REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xln_1_B DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.416 176.300 0.193 0.000 0.893 1 R CA 0.000 56.173 56.100 0.122 0.000 0.921 1 R CB 0.000 30.361 30.300 0.101 0.000 0.687 2 L N 1.946 123.269 121.223 0.165 0.000 2.027 2 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 2 L C 2.037 178.954 176.870 0.077 0.000 1.074 2 L CA 2.423 57.342 54.840 0.130 0.000 0.745 2 L CB -0.250 41.868 42.059 0.098 0.000 0.898 2 L HN 0.555 nan 8.230 nan 0.000 0.433 3 T N -3.582 111.013 114.554 0.068 0.000 2.803 3 T HA -0.269 4.081 4.350 -0.000 0.000 0.269 3 T C 1.611 176.344 174.700 0.055 0.000 1.052 3 T CA 1.465 63.597 62.100 0.053 0.000 1.136 3 T CB -0.276 68.616 68.868 0.041 0.000 0.864 3 T HN 0.410 nan 8.240 nan 0.000 0.467 4 E N 0.427 120.664 120.200 0.062 0.000 2.076 4 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 4 E C 2.118 178.745 176.600 0.046 0.000 0.979 4 E CA 0.516 56.949 56.400 0.054 0.000 0.807 4 E CB -0.159 29.576 29.700 0.058 0.000 0.761 4 E HN 0.421 nan 8.360 nan 0.000 0.454 5 L N 1.539 122.792 121.223 0.050 0.000 2.043 5 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 5 L C 2.311 179.169 176.870 -0.020 0.000 1.075 5 L CA 1.729 56.556 54.840 -0.021 0.000 0.752 5 L CB -0.181 41.781 42.059 -0.161 0.000 0.891 5 L HN 0.024 nan 8.230 nan 0.000 0.432 6 R N -0.192 120.351 120.500 0.071 0.000 2.066 6 R HA -0.168 4.171 4.340 -0.000 0.000 0.232 6 R C 2.120 178.521 176.300 0.168 0.000 1.131 6 R CA 1.612 57.848 56.100 0.226 0.000 0.955 6 R CB -0.608 29.816 30.300 0.206 0.000 0.851 6 R HN 0.691 nan 8.270 nan 0.000 0.432 7 E N 1.075 121.328 120.200 0.088 0.000 2.204 7 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 7 E C 0.784 177.398 176.600 0.024 0.000 0.989 7 E CA 1.408 57.843 56.400 0.060 0.000 0.824 7 E CB -0.044 29.681 29.700 0.042 0.000 0.756 7 E HN 0.195 nan 8.360 nan 0.000 0.477 8 D N 1.071 121.470 120.400 -0.003 0.000 2.123 8 D HA -0.034 4.606 4.640 -0.000 0.000 0.200 8 D C 1.996 178.244 176.300 -0.087 0.000 0.976 8 D CA 0.914 54.891 54.000 -0.037 0.000 0.831 8 D CB -0.050 40.727 40.800 -0.039 0.000 0.974 8 D HN 0.299 nan 8.370 nan 0.000 0.469 9 I N 0.835 121.311 120.570 -0.157 0.000 2.439 9 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 9 I C 1.613 177.617 176.117 -0.188 0.000 1.139 9 I CA 0.724 61.836 61.300 -0.313 0.000 1.438 9 I CB -0.033 37.515 38.000 -0.755 0.000 1.085 9 I HN -0.130 nan 8.210 nan 0.000 0.427 10 D N 1.382 121.775 120.400 -0.011 0.000 2.123 10 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 10 D C 2.260 178.572 176.300 0.021 0.000 0.992 10 D CA 1.692 55.741 54.000 0.081 0.000 0.833 10 D CB -0.081 40.791 40.800 0.120 0.000 0.954 10 D HN 0.342 nan 8.370 nan 0.000 0.455 11 A N 0.430 123.248 122.820 -0.003 0.000 1.929 11 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 11 A C 2.370 179.938 177.584 -0.027 0.000 1.176 11 A CA 0.619 52.650 52.037 -0.010 0.000 0.628 11 A CB -0.583 18.410 19.000 -0.011 0.000 0.816 11 A HN 0.183 nan 8.150 nan 0.000 0.444 12 I N -0.221 120.317 120.570 -0.053 0.000 2.286 12 I HA -0.228 3.941 4.170 -0.000 0.000 0.248 12 I C 1.947 178.031 176.117 -0.055 0.000 1.115 12 I CA 0.982 62.242 61.300 -0.066 0.000 1.392 12 I CB -0.212 37.726 38.000 -0.102 0.000 1.065 12 I HN 0.256 nan 8.210 nan 0.000 0.418 13 L N 0.383 121.578 121.223 -0.047 0.000 2.549 13 L HA -0.097 4.243 4.340 -0.000 0.000 0.229 13 L C 1.517 178.384 176.870 -0.004 0.000 1.158 13 L CA 0.616 55.443 54.840 -0.021 0.000 0.842 13 L CB -0.375 41.690 42.059 0.009 0.000 0.952 13 L HN 0.242 nan 8.230 nan 0.000 0.452 14 E N 0.023 120.219 120.200 -0.006 0.000 2.359 14 E HA 0.011 4.361 4.350 -0.000 0.000 0.187 14 E C -0.206 176.391 176.600 -0.005 0.000 1.081 14 E CA -0.001 56.399 56.400 0.000 0.000 0.929 14 E CB -0.116 29.585 29.700 0.003 0.000 1.086 14 E HN 0.374 nan 8.360 nan 0.000 0.462 15 D N 1.530 121.922 120.400 -0.014 0.000 2.414 15 D HA -0.009 4.631 4.640 -0.000 0.000 0.242 15 D C -1.191 175.104 176.300 -0.008 0.000 1.129 15 D CA -1.518 52.472 54.000 -0.016 0.000 0.885 15 D CB 1.209 41.992 40.800 -0.029 0.000 1.198 15 D HN -0.105 nan 8.370 nan 0.000 0.437 16 P HA -0.143 nan 4.420 nan 0.000 0.222 16 P C 0.664 177.968 177.300 0.006 0.000 1.147 16 P CA 0.752 63.853 63.100 0.002 0.000 0.790 16 P CB 0.069 31.770 31.700 0.001 0.000 0.780 17 A N -0.531 122.286 122.820 -0.005 0.000 2.067 17 A HA -0.073 4.246 4.320 -0.000 0.000 0.219 17 A C 1.837 179.424 177.584 0.006 0.000 1.158 17 A CA 1.094 53.127 52.037 -0.006 0.000 0.661 17 A CB -1.022 17.954 19.000 -0.041 0.000 0.801 17 A HN 0.108 nan 8.150 nan 0.000 0.452 18 L N 0.488 121.711 121.223 0.001 0.000 2.700 18 L HA 0.197 4.536 4.340 -0.000 0.000 0.234 18 L C 0.082 176.975 176.870 0.038 0.000 1.156 18 L CA -0.062 54.789 54.840 0.018 0.000 0.946 18 L CB -0.344 41.713 42.059 -0.003 0.000 1.216 18 L HN 0.247 nan 8.230 nan 0.000 0.493 19 E N 0.577 120.798 120.200 0.036 0.000 2.415 19 E HA 0.241 4.591 4.350 -0.000 0.000 0.260 19 E C 1.244 177.869 176.600 0.041 0.000 1.016 19 E CA 0.805 57.224 56.400 0.032 0.000 0.924 19 E CB 0.309 30.024 29.700 0.025 0.000 0.961 19 E HN 0.374 nan 8.360 nan 0.000 0.459 20 G N 2.381 111.202 108.800 0.036 0.000 2.184 20 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.264 20 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.264 20 G C 0.473 175.400 174.900 0.045 0.000 0.975 20 G CA 0.281 45.402 45.100 0.034 0.000 0.642 20 G HN 0.781 nan 8.290 nan 0.000 0.536 21 A N -0.832 122.025 122.820 0.062 0.000 2.252 21 A HA 0.837 5.157 4.320 -0.000 0.000 0.305 21 A C 0.177 177.801 177.584 0.067 0.000 1.097 21 A CA 0.147 52.235 52.037 0.086 0.000 0.849 21 A CB 1.460 20.541 19.000 0.136 0.000 1.142 21 A HN 1.195 nan 8.150 nan 0.000 0.499 22 V N 1.078 121.037 119.914 0.075 0.000 2.409 22 V HA 0.539 4.659 4.120 -0.000 0.000 0.291 22 V C -0.170 175.965 176.094 0.068 0.000 1.020 22 V CA -0.359 61.977 62.300 0.060 0.000 0.848 22 V CB 1.215 33.067 31.823 0.048 0.000 0.990 22 V HN 0.770 nan 8.190 nan 0.000 0.430 23 S N 2.859 118.595 115.700 0.061 0.000 2.605 23 S HA 0.671 5.141 4.470 -0.000 0.000 0.308 23 S C 0.304 174.946 174.600 0.071 0.000 1.113 23 S CA -0.572 57.665 58.200 0.062 0.000 1.049 23 S CB 1.797 65.028 63.200 0.051 0.000 1.001 23 S HN 1.060 nan 8.310 nan 0.000 0.480 24 G N 1.650 110.492 108.800 0.071 0.000 2.327 24 G HA2 0.547 4.507 3.960 -0.000 0.000 0.302 24 G HA3 0.547 4.507 3.960 -0.000 0.000 0.302 24 G C -0.887 174.074 174.900 0.103 0.000 1.113 24 G CA -0.375 44.773 45.100 0.079 0.000 0.921 24 G HN 0.588 nan 8.290 nan 0.000 0.425 25 V N 3.344 123.345 119.914 0.145 0.000 2.482 25 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 25 V C -0.529 175.718 176.094 0.255 0.000 1.026 25 V CA -0.615 61.802 62.300 0.195 0.000 0.856 25 V CB 1.770 33.717 31.823 0.207 0.000 1.001 25 V HN 0.553 nan 8.190 nan 0.000 0.424 26 V N 5.503 125.539 119.914 0.203 0.000 2.577 26 V HA 0.590 4.710 4.120 -0.000 0.000 0.303 26 V C -0.542 175.665 176.094 0.188 0.000 1.042 26 V CA -0.634 61.776 62.300 0.182 0.000 0.872 26 V CB 2.293 34.181 31.823 0.108 0.000 0.998 26 V HN 0.567 nan 8.190 nan 0.000 0.423 27 V N 5.148 125.174 119.914 0.186 0.000 2.487 27 V HA 0.653 4.773 4.120 -0.000 0.000 0.298 27 V C -0.466 175.697 176.094 0.114 0.000 1.028 27 V CA -0.611 61.782 62.300 0.155 0.000 0.860 27 V CB 2.015 33.894 31.823 0.093 0.000 0.991 27 V HN 0.592 nan 8.190 nan 0.000 0.427 28 V N 3.135 123.120 119.914 0.119 0.000 2.638 28 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 28 V C -0.429 175.737 176.094 0.121 0.000 1.052 28 V CA -0.653 61.708 62.300 0.101 0.000 0.885 28 V CB 2.138 34.014 31.823 0.087 0.000 0.999 28 V HN 0.924 nan 8.190 nan 0.000 0.424 29 D N 3.051 123.517 120.400 0.111 0.000 2.346 29 D HA 0.075 4.715 4.640 -0.000 0.000 0.260 29 D C 1.140 177.503 176.300 0.105 0.000 1.252 29 D CA 0.194 54.268 54.000 0.124 0.000 0.895 29 D CB 1.790 42.666 40.800 0.126 0.000 1.097 29 D HN 0.632 nan 8.370 nan 0.000 0.489 30 T N 3.062 117.687 114.554 0.117 0.000 2.746 30 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 30 T C 1.761 176.499 174.700 0.063 0.000 1.039 30 T CA 1.429 63.588 62.100 0.099 0.000 1.142 30 T CB 0.100 69.039 68.868 0.118 0.000 0.866 30 T HN 0.571 nan 8.240 nan 0.000 0.444 31 A N 1.697 124.552 122.820 0.058 0.000 1.872 31 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 31 A C 2.649 180.255 177.584 0.036 0.000 1.187 31 A CA 2.078 54.138 52.037 0.038 0.000 0.614 31 A CB -1.099 17.922 19.000 0.034 0.000 0.826 31 A HN 0.610 nan 8.150 nan 0.000 0.442 32 T N -4.518 110.064 114.554 0.046 0.000 2.937 32 T HA 0.346 4.696 4.350 -0.000 0.000 0.260 32 T C 1.600 176.324 174.700 0.039 0.000 1.051 32 T CA 1.446 63.571 62.100 0.042 0.000 1.141 32 T CB -0.275 68.624 68.868 0.051 0.000 0.879 32 T HN 1.752 nan 8.240 nan 0.000 0.459 33 G N 1.117 109.946 108.800 0.048 0.000 2.157 33 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.239 33 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.239 33 G C -0.172 174.755 174.900 0.045 0.000 0.982 33 G CA 0.206 45.332 45.100 0.044 0.000 0.650 33 G HN 0.876 nan 8.290 nan 0.000 0.527 34 E N 0.719 120.951 120.200 0.052 0.000 2.344 34 E HA 0.362 4.712 4.350 -0.000 0.000 0.270 34 E C 0.164 176.794 176.600 0.051 0.000 1.021 34 E CA -0.345 56.085 56.400 0.050 0.000 0.887 34 E CB 0.313 30.048 29.700 0.059 0.000 0.997 34 E HN 0.379 nan 8.360 nan 0.000 0.429 35 E N 4.621 124.844 120.200 0.038 0.000 2.070 35 E HA 0.036 4.386 4.350 -0.000 0.000 0.282 35 E C 0.626 177.244 176.600 0.029 0.000 1.104 35 E CA -0.136 56.284 56.400 0.034 0.000 0.876 35 E CB 0.481 30.191 29.700 0.016 0.000 1.055 35 E HN 0.639 nan 8.360 nan 0.000 0.401 36 L N 4.283 125.529 121.223 0.038 0.000 2.162 36 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 36 L C 0.338 177.248 176.870 0.065 0.000 1.086 36 L CA 0.593 55.439 54.840 0.010 0.000 0.778 36 L CB 0.093 42.107 42.059 -0.075 0.000 0.928 36 L HN 0.567 nan 8.230 nan 0.000 0.446 37 Y N -1.060 119.208 120.300 -0.054 0.000 2.513 37 Y HA 0.454 5.004 4.550 -0.000 0.000 0.340 37 Y C -0.854 175.038 175.900 -0.012 0.000 1.055 37 Y CA -0.902 57.173 58.100 -0.042 0.000 1.020 37 Y CB 2.078 40.501 38.460 -0.061 0.000 1.301 37 Y HN -0.257 nan 8.280 nan 0.000 0.453 38 S N 5.963 121.387 115.700 -0.460 0.000 2.706 38 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 38 S C -1.920 172.466 174.600 -0.356 0.000 1.163 38 S CA -0.686 57.373 58.200 -0.235 0.000 1.042 38 S CB 0.628 63.759 63.200 -0.114 0.000 1.079 38 S HN 0.829 nan 8.310 nan 0.000 0.474 39 R N 3.340 123.758 120.500 -0.137 0.000 2.532 39 R HA 0.356 4.696 4.340 -0.000 0.000 0.297 39 R C -0.945 175.371 176.300 0.026 0.000 0.984 39 R CA -0.306 55.760 56.100 -0.058 0.000 0.884 39 R CB 0.683 31.012 30.300 0.049 0.000 1.182 39 R HN 0.749 nan 8.270 nan 0.000 0.442 40 D N 3.115 123.519 120.400 0.006 0.000 2.686 40 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 40 D C 0.747 177.066 176.300 0.031 0.000 1.160 40 D CA 1.303 55.316 54.000 0.021 0.000 0.645 40 D CB -0.666 40.154 40.800 0.035 0.000 1.039 40 D HN 0.940 nan 8.370 nan 0.000 0.423 41 G N 0.063 108.877 108.800 0.023 0.000 2.448 41 G HA2 0.033 3.993 3.960 -0.000 0.000 0.218 41 G HA3 0.033 3.993 3.960 -0.000 0.000 0.218 41 G C 1.498 176.417 174.900 0.033 0.000 1.135 41 G CA 0.763 45.883 45.100 0.035 0.000 0.784 41 G HN 0.448 nan 8.290 nan 0.000 0.543 42 G N -0.425 108.387 108.800 0.022 0.000 3.042 42 G HA2 0.238 4.198 3.960 -0.000 0.000 0.212 42 G HA3 0.238 4.198 3.960 -0.000 0.000 0.212 42 G C 0.261 175.172 174.900 0.017 0.000 1.166 42 G CA -0.237 44.874 45.100 0.019 0.000 0.767 42 G HN 0.309 nan 8.290 nan 0.000 0.546 43 E N 1.222 121.434 120.200 0.021 0.000 2.299 43 E HA 0.194 4.544 4.350 -0.000 0.000 0.272 43 E C 0.274 176.886 176.600 0.019 0.000 1.043 43 E CA -0.067 56.344 56.400 0.019 0.000 0.895 43 E CB 0.331 30.046 29.700 0.024 0.000 1.011 43 E HN 0.273 nan 8.360 nan 0.000 0.432 44 Q N 3.728 123.534 119.800 0.011 0.000 2.296 44 Q HA 0.280 4.620 4.340 -0.000 0.000 0.263 44 Q C -0.538 175.466 176.000 0.007 0.000 1.026 44 Q CA 0.142 55.947 55.803 0.003 0.000 0.912 44 Q CB 0.523 29.258 28.738 -0.006 0.000 1.198 44 Q HN 0.443 nan 8.270 nan 0.000 0.407 45 L N 2.469 123.697 121.223 0.009 0.000 2.371 45 L HA 0.424 4.763 4.340 -0.000 0.000 0.262 45 L C -0.867 176.006 176.870 0.005 0.000 1.006 45 L CA -1.302 53.546 54.840 0.014 0.000 0.818 45 L CB 1.374 43.452 42.059 0.032 0.000 1.354 45 L HN 0.387 nan 8.230 nan 0.000 0.415 46 L N 3.839 125.065 121.223 0.004 0.000 2.462 46 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 46 L C -1.456 175.419 176.870 0.009 0.000 1.166 46 L CA -0.544 54.293 54.840 -0.006 0.000 0.880 46 L CB 0.072 42.122 42.059 -0.015 0.000 1.142 46 L HN 0.405 nan 8.230 nan 0.000 0.473 47 P HA 0.079 nan 4.420 nan 0.000 0.239 47 P C 0.691 178.003 177.300 0.020 0.000 1.188 47 P CA 0.892 64.011 63.100 0.032 0.000 0.794 47 P CB 0.520 32.255 31.700 0.059 0.000 0.937 48 A N 0.701 123.518 122.820 -0.004 0.000 5.578 48 A HA -0.282 4.037 4.320 -0.000 0.000 0.312 48 A C 1.792 179.375 177.584 -0.001 0.000 1.861 48 A CA 1.818 53.840 52.037 -0.026 0.000 0.719 48 A CB -2.419 16.557 19.000 -0.040 0.000 1.323 48 A HN 0.184 nan 8.150 nan 0.000 0.387 49 S N 0.809 116.498 115.700 -0.018 0.000 2.595 49 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 49 S C 1.364 175.965 174.600 0.002 0.000 0.974 49 S CA 1.176 59.373 58.200 -0.005 0.000 0.942 49 S CB -0.717 62.461 63.200 -0.038 0.000 0.766 49 S HN 0.611 nan 8.310 nan 0.000 0.536 50 N N 1.525 120.236 118.700 0.017 0.000 2.381 50 N HA -0.008 4.732 4.740 -0.000 0.000 0.182 50 N C 1.441 177.055 175.510 0.172 0.000 1.025 50 N CA 0.527 53.602 53.050 0.042 0.000 0.888 50 N CB -0.337 38.179 38.487 0.048 0.000 0.965 50 N HN 0.280 nan 8.380 nan 0.000 0.438 51 M N 1.128 120.845 119.600 0.195 0.000 2.260 51 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 51 M C 1.250 177.742 176.300 0.319 0.000 1.066 51 M CA 1.517 56.991 55.300 0.291 0.000 1.082 51 M CB -0.056 32.636 32.600 0.153 0.000 1.388 51 M HN -0.030 nan 8.290 nan 0.000 0.419 52 K N -0.455 120.060 120.400 0.191 0.000 2.280 52 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 52 K C 1.823 178.492 176.600 0.116 0.000 1.047 52 K CA 1.171 57.553 56.287 0.159 0.000 0.942 52 K CB -0.417 32.052 32.500 -0.051 0.000 0.739 52 K HN 0.418 nan 8.250 nan 0.000 0.457 53 L N -0.261 121.007 121.223 0.076 0.000 2.046 53 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 53 L C 2.135 179.128 176.870 0.204 0.000 1.077 53 L CA 1.401 56.296 54.840 0.092 0.000 0.747 53 L CB -0.456 41.561 42.059 -0.071 0.000 0.896 53 L HN 0.073 nan 8.230 nan 0.000 0.432 54 F N -0.288 119.789 119.950 0.211 0.000 2.146 54 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 54 F C 2.681 178.581 175.800 0.166 0.000 1.096 54 F CA 1.562 59.661 58.000 0.166 0.000 1.275 54 F CB -1.024 38.043 39.000 0.112 0.000 1.008 54 F HN -0.042 nan 8.300 nan 0.000 0.480 55 T N 0.056 114.839 114.554 0.382 0.000 2.674 55 T HA -0.220 4.130 4.350 -0.000 0.000 0.265 55 T C 2.314 177.192 174.700 0.296 0.000 1.039 55 T CA 1.419 63.708 62.100 0.315 0.000 1.150 55 T CB -0.786 68.301 68.868 0.366 0.000 0.864 55 T HN 0.290 nan 8.240 nan 0.000 0.427 56 A N 1.562 124.611 122.820 0.381 0.000 1.917 56 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 56 A C 2.646 180.330 177.584 0.167 0.000 1.182 56 A CA 2.115 54.377 52.037 0.374 0.000 0.633 56 A CB -1.194 18.033 19.000 0.378 0.000 0.819 56 A HN 0.532 nan 8.150 nan 0.000 0.448 57 A N -0.311 122.596 122.820 0.145 0.000 1.873 57 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 57 A C 2.535 179.984 177.584 -0.225 0.000 1.186 57 A CA 2.098 53.977 52.037 -0.262 0.000 0.616 57 A CB -1.101 17.761 19.000 -0.231 0.000 0.823 57 A HN 1.135 nan 8.150 nan 0.000 0.442 58 A N -0.128 122.680 122.820 -0.020 0.000 1.940 58 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 58 A C 2.481 180.034 177.584 -0.051 0.000 1.176 58 A CA 2.217 54.256 52.037 0.002 0.000 0.631 58 A CB -0.962 18.083 19.000 0.075 0.000 0.814 58 A HN 1.031 nan 8.150 nan 0.000 0.446 59 A N -0.258 122.536 122.820 -0.043 0.000 1.873 59 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 59 A C 2.168 179.655 177.584 -0.161 0.000 1.186 59 A CA 1.425 53.430 52.037 -0.054 0.000 0.616 59 A CB -0.647 18.371 19.000 0.031 0.000 0.823 59 A HN 0.460 nan 8.150 nan 0.000 0.442 60 L N -0.957 120.066 