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 3oxo_1_B DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKXXX DATA SEQUENCE XXXXXXXXXX XVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.694 174.700 -0.010 0.000 1.109 1 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 1 T CB 0.000 68.787 68.868 -0.135 0.000 0.612 2 K N 3.014 123.425 120.400 0.017 0.000 2.248 2 K HA 0.581 4.902 4.320 0.002 0.000 0.281 2 K C -0.890 175.705 176.600 -0.008 0.000 1.054 2 K CA -0.539 55.776 56.287 0.047 0.000 0.903 2 K CB 0.416 32.952 32.500 0.060 0.000 1.077 2 K HN 0.367 nan 8.250 nan 0.000 0.474 3 F N 3.693 123.631 119.950 -0.019 0.000 2.384 3 F HA 0.280 4.807 4.527 0.002 0.000 0.338 3 F C -0.262 175.477 175.800 -0.101 0.000 1.103 3 F CA -0.024 58.000 58.000 0.039 0.000 1.157 3 F CB 0.620 39.629 39.000 0.015 0.000 1.167 3 F HN 0.411 nan 8.300 nan 0.000 0.529 4 Y N -0.297 120.109 120.300 0.177 0.000 2.485 4 Y HA 0.306 4.857 4.550 0.002 0.000 0.345 4 Y C 1.062 177.033 175.900 0.117 0.000 0.998 4 Y CA -0.941 57.231 58.100 0.119 0.000 1.059 4 Y CB 1.975 40.479 38.460 0.073 0.000 1.234 4 Y HN 0.608 nan 8.280 nan 0.000 0.461 5 T N -3.480 111.210 114.554 0.227 0.000 3.037 5 T HA 0.103 4.454 4.350 0.002 0.000 0.252 5 T C -0.106 174.675 174.700 0.136 0.000 1.073 5 T CA 0.312 62.504 62.100 0.152 0.000 1.091 5 T CB 0.154 69.079 68.868 0.095 0.000 0.935 5 T HN 0.439 nan 8.240 nan 0.000 0.488 6 D N 0.349 120.848 120.400 0.165 0.000 2.492 6 D HA 0.685 5.326 4.640 0.002 0.000 0.248 6 D C 0.947 177.300 176.300 0.089 0.000 1.101 6 D CA -0.425 53.640 54.000 0.109 0.000 0.840 6 D CB 1.754 42.612 40.800 0.096 0.000 1.209 6 D HN 0.050 nan 8.370 nan 0.000 0.524 7 A N 2.971 125.808 122.820 0.029 0.000 1.930 7 A HA -0.056 4.265 4.320 0.002 0.000 0.217 7 A C 2.040 179.589 177.584 -0.058 0.000 1.175 7 A CA 1.188 53.209 52.037 -0.027 0.000 0.627 7 A CB -0.449 18.532 19.000 -0.032 0.000 0.815 7 A HN 0.503 nan 8.150 nan 0.000 0.443 8 V N -0.051 119.845 119.914 -0.030 0.000 2.407 8 V HA -0.237 3.884 4.120 0.002 0.000 0.248 8 V C 2.533 178.608 176.094 -0.032 0.000 1.055 8 V CA 2.343 64.621 62.300 -0.037 0.000 1.049 8 V CB -0.692 31.121 31.823 -0.018 0.000 0.662 8 V HN 0.652 nan 8.190 nan 0.000 0.455 9 E N 0.589 120.799 120.200 0.018 0.000 2.153 9 E HA -0.152 4.199 4.350 0.002 0.000 0.194 9 E C 2.120 178.704 176.600 -0.027 0.000 0.988 9 E CA 1.377 57.825 56.400 0.080 0.000 0.811 9 E CB -0.412 29.419 29.700 0.219 0.000 0.746 9 E HN 0.558 nan 8.360 nan 0.000 0.466 10 A N -0.258 122.393 122.820 -0.281 0.000 2.066 10 A HA -0.046 4.275 4.320 0.002 0.000 0.218 10 A C 1.921 179.317 177.584 -0.314 0.000 1.157 10 A CA 1.463 53.075 52.037 -0.709 0.000 0.670 10 A CB -0.107 18.436 19.000 -0.760 0.000 0.804 10 A HN 0.300 nan 8.150 nan 0.000 0.453 11 V N -2.973 116.826 119.914 -0.192 0.000 3.432 11 V HA 0.169 4.290 4.120 0.002 0.000 0.298 11 V C 1.405 177.384 176.094 -0.192 0.000 1.464 11 V CA 0.610 62.793 62.300 -0.194 0.000 1.046 11 V CB -0.482 31.228 31.823 -0.188 0.000 0.887 11 V HN 0.582 nan 8.190 nan 0.000 0.441 12 K N 2.105 122.439 120.400 -0.110 0.000 2.362 12 K HA -0.109 4.213 4.320 0.002 0.000 0.200 12 K C 1.149 177.701 176.600 -0.079 0.000 1.046 12 K CA 1.691 57.930 56.287 -0.079 0.000 0.952 12 K CB -0.325 32.159 32.500 -0.026 0.000 0.753 12 K HN 0.627 nan 8.250 nan 0.000 0.466 13 D N 1.177 121.531 120.400 -0.076 0.000 2.342 13 D HA 0.029 4.670 4.640 0.002 0.000 0.221 13 D C 0.346 176.585 176.300 -0.103 0.000 1.101 13 D CA -0.342 53.646 54.000 -0.021 0.000 0.837 13 D CB -0.143 40.716 40.800 0.098 0.000 0.938 13 D HN 0.249 nan 8.370 nan 0.000 0.508 14 I N 2.945 123.291 120.570 -0.374 0.000 2.517 14 I HA 0.094 4.265 4.170 0.002 0.000 0.285 14 I C -1.821 174.174 176.117 -0.202 0.000 1.106 14 I CA -1.418 59.544 61.300 -0.563 0.000 1.402 14 I CB 0.583 38.126 38.000 -0.763 0.000 1.399 14 I HN -0.171 nan 8.210 nan 0.000 0.535 15 P HA 0.137 nan 4.420 nan 0.000 0.276 15 P C -0.910 176.373 177.300 -0.029 0.000 1.244 15 P CA -0.592 62.499 63.100 -0.016 0.000 0.801 15 P CB 0.551 32.276 31.700 0.043 0.000 1.006 16 N N 0.339 119.026 118.700 -0.022 0.000 2.454 16 N HA 0.173 4.914 4.740 0.002 0.000 0.254 16 N C 1.600 177.107 175.510 -0.005 0.000 1.228 16 N CA 1.430 54.468 53.050 -0.021 0.000 0.900 16 N CB -0.392 38.085 38.487 -0.016 0.000 1.089 16 N HN 0.807 nan 8.380 nan 0.000 0.449 17 G N -0.624 108.172 108.800 -0.007 0.000 2.179 17 G HA2 -0.253 3.708 3.960 0.002 0.000 0.260 17 G HA3 -0.253 3.708 3.960 0.002 0.000 0.260 17 G C 0.330 175.240 174.900 0.017 0.000 0.977 17 G CA 0.398 45.500 45.100 0.004 0.000 0.641 17 G HN 0.937 nan 8.290 nan 0.000 0.533 18 A N -0.063 122.771 122.820 0.022 0.000 2.425 18 A HA 0.612 4.933 4.320 0.002 0.000 0.242 18 A C 0.755 178.370 177.584 0.052 0.000 1.077 18 A CA 1.239 53.313 52.037 0.061 0.000 0.781 18 A CB 0.329 19.379 19.000 0.083 0.000 1.020 18 A HN 0.780 nan 8.150 nan 0.000 0.494 19 T N 1.826 116.425 114.554 0.076 0.000 2.728 19 T HA 0.474 4.825 4.350 0.002 0.000 0.296 19 T C -0.413 174.341 174.700 0.090 0.000 0.940 19 T CA -0.122 62.014 62.100 0.060 0.000 1.013 19 T CB 0.458 69.356 68.868 0.050 0.000 0.912 19 T HN 0.419 nan 8.240 nan 0.000 0.484 20 V N 5.784 125.733 119.914 0.059 0.000 2.444 20 V HA 0.387 4.508 4.120 0.002 0.000 0.294 20 V C 0.028 176.147 176.094 0.041 0.000 1.022 20 V CA -0.968 61.376 62.300 0.074 0.000 0.850 20 V CB 1.418 33.260 31.823 0.031 0.000 0.992 20 V HN 0.756 nan 8.190 nan 0.000 0.426 21 L N 5.246 126.504 121.223 0.059 0.000 2.349 21 L HA 0.578 4.919 4.340 0.002 0.000 0.275 21 L C -0.491 176.399 176.870 0.033 0.000 1.115 21 L CA -0.459 54.405 54.840 0.039 0.000 0.820 21 L CB 1.164 43.257 42.059 0.056 0.000 1.135 21 L HN 0.357 nan 8.230 nan 0.000 0.445 22 V N 1.845 121.763 119.914 0.005 0.000 2.483 22 V HA 0.442 4.563 4.120 0.002 0.000 0.297 22 V C 0.680 176.784 176.094 0.016 0.000 1.027 22 V CA -0.703 61.598 62.300 0.002 0.000 0.855 22 V CB 1.423 33.224 31.823 -0.037 0.000 0.995 22 V HN 0.902 nan 8.190 nan 0.000 0.424 23 G N 2.367 111.204 108.800 0.061 0.000 2.594 23 G HA2 0.571 4.532 3.960 0.002 0.000 0.243 23 G HA3 0.571 4.532 3.960 0.002 0.000 0.243 23 G C 0.278 175.236 174.900 0.096 0.000 1.229 23 G CA 0.478 45.643 45.100 0.109 0.000 0.843 23 G HN 1.667 nan 8.290 nan 0.000 0.578 24 G N -1.030 107.864 108.800 0.157 0.000 2.379 24 G HA2 0.348 4.309 3.960 0.002 0.000 0.609 24 G HA3 0.348 4.309 3.960 0.002 0.000 0.609 24 G C -1.270 173.773 174.900 0.238 0.000 1.484 24 G CA -0.818 44.382 45.100 0.166 0.000 0.921 24 G HN 1.010 nan 8.290 nan 0.000 0.658 25 F N 3.077 123.097 119.950 0.117 0.000 2.403 25 F HA 0.561 5.089 4.527 0.002 0.000 0.355 25 F C 1.208 177.072 175.800 0.107 0.000 1.119 25 F CA 1.371 59.449 58.000 0.131 0.000 1.007 25 F CB 1.102 40.191 39.000 0.148 0.000 1.194 25 F HN 1.930 nan 8.300 nan 0.000 0.443 26 G N 5.134 113.774 108.800 -0.267 0.000 2.634 26 G HA2 -0.351 3.610 3.960 0.002 0.000 0.318 26 G HA3 -0.351 3.610 3.960 0.002 0.000 0.318 26 G C 0.572 175.492 174.900 0.034 0.000 1.207 26 G CA 0.650 45.685 45.100 -0.109 0.000 0.987 26 G HN 0.689 nan 8.290 nan 0.000 0.547 27 L N 0.372 121.654 121.223 0.098 0.000 2.728 27 L HA 0.337 4.678 4.340 0.002 0.000 0.238 27 L C 1.123 178.087 176.870 0.158 0.000 1.143 27 L CA -0.342 54.588 54.840 0.149 0.000 0.937 27 L CB 0.793 42.969 42.059 0.196 0.000 1.225 27 L HN 0.514 nan 8.230 nan 0.000 0.507 28 C N 1.610 121.009 119.300 0.165 0.000 2.303 28 C HA 0.569 5.030 4.460 0.002 0.000 0.341 28 C C 1.583 176.666 174.990 0.155 0.000 1.244 28 C CA 0.215 59.327 59.018 0.157 0.000 1.765 28 C CB -0.949 26.903 27.740 0.185 0.000 2.379 28 C HN 0.830 nan 8.230 nan 0.000 0.530 29 G N 6.118 114.992 108.800 0.124 0.000 2.256 29 G HA2 -0.205 3.756 3.960 0.002 0.000 0.272 29 G HA3 -0.205 3.756 3.960 0.002 0.000 0.272 29 G C -0.174 174.813 174.900 0.145 0.000 1.076 29 G CA 0.489 45.670 45.100 0.136 0.000 0.882 29 G HN 1.354 nan 8.290 nan 0.000 0.497 30 I N -1.937 118.712 120.570 0.133 0.000 2.499 30 I HA 0.663 4.834 4.170 0.002 0.000 0.296 30 I C -1.927 174.253 176.117 0.105 0.000 0.992 30 I CA -3.168 58.188 61.300 0.092 0.000 1.297 30 I CB 1.751 39.773 38.000 0.036 0.000 1.410 30 I HN -0.074 nan 8.210 nan 0.000 0.507 31 P HA 0.110 nan 4.420 nan 0.000 0.238 31 P C 0.166 177.468 177.300 0.003 0.000 1.794 31 P CA -0.154 62.993 63.100 0.078 0.000 1.088 31 P CB 0.180 31.915 31.700 0.058 0.000 1.923 32 E N 1.908 122.114 120.200 0.010 0.000 2.150 32 E HA -0.172 4.179 4.350 0.002 0.000 0.193 32 E C 0.959 177.488 176.600 -0.119 0.000 0.985 32 E CA 0.740 57.066 56.400 -0.124 0.000 0.814 32 E CB -0.440 29.207 29.700 -0.087 0.000 0.752 32 E HN 0.293 nan 8.360 nan 0.000 0.466 33 N N 0.887 119.531 118.700 -0.094 0.000 2.300 33 N HA -0.026 4.715 4.740 0.002 0.000 0.179 33 N C 2.077 177.541 175.510 -0.076 0.000 1.016 33 N CA 0.873 53.857 53.050 -0.110 0.000 0.876 33 N CB 0.036 38.434 38.487 -0.148 0.000 0.979 33 N HN 0.252 nan 8.380 nan 0.000 0.432 34 L N 0.976 122.167 121.223 -0.054 0.000 2.109 34 L HA -0.017 4.324 4.340 0.002 0.000 0.207 34 L C 2.267 179.089 176.870 -0.080 0.000 1.086 34 L CA 0.665 55.470 54.840 -0.058 0.000 0.760 34 L CB -0.317 41.722 42.059 -0.033 0.000 0.910 34 L HN 0.053 nan 8.230 nan 0.000 0.437 35 I N 0.110 120.624 120.570 -0.093 0.000 2.226 35 I HA -0.224 3.948 4.170 0.002 0.000 0.245 35 I C 2.617 178.667 176.117 -0.113 0.000 1.100 35 I CA 1.504 62.733 61.300 -0.117 0.000 1.374 35 I CB -0.796 37.106 38.000 -0.163 0.000 1.057 35 I HN 0.277 nan 8.210 nan 0.000 0.413 36 G N 0.400 109.134 108.800 -0.110 0.000 2.422 36 G HA2 -0.237 3.724 3.960 0.002 0.000 0.218 36 G HA3 -0.237 3.724 3.960 0.002 0.000 0.218 36 G C 1.836 176.695 174.900 -0.068 0.000 1.146 36 G CA 0.794 45.843 45.100 -0.084 0.000 0.769 36 G HN 0.499 nan 8.290 nan 0.000 0.547 37 A N 0.341 123.118 122.820 -0.071 0.000 1.969 37 A HA 0.188 4.509 4.320 0.002 0.000 0.218 37 A C 2.356 179.895 177.584 -0.076 0.000 1.169 37 A CA 0.896 52.892 52.037 -0.067 0.000 0.635 37 A CB -0.277 18.680 19.000 -0.071 0.000 0.810 37 A HN 0.360 nan 8.150 nan 0.000 0.445 38 L N -0.678 120.492 121.223 -0.088 0.000 2.217 38 L HA -0.102 4.239 4.340 0.002 0.000 0.211 38 L C 2.353 179.176 176.870 -0.078 0.000 1.107 38 L CA 0.553 55.336 54.840 -0.095 0.000 0.783 38 L CB -0.411 41.584 42.059 -0.106 0.000 0.919 38 L HN 0.398 nan 8.230 nan 0.000 0.442 39 L N -0.358 120.824 121.223 -0.069 0.000 2.046 39 L HA -0.222 4.119 4.340 0.002 0.000 0.208 39 L C 2.585 179.428 176.870 -0.045 0.000 1.077 39 L CA 1.425 56.232 54.840 -0.055 0.000 0.747 39 L CB -0.409 41.621 42.059 -0.048 0.000 0.896 39 L HN 0.208 nan 8.230 nan 0.000 0.432 40 K N -0.402 119.972 120.400 -0.044 0.000 2.057 40 K HA -0.136 4.185 4.320 0.002 0.000 0.206 40 K C 2.192 178.769 176.600 -0.038 0.000 1.050 40 K CA 1.891 58.157 56.287 -0.035 0.000 0.935 40 K CB -0.388 32.093 32.500 -0.031 0.000 0.715 40 K HN 0.452 nan 8.250 nan 0.000 0.439 41 T N -2.021 112.503 114.554 -0.050 0.000 2.821 41 T HA -0.039 4.312 4.350 0.002 0.000 0.267 41 T C 1.618 176.288 174.700 -0.050 0.000 1.046 41 T CA 1.185 63.253 62.100 -0.053 0.000 1.139 41 T CB -0.463 68.360 68.868 -0.076 0.000 0.871 41 T HN 0.399 nan 8.240 nan 0.000 0.454 42 G N 0.690 109.458 108.800 -0.054 0.000 2.147 42 G HA2 -0.215 3.746 3.960 0.002 0.000 0.244 42 G HA3 -0.215 3.746 3.960 0.002 0.000 0.244 42 G C 0.210 175.079 174.900 -0.052 0.000 1.005 42 G CA 0.150 45.221 45.100 -0.048 0.000 0.713 42 G HN 1.025 nan 8.290 nan 0.000 0.515 43 V N 0.725 120.599 119.914 -0.068 0.000 2.788 43 V HA 0.517 4.638 4.120 0.002 0.000 0.307 43 V C 0.750 176.806 176.094 -0.063 0.000 1.069 43 V CA 1.246 63.503 62.300 -0.072 0.000 1.173 43 V CB 0.683 32.443 31.823 -0.106 0.000 0.925 43 V HN 0.759 nan 8.190 nan 0.000 0.492 44 K N 3.360 123.730 120.400 -0.050 0.000 2.439 44 K HA 0.638 4.959 4.320 0.002 0.000 0.260 44 K C -0.065 176.515 176.600 -0.034 0.000 1.032 44 K CA -0.692 55.571 56.287 -0.041 0.000 0.882 44 K CB 1.431 33.913 32.500 -0.031 0.000 1.420 44 K HN 0.494 nan 8.250 nan 0.000 0.455 45 E N 0.249 120.432 120.200 -0.028 0.000 2.791 45 E HA -0.192 4.159 4.350 0.002 0.000 0.271 45 E C -0.686 175.900 176.600 -0.022 0.000 1.044 45 E CA 0.383 56.771 56.400 -0.020 0.000 0.814 45 E CB -1.456 28.237 29.700 -0.012 0.000 1.400 45 E HN 0.384 nan 8.360 nan 0.000 0.423 46 L N 0.783 121.985 121.223 -0.034 0.000 2.456 46 L HA 0.104 4.445 4.340 0.002 0.000 0.272 46 L C 0.851 177.702 176.870 -0.031 0.000 1.189 46 L CA 0.492 55.312 54.840 -0.034 0.000 0.846 46 L CB 0.512 42.540 42.059 -0.053 0.000 1.111 46 L HN -0.066 nan 8.230 nan 0.000 0.475 47 T N 2.816 117.359 114.554 -0.018 0.000 2.811 47 T HA 0.427 4.778 4.350 0.002 0.000 0.309 47 T C 0.187 174.872 174.700 -0.026 0.000 1.005 47 T CA -0.454 61.635 62.100 -0.020 0.000 0.955 47 T CB 0.776 69.642 68.868 -0.004 0.000 0.970 47 T HN 0.645 nan 8.240 nan 0.000 0.496 48 A N 4.006 126.795 122.820 -0.052 0.000 2.260 48 A HA 0.572 4.893 4.320 0.002 0.000 0.312 48 A C 0.165 177.711 177.584 -0.064 0.000 1.321 48 A CA -0.597 51.403 52.037 -0.063 0.000 0.928 48 A CB 0.238 19.177 19.000 -0.101 0.000 1.158 48 A HN 0.662 nan 8.150 nan 0.000 0.542 49 V N 2.956 122.845 119.914 -0.041 0.000 2.368 49 V HA 0.548 4.669 4.120 0.002 0.000 0.266 49 V C 0.502 176.549 176.094 -0.078 0.000 1.045 49 V CA 0.210 62.483 62.300 -0.046 0.000 0.899 49 V CB 0.484 32.301 31.823 -0.010 0.000 1.006 49 V HN 0.887 nan 8.190 nan 0.000 0.470 50 S N 3.346 118.970 115.700 -0.127 0.000 2.535 50 S HA 0.338 4.809 4.470 0.002 0.000 0.272 50 S C 0.611 175.058 174.600 -0.254 0.000 1.149 50 S CA -0.609 57.483 58.200 -0.180 0.000 0.888 50 S CB 1.752 64.871 63.200 -0.134 0.000 1.110 50 S HN 0.743 nan 8.310 nan 0.000 0.463 51 N N 3.398 121.844 118.700 -0.423 0.000 2.084 51 N HA 0.023 4.764 4.740 0.002 0.000 0.190 51 N C 0.207 175.625 175.510 -0.153 0.000 1.030 51 N CA 1.771 54.554 53.050 -0.444 0.000 0.849 51 N CB -0.078 38.042 38.487 -0.610 0.000 1.012 51 N HN 0.706 nan 8.380 nan 0.000 0.423 52 N N -2.159 116.473 118.700 -0.114 0.000 2.701 52 N HA 0.577 5.318 4.740 0.002 0.000 0.290 52 N C -1.109 174.400 175.510 -0.002 0.000 1.338 52 N CA -0.431 52.610 53.050 -0.014 0.000 0.799 52 N CB 1.545 40.000 38.487 -0.054 0.000 1.491 52 N HN 0.071 nan 8.380 nan 0.000 0.540 53 A N 0.144 123.017 122.820 0.087 0.000 2.577 53 A HA 0.618 4.939 4.320 0.002 0.000 0.280 53 A C 1.074 178.649 177.584 -0.015 0.000 1.331 53 A CA 0.287 52.303 52.037 -0.036 0.000 0.935 53 A CB -1.303 17.651 19.000 -0.077 0.000 1.082 53 A HN 0.938 nan 8.150 nan 0.000 0.525 54 G N -0.456 108.343 108.800 -0.003 0.000 2.596 54 G HA2 -0.131 3.830 3.960 0.002 0.000 0.295 54 G HA3 -0.131 3.830 3.960 0.002 0.000 0.295 54 G C 0.486 175.424 174.900 0.063 0.000 1.240 54 G CA 1.099 46.212 45.100 0.022 0.000 0.985 54 G HN 1.820 nan 8.290 nan 0.000 0.555 55 V N -2.994 116.974 119.914 0.091 0.000 3.204 55 V HA 0.781 4.902 4.120 0.002 0.000 0.316 55 V C 1.227 177.374 176.094 0.089 0.000 1.160 55 V CA 0.755 63.113 62.300 0.096 0.000 1.044 55 V CB 1.328 33.218 31.823 0.111 0.000 1.136 55 V HN 0.680 nan 8.190 nan 0.000 0.455 56 D N 0.601 121.049 120.400 0.079 0.000 2.149 56 D HA -0.157 4.484 4.640 0.002 0.000 0.194 56 D C 0.927 177.269 176.300 0.069 0.000 1.001 56 D CA 2.701 56.741 54.000 0.067 0.000 0.849 56 D CB -0.210 40.623 40.800 0.055 0.000 0.939 56 D HN 0.853 nan 8.370 nan 0.000 0.449 57 N N -1.567 117.193 118.700 0.100 0.000 2.351 57 N HA 0.266 5.008 4.740 0.002 0.000 0.254 57 N C -0.998 174.667 175.510 0.258 0.000 1.241 57 N CA -0.275 52.849 53.050 0.123 0.000 0.883 57 N CB 0.915 39.456 38.487 0.091 0.000 1.202 57 N HN -0.019 nan 8.380 nan 0.000 0.512 58 F N -0.181 119.769 119.950 -0.001 0.000 2.719 58 F HA 0.590 5.118 4.527 0.002 0.000 0.309 58 F C 0.775 176.573 175.800 -0.003 0.000 1.138 58 F CA 0.195 58.195 58.000 0.001 0.000 0.943 58 F CB 0.860 39.866 39.000 0.010 0.000 1.304 58 F HN 0.090 nan 8.300 nan 0.000 0.445 59 G N 2.259 110.714 108.800 -0.575 0.000 2.550 59 G HA2 -0.336 3.625 3.960 0.002 0.000 0.277 59 G HA3 -0.336 3.625 3.960 0.002 0.000 0.277 59 G C 0.451 175.214 174.900 -0.229 0.000 1.190 59 G CA 0.322 45.208 