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 2xs1_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATFISVQLKK TSEVDLAKPL VKFIQQTYPS GGEEQAQYCR AAEELSKLRR DATA SEQUENCE AAVGRPLDKH EGALETLLRY YDQICSIEPK FPFSENQICL TFTWKDAFDK DATA SEQUENCE GSLFGGSVKL ALASLGYEKS CVLFNCAALA SQIAAEQNLD NDEGLKIAAK DATA SEQUENCE HYQFASGAFL HIKETVLSAL SREPTVDISP DTVGTLSLIM LAQAQEVFFL DATA SEQUENCE KATRDKMKDA IIAKLANQAA DYFGDAFKQC QYKDTLPKEV FPVLAAKHCI DATA SEQUENCE MQANAEYHQS ILAKQQYYFG EEIARLQHAA ELIKTVASRY DEYVNVKDFS DATA SEQUENCE DKINRALAAA KKDNDFIYHD RVPDLKDLDP IGKATLVKST PVNVPISQKF DATA SEQUENCE TDLFEKMVPV SVQQSLAAYN QRKADLVNRS IAQMREATTL ANGVLASLNL DATA SEQUENCE PAAIEDVSGD TVPQSILTKS RSVIEQGGIQ TVDQLIKELP ELLQRNREIL DATA SEQUENCE DESLRLLDEE EATDNDLRAK FKERWQRTPS NELYKPLRAE GTNFRTVLDK DATA SEQUENCE AVQADGQVKE CYQSHRDTIV LLCKPEPELN AAIPSANPAK TMQGSEVVNV DATA SEQUENCE LKSLLSNLDE VKKEREGLEN DLKSVNFDMT SKFLTALAQD GVINEEALSV DATA SEQUENCE TELDRVYGGL TTKVQESLKK QEGLLKNIQV SHQEFSKMKQ SNNEANLREE DATA SEQUENCE VLKNLATAYD NFVELVANLK EGTKFYNELT EILVRFQNKC SDIVFAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.690 177.584 0.177 0.000 1.274 2 A CA 0.000 52.131 52.037 0.157 0.000 0.836 2 A CB 0.000 19.135 19.000 0.226 0.000 0.831 3 T N 1.281 115.846 114.554 0.018 0.000 2.853 3 T HA 0.640 4.991 4.350 0.002 0.000 0.317 3 T C -0.597 174.038 174.700 -0.109 0.000 1.059 3 T CA -0.018 62.101 62.100 0.031 0.000 0.954 3 T CB -0.138 68.738 68.868 0.013 0.000 0.994 3 T HN 0.303 nan 8.240 nan 0.000 0.479 4 F N 1.771 121.778 119.950 0.094 0.000 2.480 4 F HA 0.567 5.095 4.527 0.001 0.000 0.329 4 F C 0.531 176.404 175.800 0.121 0.000 1.091 4 F CA -1.518 56.550 58.000 0.114 0.000 0.972 4 F CB 1.077 40.204 39.000 0.211 0.000 1.150 4 F HN 0.382 nan 8.300 nan 0.000 0.467 5 I N 2.408 123.135 120.570 0.262 0.000 2.496 5 I HA 0.249 4.421 4.170 0.002 0.000 0.285 5 I C 0.152 176.429 176.117 0.267 0.000 1.080 5 I CA 0.268 61.687 61.300 0.198 0.000 1.404 5 I CB 0.681 38.753 38.000 0.120 0.000 1.403 5 I HN 0.652 nan 8.210 nan 0.000 0.539 6 S N 5.149 120.987 115.700 0.229 0.000 2.667 6 S HA 0.799 5.270 4.470 0.002 0.000 0.292 6 S C -0.791 173.937 174.600 0.214 0.000 1.126 6 S CA -0.856 57.485 58.200 0.234 0.000 0.881 6 S CB 2.012 65.337 63.200 0.209 0.000 1.132 6 S HN 0.245 nan 8.310 nan 0.000 0.492 7 V N 1.795 121.847 119.914 0.230 0.000 2.555 7 V HA 0.476 4.598 4.120 0.002 0.000 0.302 7 V C -0.319 175.929 176.094 0.257 0.000 1.038 7 V CA -0.752 61.721 62.300 0.287 0.000 0.887 7 V CB 1.734 33.731 31.823 0.290 0.000 0.991 7 V HN 0.850 nan 8.190 nan 0.000 0.434 8 Q N 2.607 122.592 119.800 0.308 0.000 2.299 8 Q HA 0.459 4.801 4.340 0.002 0.000 0.246 8 Q C -0.478 175.661 176.000 0.231 0.000 0.935 8 Q CA -0.323 55.618 55.803 0.230 0.000 0.887 8 Q CB 1.652 30.520 28.738 0.216 0.000 1.223 8 Q HN 0.560 nan 8.270 nan 0.000 0.439 9 L N 2.037 123.371 121.223 0.185 0.000 2.456 9 L HA 0.119 4.460 4.340 0.002 0.000 0.272 9 L C 1.024 178.003 176.870 0.183 0.000 1.189 9 L CA 0.102 55.066 54.840 0.207 0.000 0.846 9 L CB 0.151 42.307 42.059 0.162 0.000 1.111 9 L HN 0.290 nan 8.230 nan 0.000 0.475 10 K N 2.442 122.970 120.400 0.214 0.000 2.382 10 K HA 0.096 4.417 4.320 0.002 0.000 0.275 10 K C -0.390 176.380 176.600 0.282 0.000 1.009 10 K CA -0.135 56.261 56.287 0.182 0.000 0.970 10 K CB 0.703 33.294 32.500 0.151 0.000 0.934 10 K HN 0.346 nan 8.250 nan 0.000 0.479 11 K N 0.958 121.467 120.400 0.183 0.000 2.130 11 K HA 0.227 4.548 4.320 0.002 0.000 0.268 11 K C -0.280 176.277 176.600 -0.072 0.000 0.983 11 K CA -0.155 56.166 56.287 0.056 0.000 0.893 11 K CB 1.843 34.354 32.500 0.018 0.000 1.066 11 K HN 0.389 nan 8.250 nan 0.000 0.450 12 T N 0.569 114.888 114.554 -0.392 0.000 2.909 12 T HA 0.409 4.760 4.350 0.002 0.000 0.299 12 T C -1.051 173.402 174.700 -0.411 0.000 1.073 12 T CA -0.814 60.851 62.100 -0.726 0.000 0.999 12 T CB 0.767 68.537 68.868 -1.831 0.000 1.098 12 T HN 0.613 nan 8.240 nan 0.000 0.477 13 S N 2.735 118.253 115.700 -0.303 0.000 2.584 13 S HA 0.402 4.874 4.470 0.002 0.000 0.273 13 S C 0.114 174.607 174.600 -0.179 0.000 1.311 13 S CA -0.873 57.217 58.200 -0.183 0.000 1.034 13 S CB 0.941 64.074 63.200 -0.112 0.000 0.939 13 S HN 0.850 nan 8.310 nan 0.000 0.513 14 E N 1.087 121.210 120.200 -0.128 0.000 2.414 14 E HA 0.321 4.672 4.350 0.002 0.000 0.263 14 E C -0.295 176.263 176.600 -0.070 0.000 1.000 14 E CA -0.679 55.663 56.400 -0.097 0.000 0.914 14 E CB 0.467 30.123 29.700 -0.073 0.000 0.948 14 E HN 0.644 nan 8.360 nan 0.000 0.444 15 V N 1.264 121.150 119.914 -0.046 0.000 2.962 15 V HA 0.351 4.472 4.120 0.002 0.000 0.313 15 V C -0.501 175.582 176.094 -0.018 0.000 1.099 15 V CA -1.202 61.072 62.300 -0.045 0.000 0.971 15 V CB 1.878 33.654 31.823 -0.079 0.000 1.028 15 V HN 0.696 nan 8.190 nan 0.000 0.430 16 D N 2.255 122.640 120.400 -0.025 0.000 2.359 16 D HA 0.248 4.890 4.640 0.002 0.000 0.250 16 D C 0.846 177.154 176.300 0.014 0.000 1.264 16 D CA 0.242 54.241 54.000 -0.002 0.000 0.911 16 D CB 1.011 41.808 40.800 -0.006 0.000 1.056 16 D HN 0.685 nan 8.370 nan 0.000 0.499 17 L N 3.318 124.572 121.223 0.051 0.000 2.044 17 L HA -0.119 4.223 4.340 0.002 0.000 0.205 17 L C 2.308 179.220 176.870 0.070 0.000 1.075 17 L CA 1.048 55.940 54.840 0.085 0.000 0.747 17 L CB -0.245 41.900 42.059 0.143 0.000 0.903 17 L HN 0.466 nan 8.230 nan 0.000 0.435 18 A N 0.398 123.265 122.820 0.079 0.000 1.849 18 A HA -0.322 4.000 4.320 0.002 0.000 0.217 18 A C 2.276 179.907 177.584 0.078 0.000 1.202 18 A CA 2.309 54.401 52.037 0.091 0.000 0.629 18 A CB -0.767 18.287 19.000 0.089 0.000 0.834 18 A HN 0.400 nan 8.150 nan 0.000 0.447 19 K N -0.262 120.173 120.400 0.058 0.000 2.023 19 K HA -0.232 4.089 4.320 0.002 0.000 0.227 19 K C -0.979 175.661 176.600 