121.223 -0.333 0.000 2.042 60 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 60 L C 2.698 179.270 176.870 -0.496 0.000 1.076 60 L CA 1.868 56.349 54.840 -0.599 0.000 0.749 60 L CB -0.428 40.810 42.059 -1.368 0.000 0.893 60 L HN 0.433 nan 8.230 nan 0.000 0.432 61 E N -0.368 119.612 120.200 -0.366 0.000 2.072 61 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 61 E C 2.076 178.667 176.600 -0.016 0.000 0.985 61 E CA 1.082 57.461 56.400 -0.035 0.000 0.801 61 E CB 0.045 29.783 29.700 0.064 0.000 0.750 61 E HN 0.179 nan 8.360 nan 0.000 0.452 62 V N -0.121 119.760 119.914 -0.055 0.000 2.379 62 V HA -0.092 4.028 4.120 -0.000 0.000 0.243 62 V C 2.118 178.169 176.094 -0.071 0.000 1.035 62 V CA 1.285 63.561 62.300 -0.041 0.000 1.035 62 V CB -0.208 31.593 31.823 -0.037 0.000 0.673 62 V HN 0.240 nan 8.190 nan 0.000 0.457 63 L N -0.415 120.729 121.223 -0.131 0.000 2.354 63 L HA 0.477 4.817 4.340 -0.000 0.000 0.212 63 L C 1.087 177.888 176.870 -0.115 0.000 1.091 63 L CA 0.800 55.490 54.840 -0.250 0.000 0.828 63 L CB -0.292 41.501 42.059 -0.443 0.000 0.973 63 L HN 0.515 nan 8.230 nan 0.000 0.461 64 G N -0.690 108.069 108.800 -0.067 0.000 2.692 64 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.686 64 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.686 64 G C 0.422 175.326 174.900 0.008 0.000 1.243 64 G CA -0.360 44.740 45.100 0.000 0.000 0.782 64 G HN 0.160 nan 8.290 nan 0.000 0.625 65 A N 0.277 123.119 122.820 0.037 0.000 2.066 65 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 65 A C 1.854 179.474 177.584 0.060 0.000 1.157 65 A CA 2.154 54.227 52.037 0.060 0.000 0.670 65 A CB -0.182 18.896 19.000 0.129 0.000 0.804 65 A HN 1.386 nan 8.150 nan 0.000 0.453 66 D N -1.549 118.881 120.400 0.049 0.000 2.358 66 D HA 0.058 4.698 4.640 -0.000 0.000 0.224 66 D C 0.308 176.586 176.300 -0.037 0.000 1.123 66 D CA -0.373 53.634 54.000 0.011 0.000 0.833 66 D CB -0.982 39.825 40.800 0.011 0.000 0.946 66 D HN 0.552 nan 8.370 nan 0.000 0.505 67 H N 0.797 119.784 119.070 -0.138 0.000 2.562 67 H HA 0.419 4.975 4.556 -0.000 0.000 0.352 67 H C -0.020 175.062 175.328 -0.409 0.000 1.125 67 H CA 0.037 55.928 56.048 -0.261 0.000 1.379 67 H CB 0.903 30.495 29.762 -0.282 0.000 1.464 67 H HN 0.072 nan 8.280 nan 0.000 0.563 68 S N 3.217 118.315 115.700 -1.003 0.000 2.661 68 S HA 0.577 5.047 4.470 -0.000 0.000 0.285 68 S C -1.370 172.630 174.600 -1.000 0.000 1.138 68 S CA -0.986 56.739 58.200 -0.792 0.000 0.855 68 S CB 1.349 64.298 63.200 -0.418 0.000 1.136 68 S HN 0.420 nan 8.310 nan 0.000 0.484 69 F N 0.253 120.079 119.950 -0.207 0.000 2.507 69 F HA 0.707 5.234 4.527 -0.000 0.000 0.325 69 F C 0.867 176.539 175.800 -0.212 0.000 1.116 69 F CA -0.508 57.391 58.000 -0.168 0.000 0.930 69 F CB 2.223 41.169 39.000 -0.091 0.000 1.146 69 F HN 0.961 nan 8.300 nan 0.000 0.447 70 G N 1.037 109.791 108.800 -0.076 0.000 2.389 70 G HA2 0.635 4.595 3.960 -0.000 0.000 0.328 70 G HA3 0.635 4.595 3.960 -0.000 0.000 0.328 70 G C -1.097 173.719 174.900 -0.140 0.000 1.133 70 G CA -0.502 44.510 45.100 -0.147 0.000 0.891 70 G HN 0.526 nan 8.290 nan 0.000 0.485 71 T N 0.799 115.296 114.554 -0.095 0.000 2.893 71 T HA 0.651 5.000 4.350 -0.000 0.000 0.291 71 T C -0.729 173.917 174.700 -0.090 0.000 1.028 71 T CA -0.536 61.504 62.100 -0.100 0.000 0.995 71 T CB 2.440 71.274 68.868 -0.057 0.000 1.051 71 T HN 0.554 nan 8.240 nan 0.000 0.470 72 E N 0.531 120.665 120.200 -0.110 0.000 2.413 72 E HA 0.616 4.966 4.350 -0.000 0.000 0.277 72 E C -1.586 174.975 176.600 -0.066 0.000 0.958 72 E CA -0.833 55.523 56.400 -0.073 0.000 0.779 72 E CB 2.480 32.141 29.700 -0.065 0.000 1.278 72 E HN 0.297 nan 8.360 nan 0.000 0.456 73 V N 1.294 121.206 119.914 -0.004 0.000 2.444 73 V HA 0.760 4.880 4.120 -0.000 0.000 0.294 73 V C -0.624 175.550 176.094 0.132 0.000 1.022 73 V CA -0.587 61.755 62.300 0.069 0.000 0.850 73 V CB 1.246 33.151 31.823 0.137 0.000 0.992 73 V HN 0.716 nan 8.190 nan 0.000 0.426 74 A N 3.783 126.729 122.820 0.211 0.000 2.386 74 A HA 1.021 5.341 4.320 -0.000 0.000 0.311 74 A C -0.288 177.534 177.584 0.397 0.000 1.068 74 A CA -0.229 51.961 52.037 0.255 0.000 0.743 74 A CB 1.851 20.993 19.000 0.237 0.000 1.258 74 A HN 1.389 nan 8.150 nan 0.000 0.429 75 A N 0.492 123.476 122.820 0.273 0.000 2.430 75 A HA 0.688 5.008 4.320 -0.000 0.000 0.300 75 A C 0.683 178.119 177.584 -0.247 0.000 1.124 75 A CA 0.088 52.238 52.037 0.188 0.000 0.766 75 A CB 0.977 20.032 19.000 0.093 0.000 1.328 75 A HN 0.982 nan 8.150 nan 0.000 0.424 76 E N 0.269 119.908 120.200 -0.936 0.000 2.085 76 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 76 E C 0.321 176.571 176.600 -0.584 0.000 0.994 76 E CA 1.664 57.224 56.400 -1.400 0.000 0.801 76 E CB 0.074 28.863 29.700 -1.519 0.000 0.743 76 E HN 0.584 nan 8.360 nan 0.000 0.453 77 S N -1.521 113.974 115.700 -0.342 0.000 2.697 77 S HA 0.650 5.120 4.470 -0.000 0.000 0.289 77 S C -1.039 173.498 174.600 -0.105 0.000 1.149 77 S CA -0.526 57.561 58.200 -0.189 0.000 0.850 77 S CB 1.696 64.800 63.200 -0.160 0.000 1.151 77 S HN 0.380 nan 8.310 nan 0.000 0.491 78 A N 2.447 125.226 122.820 -0.068 0.000 2.466 78 A HA 0.521 4.841 4.320 -0.000 0.000 0.238 78 A C -2.322 175.244 177.584 -0.031 0.000 1.074 78 A CA -0.834 51.181 52.037 -0.037 0.000 0.774 78 A CB -0.917 18.066 19.000 -0.028 0.000 1.015 78 A HN 0.519 nan 8.150 nan 0.000 0.498 79 P HA 0.092 nan 4.420 nan 0.000 0.266 79 P C 0.580 177.871 177.300 -0.015 0.000 1.186 79 P CA 0.600 63.694 63.100 -0.010 0.000 0.767 79 P CB 0.220 31.919 31.700 -0.002 0.000 0.820 80 G N 2.217 111.009 108.800 -0.014 0.000 2.508 80 G HA2 0.076 4.036 3.960 -0.000 0.000 0.278 80 G HA3 0.076 4.036 3.960 -0.000 0.000 0.278 80 G C 1.092 175.985 174.900 -0.010 0.000 1.389 80 G CA -0.614 44.478 45.100 -0.014 0.000 1.050 80 G HN 0.397 nan 8.290 nan 0.000 0.522 81 R N -0.891 119.604 120.500 -0.010 0.000 2.127 81 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 81 R C 2.183 178.479 176.300 -0.007 0.000 1.134 81 R CA 1.093 57.188 56.100 -0.008 0.000 0.975 81 R CB -0.102 30.194 30.300 -0.007 0.000 0.865 81 R HN 0.239 nan 8.270 nan 0.000 0.447 82 R N -0.377 120.119 120.500 -0.006 0.000 2.317 82 R HA 0.106 4.446 4.340 -0.000 0.000 0.208 82 R C 0.639 176.936 176.300 -0.006 0.000 0.914 82 R CA 0.625 56.722 56.100 -0.005 0.000 1.060 82 R CB 0.630 30.927 30.300 -0.004 0.000 1.015 82 R HN 0.450 nan 8.270 nan 0.000 0.498 83 G N 1.408 110.204 108.800 -0.006 0.000 2.160 83 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 83 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 83 G C -0.408 174.490 174.900 -0.003 0.000 1.022 83 G CA 0.314 45.411 45.100 -0.005 0.000 0.741 83 G HN 0.376 nan 8.290 nan 0.000 0.508 84 E N 0.168 120.367 120.200 -0.002 0.000 2.216 84 E HA 0.630 4.980 4.350 -0.000 0.000 0.279 84 E C 0.299 176.903 176.600 0.006 0.000 0.997 84 E CA -0.361 56.040 56.400 0.003 0.000 0.817 84 E CB 2.064 31.766 29.700 0.003 0.000 1.096 84 E HN 1.022 nan 8.360 nan 0.000 0.393 85 V N 0.567 120.492 119.914 0.017 0.000 2.994 85 V HA 0.356 4.476 4.120 -0.000 0.000 0.318 85 V C 0.795 176.918 176.094 0.048 0.000 1.085 85 V CA -0.790 61.527 62.300 0.029 0.000 0.998 85 V CB 1.530 33.383 31.823 0.049 0.000 1.063 85 V HN 0.734 nan 8.190 nan 0.000 0.447 86 Q N 1.159 121.001 119.800 0.069 0.000 1.808 86 Q HA 0.191 4.531 4.340 -0.000 0.000 0.286 86 Q C 0.168 176.257 176.000 0.149 0.000 0.955 86 Q CA 1.446 57.309 55.803 0.101 0.000 0.877 86 Q CB -0.170 28.636 28.738 0.113 0.000 0.917 86 Q HN 0.927 nan 8.270 nan 0.000 0.436 87 D N 0.153 120.708 120.400 0.258 0.000 2.253 87 D HA 0.340 4.980 4.640 -0.000 0.000 0.249 87 D C -0.822 175.697 176.300 0.365 0.000 1.049 87 D CA -0.161 54.028 54.000 0.315 0.000 0.929 87 D CB 1.078 42.166 40.800 0.480 0.000 1.176 87 D HN 0.251 nan 8.370 nan 0.000 0.437 88 L N 1.945 123.300 121.223 0.220 0.000 2.410 88 L HA 0.363 4.703 4.340 -0.000 0.000 0.270 88 L C -1.543 175.410 176.870 0.138 0.000 0.983 88 L CA -0.796 54.201 54.840 0.262 0.000 0.822 88 L CB 1.373 43.542 42.059 0.185 0.000 1.285 88 L HN 0.362 nan 8.230 nan 0.000 0.409 89 Y N 4.054 124.513 120.300 0.265 0.000 2.328 89 Y HA 0.351 4.900 4.550 -0.000 0.000 0.336 89 Y C -0.115 175.847 175.900 0.102 0.000 0.960 89 Y CA -0.628 57.580 58.100 0.181 0.000 1.134 89 Y CB 1.961 40.474 38.460 0.089 0.000 1.166 89 Y HN 0.370 nan 8.280 nan 0.000 0.464 90 L N 5.421 126.729 121.223 0.142 0.000 2.261 90 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 90 L C -1.089 175.767 176.870 -0.023 0.000 1.059 90 L CA -0.386 54.416 54.840 -0.063 0.000 0.816 90 L CB 0.350 42.260 42.059 -0.248 0.000 1.191 90 L HN 0.402 nan 8.230 nan 0.000 0.431 91 V N 5.205 125.088 119.914 -0.053 0.000 2.334 91 V HA 0.672 4.792 4.120 -0.000 0.000 0.281 91 V C 0.694 176.711 176.094 -0.128 0.000 1.016 91 V CA -0.426 61.842 62.300 -0.054 0.000 0.832 91 V CB 1.009 32.806 31.823 -0.044 0.000 0.999 91 V HN 0.871 nan 8.190 nan 0.000 0.439 92 G N 3.658 112.376 108.800 -0.136 0.000 2.356 92 G HA2 0.603 4.562 3.960 -0.000 0.000 0.322 92 G HA3 0.603 4.562 3.960 -0.000 0.000 0.322 92 G C -0.031 174.701 174.900 -0.281 0.000 1.125 92 G CA -0.694 44.290 45.100 -0.193 0.000 0.885 92 G HN 0.671 nan 8.290 nan 0.000 0.467 93 R N 1.529 121.794 120.500 -0.391 0.000 2.834 93 R HA 0.349 4.689 4.340 -0.000 0.000 0.362 93 R C 0.901 176.965 176.300 -0.393 0.000 1.147 93 R CA 0.121 55.800 56.100 -0.701 0.000 1.125 93 R CB 0.946 30.543 30.300 -1.171 0.000 1.361 93 R HN 0.996 nan 8.270 nan 0.000 0.598 94 G N 1.054 109.605 108.800 -0.415 0.000 2.132 94 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.228 94 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.228 94 G C -0.364 174.259 174.900 -0.462 0.000 1.000 94 G CA -0.106 44.738 45.100 -0.427 0.000 0.693 94 G HN 0.439 nan 8.290 nan 0.000 0.515 95 D N 0.859 121.083 120.400 -0.293 0.000 2.358 95 D HA 0.352 4.992 4.640 -0.000 0.000 0.258 95 D C -0.384 175.749 176.300 -0.280 0.000 1.223 95 D CA -1.657 52.189 54.000 -0.257 0.000 0.886 95 D CB 1.248 42.020 40.800 -0.046 0.000 1.120 95 D HN 0.205 nan 8.370 nan 0.000 0.482 96 P HA 0.034 nan 4.420 nan 0.000 0.253 96 P C 0.263 177.442 177.300 -0.201 0.000 1.260 96 P CA 0.386 63.296 63.100 -0.317 0.000 0.800 96 P CB 0.120 31.421 31.700 -0.666 0.000 1.162 97 T N -4.041 110.369 114.554 -0.239 0.000 3.337 97 T HA 0.225 4.575 4.350 -0.000 0.000 0.299 97 T C 0.194 174.841 174.700 -0.088 0.000 0.998 97 T CA -0.413 61.464 62.100 -0.371 0.000 0.948 97 T CB -0.438 67.848 68.868 -0.971 0.000 1.170 97 T HN -0.052 nan 8.240 nan 0.000 0.508 98 L N 3.893 125.117 121.223 0.003 0.000 2.369 98 L HA 0.460 4.800 4.340 -0.000 0.000 0.279 98 L C 0.430 177.337 176.870 0.061 0.000 1.108 98 L CA -0.076 54.771 54.840 0.011 0.000 0.852 98 L CB 0.733 42.779 42.059 -0.021 0.000 1.169 98 L HN 0.593 nan 8.230 nan 0.000 0.452 99 S N 3.257 118.984 115.700 0.045 0.000 2.722 99 S HA 0.511 4.981 4.470 -0.000 0.000 0.292 99 S C 0.965 175.575 174.600 0.016 0.000 1.135 99 S CA -0.180 58.066 58.200 0.077 0.000 1.003 99 S CB 1.794 65.062 63.200 0.113 0.000 1.067 99 S HN 0.679 nan 8.310 nan 0.000 0.546 100 A N 0.475 123.317 122.820 0.035 0.000 1.972 100 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 100 A C 2.108 179.700 177.584 0.013 0.000 1.169 100 A CA 1.385 53.440 52.037 0.030 0.000 0.635 100 A CB -0.946 18.080 19.000 0.043 0.000 0.810 100 A HN 0.841 nan 8.150 nan 0.000 0.446 101 E N 0.537 120.738 120.200 0.002 0.000 2.077 101 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 101 E C 1.464 178.042 176.600 -0.038 0.000 0.989 101 E CA 1.281 57.676 56.400 -0.007 0.000 0.800 101 E CB -0.354 29.345 29.700 -0.001 0.000 0.746 101 E HN 0.554 nan 8.360 nan 0.000 0.452 102 D N 0.428 120.766 120.400 -0.103 0.000 2.123 102 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 102 D C 2.185 178.390 176.300 -0.159 0.000 0.992 102 D CA 0.630 54.471 54.000 -0.265 0.000 0.833 102 D CB -0.228 40.247 40.800 -0.540 0.000 0.954 102 D HN 0.215 nan 8.370 nan 0.000 0.455 103 L N 0.437 121.621 121.223 -0.065 0.000 2.083 103 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 103 L C 2.198 179.172 176.870 0.173 0.000 1.083 103 L CA 1.216 56.093 54.840 0.062 0.000 0.752 103 L CB -0.354 41.769 42.059 0.108 0.000 0.899 103 L HN -0.014 nan 8.230 nan 0.000 0.433 104 D N 0.017 120.466 120.400 0.081 0.000 2.117 104 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 104 D C 2.157 178.493 176.300 0.061 0.000 0.987 104 D CA 1.337 55.373 54.000 0.060 0.000 0.829 104 D CB 0.172 40.985 40.800 0.022 0.000 0.961 104 D HN 0.249 nan 8.370 nan 0.000 0.460 105 A N 0.017 122.863 122.820 0.043 0.000 1.902 105 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 105 A C 2.337 179.967 177.584 0.077 0.000 1.181 105 A CA 1.394 53.458 52.037 0.044 0.000 0.623 105 A CB -0.627 18.390 19.000 0.028 0.000 0.818 105 A HN 0.325 nan 8.150 nan 0.000 0.443 106 M N -0.651 119.014 119.600 0.108 0.000 2.159 106 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 106 M C 2.502 178.963 176.300 0.269 0.000 1.063 106 M CA 1.336 56.736 55.300 0.168 0.000 1.110 106 M CB -0.398 32.273 32.600 0.119 0.000 1.374 106 M HN 0.500 nan 8.290 nan 0.000 0.411 107 A N 0.266 123.269 122.820 0.304 0.000 1.972 107 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 107 A C 2.309 179.905 177.584 0.020 0.000 1.169 107 A CA 1.843 53.924 52.037 0.073 0.000 0.635 107 A CB -0.732 18.199 19.000 -0.116 0.000 0.810 107 A HN 0.510 nan 8.150 nan 0.000 0.446 108 A N -0.387 122.458 122.820 0.041 0.000 1.929 108 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 108 A C 1.910 179.514 177.584 0.033 0.000 1.176 108 A CA 1.367 53.417 52.037 0.022 0.000 0.628 108 A CB -0.429 18.584 19.000 0.021 0.000 0.816 108 A HN 0.596 nan 8.150 nan 0.000 0.444 109 E N -0.235 119.998 120.200 0.056 0.000 2.085 109 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 109 E C 2.012 178.645 176.600 0.056 0.000 0.994 109 E CA 1.356 57.790 56.400 0.056 0.000 0.801 109 E CB -0.283 29.459 29.700 0.070 0.000 0.743 109 E HN 0.389 nan 8.360 nan 0.000 0.453 110 V N 1.419 121.380 119.914 0.078 0.000 2.255 110 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 110 V C 2.376 178.486 176.094 0.027 0.000 1.051 110 V CA 2.022 64.364 62.300 0.068 0.000 1.018 110 V CB -0.778 31.098 31.823 0.089 0.000 0.641 110 V HN 0.337 nan 8.190 nan 0.000 0.445 111 A N -0.129 122.695 122.820 0.006 0.000 1.883 111 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 111 A C 2.366 179.951 177.584 0.002 0.000 1.186 111 A CA 2.247 54.280 52.037 -0.006 0.000 0.624 111 A CB -0.847 18.142 19.000 -0.018 0.000 0.822 111 A HN 0.626 nan 8.150 nan 0.000 0.444 112 A N -1.118 121.707 122.820 0.009 0.000 2.067 112 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 112 A C 2.207 179.798 177.584 0.011 0.000 1.158 112 A CA 1.617 53.660 52.037 0.009 0.000 0.661 112 A CB -0.586 18.421 19.000 0.012 0.000 0.801 112 A HN 0.397 nan 8.150 nan 0.000 0.452 113 S N -1.618 114.091 115.700 0.016 0.000 2.607 113 S HA 0.295 4.765 4.470 -0.000 0.000 0.224 113 S C 1.422 176.027 174.600 0.009 0.000 0.969 113 S CA 0.966 59.175 58.200 0.016 0.000 0.927 113 S CB -0.113 63.102 63.200 0.026 0.000 0.772 113 S HN 1.542 nan 8.310 nan 0.000 0.533 114 G N 0.400 109.204 108.800 0.006 0.000 2.159 114 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.227 114 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.227 114 G C 0.044 174.944 174.900 0.000 0.000 0.986 114 G CA -0.099 45.001 45.100 0.001 0.000 0.651 114 G HN 0.380 nan 8.290 nan 0.000 0.523 115 V N 0.902 120.818 119.914 0.004 0.000 2.488 115 V HA 0.448 4.567 4.120 -0.000 0.000 0.277 115 V C 1.510 177.598 176.094 -0.010 0.000 1.046 115 V CA 0.369 62.670 62.300 0.002 0.000 0.986 115 V CB 1.379 33.209 31.823 0.011 0.000 0.989 115 V HN 0.378 nan 8.190 nan 0.000 0.475 116 R N 1.929 122.423 120.500 -0.011 0.000 2.164 116 R HA 0.211 4.551 4.340 -0.000 0.000 0.198 116 R C -0.032 176.254 176.300 -0.023 0.000 1.028 116 R CA 0.525 56.614 56.100 -0.018 0.000 1.083 116 R CB 0.746 31.037 30.300 -0.014 0.000 1.026 116 R HN 0.734 nan 8.270 nan 0.000 0.514 117 T N 0.578 115.122 114.554 -0.016 0.000 2.921 117 T HA 0.290 4.640 4.350 -0.000 0.000 0.297 117 T C -0.974 173.722 174.700 -0.007 0.000 1.013 117 T CA -0.491 61.599 62.100 -0.016 0.000 0.990 117 T CB 2.800 71.661 68.868 -0.011 0.000 1.023 117 T HN -0.230 nan 8.240 nan 0.000 0.447 118 V N 4.828 124.735 119.914 -0.012 0.000 2.322 118 V HA 0.223 4.343 4.120 -0.000 