 V HN 0.195 nan 8.190 nan 0.000 0.447 222 W N 3.308 124.593 121.300 -0.025 0.000 2.322 222 W HA 0.457 5.118 4.660 0.002 0.000 0.307 222 W C -2.703 173.795 176.519 -0.035 0.000 1.220 222 W CA -2.341 54.984 57.345 -0.033 0.000 1.210 222 W CB 1.242 30.668 29.460 -0.057 0.000 1.223 222 W HN 0.158 nan 8.180 nan 0.000 0.511 223 P HA -0.150 nan 4.420 nan 0.000 0.261 223 P C 0.544 177.645 177.300 -0.332 0.000 1.173 223 P CA 0.770 63.574 63.100 -0.494 0.000 0.760 223 P CB 0.654 31.993 31.700 -0.602 0.000 0.783 224 E N 3.546 123.654 120.200 -0.154 0.000 2.204 224 E HA -0.213 4.138 4.350 0.002 0.000 0.195 224 E C 1.342 177.898 176.600 -0.074 0.000 0.990 224 E CA 1.398 57.756 56.400 -0.070 0.000 0.821 224 E CB -0.364 29.306 29.700 -0.050 0.000 0.750 224 E HN 0.424 nan 8.360 nan 0.000 0.477 225 N N 0.158 118.790 118.700 -0.113 0.000 2.383 225 N HA -0.032 4.709 4.740 0.002 0.000 0.192 225 N C -0.253 175.211 175.510 -0.077 0.000 1.141 225 N CA 0.174 53.173 53.050 -0.085 0.000 0.851 225 N CB 0.026 38.463 38.487 -0.082 0.000 0.976 225 N HN 0.146 nan 8.380 nan 0.000 0.465 226 L N 0.665 121.826 121.223 -0.104 0.000 2.346 226 L HA 0.498 4.839 4.340 0.002 0.000 0.276 226 L C -2.505 174.482 176.870 0.194 0.000 1.006 226 L CA -2.372 52.473 54.840 0.008 0.000 0.817 226 L CB 2.138 44.098 42.059 -0.166 0.000 1.272 226 L HN -0.287 nan 8.230 nan 0.000 0.421 227 P HA -0.062 nan 4.420 nan 0.000 0.260 227 P C -0.876 176.279 177.300 -0.242 0.000 1.172 227 P CA 0.051 63.004 63.100 -0.245 0.000 0.760 227 P CB 0.351 31.583 31.700 -0.780 0.000 0.773 228 L N 5.717 126.793 121.223 -0.246 0.000 2.276 228 L HA 0.555 4.896 4.340 0.002 0.000 0.286 228 L C 0.095 176.702 176.870 -0.438 0.000 1.024 228 L CA 0.170 54.787 54.840 -0.371 0.000 0.826 228 L CB 0.553 42.520 42.059 -0.152 0.000 1.211 228 L HN 0.415 nan 8.230 nan 0.000 0.422 229 T N 2.043 116.273 114.554 -0.540 0.000 2.858 229 T HA 1.012 5.363 4.350 0.002 0.000 0.285 229 T C -0.579 173.882 174.700 -0.399 0.000 1.052 229 T CA -0.277 61.577 62.100 -0.409 0.000 1.009 229 T CB 1.820 70.473 68.868 -0.357 0.000 1.241 229 T HN 0.999 nan 8.240 nan 0.000 0.542 230 A N 0.438 123.076 122.820 -0.304 0.000 2.594 230 A HA 0.804 5.126 4.320 0.002 0.000 0.295 230 A C -0.937 176.573 177.584 -0.122 0.000 1.071 230 A CA -1.019 50.804 52.037 -0.356 0.000 0.685 230 A CB 1.617 20.262 19.000 -0.593 0.000 1.285 230 A HN 1.020 nan 8.150 nan 0.000 0.405 231 R N 0.479 120.938 120.500 -0.068 0.000 2.460 231 R HA 0.721 5.062 4.340 0.002 0.000 0.303 231 R C -1.920 174.566 176.300 0.310 0.000 0.968 231 R CA -0.374 55.775 56.100 0.082 0.000 0.889 231 R CB 1.045 31.320 30.300 -0.042 0.000 1.123 231 R HN 0.751 nan 8.270 nan 0.000 0.455 232 F N 2.082 122.121 119.950 0.149 0.000 2.588 232 F HA 0.469 4.998 4.527 0.002 0.000 0.314 232 F C -0.685 175.229 175.800 0.189 0.000 1.134 232 F CA -0.946 57.190 58.000 0.226 0.000 0.961 232 F CB 1.998 41.169 39.000 0.284 0.000 1.239 232 F HN 0.597 nan 8.300 nan 0.000 0.448 233 G N 3.907 112.589 108.800 -0.197 0.000 2.351 233 G HA2 0.456 4.418 3.960 0.002 0.000 0.287 233 G HA3 0.456 4.418 3.960 0.002 0.000 0.287 233 G C 0.507 174.969 174.900 -0.730 0.000 1.159 233 G CA -0.041 44.900 45.100 -0.266 0.000 0.929 233 G HN 1.130 nan 8.290 nan 0.000 0.435 234 V N 1.147 120.768 119.914 -0.488 0.000 3.608 234 V HA 0.471 4.592 4.120 0.002 0.000 0.269 234 V C 0.656 176.602 176.094 -0.247 0.000 1.245 234 V CA 0.699 62.742 62.300 -0.428 0.000 1.138 234 V CB -1.489 30.206 31.823 -0.213 0.000 0.841 234 V HN 0.738 nan 8.190 nan 0.000 0.451 235 L N -4.068 117.002 121.223 -0.255 0.000 2.622 235 L HA 0.695 5.037 4.340 0.002 0.000 0.258 235 L C 0.085 176.786 176.870 -0.283 0.000 0.996 235 L CA -0.580 54.095 54.840 -0.275 0.000 0.858 235 L CB 1.882 43.686 42.059 -0.424 0.000 1.449 235 L HN -0.178 nan 8.230 nan 0.000 0.411 236 E N 0.701 120.762 120.200 -0.233 0.000 2.413 236 E HA 0.096 4.448 4.350 0.002 0.000 0.203 236 E C -0.784 175.772 176.600 -0.073 0.000 0.957 236 E CA 0.163 56.478 56.400 -0.143 0.000 0.950 236 E CB 0.419 30.101 29.700 -0.031 0.000 0.957 236 E HN 0.687 nan 8.360 nan 0.000 0.497 237 Y N 1.707 121.935 120.300 -0.121 0.000 3.380 237 Y HA -0.180 4.371 4.550 0.002 0.000 0.211 237 Y C 0.208 176.050 175.900 -0.097 0.000 1.394 237 Y CA 0.615 58.637 58.100 -0.129 0.000 1.479 237 Y CB -2.064 36.270 38.460 -0.210 0.000 1.483 237 Y HN 0.168 nan 8.280 nan 0.000 0.566 238 D N -1.471 118.945 120.400 0.027 0.000 2.501 238 D HA 0.418 5.059 4.640 0.002 0.000 0.224 238 D C 1.617 177.940 176.300 0.039 0.000 1.202 238 D CA 0.408 54.428 54.000 0.033 0.000 0.829 238 D CB 0.198 41.037 40.800 0.065 0.000 1.023 238 D HN 0.604 nan 8.370 nan 0.000 0.499 239 G N 1.285 110.097 108.800 0.021 0.000 2.159 239 G HA2 -0.348 3.614 3.960 0.002 0.000 0.256 239 G HA3 -0.348 