0.066 0.000 1.054 19 K CA 2.487 58.807 56.287 0.054 0.000 0.977 19 K CB -1.459 31.059 32.500 0.030 0.000 0.733 19 K HN 0.371 nan 8.250 nan 0.000 0.451 20 P HA -0.072 nan 4.420 nan 0.000 0.226 20 P C 1.240 178.590 177.300 0.084 0.000 1.153 20 P CA 0.720 63.852 63.100 0.054 0.000 0.777 20 P CB 0.089 31.797 31.700 0.013 0.000 0.794 21 L N -1.098 120.158 121.223 0.055 0.000 2.049 21 L HA -0.044 4.298 4.340 0.002 0.000 0.203 21 L C 2.450 179.502 176.870 0.303 0.000 1.074 21 L CA 1.419 56.297 54.840 0.062 0.000 0.749 21 L CB -1.335 40.691 42.059 -0.055 0.000 0.907 21 L HN -0.196 nan 8.230 nan 0.000 0.439 22 V N -0.217 119.837 119.914 0.234 0.000 2.407 22 V HA -0.324 3.797 4.120 0.002 0.000 0.248 22 V C 2.656 178.888 176.094 0.229 0.000 1.055 22 V CA 1.913 64.359 62.300 0.242 0.000 1.049 22 V CB -0.309 31.612 31.823 0.163 0.000 0.662 22 V HN 0.510 nan 8.190 nan 0.000 0.455 23 K N -0.440 120.075 120.400 0.193 0.000 2.001 23 K HA -0.282 4.039 4.320 0.002 0.000 0.214 23 K C 2.149 178.871 176.600 0.204 0.000 1.050 23 K CA 2.534 58.919 56.287 0.163 0.000 0.934 23 K CB -0.499 32.080 32.500 0.132 0.000 0.718 23 K HN 0.437 nan 8.250 nan 0.000 0.443 24 F N 1.560 121.599 119.950 0.150 0.000 2.134 24 F HA -0.221 4.307 4.527 0.002 0.000 0.299 24 F C 1.844 177.788 175.800 0.240 0.000 1.097 24 F CA 1.179 59.286 58.000 0.178 0.000 1.264 24 F CB -0.092 39.044 39.000 0.228 0.000 1.001 24 F HN 0.026 nan 8.300 nan 0.000 0.479 25 I N 0.827 121.730 120.570 0.555 0.000 2.087 25 I HA -0.390 3.781 4.170 0.002 0.000 0.240 25 I C 2.342 178.633 176.117 0.290 0.000 1.054 25 I CA 1.996 63.607 61.300 0.518 0.000 1.311 25 I CB -1.545 36.749 38.000 0.489 0.000 1.024 25 I HN 0.375 nan 8.210 nan 0.000 0.402 26 Q N -0.132 119.770 119.800 0.170 0.000 2.119 26 Q HA -0.196 4.145 4.340 0.002 0.000 0.201 26 Q C 2.185 178.187 176.000 0.004 0.000 0.972 26 Q CA 1.044 56.906 55.803 0.099 0.000 0.847 26 Q CB -0.167 28.617 28.738 0.078 0.000 0.903 26 Q HN 0.561 nan 8.270 nan 0.000 0.433 27 Q N -0.356 119.397 119.800 -0.079 0.000 2.248 27 Q HA -0.128 4.214 4.340 0.002 0.000 0.208 27 Q C 0.883 176.716 176.000 -0.278 0.000 0.984 27 Q CA 1.444 57.146 55.803 -0.169 0.000 0.875 27 Q CB 0.128 28.740 28.738 -0.211 0.000 0.910 27 Q HN 0.294 nan 8.270 nan 0.000 0.433 28 T N -0.721 113.595 114.554 -0.396 0.000 3.129 28 T HA 0.197 4.549 4.350 0.002 0.000 0.267 28 T C -0.821 173.404 174.700 -0.791 0.000 1.018 28 T CA 0.063 61.783 62.100 -0.633 0.000 0.903 28 T CB 0.139 68.436 68.868 -0.952 0.000 1.067 28 T HN 0.089 nan 8.240 nan 0.000 0.549 29 Y N 0.257 120.486 120.300 -0.118 0.000 2.829 29 Y HA 0.507 5.059 4.550 0.002 0.000 0.322 29 Y C -2.681 173.175 175.900 -0.073 0.000 1.357 29 Y CA -2.676 55.369 58.100 -0.092 0.000 1.081 29 Y CB 0.364 38.757 38.460 -0.112 0.000 1.339 29 Y HN -0.188 nan 8.280 nan 0.000 0.469 30 P HA 0.212 nan 4.420 nan 0.000 0.286 30 P C -0.710 176.607 177.300 0.029 0.000 1.269 30 P CA -0.532 62.595 63.100 0.045 0.000 0.787 30 P CB 1.347 33.063 31.700 0.028 0.000 0.920 31 S N 2.339 118.051 115.700 0.020 0.000 2.544 31 S HA 0.313 4.785 4.470 0.002 0.000 0.290 31 S C 1.660 176.263 174.600 0.005 0.000 1.276 31 S CA 1.020 59.230 58.200 0.015 0.000 1.075 31 S CB -1.121 62.088 63.200 0.015 0.000 0.849 31 S HN 0.886 nan 8.310 nan 0.000 0.494 32 G N 3.659 112.459 108.800 0.001 0.000 2.302 32 G HA2 -0.249 3.712 3.960 0.002 0.000 0.263 32 G HA3 -0.249 3.712 3.960 0.002 0.000 0.263 32 G C 0.690 175.576 174.900 -0.023 0.000 0.995 32 G CA 0.385 45.480 45.100 -0.009 0.000 0.622 32 G HN 1.413 nan 8.290 nan 0.000 0.538 33 G N -0.128 108.658 108.800 -0.024 0.000 2.474 33 G HA2 0.349 4.310 3.960 0.002 0.000 0.233 33 G HA3 0.349 4.310 3.960 0.002 0.000 0.233 33 G C 0.733 175.581 174.900 -0.087 0.000 1.278 33 G CA 0.849 45.923 45.100 -0.043 0.000 0.861 33 G HN 0.705 nan 8.290 nan 0.000 0.567 34 E N 0.638 120.779 120.200 -0.099 0.000 2.331 34 E HA -0.166 4.185 4.350 0.002 0.000 0.199 34 E C 1.791 178.250 176.600 -0.235 0.000 1.008 34 E CA 1.288 57.613 56.400 -0.125 0.000 0.843 34 E CB 0.081 29.723 29.700 -0.096 0.000 0.761 34 E HN 0.617 nan 8.360 nan 0.000 0.507 35 E N 1.277 121.257 120.200 -0.367 0.000 2.013 35 E HA -0.282 4.069 4.350 0.002 0.000 0.202 35 E C 2.136 178.381 176.600 -0.592 0.000 1.018 35 E CA 1.850 57.767 56.400 -0.805 0.000 0.834 35 E CB -0.704 28.412 29.700 -0.975 0.000 0.770 35 E HN 0.589 nan 8.360 nan 0.000 0.459 36 Q N 0.799 120.416 119.800 -0.305 0.000 2.118 36 Q HA -0.223 4.118 4.340 0.002 0.000 0.211 36 Q C 2.267 178.228 176.000 -0.064 0.000 0.998 36 Q CA 1.855 57.595 55.803 -0.105 0.000 0.872 36 Q CB -0.679 28.037 28.738 -0.038 0.000 0.925 36 Q HN 0.284 nan 8.270 nan 0.000 0.414 37 A N 0.961 123.729 122.820 -0.087 0.000 1.971 37 A HA -0.304 4.018 4.320 0.002 0.000 0.222 37 A C 2.022 179.589 177.584 -0.028 0.000 1.182 37 A CA 2.188 54.195 52.037 -0.051 0.000 0.649 37 A CB -0.458 18.507 19.000 -0.059 0.000 0.818 37 A HN 0.500 nan 8.150 nan 0.000 0.458 38 Q N -2.959 116.830 119.800 -0.018 0.000 2.462 38 Q HA 0.107 4.448 4.340 0.002 0.000 0.224 38 Q C 1.956 178.008 176.000 0.087 0.000 0.911 38 Q CA 0.378 56.203 55.803 0.037 0.000 0.925 38 Q CB 0.066 28.846 28.738 0.071 0.000 1.063 38 Q HN 0.848 nan 8.270 nan 0.000 0.572 39 Y N -0.227 119.970 120.300 -0.172 0.000 2.114 39 Y HA -0.325 4.227 4.550 0.002 0.000 0.284 39 Y C 2.589 178.441 175.900 -0.081 0.000 1.143 39 Y CA 0.524 58.518 58.100 -0.176 0.000 1.135 39 Y CB -0.163 38.235 38.460 -0.103 0.000 0.980 39 Y HN 0.220 nan 8.280 nan 0.000 0.499 40 C N 0.085 119.484 119.300 0.165 0.000 2.419 40 C HA -0.152 4.309 4.460 0.002 0.000 0.281 40 C C 2.497 177.532 174.990 0.074 0.000 1.336 40 C CA 0.878 59.977 59.018 0.134 0.000 1.770 40 C CB -1.124 26.677 27.740 0.102 0.000 1.929 40 