0.000 0.258 118 V C 1.559 177.655 176.094 0.003 0.000 1.074 118 V CA -0.307 61.995 62.300 0.004 0.000 0.909 118 V CB 0.305 32.124 31.823 -0.007 0.000 1.090 118 V HN 0.784 nan 8.190 nan 0.000 0.486 119 R N 2.772 123.282 120.500 0.017 0.000 2.115 119 R HA 0.004 4.344 4.340 -0.000 0.000 0.230 119 R C 1.503 177.817 176.300 0.022 0.000 1.111 119 R CA 1.180 57.290 56.100 0.017 0.000 0.976 119 R CB 0.179 30.493 30.300 0.023 0.000 0.870 119 R HN 0.785 nan 8.270 nan 0.000 0.445 120 G N 0.003 108.826 108.800 0.038 0.000 3.134 120 G HA2 0.110 4.070 3.960 -0.000 0.000 0.158 120 G HA3 0.110 4.070 3.960 -0.000 0.000 0.158 120 G C -0.694 174.204 174.900 -0.004 0.000 1.334 120 G CA -0.473 44.653 45.100 0.044 0.000 1.001 120 G HN -0.020 nan 8.290 nan 0.000 0.600 121 D N -0.112 120.275 120.400 -0.023 0.000 2.217 121 D HA 0.399 5.039 4.640 -0.000 0.000 0.248 121 D C -0.845 175.291 176.300 -0.274 0.000 1.008 121 D CA -0.298 53.572 54.000 -0.217 0.000 0.914 121 D CB 2.669 43.207 40.800 -0.437 0.000 1.182 121 D HN 0.102 nan 8.370 nan 0.000 0.451 122 L N 2.207 123.228 121.223 -0.337 0.000 2.264 122 L HA 0.304 4.644 4.340 -0.000 0.000 0.289 122 L C -1.566 175.047 176.870 -0.428 0.000 1.044 122 L CA -0.346 54.347 54.840 -0.245 0.000 0.807 122 L CB 0.306 42.311 42.059 -0.091 0.000 1.192 122 L HN 0.216 nan 8.230 nan 0.000 0.425 123 Y N 3.659 123.786 120.300 -0.287 0.000 2.377 123 Y HA 0.701 5.251 4.550 -0.000 0.000 0.339 123 Y C 0.328 176.160 175.900 -0.113 0.000 1.011 123 Y CA -0.721 57.207 58.100 -0.286 0.000 1.093 123 Y CB 1.940 40.009 38.460 -0.652 0.000 1.201 123 Y HN 0.722 nan 8.280 nan 0.000 0.455 124 A N 2.617 125.509 122.820 0.120 0.000 2.260 124 A HA 0.336 4.655 4.320 -0.000 0.000 0.312 124 A C -0.875 176.781 177.584 0.120 0.000 1.321 124 A CA -0.490 51.599 52.037 0.087 0.000 0.928 124 A CB -0.017 19.010 19.000 0.045 0.000 1.158 124 A HN 0.643 nan 8.150 nan 0.000 0.542 125 D N 2.890 123.359 120.400 0.114 0.000 2.427 125 D HA 0.274 4.914 4.640 -0.000 0.000 0.226 125 D C -0.617 175.705 176.300 0.037 0.000 1.076 125 D CA -0.317 53.748 54.000 0.107 0.000 0.849 125 D CB 1.109 41.998 40.800 0.149 0.000 1.052 125 D HN 0.520 nan 8.370 nan 0.000 0.515 126 D N 1.329 121.751 120.400 0.036 0.000 2.670 126 D HA -0.023 4.617 4.640 -0.000 0.000 0.255 126 D C 1.046 177.375 176.300 0.048 0.000 1.286 126 D CA -0.266 53.740 54.000 0.009 0.000 0.830 126 D CB -0.146 40.657 40.800 0.005 0.000 1.065 126 D HN 0.244 nan 8.370 nan 0.000 0.486 127 T N -4.603 109.993 114.554 0.068 0.000 3.148 127 T HA -0.089 4.261 4.350 -0.000 0.000 0.253 127 T C 1.359 176.140 174.700 0.136 0.000 1.134 127 T CA -0.309 61.837 62.100 0.078 0.000 1.051 127 T CB -0.739 68.153 68.868 0.039 0.000 0.959 127 T HN 0.417 nan 8.240 nan 0.000 0.525 128 W N 1.316 122.576 121.300 -0.066 0.000 2.374 128 W HA 0.138 4.798 4.660 0.000 0.000 0.288 128 W C -0.387 176.226 176.519 0.157 0.000 1.218 128 W CA 0.211 57.530 57.345 -0.044 0.000 1.245 128 W CB -0.041 29.307 29.460 -0.188 0.000 1.126 128 W HN 0.240 nan 8.180 nan 0.000 0.545 129 F N 1.495 121.438 119.950 -0.012 0.000 2.541 129 F HA 0.102 4.629 4.527 -0.000 0.000 0.331 129 F C 0.780 176.502 175.800 -0.129 0.000 1.057 129 F CA -1.535 56.371 58.000 -0.156 0.000 0.975 129 F CB 0.744 39.659 39.000 -0.141 0.000 1.246 129 F HN -0.245 nan 8.300 nan 0.000 0.484 130 D N -0.649 119.759 120.400 0.013 0.000 2.393 130 D HA -0.007 4.633 4.640 -0.000 0.000 0.246 130 D C 0.422 176.726 176.300 0.007 0.000 1.275 130 D CA -0.416 53.572 54.000 -0.020 0.000 0.979 130 D CB 0.623 41.382 40.800 -0.069 0.000 1.101 130 D HN 0.391 nan 8.370 nan 0.000 0.505 131 S N -2.216 113.492 115.700 0.013 0.000 2.618 131 S HA 0.067 4.536 4.470 -0.000 0.000 0.242 131 S C 0.261 174.886 174.600 0.041 0.000 0.972 131 S CA -0.705 57.516 58.200 0.035 0.000 1.004 131 S CB -0.617 62.607 63.200 0.040 0.000 0.778 131 S HN 0.518 nan 8.310 nan 0.000 0.459 132 E N 1.488 121.705 120.200 0.027 0.000 2.052 132 E HA 0.233 4.582 4.350 -0.000 0.000 0.283 132 E C 0.532 177.224 176.600 0.154 0.000 1.071 132 E CA -0.537 55.923 56.400 0.099 0.000 0.851 132 E CB 0.397 30.189 29.700 0.152 0.000 1.066 132 E HN 0.224 nan 8.360 nan 0.000 0.396 133 R N 2.742 123.346 120.500 0.174 0.000 2.173 133 R HA 0.221 4.561 4.340 -0.000 0.000 0.208 133 R C 0.269 176.757 176.300 0.313 0.000 1.035 133 R CA 0.508 56.730 56.100 0.203 0.000 1.004 133 R CB 0.010 30.405 30.300 0.158 0.000 0.917 133 R HN 0.445 nan 8.270 nan 0.000 0.462 134 L N -0.267 121.072 121.223 0.195 0.000 2.434 134 L HA 0.388 4.728 4.340 -0.000 0.000 0.260 134 L C -0.521 175.960 176.870 -0.650 0.000 0.983 134 L CA -1.041 53.723 54.840 -0.126 0.000 0.820 134 L CB 2.736 44.867 42.059 0.121 0.000 1.361 134 L HN -0.370 nan 8.230 nan 0.000 0.410 135 V N 1.236 120.109 119.914 -1.736 0.000 2.637 135 V HA -0.013 4.107 4.120 -0.000 0.000 0.296 135 V C 0.757 176.368 176.094 -0.804 0.000 1.046 135 V CA 0.073 61.393 62.300 -1.634 0.000 1.066 135 V CB 1.057 31.523 31.823 -2.260 0.000 0.968 135 V HN 0.780 nan 8.190 nan 0.000 0.483 136 D N 3.284 123.394 120.400 -0.483 0.000 2.154 136 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 136 D C 1.669 177.903 176.300 -0.111 0.000 1.003 136 D CA 2.176 56.046 54.000 -0.217 0.000 0.849 136 D CB -0.097 40.609 40.800 -0.157 0.000 0.942 136 D HN 0.936 nan 8.370 nan 0.000 0.446 137 D N -1.130 119.194 120.400 -0.127 0.000 2.340 137 D HA -0.113 4.527 4.640 -0.000 0.000 0.220 137 D C 0.361 176.753 176.300 0.153 0.000 1.039 137 D CA -0.245 53.770 54.000 0.026 0.000 0.866 137 D CB -0.575 40.227 40.800 0.003 0.000 0.913 137 D HN 0.122 nan 8.370 nan 0.000 0.523 138 W N 1.015 122.254 121.300 -0.101 0.000 2.187 138 W HA 0.127 4.786 4.660 -0.000 0.000 0.348 138 W C 0.633 177.215 176.519 0.105 0.000 1.282 138 W CA -1.030 56.257 57.345 -0.097 0.000 1.271 138 W CB -0.105 29.312 29.460 -0.072 0.000 1.170 138 W HN -0.034 nan 8.180 nan 0.000 0.583 139 W N 3.540 124.974 121.300 0.224 0.000 2.316 139 W HA 0.199 4.858 4.660 -0.000 0.000 0.311 139 W C -1.203 175.392 176.519 0.127 0.000 1.217 139 W CA -2.662 54.765 57.345 0.136 0.000 1.199 139 W CB -0.165 29.355 29.460 0.100 0.000 1.202 139 W HN 0.200 nan 8.180 nan 0.000 0.528 140 P HA -0.184 nan 4.420 nan 0.000 0.218 140 P C 1.082 178.468 177.300 0.144 0.000 1.149 140 P CA 1.692 64.900 63.100 0.180 0.000 0.817 140 P CB 0.493 32.264 31.700 0.118 0.000 0.785 141 E N -0.583 119.719 120.200 0.170 0.000 2.265 141 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 141 E C 1.346 178.093 176.600 0.245 0.000 0.996 141 E CA 1.012 57.508 56.400 0.161 0.000 0.832 141 E CB -0.690 29.083 29.700 0.123 0.000 0.756 141 E HN 0.289 nan 8.360 nan 0.000 0.491 142 D N -0.135 120.430 120.400 0.277 0.000 2.348 142 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 142 D C 1.148 177.442 176.300 -0.009 0.000 0.998 142 D CA 0.249 54.402 54.000 0.255 0.000 0.873 142 D CB 0.102 41.045 40.800 0.239 0.000 0.925 142 D HN 0.282 nan 8.370 nan 0.000 0.524 143 E N 0.495 120.680 120.200 -0.024 0.000 2.153 143 E HA -0.134 4.215 4.350 -0.000 0.000 0.194 143 E C -0.825 175.639 176.600 -0.227 0.000 0.988 143 E CA 0.761 57.113 56.400 -0.081 0.000 0.811 143 E CB -0.494 29.211 29.700 0.008 0.000 0.746 143 E HN 0.291 nan 8.360 nan 0.000 0.466 144 P HA -0.123 nan 4.420 nan 0.000 0.222 144 P C -0.456 176.462 177.300 -0.636 0.000 1.147 144 P CA 1.116 63.856 63.100 -0.600 0.000 0.790 144 P CB 0.004 31.173 31.700 -0.884 0.000 0.780 145 Y N -1.603 118.555 120.300 -0.237 0.000 2.352 145 Y HA 0.475 5.025 4.550 -0.000 0.000 0.326 145 Y C 1.925 177.611 175.900 -0.358 0.000 1.166 145 Y CA -1.002 56.914 58.100 -0.307 0.000 1.182 145 Y CB 0.436 38.650 38.460 -0.410 0.000 1.216 145 Y HN -0.213 nan 8.280 nan 0.000 0.474 146 A N 2.403 125.220 122.820 -0.005 0.000 1.997 146 A HA -0.291 4.029 4.320 -0.000 0.000 0.221 146 A C 1.715 179.300 177.584 0.002 0.000 1.172 146 A CA 2.232 54.274 52.037 0.008 0.000 0.645 146 A CB -1.364 17.675 19.000 0.065 0.000 0.813 146 A HN 0.967 nan 8.150 nan 0.000 0.454 147 Y N -2.009 118.314 120.300 0.039 0.000 2.616 147 Y HA 0.254 4.804 4.550 -0.000 0.000 0.296 147 Y C 1.624 177.459 175.900 -0.109 0.000 1.154 147 Y CA 0.869 58.951 58.100 -0.030 0.000 1.325 147 Y CB -0.461 37.968 38.460 -0.052 0.000 1.007 147 Y HN 0.191 nan 8.280 nan 0.000 0.542 148 S N 0.561 116.038 115.700 -0.373 0.000 2.711 148 S HA 0.635 5.105 4.470 -0.000 0.000 0.247 148 S C 0.412 174.977 174.600 -0.057 0.000 1.079 148 S CA -0.322 57.697 58.200 -0.301 0.000 1.050 148 S CB -1.069 61.907 63.200 -0.373 0.000 0.885 148 S HN 0.602 nan 8.310 nan 0.000 0.498 149 A N 1.533 124.358 122.820 0.009 0.000 2.520 149 A HA 0.279 4.599 4.320 -0.000 0.000 0.235 149 A C 0.461 178.170 177.584 0.208 0.000 1.065 149 A CA 0.175 52.266 52.037 0.090 0.000 0.764 149 A CB 0.084 19.142 19.000 0.097 0.000 1.002 149 A HN 0.734 nan 8.150 nan 0.000 0.502 150 Q N 0.385 120.299 119.800 0.191 0.000 2.364 150 Q HA 0.203 4.543 4.340 -0.000 0.000 0.267 150 Q C -0.414 175.722 176.000 0.226 0.000 0.999 150 Q CA -0.007 55.935 55.803 0.231 0.000 0.886 150 Q CB 0.563 29.401 28.738 0.166 0.000 1.243 150 Q HN 0.547 nan 8.270 nan 0.000 0.415 151 I N 1.517 122.236 120.570 0.248 0.000 2.331 151 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 151 I C 0.132 176.329 176.117 0.134 0.000 0.998 151 I CA 0.150 61.563 61.300 0.188 0.000 1.267 151 I CB 0.999 39.081 38.000 0.136 0.000 1.386 151 I HN 0.471 nan 8.210 nan 0.000 0.476 152 S N 3.565 119.362 115.700 0.161 0.000 2.541 152 S HA 0.664 5.134 4.470 -0.000 0.000 0.271 152 S C 0.681 175.332 174.600 0.085 0.000 1.133 152 S CA 0.022 58.303 58.200 0.136 0.000 0.876 152 S CB 1.830 65.074 63.200 0.072 0.000 1.105 152 S HN 0.697 nan 8.310 nan 0.000 0.470 153 A N 3.222 125.976 122.820 -0.110 0.000 1.972 153 A HA 0.191 4.511 4.320 -0.000 0.000 0.219 153 A C 0.861 178.267 177.584 -0.297 0.000 1.169 153 A CA 0.920 52.602 52.037 -0.592 0.000 0.635 153 A CB -0.337 18.324 19.000 -0.565 0.000 0.810 153 A HN 0.729 nan 8.150 nan 0.000 0.446 154 L N 0.671 121.808 121.223 -0.142 0.000 2.301 154 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 154 L C -0.788 176.052 176.870 -0.050 0.000 1.022 154 L CA -0.048 54.731 54.840 -0.101 0.000 0.854 154 L CB 1.310 43.323 42.059 -0.077 0.000 1.226 154 L HN 0.224 nan 8.230 nan 0.000 0.429 155 T N 3.046 117.576 114.554 -0.041 0.000 2.956 155 T HA 0.439 4.789 4.350 -0.000 0.000 0.312 155 T C -1.009 173.701 174.700 0.018 0.000 1.151 155 T CA -0.296 61.806 62.100 0.004 0.000 1.024 155 T CB 1.851 70.744 68.868 0.042 0.000 1.140 155 T HN 0.136 nan 8.240 nan 0.000 0.473 156 V N 4.042 123.978 119.914 0.037 0.000 2.432 156 V HA 0.665 4.785 4.120 -0.000 0.000 0.271 156 V C 0.751 176.922 176.094 0.128 0.000 1.046 156 V CA -0.541 61.799 62.300 0.066 0.000 0.945 156 V CB 0.840 32.697 31.823 0.057 0.000 0.992 156 V HN 1.066 nan 8.190 nan 0.000 0.471 157 A N 4.081 127.006 122.820 0.175 0.000 2.301 157 A HA 0.558 4.878 4.320 -0.000 0.000 0.298 157 A C -0.451 177.298 177.584 0.273 0.000 1.185 157 A CA -0.341 51.862 52.037 0.276 0.000 0.830 157 A CB 0.037 19.280 19.000 0.405 0.000 1.112 157 A HN 0.980 nan 8.150 nan 0.000 0.508 158 H N 1.513 120.665 119.070 0.136 0.000 2.489 158 H HA 0.532 5.088 4.556 -0.000 0.000 0.322 158 H C 0.827 176.144 175.328 -0.019 0.000 1.091 158 H CA 1.184 57.266 56.048 0.057 0.000 1.291 158 H CB 0.899 30.684 29.762 0.037 0.000 1.436 158 H HN 1.523 nan 8.280 nan 0.000 0.480 159 G N 3.608 112.070 108.800 -0.564 0.000 2.750 159 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.228 159 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.228 159 G C 0.864 175.441 174.900 -0.538 0.000 1.367 159 G CA 0.229 45.031 45.100 -0.497 0.000 0.871 159 G HN 0.831 nan 8.290 nan 0.000 0.560 160 E N -0.417 119.521 120.200 -0.437 0.000 2.285 160 E HA 0.016 4.365 4.350 -0.000 0.000 0.194 160 E C 2.139 178.482 176.600 -0.429 0.000 0.997 160 E CA 0.956 57.049 56.400 -0.512 0.000 0.845 160 E CB 0.008 29.618 29.700 -0.150 0.000 0.782 160 E HN 0.565 nan 8.360 nan 0.000 0.491 161 R N -0.118 120.226 120.500 -0.261 0.000 2.297 161 R HA 0.122 4.462 4.340 -0.000 0.000 0.197 161 R C -0.301 176.068 176.300 0.115 0.000 0.943 161 R CA 0.191 56.223 56.100 -0.114 0.000 1.038 161 R CB -0.302 29.738 30.300 -0.435 0.000 0.957 161 R HN 0.109 nan 8.270 nan 0.000 0.484 162 F N 1.470 121.512 119.950 0.154 0.000 2.985 162 F HA -0.213 4.314 4.527 -0.000 0.000 0.303 162 F C -0.727 175.174 175.800 0.167 0.000 0.976 162 F CA 0.106 58.231 58.000 0.209 0.000 1.013 162 F CB -1.481 37.733 39.000 0.356 0.000 1.060 162 F HN 0.079 nan 8.300 nan 0.000 0.780 163 D N 1.464 121.993 120.400 0.216 0.000 2.339 163 D HA 0.185 4.825 4.640 -0.000 0.000 0.256 163 D C 0.841 177.257 176.300 0.194 0.000 1.214 163 D CA 0.392 54.484 54.000 0.153 0.000 0.877 163 D CB 1.124 41.987 40.800 0.106 0.000 1.111 163 D HN 0.329 nan 8.370 nan 0.000 0.478 164 T N -1.556 113.108 114.554 0.182 0.000 2.913 164 T HA 0.478 4.828 4.350 -0.000 0.000 0.287 164 T C 1.203 175.978 174.700 0.125 0.000 1.008 164 T CA -0.142 62.062 62.100 0.173 0.000 1.067 164 T CB 1.653 70.633 68.868 0.187 0.000 0.996 164 T HN 0.535 nan 8.240 nan 0.000 0.513 165 G N 0.519 109.383 108.800 0.106 0.000 2.179 165 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.257 165 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.257 165 G C 0.078 175.017 174.900 0.064 0.000 1.010 165 G CA 0.283 45.434 45.100 0.085 0.000 0.736 165 G HN 1.846 nan 8.290 nan 0.000 0.513 166 V N -3.854 116.092 119.914 0.054 0.000 3.074 166 V HA 0.981 5.101 4.120 -0.000 0.000 0.314 166 V C 0.018 176.103 176.094 -0.015 0.000 1.117 166 V CA -0.218 62.088 62.300 0.010 0.000 1.014 166 V CB 2.067 33.881 31.823 -0.015 0.000 1.057 166 V HN 0.684 nan 8.190 nan 0.000 0.438 167 T N 0.591 115.114 114.554 -0.051 0.000 2.893 167 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 167 T C -0.808 173.795 174.700 -0.161 0.000 1.028 167 T CA -0.381 61.673 62.100 -0.075 0.000 0.995 167 T CB 1.638 70.507 68.868 0.003 0.000 1.051 167 T HN 1.036 nan 8.240 nan 0.000 0.470 168 E N 3.052 123.118 120.200 -0.222 0.000 2.152 168 E HA 0.420 4.770 4.350 -0.000 0.000 0.285 168 E C -0.902 175.658 176.600 -0.066 0.000 1.043 168 E CA -0.471 55.813 56.400 -0.194 0.000 0.839 168 E CB 0.643 30.214 29.700 -0.215 0.000 1.069 168 E HN 0.362 nan 8.360 nan 0.000 0.399 169 V N 4.261 124.147 119.914 -0.046 0.000 2.407 169 V HA 0.233 4.353 4.120 -0.000 0.000 0.278 169 V C -0.211 175.880 176.094 -0.004 0.000 1.037 169 V CA -0.545 61.745 62.300 -0.016 0.000 0.900 169 V CB 1.377 33.192 31.823 -0.014 0.000 0.983 169 V HN 0.665 nan 8.190 nan 0.000 0.459 170 S N 4.116 119.818 115.700 0.004 0.000 2.482 170 S HA 0.823 5.293 4.470 -0.000 0.000 0.303 170 S C -0.744 173.862 174.600 0.009 0.000 1.091 170 S CA -0.817 57.389 58.200 0.009 0.000 1.057 170 S CB 1.983 65.191 63.200 0.014 0.000 1.031 170 S HN 0.385 nan 8.310 nan 0.000 0.485 171 V N 2.543 122.463 119.914 0.010 0.000 2.483 171 V HA 0.682 4.802 4.120 -0.000 0.000 0.297 171 V C 0.038 176.138 176.094 0.010 0.000 1.027 171 V CA -0.591 61.715 62.300 0.009 0.000 0.855 171 V CB 1.538 33.367 31.823 0.009 0.000 0.995 171 V HN 1.109 nan 8.190 nan 0.000 0.424 172 T N 3.100 117.659 114.554 0.009 0.000 2.856 172 T HA 0.685 5.035 4.350 -0.000 0.000 0.283 172 T C -2.942 171.762 174.700 0.007 0.000 1.008 172 T CA -2.452 59.653 62.100 0.009 0.000 0.997 172 T CB 2.367 71.240 68.868 0.009 0.000 0.992 172 T HN 0.441 nan 8.240 nan 0.000 0.454 173 P HA 0.380 nan 4.420 nan 0.000 0.276 173 P C 0.111 177.414 177.300 0.005 0.000 1.235 173 P CA -0.334 62.769 63.100 0.006 0.000 0.772 173 P CB 1.012 32.715 31.700 0.006 0.000 0.871 174 A N 4.081 126.904 122.820 0.005 0.000 3.720 174 A HA 0.637 4.956 4.320 -0.000 0.000 0.157 174 A C 0.567 178.154 177.584 0.004 0.000 1.736 174 A CA 0.357 52.396 52.037 0.004 0.000 1.289 174 A CB -0.818 18.184 19.000 0.004 0.000 1.598 174 A HN 0.610 nan 8.150 nan 0.000 0.692 175 A N -1.096 121.726 122.820 0.003 0.000 2.322 175 A HA 0.560 4.880 4.320 -0.000 0.000 0.327 175 A C -0.029 177.557 177.584 0.003 0.000 1.134 175 A CA -0.376 51.663 52.037 0.003 0.000 0.831 175 A CB 0.319 19.320 19.000 0.003 0.000 1.288 175 A HN 0.708 nan 8.150 nan 0.000 0.472 176 E N 0.060 120.261 120.200 0.002 0.000 2.652 176 E HA 0.236 4.586 4.350 -0.000 0.000 0.255 176 E C 1.213 177.814 176.600 0.002 0.000 0.952 176 E CA 1.299 57.700 56.400 0.002 0.000 0.947 176 E CB -0.104 29.597 29.700 0.002 0.000 