45.100 -0.357 0.000 0.971 59 G HN 1.177 nan 8.290 nan 0.000 0.559 60 L N 2.345 123.476 121.223 -0.153 0.000 2.275 60 L HA 0.257 4.598 4.340 0.002 0.000 0.215 60 L C 3.021 179.801 176.870 -0.151 0.000 1.119 60 L CA 2.905 57.653 54.840 -0.153 0.000 0.790 60 L CB -0.860 41.103 42.059 -0.159 0.000 0.919 60 L HN 0.976 nan 8.230 nan 0.000 0.443 61 G N -0.642 108.092 108.800 -0.110 0.000 2.450 61 G HA2 -0.256 3.705 3.960 0.002 0.000 0.220 61 G HA3 -0.256 3.705 3.960 0.002 0.000 0.220 61 G C 1.593 176.456 174.900 -0.062 0.000 1.130 61 G CA 0.976 46.030 45.100 -0.077 0.000 0.760 61 G HN 0.418 nan 8.290 nan 0.000 0.557 62 L N -0.244 120.939 121.223 -0.066 0.000 2.042 62 L HA -0.054 4.287 4.340 0.002 0.000 0.210 62 L C 2.795 179.625 176.870 -0.067 0.000 1.076 62 L CA 0.752 55.560 54.840 -0.054 0.000 0.749 62 L CB -0.307 41.706 42.059 -0.077 0.000 0.893 62 L HN 0.207 nan 8.230 nan 0.000 0.432 63 L N -0.970 120.197 121.223 -0.095 0.000 2.313 63 L HA -0.137 4.204 4.340 0.002 0.000 0.214 63 L C 2.332 179.145 176.870 -0.094 0.000 1.119 63 L CA 0.540 55.324 54.840 -0.094 0.000 0.809 63 L CB -0.214 41.779 42.059 -0.110 0.000 0.933 63 L HN 0.280 nan 8.230 nan 0.000 0.449 64 L N -0.844 120.313 121.223 -0.110 0.000 2.109 64 L HA -0.169 4.172 4.340 0.002 0.000 0.207 64 L C 2.564 179.402 176.870 -0.054 0.000 1.086 64 L CA 0.770 55.547 54.840 -0.105 0.000 0.760 64 L CB -0.235 41.733 42.059 -0.151 0.000 0.910 64 L HN 0.236 nan 8.230 nan 0.000 0.437 65 Q N 0.139 119.915 119.800 -0.041 0.000 2.124 65 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 65 Q C 2.189 178.177 176.000 -0.019 0.000 0.977 65 Q CA 1.886 57.679 55.803 -0.018 0.000 0.850 65 Q CB 0.004 28.738 28.738 -0.008 0.000 0.901 65 Q HN 0.512 nan 8.270 nan 0.000 0.429 66 S N -1.102 114.580 115.700 -0.030 0.000 2.575 66 S HA 0.146 4.617 4.470 0.002 0.000 0.215 66 S C 0.201 174.783 174.600 -0.030 0.000 0.966 66 S CA 0.060 58.243 58.200 -0.028 0.000 0.911 66 S CB 0.049 63.229 63.200 -0.034 0.000 0.780 66 S HN 0.339 nan 8.310 nan 0.000 0.514 67 K N 0.464 120.845 120.400 -0.033 0.000 3.069 67 K HA -0.236 4.085 4.320 0.002 0.000 0.267 67 K C 0.610 177.188 176.600 -0.036 0.000 1.082 67 K CA 0.977 57.246 56.287 -0.030 0.000 0.782 67 K CB -1.649 30.842 32.500 -0.016 0.000 1.230 67 K HN 0.594 nan 8.250 nan 0.000 0.488 68 Q N -0.198 119.572 119.800 -0.049 0.000 2.432 68 Q HA 0.131 4.472 4.340 0.002 0.000 0.205 68 Q C 0.342 176.306 176.000 -0.059 0.000 0.945 68 Q CA 0.491 56.262 55.803 -0.053 0.000 0.924 68 Q CB 0.337 29.038 28.738 -0.062 0.000 1.016 68 Q HN 0.436 nan 8.270 nan 0.000 0.503 69 I N 0.886 121.414 120.570 -0.069 0.000 2.354 69 I HA 0.100 4.271 4.170 0.002 0.000 0.292 69 I C 0.885 176.969 176.117 -0.055 0.000 0.989 69 I CA -0.245 61.008 61.300 -0.077 0.000 1.188 69 I CB 1.525 39.452 38.000 -0.122 0.000 1.342 69 I HN -0.035 nan 8.210 nan 0.000 0.457 70 K N 5.934 126.311 120.400 -0.039 0.000 2.099 70 K HA 0.154 4.475 4.320 0.002 0.000 0.203 70 K C 0.812 177.405 176.600 -0.011 0.000 1.047 70 K CA 0.538 56.815 56.287 -0.017 0.000 0.963 70 K CB 0.514 33.009 32.500 -0.009 0.000 0.759 70 K HN 0.527 nan 8.250 nan 0.000 0.451 71 R N 0.560 121.046 120.500 -0.024 0.000 2.686 71 R HA 0.282 4.623 4.340 0.002 0.000 0.286 71 R C -1.177 175.091 176.300 -0.054 0.000 0.969 71 R CA -0.618 55.469 56.100 -0.021 0.000 0.898 71 R CB 1.317 31.613 30.300 -0.007 0.000 1.183 71 R HN 0.037 nan 8.270 nan 0.000 0.456 72 M N 5.447 125.012 119.600 -0.059 0.000 2.294 72 M HA 0.405 4.886 4.480 0.002 0.000 0.335 72 M C -0.708 175.569 176.300 -0.038 0.000 1.079 72 M CA -0.551 54.698 55.300 -0.085 0.000 0.982 72 M CB 1.639 34.153 32.600 -0.144 0.000 1.651 72 M HN 0.549 nan 8.290 nan 0.000 0.437 73 I N 2.296 122.841 120.570 -0.042 0.000 2.359 73 I HA 0.406 4.577 4.170 0.002 0.000 0.284 73 I C -0.251 175.841 176.117 -0.041 0.000 1.018 73 I CA -0.091 61.191 61.300 -0.030 0.000 1.173 73 I CB 1.160 39.147 38.000 -0.023 0.000 1.326 73 I HN 0.591 nan 8.210 nan 0.000 0.462 74 S N 2.047 117.733 115.700 -0.024 0.000 2.596 74 S HA 0.296 4.767 4.470 0.002 0.000 0.270 74 S C 0.457 175.051 174.600 -0.011 0.000 1.155 74 S CA -0.551 57.636 58.200 -0.022 0.000 0.827 74 S CB 2.080 65.318 63.200 0.063 0.000 1.130 74 S HN 0.703 nan 8.310 nan 0.000 0.467 75 S N 0.001 115.705 115.700 0.006 0.000 2.499 75 S HA 0.283 4.754 4.470 0.002 0.000 0.225 75 S C -0.177 174.509 174.600 0.142 0.000 1.050 75 S CA 0.112 58.340 58.200 0.047 0.000 0.928 75 S CB -0.003 63.241 63.200 0.074 0.000 0.803 75 S HN 0.715 nan 8.310 nan 0.000 0.506 76 Y N 0.423 120.707 120.300 -0.027 0.000 2.401 76 Y HA 0.538 5.089 4.550 0.002 0.000 0.330 76 Y C 0.322 176.191 175.900 -0.052 0.000 1.071 76 Y CA -1.153 56.928 58.100 -0.031 0.000 1.049 76 Y CB 1.545 39.998 38.460 -0.011 0.000 1.239 76 Y HN -0.137 nan 8.280 nan 0.000 0.437 77 V N 4.866 124.372 119.914 -0.680 0.000 2.302 77 V HA 0.147 4.268 4.120 0.002 0.000 0.243 77 V C 1.551 177.294 176.094 -0.584 0.000 1.036 77 V CA 1.940 63.833 62.300 -0.679 0.000 1.020 77 V CB -1.107 30.162 31.823 -0.924 0.000 0.657 77 V HN 1.264 nan 8.190 nan 0.000 0.453 78 G N 0.771 108.948 108.800 -1.039 0.000 2.527 78 G HA2 -0.246 3.715 3.960 0.002 0.000 0.268 78 G HA3 -0.246 3.715 3.960 0.002 0.000 0.268 78 G C -0.092 174.692 174.900 -0.194 0.000 1.175 78 G CA 0.182 44.944 45.100 -0.562 0.000 0.962 78 G HN 0.426 nan 8.290 nan 0.000 0.560 79 E N 2.074 122.252 120.200 -0.036 0.000 2.341 79 E HA 0.272 4.623 4.350 0.002 0.000 0.279 79 E C 0.145 176.760 176.600 0.025 0.000 1.395 79 E CA -0.295 56.108 56.400 0.005 0.000 1.648 79 E CB -0.050 29.673 29.700 0.040 0.000 1.524 79 E HN 0.401 nan 8.360 nan 0.000 0.462 80 N N 0.737 119.451 118.700 0.023 0.000 2.623 80 N HA 0.225 4.966 4.740 0.002 0.000 0.256 80 N C 0.393 175.953 175.510 0.083 0.000 1.045 80 N CA -0.142 52.961 53.050 0.088 0.000 0.863 80 N CB 1.309 39.910 38.487 0.190 0.000 1.182 80 N HN 0.084 nan 8.380 nan 0.000 0.523 81 A N 2.442 125.296 122.820 0.057 0.000 1.933 81 A HA -0.154 4.167 4.320 0.002 0.000 0.218 81 A C 1.848 179.479 177.584 0.078 0.000 1.175 81 A CA 1.526 53.591 52.037 0.047 0.000 0.628 81 A CB -0.253 18.765 19.000 0.030 0.000 0.814 81 A HN 0.663 nan 8.150 nan 0.000 0.444 82 E N -0.413 119.843 120.200 0.093 0.000 2.077 82 E HA -0.165 4.186 4.350 0.002 0.000 0.193 82 E C 1.692 178.398 176.600 0.177 0.000 0.989 82 E CA 1.340 57.800 56.400 0.100 0.000 0.800 82 E CB -0.517 29.224 29.700 0.068 0.000 0.746 82 E HN 0.634 nan 8.360 nan 0.000 0.452 83 F N 0.904 120.858 119.950 0.007 0.000 2.043 83 F HA -0.281 4.247 4.527 0.002 0.000 0.297 83 F C 2.420 178.257 175.800 0.062 0.000 1.121 83 F CA 1.794 59.800 58.000 0.010 0.000 1.199 83 F CB -0.092 38.888 39.000 -0.034 0.000 0.968 83 F HN 0.158 nan 8.300 nan 0.000 0.478 84 E N 0.331 120.646 120.200 0.192 0.000 2.085 84 E HA -0.297 4.054 4.350 0.002 0.000 0.194 84 E C 2.389 179.069 176.600 0.134 0.000 0.994 84 E CA 1.242 57.695 56.400 0.089 0.000 0.801 84 E CB -0.235 29.462 29.700 -0.006 0.000 0.743 84 E HN 0.336 nan 8.360 nan 0.000 0.453 85 R N 0.226 120.793 120.500 0.111 0.000 2.070 85 R HA -0.191 4.150 4.340 0.002 0.000 0.232 85 R C 2.427 178.789 176.300 0.103 0.000 1.138 85 R CA 2.041 58.185 56.100 0.073 0.000 0.936 85 R CB -0.160 30.174 30.300 0.056 0.000 0.839 85 R HN 0.283 nan 8.270 nan 0.000 0.429 86 Q N -0.935 118.959 119.800 0.156 0.000 2.135 86 Q HA -0.237 4.104 4.340 0.002 0.000 0.204 86 Q C 1.919 178.064 176.000 0.241 0.000 0.981 86 Q CA 1.787 57.688 55.803 0.163 0.000 0.856 86 Q CB -0.258 28.571 28.738 0.151 0.000 0.902 86 Q HN 0.411 nan 8.270 nan 0.000 0.425 87 Y N 1.124 121.529 120.300 0.175 0.000 2.133 87 Y HA -0.167 4.384 4.550 0.002 0.000 0.287 87 Y C 1.771 177.802 175.900 0.218 0.000 1.134 87 Y CA 1.264 59.488 58.100 0.206 0.000 1.133 87 Y CB -0.395 38.188 38.460 0.204 0.000 0.987 87 Y HN -0.001 nan 8.280 nan 0.000 0.502 88 L N -0.251 120.947 121.223 -0.041 0.000 2.141 88 L HA -0.147 4.194 4.340 0.002 0.000 0.209 88 L C 2.623 179.378 176.870 -0.191 0.000 1.094 88 L CA 1.069 55.736 54.840 -0.288 0.000 0.763 88 L CB -0.807 41.105 42.059 -0.246 0.000 0.908 88 L HN 0.308 nan 8.230 nan 0.000 0.437 89 A N -0.510 122.284 122.820 -0.042 0.000 2.066 89 A HA 0.159 4.480 4.320 0.002 0.000 0.218 89 A C 1.814 179.411 177.584 0.023 0.000 1.157 89 A CA 1.034 53.060 52.037 -0.018 0.000 0.670 89 A CB -0.425 18.582 19.000 0.013 0.000 0.804 89 A HN 0.527 nan 8.150 nan 0.000 0.453 90 G N -1.119 107.729 108.800 0.080 0.000 2.131 90 G HA2 -0.228 3.733 3.960 0.002 0.000 0.223 90 G HA3 -0.228 3.733 3.960 0.002 0.000 0.223 90 G C 0.419 175.378 174.900 0.097 0.000 0.990 90 G CA 0.587 45.754 45.100 0.112 0.000 0.671 90 G HN 0.562 nan 8.290 nan 0.000 0.521 91 E N -1.341 118.920 120.200 0.102 0.000 2.276 91 E HA 0.332 4.683 4.350 0.002 0.000 0.193 91 E C 0.668 177.325 176.600 0.095 0.000 0.983 91 E CA 0.290 56.739 56.400 0.081 0.000 0.861 91 E CB 0.579 30.319 29.700 0.066 0.000 0.817 91 E HN 0.393 nan 8.360 nan 0.000 0.485 92 L N 1.415 122.731 121.223 0.154 0.000 2.385 92 L HA 0.302 4.643 4.340 0.002 0.000 0.273 92 L C -1.049 175.952 176.870 0.218 0.000 0.990 92 L CA -0.556 54.378 54.840 0.156 0.000 0.821 92 L CB 1.831 43.991 42.059 0.170 0.000 1.279 92 L HN -0.205 nan 8.230 nan 0.000 0.412 93 E N 3.301 123.580 120.200 0.131 0.000 2.301 93 E HA 0.566 4.917 4.350 0.002 0.000 0.275 93 E C -1.276 175.372 176.600 0.080 0.000 1.030 93 E CA -0.502 55.972 56.400 0.123 0.000 0.852 93 E CB 1.850 31.587 29.700 0.061 0.000 1.060 93 E HN 0.400 nan 8.360 nan 0.000 0.401 94 V N 3.199 123.142 119.914 0.048 0.000 2.532 94 V HA 0.101 4.222 4.120 0.002 0.000 0.294 94 V C -0.728 175.322 176.094 -0.073 0.000 1.036 94 V CA -0.726 61.519 62.300 -0.092 0.000 0.876 94 V CB 1.619 33.158 31.823 -0.473 0.000 1.012 94 V HN 0.667 nan 8.190 nan 0.000 0.432 95 E N 5.026 125.204 120.200 -0.037 0.000 1.963 95 E HA 0.361 4.712 4.350 0.002 0.000 0.274 95 E C -0.660 175.920 176.600 -0.033 0.000 1.061 95 E CA -0.340 56.047 56.400 -0.023 0.000 0.847 95 E CB 1.050 30.741 29.700 -0.014 0.000 1.083 95 E HN 0.543 nan 8.360 nan 0.000 0.402 96 L N 3.495 124.698 121.223 -0.032 0.000 2.433 96 L HA 0.114 4.455 4.340 0.002 0.000 0.275 96 L C 0.140 176.977 176.870 -0.055 0.000 1.128 96 L CA 0.349 55.170 54.840 -0.031 0.000 0.875 96 L CB 0.165 42.240 42.059 0.027 0.000 1.171 96 L HN 0.376 nan 8.230 nan 0.000 0.463 97 T N 4.098 118.616 114.554 -0.060 0.000 2.824 97 T HA 0.365 4.716 4.350 0.002 0.000 0.282 97 T C -2.508 172.137 174.700 -0.091 0.000 0.993 97 T CA -1.645 60.414 62.100 -0.069 0.000 0.967 97 T CB 1.881 70.730 68.868 -0.032 0.000 0.960 97 T HN 0.212 nan 8.240 nan 0.000 0.441 98 P HA 0.055 nan 4.420 nan 0.000 0.262 98 P C 0.837 178.043 177.300 -0.157 0.000 1.182 98 P CA 0.127 63.126 63.100 -0.169 0.000 0.761 98 P CB 0.597 32.187 31.700 -0.183 0.000 0.795 99 Q N 3.235 122.931 119.800 -0.175 0.000 2.045 99 Q HA -0.196 4.145 4.340 0.002 0.000 0.206 99 Q C 2.124 177.922 176.000 -0.337 0.000 0.991 99 Q CA 2.402 58.159 55.803 -0.076 0.000 0.851 99 Q CB -0.823 27.995 28.738 0.134 0.000 0.911 99 Q HN 0.679 nan 8.270 nan 0.000 0.418 100 G N -0.842 107.210 108.800 -1.246 0.000 2.422 100 G HA2 -0.239 3.722 3.960 0.002 0.000 0.218 100 G HA3 -0.239 3.722 3.960 0.002 0.000 0.218 100 G C 1.330 176.091 174.900 -0.232 0.000 1.146 100 G CA 1.252 45.720 45.100 -1.053 0.000 0.769 100 G HN 0.374 nan 8.290 nan 0.000 0.547 101 T N 1.005 115.472 114.554 -0.145 0.000 2.777 101 T HA -0.098 4.253 4.350 0.002 0.000 0.266 101 T C 2.241 177.012 174.700 0.118 0.000 1.040 101 T CA 1.071 63.206 62.100 0.059 0.000 1.141 101 T CB -0.226 68.656 68.868 0.022 0.000 0.868 101 T HN 0.125 nan 8.240 nan 0.000 0.444 102 L N 1.467 122.742 121.223 0.087 0.000 2.042 102 L HA -0.034 4.307 4.340 0.002 0.000 0.210 102 L C 2.565 179.595 176.870 0.266 0.000 1.076 102 L CA 1.946 56.887 54.840 0.168 0.000 0.749 102 L CB -0.966 41.193 42.059 0.166 0.000 0.893 102 L HN 0.236 nan 8.230 nan 0.000 0.432 103 A N -1.150 121.833 122.820 0.271 0.000 1.898 103 A HA -0.202 4.119 4.320 0.002 0.000 0.216 103 A C 2.260 179.869 177.584 0.043 0.000 1.181 103 A CA 1.577 53.698 52.037 0.140 0.000 0.620 103 A CB -0.603 18.374 19.000 -0.038 0.000 0.819 103 A HN 0.495 nan 8.150 nan 0.000 0.442 104 E N 0.052 120.269 120.200 0.028 0.000 2.152 104 E HA -0.072 4.279 4.350 0.002 0.000 0.192 104 E C 2.125 178.693 176.600 -0.055 0.000 0.983 104 E CA 1.062 57.387 56.400 -0.125 0.000 0.818 104 E CB -0.188 29.353 29.700 -0.265 0.000 0.758 104 E HN 0.583 nan 8.360 nan 0.000 0.467 105 R N -0.287 120.339 120.500 0.209 0.000 2.090 105 R HA 0.036 4.377 4.340 0.002 0.000 0.228 105 R C 2.386 178.771 176.300 0.141 0.000 1.110 105 R CA 1.319 57.590 56.100 0.285 0.000 0.973 105 R CB -0.268 30.176 30.300 0.240 0.000 0.869 105 R HN 0.257 nan 8.270 nan 0.000 0.440 106 I N 0.320 120.956 120.570 0.110 0.000 2.252 106 I HA -0.271 3.900 4.170 0.002 0.000 0.245 106 I C 2.779 178.911 176.117 0.025 0.000 1.102 106 I CA 1.133 62.481 61.300 0.079 0.000 1.385 106 I CB -0.245 37.826 38.000 0.118 0.000 1.064 106 I HN 0.145 nan 8.210 nan 0.000 0.414 107 R N 1.259 121.750 120.500 -0.015 0.000 2.073 107 R HA -0.195 4.146 4.340 0.002 0.000 0.234 107 R C 2.417 178.685 176.300 -0.052 0.000 1.134 107 R CA 1.717 57.777 56.100 -0.067 0.000 0.952 107 R CB -0.327 29.901 30.300 -0.120 0.000 0.850 107 R HN 0.344 nan 8.270 nan 0.000 0.433 108 A N 0.340 123.131 122.820 -0.049 0.000 1.917 108 A HA -0.146 4.175 4.320 0.002 0.000 0.219 108 A C 2.346 179.951 177.584 0.035 0.000 1.182 108 A CA 1.947 53.983 52.037 -0.001 0.000 0.633 108 A CB -1.333 17.729 19.000 0.103 0.000 0.819 108 A HN 0.611 nan 8.150 nan 0.000 0.448 109 G N -1.265 107.563 108.800 0.047 0.000 2.470 109 G HA2 0.100 4.061 3.960 0.002 0.000 0.220 109 G HA3 0.100 4.061 3.960 0.002 0.000 0.220 109 G C 1.285 176.207 174.900 0.036 0.000 1.121 109 G CA 1.215 46.342 45.100 0.045 0.000 0.766 109 G HN 0.773 nan 8.290 nan 0.000 0.553 110 G N -0.211 108.601 108.800 0.020 0.000 2.796 110 G HA2 0.339 4.300 3.960 0.002 0.000 0.210 110 G HA3 0.339 4.300 3.960 0.002 0.000 0.210 110 G C 1.343 176.271 174.900 0.047 0.000 1.146 110 G CA 0.963 46.080 45.100 0.028 0.000 0.779 110 G HN 0.541 nan 8.290 nan 0.000 0.535 111 A N -0.206 122.628 122.820 0.024 0.000 2.423 111 A HA 0.524 4.845 4.320 0.002 0.000 0.246 111 A C 1.773 179.374 177.584 0.029 0.000 1.278 111 A CA 0.970 53.023 52.037 0.026 0.000 0.903 111 A CB -0.339 18.656 19.000 -0.009 0.000 0.997 111 A HN 1.390 nan 8.150 nan 0.000 0.510 112 G N -1.141 107.681 108.800 0.035 0.000 2.143 112 G HA2 -0.193 3.768 3.960 0.002 0.000 0.248 112 G HA3 -0.193 3.768 3.960 0.002 0.000 0.248 112 G C 0.074 174.994 174.900 0.033 0.000 0.991 112 G CA 0.284 45.404 45.100 0.034 0.000 0.689 112 G HN 0.837 nan 8.290 nan 0.000 0.522 113 V N 1.840 121.776 119.914 0.037 0.000 2.350 113 V HA 0.376 4.497 4.120 0.002 0.000 0.276 113 V C -0.132 176.007 176.094 0.075 0.000 1.028 113 V CA -0.681 61.651 62.300 0.053 0.000 0.860 113 V CB 1.701 33.554 31.823 0.049 0.000 0.990 113 V HN 0.167 nan 8.190 nan 0.000 0.453 114 P HA 0.153 nan 4.420 nan 0.000 0.224 114 P C 0.214 177.540 177.300 0.044 0.000 1.157 114 P CA 0.785 63.913 63.100 0.047 0.000 0.799 114 P CB 0.855 32.571 31.700 0.026 0.000 0.809 115 A N -0.911 121.942 122.820 0.056 0.000 2.610 115 A HA 0.687 5.008 4.320 0.002 0.000 0.291 115 A C -1.499 176.114 177.584 0.048 0.000 1.086 115 A CA -0.623 51.394 52.037 -0.033 0.000 0.677 115 A CB 0.649 19.556 19.000 -0.156 0.000 1.278 115 A HN 0.124 nan 8.150 nan 0.000 0.414 116 F N -2.045 117.790 119.950 -0.191 0.000 2.741 116 F HA 0.813 5.341 4.527 0.002 0.000 0.313 116 F C -1.870 173.769 175.800 -0.268 0.000 1.153 116 F CA -1.334 56.565 58.000 -0.168 0.000 0.931 116 F CB 0.720 39.676 39.000 -0.074 0.000 1.335 116 F HN 0.505 nan 8.300 nan 0.000 0.460 117 Y N 0.109 120.470 120.300 0.102 0.000 2.420 117 Y HA 0.689 5.240 4.550 0.002 0.000 0.334 117 Y C 0.280 176.308 175.900 0.215 0.000 1.094 117 Y CA -0.602 57.525 58.100 0.045 0.000 1.126 117 Y CB 2.183 40.617 38.460 -0.044 0.000 1.217 117 Y HN 0.898 nan 8.280 nan 0.000 0.462 118 T N -0.309 114.515 114.554 0.449 0.000 2.932 