C HN 0.454 nan 8.230 nan 0.000 0.509 41 R N 0.649 121.164 120.500 0.026 0.000 2.236 41 R HA 0.048 4.390 4.340 0.002 0.000 0.208 41 R C 2.239 178.515 176.300 -0.041 0.000 1.036 41 R CA 1.086 57.185 56.100 -0.002 0.000 1.001 41 R CB -0.214 30.078 30.300 -0.013 0.000 0.896 41 R HN 0.541 nan 8.270 nan 0.000 0.464 42 A N 1.239 123.974 122.820 -0.141 0.000 1.874 42 A HA 0.065 4.386 4.320 0.002 0.000 0.214 42 A C 2.317 179.903 177.584 0.003 0.000 1.189 42 A CA 1.132 52.994 52.037 -0.292 0.000 0.615 42 A CB -0.458 17.923 19.000 -1.031 0.000 0.830 42 A HN 0.301 nan 8.150 nan 0.000 0.443 43 A N -0.310 122.606 122.820 0.159 0.000 2.019 43 A HA -0.133 4.189 4.320 0.002 0.000 0.219 43 A C 1.916 179.622 177.584 0.203 0.000 1.164 43 A CA 1.647 53.897 52.037 0.355 0.000 0.644 43 A CB -0.353 18.855 19.000 0.346 0.000 0.805 43 A HN 0.485 nan 8.150 nan 0.000 0.449 44 E N -0.325 119.953 120.200 0.129 0.000 2.015 44 E HA -0.194 4.157 4.350 0.002 0.000 0.191 44 E C 1.932 178.588 176.600 0.092 0.000 0.991 44 E CA 1.406 57.862 56.400 0.093 0.000 0.802 44 E CB -0.429 29.308 29.700 0.062 0.000 0.759 44 E HN 0.846 nan 8.360 nan 0.000 0.447 45 E N 0.540 120.790 120.200 0.083 0.000 2.265 45 E HA -0.169 4.182 4.350 0.002 0.000 0.196 45 E C 2.073 178.752 176.600 0.131 0.000 0.996 45 E CA 0.333 56.783 56.400 0.083 0.000 0.832 45 E CB 0.024 29.757 29.700 0.055 0.000 0.756 45 E HN 0.023 nan 8.360 nan 0.000 0.491 46 L N 0.464 121.801 121.223 0.189 0.000 2.044 46 L HA -0.133 4.209 4.340 0.002 0.000 0.205 46 L C 2.308 179.303 176.870 0.208 0.000 1.075 46 L CA 2.244 57.236 54.840 0.253 0.000 0.747 46 L CB -0.727 41.535 42.059 0.339 0.000 0.903 46 L HN 0.194 nan 8.230 nan 0.000 0.435 47 S N -0.993 114.802 115.700 0.158 0.000 2.382 47 S HA -0.233 4.239 4.470 0.002 0.000 0.228 47 S C 2.009 176.646 174.600 0.062 0.000 1.027 47 S CA 1.252 59.519 58.200 0.111 0.000 0.991 47 S CB -0.698 62.554 63.200 0.087 0.000 0.823 47 S HN 0.500 nan 8.310 nan 0.000 0.469 48 K N 0.428 120.865 120.400 0.061 0.000 2.147 48 K HA 0.023 4.345 4.320 0.002 0.000 0.205 48 K C 2.056 178.666 176.600 0.017 0.000 1.049 48 K CA 1.080 57.386 56.287 0.032 0.000 0.936 48 K CB -0.410 32.112 32.500 0.037 0.000 0.722 48 K HN 0.301 nan 8.250 nan 0.000 0.446 49 L N 1.569 122.824 121.223 0.055 0.000 1.988 49 L HA -0.170 4.172 4.340 0.002 0.000 0.207 49 L C 2.431 179.213 176.870 -0.147 0.000 1.071 49 L CA 1.652 56.522 54.840 0.049 0.000 0.744 49 L CB -0.563 41.622 42.059 0.210 0.000 0.893 49 L HN 0.028 nan 8.230 nan 0.000 0.433 50 R N -0.649 119.690 120.500 -0.267 0.000 2.112 50 R HA -0.229 4.113 4.340 0.002 0.000 0.242 50 R C 2.486 178.582 176.300 -0.340 0.000 1.137 50 R CA 2.108 57.828 56.100 -0.634 0.000 0.944 50 R CB -0.311 29.833 30.300 -0.259 0.000 0.857 50 R HN 0.331 nan 8.270 nan 0.000 0.435 51 R N -0.427 119.975 120.500 -0.162 0.000 2.091 51 R HA -0.140 4.201 4.340 0.002 0.000 0.238 51 R C 2.333 178.570 176.300 -0.105 0.000 1.136 51 R CA 1.574 57.606 56.100 -0.112 0.000 0.959 51 R CB -0.368 29.896 30.300 -0.061 0.000 0.856 51 R HN 0.376 nan 8.270 nan 0.000 0.437 52 A N 0.631 123.397 122.820 -0.090 0.000 1.930 52 A HA -0.034 4.287 4.320 0.002 0.000 0.217 52 A C 2.174 179.722 177.584 -0.061 0.000 1.175 52 A CA 1.558 53.562 52.037 -0.056 0.000 0.627 52 A CB -0.318 18.668 19.000 -0.024 0.000 0.815 52 A HN 0.403 nan 8.150 nan 0.000 0.443 53 A N -1.285 121.464 122.820 -0.118 0.000 2.169 53 A HA 0.352 4.674 4.320 0.002 0.000 0.212 53 A C 1.491 179.045 177.584 -0.050 0.000 1.153 53 A CA 1.483 53.472 52.037 -0.079 0.000 0.756 53 A CB 0.023 18.950 19.000 -0.122 0.000 0.813 53 A HN 0.599 nan 8.150 nan 0.000 0.471 54 V N -2.885 116.969 119.914 -0.099 0.000 3.264 54 V HA 0.172 4.294 4.120 0.002 0.000 0.262 54 V C 2.101 178.136 176.094 -0.097 0.000 1.616 54 V CA 0.577 62.834 62.300 -0.071 0.000 1.033 54 V CB -0.054 31.689 31.823 -0.133 0.000 0.865 54 V HN 0.387 nan 8.190 nan 0.000 0.420 55 G N 0.500 109.241 108.800 -0.099 0.000 2.492 55 G HA2 0.027 3.989 3.960 0.002 0.000 0.214 55 G HA3 0.027 3.989 3.960 0.002 0.000 0.214 55 G C 0.857 175.726 174.900 -0.051 0.000 1.147 55 G CA -0.142 44.907 45.100 -0.084 0.000 0.809 55 G HN 0.321 nan 8.290 nan 0.000 0.533 56 R N 1.081 121.557 120.500 -0.040 0.000 2.756 56 R HA 0.147 4.488 4.340 0.002 0.000 0.264 56 R C -2.229 174.064 176.300 -0.012 0.000 1.026 56 R CA -1.054 55.032 56.100 -0.024 0.000 1.121 56 R CB -0.240 30.049 30.300 -0.019 0.000 0.999 56 R HN 0.108 nan 8.270 nan 0.000 0.449 57 P HA -0.004 nan 4.420 nan 0.000 0.268 57 P C -0.517 176.788 177.300 0.009 0.000 1.208 57 P CA 0.172 63.273 63.100 0.002 0.000 0.777 57 P CB 0.418 32.117 31.700 -0.001 0.000 0.875 58 L N 2.029 123.264 121.223 0.020 0.000 2.265 58 L HA 0.367 4.708 4.340 0.002 0.000 0.288 58 L C 0.373 177.260 176.870 0.028 0.000 1.058 58 L CA -0.248 54.610 54.840 0.030 0.000 0.809 58 L CB 0.432 42.517 42.059 0.044 0.000 1.179 58 L HN 0.299 nan 8.230 nan 0.000 0.429 59 D N 3.187 123.604 120.400 0.029 0.000 2.471 59 D HA 0.153 4.794 4.640 0.002 0.000 0.245 59 D C -0.166 176.169 176.300 0.059 0.000 1.116 59 D CA -0.618 53.404 54.000 0.036 0.000 0.853 59 D CB 1.224 42.033 40.800 0.016 0.000 1.123 59 D HN 0.314 nan 8.370 nan 0.000 0.540 60 K N 2.798 123.231 120.400 0.054 0.000 3.245 60 K HA 0.047 4.368 4.320 0.002 0.000 0.285 60 K C -0.303 176.331 176.600 0.056 0.000 1.156 60 K CA -0.097 56.210 56.287 0.033 0.000 1.162 60 K CB -0.334 32.175 32.500 0.016 0.000 1.365 60 K HN 0.401 nan 8.250 nan 0.000 0.316 61 H N -0.190 118.859 119.070 -0.036 0.000 2.489 61 H HA 0.063 4.620 4.556 0.001 0.000 0.343 61 H C 0.842 176.144 175.328 -0.042 0.000 1.086 61 H CA -0.508 55.522 56.048 -0.031 0.000 1.198 61 H CB 1.464 31.214 29.762 -0.019 0.000 1.490 61 H HN 0.229 nan 8.280 nan 