0.912 176 E HN 1.625 nan 8.360 nan 0.000 0.489 177 G N 3.809 112.610 108.800 0.002 0.000 2.225 177 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 177 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 177 G C 0.020 174.921 174.900 0.001 0.000 0.988 177 G CA 0.324 45.425 45.100 0.001 0.000 0.625 177 G HN 0.619 nan 8.290 nan 0.000 0.527 178 E N 1.671 121.872 120.200 0.002 0.000 2.390 178 E HA 0.324 4.674 4.350 -0.000 0.000 0.261 178 E C -2.336 174.265 176.600 0.002 0.000 1.076 178 E CA -1.705 54.696 56.400 0.002 0.000 0.905 178 E CB 0.537 30.239 29.700 0.002 0.000 0.984 178 E HN 0.159 nan 8.360 nan 0.000 0.427 179 P HA -0.058 nan 4.420 nan 0.000 0.265 179 P C -0.787 176.514 177.300 0.002 0.000 1.187 179 P CA 0.353 63.454 63.100 0.001 0.000 0.766 179 P CB 0.449 32.150 31.700 0.000 0.000 0.820 180 A N 2.765 125.587 122.820 0.003 0.000 2.407 180 A HA 0.182 4.502 4.320 -0.000 0.000 0.248 180 A C 0.071 177.657 177.584 0.004 0.000 1.082 180 A CA -0.147 51.892 52.037 0.004 0.000 0.785 180 A CB -0.085 18.918 19.000 0.005 0.000 1.020 180 A HN 0.430 nan 8.150 nan 0.000 0.489 181 D N 1.419 121.822 120.400 0.005 0.000 2.313 181 D HA 0.405 5.045 4.640 -0.000 0.000 0.239 181 D C -0.649 175.654 176.300 0.006 0.000 1.142 181 D CA 0.225 54.228 54.000 0.005 0.000 0.847 181 D CB 1.463 42.267 40.800 0.006 0.000 1.082 181 D HN 0.144 nan 8.370 nan 0.000 0.480 182 V N 2.750 122.667 119.914 0.005 0.000 2.435 182 V HA 0.242 4.361 4.120 -0.000 0.000 0.290 182 V C -0.008 176.091 176.094 0.008 0.000 1.030 182 V CA -0.765 61.538 62.300 0.005 0.000 0.881 182 V CB 1.941 33.765 31.823 0.002 0.000 0.983 182 V HN 0.426 nan 8.190 nan 0.000 0.445 183 D N 3.057 123.464 120.400 0.010 0.000 2.391 183 D HA 0.453 5.093 4.640 -0.000 0.000 0.245 183 D C 0.560 176.869 176.300 0.015 0.000 1.069 183 D CA -0.515 53.495 54.000 0.015 0.000 0.831 183 D CB 1.685 42.496 40.800 0.019 0.000 1.204 183 D HN 0.416 nan 8.370 nan 0.000 0.503 184 L N 3.375 124.610 121.223 0.020 0.000 2.591 184 L HA 0.320 4.660 4.340 -0.000 0.000 0.228 184 L C 1.594 178.482 176.870 0.029 0.000 1.133 184 L CA 0.298 55.149 54.840 0.019 0.000 0.880 184 L CB -0.991 41.081 42.059 0.021 0.000 1.033 184 L HN 0.817 nan 8.230 nan 0.000 0.450 185 G N 0.785 109.607 108.800 0.036 0.000 2.531 185 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.274 185 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.274 185 G C 0.912 175.856 174.900 0.074 0.000 1.159 185 G CA 0.348 45.475 45.100 0.045 0.000 0.969 185 G HN 0.261 nan 8.290 nan 0.000 0.554 186 A N -0.338 122.532 122.820 0.082 0.000 2.024 186 A HA 0.319 4.639 4.320 -0.000 0.000 0.220 186 A C 2.795 180.481 177.584 0.171 0.000 1.164 186 A CA 3.187 55.292 52.037 0.115 0.000 0.643 186 A CB -0.814 18.250 19.000 0.105 0.000 0.806 186 A HN 2.320 nan 8.150 nan 0.000 0.451 187 A N -0.444 122.460 122.820 0.139 0.000 2.235 187 A HA 0.133 4.453 4.320 -0.000 0.000 0.208 187 A C 0.551 178.215 177.584 0.132 0.000 1.172 187 A CA -0.076 52.063 52.037 0.170 0.000 0.786 187 A CB -0.196 18.890 19.000 0.144 0.000 0.804 187 A HN 0.400 nan 8.150 nan 0.000 0.479 188 E N -0.183 120.103 120.200 0.143 0.000 2.493 188 E HA 0.252 4.602 4.350 -0.000 0.000 0.255 188 E C 1.224 177.944 176.600 0.201 0.000 0.999 188 E CA 1.092 57.568 56.400 0.127 0.000 0.934 188 E CB 0.314 30.081 29.700 0.112 0.000 0.940 188 E HN 0.655 nan 8.360 nan 0.000 0.473 189 G N 3.179 112.032 108.800 0.088 0.000 2.179 189 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 189 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 189 G C 0.518 175.305 174.900 -0.188 0.000 0.977 189 G CA 0.718 45.862 45.100 0.073 0.000 0.641 189 G HN 0.602 nan 8.290 nan 0.000 0.533 190 Y N 0.648 120.669 120.300 -0.466 0.000 2.583 190 Y HA 0.711 5.261 4.550 -0.000 0.000 0.270 190 Y C 1.752 177.516 175.900 -0.227 0.000 1.113 190 Y CA 1.368 59.146 58.100 -0.536 0.000 1.307 190 Y CB -0.214 37.848 38.460 -0.663 0.000 1.369 190 Y HN 0.640 nan 8.280 nan 0.000 0.506 191 A N 1.513 124.150 122.820 -0.305 0.000 2.322 191 A HA 0.333 4.653 4.320 -0.000 0.000 0.269 191 A C -0.366 177.110 177.584 -0.180 0.000 1.094 191 A CA -0.440 51.419 52.037 -0.296 0.000 0.807 191 A CB -0.024 18.904 19.000 -0.120 0.000 1.047 191 A HN 0.546 nan 8.150 nan 0.000 0.487 192 E N -0.163 119.939 120.200 -0.164 0.000 2.301 192 E HA 0.378 4.728 4.350 -0.000 0.000 0.275 192 E C -1.017 175.541 176.600 -0.071 0.000 1.030 192 E CA -0.547 55.790 56.400 -0.105 0.000 0.852 192 E CB 1.424 31.063 29.700 -0.101 0.000 1.060 192 E HN 0.471 nan 8.360 nan 0.000 0.401 193 L N 2.657 123.850 121.223 -0.050 0.000 2.289 193 L HA 0.308 4.648 4.340 -0.000 0.000 0.285 193 L C -0.872 175.979 176.870 -0.031 0.000 1.049 193 L CA -0.069 54.750 54.840 -0.035 0.000 0.804 193 L CB 1.293 43.339 42.059 -0.022 0.000 1.195 193 L HN 0.358 nan 8.230 nan 0.000 0.428 194 D N 3.143 123.526 120.400 -0.028 0.000 2.412 194 D HA 0.170 4.810 4.640 -0.000 0.000 0.276 194 D C -0.924 175.366 176.300 -0.017 0.000 1.196 194 D CA -0.286 53.700 54.000 -0.023 0.000 0.905 194 D CB 0.186 40.971 40.800 -0.026 0.000 1.081 194 D HN 0.455 nan 8.370 nan 0.000 0.502 195 N N 2.162 120.855 118.700 -0.013 0.000 2.439 195 N HA 0.155 4.895 4.740 -0.000 0.000 0.243 195 N C 0.096 175.602 175.510 -0.007 0.000 1.088 195 N CA 0.013 53.058 53.050 -0.008 0.000 0.940 195 N CB 0.285 38.768 38.487 -0.006 0.000 1.180 195 N HN 0.225 nan 8.380 nan 0.000 0.505 196 R N 1.481 121.977 120.500 -0.006 0.000 2.586 196 R HA 0.397 4.737 4.340 -0.000 0.000 0.336 196 R C -0.234 176.065 176.300 -0.002 0.000 1.060 196 R CA -0.304 55.794 56.100 -0.004 0.000 1.079 196 R CB 0.643 30.939 30.300 -0.005 0.000 1.317 196 R HN 0.437 nan 8.270 nan 0.000 0.568 197 A N 0.589 123.408 122.820 -0.000 0.000 2.304 197 A HA 0.575 4.895 4.320 -0.000 0.000 0.301 197 A C 0.115 177.700 177.584 0.002 0.000 1.132 197 A CA -0.562 51.476 52.037 0.002 0.000 0.819 197 A CB 0.713 19.715 19.000 0.003 0.000 1.094 197 A HN 0.102 nan 8.150 nan 0.000 0.492 198 V N -0.764 119.152 119.914 0.003 0.000 2.919 198 V HA 0.763 4.882 4.120 -0.000 0.000 0.316 198 V C 0.073 176.169 176.094 0.004 0.000 1.077 198 V CA -0.668 61.633 62.300 0.003 0.000 0.977 198 V CB 1.355 33.179 31.823 0.002 0.000 1.039 198 V HN 0.770 nan 8.190 nan 0.000 0.441 199 T N 2.477 117.033 114.554 0.003 0.000 2.780 199 T HA 0.600 4.949 4.350 -0.000 0.000 0.294 199 T C 0.484 175.186 174.700 0.003 0.000 0.949 199 T CA 0.433 62.536 62.100 0.004 0.000 1.074 199 T CB 0.908 69.778 68.868 0.003 0.000 0.910 199 T HN 1.257 nan 8.240 nan 0.000 0.501 200 G N 1.269 110.071 108.800 0.004 0.000 2.488 200 G HA2 0.606 4.566 3.960 -0.000 0.000 0.318 200 G HA3 0.606 4.566 3.960 -0.000 0.000 0.318 200 G C -0.055 174.847 174.900 0.003 0.000 1.188 200 G CA -0.953 44.149 45.100 0.003 0.000 0.944 200 G HN 0.990 nan 8.290 nan 0.000 0.495 201 A N -0.164 122.657 122.820 0.003 0.000 2.520 201 A HA 0.534 4.854 4.320 -0.000 0.000 0.235 201 A C 1.152 178.738 177.584 0.003 0.000 1.065 201 A CA 0.444 52.483 52.037 0.003 0.000 0.764 201 A CB -0.232 18.770 19.000 0.002 0.000 1.002 201 A HN 2.006 nan 8.150 nan 0.000 0.502 202 A N 1.329 124.150 122.820 0.003 0.000 2.567 202 A HA 0.462 4.782 4.320 -0.000 0.000 0.240 202 A C 1.649 179.235 177.584 0.003 0.000 1.053 202 A CA 0.884 52.922 52.037 0.003 0.000 0.755 202 A CB -0.856 18.145 19.000 0.003 0.000 0.978 202 A HN 2.804 nan 8.150 nan 0.000 0.507 203 G N 1.565 110.367 108.800 0.003 0.000 2.143 203 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.249 203 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.249 203 G C 0.501 175.403 174.900 0.003 0.000 0.981 203 G CA 0.937 46.039 45.100 0.003 0.000 0.665 203 G HN 2.156 nan 8.290 nan 0.000 0.528 204 S N -0.383 115.319 115.700 0.003 0.000 2.693 204 S HA 0.846 5.316 4.470 -0.000 0.000 0.276 204 S C 0.700 175.303 174.600 0.004 0.000 1.192 204 S CA 0.328 58.530 58.200 0.003 0.000 0.994 204 S CB 1.945 65.147 63.200 0.003 0.000 1.012 204 S HN 1.890 nan 8.310 nan 0.000 0.550 205 A N 1.437 124.259 122.820 0.004 0.000 2.407 205 A HA 0.336 4.656 4.320 -0.000 0.000 0.248 205 A C 0.418 178.005 177.584 0.005 0.000 1.082 205 A CA -0.518 51.522 52.037 0.004 0.000 0.785 205 A CB -0.373 18.630 19.000 0.004 0.000 1.020 205 A HN 0.811 nan 8.150 nan 0.000 0.489 206 N N 1.553 120.257 118.700 0.006 0.000 2.439 206 N HA 0.113 4.853 4.740 -0.000 0.000 0.243 206 N C 0.599 176.114 175.510 0.009 0.000 1.088 206 N CA 0.552 53.607 53.050 0.008 0.000 0.940 206 N CB 0.590 39.082 38.487 0.008 0.000 1.180 206 N HN 0.641 nan 8.380 nan 0.000 0.505 207 T N 1.003 115.563 114.554 0.009 0.000 3.176 207 T HA 0.165 4.514 4.350 -0.000 0.000 0.263 207 T C 0.733 175.442 174.700 0.014 0.000 1.021 207 T CA -0.532 61.575 62.100 0.011 0.000 0.905 207 T CB -0.230 68.643 68.868 0.009 0.000 1.057 207 T HN 0.248 nan 8.240 nan 0.000 0.558 208 L N 2.523 123.755 121.223 0.015 0.000 2.499 208 L HA 0.424 4.764 4.340 -0.000 0.000 0.273 208 L C -0.568 176.318 176.870 0.026 0.000 1.195 208 L CA 0.200 55.050 54.840 0.018 0.000 0.882 208 L CB 0.638 42.707 42.059 0.017 0.000 1.133 208 L HN 0.121 nan 8.230 nan 0.000 0.483 209 V N 6.836 126.766 119.914 0.028 0.000 2.540 209 V HA 0.457 4.577 4.120 -0.000 0.000 0.302 209 V C -0.134 175.981 176.094 0.036 0.000 1.035 209 V CA -0.496 61.829 62.300 0.041 0.000 0.873 209 V CB 1.836 33.683 31.823 0.040 0.000 0.992 209 V HN 0.562 nan 8.190 nan 0.000 0.428 210 I N 4.033 124.633 120.570 0.051 0.000 2.382 210 I HA 0.485 4.655 4.170 -0.000 0.000 0.285 210 I C -0.757 175.366 176.117 0.010 0.000 1.007 210 I CA -0.132 61.185 61.300 0.028 0.000 1.142 210 I CB 1.615 39.631 38.000 0.027 0.000 1.289 210 I HN 0.545 nan 8.210 nan 0.000 0.453 211 D N 5.102 125.486 120.400 -0.026 0.000 2.423 211 D HA 0.451 5.091 4.640 -0.000 0.000 0.235 211 D C -0.829 175.411 176.300 -0.099 0.000 1.011 211 D CA -0.766 53.191 54.000 -0.071 0.000 0.963 211 D CB 2.150 42.929 40.800 -0.034 0.000 1.349 211 D HN 0.375 nan 8.370 nan 0.000 0.508 212 R N 2.144 122.559 120.500 -0.142 0.000 2.412 212 R HA 0.437 4.777 4.340 -0.000 0.000 0.304 212 R C -2.518 173.727 176.300 -0.090 0.000 1.066 212 R CA -1.690 54.344 56.100 -0.110 0.000 0.923 212 R CB 1.234 31.461 30.300 -0.122 0.000 1.156 212 R HN 0.230 nan 8.270 nan 0.000 0.513 213 P HA -0.137 nan 4.420 nan 0.000 0.265 213 P C -0.238 177.040 177.300 -0.038 0.000 1.187 213 P CA -0.149 62.925 63.100 -0.043 0.000 0.766 213 P CB 0.660 32.340 31.700 -0.034 0.000 0.820 214 V N 3.744 123.643 119.914 -0.024 0.000 2.617 214 V HA 0.216 4.336 4.120 -0.000 0.000 0.304 214 V C 1.466 177.555 176.094 -0.007 0.000 1.040 214 V CA 1.927 64.221 62.300 -0.010 0.000 1.149 214 V CB -0.525 31.302 31.823 0.007 0.000 0.914 214 V HN 0.997 nan 8.190 nan 0.000 0.487 215 G N 3.712 112.512 108.800 -0.001 0.000 2.162 215 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 215 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 215 G C 0.312 175.204 174.900 -0.013 0.000 0.976 215 G CA 0.834 45.934 45.100 0.000 0.000 0.655 215 G HN 1.698 nan 8.290 nan 0.000 0.533 216 T N -2.847 111.692 114.554 -0.026 0.000 2.942 216 T HA 0.636 4.986 4.350 -0.000 0.000 0.289 216 T C 0.090 174.755 174.700 -0.057 0.000 1.044 216 T CA -0.159 61.915 62.100 -0.043 0.000 1.023 216 T CB 2.035 70.874 68.868 -0.047 0.000 1.123 216 T HN 0.154 nan 8.240 nan 0.000 0.512 217 N N 0.426 119.072 118.700 -0.089 0.000 2.671 217 N HA 0.293 5.033 4.740 -0.000 0.000 0.303 217 N C -1.064 174.364 175.510 -0.137 0.000 1.351 217 N CA -0.325 52.648 53.050 -0.128 0.000 0.991 217 N CB 0.111 38.465 38.487 -0.221 0.000 1.307 217 N HN 0.671 nan 8.380 nan 0.000 0.512 218 T N 1.057 115.554 114.554 -0.095 0.000 2.792 218 T HA 0.397 4.747 4.350 -0.000 0.000 0.280 218 T C -0.122 174.537 174.700 -0.068 0.000 0.990 218 T CA -0.526 61.525 62.100 -0.082 0.000 0.960 218 T CB 1.092 69.920 68.868 -0.067 0.000 0.939 218 T HN -0.007 nan 8.240 nan 0.000 0.439 219 I N 3.279 123.813 120.570 -0.060 0.000 2.301 219 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 219 I C 0.558 176.651 176.117 -0.039 0.000 1.046 219 I CA -0.769 60.501 61.300 -0.050 0.000 1.282 219 I CB 0.282 38.258 38.000 -0.040 0.000 1.409 219 I HN 0.665 nan 8.210 nan 0.000 0.484 220 A N 7.561 130.358 122.820 -0.038 0.000 2.249 220 A HA 0.633 4.953 4.320 -0.000 0.000 0.314 220 A C -0.301 177.273 177.584 -0.017 0.000 1.290 220 A CA -0.460 51.561 52.037 -0.027 0.000 0.893 220 A CB 0.651 19.635 19.000 -0.026 0.000 1.165 220 A HN 0.441 nan 8.150 nan 0.000 0.530 221 V N 3.469 123.377 119.914 -0.011 0.000 2.370 221 V HA 0.660 4.780 4.120 -0.000 0.000 0.283 221 V C 0.532 176.626 176.094 -0.001 0.000 1.023 221 V CA 0.019 62.317 62.300 -0.003 0.000 0.857 221 V CB 1.069 32.891 31.823 -0.002 0.000 0.985 221 V HN 1.081 nan 8.190 nan 0.000 0.443 222 T N 1.032 115.589 114.554 0.004 0.000 2.864 222 T HA 0.955 5.304 4.350 -0.000 0.000 0.289 222 T C 0.177 174.883 174.700 0.009 0.000 1.082 222 T CA -0.075 62.029 62.100 0.005 0.000 1.009 222 T CB 1.865 70.736 68.868 0.005 0.000 1.234 222 T HN 1.858 nan 8.240 nan 0.000 0.526 223 G N 0.263 109.068 108.800 0.007 0.000 2.587 223 G HA2 0.232 4.192 3.960 -0.000 0.000 0.212 223 G HA3 0.232 4.192 3.960 -0.000 0.000 0.212 223 G C -0.359 174.545 174.900 0.007 0.000 1.327 223 G CA -0.155 44.950 45.100 0.008 0.000 0.898 223 G HN 1.678 nan 8.290 nan 0.000 0.551 224 S N -1.066 114.639 115.700 0.008 0.000 2.672 224 S HA 0.609 5.079 4.470 -0.000 0.000 0.291 224 S C -1.032 173.572 174.600 0.007 0.000 1.145 224 S CA -0.401 57.803 58.200 0.006 0.000 1.013 224 S CB 1.282 64.485 63.200 0.005 0.000 1.017 224 S HN 1.580 nan 8.310 nan 0.000 0.487 225 L N 7.169 128.396 121.223 0.007 0.000 2.280 225 L HA 0.654 4.994 4.340 -0.000 0.000 0.287 225 L C -2.527 174.347 176.870 0.006 0.000 1.023 225 L CA -1.869 52.976 54.840 0.007 0.000 0.819 225 L CB 1.132 43.196 42.059 0.008 0.000 1.212 225 L HN 0.405 nan 8.230 nan 0.000 0.420 226 P HA 0.115 nan 4.420 nan 0.000 0.269 226 P C -0.044 177.259 177.300 0.005 0.000 1.215 226 P CA 0.012 63.115 63.100 0.005 0.000 0.780 226 P CB 0.779 32.482 31.700 0.005 0.000 0.898 227 A N 2.804 125.627 122.820 0.004 0.000 2.015 227 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 227 A C 1.304 178.891 177.584 0.004 0.000 1.163 227 A CA 1.738 53.778 52.037 0.004 0.000 0.646 227 A CB -1.047 17.955 19.000 0.004 0.000 0.806 227 A HN 0.642 nan 8.150 nan 0.000 0.448 228 D N -0.223 120.180 120.400 0.004 0.000 2.370 228 D HA 0.400 5.040 4.640 -0.000 0.000 0.230 228 D C 0.295 176.598 176.300 0.005 0.000 1.143 228 D CA 0.474 54.476 54.000 0.004 0.000 0.834 228 D CB -0.396 40.406 40.800 0.004 0.000 0.944 228 D HN 0.311 nan 8.370 nan 0.000 0.504 229 A N 0.219 123.042 122.820 0.006 0.000 2.303 229 A HA 0.695 5.015 4.320 -0.000 0.000 0.317 229 A C 0.473 178.061 177.584 0.007 0.000 1.149 229 A CA -0.392 51.649 52.037 0.006 0.000 0.822 229 A CB 0.969 19.973 19.000 0.007 0.000 1.131 229 A HN 0.333 nan 8.150 nan 0.000 0.493 230 A N 2.599 125.423 122.820 0.007 0.000 2.466 230 A HA 0.534 4.854 4.320 -0.000 0.000 0.238 230 A C -2.149 175.440 177.584 0.009 0.000 1.074 230 A CA -0.847 51.195 52.037 0.008 0.000 0.774 230 A CB -0.887 18.118 19.000 0.008 0.000 1.015 230 A HN 0.643 nan 8.150 nan 0.000 0.498 231 P HA 0.164 nan 4.420 nan 0.000 0.266 231 P C -0.692 176.615 177.300 0.012 0.000 1.193 231 P CA 0.007 63.113 63.100 0.011 0.000 0.770 231 P CB 0.317 32.024 31.700 0.012 0.000 0.836 232 V N 3.650 123.572 119.914 0.013 0.000 2.465 232 V HA 0.299 4.419 4.120 -0.000 0.000 0.279 232 V C 0.353 176.456 176.094 0.015 0.000 1.045 232 V CA 0.251 62.560 62.300 0.015 0.000 0.938 232 V CB 1.284 33.117 31.823 0.016 0.000 0.986 232 V HN 0.539 nan 8.190 nan 0.000 0.467 233 T N 4.479 119.042 114.554 0.016 0.000 2.840 233 T HA 0.753 5.103 4.350 -0.000 0.000 0.287 233 T C -0.380 174.328 174.700 0.014 0.000 0.991 233 T CA -0.340 61.769 62.100 0.014 0.000 0.964 233 T CB 1.472 70.351 68.868 0.018 0.000 0.954 233 T HN 0.932 nan 8.240 nan 0.000 0.438 234 A N 3.582 126.406 122.820 0.006 0.000 2.427 234 A HA 0.753 5.073 4.320 -0.000 0.000 0.298 234 A C -0.834 176.741 177.584 -0.015 0.000 1.036 234 A CA -0.766 51.280 52.037 0.014 0.000 0.701 234 A CB 1.031 20.055 19.000 0.040 0.000 1.250 234 A HN 0.819 nan 8.150 nan 0.000 0.412 235 L N 3.057 124.270 121.223 -0.017 0.000 2.319 235 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 235 L C 0.260 177.120 176.870 -0.017 0.000 1.099 235 L CA -0.378 54.428 54.840 -0.055 0.000 0.828 