118 T HA 0.260 4.611 4.350 0.002 0.000 0.318 118 T C 0.369 175.355 174.700 0.477 0.000 1.265 118 T CA -0.198 62.191 62.100 0.481 0.000 1.036 118 T CB 0.866 69.950 68.868 0.359 0.000 1.209 118 T HN 0.655 nan 8.240 nan 0.000 0.484 119 S N 1.523 117.437 115.700 0.357 0.000 2.528 119 S HA 0.116 4.587 4.470 0.002 0.000 0.219 119 S C 0.859 175.514 174.600 0.092 0.000 0.985 119 S CA 0.025 58.241 58.200 0.026 0.000 0.914 119 S CB -0.392 62.650 63.200 -0.262 0.000 0.776 119 S HN 0.751 nan 8.310 nan 0.000 0.526 120 T N 2.832 117.453 114.554 0.111 0.000 2.792 120 T HA 0.446 4.797 4.350 0.002 0.000 0.286 120 T C 1.314 176.040 174.700 0.044 0.000 0.970 120 T CA 0.870 63.004 62.100 0.057 0.000 1.187 120 T CB 0.164 69.048 68.868 0.027 0.000 0.915 120 T HN 0.888 nan 8.240 nan 0.000 0.529 121 G N 2.792 111.602 108.800 0.015 0.000 2.175 121 G HA2 -0.268 3.693 3.960 0.002 0.000 0.244 121 G HA3 -0.268 3.693 3.960 0.002 0.000 0.244 121 G C -0.001 174.926 174.900 0.044 0.000 0.982 121 G CA -0.135 44.958 45.100 -0.012 0.000 0.641 121 G HN 0.807 nan 8.290 nan 0.000 0.527 122 Y N 1.183 121.474 120.300 -0.015 0.000 2.511 122 Y HA 0.371 4.922 4.550 0.002 0.000 0.332 122 Y C 1.478 177.370 175.900 -0.013 0.000 1.177 122 Y CA 1.052 59.147 58.100 -0.009 0.000 1.422 122 Y CB 0.868 39.317 38.460 -0.019 0.000 1.271 122 Y HN 1.398 nan 8.280 nan 0.000 0.550 123 G N 3.231 111.522 108.800 -0.848 0.000 2.143 123 G HA2 -0.261 3.700 3.960 0.002 0.000 0.248 123 G HA3 -0.261 3.700 3.960 0.002 0.000 0.248 123 G C 0.089 174.864 174.900 -0.208 0.000 0.991 123 G CA 0.620 45.378 45.100 -0.571 0.000 0.689 123 G HN 1.211 nan 8.290 nan 0.000 0.522 124 T N -3.421 111.057 114.554 -0.127 0.000 2.858 124 T HA 0.700 5.051 4.350 0.002 0.000 0.285 124 T C 1.487 176.201 174.700 0.024 0.000 1.052 124 T CA -0.231 61.874 62.100 0.009 0.000 1.009 124 T CB 1.250 70.140 68.868 0.037 0.000 1.241 124 T HN 0.227 nan 8.240 nan 0.000 0.542 125 L N 0.760 122.056 121.223 0.122 0.000 2.191 125 L HA -0.054 4.287 4.340 0.002 0.000 0.212 125 L C 2.761 179.666 176.870 0.058 0.000 1.103 125 L CA 0.680 55.587 54.840 0.112 0.000 0.769 125 L CB -0.700 41.489 42.059 0.216 0.000 0.908 125 L HN 0.552 nan 8.230 nan 0.000 0.438 126 V N -0.311 119.616 119.914 0.021 0.000 2.295 126 V HA -0.310 3.811 4.120 0.002 0.000 0.246 126 V C 2.500 178.592 176.094 -0.004 0.000 1.049 126 V CA 2.025 64.316 62.300 -0.014 0.000 1.024 126 V CB -0.538 31.247 31.823 -0.063 0.000 0.648 126 V HN 0.551 nan 8.190 nan 0.000 0.447 127 Q N 0.182 119.979 119.800 -0.005 0.000 2.049 127 Q HA -0.192 4.149 4.340 0.002 0.000 0.198 127 Q C 2.147 178.145 176.000 -0.004 0.000 0.971 127 Q CA 1.838 57.646 55.803 0.008 0.000 0.833 127 Q CB -0.068 28.669 28.738 -0.002 0.000 0.896 127 Q HN 0.741 nan 8.270 nan 0.000 0.434 128 E N -0.208 119.976 120.200 -0.026 0.000 2.274 128 E HA 0.101 4.452 4.350 0.002 0.000 0.194 128 E C 0.741 177.340 176.600 -0.002 0.000 0.996 128 E CA 0.378 56.764 56.400 -0.023 0.000 0.840 128 E CB 0.072 29.751 29.700 -0.035 0.000 0.772 128 E HN 0.528 nan 8.360 nan 0.000 0.491 129 G N -0.608 108.197 108.800 0.009 0.000 2.757 129 G HA2 -0.037 3.924 3.960 0.002 0.000 0.638 129 G HA3 -0.037 3.924 3.960 0.002 0.000 0.638 129 G C 0.572 175.485 174.900 0.021 0.000 1.344 129 G CA -0.483 44.625 45.100 0.014 0.000 0.855 129 G HN 0.649 nan 8.290 nan 0.000 0.537 130 G N -1.890 106.921 108.800 0.018 0.000 2.157 130 G HA2 0.097 4.058 3.960 0.002 0.000 0.239 130 G HA3 0.097 4.058 3.960 0.002 0.000 0.239 130 G C 0.773 175.692 174.900 0.031 0.000 0.982 130 G CA 1.496 46.606 45.100 0.017 0.000 0.650 130 G HN 2.292 nan 8.290 nan 0.000 0.527 131 S N 1.626 117.358 115.700 0.053 0.000 2.510 131 S HA 0.535 5.006 4.470 0.002 0.000 0.279 131 S C -2.023 172.600 174.600 0.038 0.000 1.284 131 S CA -0.868 57.386 58.200 0.089 0.000 1.059 131 S CB 0.795 64.072 63.200 0.128 0.000 0.901 131 S HN 0.165 nan 8.310 nan 0.000 0.491 132 P HA 0.166 nan 4.420 nan 0.000 0.265 132 P C 0.248 177.539 177.300 -0.014 0.000 1.222 132 P CA 0.115 63.128 63.100 -0.144 0.000 0.767 132 P CB 0.291 31.745 31.700 -0.411 0.000 0.801 133 I N 2.062 122.611 120.570 -0.034 0.000 2.628 133 I HA 0.065 4.236 4.170 0.002 0.000 0.255 133 I C 1.173 177.342 176.117 0.088 0.000 1.119 133 I CA 0.860 62.188 61.300 0.046 0.000 1.448 133 I CB 0.124 38.133 38.000 0.015 0.000 1.133 133 I HN 0.261 nan 8.210 nan 0.000 0.438 134 K N 0.054 120.427 120.400 -0.044 0.000 2.464 134 K HA 0.394 4.715 4.320 0.002 0.000 0.253 134 K C -1.715 174.772 176.600 -0.189 0.000 0.933 134 K CA -0.571 55.699 56.287 -0.029 0.000 0.801 134 K CB 1.993 34.506 32.500 0.023 0.000 1.271 134 K HN -0.246 nan 8.250 nan 0.000 0.430 135 Y N 1.274 121.563 120.300 -0.019 0.000 2.387 135 Y HA 0.304 4.855 4.550 0.002 0.000 0.330 135 Y C 0.708 176.588 175.900 -0.033 0.000 1.133 135 Y CA -0.588 57.472 58.100 -0.067 0.000 1.152 135 Y CB 1.196 39.562 38.460 -0.156 0.000 1.215 135 Y HN 0.546 nan 8.280 nan 0.000 0.466 136 N N 1.669 120.463 118.700 0.157 0.000 2.467 136 N HA 0.100 4.841 4.740 0.002 0.000 0.262 136 N C 0.827 176.372 175.510 0.058 0.000 1.234 136 N CA -0.138 52.961 53.050 0.081 0.000 0.952 136 N CB 0.927 39.447 38.487 0.055 0.000 1.158 136 N HN 0.634 nan 8.380 nan 0.000 0.463 137 K N 0.574 120.992 120.400 0.031 0.000 2.020 137 K HA -0.209 4.112 4.320 0.002 0.000 0.212 137 K C 1.114 177.709 176.600 -0.008 0.000 1.050 137 K CA 1.935 58.227 56.287 0.009 0.000 0.929 137 K CB -0.189 32.315 32.500 0.007 0.000 0.714 137 K HN 0.621 nan 8.250 nan 0.000 0.443 138 D N -0.861 119.538 120.400 -0.002 0.000 2.271 138 D HA -0.156 4.485 4.640 0.002 0.000 0.207 138 D C 1.275 177.559 176.300 -0.026 0.000 0.983 138 D CA 1.712 55.705 54.000 -0.012 0.000 0.878 138 D CB -0.230 40.568 40.800 -0.003 0.000 0.920 138 D HN 0.474 nan 8.370 nan 0.000 0.479 139 G N -0.711 108.073 108.800 -0.027 0.000 2.284 139 G HA2 -0.228 3.733 3.960 0.002 0.000 0.201 139 G HA3 -0.228 3.733 3.960 0.002 0.000 0.201 139 G C 0.461 175.359 174.900 -0.003 0.000 0.998 139 G CA 0.415 45.473 45.100 -0.070 0.000 0.651 139 G HN 0.886 nan 8.290 nan 0.000 0.489 140 S N 0.399 116.123 115.700 0.040 0.000 2.617 140 S HA 0.671 5.142 4.470 0.002 0.000 0.259 140 S C 0.515 175.203 174.600 0.148 0.000 1.301 140 S CA -0.404 57.842 58.200 0.076 0.000 0.984 140 S CB 1.029 64.253 63.200 0.040 0.000 0.954 140 S HN 0.536 nan 8.310 nan 0.000 0.572 141 I N 1.431 122.063 120.570 0.104 0.000 2.353 141 I HA 0.334 4.505 4.170 0.002 0.000 0.293 141 I C 1.061 177.180 176.117 0.004 0.000 0.992 141 I CA -0.535 60.794 61.300 0.048 0.000 1.268 141 I CB 1.363 39.352 38.000 -0.018 0.000 1.387 141 I HN 0.936 nan 8.210 nan 0.000 0.478 142 A N 7.510 130.319 122.820 -0.019 0.000 1.887 142 A HA 0.345 4.666 4.320 0.002 0.000 0.210 142 A C 0.845 178.416 177.584 -0.022 0.000 1.221 142 A CA 0.793 52.826 52.037 -0.007 0.000 0.635 142 A CB 0.224 19.231 19.000 0.011 0.000 0.881 142 A HN 0.616 nan 8.150 nan 0.000 0.456 143 I N -0.369 120.174 120.570 -0.046 0.000 2.498 143 I HA 0.593 4.765 4.170 0.002 0.000 0.290 143 I C -0.180 175.903 176.117 -0.057 0.000 1.032 143 I CA -0.679 60.600 61.300 -0.035 0.000 1.073 143 I CB 2.049 40.040 38.000 -0.016 0.000 1.251 143 I HN 0.245 nan 8.210 nan 0.000 0.426 144 A N 3.825 126.623 122.820 -0.037 0.000 2.354 144 A HA 0.758 5.079 4.320 0.002 0.000 0.321 144 A C -0.063 177.514 177.584 -0.012 0.000 1.125 144 A CA -0.574 51.444 52.037 -0.032 0.000 0.799 144 A CB 1.486 20.472 19.000 -0.024 0.000 1.293 144 A HN 0.752 nan 8.150 nan 0.000 0.452 145 S N 1.106 116.805 115.700 -0.001 0.000 2.564 145 S HA 0.349 4.820 4.470 0.002 0.000 0.278 145 S C -0.145 174.457 174.600 0.003 0.000 1.333 145 S CA -0.304 57.898 58.200 0.005 0.000 1.048 145 S CB 0.297 63.506 63.200 0.014 0.000 0.900 145 S HN 0.589 nan 8.310 nan 0.000 0.505 146 K N 2.322 122.722 120.400 0.000 0.000 2.154 146 K HA 0.400 4.721 4.320 0.002 0.000 0.264 146 K C -2.476 174.125 176.600 0.001 0.000 1.008 146 K CA -1.861 54.426 56.287 0.000 0.000 0.937 146 K CB 0.108 32.607 32.500 -0.002 0.000 1.002 146 K HN 0.464 nan 8.250 nan 0.000 0.469 147 P HA 0.109 nan 4.420 nan 0.000 0.272 147 P C -0.811 176.495 177.300 0.009 0.000 1.230 147 P CA -0.250 62.855 63.100 0.009 0.000 0.788 147 P CB 0.601 32.308 31.700 0.013 0.000 0.949 148 R N 1.382 121.893 120.500 0.018 0.000 2.474 148 R HA 0.303 4.644 4.340 0.002 0.000 0.295 148 R C 0.102 176.439 176.300 0.061 0.000 0.980 148 R CA -0.658 55.454 56.100 0.020 0.000 0.934 148 R CB 0.601 30.909 30.300 0.013 0.000 1.101 148 R HN 0.543 nan 8.270 nan 0.000 0.469 149 E N 1.298 121.535 120.200 0.061 0.000 2.376 149 E HA 0.096 4.447 4.350 0.002 0.000 0.266 149 E C -0.288 176.432 176.600 0.201 0.000 1.009 149 E CA -0.051 56.416 56.400 0.112 0.000 0.902 149 E CB 0.927 30.690 29.700 0.104 0.000 0.972 149 E HN 0.128 nan 8.360 nan 0.000 0.439 150 V N 3.883 123.925 119.914 0.213 0.000 2.539 150 V HA 0.455 4.576 4.120 0.002 0.000 0.292 150 V C 0.128 176.361 176.094 0.231 0.000 1.045 150 V CA -0.444 62.021 62.300 0.276 0.000 0.945 150 V CB 1.436 33.435 31.823 0.294 0.000 0.993 150 V HN 0.634 nan 8.190 nan 0.000 0.464 151 R N 2.515 123.142 120.500 0.211 0.000 2.626 151 R HA 0.409 4.750 4.340 0.002 0.000 0.274 151 R C -1.008 175.204 176.300 -0.147 0.000 1.031 151 R CA -0.602 55.472 56.100 -0.044 0.000 0.898 151 R CB 1.947 32.106 30.300 -0.235 0.000 1.222 151 R HN 0.830 nan 8.270 nan 0.000 0.455 152 E N 3.935 123.924 120.200 -0.352 0.000 2.200 152 E HA 0.263 4.614 4.350 0.002 0.000 0.283 152 E C -1.490 174.792 176.600 -0.531 0.000 1.015 152 E CA -0.381 55.781 56.400 -0.397 0.000 0.819 152 E CB 0.702 30.122 29.700 -0.466 0.000 1.081 152 E HN 0.356 nan 8.360 nan 0.000 0.397 153 F N 3.345 123.277 119.950 -0.029 0.000 2.518 153 F HA 0.278 4.806 4.527 0.002 0.000 0.323 153 F C 0.228 176.034 175.800 0.010 0.000 1.129 153 F CA -0.971 56.972 58.000 -0.094 0.000 0.920 153 F CB 1.513 40.315 39.000 -0.331 0.000 1.160 153 F HN 0.495 nan 8.300 nan 0.000 0.440 154 N N 2.435 121.205 118.700 0.116 0.000 2.725 154 N HA -0.206 4.535 4.740 0.002 0.000 0.251 154 N C 0.970 176.504 175.510 0.040 0.000 1.031 154 N CA 1.169 54.261 53.050 0.071 0.000 0.720 154 N CB -0.983 37.557 38.487 0.088 0.000 0.930 154 N HN 1.195 nan 8.380 nan 0.000 0.543 155 G N -0.713 108.071 108.800 -0.026 0.000 2.153 155 G HA2 -0.338 3.623 3.960 0.002 0.000 0.252 155 G HA3 -0.338 3.623 3.960 0.002 0.000 0.252 155 G C -0.229 174.605 174.900 -0.110 0.000 0.994 155 G CA 0.874 45.931 45.100 -0.071 0.000 0.698 155 G HN 0.729 nan 8.290 nan 0.000 0.521 156 Q N -0.546 119.183 119.800 -0.117 0.000 2.379 156 Q HA 0.474 4.815 4.340 0.002 0.000 0.278 156 Q C -0.981 174.778 176.000 -0.401 0.000 1.068 156 Q CA -0.918 54.750 55.803 -0.225 0.000 0.816 156 Q CB 1.357 30.005 28.738 -0.149 0.000 1.387 156 Q HN 0.431 nan 8.270 nan 0.000 0.413 157 H N 2.611 121.355 119.070 -0.543 0.000 2.527 157 H HA 0.384 4.941 4.556 0.002 0.000 0.321 157 H C -0.976 173.832 175.328 -0.867 0.000 1.087 157 H CA 0.284 55.922 56.048 -0.683 0.000 1.337 157 H CB 0.485 29.518 29.762 -1.215 0.000 1.440 157 H HN 0.401 nan 8.280 nan 0.000 0.490 158 F N 1.959 121.866 119.950 -0.072 0.000 2.603 158 F HA 0.404 4.931 4.527 0.002 0.000 0.317 158 F C 0.443 176.401 175.800 0.262 0.000 1.066 158 F CA -1.087 56.985 58.000 0.120 0.000 0.941 158 F CB 1.649 40.791 39.000 0.237 0.000 1.291 158 F HN 0.349 nan 8.300 nan 0.000 0.472 159 I N 0.576 121.432 120.570 0.476 0.000 2.693 159 I HA 0.664 4.835 4.170 0.002 0.000 0.303 159 I C -1.442 174.787 176.117 0.186 0.000 1.025 159 I CA -1.208 60.300 61.300 0.346 0.000 1.086 159 I CB 1.961 40.090 38.000 0.215 0.000 1.268 159 I HN 0.420 nan 8.210 nan 0.000 0.440 160 L N 4.569 125.768 121.223 -0.039 0.000 2.281 160 L HA 0.453 4.794 4.340 0.002 0.000 0.285 160 L C -0.327 176.295 176.870 -0.413 0.000 1.074 160 L CA 0.594 55.131 54.840 -0.506 0.000 0.817 160 L CB 0.288 42.054 42.059 -0.488 0.000 1.168 160 L HN 0.598 nan 8.230 nan 0.000 0.434 161 E N 4.473 124.272 120.200 -0.668 0.000 2.212 161 E HA 0.380 4.731 4.350 0.002 0.000 0.268 161 E C -0.949 175.302 176.600 -0.583 0.000 0.902 161 E CA -0.553 55.477 56.400 -0.616 0.000 0.779 161 E CB 1.855 31.104 29.700 -0.752 0.000 1.172 161 E HN 0.588 nan 8.360 nan 0.000 0.409 162 E N 0.649 120.686 120.200 -0.273 0.000 2.248 162 E HA 0.515 4.866 4.350 0.002 0.000 0.272 162 E C -0.442 176.155 176.600 -0.005 0.000 1.008 162 E CA -0.825 55.500 56.400 -0.125 0.000 0.856 162 E CB 1.717 31.370 29.700 -0.079 0.000 1.120 162 E HN 0.527 nan 8.360 nan 0.000 0.397 163 A N 2.752 125.608 122.820 0.060 0.000 2.520 163 A HA 0.150 4.471 4.320 0.002 0.000 0.235 163 A C -0.067 177.557 177.584 0.067 0.000 1.065 163 A CA 0.301 52.401 52.037 0.104 0.000 0.764 163 A CB 0.007 19.059 19.000 0.087 0.000 1.002 163 A HN 0.540 nan 8.150 nan 0.000 0.502 164 I N 1.669 122.285 120.570 0.077 0.000 2.362 164 I HA 0.441 4.612 4.170 0.002 0.000 0.289 164 I C 0.409 176.557 176.117 0.052 0.000 0.994 164 I CA -0.149 61.186 61.300 0.058 0.000 1.158 164 I CB 1.446 39.484 38.000 0.064 0.000 1.315 164 I HN 0.754 nan 8.210 nan 0.000 0.451 165 R N 3.775 124.300 120.500 0.042 0.000 2.628 165 R HA 0.684 5.025 4.340 0.002 0.000 0.288 165 R C -0.520 175.802 176.300 0.037 0.000 0.980 165 R CA -0.567 55.556 56.100 0.038 0.000 0.891 165 R CB 2.171 32.492 30.300 0.034 0.000 1.188 165 R HN 0.766 nan 8.270 nan 0.000 0.450 166 G N 0.761 109.584 108.800 0.038 0.000 2.434 166 G HA2 0.141 4.102 3.960 0.002 0.000 0.330 166 G HA3 0.141 4.102 3.960 0.002 0.000 0.330 166 G C -0.114 174.806 174.900 0.033 0.000 1.155 166 G CA -0.490 44.639 45.100 0.049 0.000 0.917 166 G HN 0.682 nan 8.290 nan 0.000 0.493 167 D N -0.426 120.015 120.400 0.069 0.000 2.149 167 D HA 0.028 4.669 4.640 0.002 0.000 0.201 167 D C -0.047 176.168 176.300 -0.142 0.000 0.972 167 D CA 1.294 55.312 54.000 0.030 0.000 0.835 167 D CB 0.169 41.089 40.800 0.198 0.000 0.966 167 D HN 0.200 nan 8.370 nan 0.000 0.476 168 F N -0.532 119.432 119.950 0.024 0.000 2.613 168 F HA 0.571 5.099 4.527 0.002 0.000 0.314 168 F C -0.433 175.375 175.800 0.014 0.000 1.075 168 F CA -1.249 56.764 58.000 0.022 0.000 0.945 168 F CB 1.989 40.992 39.000 0.005 0.000 1.310 168 F HN -0.297 nan 8.300 nan 0.000 0.467 169 A N 2.771 125.700 122.820 0.182 0.000 2.343 169 A HA 0.826 5.147 4.320 0.002 0.000 0.308 169 A C -1.613 176.036 177.584 0.109 0.000 1.092 169 A CA -0.588 51.515 52.037 0.111 0.000 0.751 169 A CB 0.905 19.938 19.000 0.055 0.000 1.203 169 A HN 0.723 nan 8.150 nan 0.000 0.452 170 L N 3.167 124.439 121.223 0.082 0.000 2.280 170 L HA 0.602 4.943 4.340 0.002 0.000 0.287 170 L C -0.888 176.024 176.870 0.071 0.000 1.023 170 L CA -0.762 54.115 54.840 0.061 0.000 0.819 170 L CB 1.363 43.437 42.059 0.025 0.000 1.212 170 L HN 0.417 nan 8.230 nan 0.000 0.420 171 V N 2.789 122.755 119.914 0.087 0.000 2.656 171 V HA 0.437 4.558 4.120 0.002 0.000 0.307 171 V C -0.292 175.894 176.094 0.152 0.000 1.051 171 V CA -0.833 61.545 62.300 0.130 0.000 0.893 171 V CB 2.379 34.287 31.823 0.142 0.000 0.999 171 V HN 0.592 nan 8.190 nan 0.000 0.426 172 K N 3.388 123.908 120.400 0.200 0.000 2.182 172 K HA 0.889 5.210 4.320 0.002 0.000 0.262 172 K C -0.623 176.138 176.600 0.269 0.000 0.957 172 K CA 0.017 56.428 56.287 0.208 0.000 0.842 172 K CB 1.669 34.288 32.500 0.198 0.000 1.099 172 K HN 0.965 nan 8.250 nan 0.000 0.438 173 A N 3.161 126.063 122.820 0.136 0.000 2.566 173 A HA 0.463 4.784 4.320 0.002 0.000 0.292 173 A C -0.663 176.946 177.584 0.043 0.000 1.112 173 A CA -0.800 51.218 52.037 -0.031 0.000 0.707 173 A CB 0.232 18.976 19.000 -0.427 0.000 1.302 173 A HN 0.908 nan 8.150 nan 0.000 0.409 174 W N 1.083 122.268 121.300 -0.191 0.000 2.474 174 W HA 0.255 4.916 4.660 0.001 0.000 0.319 174 W C 0.138 176.607 176.519 -0.084 0.000 1.165 174 W CA 1.321 58.593 57.345 -0.121 0.000 1.356 174 W CB 0.007 29.425 29.460 -0.069 0.000 1.172 174 W HN 0.544 nan 8.180 nan 0.000 0.478 175 K N -0.305 119.998 120.400 -0.162 0.000 2.385 175 K HA 0.632 4.953 4.320 0.002 0.000 0.248 175 K C -1.226 175.384 176.600 0.016 0.000 0.955 175 K CA -0.740 55.431 56.287 -0.194 0.000 0.816 175 K CB 2.212 34.491 32.500 -0.369 0.000 1.250 175 