0.000 0.504 62 E N 2.772 122.781 120.200 -0.319 0.000 2.219 62 E HA -0.169 4.182 4.350 0.002 0.000 0.198 62 E C 1.736 178.294 176.600 -0.071 0.000 0.998 62 E CA 1.343 57.631 56.400 -0.186 0.000 0.818 62 E CB -0.171 29.416 29.700 -0.188 0.000 0.741 62 E HN 0.978 nan 8.360 nan 0.000 0.477 63 G N 0.877 109.706 108.800 0.049 0.000 2.459 63 G HA2 -0.299 3.662 3.960 0.002 0.000 0.217 63 G HA3 -0.299 3.662 3.960 0.002 0.000 0.217 63 G C 1.670 176.660 174.900 0.150 0.000 1.183 63 G CA 1.063 46.298 45.100 0.225 0.000 0.776 63 G HN 0.417 nan 8.290 nan 0.000 0.552 64 A N 0.108 123.035 122.820 0.179 0.000 1.978 64 A HA 0.050 4.371 4.320 0.002 0.000 0.220 64 A C 2.341 179.947 177.584 0.036 0.000 1.170 64 A CA 1.779 53.866 52.037 0.083 0.000 0.636 64 A CB -0.333 18.714 19.000 0.078 0.000 0.810 64 A HN 0.486 nan 8.150 nan 0.000 0.448 65 L N -0.388 120.832 121.223 -0.004 0.000 2.095 65 L HA -0.036 4.306 4.340 0.002 0.000 0.204 65 L C 2.105 178.942 176.870 -0.055 0.000 1.080 65 L CA 2.056 56.856 54.840 -0.067 0.000 0.759 65 L CB -0.671 41.288 42.059 -0.166 0.000 0.914 65 L HN 0.327 nan 8.230 nan 0.000 0.439 66 E N -0.413 119.765 120.200 -0.036 0.000 2.085 66 E HA -0.211 4.141 4.350 0.002 0.000 0.194 66 E C 2.059 178.686 176.600 0.046 0.000 0.994 66 E CA 1.885 58.280 56.400 -0.008 0.000 0.801 66 E CB -0.566 29.138 29.700 0.006 0.000 0.743 66 E HN 0.539 nan 8.360 nan 0.000 0.453 67 T N 1.779 116.370 114.554 0.061 0.000 2.720 67 T HA -0.151 4.201 4.350 0.002 0.000 0.268 67 T C 1.812 176.590 174.700 0.130 0.000 1.037 67 T CA 0.785 62.941 62.100 0.092 0.000 1.144 67 T CB -0.204 68.705 68.868 0.069 0.000 0.864 67 T HN 0.000 nan 8.240 nan 0.000 0.444 68 L N 0.712 121.997 121.223 0.103 0.000 2.056 68 L HA 0.134 4.475 4.340 0.002 0.000 0.207 68 L C 2.150 179.122 176.870 0.170 0.000 1.078 68 L CA 1.437 56.366 54.840 0.148 0.000 0.749 68 L CB -0.873 41.239 42.059 0.088 0.000 0.901 68 L HN 0.270 nan 8.230 nan 0.000 0.433 69 L N -1.222 120.049 121.223 0.079 0.000 2.017 69 L HA -0.228 4.113 4.340 0.002 0.000 0.208 69 L C 2.719 179.642 176.870 0.089 0.000 1.073 69 L CA 1.267 56.140 54.840 0.055 0.000 0.745 69 L CB -0.487 41.541 42.059 -0.052 0.000 0.894 69 L HN 0.182 nan 8.230 nan 0.000 0.432 70 R N -0.857 119.709 120.500 0.110 0.000 2.096 70 R HA -0.264 4.077 4.340 0.002 0.000 0.240 70 R C 2.372 178.782 176.300 0.184 0.000 1.139 70 R CA 2.173 58.373 56.100 0.165 0.000 0.952 70 R CB -0.583 29.855 30.300 0.230 0.000 0.854 70 R HN 0.295 nan 8.270 nan 0.000 0.436 71 Y N -0.487 119.876 120.300 0.105 0.000 2.207 71 Y HA -0.346 4.205 4.550 0.002 0.000 0.287 71 Y C 2.067 178.000 175.900 0.054 0.000 1.156 71 Y CA 1.904 60.061 58.100 0.095 0.000 1.182 71 Y CB -0.254 38.267 38.460 0.100 0.000 0.979 71 Y HN 0.206 nan 8.280 nan 0.000 0.521 72 Y N 0.965 121.191 120.300 -0.125 0.000 2.200 72 Y HA -0.225 4.326 4.550 0.002 0.000 0.290 72 Y C 2.082 177.796 175.900 -0.311 0.000 1.137 72 Y CA 1.961 59.911 58.100 -0.250 0.000 1.163 72 Y CB -0.551 37.827 38.460 -0.137 0.000 0.988 72 Y HN 0.147 nan 8.280 nan 0.000 0.518 73 D N -0.050 120.170 120.400 -0.301 0.000 2.078 73 D HA -0.212 4.429 4.640 0.002 0.000 0.193 73 D C 2.079 178.071 176.300 -0.514 0.000 0.990 73 D CA 1.683 55.318 54.000 -0.610 0.000 0.827 73 D CB -0.510 39.651 40.800 -1.066 0.000 0.975 73 D HN 0.348 nan 8.370 nan 0.000 0.451 74 Q N 0.468 120.159 119.800 -0.181 0.000 2.061 74 Q HA -0.135 4.206 4.340 0.002 0.000 0.204 74 Q C 2.189 178.091 176.000 -0.163 0.000 0.984 74 Q CA 1.034 56.903 55.803 0.111 0.000 0.846 74 Q CB -0.683 28.197 28.738 0.236 0.000 0.902 74 Q HN 0.331 nan 8.270 nan 0.000 0.421 75 I N -0.465 119.849 120.570 -0.427 0.000 2.151 75 I HA -0.363 3.809 4.170 0.002 0.000 0.243 75 I C 1.998 177.849 176.117 -0.445 0.000 1.080 75 I CA 1.493 62.481 61.300 -0.520 0.000 1.339 75 I CB -0.431 37.088 38.000 -0.802 0.000 1.039 75 I HN 0.358 nan 8.210 nan 0.000 0.409 76 C N -0.192 118.779 119.300 -0.547 0.000 2.413 76 C HA -0.145 4.316 4.460 0.002 0.000 0.276 76 C C 2.902 177.752 174.990 -0.233 0.000 1.248 76 C CA 1.438 60.188 59.018 -0.447 0.000 1.742 76 C CB -1.446 25.950 27.740 -0.572 0.000 2.017 76 C HN 0.553 nan 8.230 nan 0.000 0.481 77 S N 0.064 115.668 115.700 -0.160 0.000 2.555 77 S HA 0.090 4.562 4.470 0.002 0.000 0.230 77 S C 1.475 176.072 174.600 -0.005 0.000 0.978 77 S CA 0.699 58.892 58.200 -0.011 0.000 0.934 77 S CB -0.249 63.052 63.200 0.169 0.000 0.766 77 S HN 0.597 nan 8.310 nan 0.000 0.533 78 I N 0.501 121.033 120.570 -0.063 0.000 3.035 78 I HA 0.003 4.174 4.170 0.002 0.000 0.271 78 I C 2.374 178.605 176.117 0.190 0.000 1.190 78 I CA 0.428 61.726 61.300 -0.003 0.000 1.472 78 I CB -0.054 37.872 38.000 -0.123 0.000 1.116 78 I HN 0.274 nan 8.210 nan 0.000 0.443 79 E N 1.671 121.920 120.200 0.081 0.000 2.114 79 E HA -0.245 4.107 4.350 0.002 0.000 0.199 79 E C -0.821 175.916 176.600 0.228 0.000 1.008 79 E CA 1.815 58.309 56.400 0.157 0.000 0.810 79 E CB -0.479 29.206 29.700 -0.025 0.000 0.739 79 E HN 0.351 nan 8.360 nan 0.000 0.456 80 P HA -0.066 nan 4.420 nan 0.000 0.229 80 P C 0.182 177.494 177.300 0.019 0.000 1.160 80 P CA 1.217 64.355 63.100 0.064 0.000 0.777 80 P CB 0.190 31.913 31.700 0.038 0.000 0.814 81 K N -1.647 118.757 120.400 0.008 0.000 2.372 81 K HA 0.229 4.550 4.320 0.002 0.000 0.200 81 K C -0.295 175.919 176.600 -0.643 0.000 1.022 81 K CA 0.087 56.251 56.287 -0.206 0.000 1.125 81 K CB 0.268 32.664 32.500 -0.173 0.000 0.855 81 K HN 0.151 nan 8.250 nan 0.000 0.524 82 F N 0.191 119.957 119.950 -0.307 0.000 2.601 82 F HA 0.270 4.798 4.527 0.002 0.000 0.309 82 F C -2.369 172.985 175.800 -0.745 0.000 1.089 82 F CA -2.658 54.865 58.000 -0.796 0.000 0.940 82 F CB 1.842 40.165 39.000 -1.128 0.000 1.273 82 F HN -0.246 nan 8.300 nan 0.000 0.450 