235 L CB 0.376 42.407 42.059 -0.048 0.000 1.150 235 L HN 0.629 nan 8.230 nan 0.000 0.442 236 R N 1.080 121.551 120.500 -0.047 0.000 2.807 236 R HA 0.464 4.804 4.340 -0.000 0.000 0.276 236 R C -0.335 175.930 176.300 -0.058 0.000 0.979 236 R CA -0.718 55.345 56.100 -0.061 0.000 0.928 236 R CB 2.145 32.403 30.300 -0.070 0.000 1.191 236 R HN 0.684 nan 8.270 nan 0.000 0.471 237 T N -1.826 112.680 114.554 -0.080 0.000 2.904 237 T HA 0.473 4.823 4.350 -0.000 0.000 0.290 237 T C 0.666 175.361 174.700 -0.009 0.000 1.018 237 T CA -0.676 61.402 62.100 -0.037 0.000 1.075 237 T CB 0.977 69.815 68.868 -0.051 0.000 0.986 237 T HN 0.359 nan 8.240 nan 0.000 0.523 238 V N -0.885 119.056 119.914 0.046 0.000 2.881 238 V HA 0.619 4.739 4.120 -0.000 0.000 0.316 238 V C -0.347 175.812 176.094 0.108 0.000 1.070 238 V CA -1.256 61.103 62.300 0.098 0.000 0.976 238 V CB 1.527 33.481 31.823 0.218 0.000 1.038 238 V HN 0.941 nan 8.190 nan 0.000 0.446 239 D N 2.229 122.691 120.400 0.103 0.000 2.390 239 D HA 0.212 4.852 4.640 -0.000 0.000 0.249 239 D C 0.021 176.436 176.300 0.193 0.000 1.144 239 D CA 0.809 54.871 54.000 0.104 0.000 0.880 239 D CB 0.287 41.111 40.800 0.040 0.000 1.182 239 D HN 0.795 nan 8.370 nan 0.000 0.451 240 E N 2.538 122.830 120.200 0.153 0.000 2.613 240 E HA -0.143 4.207 4.350 -0.000 0.000 0.161 240 E C -1.939 174.733 176.600 0.120 0.000 1.664 240 E CA 0.054 56.544 56.400 0.151 0.000 0.661 240 E CB -0.834 28.973 29.700 0.179 0.000 1.098 240 E HN 0.494 nan 8.360 nan 0.000 0.364 241 P HA -0.206 nan 4.420 nan 0.000 0.216 241 P C 1.371 178.662 177.300 -0.013 0.000 1.150 241 P CA 2.215 65.337 63.100 0.038 0.000 0.843 241 P CB 0.171 31.908 31.700 0.061 0.000 0.787 242 A N 0.045 122.869 122.820 0.007 0.000 1.902 242 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 242 A C 2.340 179.901 177.584 -0.038 0.000 1.181 242 A CA 2.118 54.148 52.037 -0.010 0.000 0.623 242 A CB -1.594 17.416 19.000 0.017 0.000 0.818 242 A HN 0.206 nan 8.150 nan 0.000 0.443 243 A N -0.761 122.038 122.820 -0.034 0.000 1.969 243 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 243 A C 2.086 179.432 177.584 -0.397 0.000 1.169 243 A CA 1.622 53.613 52.037 -0.078 0.000 0.635 243 A CB -0.497 18.569 19.000 0.110 0.000 0.810 243 A HN 0.632 nan 8.150 nan 0.000 0.445 244 L N -0.273 120.604 121.223 -0.576 0.000 2.056 244 L HA 0.002 4.341 4.340 -0.000 0.000 0.207 244 L C 2.652 179.389 176.870 -0.222 0.000 1.078 244 L CA 2.027 56.465 54.840 -0.670 0.000 0.749 244 L CB -0.815 40.985 42.059 -0.431 0.000 0.901 244 L HN 0.324 nan 8.230 nan 0.000 0.433 245 A N -0.456 122.289 122.820 -0.125 0.000 1.948 245 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 245 A C 2.323 179.910 177.584 0.004 0.000 1.177 245 A CA 1.769 53.778 52.037 -0.047 0.000 0.636 245 A CB -1.588 17.378 19.000 -0.056 0.000 0.815 245 A HN 0.542 nan 8.150 nan 0.000 0.449 246 G N -1.432 107.365 108.800 -0.006 0.000 2.404 246 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.215 246 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.215 246 G C 1.461 176.408 174.900 0.079 0.000 1.174 246 G CA 1.357 46.493 45.100 0.061 0.000 0.780 246 G HN 0.728 nan 8.290 nan 0.000 0.537 247 H N 0.770 119.790 119.070 -0.084 0.000 2.289 247 H HA -0.033 4.523 4.556 -0.000 0.000 0.294 247 H C 2.501 177.819 175.328 -0.017 0.000 1.095 247 H CA 1.854 57.866 56.048 -0.060 0.000 1.256 247 H CB -0.351 29.324 29.762 -0.145 0.000 1.359 247 H HN 0.277 nan 8.280 nan 0.000 0.487 248 L N -1.323 119.864 121.223 -0.060 0.000 2.093 248 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 248 L C 2.202 179.083 176.870 0.018 0.000 1.085 248 L CA 0.933 55.734 54.840 -0.065 0.000 0.755 248 L CB -0.448 41.621 42.059 0.017 0.000 0.904 248 L HN 0.255 nan 8.230 nan 0.000 0.435 249 F N 0.925 120.820 119.950 -0.092 0.000 2.186 249 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 249 F C 2.546 178.300 175.800 -0.076 0.000 1.090 249 F CA 1.443 59.402 58.000 -0.070 0.000 1.307 249 F CB -0.188 38.784 39.000 -0.047 0.000 1.019 249 F HN 0.097 nan 8.300 nan 0.000 0.489 250 E N 0.176 120.312 120.200 -0.107 0.000 2.077 250 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 250 E C 2.024 178.495 176.600 -0.216 0.000 0.989 250 E CA 1.529 57.816 56.400 -0.189 0.000 0.800 250 E CB -0.121 29.517 29.700 -0.105 0.000 0.746 250 E HN 0.558 nan 8.360 nan 0.000 0.452 251 E N 0.069 120.142 120.200 -0.211 0.000 2.077 251 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 251 E C 2.034 178.537 176.600 -0.162 0.000 0.989 251 E CA 0.909 57.197 56.400 -0.187 0.000 0.800 251 E CB -0.118 29.455 29.700 -0.212 0.000 0.746 251 E HN 0.290 nan 8.360 nan 0.000 0.452 252 A N 1.178 123.897 122.820 -0.168 0.000 1.930 252 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 252 A C 2.192 179.639 177.584 -0.229 0.000 1.175 252 A CA 0.894 52.841 52.037 -0.150 0.000 0.627 252 A CB -0.547 18.414 19.000 -0.064 0.000 0.815 252 A HN 0.105 nan 8.150 nan 0.000 0.443 253 L N -0.451 120.541 121.223 -0.385 0.000 1.994 253 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 253 L C 2.655 179.404 176.870 -0.202 0.000 1.071 253 L CA 1.473 56.098 54.840 -0.358 0.000 0.745 253 L CB -0.590 41.194 42.059 -0.457 0.000 0.892 253 L HN 0.376 nan 8.230 nan 0.000 0.431 254 E N -0.526 119.570 120.200 -0.173 0.000 2.160 254 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 254 E C 2.309 178.854 176.600 -0.091 0.000 0.991 254 E CA 1.594 57.925 56.400 -0.115 0.000 0.810 254 E CB -0.239 29.400 29.700 -0.101 0.000 0.742 254 E HN 0.364 nan 8.360 nan 0.000 0.466 255 S N 0.553 116.195 115.700 -0.096 0.000 2.489 255 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 255 S C 1.255 175.819 174.600 -0.061 0.000 0.995 255 S CA 0.343 58.502 58.200 -0.069 0.000 0.934 255 S CB 0.011 63.173 63.200 -0.064 0.000 0.771 255 S HN 0.158 nan 8.310 nan 0.000 0.522 256 N N 0.640 119.294 118.700 -0.077 0.000 2.238 256 N HA 0.188 4.928 4.740 -0.000 0.000 0.222 256 N C 0.698 176.174 175.510 -0.057 0.000 1.133 256 N CA 0.594 53.608 53.050 -0.061 0.000 0.854 256 N CB 0.830 39.278 38.487 -0.064 0.000 1.041 256 N HN 0.524 nan 8.380 nan 0.000 0.510 257 G N 0.703 109.467 108.800 -0.059 0.000 2.182 257 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 257 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 257 G C -0.297 174.569 174.900 -0.056 0.000 1.042 257 G CA -0.113 44.957 45.100 -0.050 0.000 0.775 257 G HN 0.159 nan 8.290 nan 0.000 0.501 258 V N 1.044 120.911 119.914 -0.078 0.000 2.378 258 V HA 0.556 4.676 4.120 -0.000 0.000 0.288 258 V C 0.537 176.580 176.094 -0.086 0.000 1.016 258 V CA -0.292 61.959 62.300 -0.082 0.000 0.840 258 V CB 1.754 33.512 31.823 -0.109 0.000 0.994 258 V HN 0.343 nan 8.190 nan 0.000 0.431 259 T N 4.630 119.146 114.554 -0.062 0.000 2.749 259 T HA 0.420 4.769 4.350 -0.000 0.000 0.295 259 T C -0.046 174.620 174.700 -0.056 0.000 0.936 259 T CA -0.269 61.797 62.100 -0.056 0.000 1.060 259 T CB 1.245 70.090 68.868 -0.039 0.000 0.904 259 T HN 0.340 nan 8.240 nan 0.000 0.500 260 V N 5.015 124.890 119.914 -0.065 0.000 2.333 260 V HA 0.234 4.354 4.120 -0.000 0.000 0.274 260 V C 0.963 177.030 176.094 -0.045 0.000 1.028 260 V CA -0.592 61.672 62.300 -0.060 0.000 0.851 260 V CB 1.202 32.977 31.823 -0.079 0.000 1.000 260 V HN 0.707 nan 8.190 nan 0.000 0.456 261 K N 3.502 123.882 120.400 -0.034 0.000 2.044 261 K HA 0.176 4.495 4.320 -0.000 0.000 0.204 261 K C 1.401 177.984 176.600 -0.029 0.000 1.049 261 K CA 1.081 57.353 56.287 -0.025 0.000 0.945 261 K CB -0.405 32.087 32.500 -0.014 0.000 0.724 261 K HN 0.791 nan 8.250 nan 0.000 0.440 262 G N 0.307 109.084 108.800 -0.038 0.000 2.494 262 G HA2 0.080 4.040 3.960 -0.000 0.000 0.270 262 G HA3 0.080 4.040 3.960 -0.000 0.000 0.270 262 G C -0.386 174.472 174.900 -0.071 0.000 1.423 262 G CA -0.530 44.539 45.100 -0.051 0.000 1.055 262 G HN 0.080 nan 8.290 nan 0.000 0.536 263 D N -1.350 118.992 120.400 -0.098 0.000 2.423 263 D HA 0.407 5.047 4.640 -0.000 0.000 0.255 263 D C -0.243 175.963 176.300 -0.157 0.000 1.174 263 D CA -0.031 53.910 54.000 -0.098 0.000 1.008 263 D CB 1.770 42.519 40.800 -0.085 0.000 1.101 263 D HN 0.020 nan 8.370 nan 0.000 0.516 264 V N -0.230 119.622 119.914 -0.105 0.000 2.495 264 V HA 0.758 4.878 4.120 -0.000 0.000 0.298 264 V C 0.680 176.721 176.094 -0.089 0.000 1.031 264 V CA -0.314 61.918 62.300 -0.113 0.000 0.871 264 V CB 1.384 33.200 31.823 -0.011 0.000 0.988 264 V HN 0.806 nan 8.190 nan 0.000 0.432 265 G N 3.216 111.933 108.800 -0.139 0.000 2.561 265 G HA2 0.577 4.537 3.960 -0.000 0.000 0.310 265 G HA3 0.577 4.537 3.960 -0.000 0.000 0.310 265 G C -1.719 173.215 174.900 0.056 0.000 1.292 265 G CA -0.922 44.163 45.100 -0.025 0.000 0.811 265 G HN 0.568 nan 8.290 nan 0.000 0.482 266 L N 0.234 121.541 121.223 0.140 0.000 2.357 266 L HA 0.764 5.103 4.340 -0.000 0.000 0.273 266 L C 0.730 177.787 176.870 0.312 0.000 1.080 266 L CA -0.079 54.874 54.840 0.189 0.000 0.803 266 L CB 1.497 43.632 42.059 0.126 0.000 1.174 266 L HN 1.050 nan 8.230 nan 0.000 0.443 267 G N 0.604 109.557 108.800 0.255 0.000 2.443 267 G HA2 0.455 4.414 3.960 -0.000 0.000 0.303 267 G HA3 0.455 4.414 3.960 -0.000 0.000 0.303 267 G C -1.154 173.820 174.900 0.122 0.000 1.613 267 G CA -0.378 44.784 45.100 0.103 0.000 0.879 267 G HN 0.794 nan 8.290 nan 0.000 0.632 268 G N -0.401 108.394 108.800 -0.008 0.000 2.389 268 G HA2 0.603 4.563 3.960 -0.000 0.000 0.317 268 G HA3 0.603 4.563 3.960 -0.000 0.000 0.317 268 G C 0.330 174.970 174.900 -0.433 0.000 1.137 268 G CA -0.479 44.562 45.100 -0.099 0.000 0.870 268 G HN 1.213 nan 8.290 nan 0.000 0.496 269 V N 3.343 122.805 119.914 -0.753 0.000 2.583 269 V HA -0.027 4.093 4.120 -0.000 0.000 0.302 269 V C -1.500 174.007 176.094 -0.979 0.000 1.033 269 V CA -0.449 61.039 62.300 -1.353 0.000 1.194 269 V CB 0.324 31.668 31.823 -0.798 0.000 0.879 269 V HN 0.577 nan 8.190 nan 0.000 0.482 270 P HA 0.045 nan 4.420 nan 0.000 0.262 270 P C 0.571 177.587 177.300 -0.474 0.000 1.182 270 P CA 0.335 62.952 63.100 -0.806 0.000 0.761 270 P CB 0.630 31.719 31.700 -1.017 0.000 0.795 271 A N 3.840 126.510 122.820 -0.249 0.000 2.178 271 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 271 A C 1.480 179.044 177.584 -0.033 0.000 1.157 271 A CA 1.538 53.505 52.037 -0.117 0.000 0.689 271 A CB -0.728 18.224 19.000 -0.080 0.000 0.787 271 A HN 0.640 nan 8.150 nan 0.000 0.465 272 D N -2.355 118.042 120.400 -0.005 0.000 2.339 272 D HA -0.049 4.591 4.640 -0.000 0.000 0.217 272 D C -0.341 176.104 176.300 0.243 0.000 1.050 272 D CA -0.323 53.735 54.000 0.097 0.000 0.856 272 D CB -0.311 40.546 40.800 0.095 0.000 0.922 272 D HN 0.400 nan 8.370 nan 0.000 0.518 273 W N 2.969 124.233 121.300 -0.059 0.000 2.419 273 W HA 0.230 4.890 4.660 -0.000 0.000 0.312 273 W C 1.617 178.109 176.519 -0.045 0.000 1.323 273 W CA -0.771 56.541 57.345 -0.056 0.000 1.293 273 W CB 0.732 30.138 29.460 -0.090 0.000 1.324 273 W HN 0.109 nan 8.180 nan 0.000 0.512 274 Q N 0.431 120.311 119.800 0.133 0.000 2.387 274 Q HA 0.041 4.381 4.340 -0.000 0.000 0.212 274 Q C 0.032 176.053 176.000 0.035 0.000 0.925 274 Q CA 0.385 56.228 55.803 0.068 0.000 0.901 274 Q CB 0.262 29.024 28.738 0.040 0.000 1.020 274 Q HN 0.197 nan 8.270 nan 0.000 0.545 275 D N 1.257 121.655 120.400 -0.003 0.000 3.088 275 D HA 0.389 5.029 4.640 -0.000 0.000 0.310 275 D C -1.089 175.182 176.300 -0.048 0.000 1.351 275 D CA -0.327 53.660 54.000 -0.023 0.000 0.921 275 D CB 0.459 41.237 40.800 -0.037 0.000 1.045 275 D HN 0.381 nan 8.370 nan 0.000 0.504 276 A N 1.233 124.053 122.820 -0.000 0.000 2.477 276 A HA 0.310 4.630 4.320 -0.000 0.000 0.246 276 A C 0.455 178.041 177.584 0.003 0.000 1.078 276 A CA -0.207 51.833 52.037 0.006 0.000 0.770 276 A CB 0.405 19.524 19.000 0.198 0.000 1.011 276 A HN 0.330 nan 8.150 nan 0.000 0.494 277 E N 1.734 121.921 120.200 -0.022 0.000 2.200 277 E HA 0.430 4.780 4.350 -0.000 0.000 0.283 277 E C -0.981 175.644 176.600 0.040 0.000 1.015 277 E CA -0.164 56.234 56.400 -0.003 0.000 0.819 277 E CB 1.028 30.713 29.700 -0.026 0.000 1.081 277 E HN 0.319 nan 8.360 nan 0.000 0.397 278 V N 7.500 127.433 119.914 0.032 0.000 2.368 278 V HA 0.112 4.232 4.120 -0.000 0.000 0.266 278 V C 0.930 177.048 176.094 0.039 0.000 1.045 278 V CA -0.083 62.241 62.300 0.039 0.000 0.899 278 V CB 0.742 32.574 31.823 0.016 0.000 1.006 278 V HN 0.802 nan 8.190 nan 0.000 0.470 279 L N 3.874 125.134 121.223 0.062 0.000 2.477 279 L HA 0.556 4.896 4.340 -0.000 0.000 0.220 279 L C 0.869 177.780 176.870 0.068 0.000 1.106 279 L CA 0.630 55.509 54.840 0.065 0.000 0.851 279 L CB 0.200 42.312 42.059 0.088 0.000 0.994 279 L HN 0.740 nan 8.230 nan 0.000 0.462 280 A N 0.188 123.048 122.820 0.068 0.000 2.594 280 A HA 0.563 4.883 4.320 -0.000 0.000 0.296 280 A C -1.915 175.690 177.584 0.035 0.000 1.056 280 A CA -0.648 51.428 52.037 0.064 0.000 0.693 280 A CB 1.273 20.339 19.000 0.110 0.000 1.278 280 A HN 0.156 nan 8.150 nan 0.000 0.408 281 D N -0.650 119.768 120.400 0.030 0.000 2.596 281 D HA 0.688 5.328 4.640 -0.000 0.000 0.262 281 D C -0.803 175.539 176.300 0.071 0.000 1.210 281 D CA -0.375 53.634 54.000 0.015 0.000 0.873 281 D CB 1.037 41.822 40.800 -0.024 0.000 1.408 281 D HN 0.736 nan 8.370 nan 0.000 0.441 282 H N -1.653 117.377 119.070 -0.066 0.000 2.806 282 H HA 0.687 5.243 4.556 -0.000 0.000 0.367 282 H C -1.483 173.803 175.328 -0.070 0.000 1.136 282 H CA -0.398 55.616 56.048 -0.057 0.000 1.178 282 H CB 2.267 31.996 29.762 -0.055 0.000 1.718 282 H HN 0.390 nan 8.280 nan 0.000 0.540 283 T N 3.274 117.390 114.554 -0.730 0.000 2.812 283 T HA 0.372 4.722 4.350 -0.000 0.000 0.282 283 T C -0.191 174.102 174.700 -0.678 0.000 0.990 283 T CA -0.650 61.130 62.100 -0.534 0.000 0.960 283 T CB 0.961 69.640 68.868 -0.314 0.000 0.948 283 T HN 0.734 nan 8.240 nan 0.000 0.438 284 S N 2.509 117.996 115.700 -0.355 0.000 2.634 284 S HA 0.697 5.167 4.470 -0.000 0.000 0.261 284 S C 0.744 175.266 174.600 -0.129 0.000 1.271 284 S CA -0.742 57.360 58.200 -0.163 0.000 0.985 284 S CB 0.392 63.609 63.200 0.027 0.000 0.968 284 S HN 0.957 nan 8.310 nan 0.000 0.568 285 A N 0.511 123.295 122.820 -0.059 0.000 2.386 285 A HA 0.328 4.648 4.320 -0.000 0.000 0.246 285 A C 0.474 178.038 177.584 -0.034 0.000 1.089 285 A CA -0.414 51.603 52.037 -0.033 0.000 0.790 285 A CB -0.429 18.574 19.000 0.005 0.000 1.042 285 A HN 0.891 nan 8.150 nan 0.000 0.497 286 E N -0.479 119.704 120.200 -0.029 0.000 2.374 286 E HA 0.142 4.492 4.350 -0.000 0.000 0.260 286 E C 0.834 177.457 176.600 0.037 0.000 1.101 286 E CA -0.590 55.787 56.400 -0.037 0.000 0.907 286 E CB 0.502 30.184 29.700 -0.030 0.000 1.014 286 E HN 0.565 nan 8.360 nan 0.000 0.427 287 L N 2.559 123.812 121.223 0.051 0.000 2.081 287 L HA -0.272 4.067 4.340 -0.000 0.000 0.212 287 L C 2.237 179.185 176.870 0.130 0.000 1.080 287 L CA 2.395 57.312 54.840 0.129 0.000 0.754 287 L CB -0.852 41.276 42.059 0.116 0.000 0.893 287 L HN 0.700 nan 8.230 nan 0.000 0.433 288 S N -1.323 114.441 115.700 0.106 0.000 2.374 288 S HA -0.249 4.220 4.470 -0.000 0.000 0.227 288 S C 1.867 176.548 174.600 0.135 0.000 1.037 288 S CA 1.480 59.755 58.200 0.125 0.000 1.024 288 S CB -0.622 62.645 63.200 0.112 0.000 0.861 288 S HN 0.541 nan 8.310 nan 0.000 0.456 289 E N 1.179 121.452 120.200 0.121 0.000 2.158 289 E HA 0.248 4.598 4.350 -0.000 0.000 0.191 289 E C 1.942 178.650 176.600 0.180 0.000 0.982 289 E CA 0.696 57.180 56.400 0.139 0.000 0.823 289 E CB -0.413 29.354 29.700 0.112 0.000 0.766 289 E HN 0.644 nan 8.360 nan 0.000 0.468 290 I N 0.402 121.067 120.570 0.159 0.000 2.394 290 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 290 I C 1.817 178.105 176.117 0.285 0.000 1.136 290 I CA 0.730 62.131 61.300 0.169 0.000 1.425 290 I CB -0.189 37.867 38.000 0.092 0.000 1.079 290 I HN 0.120 nan 8.210 nan 0.000 0.425 291 L N -0.019 121.371 121.223 0.278 0.000 2.261 291 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 291 L C 2.443 179.453 176.870 0.234 0.000 1.114 291 L CA 0.770 55.804 54.840 0.323 0.000 0.777 291 L CB -0.558 41.639 42.059 0.230 0.000 0.910 291 L HN 0.119 nan 8.230 nan 0.000 0.440 292 V N 0.588 120.638 119.914 0.226 0.000 2.221 292 V HA -0.157 3.963 4.120 -0.000 0.000 0.240 292 V C -0.153 176.041 176.094 0.166 0.000 1.041 292 V CA 2.034 64.436 62.300 0.170 0.000 0.991 292 V CB -1.830 30.138 31.823 0.242 0.000 0.634 292 V HN 0.351 nan 8.190 nan 0.000 0.450 293 P HA -0.215 nan 4.420 nan 0.000 0.219 293 P C 1.735 179.311 177.300 0.461 0.000 1.146 293 P CA 1.767 