3.614 3.960 0.002 0.000 0.256 239 G C 0.769 175.667 174.900 -0.003 0.000 0.977 239 G CA 0.090 45.197 45.100 0.011 0.000 0.652 239 G HN 0.462 nan 8.290 nan 0.000 0.531 240 R N -0.126 120.368 120.500 -0.009 0.000 2.659 240 R HA 0.233 4.574 4.340 0.002 0.000 0.418 240 R C 0.707 176.976 176.300 -0.053 0.000 1.076 240 R CA -0.104 55.980 56.100 -0.027 0.000 1.093 240 R CB 0.315 30.601 30.300 -0.022 0.000 1.400 240 R HN 0.156 nan 8.270 nan 0.000 0.583 241 D N 1.597 121.951 120.400 -0.078 0.000 2.123 241 D HA -0.204 4.438 4.640 0.002 0.000 0.196 241 D C 1.674 177.915 176.300 -0.099 0.000 0.992 241 D CA 1.437 55.358 54.000 -0.132 0.000 0.833 241 D CB 0.328 41.013 40.800 -0.191 0.000 0.954 241 D HN 0.167 nan 8.370 nan 0.000 0.455 242 E N 0.789 120.948 120.200 -0.068 0.000 2.072 242 E HA -0.165 4.186 4.350 0.002 0.000 0.191 242 E C 1.985 178.555 176.600 -0.050 0.000 0.985 242 E CA 1.231 57.598 56.400 -0.055 0.000 0.801 242 E CB -0.097 29.578 29.700 -0.042 0.000 0.750 242 E HN 0.186 nan 8.360 nan 0.000 0.452 243 Q N -0.740 119.030 119.800 -0.050 0.000 2.079 243 Q HA -0.038 4.303 4.340 0.002 0.000 0.200 243 Q C 2.239 178.216 176.000 -0.038 0.000 0.974 243 Q CA 2.052 57.824 55.803 -0.052 0.000 0.840 243 Q CB -0.579 28.124 28.738 -0.058 0.000 0.898 243 Q HN 0.214 nan 8.270 nan 0.000 0.430 244 T N 0.985 115.521 114.554 -0.030 0.000 2.777 244 T HA -0.088 4.263 4.350 0.002 0.000 0.266 244 T C 1.623 176.349 174.700 0.044 0.000 1.040 244 T CA 0.897 63.005 62.100 0.014 0.000 1.141 244 T CB -0.289 68.574 68.868 -0.008 0.000 0.868 244 T HN 0.100 nan 8.240 nan 0.000 0.444 245 L N 1.343 122.554 121.223 -0.020 0.000 2.083 245 L HA 0.016 4.357 4.340 0.002 0.000 0.209 245 L C 2.395 179.274 176.870 0.013 0.000 1.083 245 L CA 1.760 56.589 54.840 -0.020 0.000 0.752 245 L CB -0.576 41.447 42.059 -0.060 0.000 0.899 245 L HN 0.263 nan 8.230 nan 0.000 0.433 246 E N -0.684 119.511 120.200 -0.008 0.000 2.072 246 E HA -0.236 4.115 4.350 0.002 0.000 0.191 246 E C 1.991 178.578 176.600 -0.022 0.000 0.985 246 E CA 1.346 57.729 56.400 -0.028 0.000 0.801 246 E CB -0.030 29.631 29.700 -0.064 0.000 0.750 246 E HN 0.615 nan 8.360 nan 0.000 0.452 247 E N -0.095 120.116 120.200 0.019 0.000 2.072 247 E HA -0.126 4.225 4.350 0.002 0.000 0.191 247 E C 2.225 179.092 176.600 0.444 0.000 0.985 247 E CA 1.102 57.565 56.400 0.105 0.000 0.801 247 E CB 0.056 29.890 29.700 0.223 0.000 0.750 247 E HN 0.129 nan 8.360 nan 0.000 0.452 248 S N 0.889 116.834 115.700 0.408 0.000 2.368 248 S HA -0.112 4.360 4.470 0.002 0.000 0.225 248 S C 2.030 176.778 174.600 0.246 0.000 1.030 248 S CA 0.760 59.186 58.200 0.377 0.000 0.999 248 S CB -0.127 63.171 63.200 0.163 0.000 0.844 248 S HN 0.209 nan 8.310 nan 0.000 0.459 249 I N 1.159 121.812 120.570 0.138 0.000 2.315 249 I HA -0.148 4.024 4.170 0.002 0.000 0.248 249 I C 2.660 178.812 176.117 0.058 0.000 1.117 249 I CA 1.119 62.469 61.300 0.085 0.000 1.404 249 I CB -0.250 37.776 38.000 0.043 0.000 1.071 249 I HN 0.225 nan 8.210 nan 0.000 0.419 250 E N 1.238 121.472 120.200 0.056 0.000 2.077 250 E HA -0.235 4.116 4.350 0.002 0.000 0.193 250 E C 1.982 178.649 176.600 0.111 0.000 0.989 250 E CA 1.213 57.643 56.400 0.051 0.000 0.800 250 E CB -0.239 29.405 29.700 -0.094 0.000 0.746 250 E HN 0.282 nan 8.360 nan 0.000 0.452 251 L N 0.080 121.374 121.223 0.119 0.000 2.093 251 L HA 0.048 4.389 4.340 0.002 0.000 0.208 251 L C 2.099 178.576 176.870 -0.656 0.000 1.085 251 L CA 1.988 56.628 54.840 -0.333 0.000 0.755 251 L CB -0.925 40.722 42.059 -0.687 0.000 0.904 251 L HN 0.174 nan 8.230 nan 0.000 0.435 252 A N -0.404 122.249 122.820 -0.279 0.000 1.933 252 A HA -0.222 4.100 4.320 0.002 0.000 0.218 252 A C 2.407 179.986 177.584 -0.009 0.000 1.175 252 A CA 1.743 53.743 52.037 -0.061 0.000 0.628 252 A CB -0.505 18.568 19.000 0.121 0.000 0.814 252 A HN 0.499 nan 8.150 nan 0.000 0.444 253 R N -0.705 119.782 120.500 -0.021 0.000 2.096 253 R HA -0.078 4.263 4.340 0.002 0.000 0.235 253 R C 2.408 178.708 176.300 0.001 0.000 1.127 253 R CA 1.532 57.638 56.100 0.011 0.000 0.968 253 R CB -0.270 30.039 30.300 0.015 0.000 0.861 253 R HN 0.507 nan 8.270 nan 0.000 0.440 254 R N -0.444 120.016 120.500 -0.066 0.000 2.092 254 R HA -0.060 4.281 4.340 0.002 0.000 0.231 254 R C 1.971 178.290 176.300 0.032 0.000 1.119 254 R CA 1.046 57.112 56.100 -0.057 0.000 0.970 254 R CB -0.219 30.001 30.300 -0.134 0.000 0.864 254 R HN 0.122 nan 8.270 nan 0.000 0.440 255 F N 1.650 121.564 119.950 -0.059 0.000 2.102 255 F HA -0.152 4.376 4.527 0.002 0.000 0.298 255 F C 2.420 178.194 175.800 -0.045 0.000 1.105 255 F CA 0.982 58.939 58.000 -0.072 0.000 1.239 255 F CB -0.747 38.201 39.000 -0.085 0.000 0.991 255 F HN -0.055 nan 8.300 nan 0.000 0.474 256 K N 0.387 120.895 120.400 0.180 0.000 2.032 256 K HA -0.162 4.159 4.320 