K HN -0.116 nan 8.250 nan 0.000 0.434 176 A N 1.738 124.612 122.820 0.090 0.000 2.414 176 A HA 0.459 4.780 4.320 0.002 0.000 0.306 176 A C -1.162 176.518 177.584 0.160 0.000 1.054 176 A CA -0.819 51.325 52.037 0.179 0.000 0.724 176 A CB 1.027 20.094 19.000 0.111 0.000 1.267 176 A HN 0.812 nan 8.150 nan 0.000 0.418 177 D N 0.728 121.257 120.400 0.216 0.000 2.423 177 D HA 0.235 4.876 4.640 0.002 0.000 0.255 177 D C 0.582 176.969 176.300 0.146 0.000 1.174 177 D CA -0.330 53.672 54.000 0.003 0.000 1.008 177 D CB 0.419 41.147 40.800 -0.121 0.000 1.101 177 D HN 0.471 nan 8.370 nan 0.000 0.516 178 Q N -0.749 119.072 119.800 0.035 0.000 2.436 178 Q HA 0.056 4.397 4.340 0.002 0.000 0.209 178 Q C 1.578 177.674 176.000 0.160 0.000 0.965 178 Q CA 0.987 56.784 55.803 -0.009 0.000 0.910 178 Q CB -0.032 28.603 28.738 -0.172 0.000 0.980 178 Q HN 0.612 nan 8.270 nan 0.000 0.491 179 A N -0.280 122.649 122.820 0.181 0.000 2.123 179 A HA 0.283 4.604 4.320 0.002 0.000 0.214 179 A C 1.616 179.344 177.584 0.241 0.000 1.152 179 A CA 0.985 53.135 52.037 0.189 0.000 0.728 179 A CB 0.007 19.072 19.000 0.109 0.000 0.814 179 A HN 0.425 nan 8.150 nan 0.000 0.464 180 G N -1.127 107.835 108.800 0.271 0.000 2.184 180 G HA2 -0.189 3.772 3.960 0.002 0.000 0.206 180 G HA3 -0.189 3.772 3.960 0.002 0.000 0.206 180 G C -0.106 174.847 174.900 0.089 0.000 0.995 180 G CA -0.054 45.115 45.100 0.115 0.000 0.651 180 G HN 0.413 nan 8.290 nan 0.000 0.511 181 N N 0.183 118.967 118.700 0.141 0.000 2.479 181 N HA 0.473 5.214 4.740 0.002 0.000 0.257 181 N C -0.069 175.485 175.510 0.073 0.000 1.232 181 N CA 0.455 53.571 53.050 0.110 0.000 0.920 181 N CB 1.901 40.489 38.487 0.167 0.000 1.105 181 N HN 0.202 nan 8.380 nan 0.000 0.444 182 V N 0.183 120.022 119.914 -0.126 0.000 2.876 182 V HA 0.569 4.690 4.120 0.002 0.000 0.312 182 V C 0.103 175.856 176.094 -0.568 0.000 1.085 182 V CA -0.706 61.422 62.300 -0.286 0.000 0.945 182 V CB 2.210 33.881 31.823 -0.253 0.000 1.017 182 V HN 0.921 nan 8.190 nan 0.000 0.428 183 T N -0.000 114.149 114.554 -0.674 0.000 2.901 183 T HA 0.849 5.200 4.350 0.002 0.000 0.293 183 T C -1.172 173.287 174.700 -0.400 0.000 1.084 183 T CA -0.577 61.174 62.100 -0.581 0.000 1.008 183 T CB 1.944 70.366 68.868 -0.743 0.000 1.170 183 T HN 0.199 nan 8.240 nan 0.000 0.509 184 F N -0.279 119.937 119.950 0.443 0.000 2.593 184 F HA 0.723 5.251 4.527 0.001 0.000 0.320 184 F C 0.390 176.329 175.800 0.233 0.000 1.060 184 F CA -1.248 56.924 58.000 0.285 0.000 0.940 184 F CB 2.191 41.259 39.000 0.114 0.000 1.268 184 F HN 0.587 nan 8.300 nan 0.000 0.475 185 R N 2.472 123.066 120.500 0.156 0.000 2.310 185 R HA 0.450 4.791 4.340 0.002 0.000 0.324 185 R C -0.196 175.845 176.300 -0.432 0.000 0.955 185 R CA -0.256 55.664 56.100 -0.299 0.000 0.830 185 R CB 0.597 30.365 30.300 -0.887 0.000 1.154 185 R HN 0.801 nan 8.270 nan 0.000 0.458 186 K N 0.712 120.684 120.400 -0.712 0.000 1.844 186 K HA -0.285 4.036 4.320 0.002 0.000 0.160 186 K C 0.615 176.596 176.600 -1.033 0.000 1.448 186 K CA 1.735 57.142 56.287 -1.466 0.000 0.446 186 K CB -1.494 30.461 32.500 -0.909 0.000 0.635 186 K HN 0.737 nan 8.250 nan 0.000 0.848 187 S N 0.507 115.841 115.700 -0.611 0.000 2.650 187 S HA 0.229 4.700 4.470 0.002 0.000 0.219 187 S C 1.476 175.964 174.600 -0.187 0.000 0.960 187 S CA 0.592 58.618 58.200 -0.290 0.000 0.925 187 S CB 0.405 63.518 63.200 -0.146 0.000 0.775 187 S HN 0.604 nan 8.310 nan 0.000 0.525 188 A N 1.572 124.291 122.820 -0.169 0.000 2.239 188 A HA 0.161 4.482 4.320 0.002 0.000 0.209 188 A C 2.155 179.732 177.584 -0.011 0.000 1.171 188 A CA 0.529 52.544 52.037 -0.038 0.000 0.768 188 A CB -0.532 18.457 19.000 -0.019 0.000 0.790 188 A HN 0.582 nan 8.150 nan 0.000 0.478 189 R N 0.640 121.053 120.500 -0.145 0.000 2.055 189 R HA -0.175 4.166 4.340 0.002 0.000 0.228 189 R C 1.703 177.793 176.300 -0.351 0.000 1.143 189 R CA 1.676 57.536 56.100 -0.400 0.000 0.945 189 R CB -0.450 29.566 30.300 -0.473 0.000 0.841 189 R HN 0.709 nan 8.270 nan 0.000 0.429 190 N N -0.669 117.879 118.700 -0.253 0.000 1.109 190 N HA -0.355 4.386 4.740 0.002 0.000 0.142 190 N C 0.890 176.281 175.510 -0.199 0.000 0.434 190 N CA 2.604 55.551 53.050 -0.171 0.000 0.976 190 N CB -1.474 37.057 38.487 0.073 0.000 1.494 190 N HN 0.228 nan 8.380 nan 0.000 0.474 191 F N 0.259 120.182 119.950 -0.045 0.000 2.789 191 F HA 0.277 4.805 4.527 0.002 0.000 0.300 191 F C 2.067 177.823 175.800 -0.073 0.000 1.132 191 F CA -0.009 57.976 58.000 -0.025 0.000 1.404 191 F CB -0.219 38.812 39.000 0.051 0.000 1.114 191 F HN 0.265 nan 8.300 nan 0.000 0.584 192 N N 0.534 119.246 118.700 0.019 0.000 2.166 192 N HA -0.180 4.561 4.740 0.002 0.000 0.186 192 N C 2.072 177.523 175.510 -0.099 0.000 1.019 192 N CA 1.096 54.147 53.050 0.002 0.000 0.856 192 N CB -0.348 38.182 38.487 0.072 0.000 0.993 192 N HN 0.345 nan 8.380 nan 0.000 0.426 193 L N 2.080 123.076 121.223 -0.377 0.000 1.973 193 L HA -0.053 4.288 4.340 0.002 0.000 0.208 193 L C -0.762 176.003 176.870 -0.175 0.000 1.073 193 L CA 1.555 56.211 54.840 -0.307 0.000 0.746 193 L CB -1.231 40.560 42.059 -0.447 0.000 0.891 193 L HN 0.073 nan 8.230 nan 0.000 0.433 194 P HA -0.219 nan 4.420 nan 0.000 0.215 194 P C 1.838 179.091 177.300 -0.078 0.000 1.153 194 P CA 1.895 64.914 63.100 -0.134 0.000 0.853 194 P CB -0.179 31.454 31.700 -0.112 0.000 0.788 195 M N -1.115 118.484 119.600 -0.001 0.000 2.267 195 M HA -0.156 4.326 4.480 0.002 0.000 0.263 195 M C 2.368 178.664 176.300 -0.007 0.000 1.063 195 M CA 1.269 56.589 55.300 0.034 0.000 1.090 195 M CB -1.008 31.647 32.600 0.091 0.000 1.392 195 M HN 0.026 nan 8.290 nan 0.000 0.422 196 C N 0.775 120.054 119.300 -0.034 0.000 2.437 196 C HA -0.100 4.361 4.460 0.002 0.000 0.283 196 C C 2.234 177.141 174.990 -0.137 0.000 1.424 196 C CA 1.058 60.045 59.018 -0.053 0.000 1.782 196 C CB -0.873 26.867 27.740 -0.000 0.000 1.833 196 C HN 0.450 nan 8.230 nan 0.000 0.532 197 K N -0.334 119.939 120.400 -0.213 0.000 2.360 197 K HA 0.237 4.558 4.320 0.002 0.000 0.196 197 K C 1.180 177.757 176.600 -0.038 0.000 1.049 197 K CA 0.631 56.775 56.287 -0.238 0.000 1.049 197 K CB 0.249 32.449 32.500 -0.501 0.000 0.881 197 K HN 0.278 nan 8.250 nan 0.000 0.542 198 A N 1.203 124.007 122.820 -0.027 0.000 2.545 198 A HA 0.566 4.887 4.320 0.002 0.000 0.277 198 A C 0.060 177.659 177.584 0.025 0.000 1.301 198 A CA -0.272 51.772 52.037 0.011 0.000 0.935 198 A CB 0.224 19.233 19.000 0.015 0.000 1.093 198 A HN 0.173 nan 8.150 nan 0.000 0.519 199 A N -0.875 121.959 122.820 0.023 0.000 2.498 199 A HA 0.645 4.966 4.320 0.002 0.000 0.298 199 A C 0.558 178.156 177.584 0.024 0.000 1.075 199 A CA -0.069 51.975 52.037 0.013 0.000 0.714 199 A CB 0.954 19.958 19.000 0.006 0.000 1.299 199 A HN 0.110 nan 8.150 nan 0.000 0.407 200 E N 0.717 120.895 120.200 -0.036 0.000 2.051 200 E HA -0.056 4.295 4.350 0.002 0.000 0.192 200 E C 0.320 176.902 176.600 -0.031 0.000 0.991 200 E CA 2.299 58.667 56.400 -0.055 0.000 0.799 200 E CB 0.051 29.666 29.700 -0.142 0.000 0.748 200 E HN 0.605 nan 8.360 nan 0.000 0.449 201 T N 0.656 115.080 114.554 -0.216 0.000 2.809 201 T HA 0.415 4.766 4.350 0.002 0.000 0.284 201 T C -0.812 173.873 174.700 -0.024 0.000 0.992 201 T CA -0.368 61.686 62.100 -0.076 0.000 0.957 201 T CB 1.447 70.001 68.868 -0.523 0.000 0.942 201 T HN 0.191 nan 8.240 nan 0.000 0.439 202 T N 0.266 114.827 114.554 0.011 0.000 2.771 202 T HA 0.684 5.035 4.350 0.002 0.000 0.281 202 T C -0.348 174.354 174.700 0.002 0.000 0.982 202 T CA -0.717 61.337 62.100 -0.077 0.000 0.978 202 T CB 0.832 69.546 68.868 -0.257 0.000 0.930 202 T HN 0.292 nan 8.240 nan 0.000 0.447 203 V N 4.061 124.006 119.914 0.051 0.000 2.409 203 V HA 0.532 4.653 4.120 0.002 0.000 0.291 203 V C -0.219 175.890 176.094 0.025 0.000 1.020 203 V CA -0.825 61.494 62.300 0.031 0.000 0.848 203 V CB 1.501 33.344 31.823 0.033 0.000 0.990 203 V HN 0.896 nan 8.190 nan 0.000 0.430 204 V N 5.063 124.984 119.914 0.011 0.000 2.459 204 V HA 0.502 4.623 4.120 0.002 0.000 0.295 204 V C -0.029 176.091 176.094 0.043 0.000 1.029 204 V CA -0.654 61.665 62.300 0.032 0.000 0.874 204 V CB 1.898 33.728 31.823 0.011 0.000 0.985 204 V HN 1.055 nan 8.190 nan 0.000 0.438 205 E N 4.383 124.634 120.200 0.085 0.000 2.191 205 E HA 0.769 5.120 4.350 0.002 0.000 0.274 205 E C -0.945 175.752 176.600 0.163 0.000 0.948 205 E CA -0.766 55.715 56.400 0.135 0.000 0.802 205 E CB 2.309 32.108 29.700 0.166 0.000 1.137 205 E HN 0.509 nan 8.360 nan 0.000 0.397 206 V N -0.137 119.885 119.914 0.181 0.000 2.962 206 V HA 0.350 4.471 4.120 0.002 0.000 0.313 206 V C 0.463 176.662 176.094 0.175 0.000 1.099 206 V CA -0.795 61.581 62.300 0.127 0.000 0.971 206 V CB 1.741 33.602 31.823 0.064 0.000 1.028 206 V HN 0.883 nan 8.190 nan 0.000 0.430 207 E N 0.877 121.092 120.200 0.024 0.000 2.158 207 E HA 0.098 4.449 4.350 0.002 0.000 0.191 207 E C 0.419 177.079 176.600 0.100 0.000 0.982 207 E CA 1.028 57.427 56.400 -0.001 0.000 0.823 207 E CB 0.503 30.137 29.700 -0.110 0.000 0.766 207 E HN 0.831 nan 8.360 nan 0.000 0.468 208 E N 0.270 120.491 120.200 0.034 0.000 2.343 208 E HA 0.357 4.708 4.350 0.002 0.000 0.278 208 E C -1.510 175.078 176.600 -0.021 0.000 0.910 208 E CA -0.428 55.969 56.400 -0.005 0.000 0.757 208 E CB 1.666 31.318 29.700 -0.081 0.000 1.218 208 E HN -0.071 nan 8.360 nan 0.000 0.435 209 I N 4.747 125.314 120.570 -0.005 0.000 2.355 209 I HA 0.294 4.465 4.170 0.002 0.000 0.288 209 I C 0.178 176.245 176.117 -0.082 0.000 0.999 209 I CA -0.867 60.432 61.300 -0.002 0.000 1.163 209 I CB 1.352 39.390 38.000 0.063 0.000 1.316 209 I HN 0.337 nan 8.210 nan 0.000 0.454 210 V N 2.373 122.192 119.914 -0.158 0.000 3.193 210 V HA 0.549 4.670 4.120 0.002 0.000 0.320 210 V C 0.018 175.972 176.094 -0.233 0.000 1.112 210 V CA -0.835 61.322 62.300 -0.239 0.000 1.026 210 V CB 1.579 33.163 31.823 -0.399 0.000 1.128 210 V HN 0.463 nan 8.190 nan 0.000 0.452 211 D N 0.637 120.898 120.400 -0.232 0.000 2.382 211 D HA 0.329 4.970 4.640 0.002 0.000 0.240 211 D C 0.221 176.385 176.300 -0.227 0.000 1.146 211 D CA 0.287 54.171 54.000 -0.193 0.000 0.897 211 D CB 1.082 41.788 40.800 -0.157 0.000 1.197 211 D HN 0.549 nan 8.370 nan 0.000 0.432 212 I N 0.695 121.175 120.570 -0.150 0.000 2.618 212 I HA 0.111 4.282 4.170 0.002 0.000 0.284 212 I C 1.647 177.693 176.117 -0.118 0.000 1.146 212 I CA 0.740 61.971 61.300 -0.116 0.000 1.425 212 I CB 0.515 38.481 38.000 -0.057 0.000 1.383 212 I HN 0.700 nan 8.210 nan 0.000 0.562 213 G N 3.407 112.140 108.800 -0.112 0.000 2.213 213 G HA2 -0.290 3.671 3.960 0.002 0.000 0.226 213 G HA3 -0.290 3.671 3.960 0.002 0.000 0.226 213 G C 1.011 175.833 174.900 -0.130 0.000 0.992 213 G CA 0.361 45.409 45.100 -0.087 0.000 0.632 213 G HN 0.558 nan 8.290 nan 0.000 0.511 214 S N 0.085 115.625 115.700 -0.267 0.000 2.382 214 S HA 0.213 4.684 4.470 0.002 0.000 0.228 214 S C 0.828 175.273 174.600 -0.258 0.000 1.027 214 S CA 0.833 58.830 58.200 -0.339 0.000 0.991 214 S CB -0.146 62.719 63.200 -0.560 0.000 0.823 214 S HN 0.382 nan 8.310 nan 0.000 0.469 215 F N 1.727 121.627 119.950 -0.082 0.000 2.384 215 F HA 0.564 5.092 4.527 0.001 0.000 0.338 215 F C 0.721 176.491 175.800 -0.050 0.000 1.103 215 F CA -2.055 55.895 58.000 -0.083 0.000 1.157 215 F CB 0.057 38.995 39.000 -0.102 0.000 1.167 215 F HN -0.028 nan 8.300 nan 0.000 0.529 216 A N 5.577 128.496 122.820 0.166 0.000 2.488 216 A HA 0.290 4.611 4.320 0.002 0.000 0.249 216 A C -1.365 176.272 177.584 0.088 0.000 1.083 216 A CA -1.058 51.036 52.037 0.094 0.000 0.768 216 A CB -0.230 18.813 19.000 0.071 0.000 1.017 216 A HN 0.590 nan 8.150 nan 0.000 0.496 217 P HA -0.161 nan 4.420 nan 0.000 0.219 217 P C 0.622 177.946 177.300 0.040 0.000 1.146 217 P CA 1.289 64.423 63.100 0.058 0.000 0.808 217 P CB 0.264 31.991 31.700 0.045 0.000 0.779 218 E N -0.071 120.153 120.200 0.040 0.000 2.204 218 E HA -0.105 4.246 4.350 0.002 0.000 0.194 218 E C 0.972 177.599 176.600 0.045 0.000 0.989 218 E CA 0.931 57.355 56.400 0.040 0.000 0.824 218 E CB -0.486 29.238 29.700 0.041 0.000 0.756 218 E HN 0.310 nan 8.360 nan 0.000 0.477 219 D N -0.202 120.213 120.400 0.024 0.000 2.388 219 D HA 0.115 4.756 4.640 0.002 0.000 0.221 219 D C -0.160 176.014 176.300 -0.211 0.000 1.133 219 D CA -0.016 53.981 54.000 -0.004 0.000 0.831 219 D CB 0.267 41.079 40.800 0.019 0.000 0.962 219 D HN 0.181 nan 8.370 nan 0.000 0.502 220 I N 0.998 121.467 120.570 -0.168 0.000 2.379 220 I HA 0.040 4.211 4.170 0.002 0.000 0.290 220 I C 1.429 177.491 176.117 -0.091 0.000 1.063 220 I CA -0.129 60.995 61.300 -0.293 0.000 1.351 220 I CB 0.729 38.650 38.000 -0.132 0.000 1.410 220 I HN -0.023 nan 8.210 nan 0.000 0.505 221 H N 5.958 124.993 119.070 -0.059 0.000 2.372 221 H HA 0.207 4.764 4.556 0.001 0.000 0.301 221 H C 0.082 175.501 175.328 0.153 0.000 1.065 221 H CA 0.399 56.507 56.048 0.100 0.000 1.364 221 H CB 0.563 30.497 29.762 0.287 0.000 1.406 221 H HN 0.330 nan 8.280 nan 0.000 0.521 222 I N 2.090 122.804 120.570 0.240 0.000 2.411 222 I HA 0.232 4.404 4.170 0.002 0.000 0.284 222 I C -2.535 173.684 176.117 0.170 0.000 1.012 222 I CA -2.711 58.732 61.300 0.238 0.000 1.119 222 I CB 1.653 39.811 38.000 0.263 0.000 1.261 222 I HN -0.152 nan 8.210 nan 0.000 0.448 223 P HA 0.101 nan 4.420 nan 0.000 0.269 223 P C 0.798 178.157 177.300 0.098 0.000 1.215 223 P CA -0.309 62.863 63.100 0.119 0.000 0.780 223 P CB 0.576 32.323 31.700 0.079 0.000 0.898 224 K N 2.801 123.232 120.400 0.051 0.000 2.218 224 K HA -0.180 4.141 4.320 0.002 0.000 0.205 224 K C 1.718 178.327 176.600 0.015 0.000 1.046 224 K CA 1.515 57.828 56.287 0.044 0.000 0.933 224 K CB -0.948 31.584 32.500 0.053 0.000 0.728 224 K HN 0.333 nan 8.250 nan 0.000 0.454 225 I N 0.675 121.199 120.570 -0.076 0.000 2.315 225 I HA -0.309 3.862 4.170 0.002 0.000 0.251 225 I C 1.427 177.468 176.117 -0.126 0.000 1.125 225 I CA 1.438 62.643 61.300 -0.159 0.000 1.392 225 I CB 0.017 37.816 38.000 -0.334 0.000 1.065 225 I HN 0.124 nan 8.210 nan 0.000 0.424 226 Y N -0.112 120.204 120.300 0.027 0.000 2.475 226 Y HA 0.138 4.689 4.550 0.002 0.000 0.289 226 Y C 0.916 176.687 175.900 -0.215 0.000 1.121 226 Y CA 0.010 58.075 58.100 -0.059 0.000 1.257 226 Y CB -0.311 38.129 38.460 -0.034 0.000 1.026 226 Y HN -0.167 nan 8.280 nan 0.000 0.555 227 V N 1.244 121.182 119.914 0.040 0.000 2.353 227 V HA 0.069 4.190 4.120 0.002 0.000 0.264 227 V C 0.332 176.450 176.094 0.040 0.000 1.049 227 V CA -0.183 62.100 62.300 -0.030 0.000 0.896 227 V CB 0.291 32.109 31.823 -0.007 0.000 1.025 227 V HN 0.455 nan 8.190 nan 0.000 0.475 228 H N 3.426 122.509 119.070 0.021 0.000 2.418 228 H HA 0.289 4.846 4.556 0.002 0.000 0.300 228 H C 0.643 175.989 175.328 0.029 0.000 1.041 228 H CA 0.174 56.232 56.048 0.017 0.000 1.364 228 H CB 0.519 30.291 29.762 0.017 0.000 1.439 228 H HN 0.414 nan 8.280 nan 0.000 0.540 229 R N 1.018 121.598 120.500 0.134 0.000 2.575 229 R HA 0.412 4.753 4.340 0.002 0.000 0.293 229 R C -1.880 174.421 176.300 0.003 0.000 0.983 229 R CA -0.873 55.302 56.100 0.126 0.000 0.887 229 R CB 2.732 33.071 30.300 0.065 0.000 1.184 229 R HN -0.030 nan 8.270 nan 0.000 0.445 230 L N 2.901 124.103 121.223 -0.035 0.000 2.362 230 L HA 0.623 4.964 4.340 0.002 0.000 0.275 230 L C -1.371 175.533 176.870 0.057 0.000 0.998 230 L CA -0.805 53.965 54.840 -0.117 0.000 0.820 230 L CB 2.139 43.922 42.059 -0.459 0.000 1.270 230 L HN 0.441 nan 8.230 nan 0.000 0.415 231 V N 4.992 124.956 119.914 0.085 0.000 2.789 231 V HA 0.511 4.632 4.120 0.002 0.000 0.311 231 V C -0.780 175.406 176.094 0.153 0.000 1.073 231 V CA -0.821 61.568 62.300 0.148 0.000 0.921 231 V CB 2.081 33.961 31.823 0.095 0.000 1.009 231 V HN 0.868 nan 8.190 nan 0.000 0.426 232 K N 4.638 125.143 120.400 0.175 0.000 2.276 232 K HA 0.559 4.880 4.320 0.002 0.000 0.285 232 K C 0.324 177.023 176.600 0.164 0.000 1.062 232 K CA 0.048 56.443 56.287 0.180 0.000 0.918 232 K CB 0.817 33.414 32.500 0.162 0.000 1.055 232 K HN 0.969 nan 8.250 nan 0.000 0.477 233 G N 2.900 111.844 108.800 0.239 0.000 2.365 233 G HA2 -0.057 3.904 3.960 0.002 0.000 0.249 233 G HA3 -0.057 3.904 3.960 0.002 0.000 0.249 233 G C 0.417 175.289 174.900 -0.046 0.000 1.288 233 G CA -0.294 44.835 45.100 0.048 0.000 