65.152 63.100 0.476 0.000 0.808 293 P CB -0.172 31.987 31.700 0.765 0.000 0.779 294 F N 0.292 120.440 119.950 0.331 0.000 2.098 294 F HA -0.128 4.399 4.527 -0.000 0.000 0.294 294 F C 2.141 178.000 175.800 0.098 0.000 1.107 294 F CA 1.189 59.367 58.000 0.298 0.000 1.234 294 F CB -0.251 38.984 39.000 0.392 0.000 1.002 294 F HN -0.298 nan 8.300 nan 0.000 0.472 295 M N 0.410 119.840 119.600 -0.284 0.000 2.287 295 M HA -0.051 4.429 4.480 -0.000 0.000 0.266 295 M C 1.908 177.991 176.300 -0.361 0.000 1.079 295 M CA 1.016 56.020 55.300 -0.494 0.000 1.146 295 M CB -0.941 31.370 32.600 -0.482 0.000 1.374 295 M HN 0.070 nan 8.290 nan 0.000 0.435 296 K N 0.223 120.388 120.400 -0.392 0.000 2.097 296 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 296 K C 1.517 177.708 176.600 -0.682 0.000 1.049 296 K CA 1.405 57.313 56.287 -0.633 0.000 0.933 296 K CB -0.296 31.619 32.500 -0.974 0.000 0.717 296 K HN 0.311 nan 8.250 nan 0.000 0.442 297 F N 0.007 119.868 119.950 -0.149 0.000 2.682 297 F HA 0.238 4.765 4.527 -0.000 0.000 0.308 297 F C 0.547 176.291 175.800 -0.092 0.000 1.093 297 F CA -0.559 57.362 58.000 -0.131 0.000 1.244 297 F CB 0.125 39.035 39.000 -0.150 0.000 1.052 297 F HN -0.240 nan 8.300 nan 0.000 0.573 298 S N 1.487 117.195 115.700 0.013 0.000 3.727 298 S HA -0.298 4.172 4.470 -0.000 0.000 0.444 298 S C -0.036 174.625 174.600 0.103 0.000 0.867 298 S CA 0.140 58.337 58.200 -0.004 0.000 1.324 298 S CB -1.803 61.374 63.200 -0.038 0.000 0.890 298 S HN 0.630 nan 8.310 nan 0.000 0.599 299 N N 1.770 120.598 118.700 0.214 0.000 2.420 299 N HA 0.368 5.108 4.740 -0.000 0.000 0.249 299 N C 1.137 176.802 175.510 0.260 0.000 1.033 299 N CA -0.694 52.452 53.050 0.160 0.000 0.944 299 N CB 0.403 38.829 38.487 -0.102 0.000 1.113 299 N HN 0.358 nan 8.380 nan 0.000 0.502 300 N N 2.694 121.500 118.700 0.176 0.000 2.142 300 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 300 N C 1.768 177.417 175.510 0.232 0.000 1.023 300 N CA 1.141 54.309 53.050 0.197 0.000 0.852 300 N CB -0.447 38.096 38.487 0.094 0.000 0.998 300 N HN 0.700 nan 8.380 nan 0.000 0.424 301 G N 0.627 109.543 108.800 0.193 0.000 2.418 301 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 301 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 301 G C 1.245 176.279 174.900 0.224 0.000 1.158 301 G CA 0.880 46.116 45.100 0.227 0.000 0.771 301 G HN 0.340 nan 8.290 nan 0.000 0.545 302 H N 1.106 120.176 119.070 0.001 0.000 2.319 302 H HA -0.017 4.539 4.556 -0.000 0.000 0.297 302 H C 2.881 177.934 175.328 -0.458 0.000 1.097 302 H CA 1.201 57.088 56.048 -0.269 0.000 1.285 302 H CB -0.762 28.770 29.762 -0.384 0.000 1.368 302 H HN 0.369 nan 8.280 nan 0.000 0.495 303 A N 1.219 123.951 122.820 -0.148 0.000 1.883 303 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 303 A C 2.247 179.891 177.584 0.099 0.000 1.186 303 A CA 1.871 53.915 52.037 0.012 0.000 0.624 303 A CB -0.175 19.059 19.000 0.391 0.000 0.822 303 A HN 0.350 nan 8.150 nan 0.000 0.444 304 E N -0.315 120.008 120.200 0.205 0.000 2.152 304 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 304 E C 2.049 178.607 176.600 -0.070 0.000 0.983 304 E CA 1.085 57.630 56.400 0.242 0.000 0.818 304 E CB -0.491 29.519 29.700 0.516 0.000 0.758 304 E HN 0.735 nan 8.360 nan 0.000 0.467 305 M N 0.252 119.830 119.600 -0.036 0.000 2.175 305 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 305 M C 2.382 178.618 176.300 -0.108 0.000 1.063 305 M CA 1.087 56.370 55.300 -0.028 0.000 1.119 305 M CB -0.271 32.368 32.600 0.064 0.000 1.377 305 M HN 0.048 nan 8.290 nan 0.000 0.415 306 L N -0.600 120.543 121.223 -0.134 0.000 2.046 306 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 306 L C 2.446 179.271 176.870 -0.075 0.000 1.077 306 L CA 0.951 55.738 54.840 -0.088 0.000 0.747 306 L CB -0.735 41.261 42.059 -0.105 0.000 0.896 306 L HN 0.136 nan 8.230 nan 0.000 0.432 307 V N 0.015 119.875 119.914 -0.090 0.000 2.295 307 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 307 V C 2.503 178.437 176.094 -0.267 0.000 1.049 307 V CA 1.777 64.022 62.300 -0.092 0.000 1.024 307 V CB -0.526 31.316 31.823 0.030 0.000 0.648 307 V HN 0.438 nan 8.190 nan 0.000 0.447 308 K N -0.032 120.034 120.400 -0.556 0.000 2.097 308 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 308 K C 2.382 178.624 176.600 -0.596 0.000 1.050 308 K CA 1.593 57.324 56.287 -0.928 0.000 0.938 308 K CB -0.345 30.995 32.500 -1.933 0.000 0.718 308 K HN 0.397 nan 8.250 nan 0.000 0.442 309 S N 1.564 117.137 115.700 -0.211 0.000 2.383 309 S HA -0.120 4.349 4.470 -0.000 0.000 0.229 309 S C 1.991 176.617 174.600 0.044 0.000 1.030 309 S CA 1.091 59.407 58.200 0.194 0.000 1.002 309 S CB -0.235 63.181 63.200 0.360 0.000 0.829 309 S HN 0.211 nan 8.310 nan 0.000 0.467 310 I N 1.372 121.915 120.570 -0.045 0.000 2.252 310 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 310 I C 2.720 178.788 176.117 -0.083 0.000 1.102 310 I CA 1.095 62.365 61.300 -0.051 0.000 1.385 310 I CB -0.852 37.124 38.000 -0.039 0.000 1.064 310 I HN 0.369 nan 8.210 nan 0.000 0.414 311 G N -0.063 108.649 108.800 -0.146 0.000 2.469 311 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 311 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 311 G C 1.608 176.400 174.900 -0.180 0.000 1.150 311 G CA 0.495 45.492 45.100 -0.171 0.000 0.763 311 G HN 0.272 nan 8.290 nan 0.000 0.561 312 Q N -0.057 119.615 119.800 -0.214 0.000 2.084 312 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 312 Q C 2.491 178.416 176.000 -0.125 0.000 0.978 312 Q CA 1.659 57.294 55.803 -0.281 0.000 0.844 312 Q CB -0.267 28.191 28.738 -0.467 0.000 0.898 312 Q HN 0.583 nan 8.270 nan 0.000 0.426 313 E N -0.020 120.161 120.200 -0.031 0.000 2.047 313 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 313 E C 1.762 178.354 176.600 -0.014 0.000 0.987 313 E CA 1.985 58.392 56.400 0.012 0.000 0.799 313 E CB -0.175 29.532 29.700 0.011 0.000 0.752 313 E HN 0.388 nan 8.360 nan 0.000 0.449 314 T N -3.241 111.293 114.554 -0.034 0.000 3.100 314 T HA 0.387 4.737 4.350 -0.000 0.000 0.253 314 T C 1.157 175.834 174.700 -0.039 0.000 1.118 314 T CA 0.590 62.672 62.100 -0.029 0.000 1.058 314 T CB 0.502 69.355 68.868 -0.026 0.000 0.953 314 T HN 0.152 nan 8.240 nan 0.000 0.515 315 A N -0.323 122.460 122.820 -0.062 0.000 2.710 315 A HA 0.685 5.005 4.320 -0.000 0.000 0.212 315 A C 1.610 179.141 177.584 -0.088 0.000 1.358 315 A CA 0.408 52.404 52.037 -0.068 0.000 1.048 315 A CB -0.276 18.681 19.000 -0.072 0.000 1.345 315 A HN 1.295 nan 8.150 nan 0.000 0.583 316 G N -0.654 108.076 108.800 -0.117 0.000 2.179 316 G HA2 0.185 4.145 3.960 -0.000 0.000 0.257 316 G HA3 0.185 4.145 3.960 -0.000 0.000 0.257 316 G C 0.285 175.059 174.900 -0.209 0.000 1.010 316 G CA 0.537 45.542 45.100 -0.158 0.000 0.736 316 G HN 1.979 nan 8.290 nan 0.000 0.513 317 A N -0.253 122.435 122.820 -0.220 0.000 2.457 317 A HA 0.767 5.087 4.320 -0.000 0.000 0.283 317 A C 0.608 178.028 177.584 -0.274 0.000 1.166 317 A CA 0.525 52.431 52.037 -0.218 0.000 0.740 317 A CB 1.114 20.026 19.000 -0.146 0.000 1.181 317 A HN 1.694 nan 8.150 nan 0.000 0.446 318 G N 2.604 111.213 108.800 -0.319 0.000 3.003 318 G HA2 0.424 4.384 3.960 -0.000 0.000 0.266 318 G HA3 0.424 4.384 3.960 -0.000 0.000 0.266 318 G C 0.398 175.032 174.900 -0.444 0.000 0.755 318 G CA 0.767 45.643 45.100 -0.374 0.000 2.061 318 G HN 1.136 nan 8.290 nan 0.000 0.599 319 T N -3.439 110.873 114.554 -0.404 0.000 2.901 319 T HA 0.379 4.729 4.350 -0.000 0.000 0.293 319 T C 0.649 175.153 174.700 -0.327 0.000 1.084 319 T CA -0.964 60.933 62.100 -0.338 0.000 1.008 319 T CB 1.706 70.477 68.868 -0.162 0.000 1.170 319 T HN 0.182 nan 8.240 nan 0.000 0.509 320 W N 0.789 121.972 121.300 -0.195 0.000 2.379 320 W HA -0.007 4.653 4.660 -0.000 0.000 0.307 320 W C 1.565 178.004 176.519 -0.133 0.000 1.200 320 W CA 1.286 58.528 57.345 -0.171 0.000 1.297 320 W CB -0.702 28.651 29.460 -0.177 0.000 1.140 320 W HN 0.785 nan 8.180 nan 0.000 0.507 321 D N -0.027 120.437 120.400 0.106 0.000 2.116 321 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 321 D C 2.208 178.507 176.300 -0.003 0.000 0.998 321 D CA 2.208 56.228 54.000 0.033 0.000 0.836 321 D CB -0.777 40.027 40.800 0.007 0.000 0.951 321 D HN 0.037 nan 8.370 nan 0.000 0.449 322 A N 0.590 123.386 122.820 -0.041 0.000 1.898 322 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 322 A C 2.386 179.932 177.584 -0.064 0.000 1.183 322 A CA 1.835 53.835 52.037 -0.063 0.000 0.622 322 A CB -0.996 17.945 19.000 -0.098 0.000 0.824 322 A HN 0.289 nan 8.150 nan 0.000 0.444 323 G N -0.101 108.646 108.800 -0.089 0.000 2.440 323 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 323 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 323 G C 1.338 176.234 174.900 -0.006 0.000 1.154 323 G CA 1.218 46.270 45.100 -0.080 0.000 0.767 323 G HN 0.325 nan 8.290 nan 0.000 0.552 324 L N 0.627 121.871 121.223 0.035 0.000 2.093 324 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 324 L C 3.154 180.035 176.870 0.018 0.000 1.085 324 L CA 0.650 55.517 54.840 0.045 0.000 0.755 324 L CB -0.994 41.098 42.059 0.054 0.000 0.904 324 L HN 0.114 nan 8.230 nan 0.000 0.435 325 V N -0.034 119.882 119.914 0.004 0.000 2.332 325 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 325 V C 2.615 178.709 176.094 0.001 0.000 1.055 325 V CA 1.848 64.147 62.300 -0.002 0.000 1.038 325 V CB -1.437 30.379 31.823 -0.011 0.000 0.651 325 V HN 0.542 nan 8.190 nan 0.000 0.450 326 G N -0.243 108.554 108.800 -0.005 0.000 2.446 326 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 326 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 326 G C 1.675 176.585 174.900 0.016 0.000 1.168 326 G CA 1.257 46.355 45.100 -0.003 0.000 0.771 326 G HN 0.375 nan 8.290 nan 0.000 0.551 327 V N 0.730 120.661 119.914 0.029 0.000 2.255 327 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 327 V C 2.760 178.893 176.094 0.064 0.000 1.051 327 V CA 2.192 64.526 62.300 0.057 0.000 1.018 327 V CB -0.345 31.526 31.823 0.080 0.000 0.641 327 V HN 0.409 nan 8.190 nan 0.000 0.445 328 E N 0.349 120.575 120.200 0.043 0.000 2.051 328 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 328 E C 2.190 178.814 176.600 0.040 0.000 0.991 328 E CA 1.826 58.248 56.400 0.037 0.000 0.799 328 E CB -0.102 29.604 29.700 0.011 0.000 0.748 328 E HN 0.708 nan 8.360 nan 0.000 0.449 329 E N -0.338 119.879 120.200 0.029 0.000 2.204 329 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 329 E C 1.848 178.469 176.600 0.036 0.000 0.989 329 E CA 0.934 57.350 56.400 0.026 0.000 0.824 329 E CB -0.054 29.655 29.700 0.015 0.000 0.756 329 E HN 0.326 nan 8.360 nan 0.000 0.477 330 A N 0.301 123.147 122.820 0.043 0.000 1.968 330 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 330 A C 2.034 179.660 177.584 0.071 0.000 1.169 330 A CA 0.702 52.770 52.037 0.052 0.000 0.638 330 A CB -0.310 18.716 19.000 0.044 0.000 0.812 330 A HN 0.146 nan 8.150 nan 0.000 0.446 331 L N 0.209 121.484 121.223 0.086 0.000 2.072 331 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 331 L C 3.018 179.940 176.870 0.087 0.000 1.079 331 L CA 1.598 56.506 54.840 0.112 0.000 0.752 331 L CB -0.385 41.778 42.059 0.174 0.000 0.906 331 L HN 0.582 nan 8.230 nan 0.000 0.436 332 S N -0.301 115.439 115.700 0.068 0.000 2.428 332 S HA -0.080 4.389 4.470 -0.000 0.000 0.230 332 S C 2.050 176.674 174.600 0.040 0.000 1.014 332 S CA 0.809 59.039 58.200 0.050 0.000 0.957 332 S CB -0.740 62.483 63.200 0.038 0.000 0.784 332 S HN 0.404 nan 8.310 nan 0.000 0.499 333 G N 1.307 110.132 108.800 0.043 0.000 2.443 333 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.219 333 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.219 333 G C 1.269 176.194 174.900 0.042 0.000 1.131 333 G CA 0.833 45.957 45.100 0.039 0.000 0.775 333 G HN 0.509 nan 8.290 nan 0.000 0.547 334 L N 0.458 121.713 121.223 0.053 0.000 2.492 334 L HA 0.352 4.692 4.340 -0.000 0.000 0.223 334 L C 1.890 178.770 176.870 0.016 0.000 1.132 334 L CA 1.285 56.153 54.840 0.046 0.000 0.850 334 L CB -0.101 42.006 42.059 0.080 0.000 0.966 334 L HN 0.406 nan 8.230 nan 0.000 0.454 335 G N -1.250 107.564 108.800 0.024 0.000 2.159 335 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.227 335 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.227 335 G C 0.118 175.034 174.900 0.027 0.000 0.986 335 G CA 0.067 45.176 45.100 0.016 0.000 0.651 335 G HN 0.182 nan 8.290 nan 0.000 0.523 336 V N 1.478 121.419 119.914 0.046 0.000 2.488 336 V HA 0.409 4.529 4.120 -0.000 0.000 0.277 336 V C 0.552 176.688 176.094 0.070 0.000 1.046 336 V CA -0.343 61.999 62.300 0.069 0.000 0.986 336 V CB 1.603 33.493 31.823 0.113 0.000 0.989 336 V HN 0.373 nan 8.190 nan 0.000 0.475 337 D N 3.973 124.410 120.400 0.062 0.000 2.358 337 D HA 0.074 4.714 4.640 -0.000 0.000 0.258 337 D C 1.098 177.435 176.300 0.062 0.000 1.223 337 D CA 0.137 54.168 54.000 0.051 0.000 0.886 337 D CB 1.216 42.040 40.800 0.040 0.000 1.120 337 D HN 0.734 nan 8.370 nan 0.000 0.482 338 T N 0.909 115.491 114.554 0.046 0.000 3.176 338 T HA 0.394 4.744 4.350 -0.000 0.000 0.263 338 T C 1.535 176.236 174.700 0.001 0.000 1.021 338 T CA 0.072 62.191 62.100 0.031 0.000 0.905 338 T CB 0.434 69.320 68.868 0.029 0.000 1.057 338 T HN 0.255 nan 8.240 nan 0.000 0.558 339 A N 1.610 124.435 122.820 0.008 0.000 1.972 339 A HA 0.287 4.607 4.320 -0.000 0.000 0.219 339 A C 2.352 179.929 177.584 -0.012 0.000 1.169 339 A CA 1.288 53.324 52.037 -0.001 0.000 0.635 339 A CB -1.122 17.881 19.000 0.005 0.000 0.810 339 A HN 0.630 nan 8.150 nan 0.000 0.446 340 G N -1.353 107.440 108.800 -0.011 0.000 3.042 340 G HA2 0.389 4.349 3.960 -0.000 0.000 0.212 340 G HA3 0.389 4.349 3.960 -0.000 0.000 0.212 340 G C 0.340 175.207 174.900 -0.055 0.000 1.166 340 G CA -0.326 44.761 45.100 -0.021 0.000 0.767 340 G HN 0.355 nan 8.290 nan 0.000 0.546 341 L N 1.532 122.705 121.223 -0.084 0.000 2.305 341 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 341 L C -0.585 176.215 176.870 -0.118 0.000 1.085 341 L CA -0.529 54.216 54.840 -0.160 0.000 0.813 341 L CB 1.988 43.912 42.059 -0.225 0.000 1.157 341 L HN -0.196 nan 8.230 nan 0.000 0.436 342 V N 5.252 125.093 119.914 -0.122 0.000 2.409 342 V HA 0.319 4.439 4.120 -0.000 0.000 0.291 342 V C -0.291 175.740 176.094 -0.105 0.000 1.020 342 V CA -0.620 61.624 62.300 -0.092 0.000 0.848 342 V CB 1.886 33.669 31.823 -0.067 0.000 0.990 342 V HN 0.365 nan 8.190 nan 0.000 0.430 343 L N 4.697 125.867 121.223 -0.088 0.000 2.272 343 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 343 L C 0.723 177.553 176.870 -0.066 0.000 1.032 343 L CA 0.340 55.136 54.840 -0.074 0.000 0.810 343 L CB 0.971 43.000 42.059 -0.051 0.000 1.205 343 L HN 0.610 nan 8.230 nan 0.000 0.422 344 N N 0.750 119.405 118.700 -0.076 0.000 2.360 344 N HA 0.061 4.801 4.740 -0.000 0.000 0.211 344 N C -0.653 174.734 175.510 -0.204 0.000 1.147 344 N CA 0.304 53.276 53.050 -0.129 0.000 0.866 344 N CB 0.894 39.307 38.487 -0.123 0.000 1.206 344 N HN 0.764 nan 8.380 nan 0.000 0.478 345 D N -3.277 117.070 120.400 -0.088 0.000 2.768 345 D HA 0.329 4.969 4.640 -0.000 0.000 0.327 345 D C 0.780 177.168 176.300 0.146 0.000 1.302 345 D CA -0.519 53.460 54.000 -0.035 0.000 0.897 345 D CB 0.335 41.125 40.800 -0.018 0.000 1.420 345 D HN -0.096 nan 8.370 nan 0.000 0.494 346 G N -1.084 107.883 108.800 0.277 0.000 2.595 346 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 346 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 346 G C 1.159 176.235 174.900 0.292 0.000 1.141 346 G CA 0.841 46.109 45.100 0.279 0.000 0.806 346 G HN 0.564 nan 8.290 nan 0.000 0.530 347 S N -0.546 115.336 115.700 0.303 0.000 2.414 347 S HA 0.320 4.790 4.470 -0.000 0.000 0.227 347 S C 2.015 176.711 174.600 0.159 0.000 1.022 347 S CA 1.280 59.635 58.200 0.258 0.000 0.958 347 S CB -0.122 63.218 63.200 0.233 0.000 0.797 347 S HN 1.449 nan 8.310 nan 0.000 0.493 348 G N 0.915 109.793 108.800 0.130 0.000 2.176 348 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.232 348 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.232 348 G C 0.549 175.442 174.900 -0.012 0.000 0.986 348 G CA 0.288 45.422 45.100 0.056 0.000 0.643 348 G HN 0.452 nan 8.290 nan 0.000 0.522 349 L N 1.049 122.251 121.223 -0.035 0.000 2.083 349 L HA 0.112 4.452 4.340 -0.000 0.000 0.209 349 L C 1.960 178.721 176.870 -0.181 0.000 1.083 349 L CA 1.686 56.393 54.840 -0.221 0.000 0.752 349 L CB -0.390 41.337 42.059 -0.554 0.000 0.899 349 L HN 0.454 nan 8.230 nan 0.000 0.433 