0.002 0.000 0.209 256 K C 2.206 178.843 176.600 0.061 0.000 1.048 256 K CA 1.404 57.748 56.287 0.095 0.000 0.927 256 K CB -0.328 32.217 32.500 0.076 0.000 0.712 256 K HN 0.158 nan 8.250 nan 0.000 0.441 257 A N 0.478 123.331 122.820 0.055 0.000 2.019 257 A HA -0.052 4.269 4.320 0.002 0.000 0.219 257 A C 2.028 179.631 177.584 0.033 0.000 1.164 257 A CA 1.655 53.713 52.037 0.035 0.000 0.644 257 A CB -0.657 18.358 19.000 0.026 0.000 0.805 257 A HN 0.533 nan 8.150 nan 0.000 0.449 258 G N -2.151 106.680 108.800 0.051 0.000 3.181 258 G HA2 0.393 4.355 3.960 0.002 0.000 0.219 258 G HA3 0.393 4.355 3.960 0.002 0.000 0.219 258 G C 1.024 175.935 174.900 0.019 0.000 1.182 258 G CA 0.438 45.562 45.100 0.039 0.000 0.791 258 G HN 1.580 nan 8.290 nan 0.000 0.537 259 G N -0.806 108.004 108.800 0.017 0.000 2.176 259 G HA2 -0.226 3.735 3.960 0.002 0.000 0.232 259 G HA3 -0.226 3.735 3.960 0.002 0.000 0.232 259 G C 0.263 175.146 174.900 -0.028 0.000 0.986 259 G CA 0.055 45.153 45.100 -0.002 0.000 0.643 259 G HN 0.569 nan 8.290 nan 0.000 0.522 260 L N 1.582 122.788 121.223 -0.028 0.000 2.410 260 L HA 0.453 4.794 4.340 0.002 0.000 0.273 260 L C 1.067 177.904 176.870 -0.055 0.000 1.144 260 L CA 0.445 55.237 54.840 -0.081 0.000 0.863 260 L CB 0.634 42.650 42.059 -0.073 0.000 1.140 260 L HN 0.157 nan 8.230 nan 0.000 0.463 261 D N 4.280 124.616 120.400 -0.106 0.000 2.301 261 D HA 0.127 4.769 4.640 0.002 0.000 0.206 261 D C 0.007 176.280 176.300 -0.044 0.000 0.979 261 D CA 0.693 54.644 54.000 -0.083 0.000 0.874 261 D CB 0.655 41.370 40.800 -0.142 0.000 0.968 261 D HN 0.379 nan 8.370 nan 0.000 0.510 262 L N 0.190 121.370 121.223 -0.071 0.000 2.612 262 L HA 0.363 4.705 4.340 0.002 0.000 0.256 262 L C -2.252 174.624 176.870 0.010 0.000 0.949 262 L CA -0.848 54.002 54.840 0.015 0.000 0.867 262 L CB 2.323 44.428 42.059 0.078 0.000 1.417 262 L HN -0.242 nan 8.230 nan 0.000 0.414 263 L N 2.745 124.011 121.223 0.072 0.000 2.333 263 L HA 0.589 4.931 4.340 0.002 0.000 0.280 263 L C -0.534 176.405 176.870 0.114 0.000 1.004 263 L CA 0.230 55.127 54.840 0.096 0.000 0.820 263 L CB 1.973 44.131 42.059 0.165 0.000 1.247 263 L HN 0.593 nan 8.230 nan 0.000 0.416 264 S N 4.278 120.046 115.700 0.113 0.000 2.399 264 S HA 0.477 4.949 4.470 0.002 0.000 0.301 264 S C -0.452 174.234 174.600 0.143 0.000 1.093 264 S CA -0.595 57.675 58.200 0.116 0.000 1.077 264 S CB 0.093 63.353 63.200 0.099 0.000 0.980 264 S HN 0.456 nan 8.310 nan 0.000 0.494 265 V N 5.202 125.192 119.914 0.127 0.000 2.488 265 V HA 0.510 4.631 4.120 0.002 0.000 0.277 265 V C 0.620 176.788 176.094 0.124 0.000 1.046 265 V CA -0.029 62.341 62.300 0.117 0.000 0.986 265 V CB 0.996 32.866 31.823 0.078 0.000 0.989 265 V HN 0.869 nan 8.190 nan 0.000 0.475 266 S N 3.660 119.432 115.700 0.121 0.000 2.903 266 S HA 0.764 5.235 4.470 0.002 0.000 0.314 266 S C -0.893 173.752 174.600 0.076 0.000 1.177 266 S CA -0.459 57.857 58.200 0.193 0.000 0.859 266 S CB 1.978 65.428 63.200 0.417 0.000 1.265 266 S HN 0.362 nan 8.310 nan 0.000 0.584 267 V N 1.613 121.583 119.914 0.094 0.000 2.713 267 V HA 0.497 4.618 4.120 0.002 0.000 0.307 267 V C 1.662 177.668 176.094 -0.146 0.000 1.052 267 V CA 0.196 62.384 62.300 -0.186 0.000 0.967 267 V CB 1.243 32.763 31.823 -0.504 0.000 1.019 267 V HN 1.094 nan 8.190 nan 0.000 0.459 268 G N 1.585 110.277 108.800 -0.179 0.000 2.402 268 G HA2 -0.134 3.827 3.960 0.002 0.000 0.216 268 G HA3 -0.134 3.827 3.960 0.002 0.000 0.216 268 G C 0.599 175.605 174.900 0.177 0.000 1.162 268 G CA 0.470 45.585 45.100 0.024 0.000 0.777 268 G HN 0.706 nan 8.290 nan 0.000 0.539 269 F N 0.230 120.282 119.950 0.170 0.000 3.100 269 F HA -0.223 4.306 4.527 0.002 0.000 0.283 269 F C 1.859 177.801 175.800 0.237 0.000 0.900 269 F CA 0.801 58.914 58.000 0.187 0.000 1.010 269 F CB -2.410 36.672 39.000 0.136 0.000 1.029 269 F HN 0.136 nan 8.300 nan 0.000 0.637 270 T N -0.301 114.429 114.554 0.295 0.000 2.904 270 T HA 0.146 4.498 4.350 0.002 0.000 0.267 270 T C 0.985 175.834 174.700 0.249 0.000 1.059 270 T CA 1.481 63.744 62.100 0.271 0.000 1.137 270 T CB 0.033 69.014 68.868 0.189 0.000 0.879 270 T HN 0.532 nan 8.240 nan 0.000 0.467 271 I N -1.929 118.642 120.570 0.002 0.000 2.934 271 I HA 0.477 4.648 4.170 0.002 0.000 0.306 271 I C -2.321 173.556 176.117 -0.400 0.000 1.110 271 I CA -2.725 58.309 61.300 -0.442 0.000 1.019 271 I CB 2.289 39.975 38.000 -0.525 0.000 1.227 271 I HN -0.327 nan 8.210 nan 0.000 0.434 272 P HA -0.065 nan 4.420 nan 0.000 0.224 272 P C 0.183 177.424 177.300 -0.097 0.000 1.157 272 P CA 0.866 63.821 63.100 -0.242 0.000 0.799 272 P CB 0.074 31.591 31.700 -0.305 0.000 0.809 273 D N 1.682 121.983 120.400 -0.166 0.000 2.551 273 D HA 0.137 4.779 4.640 0.002 0.000 0.223 273 D C -0.023 176.235 176.300 -0.070 0.000 1.144 273 D CA 0.197 54.141 