83 P HA 0.176 nan 4.420 nan 0.000 0.226 83 P C 0.624 177.807 177.300 -0.195 0.000 1.758 83 P CA 0.208 63.151 63.100 -0.262 0.000 0.896 83 P CB -0.621 30.994 31.700 -0.141 0.000 1.784 84 F N -0.306 119.646 119.950 0.004 0.000 2.120 84 F HA -0.254 4.275 4.527 0.002 0.000 0.300 84 F C 2.449 178.264 175.800 0.025 0.000 1.095 84 F CA 1.413 59.425 58.000 0.020 0.000 1.249 84 F CB -1.428 37.592 39.000 0.032 0.000 0.995 84 F HN 0.049 nan 8.300 nan 0.000 0.480 85 S N 0.070 115.890 115.700 0.200 0.000 2.380 85 S HA -0.311 4.160 4.470 0.002 0.000 0.229 85 S C 1.854 176.506 174.600 0.086 0.000 1.050 85 S CA 2.003 60.276 58.200 0.123 0.000 1.100 85 S CB -0.592 62.659 63.200 0.086 0.000 0.984 85 S HN 0.440 nan 8.310 nan 0.000 0.434 86 E N 0.485 120.723 120.200 0.063 0.000 2.160 86 E HA -0.119 4.232 4.350 0.002 0.000 0.195 86 E C 1.180 177.813 176.600 0.054 0.000 0.991 86 E CA 0.802 57.231 56.400 0.048 0.000 0.810 86 E CB -0.125 29.597 29.700 0.038 0.000 0.742 86 E HN 0.565 nan 8.360 nan 0.000 0.466 87 N N -1.156 117.585 118.700 0.069 0.000 2.965 87 N HA -0.289 4.453 4.740 0.002 0.000 0.232 87 N C 0.614 176.156 175.510 0.053 0.000 0.913 87 N CA 1.125 54.220 53.050 0.075 0.000 0.981 87 N CB -0.962 37.567 38.487 0.068 0.000 1.077 87 N HN 0.183 nan 8.380 nan 0.000 0.589 88 Q N -0.341 119.485 119.800 0.045 0.000 2.234 88 Q HA -0.085 4.257 4.340 0.002 0.000 0.206 88 Q C 0.689 176.716 176.000 0.045 0.000 0.980 88 Q CA 1.227 57.056 55.803 0.042 0.000 0.869 88 Q CB -0.048 28.717 28.738 0.044 0.000 0.912 88 Q HN 0.643 nan 8.270 nan 0.000 0.436 89 I N 0.380 120.975 120.570 0.041 0.000 2.357 89 I HA 0.029 4.200 4.170 0.002 0.000 0.300 89 I C -1.105 175.041 176.117 0.048 0.000 1.159 89 I CA -0.498 60.818 61.300 0.028 0.000 1.339 89 I CB 0.064 38.026 38.000 -0.064 0.000 1.458 89 I HN -0.021 nan 8.210 nan 0.000 0.577 90 C N 8.145 127.465 119.300 0.032 0.000 2.239 90 C HA 0.610 5.071 4.460 0.002 0.000 0.323 90 C C -0.503 174.471 174.990 -0.028 0.000 1.205 90 C CA -0.687 58.340 59.018 0.015 0.000 1.584 90 C CB -0.197 27.546 27.740 0.004 0.000 2.201 90 C HN 0.731 nan 8.230 nan 0.000 0.475 91 L N 6.218 127.403 121.223 -0.064 0.000 2.356 91 L HA 0.663 5.004 4.340 0.002 0.000 0.277 91 L C 0.180 176.807 176.870 -0.404 0.000 0.996 91 L CA 0.321 55.031 54.840 -0.216 0.000 0.822 91 L CB 2.006 43.934 42.059 -0.219 0.000 1.256 91 L HN 0.703 nan 8.230 nan 0.000 0.413 92 T N 2.431 116.745 114.554 -0.400 0.000 2.795 92 T HA 0.583 4.934 4.350 0.002 0.000 0.282 92 T C -0.374 174.071 174.700 -0.424 0.000 0.980 92 T CA -0.205 61.695 62.100 -0.332 0.000 1.012 92 T CB 0.448 69.228 68.868 -0.146 0.000 0.936 92 T HN 0.276 nan 8.240 nan 0.000 0.457 93 F N 1.541 121.556 119.950 0.108 0.000 2.411 93 F HA 0.443 4.971 4.527 0.002 0.000 0.352 93 F C 0.769 176.708 175.800 0.231 0.000 1.123 93 F CA -0.879 57.248 58.000 0.210 0.000 1.044 93 F CB 1.641 40.907 39.000 0.444 0.000 1.135 93 F HN 0.472 nan 8.300 nan 0.000 0.461 94 T N 2.496 117.196 114.554 0.243 0.000 2.788 94 T HA 0.322 4.673 4.350 0.002 0.000 0.296 94 T C -1.036 173.693 174.700 0.049 0.000 1.009 94 T CA -0.609 61.585 62.100 0.156 0.000 0.949 94 T CB 0.192 69.070 68.868 0.018 0.000 0.946 94 T HN 0.380 nan 8.240 nan 0.000 0.453 95 W N 1.836 123.297 121.300 0.269 0.000 2.719 95 W HA 0.660 5.321 4.660 0.002 0.000 0.352 95 W C 0.206 176.776 176.519 0.085 0.000 1.085 95 W CA -1.031 56.400 57.345 0.143 0.000 1.187 95 W CB 1.426 30.920 29.460 0.056 0.000 1.417 95 W HN 0.329 nan 8.180 nan 0.000 0.557 96 K N 0.646 121.202 120.400 0.260 0.000 2.166 96 K HA 0.260 4.581 4.320 0.002 0.000 0.245 96 K C -0.954 175.675 176.600 0.049 0.000 0.967 96 K CA -0.952 55.410 56.287 0.124 0.000 0.863 96 K CB 1.243 33.783 32.500 0.067 0.000 1.107 96 K HN 0.355 nan 8.250 nan 0.000 0.436 97 D N 0.772 121.165 120.400 -0.012 0.000 2.458 97 D HA 0.059 4.700 4.640 0.002 0.000 0.243 97 D C 0.747 176.938 176.300 -0.183 0.000 1.146 97 D CA 0.254 54.180 54.000 -0.124 0.000 0.877 97 D CB 1.139 41.901 40.800 -0.063 0.000 1.176 97 D HN 0.548 nan 8.370 nan 0.000 0.461 98 A N 3.454 126.013 122.820 -0.434 0.000 1.972 98 A HA -0.131 4.190 4.320 0.002 0.000 0.219 98 A C 1.520 178.935 177.584 -0.282 0.000 1.169 98 A CA 1.030 52.799 52.037 -0.447 0.000 0.635 98 A CB -0.504 18.056 19.000 -0.734 0.000 0.810 98 A HN 0.719 nan 8.150 nan 0.000 0.446 99 F N -1.198 118.776 119.950 0.040 0.000 2.695 99 F HA 0.178 4.706 4.527 0.002 0.000 0.303 99 F C 0.156 175.972 175.800 0.027 0.000 1.091 99 F CA -0.151 57.875 58.000 0.043 0.000 1.300 99 F CB 0.358 39.378 39.000 0.033 0.000 1.071 99 F HN 0.063 nan 8.300 nan 0.000 0.578 100 D N 1.412 121.891 120.400 0.130 0.000 2.772 100 D HA -0.164 4.478 4.640 0.002 0.000 0.233 100 D C -0.203 176.149 176.300 0.087 0.000 1.143 100 D CA 0.695 54.748 54.000 0.089 0.000 0.700 100 D CB -0.687 40.165 40.800 0.086 0.000 1.076 100 D HN 0.154 nan 8.370 nan 0.000 0.430 101 K N 0.136 120.598 120.400 0.103 0.000 2.156 101 K HA 0.725 5.047 4.320 0.002 0.000 0.271 101 K C 0.700 177.307 176.600 0.011 0.000 0.995 101 K CA -0.396 55.930 56.287 0.065 0.000 0.890 101 K CB 2.018 34.590 32.500 0.120 0.000 1.073 101 K HN 0.187 nan 8.250 nan 0.000 0.454 102 G N 0.098 108.874 108.800 -0.041 0.000 2.706 102 G HA2 0.226 4.187 3.960 0.002 0.000 0.297 102 G HA3 0.226 4.187 3.960 0.002 0.000 0.297 102 G C 0.283 175.097 174.900 -0.144 0.000 1.403 102 G CA -0.506 44.553 45.100 -0.068 0.000 0.954 102 G HN 0.410 nan 8.290 nan 0.000 0.500 103 S N 0.081 115.707 115.700 -0.123 0.000 2.423 103 S HA 0.019 4.491 4.470 0.002 0.000 0.231 103 S C 1.020 175.475 174.600 -0.243 0.000 1.014 103 S CA 0.453 58.556 58.200 -0.162 0.000 0.965 103 S CB -0.168 62.979 63.200 -0.088 0.000 0.785 103 S HN 0.434 nan 8.310 nan 0.000 0.495 104 L N 0.976 