350 S N -0.075 115.681 115.700 0.093 0.000 2.533 350 S HA 0.023 4.493 4.470 -0.000 0.000 0.282 350 S C 1.002 175.577 174.600 -0.042 0.000 1.304 350 S CA -0.325 57.948 58.200 0.121 0.000 1.063 350 S CB 0.561 63.840 63.200 0.131 0.000 0.881 350 S HN 0.294 nan 8.310 nan 0.000 0.493 351 R N 3.311 123.751 120.500 -0.099 0.000 2.335 351 R HA 0.138 4.478 4.340 -0.000 0.000 0.223 351 R C 1.606 177.879 176.300 -0.045 0.000 0.940 351 R CA 0.434 56.478 56.100 -0.094 0.000 1.086 351 R CB -0.119 30.106 30.300 -0.126 0.000 1.073 351 R HN 0.721 nan 8.270 nan 0.000 0.504 352 G N -0.060 108.715 108.800 -0.041 0.000 3.126 352 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.224 352 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.224 352 G C 0.183 175.053 174.900 -0.050 0.000 1.142 352 G CA -0.356 44.718 45.100 -0.043 0.000 0.759 352 G HN 0.122 nan 8.290 nan 0.000 0.550 353 N N 0.647 119.319 118.700 -0.048 0.000 2.529 353 N HA 0.487 5.227 4.740 -0.000 0.000 0.278 353 N C -0.814 174.661 175.510 -0.057 0.000 1.146 353 N CA 0.184 53.201 53.050 -0.056 0.000 0.980 353 N CB 1.933 40.395 38.487 -0.041 0.000 1.124 353 N HN 0.018 nan 8.380 nan 0.000 0.458 354 L N 1.241 122.417 121.223 -0.078 0.000 2.455 354 L HA 0.539 4.878 4.340 -0.000 0.000 0.264 354 L C -0.135 176.668 176.870 -0.111 0.000 0.968 354 L CA -0.928 53.870 54.840 -0.070 0.000 0.827 354 L CB 2.082 44.109 42.059 -0.053 0.000 1.317 354 L HN 0.265 nan 8.230 nan 0.000 0.407 355 V N -0.776 119.092 119.914 -0.077 0.000 3.119 355 V HA 0.909 5.029 4.120 -0.000 0.000 0.311 355 V C -0.370 175.722 176.094 -0.004 0.000 1.259 355 V CA -0.486 61.768 62.300 -0.077 0.000 1.067 355 V CB 2.098 33.904 31.823 -0.028 0.000 1.123 355 V HN 0.824 nan 8.190 nan 0.000 0.463 356 T N -2.619 111.957 114.554 0.037 0.000 2.916 356 T HA 0.771 5.121 4.350 -0.000 0.000 0.292 356 T C 0.897 175.650 174.700 0.088 0.000 1.055 356 T CA -0.051 62.081 62.100 0.054 0.000 1.009 356 T CB 1.650 70.543 68.868 0.043 0.000 1.118 356 T HN 1.733 nan 8.240 nan 0.000 0.497 357 A N 1.090 123.956 122.820 0.076 0.000 1.972 357 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 357 A C 1.897 179.529 177.584 0.080 0.000 1.169 357 A CA 1.758 53.843 52.037 0.081 0.000 0.635 357 A CB -1.026 18.022 19.000 0.080 0.000 0.810 357 A HN 0.897 nan 8.150 nan 0.000 0.446 358 D N -0.457 119.987 120.400 0.073 0.000 2.117 358 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 358 D C 2.027 178.379 176.300 0.086 0.000 0.987 358 D CA 1.907 55.947 54.000 0.067 0.000 0.829 358 D CB -0.585 40.246 40.800 0.051 0.000 0.961 358 D HN 0.424 nan 8.370 nan 0.000 0.460 359 T N 0.376 115.001 114.554 0.119 0.000 2.821 359 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 359 T C 2.249 177.103 174.700 0.258 0.000 1.046 359 T CA 0.589 62.802 62.100 0.188 0.000 1.139 359 T CB -0.223 68.763 68.868 0.195 0.000 0.871 359 T HN -0.023 nan 8.240 nan 0.000 0.454 360 V N 1.042 121.097 119.914 0.234 0.000 2.307 360 V HA -0.116 4.003 4.120 -0.000 0.000 0.245 360 V C 2.660 178.738 176.094 -0.026 0.000 1.045 360 V CA 1.198 63.559 62.300 0.103 0.000 1.024 360 V CB -0.669 31.205 31.823 0.086 0.000 0.651 360 V HN 0.291 nan 8.190 nan 0.000 0.449 361 V N 0.457 120.375 119.914 0.007 0.000 2.427 361 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 361 V C 2.391 178.493 176.094 0.014 0.000 1.051 361 V CA 2.300 64.595 62.300 -0.007 0.000 1.048 361 V CB -0.621 31.219 31.823 0.028 0.000 0.666 361 V HN 0.646 nan 8.190 nan 0.000 0.456 362 D N 0.107 120.529 120.400 0.036 0.000 2.106 362 D HA -0.218 4.421 4.640 -0.000 0.000 0.191 362 D C 2.007 178.314 176.300 0.013 0.000 0.997 362 D CA 1.792 55.814 54.000 0.038 0.000 0.834 362 D CB -0.281 40.556 40.800 0.062 0.000 0.956 362 D HN 0.296 nan 8.370 nan 0.000 0.448 363 L N 0.204 121.419 121.223 -0.013 0.000 2.079 363 L HA -0.101 4.238 4.340 -0.000 0.000 0.210 363 L C 2.268 179.099 176.870 -0.065 0.000 1.081 363 L CA 1.496 56.282 54.840 -0.090 0.000 0.752 363 L CB -0.574 41.311 42.059 -0.291 0.000 0.896 363 L HN 0.184 nan 8.230 nan 0.000 0.433 364 L N -0.890 120.323 121.223 -0.017 0.000 2.141 364 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 364 L C 2.478 179.478 176.870 0.216 0.000 1.094 364 L CA 1.091 55.987 54.840 0.094 0.000 0.763 364 L CB -1.252 40.712 42.059 -0.157 0.000 0.908 364 L HN 0.456 nan 8.230 nan 0.000 0.437 365 G N -0.990 107.871 108.800 0.102 0.000 2.414 365 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.215 365 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.215 365 G C 1.467 176.364 174.900 -0.004 0.000 1.188 365 G CA 0.123 45.271 45.100 0.079 0.000 0.783 365 G HN 0.252 nan 8.290 nan 0.000 0.537 366 Q N 0.645 120.417 119.800 -0.047 0.000 2.124 366 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 366 Q C 2.828 178.680 176.000 -0.246 0.000 0.977 366 Q CA 1.427 57.162 55.803 -0.113 0.000 0.850 366 Q CB -0.614 28.077 28.738 -0.078 0.000 0.901 366 Q HN 0.468 nan 8.270 nan 0.000 0.429 367 A N 0.754 123.398 122.820 -0.293 0.000 2.066 367 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 367 A C 2.284 179.550 177.584 -0.529 0.000 1.157 367 A CA 1.272 52.931 52.037 -0.629 0.000 0.670 367 A CB -0.665 17.740 19.000 -0.992 0.000 0.804 367 A HN 0.428 nan 8.150 nan 0.000 0.453 368 G N -0.165 108.526 108.800 -0.182 0.000 2.448 368 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 368 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 368 G C 1.532 176.308 174.900 -0.207 0.000 1.135 368 G CA 1.382 46.404 45.100 -0.131 0.000 0.784 368 G HN 0.840 nan 8.290 nan 0.000 0.543 369 S N -0.576 114.976 115.700 -0.248 0.000 2.554 369 S HA 0.666 5.136 4.470 -0.000 0.000 0.226 369 S C 1.021 175.415 174.600 -0.342 0.000 0.980 369 S CA 0.272 58.333 58.200 -0.232 0.000 0.939 369 S CB 0.480 63.588 63.200 -0.153 0.000 0.832 369 S HN 0.486 nan 8.310 nan 0.000 0.486 370 A N 2.738 125.207 122.820 -0.586 0.000 2.366 370 A HA 0.585 4.905 4.320 -0.000 0.000 0.249 370 A C -1.103 176.044 177.584 -0.728 0.000 1.084 370 A CA -1.361 50.144 52.037 -0.886 0.000 0.794 370 A CB -0.090 17.766 19.000 -1.907 0.000 1.034 370 A HN 0.255 nan 8.150 nan 0.000 0.491 371 P HA -0.114 nan 4.420 nan 0.000 0.217 371 P C 0.889 178.090 177.300 -0.165 0.000 1.150 371 P CA 1.379 64.316 63.100 -0.272 0.000 0.832 371 P CB -0.056 31.580 31.700 -0.106 0.000 0.787 372 W N -1.622 119.681 121.300 0.006 0.000 3.447 372 W HA 0.606 5.266 4.660 -0.000 0.000 0.348 372 W C 0.919 177.491 176.519 0.088 0.000 1.220 372 W CA -0.002 57.372 57.345 0.048 0.000 1.809 372 W CB -1.375 28.120 29.460 0.059 0.000 1.040 372 W HN -0.105 nan 8.180 nan 0.000 0.735 373 A N 1.228 124.031 122.820 -0.029 0.000 2.024 373 A HA -0.273 4.046 4.320 -0.000 0.000 0.220 373 A C 2.196 179.928 177.584 0.247 0.000 1.164 373 A CA 1.849 53.909 52.037 0.038 0.000 0.643 373 A CB -0.583 18.326 19.000 -0.153 0.000 0.806 373 A HN 0.454 nan 8.150 nan 0.000 0.451 374 Q N -0.667 119.243 119.800 0.184 0.000 2.062 374 Q HA -0.127 4.213 4.340 -0.000 0.000 0.196 374 Q C 2.178 178.295 176.000 0.195 0.000 0.967 374 Q CA 1.941 57.834 55.803 0.151 0.000 0.832 374 Q CB -0.143 28.652 28.738 0.094 0.000 0.899 374 Q HN 0.790 nan 8.270 nan 0.000 0.442 375 T N -1.026 113.677 114.554 0.249 0.000 2.867 375 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 375 T C 1.410 176.280 174.700 0.283 0.000 1.057 375 T CA 0.795 63.034 62.100 0.232 0.000 1.136 375 T CB -0.712 68.289 68.868 0.221 0.000 0.874 375 T HN 0.506 nan 8.240 nan 0.000 0.466 376 W N 3.220 124.660 121.300 0.233 0.000 2.315 376 W HA -0.291 4.368 4.660 -0.000 0.000 0.323 376 W C 2.321 178.941 176.519 0.169 0.000 1.233 376 W CA 2.290 59.786 57.345 0.253 0.000 1.267 376 W CB -0.694 29.054 29.460 0.480 0.000 1.160 376 W HN 0.477 nan 8.180 nan 0.000 0.474 377 S N 0.998 116.762 115.700 0.106 0.000 2.387 377 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 377 S C 2.102 176.671 174.600 -0.051 0.000 1.026 377 S CA 1.175 59.347 58.200 -0.047 0.000 0.972 377 S CB -1.037 62.189 63.200 0.042 0.000 0.814 377 S HN 0.316 nan 8.310 nan 0.000 0.477 378 A N 2.167 124.996 122.820 0.014 0.000 2.070 378 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 378 A C 2.424 179.993 177.584 -0.026 0.000 1.159 378 A CA 1.782 53.826 52.037 0.011 0.000 0.656 378 A CB -1.014 18.018 19.000 0.053 0.000 0.800 378 A HN 0.798 nan 8.150 nan 0.000 0.453 379 S N -0.724 114.938 115.700 -0.064 0.000 2.496 379 S HA 0.208 4.678 4.470 -0.000 0.000 0.224 379 S C 0.622 175.096 174.600 -0.210 0.000 0.996 379 S CA -0.250 57.887 58.200 -0.106 0.000 0.927 379 S CB -0.570 62.575 63.200 -0.092 0.000 0.774 379 S HN 0.380 nan 8.310 nan 0.000 0.524 380 L N 2.412 123.489 121.223 -0.243 0.000 2.380 380 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 380 L C -2.433 174.319 176.870 -0.196 0.000 1.138 380 L CA -2.332 52.347 54.840 -0.269 0.000 0.832 380 L CB -0.048 41.844 42.059 -0.278 0.000 1.124 380 L HN -0.005 nan 8.230 nan 0.000 0.454 381 P HA -0.048 nan 4.420 nan 0.000 0.263 381 P C -0.739 176.497 177.300 -0.107 0.000 1.175 381 P CA 0.073 63.069 63.100 -0.173 0.000 0.761 381 P CB 0.452 32.050 31.700 -0.170 0.000 0.794 382 V N 3.226 123.091 119.914 -0.081 0.000 2.370 382 V HA 0.428 4.548 4.120 -0.000 0.000 0.283 382 V C 0.617 176.688 176.094 -0.037 0.000 1.023 382 V CA -1.044 61.229 62.300 -0.045 0.000 0.857 382 V CB 0.866 32.670 31.823 -0.033 0.000 0.985 382 V HN 0.679 nan 8.190 nan 0.000 0.443 383 A N 4.112 126.916 122.820 -0.027 0.000 2.580 383 A HA 0.445 4.765 4.320 -0.000 0.000 0.244 383 A C 1.621 179.189 177.584 -0.026 0.000 1.045 383 A CA 0.941 52.963 52.037 -0.025 0.000 0.761 383 A CB -0.653 18.335 19.000 -0.021 0.000 0.962 383 A HN 2.210 nan 8.150 nan 0.000 0.512 384 G N 1.454 110.241 108.800 -0.022 0.000 2.225 384 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 384 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 384 G C 0.103 174.998 174.900 -0.008 0.000 0.988 384 G CA 0.336 45.427 45.100 -0.015 0.000 0.625 384 G HN 0.836 nan 8.290 nan 0.000 0.527 385 E N 0.893 121.088 120.200 -0.008 0.000 2.290 385 E HA 0.375 4.725 4.350 -0.000 0.000 0.277 385 E C 1.003 177.613 176.600 0.016 0.000 1.035 385 E CA 0.444 56.846 56.400 0.003 0.000 0.873 385 E CB 1.474 31.175 29.700 0.001 0.000 1.029 385 E HN 0.148 nan 8.360 nan 0.000 0.419 386 S N 2.172 117.887 115.700 0.025 0.000 2.489 386 S HA -0.100 4.369 4.470 -0.000 0.000 0.228 386 S C 0.566 175.202 174.600 0.060 0.000 0.995 386 S CA 0.053 58.275 58.200 0.036 0.000 0.934 386 S CB 0.192 63.410 63.200 0.031 0.000 0.771 386 S HN 0.417 nan 8.310 nan 0.000 0.522 387 D N 1.619 122.060 120.400 0.070 0.000 2.358 387 D HA 0.146 4.785 4.640 -0.000 0.000 0.258 387 D C -1.774 174.611 176.300 0.143 0.000 1.223 387 D CA -1.920 52.149 54.000 0.114 0.000 0.886 387 D CB 1.570 42.436 40.800 0.110 0.000 1.120 387 D HN 0.110 nan 8.370 nan 0.000 0.482 388 P HA -0.100 nan 4.420 nan 0.000 0.216 388 P C 1.003 178.393 177.300 0.150 0.000 1.150 388 P CA 0.878 64.127 63.100 0.250 0.000 0.837 388 P CB 0.013 31.921 31.700 0.347 0.000 0.786 389 F N -1.825 118.228 119.950 0.171 0.000 2.802 389 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 389 F C 1.873 177.639 175.800 -0.057 0.000 1.168 389 F CA 0.627 58.662 58.000 0.060 0.000 1.433 389 F CB -0.223 38.866 39.000 0.149 0.000 1.115 389 F HN -0.225 nan 8.300 nan 0.000 0.582 390 V N -1.844 118.114 119.914 0.074 0.000 2.840 390 V HA 0.172 4.292 4.120 -0.000 0.000 0.234 390 V C 2.366 178.425 176.094 -0.058 0.000 1.159 390 V CA 1.222 63.532 62.300 0.016 0.000 1.194 390 V CB -0.703 31.149 31.823 0.049 0.000 0.971 390 V HN 0.201 nan 8.190 nan 0.000 0.494 391 G N -0.649 108.125 108.800 -0.044 0.000 2.464 391 G HA2 0.318 4.278 3.960 -0.000 0.000 0.217 391 G HA3 0.318 4.278 3.960 -0.000 0.000 0.217 391 G C 1.205 176.032 174.900 -0.121 0.000 1.138 391 G CA 1.141 46.204 45.100 -0.062 0.000 0.793 391 G HN 0.863 nan 8.290 nan 0.000 0.539 392 G N 0.277 108.963 108.800 -0.190 0.000 2.651 392 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.315 392 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.315 392 G C 1.496 176.332 174.900 -0.107 0.000 1.258 392 G CA 2.385 47.296 45.100 -0.315 0.000 1.002 392 G HN 1.214 nan 8.290 nan 0.000 0.551 393 T N -0.515 113.969 114.554 -0.118 0.000 3.160 393 T HA 0.409 4.759 4.350 -0.000 0.000 0.257 393 T C 1.971 176.641 174.700 -0.050 0.000 1.147 393 T CA 1.422 63.491 62.100 -0.052 0.000 1.064 393 T CB 0.062 68.894 68.868 -0.060 0.000 0.949 393 T HN 0.477 nan 8.240 nan 0.000 0.526 394 L N 0.098 121.284 121.223 -0.062 0.000 2.769 394 L HA 0.498 4.838 4.340 -0.000 0.000 0.240 394 L C 2.599 179.450 176.870 -0.031 0.000 1.163 394 L CA -0.011 54.803 54.840 -0.044 0.000 0.962 394 L CB -0.284 41.746 42.059 -0.047 0.000 1.258 394 L HN 0.290 nan 8.230 nan 0.000 0.513 395 A N 0.990 123.797 122.820 -0.023 0.000 1.883 395 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 395 A C 1.562 179.144 177.584 -0.003 0.000 1.186 395 A CA 1.901 53.935 52.037 -0.006 0.000 0.624 395 A CB -0.514 18.496 19.000 0.017 0.000 0.822 395 A HN 0.555 nan 8.150 nan 0.000 0.444 396 N N -0.876 117.821 118.700 -0.003 0.000 2.295 396 N HA 0.196 4.936 4.740 -0.000 0.000 0.221 396 N C -0.326 175.177 175.510 -0.011 0.000 1.129 396 N CA -0.119 52.929 53.050 -0.004 0.000 0.836 396 N CB 0.384 38.870 38.487 -0.001 0.000 1.040 396 N HN 0.351 nan 8.380 nan 0.000 0.494 397 R N 0.142 120.633 120.500 -0.015 0.000 2.670 397 R HA 0.419 4.759 4.340 -0.000 0.000 0.289 397 R C 0.092 176.379 176.300 -0.022 0.000 0.965 397 R CA -0.707 55.381 56.100 -0.020 0.000 0.899 397 R CB 1.330 31.617 30.300 -0.023 0.000 1.173 397 R HN 0.089 nan 8.270 nan 0.000 0.456 398 M N 0.311 119.896 119.600 -0.025 0.000 2.872 398 M HA -0.265 4.215 4.480 -0.000 0.000 0.200 398 M C -0.564 175.722 176.300 -0.023 0.000 0.582 398 M CA 1.059 56.342 55.300 -0.028 0.000 0.706 398 M CB -1.221 31.358 32.600 -0.035 0.000 2.560 398 M HN 0.549 nan 8.290 nan 0.000 0.476 399 R N 0.538 121.027 120.500 -0.017 0.000 2.438 399 R HA 0.395 4.735 4.340 -0.000 0.000 0.287 399 R C 1.370 177.663 176.300 -0.012 0.000 1.077 399 R CA 0.842 56.934 56.100 -0.013 0.000 1.034 399 R CB 0.544 30.839 30.300 -0.008 0.000 0.993 399 R HN 0.483 nan 8.270 nan 0.000 0.459 400 G N 1.407 110.202 108.800 -0.009 0.000 2.143 400 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 400 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 400 G C 0.123 175.018 174.900 -0.008 0.000 0.991 400 G CA 0.540 45.636 45.100 -0.006 0.000 0.689 400 G HN 0.739 nan 8.290 nan 0.000 0.522 401 T N -4.052 110.495 114.554 -0.012 0.000 2.930 401 T HA 0.817 5.167 4.350 -0.000 0.000 0.290 401 T C 1.517 176.211 174.700 -0.011 0.000 1.052 401 T CA 0.350 62.442 62.100 -0.014 0.000 1.017 401 T CB 1.767 70.620 68.868 -0.025 0.000 1.137 401 T HN 1.441 nan 8.240 nan 0.000 0.511 402 A N 0.847 123.666 122.820 -0.001 0.000 2.042 402 A HA 0.087 4.407 4.320 -0.000 0.000 0.222 402 A C 2.420 179.986 177.584 -0.031 0.000 1.167 402 A CA 2.136 54.184 52.037 0.019 0.000 0.649 402 A CB -1.424 17.606 19.000 0.050 0.000 0.809 402 A HN 1.349 nan 8.150 nan 0.000 0.457 403 A N -0.615 122.174 122.820 -0.052 0.000 2.119 403 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 403 A C 1.073 178.608 177.584 -0.081 0.000 1.152 403 A CA 0.602 52.588 52.037 -0.084 0.000 0.708 403 A CB -0.323 18.635 19.000 -0.071 0.000 0.805 403 A HN 0.638 nan 8.150 nan 0.000 0.460 404 E N -0.109 120.057 120.200 -0.056 0.000 2.493 404 E HA 0.267 4.617 4.350 -0.000 0.000 0.255 404 E C 1.195 177.764 176.600 -0.052 0.000 0.999 404 E CA 0.577 56.952 56.400 -0.042 0.000 0.934 404 E CB -0.207 29.479 29.700 -0.023 0.000 0.940 404 E HN 0.667 nan 8.360 nan 0.000 0.473 405 G N 2.674 111.447 108.800 -0.044 0.000 2.184 405 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.264 405 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.264 405 G C 0.663 175.523 174.900 -0.066 0.000 0.975 405 G CA 0.403 45.479 45.100 -0.040 0.000 0.642 405 G HN 0.476 nan 8.290 nan 0.000 0.536 406 V N -0.109 119.735 119.914 -0.116 0.000 2.735 406 V HA 0.215 4.334 4.120 -0.000 0.000 0.234 406 V C 1.826 177.869 176.094 -0.086 0.000 1.121 406 V CA 0.885 63.071 62.300 -0.190 0.000 1.160 406 V CB 0.134 31.659 31.823 -0.497 0.000 0.908 406 V HN 0.215 nan 8.190 nan 0.000 0.495 407 V N 2.317 122.197 119.914 -0.056 0.000 2.529 407 V HA 0.056 4.176 4.120 -0.000 0.000 0.292 407 V C -0.021 176.110 176.094 0.061 0.000 1.028 407 V CA 0.368 