54.000 -0.094 0.000 1.025 273 D CB -0.496 40.242 40.800 -0.102 0.000 1.085 273 D HN 0.171 nan 8.370 nan 0.000 0.506 274 T N -0.354 114.185 114.554 -0.025 0.000 2.838 274 T HA 0.481 4.832 4.350 0.002 0.000 0.292 274 T C -0.479 174.210 174.700 -0.018 0.000 1.113 274 T CA -1.161 60.931 62.100 -0.014 0.000 1.008 274 T CB 1.458 70.325 68.868 -0.001 0.000 1.259 274 T HN 0.038 nan 8.240 nan 0.000 0.520 275 N N 0.380 119.052 118.700 -0.047 0.000 2.750 275 N HA 0.360 5.101 4.740 0.002 0.000 0.253 275 N C -1.265 174.047 175.510 -0.330 0.000 1.408 275 N CA -0.611 52.365 53.050 -0.122 0.000 0.780 275 N CB -0.093 38.345 38.487 -0.080 0.000 1.191 275 N HN 0.709 nan 8.380 nan 0.000 0.511 276 I N 2.535 122.787 120.570 -0.530 0.000 2.452 276 I HA 0.261 4.432 4.170 0.002 0.000 0.287 276 I C -1.491 173.821 176.117 -1.341 0.000 1.079 276 I CA -1.589 58.996 61.300 -1.192 0.000 1.387 276 I CB 1.061 38.201 38.000 -1.432 0.000 1.404 276 I HN 0.293 nan 8.210 nan 0.000 0.522 277 P HA 0.002 nan 4.420 nan 0.000 0.230 277 P C -0.806 175.819 177.300 -1.125 0.000 1.791 277 P CA -0.380 62.176 63.100 -0.906 0.000 1.020 277 P CB -0.470 30.859 31.700 -0.619 0.000 1.977 278 W N 2.097 122.806 121.300 -0.984 0.000 2.293 278 W HA 0.334 4.996 4.660 0.002 0.000 0.342 278 W C 1.172 177.370 176.519 -0.534 0.000 1.274 278 W CA 0.899 57.588 57.345 -1.094 0.000 1.290 278 W CB 0.385 29.475 29.460 -0.616 0.000 1.176 278 W HN 0.394 nan 8.180 nan 0.000 0.570 279 G N 2.662 111.458 108.800 -0.006 0.000 2.387 279 G HA2 0.330 4.292 3.960 0.002 0.000 0.294 279 G HA3 0.330 4.292 3.960 0.002 0.000 0.294 279 G C -3.132 172.042 174.900 0.457 0.000 1.509 279 G CA -1.430 43.809 45.100 0.232 0.000 0.806 279 G HN 0.171 nan 8.290 nan 0.000 0.546 280 P HA 0.345 nan 4.420 nan 0.000 0.266 280 P C 0.786 178.116 177.300 0.049 0.000 1.215 280 P CA 1.377 64.572 63.100 0.159 0.000 0.763 280 P CB 1.210 32.950 31.700 0.067 0.000 0.806 281 A N 3.727 126.427 122.820 -0.199 0.000 2.826 281 A HA -0.263 4.059 4.320 0.002 0.000 0.274 281 A C 0.902 178.480 177.584 -0.010 0.000 1.443 281 A CA 1.108 52.839 52.037 -0.511 0.000 0.833 281 A CB -3.036 15.650 19.000 -0.523 0.000 1.023 281 A HN 0.666 nan 8.150 nan 0.000 0.600 282 F N -2.266 117.710 119.950 0.043 0.000 2.333 282 F HA -0.032 4.496 4.527 0.002 0.000 0.300 282 F C 1.716 177.567 175.800 0.085 0.000 1.083 282 F CA 1.498 59.525 58.000 0.044 0.000 1.395 282 F CB -0.329 38.657 39.000 -0.024 0.000 1.056 282 F HN 0.270 nan 8.300 nan 0.000 0.529 283 M N 1.457 120.681 119.600 -0.627 0.000 2.562 283 M HA 0.120 4.601 4.480 0.002 0.000 0.257 283 M C 2.401 178.677 176.300 -0.040 0.000 1.099 283 M CA 0.866 55.904 55.300 -0.436 0.000 1.099 283 M CB -1.879 30.510 32.600 -0.353 0.000 1.427 283 M HN 0.428 nan 8.290 nan 0.000 0.489 284 G N 2.190 111.052 108.800 0.103 0.000 2.599 284 G HA2 -0.240 3.722 3.960 0.002 0.000 0.219 284 G HA3 -0.240 3.722 3.960 0.002 0.000 0.219 284 G C -0.947 174.009 174.900 0.094 0.000 1.193 284 G CA 0.758 45.959 45.100 0.169 0.000 0.778 284 G HN 0.325 nan 8.290 nan 0.000 0.589 285 P HA -0.041 nan 4.420 nan 0.000 0.215 285 P C 1.969 179.294 177.300 0.043 0.000 1.153 285 P CA 0.722 63.859 63.100 0.062 0.000 0.853 285 P CB 0.011 31.753 31.700 0.071 0.000 0.788 286 I N -0.623 119.964 120.570 0.029 0.000 2.252 286 I HA -0.153 4.018 4.170 0.002 0.000 0.245 286 I C 2.187 178.311 176.117 0.013 0.000 1.102 286 I CA 1.474 62.778 61.300 0.007 0.000 1.385 286 I CB -1.730 36.257 38.000 -0.021 0.000 1.064 286 I HN -0.098 nan 8.210 nan 0.000 0.414 287 A N 0.221 123.054 122.820 0.021 0.000 1.902 287 A HA -0.223 4.098 4.320 0.002 0.000 0.217 287 A C 2.321 179.928 177.584 0.037 0.000 1.181 287 A CA 1.636 53.693 52.037 0.033 0.000 0.623 287 A CB -0.543 18.480 19.000 0.039 0.000 0.818 287 A HN 0.402 nan 8.150 nan 0.000 0.443 288 E N 0.281 120.505 120.200 0.040 0.000 2.077 288 E HA -0.221 4.131 4.350 0.002 0.000 0.193 288 E C 2.215 178.837 176.600 0.036 0.000 0.989 288 E CA 1.335 57.759 56.400 0.039 0.000 0.800 288 E CB -0.294 29.433 29.700 0.045 0.000 0.746 288 E HN 0.650 nan 8.360 nan 0.000 0.452 289 R N 0.119 120.637 120.500 0.031 0.000 2.081 289 R HA -0.090 4.251 4.340 0.002 0.000 0.235 289 R C 2.410 178.728 176.300 0.031 0.000 1.131 289 R CA 1.405 57.521 56.100 0.026 0.000 0.960 289 R CB -0.086 30.225 30.300 0.017 0.000 0.856 289 R HN 0.050 nan 8.270 nan 0.000 0.436 290 V N 1.098 121.034 119.914 0.037 0.000 2.358 290 V HA -0.218 3.904 4.120 0.002 0.000 0.246 290 V C 2.573 178.702 176.094 0.057 0.000 1.047 290 V CA 2.100 64.432 62.300 0.052 0.000 1.035 290 V CB -0.684 31.180 31.823 0.068 0.000 0.658 290 V HN 0.411 nan 8.190 nan 0.000 0.452 291 R N 0.177 120.709 120.500 0.053 0.000 2.091 291 R HA -0.226 4.116 4.340 0.002 0.000 0.238 291 R C 2.509 178.837 176.300 0.047 0.000 1.136 291 