122.094 121.223 -0.175 0.000 2.334 104 L HA 0.468 4.809 4.340 0.002 0.000 0.275 104 L C -1.118 175.656 176.870 -0.161 0.000 1.036 104 L CA -0.834 53.928 54.840 -0.130 0.000 0.807 104 L CB 0.941 43.003 42.059 0.004 0.000 1.231 104 L HN 0.053 nan 8.230 nan 0.000 0.438 105 F N 2.853 122.809 119.950 0.010 0.000 2.502 105 F HA 0.511 5.040 4.527 0.002 0.000 0.371 105 F C 1.008 176.816 175.800 0.014 0.000 1.083 105 F CA 0.692 58.699 58.000 0.012 0.000 1.174 105 F CB 0.491 39.496 39.000 0.009 0.000 1.096 105 F HN 0.496 nan 8.300 nan 0.000 0.545 106 G N 1.392 110.274 108.800 0.137 0.000 2.570 106 G HA2 0.446 4.408 3.960 0.002 0.000 0.310 106 G HA3 0.446 4.408 3.960 0.002 0.000 0.310 106 G C 0.266 175.209 174.900 0.072 0.000 1.266 106 G CA -0.135 45.022 45.100 0.094 0.000 0.825 106 G HN 0.689 nan 8.290 nan 0.000 0.483 107 G N -0.811 108.023 108.800 0.056 0.000 2.692 107 G HA2 0.429 4.390 3.960 0.002 0.000 0.209 107 G HA3 0.429 4.390 3.960 0.002 0.000 0.209 107 G C 0.627 175.555 174.900 0.046 0.000 1.166 107 G CA 1.468 46.599 45.100 0.052 0.000 0.844 107 G HN 1.419 nan 8.290 nan 0.000 0.596 108 S N -1.148 114.575 115.700 0.039 0.000 2.536 108 S HA 0.626 5.097 4.470 0.002 0.000 0.287 108 S C -1.637 172.981 174.600 0.029 0.000 1.101 108 S CA -0.537 57.684 58.200 0.036 0.000 0.950 108 S CB 2.068 65.289 63.200 0.036 0.000 1.056 108 S HN 0.251 nan 8.310 nan 0.000 0.481 109 V N 4.783 124.714 119.914 0.027 0.000 2.540 109 V HA 0.633 4.755 4.120 0.002 0.000 0.302 109 V C -0.796 175.320 176.094 0.037 0.000 1.035 109 V CA -0.528 61.788 62.300 0.025 0.000 0.873 109 V CB 1.820 33.652 31.823 0.016 0.000 0.992 109 V HN 1.000 nan 8.190 nan 0.000 0.428 110 K N 4.839 125.264 120.400 0.042 0.000 2.306 110 K HA 0.849 5.170 4.320 0.002 0.000 0.236 110 K C -1.660 174.981 176.600 0.068 0.000 1.013 110 K CA -1.020 55.306 56.287 0.065 0.000 0.857 110 K CB 2.402 34.932 32.500 0.049 0.000 1.214 110 K HN 0.375 nan 8.250 nan 0.000 0.449 111 L N 0.459 121.746 121.223 0.107 0.000 2.710 111 L HA 0.460 4.801 4.340 0.002 0.000 0.262 111 L C -1.938 174.949 176.870 0.029 0.000 0.940 111 L CA -0.142 54.729 54.840 0.051 0.000 0.944 111 L CB 1.778 43.875 42.059 0.062 0.000 1.348 111 L HN 0.787 nan 8.230 nan 0.000 0.425 112 A N 4.904 127.696 122.820 -0.046 0.000 2.276 112 A HA 0.853 5.174 4.320 0.002 0.000 0.316 112 A C -1.430 176.051 177.584 -0.172 0.000 1.229 112 A CA -0.332 51.675 52.037 -0.050 0.000 0.851 112 A CB 0.825 19.816 19.000 -0.016 0.000 1.165 112 A HN 0.592 nan 8.150 nan 0.000 0.513 113 L N 1.686 122.767 121.223 -0.237 0.000 2.422 113 L HA 0.630 4.971 4.340 0.002 0.000 0.264 113 L C 0.682 177.577 176.870 0.041 0.000 0.984 113 L CA 0.021 54.741 54.840 -0.199 0.000 0.819 113 L CB 2.070 43.861 42.059 -0.446 0.000 1.330 113 L HN 0.769 nan 8.230 nan 0.000 0.410 114 A N 1.612 124.452 122.820 0.033 0.000 2.840 114 A HA 0.422 4.743 4.320 0.002 0.000 0.269 114 A C 0.380 178.075 177.584 0.184 0.000 1.439 114 A CA 0.173 52.254 52.037 0.073 0.000 1.083 114 A CB -0.528 18.476 19.000 0.005 0.000 1.019 114 A HN 0.491 nan 8.150 nan 0.000 0.607 115 S N -0.116 115.738 115.700 0.256 0.000 2.530 115 S HA 0.385 4.856 4.470 0.002 0.000 0.322 115 S C 0.678 175.393 174.600 0.192 0.000 1.085 115 S CA -0.634 57.681 58.200 0.192 0.000 1.096 115 S CB 0.687 63.960 63.200 0.122 0.000 0.988 115 S HN 0.343 nan 8.310 nan 0.000 0.466 116 L N 6.032 127.254 121.223 -0.001 0.000 2.187 116 L HA 0.153 4.494 4.340 0.002 0.000 0.213 116 L C 2.272 179.001 176.870 -0.235 0.000 1.100 116 L CA 2.423 57.099 54.840 -0.272 0.000 0.765 116 L CB -1.066 40.582 42.059 -0.686 0.000 0.904 116 L HN 0.925 nan 8.230 nan 0.000 0.437 117 G N -1.778 106.957 108.800 -0.109 0.000 2.442 117 G HA2 -0.385 3.576 3.960 0.002 0.000 0.219 117 G HA3 -0.385 3.576 3.960 0.002 0.000 0.219 117 G C 1.577 176.448 174.900 -0.048 0.000 1.141 117 G CA 1.015 46.073 45.100 -0.071 0.000 0.763 117 G HN 0.517 nan 8.290 nan 0.000 0.554 118 Y N 1.392 121.622 120.300 -0.117 0.000 2.163 118 Y HA -0.074 4.477 4.550 0.002 0.000 0.288 118 Y C 2.774 178.525 175.900 -0.248 0.000 1.136 118 Y CA 2.039 60.065 58.100 -0.124 0.000 1.147 118 Y CB -0.261 38.194 38.460 -0.008 0.000 0.987 118 Y HN 0.308 nan 8.280 nan 0.000 0.509 119 E N 0.771 120.831 120.200 -0.235 0.000 2.070 119 E HA -0.254 4.098 4.350 0.002 0.000 0.197 119 E C 2.155 178.508 176.600 -0.412 0.000 1.004 119 E CA 2.123 58.245 56.400 -0.464 0.000 0.805 119 E CB -0.260 28.828 29.700 -1.020 0.000 0.744 119 E HN 0.423 nan 8.360 nan 0.000 0.451 120 K N -0.347 119.859 120.400 -0.325 0.000 2.063 120 K HA -0.097 4.225 4.320 0.002 0.000 0.208 120 K C 2.393 178.948 176.600 -0.076 0.000 1.048 120 K CA 1.457 57.640 56.287 -0.174 0.000 0.928 120 K CB -0.156 32.249 32.500 -0.157 0.000 0.713 120 K HN 0.083 nan 8.250 nan 0.000 0.442 121 S N 0.518 116.096 115.700 -0.204 0.000 2.368 121 S HA -0.152 4.319 4.470 0.002 0.000 0.225 121 S C 2.191 176.581 174.600 -0.349 0.000 1.030 121 S CA 1.169 59.245 58.200 -0.208 0.000 0.999 121 S CB -0.295 62.770 63.200 -0.225 0.000 0.844 121 S HN 0.391 nan 8.310 nan 0.000 0.459 122 C N 1.053 119.918 119.300 -0.725 0.000 2.446 122 C HA 0.019 4.481 4.460 0.002 0.000 0.277 122 C C 2.656 177.212 174.990 -0.723 0.000 1.275 122 C CA 0.236 58.602 59.018 -1.088 0.000 1.727 122 C CB -1.312 24.975 27.740 -2.421 0.000 2.010 122 C HN 0.398 nan 8.230 nan 0.000 0.486 123 V N 0.778 120.427 119.914 -0.442 0.000 2.343 123 V HA -0.197 3.925 4.120 0.002 0.000 0.247 123 V C 2.378 178.452 176.094 -0.034 0.000 1.051 123 V CA 1.920 64.201 62.300 -0.031 0.000 1.036 123 V CB -0.727 31.225 31.823 0.215 0.000 0.654 123 V HN 0.488 nan 8.190 nan 0.000 0.451 124 L N -0.498 120.650 121.223 -0.126 0.000 2.046 124 L HA -0.147 4.194 4.340 0.002 0.000 0.208 124 L C 