0.887 233 G HN 0.947 nan 8.290 nan 0.000 0.524 234 E N 1.443 121.565 120.200 -0.129 0.000 2.046 234 E HA -0.030 4.321 4.350 0.002 0.000 0.190 234 E C 0.875 177.404 176.600 -0.118 0.000 0.982 234 E CA 0.754 57.110 56.400 -0.073 0.000 0.800 234 E CB 0.104 29.772 29.700 -0.052 0.000 0.756 234 E HN 0.443 nan 8.360 nan 0.000 0.449 235 K N -0.306 119.930 120.400 -0.273 0.000 2.397 235 K HA 0.227 4.548 4.320 0.002 0.000 0.253 235 K C -1.992 174.357 176.600 -0.419 0.000 0.932 235 K CA -0.563 55.602 56.287 -0.203 0.000 0.795 235 K CB 1.094 33.539 32.500 -0.092 0.000 1.159 235 K HN -0.086 nan 8.250 nan 0.000 0.424 236 Y N 2.359 122.713 120.300 0.090 0.000 2.363 236 Y HA 0.197 4.748 4.550 0.002 0.000 0.325 236 Y C 0.317 176.272 175.900 0.092 0.000 0.984 236 Y CA -0.663 57.500 58.100 0.105 0.000 1.248 236 Y CB 1.987 40.507 38.460 0.100 0.000 1.116 236 Y HN 0.696 nan 8.280 nan 0.000 0.470 237 E N 2.177 122.520 120.200 0.238 0.000 2.481 237 E HA -0.027 4.324 4.350 0.002 0.000 0.195 237 E C 0.163 176.817 176.600 0.090 0.000 1.047 237 E CA 0.081 56.553 56.400 0.120 0.000 0.867 237 E CB 0.183 29.909 29.700 0.043 0.000 0.858 237 E HN 0.436 nan 8.360 nan 0.000 0.513 238 K N 1.367 121.858 120.400 0.151 0.000 3.071 238 K HA -0.210 4.111 4.320 0.002 0.000 0.262 238 K C -0.497 176.133 176.600 0.050 0.000 0.977 238 K CA 0.615 56.959 56.287 0.095 0.000 0.721 238 K CB -1.493 31.045 32.500 0.063 0.000 1.293 238 K HN 0.276 nan 8.250 nan 0.000 0.475 239 R N 0.223 120.753 120.500 0.050 0.000 2.491 239 R HA 0.302 4.643 4.340 0.002 0.000 0.283 239 R C 0.757 177.072 176.300 0.025 0.000 1.072 239 R CA 0.007 56.090 56.100 -0.029 0.000 1.048 239 R CB 0.472 30.670 30.300 -0.169 0.000 0.983 239 R HN 0.165 nan 8.270 nan 0.000 0.450 240 I N 1.958 122.528 120.570 -0.000 0.000 2.389 240 I HA 0.062 4.233 4.170 0.002 0.000 0.288 240 I C 1.373 177.500 176.117 0.016 0.000 0.999 240 I CA -0.208 61.104 61.300 0.021 0.000 1.129 240 I CB 1.952 39.958 38.000 0.010 0.000 1.288 240 I HN 0.723 nan 8.210 nan 0.000 0.444 241 E N 6.032 126.257 120.200 0.042 0.000 2.028 241 E HA 0.039 4.390 4.350 0.002 0.000 0.190 241 E C 0.387 177.003 176.600 0.026 0.000 0.984 241 E CA 0.962 57.386 56.400 0.041 0.000 0.800 241 E CB 0.493 30.231 29.700 0.064 0.000 0.758 241 E HN 0.467 nan 8.360 nan 0.000 0.448 242 R N 1.008 121.524 120.500 0.028 0.000 2.412 242 R HA 0.267 4.608 4.340 0.002 0.000 0.304 242 R C -1.323 174.968 176.300 -0.014 0.000 1.066 242 R CA -0.640 55.464 56.100 0.007 0.000 0.923 242 R CB 1.364 31.674 30.300 0.016 0.000 1.156 242 R HN 0.095 nan 8.270 nan 0.000 0.513 243 L N 1.869 123.074 121.223 -0.029 0.000 2.410 243 L HA 0.189 4.530 4.340 0.002 0.000 0.273 243 L C -0.402 176.406 176.870 -0.102 0.000 1.152 243 L CA 0.880 55.693 54.840 -0.045 0.000 0.855 243 L CB 1.271 43.309 42.059 -0.035 0.000 1.129 243 L HN 0.458 nan 8.230 nan 0.000 0.463 244 S N 3.880 119.492 115.700 -0.146 0.000 2.524 244 S HA 0.495 4.966 4.470 0.002 0.000 0.227 244 S C -0.669 173.790 174.600 -0.235 0.000 1.304 244 S CA -0.610 57.390 58.200 -0.333 0.000 1.185 244 S CB 0.969 63.758 63.200 -0.685 0.000 1.104 244 S HN 0.349 nan 8.310 nan 0.000 0.475 245 V N 2.876 122.710 119.914 -0.134 0.000 2.834 245 V HA 0.605 4.727 4.120 0.002 0.000 0.313 245 V C 0.366 176.463 176.094 0.005 0.000 1.060 245 V CA -1.025 61.257 62.300 -0.030 0.000 0.989 245 V CB 1.747 33.559 31.823 -0.019 0.000 1.041 245 V HN 0.691 nan 8.190 nan 0.000 0.459 246 R N 1.879 122.413 120.500 0.056 0.000 2.778 246 R HA 0.625 4.966 4.340 0.002 0.000 0.277 246 R C -0.813 175.507 176.300 0.034 0.000 0.977 246 R CA -0.684 55.457 56.100 0.068 0.000 0.950 246 R CB 1.618 31.979 30.300 0.102 0.000 1.165 246 R HN 0.721 nan 8.270 nan 0.000 0.474 263 R N 0.671 121.122 120.500 -0.082 0.000 2.073 263 R HA -0.180 4.161 4.340 0.002 0.000 0.234 263 R C 2.046 178.294 176.300 -0.086 0.000 1.134 263 R CA 2.063 58.124 56.100 -0.065 0.000 0.952 263 R CB -0.158 30.127 30.300 -0.025 0.000 0.850 263 R HN 0.664 nan 8.270 nan 0.000 0.433 264 E N 0.604 120.757 120.200 -0.078 0.000 2.160 264 E HA -0.239 4.112 4.350 0.002 0.000 0.195 264 E C 2.063 178.556 176.600 -0.178 0.000 0.991 264 E CA 1.068 57.412 56.400 -0.092 0.000 0.810 264 E CB 0.069 29.747 29.700 -0.036 0.000 0.742 264 E HN 0.151 nan 8.360 nan 0.000 0.466 265 R N 0.239 120.612 120.500 -0.211 0.000 2.066 265 R HA -0.095 4.246 4.340 0.002 0.000 0.232 265 R C 2.364 178.509 176.300 -0.259 0.000 1.131 265 R CA 1.481 57.398 56.100 -0.304 0.000 0.955 265 R CB -0.151 29.854 30.300 -0.492 0.000 0.851 265 R HN 0.205 nan 8.270 nan 0.000 0.432 266 I N 0.240 120.686 120.570 -0.207 0.000 2.226 266 I HA -0.280 3.891 4.170 0.002 0.000 0.245 266 I C 2.126 178.154 176.117 -0.149 0.000 1.100 266 I CA 1.240 62.448 61.300 -0.153 0.000 1.374 266 I CB -0.250 37.687 38.000 -0.105 0.000 1.057 266 I HN 0.208 nan 8.210 nan 0.000 0.413 267 I N 0.840 121.310 120.570 -0.165 0.000 2.179 267 I HA -0.299 3.872 4.170 0.002 0.000 0.242 267 I C 2.433 178.350 176.117 -0.333 0.000 1.088 267 I CA 1.627 62.811 61.300 -0.194 0.000 1.357 267 I CB -0.329 37.563 38.000 -0.181 0.000 1.051 267 I HN 0.136 nan 8.210 nan 0.000 0.409 268 K N -0.059 120.083 120.400 -0.429 0.000 2.211 268 K HA -0.173 4.148 4.320 0.002 0.000 0.203 268 K C 2.196 178.668 176.600 -0.213 0.000 1.050 268 K CA 0.813 56.830 56.287 -0.450 0.000 0.945 268 K CB -0.044 32.239 32.500 -0.363 0.000 0.732 268 K HN 0.053 nan 8.250 nan 0.000 0.451 269 R N 1.169 121.571 120.500 -0.163 0.000 2.080 269 R HA 0.084 4.425 4.340 0.002 0.000 0.222 269 R C 1.917 178.154 176.300 -0.105 0.000 1.107 269 R CA 1.401 57.440 56.100 -0.101 0.000 0.980 269 R CB -0.623 29.625 30.300 -0.086 0.000 0.879 269 R HN 0.109 nan 8.270 nan 0.000 0.439 270 A N 0.711 123.459 122.820 -0.121 0.000 1.917 270 A HA -0.108 4.213 4.320 0.002 0.000 0.219 270 A C 2.335 179.823 177.584 -0.159 0.000 1.182 270 A CA 1.922 53.877 52.037 -0.137 0.000 0.633 270 A CB -1.133 17.808 19.000 -0.098 0.000 0.819 270 A HN 0.465 nan 8.150 nan 0.000 0.448 271 A N -0.609 122.191 122.820 -0.034 0.000 2.076 271 A HA -0.005 4.316 4.320 0.002 0.000 0.220 271 A C 1.953 179.620 177.584 0.139 0.000 1.160 271 A CA 1.371 53.519 52.037 0.185 0.000 0.653 271 A CB -0.551 18.548 19.000 0.164 0.000 0.801 271 A HN 0.496 nan 8.150 nan 0.000 0.455 272 L N -0.449 120.772 121.223 -0.003 0.000 2.552 272 L HA -0.041 4.300 4.340 0.002 0.000 0.227 272 L C 1.897 178.728 176.870 -0.064 0.000 1.146 272 L CA 0.293 55.131 54.840 -0.003 0.000 0.858 272 L CB -0.199 41.852 42.059 -0.014 0.000 0.969 272 L HN 0.291 nan 8.230 nan 0.000 0.451 273 E N 0.088 120.162 120.200 -0.210 0.000 2.285 273 E HA -0.023 4.328 4.350 0.002 0.000 0.194 273 E C 0.211 176.649 176.600 -0.270 0.000 0.997 273 E CA 0.402 56.633 56.400 -0.283 0.000 0.845 273 E CB 0.009 29.463 29.700 -0.409 0.000 0.782 273 E HN 0.238 nan 8.360 nan 0.000 0.491 274 F N 1.939 121.885 119.950 -0.007 0.000 2.495 274 F HA 0.137 4.666 4.527 0.002 0.000 0.365 274 F C 1.057 176.842 175.800 -0.024 0.000 1.090 274 F CA 0.093 58.083 58.000 -0.017 0.000 1.235 274 F CB 0.512 39.500 39.000 -0.020 0.000 1.119 274 F HN -0.253 nan 8.300 nan 0.000 0.562 275 E N 0.516 120.806 120.200 0.149 0.000 2.281 275 E HA 0.213 4.564 4.350 0.002 0.000 0.262 275 E C -1.392 175.221 176.600 0.021 0.000 0.933 275 E CA -1.176 55.262 56.400 0.064 0.000 0.809 275 E CB 1.418 31.138 29.700 0.034 0.000 1.242 275 E HN 0.422 nan 8.360 nan 0.000 0.418 276 D N -0.343 120.051 120.400 -0.010 0.000 2.383 276 D HA 0.255 4.896 4.640 0.002 0.000 0.252 276 D C 0.671 176.926 176.300 -0.075 0.000 1.166 276 D CA 1.407 55.375 54.000 -0.055 0.000 0.879 276 D CB 0.487 41.264 40.800 -0.039 0.000 1.164 276 D HN 0.602 nan 8.370 nan 0.000 0.462 277 G N 3.453 112.163 108.800 -0.150 0.000 2.143 277 G HA2 -0.302 3.659 3.960 0.002 0.000 0.249 277 G HA3 -0.302 3.659 3.960 0.002 0.000 0.249 277 G C 0.430 175.186 174.900 -0.240 0.000 0.981 277 G CA 0.337 45.336 45.100 -0.169 0.000 0.665 277 G HN 0.601 nan 8.290 nan 0.000 0.528 278 M N 0.375 119.856 119.600 -0.200 0.000 2.233 278 M HA 0.632 5.113 4.480 0.002 0.000 0.350 278 M C -0.380 175.777 176.300 -0.238 0.000 1.176 278 M CA -0.513 54.715 55.300 -0.121 0.000 1.150 278 M CB 0.438 33.054 32.600 0.027 0.000 1.530 278 M HN 0.102 nan 8.290 nan 0.000 0.459 279 Y N 3.261 123.637 120.300 0.126 0.000 2.335 279 Y HA 0.638 5.189 4.550 0.002 0.000 0.339 279 Y C 0.027 175.996 175.900 0.115 0.000 0.987 279 Y CA -0.580 57.597 58.100 0.129 0.000 1.140 279 Y CB 1.271 39.790 38.460 0.099 0.000 1.173 279 Y HN 0.729 nan 8.280 nan 0.000 0.486 280 A N 3.534 126.503 122.820 0.248 0.000 2.414 280 A HA 0.542 4.863 4.320 0.002 0.000 0.306 280 A C -1.141 176.546 177.584 0.172 0.000 1.054 280 A CA -0.900 51.262 52.037 0.209 0.000 0.724 280 A CB 1.351 20.520 19.000 0.281 0.000 1.267 280 A HN 0.691 nan 8.150 nan 0.000 0.418 281 N N 2.470 121.253 118.700 0.138 0.000 2.443 281 N HA 0.493 5.234 4.740 0.002 0.000 0.269 281 N C -1.576 174.000 175.510 0.109 0.000 0.985 281 N CA -0.184 52.930 53.050 0.107 0.000 0.921 281 N CB 0.836 39.373 38.487 0.084 0.000 1.195 281 N HN 0.616 nan 8.380 nan 0.000 0.492 282 L N 2.180 123.470 121.223 0.112 0.000 2.307 282 L HA 0.527 4.868 4.340 0.002 0.000 0.284 282 L C 1.280 178.205 176.870 0.092 0.000 1.023 282 L CA -1.014 53.897 54.840 0.118 0.000 0.810 282 L CB 1.733 43.888 42.059 0.159 0.000 1.231 282 L HN 0.449 nan 8.230 nan 0.000 0.423 283 G N 2.320 111.171 108.800 0.085 0.000 2.572 283 G HA2 0.472 4.433 3.960 0.002 0.000 0.261 283 G HA3 0.472 4.433 3.960 0.002 0.000 0.261 283 G C 0.039 174.987 174.900 0.080 0.000 1.197 283 G CA -0.784 44.362 45.100 0.077 0.000 0.870 283 G HN 0.684 nan 8.290 nan 0.000 0.548 284 I N -0.433 120.183 120.570 0.077 0.000 2.815 284 I HA 0.441 4.612 4.170 0.002 0.000 0.291 284 I C 1.110 177.277 176.117 0.082 0.000 1.209 284 I CA 0.517 61.868 61.300 0.085 0.000 1.431 284 I CB -0.042 38.005 38.000 0.079 0.000 1.351 284 I HN 1.226 nan 8.210 nan 0.000 0.585 285 G N 4.267 113.121 108.800 0.090 0.000 2.603 285 G HA2 -0.275 3.686 3.960 0.002 0.000 0.245 285 G HA3 -0.275 3.686 3.960 0.002 0.000 0.245 285 G C 0.427 175.376 174.900 0.082 0.000 1.195 285 G CA 0.075 45.223 45.100 0.081 0.000 0.953 285 G HN 0.723 nan 8.290 nan 0.000 0.566 286 I N 2.778 123.385 120.570 0.063 0.000 2.163 286 I HA -0.123 4.048 4.170 0.002 0.000 0.243 286 I C 0.104 176.265 176.117 0.073 0.000 1.085 286 I CA 2.392 63.724 61.300 0.054 0.000 1.347 286 I CB -1.013 37.000 38.000 0.021 0.000 1.044 286 I HN 0.339 nan 8.210 nan 0.000 0.408 287 P HA -0.187 nan 4.420 nan 0.000 0.215 287 P C 1.819 179.218 177.300 0.165 0.000 1.157 287 P CA 1.204 64.365 63.100 0.102 0.000 0.868 287 P CB 0.004 31.753 31.700 0.082 0.000 0.788 288 L N -1.023 120.278 121.223 0.129 0.000 2.093 288 L HA -0.079 4.262 4.340 0.002 0.000 0.208 288 L C 2.159 179.094 176.870 0.109 0.000 1.085 288 L CA 1.642 56.548 54.840 0.110 0.000 0.755 288 L CB -1.376 40.734 42.059 0.085 0.000 0.904 288 L HN -0.132 nan 8.230 nan 0.000 0.435 289 L N -0.696 120.607 121.223 0.133 0.000 2.131 289 L HA -0.145 4.196 4.340 0.002 0.000 0.210 289 L C 2.576 179.602 176.870 0.259 0.000 1.092 289 L CA 0.971 55.911 54.840 0.168 0.000 0.759 289 L CB -0.843 41.315 42.059 0.165 0.000 0.903 289 L HN 0.352 nan 8.230 nan 0.000 0.435 290 A N 0.068 123.036 122.820 0.246 0.000 2.070 290 A HA -0.193 4.128 4.320 0.002 0.000 0.220 290 A C 2.487 180.312 177.584 0.401 0.000 1.159 290 A CA 1.697 53.933 52.037 0.331 0.000 0.656 290 A CB -0.544 18.629 19.000 0.289 0.000 0.800 290 A HN 0.532 nan 8.150 nan 0.000 0.453 291 S N 0.498 116.308 115.700 0.183 0.000 2.447 291 S HA -0.145 4.326 4.470 0.002 0.000 0.233 291 S C 1.506 176.031 174.600 -0.124 0.000 1.006 291 S CA 1.063 59.149 58.200 -0.190 0.000 0.957 291 S CB -0.581 62.483 63.200 -0.227 0.000 0.773 291 S HN 0.588 nan 8.310 nan 0.000 0.507 292 N N 1.387 120.093 118.700 0.010 0.000 2.289 292 N HA 0.026 4.767 4.740 0.002 0.000 0.184 292 N C 0.808 176.211 175.510 -0.178 0.000 1.016 292 N CA 1.071 54.055 53.050 -0.110 0.000 0.872 292 N CB -0.562 37.831 38.487 -0.157 0.000 0.973 292 N HN 0.573 nan 8.380 nan 0.000 0.433 293 F N 0.878 120.807 119.950 -0.035 0.000 2.797 293 F HA 0.276 4.805 4.527 0.002 0.000 0.302 293 F C 0.917 176.703 175.800 -0.023 0.000 1.130 293 F CA -0.351 57.646 58.000 -0.006 0.000 1.387 293 F CB -0.016 39.009 39.000 0.041 0.000 1.107 293 F HN -0.169 nan 8.300 nan 0.000 0.577 294 I N 0.206 120.796 120.570 0.033 0.000 2.710 294 I HA -0.086 4.085 4.170 0.002 0.000 0.286 294 I C 1.065 177.151 176.117 -0.052 0.000 1.181 294 I CA 0.005 61.270 61.300 -0.058 0.000 1.430 294 I CB 0.535 38.364 38.000 -0.285 0.000 1.367 294 I HN -0.068 nan 8.210 nan 0.000 0.577 295 S N 7.090 122.776 115.700 -0.022 0.000 2.562 295 S HA 0.154 4.625 4.470 0.002 0.000 0.281 295 S C -1.370 173.193 174.600 -0.060 0.000 1.333 295 S CA -1.111 57.072 58.200 -0.028 0.000 1.052 295 S CB 0.903 64.099 63.200 -0.007 0.000 0.884 295 S HN 0.379 nan 8.310 nan 0.000 0.506 296 P HA -0.041 nan 4.420 nan 0.000 0.218 296 P C 0.773 178.038 177.300 -0.059 0.000 1.149 296 P CA 0.920 63.981 63.100 -0.064 0.000 0.817 296 P CB 0.030 31.699 31.700 -0.052 0.000 0.785 297 N N -1.119 117.554 118.700 -0.045 0.000 2.459 297 N HA -0.032 4.710 4.740 0.002 0.000 0.181 297 N C 0.828 176.308 175.510 -0.050 0.000 1.046 297 N CA 0.453 53.479 53.050 -0.040 0.000 0.904 297 N CB -0.203 38.269 38.487 -0.025 0.000 0.964 297 N HN 0.291 nan 8.380 nan 0.000 0.444 298 M N 1.070 120.632 119.600 -0.062 0.000 2.188 298 M HA 0.126 4.607 4.480 0.002 0.000 0.357 298 M C -0.837 175.382 176.300 -0.135 0.000 1.204 298 M CA -0.057 55.195 55.300 -0.080 0.000 1.095 298 M CB 0.939 33.504 32.600 -0.059 0.000 1.604 298 M HN -0.205 nan 8.290 nan 0.000 0.464 299 T N 4.622 119.073 114.554 -0.171 0.000 2.753 299 T HA 0.510 4.861 4.350 0.002 0.000 0.297 299 T C -0.759 173.690 174.700 -0.418 0.000 0.981 299 T CA -0.543 61.384 62.100 -0.288 0.000 0.956 299 T CB 0.617 69.324 68.868 -0.269 0.000 0.936 299 T HN 0.476 nan 8.240 nan 0.000 0.463 300 V N 5.068 124.710 119.914 -0.452 0.000 2.444 300 V HA 0.323 4.444 4.120 0.002 0.000 0.294 300 V C -0.457 175.363 176.094 -0.456 0.000 1.022 300 V CA -1.016 61.030 62.300 -0.424 0.000 0.850 300 V CB 1.350 32.991 31.823 -0.303 0.000 0.992 300 V HN 0.831 nan 8.190 nan 0.000 0.426 301 H N 5.485 124.449 119.070 -0.177 0.000 2.594 301 H HA 0.478 5.035 4.556 0.001 0.000 0.304 301 H C -0.492 174.848 175.328 0.021 0.000 1.068 301 H CA -0.321 55.678 56.048 -0.082 0.000 1.308 301 H CB 1.507 31.227 29.762 -0.072 0.000 1.409 301 H HN 0.429 nan 8.280 nan 0.000 0.460 302 L N 3.068 124.354 121.223 0.106 0.000 2.275 302 L HA 0.223 4.564 4.340 0.002 0.000 0.288 302 L C 0.650 177.576 176.870 0.094 0.000 1.046 302 L CA -0.448 54.441 54.840 0.082 0.000 0.805 302 L CB 1.375 43.437 42.059 0.004 0.000 1.193 302 L HN 0.409 nan 8.230 nan 0.000 0.426 303 Q N 2.145 122.010 119.800 0.108 0.000 2.245 303 Q HA 0.387 4.728 4.340 0.002 0.000 0.256 303 Q C -1.224 174.787 176.000 0.019 0.000 0.942 303 Q CA -0.125 55.729 55.803 0.085 0.000 0.896 303 Q CB 2.216 31.019 28.738 0.108 0.000 1.272 303 Q HN 0.598 nan 8.270 nan 0.000 0.442 304 S N 1.477 117.152 115.700 -0.042 0.000 2.532 304 S HA 0.156 4.627 4.470 0.002 0.000 0.299 304 S C 0.754 175.233 174.600 -0.200 0.000 1.105 304 S CA -0.522 57.614 58.200 -0.107 0.000 1.018 304 S CB 0.973 64.094 63.200 -0.132 0.000 1.021 304 S HN 0.696 nan 8.310 nan 0.000 0.483 305 E N 3.562 123.629 120.200 -0.221 0.000 2.204 305 E HA -0.181 4.170 4.350 0.002 0.000 0.194 305 E C 1.010 177.319 176.600 -0.485 0.000 0.989 305 E CA 1.136 57.298 56.400 -0.397 0.000 0.824 305 E CB -0.478 29.073 29.700 -0.247 0.000 0.756 305 E HN 0.726 nan 8.360 nan 0.000 0.477 306 N N 1.482 119.834 118.700 -0.581 0.000 2.609 306 N HA -0.065 4.676 4.740 0.002 0.000 0.190 306 N C 0.869 176.035 175.510 -0.573 0.000 1.157 306 N CA 1.205 53.742 53.050 -0.854 0.000 0.918 306 N CB 0.253 37.748 38.487 -1.654 0.000 0.978 306 N HN 0.367 nan 8.380 nan 0.000 0.448 307 G N 0.085 108.561 108.800 -0.541 0.000 2.468 307 G HA2 -0.051 3.910 3.960 0.002 0.000 0.143 307 G HA3 -0.051 3.910 