R CA 2.186 58.318 56.100 0.053 0.000 0.959 291 R CB -0.243 30.083 30.300 0.045 0.000 0.856 291 R HN 0.466 nan 8.270 nan 0.000 0.437 292 R N 0.396 120.920 120.500 0.040 0.000 2.062 292 R HA -0.078 4.263 4.340 0.002 0.000 0.229 292 R C 1.733 178.052 176.300 0.032 0.000 1.128 292 R CA 1.762 57.883 56.100 0.035 0.000 0.960 292 R CB -0.004 30.314 30.300 0.030 0.000 0.855 292 R HN 0.325 nan 8.270 nan 0.000 0.432 293 E N -0.601 119.617 120.200 0.030 0.000 2.285 293 E HA -0.063 4.288 4.350 0.002 0.000 0.194 293 E C 1.269 177.887 176.600 0.030 0.000 0.997 293 E CA 0.837 57.252 56.400 0.025 0.000 0.845 293 E CB 0.304 30.016 29.700 0.020 0.000 0.782 293 E HN 0.455 nan 8.360 nan 0.000 0.491 294 A N 0.701 123.546 122.820 0.042 0.000 2.343 294 A HA 0.090 4.411 4.320 0.002 0.000 0.223 294 A C 0.386 177.999 177.584 0.049 0.000 1.214 294 A CA -0.231 51.835 52.037 0.048 0.000 0.900 294 A CB 0.138 19.178 19.000 0.067 0.000 0.942 294 A HN 0.030 nan 8.150 nan 0.000 0.507 295 K N -1.338 119.090 120.400 0.046 0.000 3.257 295 K HA -0.190 4.131 4.320 0.002 0.000 0.270 295 K C -0.945 175.688 176.600 0.055 0.000 0.984 295 K CA 0.637 56.951 56.287 0.046 0.000 0.739 295 K CB -1.569 30.954 32.500 0.038 0.000 1.351 295 K HN 0.421 nan 8.250 nan 0.000 0.463 296 L N -0.406 120.856 121.223 0.065 0.000 2.408 296 L HA 0.527 4.869 4.340 0.002 0.000 0.268 296 L C -2.609 174.310 176.870 0.081 0.000 0.986 296 L CA -2.058 52.827 54.840 0.075 0.000 0.820 296 L CB 1.867 43.977 42.059 0.087 0.000 1.303 296 L HN -0.201 nan 8.230 nan 0.000 0.411 297 P HA 0.312 nan 4.420 nan 0.000 0.269 297 P C -1.380 175.973 177.300 0.089 0.000 1.209 297 P CA -0.085 63.081 63.100 0.109 0.000 0.776 297 P CB 0.878 32.690 31.700 0.188 0.000 0.876 298 V N -1.073 118.875 119.914 0.057 0.000 3.181 298 V HA 0.917 5.039 4.120 0.002 0.000 0.308 298 V C -0.766 175.333 176.094 0.007 0.000 1.214 298 V CA -0.573 61.758 62.300 0.052 0.000 1.053 298 V CB 2.022 33.876 31.823 0.052 0.000 1.069 298 V HN 0.571 nan 8.190 nan 0.000 0.441 299 T N 0.214 114.780 114.554 0.020 0.000 2.864 299 T HA 0.804 5.156 4.350 0.002 0.000 0.299 299 T C -0.872 173.829 174.700 0.003 0.000 1.166 299 T CA 0.413 62.495 62.100 -0.031 0.000 1.007 299 T CB 1.920 70.778 68.868 -0.017 0.000 1.219 299 T HN 1.661 nan 8.240 nan 0.000 0.506 300 S N 0.074 115.754 115.700 -0.034 0.000 2.672 300 S HA 0.925 5.396 4.470 0.002 0.000 0.271 300 S C -1.593 173.081 174.600 0.123 0.000 1.171 300 S CA 0.094 58.338 58.200 0.073 0.000 0.817 300 S CB 1.160 64.419 63.200 0.098 0.000 1.150 300 S HN 1.408 nan 8.310 nan 0.000 0.478 301 A N 0.563 123.582 122.820 0.333 0.000 2.568 301 A HA 0.847 5.168 4.320 0.002 0.000 0.291 301 A C -1.722 176.254 177.584 0.653 0.000 1.159 301 A CA -0.146 52.192 52.037 0.502 0.000 0.679 301 A CB 0.971 20.178 19.000 0.345 0.000 1.285 301 A HN 1.695 nan 8.150 nan 0.000 0.428 302 W N -0.628 120.886 121.300 0.356 0.000 3.079 302 W HA 0.089 4.750 4.660 0.002 0.000 0.458 302 W C 0.652 177.202 176.519 0.051 0.000 1.814 302 W CA 1.003 58.507 57.345 0.264 0.000 0.463 302 W CB -1.070 28.666 29.460 0.461 0.000 2.861 302 W HN 2.665 nan 8.180 nan 0.000 0.426 303 G N 2.901 111.540 108.800 -0.267 0.000 2.141 303 G HA2 -0.356 3.606 3.960 0.002 0.000 0.242 303 G HA3 -0.356 3.606 3.960 0.002 0.000 0.242 303 G C 0.087 174.856 174.900 -0.219 0.000 0.982 303 G CA 0.329 45.290 45.100 -0.231 0.000 0.662 303 G HN 0.562 nan 8.290 nan 0.000 0.527 304 F N 1.461 121.414 119.950 0.005 0.000 2.731 304 F HA 0.338 4.867 4.527 0.002 0.000 0.304 304 F C 2.336 178.130 175.800 -0.010 0.000 1.133 304 F CA 0.646 58.662 58.000 0.027 0.000 1.380 304 F CB 0.246 39.253 39.000 0.013 0.000 1.079 304 F HN 0.204 nan 8.300 nan 0.000 0.550 305 G N -0.628 108.191 108.800 0.032 0.000 2.559 305 G HA2 -0.123 3.839 3.960 0.002 0.000 0.216 305 G HA3 -0.123 3.839 3.960 0.002 0.000 0.216 305 G C 0.713 175.924 174.900 0.518 0.000 1.126 305 G CA 0.383 45.489 45.100 0.009 0.000 0.778 305 G HN 0.185 nan 8.290 nan 0.000 0.543 306 T N 2.376 117.151 114.554 0.368 0.000 2.747 306 T HA 0.327 4.678 4.350 0.002 0.000 0.301 306 T C -1.394 173.539 174.700 0.388 0.000 0.952 306 T CA -1.044 61.270 62.100 0.357 0.000 0.983 306 T CB 1.916 70.905 68.868 0.201 0.000 0.930 306 T HN -0.068 nan 8.240 nan 0.000 0.494 307 P HA -0.215 nan 4.420 nan 0.000 0.217 307 P C 1.530 178.929 177.300 0.166 0.000 1.158 307 P CA 1.217 64.437 63.100 0.201 0.000 0.887 307 P CB 0.194 31.792 31.700 -0.169 0.000 0.792 308 Q N -1.159 118.710 119.800 0.115 0.000 2.181 308 Q HA -0.110 4.231 4.340 0.002 0.000 0.205 308 Q C 2.186 178.276 176.000 0.151 0.000 0.980 308 Q CA 1.179 57.044 55.803 0.103 0.000 0.862 308 Q CB -1.018 27.764 28.738 0.074 0.000 0.905 308 Q HN 0.281 nan 8.270 nan 0.000 0.429 309 L N -0.616 120.728 121.223 0.201 0.000 2.109 309 L