2.167 178.902 176.870 -0.224 0.000 1.077 124 L CA 1.927 56.559 54.840 -0.346 0.000 0.747 124 L CB -0.784 40.986 42.059 -0.481 0.000 0.896 124 L HN 0.334 nan 8.230 nan 0.000 0.432 125 F N 0.465 120.262 119.950 -0.255 0.000 2.065 125 F HA -0.337 4.191 4.527 0.002 0.000 0.298 125 F C 2.250 177.982 175.800 -0.114 0.000 1.112 125 F CA 2.139 60.053 58.000 -0.143 0.000 1.212 125 F CB -0.335 38.591 39.000 -0.125 0.000 0.975 125 F HN 0.239 nan 8.300 nan 0.000 0.476 126 N N -0.073 118.742 118.700 0.192 0.000 2.149 126 N HA -0.200 4.542 4.740 0.002 0.000 0.188 126 N C 1.911 177.427 175.510 0.010 0.000 1.019 126 N CA 1.628 54.763 53.050 0.140 0.000 0.857 126 N CB -1.008 37.590 38.487 0.185 0.000 0.997 126 N HN 0.354 nan 8.380 nan 0.000 0.426 127 C N 0.240 119.518 119.300 -0.037 0.000 2.432 127 C HA -0.005 4.456 4.460 0.002 0.000 0.277 127 C C 2.798 177.767 174.990 -0.035 0.000 1.249 127 C CA 0.711 59.720 59.018 -0.015 0.000 1.725 127 C CB -1.298 26.449 27.740 0.011 0.000 2.028 127 C HN 0.507 nan 8.230 nan 0.000 0.477 128 A N 0.472 123.091 122.820 -0.336 0.000 1.873 128 A HA 0.092 4.413 4.320 0.002 0.000 0.215 128 A C 2.365 179.691 177.584 -0.431 0.000 1.186 128 A CA 2.070 53.692 52.037 -0.692 0.000 0.616 128 A CB -0.956 16.964 19.000 -1.800 0.000 0.823 128 A HN 0.567 nan 8.150 nan 0.000 0.442 129 A N -0.686 121.949 122.820 -0.308 0.000 1.898 129 A HA -0.001 4.320 4.320 0.002 0.000 0.216 129 A C 2.139 179.712 177.584 -0.018 0.000 1.181 129 A CA 1.696 53.696 52.037 -0.061 0.000 0.620 129 A CB -0.596 18.412 19.000 0.013 0.000 0.819 129 A HN 0.601 nan 8.150 nan 0.000 0.442 130 L N -0.193 121.004 121.223 -0.043 0.000 2.027 130 L HA -0.040 4.301 4.340 0.002 0.000 0.206 130 L C 2.726 179.512 176.870 -0.141 0.000 1.074 130 L CA 2.126 56.932 54.840 -0.056 0.000 0.745 130 L CB -0.811 41.217 42.059 -0.052 0.000 0.898 130 L HN 0.347 nan 8.230 nan 0.000 0.433 131 A N -0.868 121.838 122.820 -0.191 0.000 1.948 131 A HA -0.278 4.043 4.320 0.002 0.000 0.220 131 A C 2.502 179.956 177.584 -0.216 0.000 1.177 131 A CA 2.376 54.214 52.037 -0.331 0.000 0.636 131 A CB -1.190 17.739 19.000 -0.118 0.000 0.815 131 A HN 0.681 nan 8.150 nan 0.000 0.449 132 S N -0.733 114.929 115.700 -0.064 0.000 2.402 132 S HA -0.206 4.265 4.470 0.002 0.000 0.229 132 S C 1.928 176.547 174.600 0.032 0.000 1.021 132 S CA 1.303 59.537 58.200 0.056 0.000 0.974 132 S CB -0.480 62.843 63.200 0.206 0.000 0.800 132 S HN 0.698 nan 8.310 nan 0.000 0.484 133 Q N 0.613 120.417 119.800 0.006 0.000 2.123 133 Q HA 0.134 4.476 4.340 0.002 0.000 0.199 133 Q C 2.229 178.203 176.000 -0.043 0.000 0.966 133 Q CA 1.403 57.217 55.803 0.017 0.000 0.845 133 Q CB -0.374 28.382 28.738 0.030 0.000 0.907 133 Q HN 0.602 nan 8.270 nan 0.000 0.439 134 I N 0.724 121.223 120.570 -0.118 0.000 2.286 134 I HA -0.270 3.901 4.170 0.002 0.000 0.248 134 I C 2.408 178.454 176.117 -0.118 0.000 1.115 134 I CA 0.912 62.136 61.300 -0.126 0.000 1.392 134 I CB -0.358 37.503 38.000 -0.232 0.000 1.065 134 I HN 0.155 nan 8.210 nan 0.000 0.418 135 A N 0.805 123.491 122.820 -0.223 0.000 1.877 135 A HA -0.148 4.173 4.320 0.002 0.000 0.216 135 A C 2.521 179.884 177.584 -0.369 0.000 1.186 135 A CA 1.757 53.515 52.037 -0.465 0.000 0.620 135 A CB -0.870 17.410 19.000 -1.199 0.000 0.822 135 A HN 0.416 nan 8.150 nan 0.000 0.443 136 A N -0.694 122.033 122.820 -0.156 0.000 2.125 136 A HA -0.132 4.190 4.320 0.002 0.000 0.219 136 A C 1.825 179.398 177.584 -0.018 0.000 1.156 136 A CA 1.552 53.596 52.037 0.011 0.000 0.671 136 A CB -0.386 18.730 19.000 0.193 0.000 0.794 136 A HN 0.650 nan 8.150 nan 0.000 0.459 137 E N -0.469 119.704 120.200 -0.046 0.000 2.447 137 E HA -0.004 4.347 4.350 0.002 0.000 0.195 137 E C 0.047 176.618 176.600 -0.049 0.000 1.028 137 E CA -0.256 56.131 56.400 -0.021 0.000 0.876 137 E CB 0.113 29.804 29.700 -0.015 0.000 0.885 137 E HN 0.540 nan 8.360 nan 0.000 0.500 138 Q N 1.123 120.862 119.800 -0.102 0.000 2.432 138 Q HA 0.001 4.342 4.340 0.002 0.000 0.264 138 Q C 0.026 175.979 176.000 -0.079 0.000 1.035 138 Q CA 0.159 55.899 55.803 -0.105 0.000 0.908 138 Q CB 0.254 28.898 28.738 -0.157 0.000 1.280 138 Q HN 0.018 nan 8.270 nan 0.000 0.455 139 N N 1.767 120.430 118.700 -0.061 0.000 2.415 139 N HA 0.065 4.807 4.740 0.002 0.000 0.246 139 N C 0.084 175.565 175.510 -0.049 0.000 1.078 139 N CA 0.094 53.121 53.050 -0.039 0.000 0.942 139 N CB 0.196 38.665 38.487 -0.030 0.000 1.140 139 N HN 0.511 nan 8.380 nan 0.000 0.501 140 L N 1.308 122.511 121.223 -0.033 0.000 2.591 140 L HA 0.148 4.489 4.340 0.002 0.000 0.228 140 L C 0.851 177.704 176.870 -0.029 0.000 1.133 140 L CA 0.184 55.003 54.840 -0.036 0.000 0.880 140 L CB -0.100 41.960 42.059 0.002 0.000 1.033 140 L HN 0.487 nan 8.230 nan 0.000 0.450 141 D N 0.790 121.177 120.400 -0.021 0.000 2.325 141 D HA -0.002 4.640 4.640 0.002 0.000 0.234 141 D C 0.062 176.341 176.300 -0.034 0.000 1.122 141 D CA 0.100 54.086 54.000 -0.024 0.000 0.850 141 D CB 0.005 40.798 40.800 -0.012 0.000 0.921 141 D HN 0.255 nan 8.370 nan 0.000 0.513 142 N N -0.770 117.902 118.700 -0.046 0.000 2.287 142 N HA 0.130 4.871 4.740 0.002 0.000 0.289 142 N C 0.164 175.634 175.510 -0.067 0.000 1.066 142 N CA -0.518 52.502 53.050 -0.050 0.000 0.841 142 N CB 1.671 40.131 38.487 -0.045 0.000 1.599 142 N HN -0.382 nan 8.380 nan 0.000 0.476 143 D N 1.160 121.522 120.400 -0.064 0.000 2.123 143 D HA -0.161 4.481 4.640 0.002 0.000 0.196 143 D C 1.149 177.395 176.300 -0.091 0.000 0.992 143 D CA 1.251 55.206 54.000 -0.076 0.000 0.833 143 D CB 0.211 40.974 40.800 -0.062 0.000 0.954 143 D HN 0.748 nan 8.370 nan 0.000 0.455 144 E N 0.148 120.299 120.200 -0.082 0.000 2.072 144 E HA -0.067 4.285 4.350 0.002 0.000 0.191 144 E C 2.152 178.683 176.600 -0.115 0.000 0.985 144 E CA 1.558 