3.960 0.002 0.000 0.143 307 G C -0.699 173.469 174.900 -1.220 0.000 1.065 307 G CA -0.354 44.264 45.100 -0.803 0.000 0.776 307 G HN 0.306 nan 8.290 nan 0.000 0.486 308 I N -0.235 119.804 120.570 -0.885 0.000 2.647 308 I HA 0.671 4.842 4.170 0.002 0.000 0.295 308 I C -0.635 175.294 176.117 -0.313 0.000 1.078 308 I CA -1.339 59.573 61.300 -0.647 0.000 1.048 308 I CB 2.180 40.002 38.000 -0.296 0.000 1.239 308 I HN 0.096 nan 8.210 nan 0.000 0.421 309 L N 4.780 125.912 121.223 -0.153 0.000 2.356 309 L HA 0.834 5.176 4.340 0.002 0.000 0.277 309 L C 0.308 177.147 176.870 -0.053 0.000 0.996 309 L CA 0.277 55.150 54.840 0.055 0.000 0.822 309 L CB 1.622 43.805 42.059 0.206 0.000 1.256 309 L HN 0.831 nan 8.230 nan 0.000 0.413 310 G N 4.440 113.243 108.800 0.005 0.000 2.237 310 G HA2 -0.151 3.810 3.960 0.002 0.000 0.153 310 G HA3 -0.151 3.810 3.960 0.002 0.000 0.153 310 G C -0.163 174.710 174.900 -0.046 0.000 1.039 310 G CA -0.208 44.894 45.100 0.004 0.000 0.719 310 G HN 0.616 nan 8.290 nan 0.000 0.491 311 L N 0.525 121.720 121.223 -0.047 0.000 2.525 311 L HA 0.425 4.766 4.340 0.002 0.000 0.278 311 L C 1.518 178.344 176.870 -0.075 0.000 1.218 311 L CA 0.927 55.729 54.840 -0.064 0.000 0.878 311 L CB 0.530 42.554 42.059 -0.059 0.000 1.127 311 L HN 0.368 nan 8.230 nan 0.000 0.492 312 G N 3.655 112.408 108.800 -0.079 0.000 2.828 312 G HA2 0.621 4.582 3.960 0.002 0.000 0.244 312 G HA3 0.621 4.582 3.960 0.002 0.000 0.244 312 G C -2.599 172.218 174.900 -0.138 0.000 1.365 312 G CA -0.731 44.313 45.100 -0.093 0.000 1.041 312 G HN 0.435 nan 8.290 nan 0.000 0.560 313 P HA 0.219 nan 4.420 nan 0.000 0.277 313 P C -0.992 176.222 177.300 -0.142 0.000 1.276 313 P CA -0.480 62.499 63.100 -0.200 0.000 0.788 313 P CB 0.426 32.055 31.700 -0.118 0.000 1.114 314 Y N -0.108 120.186 120.300 -0.009 0.000 2.480 314 Y HA 0.139 4.689 4.550 0.001 0.000 0.338 314 Y C -1.337 174.561 175.900 -0.004 0.000 1.220 314 Y CA -1.869 56.231 58.100 -0.001 0.000 1.430 314 Y CB -1.185 37.276 38.460 0.002 0.000 1.311 314 Y HN 0.283 nan 8.280 nan 0.000 0.575 315 P HA 0.131 nan 4.420 nan 0.000 0.274 315 P C -0.483 176.859 177.300 0.069 0.000 1.231 315 P CA -0.236 62.917 63.100 0.089 0.000 0.790 315 P CB 1.030 32.772 31.700 0.070 0.000 0.951 316 L N 1.498 122.747 121.223 0.044 0.000 2.476 316 L HA 0.023 4.364 4.340 0.002 0.000 0.264 316 L C 2.405 179.288 176.870 0.022 0.000 1.224 316 L CA -0.098 54.760 54.840 0.029 0.000 0.821 316 L CB -0.179 41.892 42.059 0.020 0.000 1.101 316 L HN 0.380 nan 8.230 nan 0.000 0.488 317 Q N 1.540 121.349 119.800 0.014 0.000 2.133 317 Q HA -0.248 4.093 4.340 0.002 0.000 0.208 317 Q C 1.739 177.745 176.000 0.009 0.000 0.991 317 Q CA 2.374 58.182 55.803 0.009 0.000 0.867 317 Q CB -0.167 28.573 28.738 0.005 0.000 0.911 317 Q HN 0.738 nan 8.270 nan 0.000 0.417 318 N N -0.691 118.015 118.700 0.010 0.000 2.494 318 N HA -0.134 4.607 4.740 0.002 0.000 0.182 318 N C 0.672 176.188 175.510 0.011 0.000 1.076 318 N CA 0.988 54.044 53.050 0.010 0.000 0.908 318 N CB -0.054 38.439 38.487 0.010 0.000 0.967 318 N HN 0.413 nan 8.380 nan 0.000 0.449 319 E N 0.373 120.582 120.200 0.015 0.000 2.474 319 E HA 0.137 4.488 4.350 0.002 0.000 0.194 319 E C -0.101 176.510 176.600 0.017 0.000 1.041 319 E CA -0.261 56.149 56.400 0.016 0.000 0.874 319 E CB 0.771 30.485 29.700 0.022 0.000 0.914 319 E HN 0.066 nan 8.360 nan 0.000 0.498 320 V N 2.233 122.157 119.914 0.016 0.000 2.763 320 V HA -0.004 4.117 4.120 0.002 0.000 0.306 320 V C 0.106 176.204 176.094 0.005 0.000 1.059 320 V CA 0.523 62.833 62.300 0.016 0.000 1.138 320 V CB 0.820 32.650 31.823 0.011 0.000 0.940 320 V HN 0.127 nan 8.190 nan 0.000 0.489 321 D N 2.337 122.740 120.400 0.005 0.000 2.966 321 D HA 0.477 5.118 4.640 0.002 0.000 0.222 321 D C 0.404 176.699 176.300 -0.009 0.000 1.292 321 D CA -0.031 53.960 54.000 -0.015 0.000 0.907 321 D CB 2.276 43.055 40.800 -0.036 0.000 1.621 321 D HN 0.475 nan 8.370 nan 0.000 0.557 322 A N 2.923 125.736 122.820 -0.012 0.000 2.067 322 A HA -0.096 4.225 4.320 0.002 0.000 0.219 322 A C 1.201 178.785 177.584 -0.001 0.000 1.158 322 A CA 1.141 53.184 52.037 0.009 0.000 0.661 322 A CB 0.042 19.056 19.000 0.023 0.000 0.801 322 A HN 0.481 nan 8.150 nan 0.000 0.452 323 D N -1.429 118.937 120.400 -0.056 0.000 2.340 323 D HA 0.161 4.802 4.640 0.002 0.000 0.220 323 D C -0.257 175.978 176.300 -0.108 0.000 1.039 323 D CA 0.373 54.312 54.000 -0.101 0.000 0.866 323 D CB 0.423 41.098 40.800 -0.209 0.000 0.913 323 D HN 0.284 nan 8.370 nan 0.000 0.523 324 L N 1.745 122.938 121.223 -0.049 0.000 2.454 324 L HA 0.385 4.726 4.340 0.002 0.000 0.258 324 L C -0.827 176.068 176.870 0.042 0.000 1.025 324 L CA -0.774 54.058 54.840 -0.013 0.000 0.901 324 L CB 0.357 42.418 42.059 0.004 0.000 1.210 324 L HN -0.076 nan 8.230 nan 0.000 0.457 325 I N 1.001 121.607 120.570 0.061 0.000 2.892 325 I HA 0.721 4.892 4.170 0.002 0.000 0.306 325 I C -0.457 175.718 176.117 0.096 0.000 1.078 325 I CA -0.857 60.508 61.300 0.108 0.000 1.032 325 I CB 2.064 40.159 38.000 0.158 0.000 1.229 325 I HN 0.544 nan 8.210 nan 0.000 0.435 326 N N 3.289 122.066 118.700 0.128 0.000 2.405 326 N HA 0.357 5.098 4.740 0.002 0.000 0.269 326 N C 0.796 176.412 175.510 0.177 0.000 1.249 326 N CA -0.094 53.016 53.050 0.098 0.000 0.974 326 N CB 0.680 39.229 38.487 0.103 0.000 1.204 326 N HN 0.831 nan 8.380 nan 0.000 0.565 327 A N -0.905 121.996 122.820 0.135 0.000 2.024 327 A HA 0.038 4.359 4.320 0.002 0.000 0.220 327 A C 1.780 179.536 177.584 0.286 0.000 1.164 327 A CA 1.605 53.794 52.037 0.254 0.000 0.643 327 A CB -1.477 17.605 19.000 0.136 0.000 0.806 327 A HN 0.820 nan 8.150 nan 0.000 0.451 328 G N -1.660 107.251 108.800 0.186 0.000 3.026 328 G HA2 0.235 4.196 3.960 0.002 0.000 0.208 328 G HA3 0.235 4.196 3.960 0.002 0.000 0.208 328 G C 0.655 175.645 174.900 0.149 0.000 1.169 328 G CA 0.532 45.713 45.100 0.136 0.000 0.788 328 G HN 0.350 nan 8.290 nan 0.000 0.533 329 K N -0.518 120.009 120.400 0.211 0.000 3.446 329 K HA -0.164 4.157 4.320 0.002 0.000 0.312 329 K C -0.044 176.640 176.600 0.141 0.000 1.329 329 K CA 0.961 57.356 56.287 0.180 0.000 0.935 329 K CB -1.792 30.772 32.500 0.108 0.000 1.281 329 K HN 0.642 nan 8.250 nan 0.000 0.457 330 E N 1.590 121.878 120.200 0.147 0.000 2.301 330 E HA 0.194 4.545 4.350 0.002 0.000 0.275 330 E C 0.388 177.071 176.600 0.138 0.000 1.030 330 E CA -0.188 56.282 56.400 0.115 0.000 0.852 330 E CB 0.697 30.483 29.700 0.144 0.000 1.060 330 E HN 0.227 nan 8.360 nan 0.000 0.401 331 T N -0.636 113.973 114.554 0.092 0.000 2.902 331 T HA 0.290 4.641 4.350 0.002 0.000 0.301 331 T C 0.372 175.186 174.700 0.190 0.000 1.012 331 T CA -0.780 61.382 62.100 0.104 0.000 1.151 331 T CB 0.248 69.150 68.868 0.057 0.000 0.946 331 T HN 0.313 nan 8.240 nan 0.000 0.542 332 V N -0.151 119.857 119.914 0.156 0.000 3.105 332 V HA 0.976 5.097 4.120 0.002 0.000 0.311 332 V C 0.086 176.232 176.094 0.087 0.000 1.287 332 V CA -0.630 61.764 62.300 0.156 0.000 1.066 332 V CB 1.466 33.349 31.823 0.099 0.000 1.105 332 V HN 1.269 nan 8.190 nan 0.000 0.462 333 T N -1.067 113.515 114.554 0.046 0.000 2.910 333 T HA 0.871 5.222 4.350 0.002 0.000 0.287 333 T C -0.383 174.318 174.700 0.002 0.000 1.050 333 T CA -0.149 61.968 62.100 0.028 0.000 1.011 333 T CB 1.542 70.420 68.868 0.017 0.000 1.195 333 T HN 2.113 nan 8.240 nan 0.000 0.540 334 V N -0.592 119.321 119.914 -0.001 0.000 2.769 334 V HA 0.734 4.855 4.120 0.002 0.000 0.312 334 V C -0.258 175.813 176.094 -0.038 0.000 1.061 334 V CA -1.281 60.994 62.300 -0.041 0.000 0.931 334 V CB 1.061 32.833 31.823 -0.084 0.000 1.010 334 V HN 1.000 nan 8.190 nan 0.000 0.433 335 L N 2.130 123.326 121.223 -0.046 0.000 2.479 335 L HA 0.520 4.861 4.340 0.002 0.000 0.249 335 L C -2.050 174.804 176.870 -0.026 0.000 1.178 335 L CA -1.714 53.108 54.840 -0.031 0.000 0.811 335 L CB 0.717 42.762 42.059 -0.024 0.000 1.187 335 L HN 0.464 nan 8.230 nan 0.000 0.480 336 P HA 0.137 nan 4.420 nan 0.000 0.271 336 P C 0.422 177.717 177.300 -0.008 0.000 1.216 336 P CA 0.357 63.452 63.100 -0.008 0.000 0.776 336 P CB 0.744 32.444 31.700 -0.000 0.000 0.881 337 G N 1.005 109.793 108.800 -0.020 0.000 2.157 337 G HA2 -0.110 3.851 3.960 0.002 0.000 0.248 337 G HA3 -0.110 3.851 3.960 0.002 0.000 0.248 337 G C 0.441 175.301 174.900 -0.066 0.000 0.979 337 G CA -0.029 45.052 45.100 -0.032 0.000 0.650 337 G HN 0.845 nan 8.290 nan 0.000 0.529 338 A N -0.254 122.508 122.820 -0.097 0.000 2.346 338 A HA 0.845 5.166 4.320 0.002 0.000 0.252 338 A C 0.803 178.243 177.584 -0.240 0.000 1.089 338 A CA 0.969 52.899 52.037 -0.179 0.000 0.797 338 A CB 0.633 19.481 19.000 -0.253 0.000 1.047 338 A HN 1.983 nan 8.150 nan 0.000 0.494 339 S N -0.957 114.563 115.700 -0.300 0.000 2.595 339 S HA 0.759 5.230 4.470 0.002 0.000 0.281 339 S C -1.351 172.976 174.600 -0.455 0.000 1.117 339 S CA -0.639 57.414 58.200 -0.245 0.000 0.873 339 S CB 0.918 64.121 63.200 0.005 0.000 1.108 339 S HN 0.527 nan 8.310 nan 0.000 0.477 340 Y N 0.703 120.939 120.300 -0.107 0.000 2.468 340 Y HA 0.812 5.362 4.550 0.001 0.000 0.342 340 Y C -0.305 175.447 175.900 -0.247 0.000 1.021 340 Y CA -1.080 56.802 58.100 -0.365 0.000 1.079 340 Y CB 1.587 39.888 38.460 -0.265 0.000 1.226 340 Y HN 0.873 nan 8.280 nan 0.000 0.460 341 F N -1.985 117.931 119.950 -0.057 0.000 2.741 341 F HA 0.712 5.240 4.527 0.002 0.000 0.313 341 F C -0.346 175.316 175.800 -0.230 0.000 1.153 341 F CA -1.671 56.229 58.000 -0.167 0.000 0.931 341 F CB 0.478 39.372 39.000 -0.177 0.000 1.335 341 F HN 0.355 nan 8.300 nan 0.000 0.460 342 S N -0.108 115.569 115.700 -0.037 0.000 2.617 342 S HA 0.299 4.770 4.470 0.002 0.000 0.259 342 S C 0.623 175.117 174.600 -0.175 0.000 1.301 342 S CA 0.066 58.148 58.200 -0.198 0.000 0.984 342 S CB 1.160 64.222 63.200 -0.229 0.000 0.954 342 S HN 0.681 nan 8.310 nan 0.000 0.572 343 S N 1.451 116.945 115.700 -0.343 0.000 2.357 343 S HA -0.116 4.355 4.470 0.002 0.000 0.221 343 S C 1.798 176.274 174.600 -0.206 0.000 1.031 343 S CA 1.148 59.106 58.200 -0.405 0.000 0.982 343 S CB -0.749 61.860 63.200 -0.985 0.000 0.853 343 S HN 0.930 nan 8.310 nan 0.000 0.458 344 D N 1.733 121.999 120.400 -0.223 0.000 2.149 344 D HA -0.226 4.415 4.640 0.002 0.000 0.194 344 D C 1.750 178.008 176.300 -0.069 0.000 1.001 344 D CA 1.536 55.474 54.000 -0.104 0.000 0.849 344 D CB -0.521 40.196 40.800 -0.138 0.000 0.939 344 D HN 0.397 nan 8.370 nan 0.000 0.449 345 E N 0.844 120.983 120.200 -0.102 0.000 2.107 345 E HA -0.124 4.227 4.350 0.002 0.000 0.191 345 E C 2.084 178.580 176.600 -0.172 0.000 0.982 345 E CA 1.396 57.715 56.400 -0.135 0.000 0.809 345 E CB -0.448 29.171 29.700 -0.134 0.000 0.756 345 E HN 0.175 nan 8.360 nan 0.000 0.459 346 S N -1.278 114.376 115.700 -0.077 0.000 2.382 346 S HA -0.100 4.371 4.470 0.002 0.000 0.228 346 S C 1.512 175.932 174.600 -0.300 0.000 1.027 346 S CA 1.156 59.276 58.200 -0.134 0.000 0.991 346 S CB -0.398 62.681 63.200 -0.202 0.000 0.823 346 S HN 0.355 nan 8.310 nan 0.000 0.469 347 F N 1.491 121.419 119.950 -0.036 0.000 2.512 347 F HA 0.385 4.913 4.527 0.002 0.000 0.296 347 F C 2.371 178.153 175.800 -0.030 0.000 1.110 347 F CA 0.221 58.209 58.000 -0.020 0.000 1.446 347 F CB -0.795 38.199 39.000 -0.011 0.000 1.092 347 F HN 0.243 nan 8.300 nan 0.000 0.554 348 A N 0.070 122.931 122.820 0.069 0.000 1.883 348 A HA -0.248 4.073 4.320 0.002 0.000 0.217 348 A C 2.301 179.916 177.584 0.051 0.000 1.186 348 A CA 1.817 53.866 52.037 0.020 0.000 0.624 348 A CB -0.797 18.169 19.000 -0.056 0.000 0.822 348 A HN 0.364 nan 8.150 nan 0.000 0.444 349 M N -0.608 118.974 119.600 -0.030 0.000 2.082 349 M HA -0.179 4.302 4.480 0.002 0.000 0.258 349 M C 2.068 178.421 176.300 0.089 0.000 1.071 349 M CA 2.098 57.396 55.300 -0.005 0.000 1.103 349 M CB -0.340 32.114 32.600 -0.244 0.000 1.307 349 M HN 0.469 nan 8.290 nan 0.000 0.409 350 I N -0.901 119.696 120.570 0.045 0.000 2.163 350 I HA -0.315 3.856 4.170 0.002 0.000 0.240 350 I C 2.612 178.790 176.117 0.103 0.000 1.081 350 I CA 1.360 62.713 61.300 0.088 0.000 1.353 350 I CB -0.530 37.561 38.000 0.152 0.000 1.054 350 I HN 0.331 nan 8.210 nan 0.000 0.407 351 R N 0.990 121.575 120.500 0.141 0.000 2.193 351 R HA -0.126 4.215 4.340 0.002 0.000 0.229 351 R C 2.039 178.364 176.300 0.042 0.000 1.110 351 R CA 1.357 57.524 56.100 0.111 0.000 0.988 351 R CB -0.318 30.063 30.300 0.135 0.000 0.871 351 R HN 0.446 nan 8.270 nan 0.000 0.458 352 G N -1.102 107.692 108.800 -0.011 0.000 2.813 352 G HA2 0.065 4.026 3.960 0.002 0.000 0.209 352 G HA3 0.065 4.026 3.960 0.002 0.000 0.209 352 G C 0.782 175.478 174.900 -0.340 0.000 1.150 352 G CA 0.404 45.402 45.100 -0.170 0.000 0.785 352 G HN 0.505 nan 8.290 nan 0.000 0.535 353 G N -0.223 108.460 108.800 -0.196 0.000 2.160 353 G HA2 -0.262 3.699 3.960 0.002 0.000 0.244 353 G HA3 -0.262 3.699 3.960 0.002 0.000 0.244 353 G C 0.813 175.598 174.900 -0.192 0.000 1.022 353 G CA 0.490 45.495 45.100 -0.159 0.000 0.741 353 G HN 0.543 nan 8.290 nan 0.000 0.508 354 H N -0.977 118.068 119.070 -0.041 0.000 2.482 354 H HA 0.138 4.695 4.556 0.002 0.000 0.286 354 H C 1.613 176.902 175.328 -0.065 0.000 1.017 354 H CA 1.075 57.071 56.048 -0.087 0.000 1.322 354 H CB 0.283 29.946 29.762 -0.165 0.000 1.426 354 H HN 0.336 nan 8.280 nan 0.000 0.546 355 V N 2.650 122.615 119.914 0.085 0.000 2.508 355 V HA -0.026 4.095 4.120 0.002 0.000 0.281 355 V C 0.867 177.034 176.094 0.122 0.000 1.041 355 V CA 0.067 62.437 62.300 0.115 0.000 1.016 355 V CB 1.077 32.959 31.823 0.098 0.000 0.984 355 V HN 0.377 nan 8.190 nan 0.000 0.478 356 N N 3.082 121.888 118.700 0.176 0.000 2.171 356 N HA 0.029 4.770 4.740 0.002 0.000 0.184 356 N C 0.099 175.662 175.510 0.088 0.000 1.021 356 N CA 0.582 53.712 53.050 0.133 0.000 0.854 356 N CB 0.157 38.738 38.487 0.157 0.000 0.994 356 N HN 0.516 nan 8.380 nan 0.000 0.426 357 L N 0.455 121.735 121.223 0.095 0.000 2.439 357 L HA 0.397 4.738 4.340 0.002 0.000 0.270 357 L C -1.335 175.574 176.870 0.065 0.000 0.972 357 L CA -0.320 54.553 54.840 0.054 0.000 0.836 357 L CB 2.117 44.188 42.059 0.020 0.000 1.255 357 L HN -0.209 nan 8.230 nan 0.000 0.404 358 T N 6.023 120.607 114.554 0.049 0.000 2.771 358 T HA 0.587 4.939 4.350 0.002 0.000 0.281 358 T C -0.550 174.168 174.700 0.030 0.000 0.982 358 T CA -0.134 61.998 62.100 0.055 0.000 0.978 358 T CB 1.022 69.928 68.868 0.063 0.000 0.930 358 T HN 0.655 nan 8.240 nan 0.000 0.447 359 M N 5.373 124.993 119.600 0.034 0.000 2.142 359 M HA 0.572 5.053 4.480 0.002 0.000 0.299 359 M C -1.969 174.353 176.300 0.037 0.000 0.960 359 M CA -0.869 54.437 55.300 0.011 0.000 0.920 359 M CB 0.551 33.130 32.600 -0.033 0.000 1.541 359 M HN 0.521 nan 8.290 nan 0.000 0.429 360 L N 2.943 124.186 121.223 0.034 0.000 2.403 360 L HA 1.043 5.384 4.340 0.002 0.000 0.253 360 L C 0.050 176.943 176.870 0.038 0.000 1.045 360 L CA -0.753 54.115 54.840 0.047 0.000 0.845 360 L CB 0.434 42.529 42.059 0.060 0.000 1.447 360 L HN 0.562 nan 8.230 nan 0.000 0.411 361 G N -0.825 108.003 108.800 0.045 0.000 2.616 361 G HA2 0.704 4.665 3.960 0.002 0.000 0.268 361 G HA3 0.704 4.665 3.960 0.002 0.000 0.268 361 G C -0.890 174.035 174.900 0.042 0.000 1.213 361 G CA 0.029 45.151 45.100 0.038 0.000 0.926 361 G HN 1.162 nan 8.290 nan 0.000 0.523 362 A N -0.219 122.619 122.820 0.031 0.000 2.594 362 A HA 0.613 4.934 4.320 0.002 0.000 0.295 362 A C 0.494 178.089 177.584 0.019 0.000 1.071 362 A CA -0.594 51.462 52.037 0.031 0.000 0.685 362 A CB 1.303 20.314 19.000 0.018 0.000 1.285 362 A HN 0.562 nan 8.150 nan 0.000 0.405 363 M N -0.239 119.372 119.600 0.019 0.000 2.429 363 M HA 0.146 4.627 4.480 0.002 0.000 0.265 363 M C 0.296 176.591 176.300 -0.008 0.000 1.120 363 M CA 1.252 56.554 55.300 0.003 0.000 1.173 363 M CB 0.210 32.809 32.600 -0.003 0.000 1.343 363 M HN 0.709 nan 8.290 nan 0.000 0.464 364 Q N 0.312 120.108 119.800 -0.007 0.000 2.315 364 Q HA 0.561 4.902 4.340 0.002 0.000 0.273 364 Q C -1.572 174.413 176.000 -0.025 0.000 1.053 364 Q CA -0.553 55.238 55.803 -0.021 0.000 0.817 364 Q CB 3.663 32.391 28.738 -0.017 0.000 1.326 364 Q HN -0.012 nan 8.270 nan 0.000 0.423 365 V N 1.242 121.122 119.914 -0.057 0.000 2.680 365 V HA 0.569 4.690 4.120 0.002 0.000 0.309 365 V C -0.054 175.983 176.094 -0.095 0.000 1.052 365 V CA -0.633 61.628 62.300 -0.065 0.000 0.908 365 V CB 1.856 33.628 31.823 -0.086 0.000 1.001 365 V HN 0.909 nan 8.190 nan 0.000 0.431 366 S N 2.973 118.628 115.700 -0.075 0.000 2.730 366 S HA 0.400 4.871 4.470 0.002 0.000 0.284 366 S C 1.047 175.550 174.600 -0.162 0.000 1.153 366 S CA -0.285 57.855 58.200 -0.100 0.000 0.995 366 S CB 1.394 64.569 63.200 -0.041 0.000 1.058 366 S HN 0.735 nan 8.310 nan 0.000 0.552 367 K N -0.385 119.862 120.400 -0.254 0.000 2.113 367 K HA -0.151 4.170 4.320 0.002 0.000 0.208 367 K C 0.568 176.911 176.600 -0.427 0.000 1.047 367 K CA 1.763 57.791 56.287 -0.432 0.000 0.928 367 K CB -0.333 31.770 32.500 -0.662 0.000 0.716 367 K HN 0.776 nan 8.250 nan 0.000 0.446 368 Y N -1.069 119.211 120.300 -0.034 0.000 2.485 368 Y HA 0.273 4.824 4.550 0.002 0.000 0.260 368 Y C 1.085 176.979 175.900 -0.011 0.000 1.173 368 Y CA 0.096 58.187 58.100 -0.015 0.000 1.252 368 Y CB 1.218 39.675 38.460 -0.005 0.000 1.123 368 Y HN 0.291 nan 8.280 nan 0.000 0.524 369 G N -0.221 108.623 108.800 0.074 0.000 2.148 369 G HA2 -0.226 3.735 3.960 0.002 0.000 0.203 369 G HA3 -0.226 3.735 3.960 0.002 0.000 0.203 369 G C -0.488 174.441 174.900 0.050 0.000 0.993 369 G CA -0.341 44.788 45.100 0.048 0.000 0.661 369 G HN 0.207 nan 8.290 nan 0.000 0.518 370 D N -0.142 120.290 120.400 0.054 0.000 2.423 370 D HA 0.474 5.115 4.640 0.002 0.000 0.238 370 D C 0.360 176.679 176.300 0.033 0.000 1.142 370 D CA 0.276 54.304 54.000 0.047 0.000 0.884 370 D CB 1.686 42.512 40.800 0.043 0.000 1.199 370 D HN 0.378 nan 8.370 nan 0.000 0.438 371 L N 0.813 122.066 121.223 0.049 0.000 2.386 371 L HA 0.661 5.002 4.340 0.002 0.000 0.271 371 L C -1.417 175.506 176.870 0.088 0.000 0.993 371 L CA -0.715 54.159 54.840 0.056 0.000 0.819 371 L CB 1.901 43.998 42.059 0.064 0.000 1.294 371 L HN 0.398 nan 8.230 nan 0.000 0.414 372 A N 3.585 126.451 122.820 0.077 0.000 2.340 372 A HA 0.698 5.019 4.320 0.002 0.000 0.297 372 A C -0.562 177.079 177.584 0.094 0.000 1.195 372 A CA -0.253 51.842 52.037 0.096 0.000 0.769 372 A CB 0.369 19.386 19.000 0.028 0.000 1.163 372 A HN 0.827 nan 8.150 nan 0.000 0.472 373 N N 1.159 119.965 118.700 0.178 0.000 2.361 373 N HA -0.007 4.734 4.740 0.002 0.000 0.253 373 N C 0.073 175.731 175.510 0.246 0.000 1.413 373 N CA 0.082 53.226 53.050 0.156 0.000 0.821 373 N CB -0.196 38.371 38.487 0.134 0.000 1.380 373 N HN 0.829 nan 8.380 nan 0.000 0.493 374 W N -0.342 120.983 121.300 0.042 0.000 2.520 374 W HA 0.552 5.213 4.660 0.002 0.000 0.272 374 W C -0.945 175.606 176.519 0.054 0.000 0.984 374 W CA -0.290 57.090 57.345 0.058 0.000 1.314 374 W CB 0.412 29.909 29.460 0.061 0.000 0.945 374 W HN -0.045 nan 8.180 nan 0.000 0.596 375 M N 1.966 121.160 119.600 -0.677 0.000 2.322 375 M HA 0.462 4.943 4.480 0.002 0.000 0.286 375 M C -2.233 173.816 176.300 -0.419 0.000 1.111 375 M CA -0.487 54.367 55.300 -0.743 0.000 0.941 375 M CB 2.488 34.174 32.600 -1.524 0.000 1.671 375 M HN -0.085 nan 8.290 nan 0.000 0.470 376 I N 6.406 126.823 120.570 -0.255 0.000 2.437 376 I HA 0.372 4.543 4.170 0.002 0.000 0.279 376 I C -2.263 173.767 176.117 -0.144 0.000 1.028 376 I CA -1.866 59.334 61.300 -0.168 0.000 1.142 376 I CB 1.594 39.531 38.000 -0.105 0.000 1.266 376 I HN 0.392 nan 8.210 nan 0.000 0.461 377 P HA 0.034 nan 4.420 nan 0.000 0.261 377 P C 0.881 178.133 177.300 -0.080 0.000 1.183 377 P CA 0.647 63.688 63.100 -0.099 0.000 0.761 377 P CB 0.529 32.181 31.700 -0.080 0.000 0.785 378 G N 2.132 110.885 108.800 -0.079 0.000 2.221 378 G HA2 -0.303 3.658 3.960 0.002 0.000 0.265 378 G HA3 -0.303 3.658 3.960 0.002 0.000 0.265 378 G C 0.543 175.385 174.900 -0.097 0.000 1.041 378 G CA 0.837 45.873 45.100 -0.107 0.000 0.807 378 G HN 0.668 nan 8.290 nan 0.000 0.502 379 K N -2.224 118.125 120.400 -0.085 0.000 3.164 379 K HA 0.278 4.599 4.320 0.002 0.000 0.214 379 K C -0.276 176.288 176.600 -0.061 0.000 1.957 379 K CA -0.139 56.105 56.287 -0.071 0.000 1.446 379 K CB 0.080 32.541 32.500 -0.064 0.000 2.272 379 K HN 0.437 nan 8.250 nan 0.000 0.592 380 L N 2.748 123.930 121.223 -0.068 0.000 2.324 380 L HA 0.441 4.782 4.340 0.002 0.000 0.274 380 L C -1.407 175.425 176.870 -0.063 0.000 1.012 380 L CA -0.286 54.522 54.840 -0.054 0.000 0.859 380 L CB 1.664 43.693 42.059 -0.050 0.000 1.224 380 L HN 0.005 nan 8.230 nan 0.000 0.429 381 V N 5.359 125.265 119.914 -0.014 0.000 2.562 381 V HA 0.291 4.412 4.120 0.002 0.000 0.274 381 V C 0.860 176.987 176.094 0.055 0.000 1.075 381 V CA -0.473 61.859 62.300 0.054 0.000 1.204 381 V CB 0.240 32.153 31.823 0.151 0.000 1.478 381 V HN 0.605 nan 8.190 nan 0.000 0.622 382 K N 1.744 122.152 120.400 0.014 0.000 2.444 382 K HA 0.400 4.721 4.320 0.002 0.000 0.193 382 K C 1.094 177.659 176.600 -0.058 0.000 1.024 382 K CA 0.754 56.960 56.287 -0.135 0.000 1.077 382 K CB 0.799 33.198 32.500 -0.170 0.000 0.833 382 K HN 0.814 nan 8.250 nan 0.000 0.517 383 G N 1.694 110.625 108.800 0.219 0.000 2.661 383 G HA2 -0.210 3.751 3.960 0.002 0.000 0.685 383 G HA3 -0.210 3.751 3.960 0.002 0.000 0.685 383 G C 0.360 175.532 174.900 0.453 0.000 1.298 383 G CA -0.087 45.202 45.100 0.315 0.000 0.855 383 G HN 0.055 nan 8.290 nan 0.000 0.560 384 M N 0.325 119.997 119.600 0.120 0.000 2.492 384 M HA 0.394 4.875 4.480 0.002 0.000 0.255 384 M C 1.560 177.877 176.300 0.029 0.000 1.139 384 M CA 2.037 57.306 55.300 -0.052 0.000 1.096 384 M CB -1.177 30.974 32.600 -0.749 0.000 1.360 384 M HN 2.799 nan 8.290 nan 0.000 0.480 385 G N 1.530 110.382 108.800 0.088 0.000 2.574 385 G HA2 -0.316 3.645 3.960 0.002 0.000 0.286 385 G HA3 -0.316 3.645 3.960 0.002 0.000 0.286 385 G C 0.635 175.561 174.900 0.043 0.000 1.212 385 G CA 0.411 45.565 45.100 0.089 0.000 0.979 385 G HN 0.824 nan 8.290 nan 0.000 0.557 386 G N 0.094 108.971 108.800 0.129 0.000 3.141 386 G HA2 0.541 4.502 3.960 0.002 0.000 0.218 386 G HA3 0.541 4.502 3.960 0.002 0.000 0.218 386 G C 1.688 176.663 174.900 0.124 0.000 1.170 386 G CA 1.759 46.961 45.100 0.170 0.000 0.769 386 G HN 1.691 nan 8.290 nan 0.000 0.546 387 A N 0.968 123.824 122.820 0.060 0.000 1.940 387 A HA -0.065 4.256 4.320 0.002 0.000 0.219 387 A C 2.323 179.916 177.584 0.015 0.000 1.176 387 A CA 1.513 53.582 52.037 0.052 0.000 0.631 387 A CB -0.294 18.742 19.000 0.060 0.000 0.814 387 A HN 0.409 nan 8.150 nan 0.000 0.446 388 M N -1.020 118.541 119.600 -0.065 0.000 2.254 388 M HA -0.117 4.364 4.480 0.002 0.000 0.265 388 M C 1.354 177.640 176.300 -0.023 0.000 1.066 388 M CA 1.686 56.939 55.300 -0.079 0.000 1.123 388 M CB -0.546 31.948 32.600 -0.176 0.000 1.388 388 M HN 0.395 nan 8.290 nan 0.000 0.425 389 D N 0.718 121.106 120.400 -0.021 0.000 2.183 389 D HA -0.060 4.581 4.640 0.002 0.000 0.203 389 D C 1.874 178.246 176.300 0.119 0.000 0.969 389 D CA 0.924 54.947 54.000 0.040 0.000 0.842 389 D CB -0.058 40.731 40.800 -0.018 0.000 0.957 389 D HN 0.250 nan 8.370 nan 0.000 0.484 390 L N 0.502 121.807 121.223 0.137 0.000 2.362 390 L HA -0.051 4.290 4.340 0.002 0.000 0.219 390 L C 1.718 178.640 176.870 0.087 0.000 1.134 390 L CA 0.557 55.477 54.840 0.133 0.000 0.807 390 L CB -0.029 42.109 42.059 0.133 0.000 0.927 390 L HN 0.154 nan 8.230 nan 0.000 0.447 391 V N -5.280 114.675 119.914 0.069 0.000 3.427 391 V HA 0.145 4.266 4.120 0.002 0.000 0.305 391 V C 1.882 178.004 176.094 0.047 0.000 1.412 391 V CA 0.527 62.860 62.300 0.055 0.000 1.086 391 V CB 0.264 32.118 31.823 0.052 0.000 0.964 391 V HN 0.336 nan 8.190 nan 0.000 0.439 392 S N -0.215 115.515 115.700 0.050 0.000 2.446 392 S HA 0.077 4.548 4.470 0.002 0.000 0.225 392 S C 1.267 175.883 174.600 0.026 0.000 1.016 392 S CA 0.905 59.128 58.200 0.040 0.000 0.943 392 S CB -0.254 62.979 63.200 0.055 0.000 0.786 392 S HN 0.628 nan 8.310 nan 0.000 0.508 393 S N 0.432 116.153 115.700 0.034 0.000 2.537 393 S HA 0.675 5.147 4.470 0.002 0.000 0.275 393 S C 0.998 175.606 174.600 0.013 0.000 1.272 393 S CA -0.177 58.035 58.200 0.021 0.000 1.050 393 S CB 1.148 64.355 63.200 0.013 0.000 0.961 393 S HN 0.532 nan 8.310 nan 0.000 0.496 394 A N 4.448 127.271 122.820 0.005 0.000 2.072 394 A HA 0.119 4.440 4.320 0.002 0.000 0.216 394 A C 1.955 179.542 177.584 0.006 0.000 1.156 394 A CA 0.788 52.829 52.037 0.006 0.000 0.701 394 A CB -0.292 18.710 19.000 0.002 0.000 0.816 394 A HN 0.861 nan 8.150 nan 0.000 0.458 395 K N -0.370 120.029 120.400 -0.002 0.000 2.228 395 K HA -0.010 4.311 4.320 0.002 0.000 0.202 395 K C -0.246 176.358 176.600 0.006 0.000 1.051 395 K CA 0.908 57.191 56.287 -0.006 0.000 0.960 395 K CB 0.004 32.484 32.500 -0.033 0.000 0.743 395 K HN 0.352 nan 8.250 nan 0.000 0.458 396 T N 1.789 116.350 114.554 0.011 0.000 2.771 396 T HA 0.088 4.439 4.350 0.002 0.000 0.291 396 T C -0.593 174.124 174.700 0.028 0.000 0.954 396 T CA -0.349 61.767 62.100 0.027 0.000 1.045 396 T CB 1.376 70.264 68.868 0.034 0.000 0.917 396 T HN 0.067 nan 8.240 nan 0.000 0.484 397 K N 3.665 124.082 120.400 0.028 0.000 2.378 397 K HA 0.263 4.584 4.320 0.002 0.000 0.288 397 K C -0.747 175.864 176.600 0.018 0.000 1.057 397 K CA -0.355 55.944 56.287 0.020 0.000 0.971 397 K CB 0.213 32.720 32.500 0.011 0.000 0.975 397 K HN 0.317 nan 8.250 nan 0.000 0.475 398 V N 5.690 125.617 119.914 0.020 0.000 2.364 398 V HA 0.212 4.333 4.120 0.002 0.000 0.272 398 V C -0.350 175.750 176.094 0.010 0.000 1.036 398 V CA -0.798 61.515 62.300 0.021 0.000 0.880 398 V CB 1.350 33.192 31.823 0.031 0.000 0.991 398 V HN 0.486 nan 8.190 nan 0.000 0.460 399 V N 6.112 126.025 119.914 -0.003 0.000 2.409 399 V HA 0.416 4.537 4.120 0.002 0.000 0.291 399 V C -0.026 176.062 176.094 -0.010 0.000 1.020 399 V CA -0.590 61.700 62.300 -0.016 0.000 0.848 399 V CB 1.995 33.787 31.823 -0.053 0.000 0.990 399 V HN 0.601 nan 8.190 nan 0.000 0.430 400 V N 4.442 124.355 119.914 -0.002 0.000 2.567 400 V HA 0.569 4.690 4.120 0.002 0.000 0.289 400 V C 0.463 176.552 176.094 -0.008 0.000 1.049 400 V CA -0.233 62.068 62.300 0.001 0.000 0.969 400 V CB 2.048 33.873 31.823 0.003 0.000 0.995 400 V HN 1.027 nan 8.190 nan 0.000 0.471 401 T N 3.815 118.365 114.554 -0.006 0.000 2.840 401 T HA 0.833 5.184 4.350 0.002 0.000 0.287 401 T C -0.764 173.932 174.700 -0.007 0.000 0.991 401 T CA -0.695 61.397 62.100 -0.013 0.000 0.964 401 T CB 1.237 70.094 68.868 -0.018 0.000 0.954 401 T HN 0.804 nan 8.240 nan 0.000 0.438 402 M N 0.307 119.900 119.600 -0.012 0.000 2.732 402 M HA 0.605 5.086 4.480 0.002 0.000 0.272 402 M C -1.351 174.946 176.300 -0.005 0.000 1.203 402 M CA -1.002 54.293 55.300 -0.008 0.000 0.841 402 M CB 1.559 34.152 32.600 -0.012 0.000 1.685 402 M HN 0.366 nan 8.290 nan 0.000 0.492 403 E N 0.815 121.017 120.200 0.003 0.000 2.413 403 E HA -0.010 4.341 4.350 0.002 0.000 0.263 403 E C 0.049 176.680 176.600 0.052 0.000 1.015 403 E CA 0.411 56.826 56.400 0.025 0.000 0.916 403 E CB 0.820 30.533 29.700 0.022 0.000 0.947 403 E HN 0.761 nan 8.360 nan 0.000 0.440 404 H N 1.300 120.374 119.070 0.007 0.000 2.326 404 H HA -0.016 4.541 4.556 0.002 0.000 0.301 404 H C 0.090 175.448 175.328 0.050 0.000 1.081 404 H CA 1.367 57.438 56.048 0.037 0.000 1.334 404 H CB 0.514 30.304 29.762 0.046 0.000 1.385 404 H HN 0.176 nan 8.280 nan 0.000 0.504 405 S N -1.222 114.600 115.700 0.203 0.000 2.638 405 S HA 0.721 5.192 4.470 0.002 0.000 0.302 405 S C -0.635 174.005 174.600 0.068 0.000 1.096 405 S CA -0.506 57.781 58.200 0.145 0.000 0.953 405 S CB 2.018 65.316 63.200 0.163 0.000 1.107 405 S HN 0.550 nan 8.310 nan 0.000 0.503 406 A N 1.153 123.998 122.820 0.042 0.000 2.420 406 A HA 0.644 4.965 4.320 0.002 0.000 0.291 406 A C -0.519 177.067 177.584 0.004 0.000 1.228 406 A CA -0.681 51.366 52.037 0.016 0.000 0.933 406 A CB 0.125 19.128 19.000 0.006 0.000 1.428 406 A HN 0.737 nan 8.150 nan 0.000 0.493 407 K N -0.217 120.180 120.400 -0.004 0.000 2.484 407 K HA 0.335 4.656 4.320 0.002 0.000 0.280 407 K C 0.860 177.448 176.600 -0.019 0.000 1.013 407 K CA 1.229 57.510 56.287 -0.009 0.000 1.029 407 K CB -0.008 32.485 32.500 -0.011 0.000 0.902 407 K HN 1.472 nan 8.250 nan 0.000 0.481 408 G N 2.970 111.760 108.800 -0.018 0.000 2.176 408 G HA2 -0.352 3.609 3.960 0.002 0.000 0.252 408 G HA3 -0.352 3.609 3.960 0.002 0.000 0.252 408 G C 0.206 175.083 174.900 -0.038 0.000 1.024 408 G CA 0.343 45.427 45.100 -0.026 0.000 0.755 408 G HN 0.904 nan 8.290 nan 0.000 0.507 409 N N -1.931 116.754 118.700 -0.025 0.000 2.710 409 N HA -0.091 4.650 4.740 0.002 0.000 0.249 409 N C 0.784 176.241 175.510 -0.088 0.000 1.059 409 N CA 1.881 54.916 53.050 -0.026 0.000 0.720 409 N CB -1.007 37.468 38.487 -0.019 0.000 0.983 409 N HN 1.895 nan 8.380 nan 0.000 0.544 410 A N 0.315 123.086 122.820 -0.081 0.000 2.371 410 A HA 0.343 4.664 4.320 0.002 0.000 0.257 410 A C 0.074 177.619 177.584 -0.065 0.000 1.089 410 A CA -0.214 51.745 52.037 -0.131 0.000 0.794 410 A CB 0.244 19.204 19.000 -0.067 0.000 1.029 410 A HN 0.457 nan 8.150 nan 0.000 0.488 411 H N 1.088 120.167 119.070 0.015 0.000 2.764 411 H HA 0.155 4.712 4.556 0.002 0.000 0.341 411 H C 0.542 175.859 175.328 -0.020 0.000 1.072 411 H CA 0.391 56.444 56.048 0.009 0.000 1.444 411 H CB 1.127 30.890 29.762 0.002 0.000 1.458 411 H HN 0.740 nan 8.280 nan 0.000 0.572 412 K N 2.267 122.724 120.400 0.095 0.000 2.350 412 K HA 0.266 4.587 4.320 0.002 0.000 0.196 412 K C 0.390 176.947 176.600 -0.072 0.000 1.084 412 K CA 0.325 56.611 56.287 -0.002 0.000 0.967 412 K CB 0.860 33.345 32.500 -0.026 0.000 0.950 412 K HN 0.388 nan 8.250 nan 0.000 0.512 413 I N 3.771 124.255 120.570 -0.143 0.000 2.325 413 I HA 0.252 4.423 4.170 0.002 0.000 0.291 413 I C -0.047 175.940 176.117 -0.216 0.000 1.019 413 I CA -0.337 60.822 61.300 -0.236 0.000 1.302 413 I CB 0.812 38.568 38.000 -0.407 0.000 1.401 413 I HN 0.123 nan 8.210 nan 0.000 0.485 414 M N 3.072 122.561 119.600 -0.185 0.000 2.813 414 M HA 0.479 4.960 4.480 0.002 0.000 0.270 414 M C -0.235 175.978 176.300 -0.144 0.000 1.267 414 M CA -0.814 54.394 55.300 -0.153 0.000 0.822 414 M CB 1.935 34.498 32.600 -0.061 0.000 1.671 414 M HN 0.189 nan 8.290 nan 0.000 0.468 415 E N 1.278 121.410 120.200 -0.112 0.000 2.031 415 E HA 0.049 4.400 4.350 0.002 0.000 0.193 415 E C -0.150 176.410 176.600 -0.068 0.000 0.994 415 E CA 1.463 57.801 56.400 -0.103 0.000 0.800 415 E CB 0.189 29.853 29.700 -0.059 0.000 0.752 415 E HN 0.379 nan 8.360 nan 0.000 0.447 416 K N 0.039 120.418 120.400 -0.036 0.000 2.468 416 K HA 0.279 4.600 4.320 0.002 0.000 0.252 416 K C -0.703 175.888 176.600 -0.015 0.000 0.932 416 K CA -0.566 55.713 56.287 -0.014 0.000 0.794 416 K CB 2.215 34.716 32.500 0.002 0.000 1.241 416 K HN 0.025 nan 8.250 nan 0.000 0.428 417 C N 1.749 121.042 119.300 -0.011 0.000 2.657 417 C HA 0.069 4.530 4.460 0.002 0.000 0.420 417 C C 2.147 177.131 174.990 -0.010 0.000 1.323 417 C CA -0.003 59.009 59.018 -0.010 0.000 1.894 417 C CB -0.194 27.544 27.740 -0.003 0.000 2.681 417 C HN 0.890 nan 8.230 nan 0.000 0.613 418 T N -0.106 114.440 114.554 -0.014 0.000 3.015 418 T HA 0.193 4.544 4.350 0.002 0.000 0.250 418 T C 0.445 175.125 174.700 -0.032 0.000 1.057 418 T CA 0.187 62.276 62.100 -0.018 0.000 1.066 418 T CB -0.066 68.793 68.868 -0.015 0.000 0.959 418 T HN 0.523 nan 8.240 nan 0.000 0.488 419 L N 1.835 123.034 121.223 -0.040 0.000 2.439 419 L HA 0.440 4.781 4.340 0.002 0.000 0.261 419 L C -2.292 174.538 176.870 -0.066 0.000 1.153 419 L CA -2.649 52.148 54.840 -0.072 0.000 0.808 419 L CB 0.204 42.213 42.059 -0.084 0.000 1.126 419 L HN -0.068 nan 8.230 nan 0.000 0.460 420 P HA 0.051 nan 4.420 nan 0.000 0.265 420 P C -0.728 176.614 177.300 0.071 0.000 1.193 420 P CA 0.132 63.193 63.100 -0.064 0.000 0.765 420 P CB 0.340 31.892 31.700 -0.246 0.000 0.823 421 L N 2.588 123.919 121.223 0.180 0.000 2.371 421 L HA 0.132 4.473 4.340 0.002 0.000 0.272 421 L C 1.546 178.640 176.870 0.375 0.000 1.124 421 L CA 0.067 55.032 54.840 0.207 0.000 0.816 421 L CB 0.449 42.568 42.059 0.100 0.000 1.129 421 L HN 0.430 nan 8.230 nan 0.000 0.448 422 T N 0.592 115.327 114.554 0.301 0.000 3.009 422 T HA 0.166 4.517 4.350 0.002 0.000 0.258 422 T C 0.594 175.334 174.700 0.067 0.000 1.063 422 T CA 0.652 62.861 62.100 0.181 0.000 1.139 422 T CB 0.313 69.293 68.868 0.186 0.000 0.890 422 T HN 0.811 nan 8.240 nan 0.000 0.471 423 