HA -0.121 4.221 4.340 0.002 0.000 0.207 309 L C 2.195 179.296 176.870 0.385 0.000 1.086 309 L CA 0.918 55.908 54.840 0.250 0.000 0.760 309 L CB -0.522 41.653 42.059 0.194 0.000 0.910 309 L HN 0.275 nan 8.230 nan 0.000 0.437 310 A N -0.088 122.976 122.820 0.407 0.000 1.877 310 A HA -0.270 4.051 4.320 0.002 0.000 0.216 310 A C 2.123 179.798 177.584 0.151 0.000 1.186 310 A CA 1.935 54.153 52.037 0.301 0.000 0.620 310 A CB -0.483 18.701 19.000 0.305 0.000 0.822 310 A HN 0.389 nan 8.150 nan 0.000 0.443 311 E N 0.292 120.579 120.200 0.145 0.000 2.058 311 E HA -0.100 4.252 4.350 0.002 0.000 0.194 311 E C 2.030 178.685 176.600 0.091 0.000 0.997 311 E CA 1.780 58.237 56.400 0.095 0.000 0.801 311 E CB -0.507 29.246 29.700 0.090 0.000 0.746 311 E HN 0.463 nan 8.360 nan 0.000 0.450 312 A N 0.789 123.679 122.820 0.118 0.000 1.902 312 A HA -0.079 4.242 4.320 0.002 0.000 0.217 312 A C 2.465 180.116 177.584 0.112 0.000 1.181 312 A CA 2.254 54.357 52.037 0.109 0.000 0.623 312 A CB -1.121 17.952 19.000 0.121 0.000 0.818 312 A HN 0.405 nan 8.150 nan 0.000 0.443 313 A N -0.387 122.523 122.820 0.150 0.000 1.902 313 A HA -0.046 4.275 4.320 0.002 0.000 0.217 313 A C 2.189 179.797 177.584 0.040 0.000 1.181 313 A CA 1.547 53.659 52.037 0.125 0.000 0.623 313 A CB -0.566 18.528 19.000 0.158 0.000 0.818 313 A HN 0.480 nan 8.150 nan 0.000 0.443 314 L N -1.039 120.193 121.223 0.014 0.000 2.027 314 L HA -0.216 4.126 4.340 0.002 0.000 0.206 314 L C 2.877 179.758 176.870 0.018 0.000 1.074 314 L CA 1.445 56.279 54.840 -0.010 0.000 0.745 314 L CB -0.588 41.457 42.059 -0.024 0.000 0.898 314 L HN 0.456 nan 8.230 nan 0.000 0.433 315 Q N -0.282 119.540 119.800 0.036 0.000 2.170 315 Q HA -0.156 4.185 4.340 0.002 0.000 0.203 315 Q C 2.044 178.069 176.000 0.042 0.000 0.976 315 Q CA 1.430 57.258 55.803 0.041 0.000 0.858 315 Q CB -0.149 28.617 28.738 0.047 0.000 0.907 315 Q HN 0.545 nan 8.270 nan 0.000 0.433 316 A N 0.703 123.551 122.820 0.047 0.000 2.251 316 A HA -0.010 4.311 4.320 0.002 0.000 0.209 316 A C 0.157 177.766 177.584 0.041 0.000 1.187 316 A CA -0.117 51.949 52.037 0.048 0.000 0.823 316 A CB 0.127 19.163 19.000 0.060 0.000 0.846 316 A HN 0.366 nan 8.150 nan 0.000 0.486 317 N N -0.489 118.230 118.700 0.032 0.000 2.735 317 N HA -0.208 4.533 4.740 0.002 0.000 0.248 317 N C 0.631 176.157 175.510 0.026 0.000 1.083 317 N CA 1.298 54.363 53.050 0.026 0.000 0.703 317 N CB -1.343 37.163 38.487 0.032 0.000 1.005 317 N HN 0.805 nan 8.380 nan 0.000 0.550 318 Q N -0.583 119.234 119.800 0.027 0.000 2.302 318 Q HA 0.215 4.556 4.340 0.002 0.000 0.202 318 Q C 0.494 176.498 176.000 0.006 0.000 0.936 318 Q CA 0.804 56.627 55.803 0.033 0.000 0.886 318 Q CB 0.542 29.318 28.738 0.064 0.000 0.986 318 Q HN 0.431 nan 8.270 nan 0.000 0.487 319 L N -0.801 120.404 121.223 -0.031 0.000 2.376 319 L HA 0.322 4.663 4.340 0.002 0.000 0.258 319 L C -0.082 176.725 176.870 -0.105 0.000 1.013 319 L CA -0.659 54.133 54.840 -0.081 0.000 0.822 319 L CB 1.972 43.931 42.059 -0.166 0.000 1.388 319 L HN -0.111 nan 8.230 nan 0.000 0.413 320 D N 0.521 120.831 120.400 -0.150 0.000 2.379 320 D HA 0.295 4.937 4.640 0.002 0.000 0.218 320 D C -0.075 175.982 176.300 -0.405 0.000 1.006 320 D CA 0.848 54.692 54.000 -0.259 0.000 0.893 320 D CB 1.387 42.026 40.800 -0.268 0.000 1.019 320 D HN 0.178 nan 8.370 nan 0.000 0.503 321 L N 1.177 122.210 121.223 -0.316 0.000 2.401 321 L HA 0.400 4.742 4.340 0.002 0.000 0.266 321 L C -0.864 175.853 176.870 -0.255 0.000 0.991 321 L CA -0.883 53.782 54.840 -0.292 0.000 0.818 321 L CB 3.261 45.170 42.059 -0.250 0.000 1.321 321 L HN -0.343 nan 8.230 nan 0.000 0.413 322 V N 1.183 120.943 119.914 -0.257 0.000 2.370 322 V HA 0.331 4.453 4.120 0.002 0.000 0.283 322 V C 0.077 176.031 176.094 -0.234 0.000 1.023 322 V CA -0.413 61.678 62.300 -0.349 0.000 0.857 322 V CB 1.542 33.164 31.823 -0.335 0.000 0.985 322 V HN 0.761 nan 8.190 nan 0.000 0.443 323 S N 4.051 119.626 115.700 -0.210 0.000 2.452 323 S HA 0.542 5.014 4.470 0.002 0.000 0.284 323 S C -0.216 174.365 174.600 -0.033 0.000 1.171 323 S CA -0.436 57.713 58.200 -0.085 0.000 1.064 323 S CB 1.311 64.504 63.200 -0.012 0.000 0.967 323 S HN 0.486 nan 8.310 nan 0.000 0.484 324 V N 3.814 123.687 119.914 -0.068 0.000 2.376 324 V HA 0.495 4.616 4.120 0.002 0.000 0.287 324 V C 0.968 177.056 176.094 -0.010 0.000 1.015 324 V CA -0.459 61.748 62.300 -0.154 0.000 0.834 324 V CB 1.094 32.573 31.823 -0.573 0.000 1.001 324 V HN 0.983 nan 8.190 nan 0.000 0.428 325 G N 3.635 112.420 108.800 -0.024 0.000 2.680 325 G HA2 0.038 3.999 3.960 0.002 0.000 0.224 325 G HA3 0.038 3.999 3.960 0.002 0.000 0.224 325 G C 1.238 176.144 174.900 0.011 0.000 1.454 325 G CA -0.063 45.057 45.100 0.032 0.000 0.900 325 G HN 0.542 nan 8.290 nan 0.000 0.570 326 R N 0.634 121.099 120.500 -0.058 