62.695 62.300 0.045 0.000 1.074 407 V CB 0.082 31.935 31.823 0.049 0.000 0.958 407 V HN 0.550 nan 8.190 nan 0.000 0.481 408 E N 3.954 124.219 120.200 0.109 0.000 2.114 408 E HA 0.729 5.079 4.350 -0.000 0.000 0.266 408 E C -0.386 176.211 176.600 -0.006 0.000 0.896 408 E CA -0.335 56.097 56.400 0.053 0.000 0.750 408 E CB 1.813 31.565 29.700 0.088 0.000 1.121 408 E HN 0.824 nan 8.360 nan 0.000 0.413 409 A N 2.993 125.763 122.820 -0.083 0.000 2.540 409 A HA 0.491 4.811 4.320 -0.000 0.000 0.297 409 A C -1.190 176.274 177.584 -0.200 0.000 1.056 409 A CA -0.916 51.013 52.037 -0.179 0.000 0.700 409 A CB 1.434 20.400 19.000 -0.058 0.000 1.280 409 A HN 0.383 nan 8.150 nan 0.000 0.398 410 K N 1.180 121.419 120.400 -0.268 0.000 2.218 410 K HA 0.588 4.908 4.320 -0.000 0.000 0.276 410 K C 0.535 177.037 176.600 -0.163 0.000 1.022 410 K CA 0.594 56.739 56.287 -0.235 0.000 0.946 410 K CB 0.616 32.954 32.500 -0.270 0.000 1.000 410 K HN 0.874 nan 8.250 nan 0.000 0.468 411 T N -0.175 114.300 114.554 -0.131 0.000 2.912 411 T HA 0.806 5.155 4.350 -0.000 0.000 0.280 411 T C 0.133 174.787 174.700 -0.076 0.000 0.989 411 T CA -0.782 61.266 62.100 -0.087 0.000 0.995 411 T CB 1.660 70.483 68.868 -0.076 0.000 1.077 411 T HN 0.548 nan 8.240 nan 0.000 0.531 412 G N 0.237 109.004 108.800 -0.055 0.000 2.659 412 G HA2 0.542 4.502 3.960 -0.000 0.000 0.291 412 G HA3 0.542 4.502 3.960 -0.000 0.000 0.291 412 G C -1.164 173.712 174.900 -0.040 0.000 1.379 412 G CA -0.700 44.372 45.100 -0.047 0.000 1.254 412 G HN 0.848 nan 8.290 nan 0.000 0.590 413 T N 2.528 117.047 114.554 -0.059 0.000 2.952 413 T HA 0.763 5.113 4.350 -0.000 0.000 0.305 413 T C 0.094 174.740 174.700 -0.090 0.000 1.064 413 T CA -0.604 61.466 62.100 -0.051 0.000 1.008 413 T CB 1.657 70.496 68.868 -0.048 0.000 1.078 413 T HN 1.010 nan 8.240 nan 0.000 0.459 414 M N -0.547 119.013 119.600 -0.066 0.000 3.008 414 M HA 0.662 5.142 4.480 -0.000 0.000 0.271 414 M C -0.404 175.875 176.300 -0.036 0.000 1.265 414 M CA -1.102 54.140 55.300 -0.097 0.000 0.817 414 M CB 1.637 34.140 32.600 -0.162 0.000 1.638 414 M HN 0.413 nan 8.290 nan 0.000 0.479 415 S N 0.570 116.262 115.700 -0.013 0.000 2.811 415 S HA 0.351 4.821 4.470 -0.000 0.000 0.325 415 S C 1.253 175.842 174.600 -0.018 0.000 1.224 415 S CA 1.864 60.083 58.200 0.031 0.000 1.125 415 S CB -1.187 62.100 63.200 0.144 0.000 0.867 415 S HN 1.755 nan 8.310 nan 0.000 0.512 416 G N 2.895 111.631 108.800 -0.105 0.000 2.184 416 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 416 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 416 G C 0.011 174.743 174.900 -0.279 0.000 0.975 416 G CA 0.199 45.099 45.100 -0.334 0.000 0.642 416 G HN 1.195 nan 8.290 nan 0.000 0.536 417 V N 0.033 119.942 119.914 -0.008 0.000 2.577 417 V HA 0.841 4.961 4.120 -0.000 0.000 0.303 417 V C -0.067 176.120 176.094 0.155 0.000 1.042 417 V CA -0.028 62.334 62.300 0.103 0.000 0.872 417 V CB 1.889 33.719 31.823 0.011 0.000 0.998 417 V HN 0.665 nan 8.190 nan 0.000 0.423 418 S N 2.567 118.371 115.700 0.173 0.000 2.541 418 S HA 0.945 5.415 4.470 -0.000 0.000 0.271 418 S C -1.006 173.608 174.600 0.022 0.000 1.133 418 S CA 0.245 58.478 58.200 0.055 0.000 0.876 418 S CB 1.909 65.100 63.200 -0.015 0.000 1.105 418 S HN 1.548 nan 8.310 nan 0.000 0.470 419 A N 2.249 125.070 122.820 0.000 0.000 2.589 419 A HA 0.827 5.147 4.320 -0.000 0.000 0.296 419 A C -2.108 175.471 177.584 -0.008 0.000 1.062 419 A CA -0.526 51.513 52.037 0.003 0.000 0.686 419 A CB 1.625 20.630 19.000 0.010 0.000 1.282 419 A HN 1.062 nan 8.150 nan 0.000 0.404 420 L N 1.046 122.277 121.223 0.013 0.000 2.516 420 L HA 0.783 5.123 4.340 -0.000 0.000 0.267 420 L C -0.930 175.915 176.870 -0.041 0.000 0.957 420 L CA 0.344 55.197 54.840 0.022 0.000 0.860 420 L CB 2.143 44.274 42.059 0.120 0.000 1.265 420 L HN 0.681 nan 8.230 nan 0.000 0.403 421 S N 2.655 118.183 115.700 -0.286 0.000 2.548 421 S HA 0.998 5.468 4.470 -0.000 0.000 0.276 421 S C -0.247 173.826 174.600 -0.878 0.000 1.129 421 S CA -0.088 57.724 58.200 -0.646 0.000 0.931 421 S CB 1.820 64.804 63.200 -0.361 0.000 1.068 421 S HN 1.104 nan 8.310 nan 0.000 0.480 422 G N 1.248 109.160 108.800 -1.479 0.000 2.474 422 G HA2 0.509 4.469 3.960 -0.000 0.000 0.234 422 G HA3 0.509 4.469 3.960 -0.000 0.000 0.234 422 G C -2.412 171.961 174.900 -0.878 0.000 1.204 422 G CA -0.483 44.012 45.100 -1.010 0.000 0.939 422 G HN 0.461 nan 8.290 nan 0.000 0.491 423 Y N -0.905 119.349 120.300 -0.076 0.000 2.468 423 Y HA 0.634 5.184 4.550 -0.000 0.000 0.342 423 Y C 0.045 176.098 175.900 0.256 0.000 1.021 423 Y CA -0.883 57.288 58.100 0.120 0.000 1.079 423 Y CB 2.655 41.159 38.460 0.074 0.000 1.226 423 Y HN 0.259 nan 8.280 nan 0.000 0.460 424 V N 4.583 124.755 119.914 0.431 0.000 2.284 424 V HA 0.339 4.459 4.120 -0.000 0.000 0.274 424 V C -2.429 173.814 176.094 0.248 0.000 1.023 424 V CA -2.172 60.295 62.300 0.279 0.000 0.808 424 V CB 0.752 32.705 31.823 0.215 0.000 1.035 424 V HN 0.555 nan 8.190 nan 0.000 0.445 425 P HA 0.478 nan 4.420 nan 0.000 0.271 425 P C 0.270 177.740 177.300 0.283 0.000 1.233 425 P CA 0.273 63.477 63.100 0.173 0.000 0.789 425 P CB 0.833 32.599 31.700 0.110 0.000 0.951 426 G N 0.297 109.211 108.800 0.190 0.000 2.519 426 G HA2 0.344 4.304 3.960 -0.000 0.000 0.292 426 G HA3 0.344 4.304 3.960 -0.000 0.000 0.292 426 G C -2.491 172.432 174.900 0.037 0.000 1.507 426 G CA -0.717 44.457 45.100 0.124 0.000 0.806 426 G HN 0.212 nan 8.290 nan 0.000 0.523 427 P HA -0.049 nan 4.420 nan 0.000 0.216 427 P C 1.335 178.623 177.300 -0.020 0.000 1.153 427 P CA 1.544 64.632 63.100 -0.020 0.000 0.844 427 P CB 0.275 31.948 31.700 -0.044 0.000 0.787 428 E N 0.526 120.704 120.200 -0.037 0.000 1.998 428 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 428 E C 1.138 177.741 176.600 0.005 0.000 0.994 428 E CA 0.714 57.098 56.400 -0.028 0.000 0.835 428 E CB -0.981 28.684 29.700 -0.059 0.000 0.786 428 E HN 0.120 nan 8.360 nan 0.000 0.467 429 G N 0.721 109.538 108.800 0.028 0.000 2.566 429 G HA2 0.331 4.291 3.960 -0.000 0.000 0.311 429 G HA3 0.331 4.291 3.960 -0.000 0.000 0.311 429 G C -1.649 173.314 174.900 0.104 0.000 1.322 429 G CA -0.682 44.459 45.100 0.069 0.000 0.969 429 G HN 0.204 nan 8.290 nan 0.000 0.490 430 E N 1.724 121.985 120.200 0.103 0.000 2.152 430 E HA 0.403 4.752 4.350 -0.000 0.000 0.285 430 E C -0.617 176.094 176.600 0.184 0.000 1.043 430 E CA -0.505 55.974 56.400 0.131 0.000 0.839 430 E CB 0.733 30.479 29.700 0.078 0.000 1.069 430 E HN 0.119 nan 8.360 nan 0.000 0.399 431 L N 3.720 125.086 121.223 0.238 0.000 2.307 431 L HA 0.640 4.980 4.340 -0.000 0.000 0.282 431 L C -0.168 176.906 176.870 0.340 0.000 1.051 431 L CA -0.649 54.346 54.840 0.259 0.000 0.804 431 L CB 1.322 43.524 42.059 0.239 0.000 1.197 431 L HN 0.723 nan 8.230 nan 0.000 0.431 432 A N 4.064 127.046 122.820 0.270 0.000 2.318 432 A HA 0.812 5.132 4.320 -0.000 0.000 0.324 432 A C -0.924 176.767 177.584 0.178 0.000 1.170 432 A CA -0.389 51.751 52.037 0.171 0.000 0.810 432 A CB 0.486 19.562 19.000 0.126 0.000 1.198 432 A HN 0.564 nan 8.150 nan 0.000 0.484 433 F N 0.563 120.480 119.950 -0.055 0.000 2.613 433 F HA 0.856 5.383 4.527 -0.000 0.000 0.314 433 F C -0.449 175.316 175.800 -0.058 0.000 1.075 433 F CA -0.882 57.094 58.000 -0.039 0.000 0.945 433 F CB 1.779 40.759 39.000 -0.034 0.000 1.310 433 F HN 0.444 nan 8.300 nan 0.000 0.467 434 S N 2.706 118.466 115.700 0.100 0.000 2.677 434 S HA 0.736 5.206 4.470 -0.000 0.000 0.283 434 S C -1.468 173.218 174.600 0.143 0.000 1.159 434 S CA -0.494 57.716 58.200 0.016 0.000 1.001 434 S CB 0.756 63.952 63.200 -0.008 0.000 1.032 434 S HN 0.658 nan 8.310 nan 0.000 0.487 435 I N 4.698 125.352 120.570 0.141 0.000 2.411 435 I HA 0.485 4.654 4.170 -0.000 0.000 0.284 435 I C -0.923 175.233 176.117 0.065 0.000 1.012 435 I CA -0.758 60.610 61.300 0.113 0.000 1.119 435 I CB 1.914 39.985 38.000 0.119 0.000 1.261 435 I HN 0.299 nan 8.210 nan 0.000 0.448 436 V N 5.958 125.908 119.914 0.060 0.000 2.444 436 V HA 0.431 4.551 4.120 -0.000 0.000 0.294 436 V C -0.406 175.720 176.094 0.054 0.000 1.022 436 V CA -0.737 61.594 62.300 0.052 0.000 0.850 436 V CB 1.642 33.499 31.823 0.056 0.000 0.992 436 V HN 0.639 nan 8.190 nan 0.000 0.426 437 N N 4.526 123.259 118.700 0.055 0.000 2.417 437 N HA 0.483 5.223 4.740 -0.000 0.000 0.274 437 N C -0.983 174.646 175.510 0.200 0.000 0.987 437 N CA -0.355 52.742 53.050 0.077 0.000 0.912 437 N CB 2.067 40.520 38.487 -0.057 0.000 1.177 437 N HN 0.691 nan 8.380 nan 0.000 0.490 438 N N -0.314 118.502 118.700 0.194 0.000 2.262 438 N HA 0.407 5.147 4.740 -0.000 0.000 0.295 438 N C 0.462 176.049 175.510 0.128 0.000 1.161 438 N CA -0.517 52.621 53.050 0.148 0.000 0.767 438 N CB 2.461 40.988 38.487 0.066 0.000 1.499 438 N HN 0.643 nan 8.380 nan 0.000 0.476 439 G N 0.903 109.690 108.800 -0.022 0.000 2.179 439 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.260 439 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.260 439 G C -0.050 174.836 174.900 -0.023 0.000 0.977 439 G CA 0.249 45.328 45.100 -0.036 0.000 0.641 439 G HN 0.867 nan 8.290 nan 0.000 0.533 440 H N 0.112 119.190 119.070 0.012 0.000 2.764 440 H HA 0.591 5.147 4.556 -0.000 0.000 0.341 440 H C 0.918 176.253 175.328 0.010 0.000 1.072 440 H CA 0.308 56.362 56.048 0.009 0.000 1.444 440 H CB 1.061 30.827 29.762 0.006 0.000 1.458 440 H HN 0.015 nan 8.280 nan 0.000 0.572 441 S N 1.861 117.594 115.700 0.055 0.000 2.548 441 S HA 0.160 4.629 4.470 -0.000 0.000 0.215 441 S C 1.253 175.871 174.600 0.030 0.000 0.976 441 S CA 0.146 58.350 58.200 0.006 0.000 0.908 441 S CB 0.359 63.568 63.200 0.016 0.000 0.781 441 S HN 0.909 nan 8.310 nan 0.000 0.519 442 G N 1.607 110.464 108.800 0.094 0.000 3.122 442 G HA2 0.592 4.552 3.960 -0.000 0.000 0.180 442 G HA3 0.592 4.552 3.960 -0.000 0.000 0.180 442 G C -2.949 172.031 174.900 0.134 0.000 1.279 442 G CA -1.351 43.801 45.100 0.087 0.000 0.987 442 G HN 0.089 nan 8.290 nan 0.000 0.589 443 P HA 0.400 nan 4.420 nan 0.000 0.269 443 P C -0.032 177.319 177.300 0.085 0.000 1.215 443 P CA -0.090 63.054 63.100 0.073 0.000 0.780 443 P CB 0.606 32.323 31.700 0.028 0.000 0.898 444 A N 4.272 127.129 122.820 0.062 0.000 2.567 444 A HA 0.176 4.496 4.320 -0.000 0.000 0.240 444 A C -1.620 175.894 177.584 -0.117 0.000 1.053 444 A CA -0.607 51.412 52.037 -0.030 0.000 0.755 444 A CB -1.046 17.952 19.000 -0.003 0.000 0.978 444 A HN 0.431 nan 8.150 nan 0.000 0.507 445 P HA 0.149 nan 4.420 nan 0.000 0.226 445 P C 0.596 177.825 177.300 -0.118 0.000 1.783 445 P CA 0.002 62.996 63.100 -0.175 0.000 0.980 445 P CB 0.016 31.571 31.700 -0.242 0.000 1.967 446 L N 0.654 121.827 121.223 -0.083 0.000 2.109 446 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 446 L C 2.492 179.329 176.870 -0.055 0.000 1.086 446 L CA 1.476 56.280 54.840 -0.061 0.000 0.760 446 L CB -0.891 41.140 42.059 -0.046 0.000 0.910 446 L HN 0.131 nan 8.230 nan 0.000 0.437 447 A N -0.183 122.605 122.820 -0.053 0.000 1.969 447 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 447 A C 2.343 179.891 177.584 -0.059 0.000 1.169 447 A CA 1.360 53.368 52.037 -0.049 0.000 0.635 447 A CB -0.641 18.334 19.000 -0.041 0.000 0.810 447 A HN 0.188 nan 8.150 nan 0.000 0.445 448 V N -0.042 119.833 119.914 -0.066 0.000 2.295 448 V HA -0.338 3.782 4.120 -0.000 0.000 0.246 448 V C 2.653 178.699 176.094 -0.081 0.000 1.049 448 V CA 2.345 64.601 62.300 -0.074 0.000 1.024 448 V CB -0.940 30.836 31.823 -0.079 0.000 0.648 448 V HN 0.657 nan 8.190 nan 0.000 0.447 449 Q N -0.445 119.313 119.800 -0.071 0.000 2.084 449 Q HA -0.226 4.113 4.340 -0.000 0.000 0.202 449 Q C 2.090 178.046 176.000 -0.074 0.000 0.978 449 Q CA 1.803 57.572 55.803 -0.056 0.000 0.844 449 Q CB -0.279 28.443 28.738 -0.027 0.000 0.898 449 Q HN 0.628 nan 8.270 nan 0.000 0.426 450 D N 0.548 120.909 120.400 -0.066 0.000 2.097 450 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 450 D C 1.827 178.071 176.300 -0.093 0.000 0.989 450 D CA 1.383 55.341 54.000 -0.070 0.000 0.827 450 D CB -0.295 40.474 40.800 -0.052 0.000 0.966 450 D HN 0.261 nan 8.370 nan 0.000 0.456 451 A N 0.881 123.647 122.820 -0.089 0.000 1.908 451 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 451 A C 2.403 179.908 177.584 -0.132 0.000 1.181 451 A CA 1.076 53.056 52.037 -0.095 0.000 0.627 451 A CB -0.746 18.206 19.000 -0.081 0.000 0.818 451 A HN 0.206 nan 8.150 nan 0.000 0.445 452 I N -0.409 120.061 120.570 -0.166 0.000 2.163 452 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 452 I C 3.001 178.930 176.117 -0.313 0.000 1.081 452 I CA 1.076 62.234 61.300 -0.236 0.000 1.353 452 I CB -0.495 37.356 38.000 -0.249 0.000 1.054 452 I HN 0.353 nan 8.210 nan 0.000 0.407 453 A N 0.484 123.091 122.820 -0.355 0.000 1.940 453 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 453 A C 2.441 179.873 177.584 -0.254 0.000 1.176 453 A CA 1.801 53.569 52.037 -0.449 0.000 0.631 453 A CB -0.940 17.862 19.000 -0.331 0.000 0.814 453 A HN 0.268 nan 8.150 nan 0.000 0.446 454 V N -0.160 119.656 119.914 -0.163 0.000 2.307 454 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 454 V C 2.648 178.698 176.094 -0.074 0.000 1.045 454 V CA 2.272 64.514 62.300 -0.096 0.000 1.024 454 V CB -0.737 31.044 31.823 -0.070 0.000 0.651 454 V HN 0.652 nan 8.190 nan 0.000 0.449 455 R N 0.336 120.778 120.500 -0.097 0.000 2.127 455 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 455 R C 1.967 178.243 176.300 -0.040 0.000 1.134 455 R CA 1.691 57.751 56.100 -0.068 0.000 0.975 455 R CB -0.673 29.565 30.300 -0.104 0.000 0.865 455 R HN 0.499 nan 8.270 nan 0.000 0.447 456 L N -0.635 120.524 121.223 -0.106 0.000 2.072 456 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 456 L C 2.463 179.375 176.870 0.070 0.000 1.079 456 L CA 1.126 55.928 54.840 -0.064 0.000 0.752 456 L CB -0.712 41.214 42.059 -0.222 0.000 0.906 456 L HN 0.313 nan 8.230 nan 0.000 0.436 457 A N 0.335 123.175 122.820 0.033 0.000 1.908 457 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 457 A C 2.123 179.832 177.584 0.209 0.000 1.181 457 A CA 1.871 53.989 52.037 0.136 0.000 0.627 457 A CB -0.492 18.520 19.000 0.019 0.000 0.818 457 A HN 0.462 nan 8.150 nan 0.000 0.445 458 E N -1.755 118.516 120.200 0.119 0.000 2.058 458 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 458 E C 1.897 178.555 176.600 0.098 0.000 0.997 458 E CA 1.584 58.041 56.400 0.095 0.000 0.801 458 E CB -0.358 29.380 29.700 0.063 0.000 0.746 458 E HN 0.779 nan 8.360 nan 0.000 0.450 459 Y N 0.873 121.177 120.300 0.007 0.000 2.207 459 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 459 Y C 2.080 177.982 175.900 0.004 0.000 1.156 459 Y CA 1.413 59.514 58.100 0.002 0.000 1.182 459 Y CB -0.089 38.371 38.460 -0.000 0.000 0.979 459 Y HN -0.005 nan 8.280 nan 0.000 0.521 460 A N -0.792 122.114 122.820 0.144 0.000 2.238 460 A HA 0.337 4.657 4.320 -0.000 0.000 0.208 460 A C 1.704 179.185 177.584 -0.171 0.000 1.177 460 A CA 0.867 52.937 52.037 0.055 0.000 0.804 460 A CB -1.171 17.958 19.000 0.214 0.000 0.823 460 A HN 0.900 nan 8.150 nan 0.000 0.482 461 G N -1.212 107.481 108.800 -0.178 0.000 2.134 461 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.209 461 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.209 461 G C -0.100 174.617 174.900 -0.305 0.000 0.993 461 G CA 0.037 44.987 45.100 -0.249 0.000 0.669 461 G HN 0.653 nan 8.290 nan 0.000 0.519 462 H N 0.011 119.079 119.070 -0.003 0.000 2.496 462 H HA 0.682 5.238 4.556 -0.000 0.000 0.342 462 H C 0.238 175.564 175.328 -0.004 0.000 1.170 462 H CA 0.124 56.172 56.048 -0.000 0.000 1.274 462 H CB 1.428 31.195 29.762 0.007 0.000 1.538 462 H HN 0.425 nan 8.280 nan 0.000 0.542 463 Q N -0.187 119.690 119.800 0.129 0.000 2.495 463 Q HA 0.553 4.893 4.340 -0.000 0.000 0.287 463 Q C -0.912 175.120 176.000 0.053 0.000 1.078 463 Q CA -1.165 54.677 55.803 0.065 0.000 0.793 463 Q CB 2.876 31.634 28.738 0.033 0.000 1.459 463 Q HN 0.781 nan 8.270 nan 0.000 0.422 464 A N 2.609 125.447 122.820 0.029 0.000 2.491 464 A HA 0.306 4.626 4.320 -0.000 0.000 0.261 464 A C -1.940 175.654 177.584 0.017 0.000 1.101 464 A CA -0.834 51.213 52.037 0.018 0.000 0.772 464 A CB -0.732 18.273 19.000 0.009 0.000 1.043 464 A HN 0.393 nan 8.150 nan 0.000 0.501 465 P HA 0.424 nan 4.420 nan 0.000 0.261 465 P C 0.002 177.309 177.300 0.012 0.000 1.173 465 P CA 1.206 64.316 63.100 0.016 0.000 0.760 465 P CB 0.405 32.112 31.700 0.012 0.000 0.783 466 E N 0.000 120.208 120.200 0.013 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440