G N 0.254 109.102 108.800 0.079 0.000 2.601 423 G HA2 0.549 4.510 3.960 0.002 0.000 0.291 423 G HA3 0.549 4.510 3.960 0.002 0.000 0.291 423 G C -1.983 172.951 174.900 0.056 0.000 1.456 423 G CA -0.911 44.223 45.100 0.057 0.000 0.804 423 G HN 0.005 nan 8.290 nan 0.000 0.499 424 K N 1.001 121.439 120.400 0.062 0.000 2.213 424 K HA 0.392 4.713 4.320 0.002 0.000 0.270 424 K C -0.168 176.479 176.600 0.079 0.000 1.002 424 K CA -0.430 55.895 56.287 0.063 0.000 0.868 424 K CB 1.314 33.847 32.500 0.054 0.000 1.093 424 K HN 0.657 nan 8.250 nan 0.000 0.454 425 Q N 0.604 120.451 119.800 0.078 0.000 2.454 425 Q HA -0.227 4.114 4.340 0.002 0.000 0.341 425 Q C 0.336 176.373 176.000 0.062 0.000 1.437 425 Q CA 0.531 56.382 55.803 0.080 0.000 0.935 425 Q CB -1.900 26.883 28.738 0.074 0.000 1.164 425 Q HN 0.935 nan 8.270 nan 0.000 0.373 426 C N -4.411 114.923 119.300 0.056 0.000 3.757 426 C HA 0.461 4.922 4.460 0.002 0.000 0.358 426 C C 0.798 175.812 174.990 0.041 0.000 1.484 426 C CA -0.283 58.763 59.018 0.047 0.000 1.862 426 C CB 0.061 27.831 27.740 0.049 0.000 2.654 426 C HN 0.301 nan 8.230 nan 0.000 0.699 427 V N 3.514 123.452 119.914 0.039 0.000 2.465 427 V HA 0.299 4.420 4.120 0.002 0.000 0.279 427 V C 0.324 176.437 176.094 0.033 0.000 1.045 427 V CA 0.482 62.801 62.300 0.031 0.000 0.938 427 V CB 1.194 33.029 31.823 0.020 0.000 0.986 427 V HN 0.449 nan 8.190 nan 0.000 0.467 428 N N 2.597 121.315 118.700 0.029 0.000 2.368 428 N HA 0.208 4.949 4.740 0.002 0.000 0.178 428 N C 0.459 175.989 175.510 0.034 0.000 1.076 428 N CA -0.020 53.049 53.050 0.031 0.000 0.889 428 N CB 0.528 39.030 38.487 0.025 0.000 1.040 428 N HN 0.626 nan 8.380 nan 0.000 0.463 429 R N 0.538 121.055 120.500 0.028 0.000 2.604 429 R HA 0.448 4.790 4.340 0.002 0.000 0.270 429 R C -2.072 174.250 176.300 0.035 0.000 1.052 429 R CA -0.467 55.654 56.100 0.036 0.000 0.902 429 R CB 1.180 31.488 30.300 0.012 0.000 1.233 429 R HN -0.080 nan 8.270 nan 0.000 0.455 430 I N 5.581 126.196 120.570 0.075 0.000 2.410 430 I HA 0.388 4.559 4.170 0.002 0.000 0.286 430 I C -0.352 175.810 176.117 0.076 0.000 1.009 430 I CA -0.701 60.644 61.300 0.075 0.000 1.111 430 I CB 1.901 39.961 38.000 0.101 0.000 1.262 430 I HN 0.433 nan 8.210 nan 0.000 0.443 431 I N 5.928 126.510 120.570 0.020 0.000 2.339 431 I HA 0.364 4.535 4.170 0.002 0.000 0.290 431 I C 0.486 176.602 176.117 -0.002 0.000 0.994 431 I CA -0.164 61.131 61.300 -0.009 0.000 1.191 431 I CB 1.780 39.754 38.000 -0.043 0.000 1.343 431 I HN 0.639 nan 8.210 nan 0.000 0.458 432 T N 1.400 115.964 114.554 0.016 0.000 2.807 432 T HA 0.260 4.612 4.350 0.002 0.000 0.277 432 T C 0.869 175.552 174.700 -0.029 0.000 1.006 432 T CA -0.624 61.496 62.100 0.034 0.000 1.006 432 T CB 1.776 70.745 68.868 0.168 0.000 1.274 432 T HN 0.624 nan 8.240 nan 0.000 0.569 433 E N 0.482 120.647 120.200 -0.057 0.000 2.358 433 E HA -0.033 4.318 4.350 0.002 0.000 0.195 433 E C 1.204 177.665 176.600 -0.232 0.000 1.010 433 E CA 0.876 57.151 56.400 -0.209 0.000 0.856 433 E CB -0.093 29.472 29.700 -0.225 0.000 0.795 433 E HN 0.757 nan 8.360 nan 0.000 0.504 434 K N 0.119 120.483 120.400 -0.059 0.000 2.244 434 K HA 0.339 4.660 4.320 0.002 0.000 0.200 434 K C 0.786 177.391 176.600 0.009 0.000 1.052 434 K CA 0.787 57.060 56.287 -0.025 0.000 0.980 434 K CB 0.757 33.156 32.500 -0.169 0.000 0.838 434 K HN 0.144 nan 8.250 nan 0.000 0.481 435 A N 0.601 123.409 122.820 -0.020 0.000 2.593 435 A HA 0.618 4.939 4.320 0.002 0.000 0.290 435 A C -1.474 175.969 177.584 -0.234 0.000 1.126 435 A CA -0.642 51.274 52.037 -0.201 0.000 0.695 435 A CB 1.759 20.478 19.000 -0.467 0.000 1.290 435 A HN -0.102 nan 8.150 nan 0.000 0.414 436 V N 0.660 120.357 119.914 -0.360 0.000 2.487 436 V HA 0.601 4.722 4.120 0.002 0.000 0.298 436 V C -1.394 174.450 176.094 -0.417 0.000 1.028 436 V CA -0.226 61.917 62.300 -0.261 0.000 0.860 436 V CB 1.079 32.825 31.823 -0.129 0.000 0.991 436 V HN 0.660 nan 8.190 nan 0.000 0.427 437 F N 1.798 121.710 119.950 -0.063 0.000 2.495 437 F HA 0.537 5.065 4.527 0.002 0.000 0.327 437 F C 0.347 176.121 175.800 -0.042 0.000 1.103 437 F CA -0.777 57.181 58.000 -0.071 0.000 0.949 437 F CB 1.560 40.495 39.000 -0.108 0.000 1.142 437 F HN 0.401 nan 8.300 nan 0.000 0.457 438 D N 2.212 122.713 120.400 0.169 0.000 2.256 438 D HA 0.427 5.069 4.640 0.002 0.000 0.250 438 D C -0.605 175.766 176.300 0.119 0.000 1.093 438 D CA 0.058 54.124 54.000 0.112 0.000 0.882 438 D CB 1.936 42.783 40.800 0.079 0.000 1.185 438 D HN 0.088 nan 8.370 nan 0.000 0.437 439 V N 2.170 122.132 119.914 0.080 0.000 2.495 439 V HA 0.324 4.445 4.120 0.002 0.000 0.298 439 V C -0.204 175.934 176.094 0.075 0.000 1.031 439 V CA -0.777 61.559 62.300 0.061 0.000 0.871 439 V CB 2.016 33.859 31.823 0.034 0.000 0.988 439 V HN 0.436 nan 8.190 nan 0.000 0.432 440 D N 1.900 122.360 120.400 0.100 0.000 2.481 440 D HA 0.417 5.058 4.640 0.002 0.000 0.244 440 D C 1.172 177.575 176.300 0.172 0.000 1.057 440 D CA -0.757 53.310 54.000 0.112 0.000 0.848 440 D CB 1.746 42.609 40.800 0.105 0.000 1.388 440 D HN 0.539 nan 8.370 nan 0.000 0.475 441 R N 2.210 122.779 120.500 0.114 0.000 2.189 441 R HA 0.000 4.342 4.340 0.002 0.000 0.223 441 R C 0.692 176.973 176.300 -0.032 0.000 1.092 441 R CA 1.045 57.196 56.100 0.084 0.000 0.989 441 R CB 0.112 30.428 30.300 0.027 0.000 0.876 441 R HN 0.260 nan 8.270 nan 0.000 0.457 442 K N 0.240 120.644 120.400 0.007 0.000 2.306 442 K HA 0.162 4.483 4.320 0.002 0.000 0.200 442 K C 1.709 178.361 176.600 0.087 0.000 1.083 442 K CA 0.431 56.678 56.287 -0.068 0.000 0.959 442 K CB 0.479 32.961 32.500 -0.031 0.000 0.994 442 K HN 0.036 nan 8.250 nan 0.000 0.492 443 K N 0.132 120.638 120.400 0.177 0.000 2.352 443 K HA 0.155 4.476 4.320 0.002 0.000 0.194 443 K C 0.732 177.478 176.600 0.244 0.000 1.038 443 K CA 0.580 56.985 56.287 0.197 0.000 1.023 443 K CB 1.113 33.682 32.500 0.116 0.000 0.840 443 K HN 0.295 nan 8.250 nan 0.000 0.519 444 G N 1.672 110.640 108.800 0.279 0.000 2.481 444 G HA2 -0.245 3.716 3.960 0.002 0.000 0.230 444 G HA3 -0.245 3.716 3.960 0.002 0.000 0.230 444 G C -0.697 174.224 174.900 0.036 0.000 1.210 444 G CA -0.767 44.368 45.100 0.058 0.000 0.936 444 G HN 0.062 nan 8.290 nan 0.000 0.583 445 L N 0.761 121.975 121.223 -0.015 0.000 2.375 445 L HA 0.644 4.985 4.340 0.002 0.000 0.271 445 L C 0.230 177.219 176.870 0.199 0.000 1.107 445 L CA -0.358 54.504 54.840 0.037 0.000 0.806 445 L CB 1.625 43.588 42.059 -0.160 0.000 1.146 445 L HN 0.623 nan 8.230 nan 0.000 0.447 446 T N 3.294 118.008 114.554 0.266 0.000 2.965 446 T HA 0.266 4.617 4.350 0.002 0.000 0.306 446 T C -0.555 174.299 174.700 0.258 0.000 0.991 446 T CA -0.456 61.804 62.100 0.266 0.000 1.001 446 T CB 1.398 70.362 68.868 0.158 0.000 0.984 446 T HN 0.243 nan 8.240 nan 0.000 0.446 447 L N 5.953 127.309 121.223 0.221 0.000 2.456 447 L HA 0.375 4.716 4.340 0.002 0.000 0.277 447 L C 0.932 177.759 176.870 -0.073 0.000 1.124 447 L CA 0.263 55.025 54.840 -0.130 0.000 0.880 447 L CB -0.305 41.666 42.059 -0.147 0.000 1.192 447 L HN 0.779 nan 8.230 nan 0.000 0.463 448 I N 0.182 120.677 120.570 -0.126 0.000 3.939 448 I HA 0.400 4.571 4.170 0.002 0.000 0.313 448 I C 0.012 176.081 176.117 -0.079 0.000 1.274 448 I CA -0.043 61.219 61.300 -0.062 0.000 1.301 448 I CB 0.182 38.164 38.000 -0.029 0.000 1.105 448 I HN 0.480 nan 8.210 nan 0.000 0.427 449 E N 1.791 121.910 120.200 -0.135 0.000 2.314 449 E HA 0.604 4.955 4.350 0.002 0.000 0.272 449 E C -1.823 174.704 176.600 -0.121 0.000 0.884 449 E CA -0.874 55.469 56.400 -0.096 0.000 0.753 449 E CB 3.347 33.011 29.700 -0.061 0.000 1.213 449 E HN 0.047 nan 8.360 nan 0.000 0.432 450 L N 2.538 123.727 121.223 -0.056 0.000 2.409 450 L HA 0.377 4.718 4.340 0.002 0.000 0.272 450 L C -1.135 175.765 176.870 0.051 0.000 0.980 450 L CA -0.463 54.358 54.840 -0.032 0.000 0.826 450 L CB 1.345 43.377 42.059 -0.045 0.000 1.268 450 L HN 0.695 nan 8.230 nan 0.000 0.407 451 W N 5.756 126.999 121.300 -0.094 0.000 2.210 451 W HA 0.186 4.847 4.660 0.002 0.000 0.330 451 W C 0.070 176.557 176.519 -0.053 0.000 1.334 451 W CA -0.278 57.025 57.345 -0.069 0.000 1.227 451 W CB 0.793 30.214 29.460 -0.066 0.000 1.178 451 W HN 0.831 nan 8.180 nan 0.000 0.560 452 E N 3.349 122.945 120.200 -1.006 0.000 2.442 452 E HA 0.285 4.636 4.350 0.002 0.000 0.262 452 E C 0.956 177.157 176.600 -0.665 0.000 1.004 452 E CA 0.587 56.501 56.400 -0.809 0.000 0.928 452 E CB 0.545 29.722 29.700 -0.871 0.000 0.937 452 E HN 0.744 nan 8.360 nan 0.000 0.446 453 G N 2.551 111.160 108.800 -0.319 0.000 2.253 453 G HA2 -0.279 3.682 3.960 0.002 0.000 0.251 453 G HA3 -0.279 3.682 3.960 0.002 0.000 0.251 453 G C 0.139 174.997 174.900 -0.070 0.000 0.998 453 G CA 0.251 45.253 45.100 -0.163 0.000 0.621 453 G HN 0.441 nan 8.290 nan 0.000 0.524 454 L N 1.268 122.457 121.223 -0.056 0.000 2.387 454 L HA 0.759 5.100 4.340 0.002 0.000 0.266 454 L C 0.996 177.861 176.870 -0.008 0.000 1.059 454 L CA -0.248 54.596 54.840 0.007 0.000 0.801 454 L CB 1.787 43.885 42.059 0.064 0.000 1.223 454 L HN 0.397 nan 8.230 nan 0.000 0.456 455 T N -2.841 111.721 114.554 0.012 0.000 2.926 455 T HA 0.353 4.704 4.350 0.002 0.000 0.289 455 T C 0.850 175.582 174.700 0.054 0.000 1.054 455 T CA -0.788 61.325 62.100 0.021 0.000 1.015 455 T CB 1.685 70.565 68.868 0.020 0.000 1.167 455 T HN 0.159 nan 8.240 nan 0.000 0.526 456 V N 1.088 121.048 119.914 0.077 0.000 2.490 456 V HA -0.134 3.987 4.120 0.002 0.000 0.250 456 V C 2.291 178.491 176.094 0.176 0.000 1.061 456 V CA 1.967 64.361 62.300 0.156 0.000 1.064 456 V CB -0.768 31.145 31.823 0.150 0.000 0.670 456 V HN 0.868 nan 8.190 nan 0.000 0.461 457 D N 0.041 120.501 120.400 0.100 0.000 2.144 457 D HA -0.142 4.499 4.640 0.002 0.000 0.200 457 D C 1.860 178.218 176.300 0.096 0.000 0.978 457 D CA 1.297 55.348 54.000 0.086 0.000 0.833 457 D CB -0.214 40.616 40.800 0.048 0.000 0.961 457 D HN 0.433 nan 8.370 nan 0.000 0.470 458 D N 0.637 121.082 120.400 0.075 0.000 2.149 458 D HA -0.120 4.521 4.640 0.002 0.000 0.198 458 D C 2.120 178.455 176.300 0.059 0.000 0.990 458 D CA 0.423 54.455 54.000 0.054 0.000 0.839 458 D CB -0.088 40.729 40.800 0.028 0.000 0.948 458 D HN 0.216 nan 8.370 nan 0.000 0.460 459 I N 0.920 121.546 120.570 0.093 0.000 2.353 459 I HA -0.142 4.029 4.170 0.002 0.000 0.248 459 I C 2.110 178.414 176.117 0.311 0.000 1.119 459 I CA 0.864 62.231 61.300 0.112 0.000 1.417 459 I CB -0.747 37.313 38.000 0.101 0.000 1.078 459 I HN 0.008 nan 8.210 nan 0.000 0.421 460 K N 1.376 122.008 120.400 0.387 0.000 2.057 460 K HA -0.176 4.145 4.320 0.002 0.000 0.207 460 K C 1.810 178.548 176.600 0.231 0.000 1.049 460 K CA 1.462 57.962 56.287 0.356 0.000 0.931 460 K CB -0.105 32.489 32.500 0.156 0.000 0.714 460 K HN 0.431 nan 8.250 nan 0.000 0.440 461 K N -0.417 120.094 120.400 0.184 0.000 2.444 461 K HA 0.120 4.441 4.320 0.002 0.000 0.193 461 K C 0.855 177.608 176.600 0.255 0.000 1.024 461 K CA 0.663 57.061 56.287 0.184 0.000 1.077 461 K CB 0.640 33.209 32.500 0.117 0.000 0.833 461 K HN -0.174 nan 8.250 nan 0.000 0.517 462 S N 0.522 116.375 115.700 0.255 0.000 2.554 462 S HA 0.104 4.575 4.470 0.002 0.000 0.226 462 S C -0.402 174.467 174.600 0.448 0.000 0.980 462 S CA -0.347 58.052 58.200 0.331 0.000 0.939 462 S CB 0.835 64.102 63.200 0.111 0.000 0.832 462 S HN 0.268 nan 8.310 nan 0.000 0.486 463 T N 0.599 115.278 114.554 0.209 0.000 2.841 463 T HA 0.436 4.787 4.350 0.002 0.000 0.285 463 T C 1.025 175.358 174.700 -0.612 0.000 0.991 463 T CA -0.624 61.420 62.100 -0.094 0.000 0.966 463 T CB 1.702 70.650 68.868 0.133 0.000 0.962 463 T HN 0.156 nan 8.240 nan 0.000 0.438 464 G N 0.944 109.167 108.800 -0.962 0.000 2.920 464 G HA2 0.253 4.214 3.960 0.002 0.000 0.208 464 G HA3 0.253 4.214 3.960 0.002 0.000 0.208 464 G C 0.634 175.365 174.900 -0.283 0.000 1.159 464 G CA 0.090 44.704 45.100 -0.811 0.000 0.784 464 G HN 0.954 nan 8.290 nan 0.000 0.535 465 C N -0.380 118.796 119.300 -0.207 0.000 3.171 465 C HA 0.724 5.185 4.460 0.002 0.000 0.308 465 C C -0.440 174.533 174.990 -0.027 0.000 1.334 465 C CA -1.414 57.532 59.018 -0.121 0.000 1.473 465 C CB 1.594 29.235 27.740 -0.165 0.000 1.866 465 C HN 0.310 nan 8.230 nan 0.000 0.465 466 D N 0.325 120.693 120.400 -0.053 0.000 2.377 466 D HA 0.677 5.318 4.640 0.002 0.000 0.245 466 D C -0.473 175.842 176.300 0.024 0.000 1.196 466 D CA -0.113 53.830 54.000 -0.094 0.000 0.962 466 D CB 0.315 41.028 40.800 -0.146 0.000 1.127 466 D HN 0.886 nan 8.370 nan 0.000 0.471 467 F N -3.802 116.132 119.950 -0.026 0.000 2.665 467 F HA 0.698 5.226 4.527 0.002 0.000 0.308 467 F C -0.830 175.001 175.800 0.052 0.000 1.112 467 F CA -1.692 56.313 58.000 0.008 0.000 0.972 467 F CB 0.771 39.811 39.000 0.067 0.000 1.295 467 F HN 0.522 nan 8.300 nan 0.000 0.440 468 A N 1.589 124.553 122.820 0.240 0.000 2.386 468 A HA 0.682 5.003 4.320 0.002 0.000 0.248 468 A C -0.680 177.089 177.584 0.308 0.000 1.082 468 A CA -0.537 51.605 52.037 0.175 0.000 0.789 468 A CB 0.629 19.706 19.000 0.129 0.000 1.025 468 A HN 0.827 nan 8.150 nan 0.000 0.490 469 V N 1.493 121.525 119.914 0.197 0.000 2.483 469 V HA 0.413 4.534 4.120 0.002 0.000 0.295 469 V C 0.743 176.905 176.094 0.113 0.000 1.035 469 V CA -0.517 61.900 62.300 0.194 0.000 0.896 469 V CB 1.529 33.444 31.823 0.154 0.000 0.986 469 V HN 0.957 nan 8.190 nan 0.000 0.447 470 S N 5.636 121.391 115.700 0.091 0.000 2.549 470 S HA 0.249 4.720 4.470 0.002 0.000 0.279 470 S C -0.886 173.738 174.600 0.041 0.000 1.321 470 S CA -0.975 57.259 58.200 0.057 0.000 1.054 470 S CB 0.983 64.207 63.200 0.039 0.000 0.899 470 S HN 0.718 nan 8.310 nan 0.000 0.497 471 P HA 0.012 nan 4.420 nan 0.000 0.230 471 P C -0.059 177.251 177.300 0.015 0.000 1.158 471 P CA 0.895 64.008 63.100 0.023 0.000 0.769 471 P CB 0.079 31.791 31.700 0.020 0.000 0.807 472 K N 0.004 120.412 120.400 0.014 0.000 2.699 472 K HA 0.186 4.507 4.320 0.002 0.000 0.210 472 K C 0.108 176.709 176.600 0.001 0.000 1.076 472 K CA -0.832 55.459 56.287 0.007 0.000 1.109 472 K CB -0.093 32.411 32.500 0.006 0.000 0.862 472 K HN 0.017 nan 8.250 nan 0.000 0.470 473 L N 2.852 124.077 121.223 0.003 0.000 2.615 473 L HA 0.048 4.389 4.340 0.002 0.000 0.271 473 L C -0.055 176.805 176.870 -0.016 0.000 1.183 473 L CA 0.440 55.276 54.840 -0.007 0.000 0.933 473 L CB -0.108 41.951 42.059 0.000 0.000 1.199 473 L HN 0.215 nan 8.230 nan 0.000 0.487 474 I N 4.037 124.593 120.570 -0.023 0.000 2.822 474 I HA 0.701 4.872 4.170 0.002 0.000 0.312 474 I C -2.293 173.804 176.117 -0.034 0.000 1.011 474 I CA -2.548 58.736 61.300 -0.025 0.000 1.105 474 I CB 1.472 39.461 38.000 -0.019 0.000 1.291 474 I HN 0.418 nan 8.210 nan 0.000 0.474 475 P HA 0.091 nan 4.420 nan 0.000 0.271 475 P C -0.622 176.672 177.300 -0.011 0.000 1.218 475 P CA -0.273 62.793 63.100 -0.057 0.000 0.780 475 P CB 0.746 32.386 31.700 -0.100 0.000 0.901 476 M N 2.472 122.100 119.600 0.047 0.000 2.238 476 M HA 0.013 4.494 4.480 0.002 0.000 0.350 476 M C 0.301 176.682 176.300 0.134 0.000 1.321 476 M CA 0.384 55.755 55.300 0.119 0.000 1.097 476 M CB 0.118 32.869 32.600 0.250 0.000 1.713 476 M HN 0.331 nan 8.290 nan 0.000 0.455 477 Q N 3.203 123.049 119.800 0.076 0.000 2.312 477 Q HA 0.301 4.642 4.340 0.002 0.000 0.236 477 Q C -1.029 175.013 176.000 0.070 0.000 0.965 477 Q CA -0.419 55.420 55.803 0.060 0.000 0.894 477 Q CB 1.118 29.870 28.738 0.025 0.000 1.225 477 Q HN 0.556 nan 8.270 nan 0.000 0.478 478 Q N 1.394 121.231 119.800 0.062 0.000 2.289 478 Q HA 0.369 4.710 4.340 0.002 0.000 0.270 478 Q C -1.640 174.378 176.000 0.029 0.000 1.038 478 Q CA -0.764 55.061 55.803 0.036 0.000 0.812 478 Q CB 2.309 31.096 28.738 0.083 0.000 1.300 478 Q HN 0.447 nan 8.270 nan 0.000 0.427 479 L N 2.672 123.897 121.223 0.003 0.000 2.265 479 L HA 0.390 4.731 4.340 0.002 0.000 0.289 479 L C -0.113 176.826 176.870 0.115 0.000 1.033 479 L CA 0.164 55.039 54.840 0.058 0.000 0.814 479 L CB 0.705 42.810 42.059 0.077 0.000 1.203 479 L HN 0.417 nan 8.230 nan 0.000 0.423 480 E N 0.000 120.288 120.200 0.147 0.000 2.725 480 E HA 0.000 4.351 4.350 0.002 0.000 0.291 480 E CA 0.000 56.520 56.400 0.199 0.000 0.976 480 E CB 0.000 29.775 29.700 0.125 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440