0.000 2.139 326 R HA -0.071 4.271 4.340 0.002 0.000 0.243 326 R C 2.803 179.051 176.300 -0.087 0.000 1.145 326 R CA 1.200 57.260 56.100 -0.065 0.000 0.976 326 R CB -0.349 29.871 30.300 -0.134 0.000 0.866 326 R HN 0.347 nan 8.270 nan 0.000 0.449 327 A N -0.036 122.666 122.820 -0.197 0.000 2.019 327 A HA -0.185 4.137 4.320 0.002 0.000 0.219 327 A C 1.444 178.902 177.584 -0.210 0.000 1.164 327 A CA 1.427 53.307 52.037 -0.261 0.000 0.644 327 A CB -0.489 18.164 19.000 -0.577 0.000 0.805 327 A HN 0.392 nan 8.150 nan 0.000 0.449 328 H N -0.946 118.071 119.070 -0.087 0.000 2.512 328 H HA 0.211 4.768 4.556 0.002 0.000 0.279 328 H C 1.765 177.133 175.328 0.066 0.000 0.999 328 H CA 0.896 56.962 56.048 0.031 0.000 1.283 328 H CB 0.062 29.831 29.762 0.012 0.000 1.421 328 H HN 0.390 nan 8.280 nan 0.000 0.554 329 L N -0.564 120.750 121.223 0.153 0.000 2.131 329 L HA -0.006 4.335 4.340 0.002 0.000 0.206 329 L C 2.605 179.525 176.870 0.082 0.000 1.087 329 L CA 0.783 55.712 54.840 0.148 0.000 0.767 329 L CB -0.338 41.794 42.059 0.122 0.000 0.917 329 L HN 0.308 nan 8.230 nan 0.000 0.441 330 A N -0.932 121.909 122.820 0.035 0.000 1.897 330 A HA -0.147 4.174 4.320 0.002 0.000 0.215 330 A C 0.791 178.377 177.584 0.005 0.000 1.181 330 A CA 1.361 53.399 52.037 0.001 0.000 0.620 330 A CB -0.112 18.870 19.000 -0.029 0.000 0.821 330 A HN 0.356 nan 8.150 nan 0.000 0.443 331 D N -2.465 117.956 120.400 0.036 0.000 2.402 331 D HA 0.389 5.030 4.640 0.002 0.000 0.252 331 D C -2.515 173.871 176.300 0.144 0.000 1.294 331 D CA -1.904 52.127 54.000 0.051 0.000 0.948 331 D CB 1.551 42.384 40.800 0.056 0.000 1.202 331 D HN -0.126 nan 8.370 nan 0.000 0.561 332 P HA -0.055 nan 4.420 nan 0.000 0.221 332 P C 0.227 177.802 177.300 0.460 0.000 1.145 332 P CA 1.066 64.304 63.100 0.230 0.000 0.795 332 P CB 0.048 31.783 31.700 0.058 0.000 0.775 333 H N -3.797 115.419 119.070 0.243 0.000 2.550 333 H HA 0.085 4.642 4.556 0.002 0.000 0.304 333 H C 1.101 176.637 175.328 0.347 0.000 1.086 333 H CA -0.643 55.575 56.048 0.282 0.000 1.089 333 H CB -0.411 29.474 29.762 0.206 0.000 1.528 333 H HN 0.185 nan 8.280 nan 0.000 0.539 334 W N 1.870 123.309 121.300 0.231 0.000 2.325 334 W HA -0.307 4.355 4.660 0.002 0.000 0.299 334 W C 2.249 178.926 176.519 0.264 0.000 1.215 334 W CA 1.971 59.390 57.345 0.122 0.000 1.244 334 W CB -0.061 29.191 29.460 -0.347 0.000 1.140 334 W HN 0.271 nan 8.180 nan 0.000 0.523 335 A N -0.598 122.519 122.820 0.496 0.000 1.940 335 A HA -0.293 4.028 4.320 0.002 0.000 0.219 335 A C 1.818 179.549 177.584 0.246 0.000 1.176 335 A CA 1.836 54.096 52.037 0.372 0.000 0.631 335 A CB -1.549 17.736 19.000 0.475 0.000 0.814 335 A HN 0.613 nan 8.150 nan 0.000 0.446 336 Y N -0.633 119.736 120.300 0.114 0.000 2.200 336 Y HA -0.151 4.400 4.550 0.002 0.000 0.290 336 Y C 1.909 177.785 175.900 -0.039 0.000 1.137 336 Y CA 1.455 59.570 58.100 0.025 0.000 1.163 336 Y CB -0.784 37.701 38.460 0.041 0.000 0.988 336 Y HN 0.335 nan 8.280 nan 0.000 0.518 337 F N 1.018 120.727 119.950 -0.402 0.000 2.126 337 F HA -0.130 4.398 4.527 0.002 0.000 0.299 337 F C 2.279 177.742 175.800 -0.561 0.000 1.096 337 F CA 1.793 59.461 58.000 -0.554 0.000 1.255 337 F CB -1.049 37.691 39.000 -0.434 0.000 0.997 337 F HN 0.077 nan 8.300 nan 0.000 0.479 338 A N 0.686 122.953 122.820 -0.921 0.000 1.902 338 A HA -0.035 4.286 4.320 0.002 0.000 0.217 338 A C 2.480 179.823 177.584 -0.401 0.000 1.181 338 A CA 1.926 53.438 52.037 -0.874 0.000 0.623 338 A CB -1.635 16.778 19.000 -0.978 0.000 0.818 338 A HN 0.558 nan 8.150 nan 0.000 0.443 339 A N -0.108 122.540 122.820 -0.286 0.000 1.908 339 A HA -0.208 4.113 4.320 0.002 0.000 0.218 339 A C 2.130 179.460 177.584 -0.423 0.000 1.181 339 A CA 1.949 53.662 52.037 -0.541 0.000 0.627 339 A CB -0.462 18.158 19.000 -0.634 0.000 0.818 339 A HN 0.565 nan 8.150 nan 0.000 0.445 340 K N -0.669 119.456 120.400 -0.459 0.000 2.026 340 K HA -0.121 4.200 4.320 0.002 0.000 0.208 340 K C 2.006 178.393 176.600 -0.354 0.000 1.048 340 K CA 1.280 57.334 56.287 -0.388 0.000 0.929 340 K CB -0.184 32.044 32.500 -0.455 0.000 0.713 340 K HN 0.375 nan 8.250 nan 0.000 0.439 341 E N 0.940 120.837 120.200 -0.506 0.000 2.118 341 E HA -0.155 4.196 4.350 0.002 0.000 0.195 341 E C 1.749 178.199 176.600 -0.250 0.000 0.992 341 E CA 1.094 57.234 56.400 -0.433 0.000 0.804 341 E CB -0.027 29.264 29.700 -0.682 0.000 0.741 341 E HN 0.328 nan 8.360 nan 0.000 0.458 342 L N -0.223 120.870 121.223 -0.216 0.000 2.629 342 L HA 0.180 4.521 4.340 0.002 0.000 0.230 342 L C 1.034 177.845 176.870 -0.098 0.000 1.151 342 L CA 0.211 54.991 54.840 -0.101 0.000 0.924 342 L CB -0.191 41.867 42.059 -0.001 0.000 1.137 342 L HN 0.133 nan 8.230 nan 0.000 0.457 343 G N 0.960 109.676 108.800 -0.140 0.000 2.273 343 G HA2 -0.252 3.710 3.960 0.002 0.000 0.280 343 G HA3 -0.252 3.710 3.960 0.002 0.000 0.280 343 G C 0.215 175.044 174.900 -0.119 0.000 1.047 343 G CA 0.111 45.142 45.100 -0.115 0.000 0.869 343 G HN 0.147 nan 8.290 nan 0.000 0.502 344 V N 0.225 120.025 119.914 -0.191 0.000 2.740 344 V HA 0.164 4.285 4.120 0.002 0.000 0.303 344 V C 1.083 177.089 176.094 -0.147 0.000 1.054 344 V CA -0.110 62.059 62.300 -0.218 0.000 1.106 344 V CB 1.079 32.611 31.823 -0.484 0.000 0.957 344 V HN 0.518 nan 8.190 nan 0.000 0.486 345 E N 4.110 124.253 120.200 -0.095 0.000 2.376 345 E HA 0.164 4.515 4.350 0.002 0.000 0.266 345 E C 0.034 176.617 176.600 -0.029 0.000 1.009 345 E CA -0.282 56.087 56.400 -0.051 0.000 0.902 345 E CB 0.177 29.855 29.700 -0.036 0.000 0.972 345 E HN 0.525 nan 8.360 nan 0.000 0.439 346 K N 1.045 121.457 120.400 0.019 0.000 3.150 346 K HA -0.288 4.033 4.320 0.002 0.000 0.267 346 K C 0.720 177.400 176.600 0.132 0.000 1.028 346 K CA 0.247 56.607 56.287 0.122 0.000 0.753 346 K CB -1.514 31.049 32.500 0.106 0.000 1.288 346 K HN 0.688 nan 8.250 nan 0.000 0.473 347 A N 0.856 123.701 122.820 0.042 0.000 1.948 347 A HA -0.251 4.070 4.320 0.002 0.000 0.220 347 A C 2.189 179.872 177.584 0.165 0.000 1.177 347 A CA 2.182 54.218 52.037 -0.001 0.000 0.636 347 A CB -0.455 18.496 19.000 -0.082 0.000 0.815 347 A HN 0.723 nan 8.150 nan 0.000 0.449 348 S N -1.865 113.943 115.700 0.180 0.000 2.419 348 S HA -0.194 4.277 4.470 0.002 0.000 0.233 348 S C 1.318 175.745 174.600 -0.288 0.000 1.016 348 S CA 1.039 59.204 58.200 -0.058 0.000 0.974 348 S CB -0.782 62.290 63.200 -0.212 0.000 0.786 348 S HN 0.678 nan 8.310 nan 0.000 0.492 349 W N 2.285 123.570 121.300 -0.026 0.000 3.310 349 W HA 0.299 4.961 4.660 0.002 0.000 0.259 349 W C 1.821 178.332 176.519 -0.013 0.000 1.324 349 W CA 0.250 57.575 57.345 -0.034 0.000 1.636 349 W CB -0.742 28.696 29.460 -0.036 0.000 1.104 349 W HN 0.252 nan 8.180 nan 0.000 0.722 350 T N 0.406 115.017 114.554 0.096 0.000 3.023 350 T HA 0.045 4.396 4.350 0.002 0.000 0.266 350 T C 0.918 175.654 174.700 0.059 0.000 1.093 350 T CA 0.671 62.844 62.100 0.122 0.000 1.129 350 T CB -0.029 68.938 68.868 0.166 0.000 0.899 350 T HN -0.132 nan 8.240 nan 0.000 0.491 351 L N 0.752 121.930 121.223 -0.076 0.000 2.365 351 L HA 0.450 4.792 4.340 0.002 0.000 0.267 351 L C -2.399 174.372 176.870 -0.166 0.000 1.033 351 L CA -2.853 51.896 54.840 -0.152 0.000 0.802 351 L CB 0.697 42.595 42.059 -0.268 0.000 1.267 351 L HN -0.206 nan 8.230 nan 0.000 0.457 352 P HA 0.049 nan 4.420 nan 0.000 0.272 352 P C 0.021 177.144 177.300 -0.295 0.000 1.230 352 P CA -0.118 62.865 63.100 -0.194 0.000 0.788 352 P CB 0.719 32.252 31.700 -0.279 0.000 0.949 353 A N 4.170 126.892 122.820 -0.163 0.000 1.927 353 A HA -0.165 4.156 4.320 0.002 0.000 0.220 353 A C -0.443 177.027 177.584 -0.190 0.000 1.185 353 A CA 2.084 54.002 52.037 -0.198 0.000 0.639 353 A CB -2.590 16.490 19.000 0.134 0.000 0.820 353 A HN 0.521 nan 8.150 nan 0.000 0.451 354 P HA -0.128 nan 4.420 nan 0.000 0.223 354 P C 0.466 177.915 177.300 0.247 0.000 1.144 354 P CA 1.152 64.260 63.100 0.014 0.000 0.783 354 P CB -0.039 31.560 31.700 -0.169 0.000 0.771 355 Y N -1.741 118.548 120.300 -0.018 0.000 2.576 355 Y HA 0.372 4.923 4.550 0.002 0.000 0.282 355 Y C 2.485 178.242 175.900 -0.237 0.000 1.139 355 Y CA -0.304 57.770 58.100 -0.044 0.000 1.265 355 Y CB -1.440 36.916 38.460 -0.175 0.000 1.376 355 Y HN -0.196 nan 8.280 nan 0.000 0.511 356 A N 0.171 122.742 122.820 -0.415 0.000 1.917 356 A HA -0.326 3.995 4.320 0.002 0.000 0.219 356 A C 1.998 179.058 177.584 -0.874 0.000 1.182 356 A CA 2.492 53.969 52.037 -0.932 0.000 0.633 356 A CB -1.290 16.617 19.000 -1.822 0.000 0.819 356 A HN 0.624 nan 8.150 nan 0.000 0.448 357 H N -1.906 116.646 119.070 -0.864 0.000 2.387 357 H HA -0.201 4.356 4.556 0.002 0.000 0.299 357 H C 1.486 176.387 175.328 -0.711 0.000 1.099 357 H CA 2.276 57.901 56.048 -0.705 0.000 1.315 357 H CB -0.245 28.980 29.762 -0.895 0.000 1.380 357 H HN 0.728 nan 8.280 nan 0.000 0.513 358 W N -0.624 120.615 121.300 -0.102 0.000 3.197 358 W HA 0.229 4.891 4.660 0.002 0.000 0.274 358 W C 1.306 177.759 176.519 -0.109 0.000 1.297 358 W CA -0.087 57.202 57.345 -0.093 0.000 1.662 358 W CB 0.333 29.789 29.460 -0.007 0.000 1.106 358 W HN 0.106 nan 8.180 nan 0.000 0.663 359 L N 0.452 121.657 121.223 -0.030 0.000 2.590 359 L HA 0.163 4.504 4.340 0.002 0.000 0.227 359 L C 1.365 178.227 176.870 -0.013 0.000 1.099 359 L CA 0.041 54.868 54.840 -0.023 0.000 0.872 359 L CB -0.445 41.526 42.059 -0.146 0.000 1.088 359 L HN -0.018 nan 8.230 nan 0.000 0.479 360 E N 0.000 120.150 120.200 -0.083 0.000 2.725 360 E HA 0.000 4.351 4.350 0.002 0.000 0.291 360 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 360 E CB 0.000 29.727 29.700 0.045 0.000 0.812 360 E HN 0.000 nan 8.360 nan 0.000 0.440