57.902 56.400 -0.093 0.000 0.801 144 E CB -0.719 28.935 29.700 -0.077 0.000 0.750 144 E HN 0.223 nan 8.360 nan 0.000 0.452 145 G N 0.674 109.411 108.800 -0.104 0.000 2.440 145 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 145 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 145 G C 1.584 176.395 174.900 -0.148 0.000 1.154 145 G CA 1.081 46.111 45.100 -0.117 0.000 0.767 145 G HN 0.300 nan 8.290 nan 0.000 0.552 146 L N -0.080 121.056 121.223 -0.146 0.000 2.056 146 L HA -0.002 4.339 4.340 0.002 0.000 0.207 146 L C 2.792 179.524 176.870 -0.230 0.000 1.078 146 L CA 1.535 56.265 54.840 -0.183 0.000 0.749 146 L CB -0.327 41.623 42.059 -0.183 0.000 0.901 146 L HN 0.188 nan 8.230 nan 0.000 0.433 147 K N 0.769 121.047 120.400 -0.202 0.000 2.009 147 K HA -0.188 4.133 4.320 0.002 0.000 0.210 147 K C 2.123 178.587 176.600 -0.227 0.000 1.049 147 K CA 1.561 57.730 56.287 -0.197 0.000 0.929 147 K CB -0.124 32.287 32.500 -0.147 0.000 0.714 147 K HN 0.184 nan 8.250 nan 0.000 0.440 148 I N 0.803 121.226 120.570 -0.245 0.000 2.208 148 I HA -0.280 3.892 4.170 0.002 0.000 0.245 148 I C 2.490 178.375 176.117 -0.386 0.000 1.097 148 I CA 1.235 62.324 61.300 -0.352 0.000 1.363 148 I CB -0.414 37.424 38.000 -0.270 0.000 1.051 148 I HN 0.294 nan 8.210 nan 0.000 0.413 149 A N 0.804 123.454 122.820 -0.285 0.000 1.873 149 A HA -0.143 4.179 4.320 0.002 0.000 0.215 149 A C 2.582 180.039 177.584 -0.212 0.000 1.186 149 A CA 1.792 53.633 52.037 -0.327 0.000 0.616 149 A CB -0.880 17.964 19.000 -0.260 0.000 0.823 149 A HN 0.420 nan 8.150 nan 0.000 0.442 150 A N -0.073 122.677 122.820 -0.118 0.000 1.873 150 A HA -0.245 4.077 4.320 0.002 0.000 0.218 150 A C 2.174 179.789 177.584 0.051 0.000 1.193 150 A CA 2.255 54.300 52.037 0.014 0.000 0.629 150 A CB -0.577 18.323 19.000 -0.167 0.000 0.826 150 A HN 0.564 nan 8.150 nan 0.000 0.447 151 K N -1.597 118.753 120.400 -0.084 0.000 2.026 151 K HA -0.238 4.083 4.320 0.002 0.000 0.208 151 K C 2.058 178.658 176.600 -0.000 0.000 1.048 151 K CA 1.697 57.937 56.287 -0.078 0.000 0.929 151 K CB -0.316 32.049 32.500 -0.225 0.000 0.713 151 K HN 0.606 nan 8.250 nan 0.000 0.439 152 H N -0.787 118.233 119.070 -0.084 0.000 2.353 152 H HA -0.122 4.435 4.556 0.002 0.000 0.300 152 H C 2.002 177.329 175.328 -0.002 0.000 1.090 152 H CA 1.433 57.426 56.048 -0.092 0.000 1.327 152 H CB -0.461 29.150 29.762 -0.251 0.000 1.383 152 H HN 0.286 nan 8.280 nan 0.000 0.508 153 Y N 1.356 121.748 120.300 0.153 0.000 2.242 153 Y HA -0.149 4.403 4.550 0.002 0.000 0.291 153 Y C 2.716 178.657 175.900 0.069 0.000 1.137 153 Y CA 0.923 59.083 58.100 0.100 0.000 1.181 153 Y CB -0.387 38.125 38.460 0.087 0.000 0.989 153 Y HN 0.243 nan 8.280 nan 0.000 0.527 154 Q N -1.364 118.580 119.800 0.239 0.000 2.079 154 Q HA -0.179 4.163 4.340 0.002 0.000 0.200 154 Q C 2.122 178.174 176.000 0.086 0.000 0.974 154 Q CA 1.530 57.413 55.803 0.133 0.000 0.840 154 Q CB -0.483 28.333 28.738 0.129 0.000 0.898 154 Q HN 0.482 nan 8.270 nan 0.000 0.430 155 F N 1.347 121.296 119.950 -0.002 0.000 2.069 155 F HA -0.258 4.271 4.527 0.002 0.000 0.298 155 F C 2.152 177.863 175.800 -0.148 0.000 1.113 155 F CA 1.582 59.541 58.000 -0.068 0.000 1.214 155 F CB -0.543 38.427 39.000 -0.050 0.000 0.978 155 F HN 0.014 nan 8.300 nan 0.000 0.474 156 A N -0.594 122.132 122.820 -0.157 0.000 1.892 156 A HA -0.268 4.053 4.320 0.002 0.000 0.218 156 A C 2.386 179.729 177.584 -0.402 0.000 1.188 156 A CA 2.284 54.062 52.037 -0.432 0.000 0.631 156 A CB -1.629 17.302 19.000 -0.115 0.000 0.822 156 A HN 0.525 nan 8.150 nan 0.000 0.447 157 S N -0.739 114.897 115.700 -0.107 0.000 2.359 157 S HA -0.073 4.398 4.470 0.002 0.000 0.224 157 S C 2.046 176.572 174.600 -0.122 0.000 1.035 157 S CA 1.957 60.138 58.200 -0.032 0.000 1.018 157 S CB -0.754 62.428 63.200 -0.030 0.000 0.876 157 S HN 0.736 nan 8.310 nan 0.000 0.448 158 G N 0.454 109.121 108.800 -0.222 0.000 2.408 158 G HA2 0.054 4.016 3.960 0.002 0.000 0.217 158 G HA3 0.054 4.016 3.960 0.002 0.000 0.217 158 G C 1.676 176.384 174.900 -0.320 0.000 1.150 158 G CA 0.903 45.867 45.100 -0.227 0.000 0.776 158 G HN 0.698 nan 8.290 nan 0.000 0.542 159 A N 0.646 123.085 122.820 -0.636 0.000 1.877 159 A HA 0.129 4.451 4.320 0.002 0.000 0.216 159 A C 2.144 179.514 177.584 -0.357 0.000 1.186 159 A CA 1.392 53.016 52.037 -0.687 0.000 0.620 159 A CB -0.586 17.729 19.000 -1.142 0.000 0.822 159 A HN 0.229 nan 8.150 nan 0.000 0.443 160 F N -0.501 119.285 119.950 -0.272 0.000 2.095 160 F HA -0.163 4.365 4.527 0.002 0.000 0.298 160 F C 2.100 177.841 175.800 -0.098 0.000 1.104 160 F CA 1.365 59.264 58.000 -0.168 0.000 1.232 160 F CB -0.992 37.911 39.000 -0.162 0.000 0.987 160 F HN 0.253 nan 8.300 nan 0.000 0.475 161 L N -0.757 120.519 121.223 0.089 0.000 2.141 161 L HA -0.201 4.141 4.340 0.002 0.000 0.209 161 L C 2.589 179.473 176.870 0.023 0.000 1.094 161 L CA 1.810 56.672 54.840 0.036 0.000 0.763 161 L CB -0.955 41.104 42.059 -0.001 0.000 0.908 161 L HN 0.235 nan 8.230 nan 0.000 0.437 162 H N -0.111 118.911 119.070 -0.080 0.000 2.321 162 H HA -0.149 4.409 4.556 0.002 0.000 0.300 162 H C 2.271 177.568 175.328 -0.050 0.000 1.087 162 H CA 2.396 58.395 56.048 -0.081 0.000 1.319 162 H CB 0.047 29.729 29.762 -0.134 0.000 1.379 162 H HN 0.412 nan 8.280 nan 0.000 0.501 163 I N 1.049 121.657 120.570 0.063 0.000 2.194 163 I HA -0.331 3.840 4.170 0.002 0.000 0.246 163 I C 2.803 178.911 176.117 -0.014 0.000 1.093 163 I CA 1.779 63.101 61.300 0.036 0.000 1.355 163 I CB -0.335 37.736 38.000 0.118 0.000 1.046 163 I HN 0.259 nan 8.210 nan 0.000 0.413 164 K N 1.438 121.839 120.400 0.000 0.000 2.057 164 K HA -0.225 4.096 4.320 0.002 0.000 0.207 164 K C 1.859 178.421 176.600 -0.063 0.000 1.049 164 K CA 1.812 58.088 56.287 -0.018 0.000 0.931 164 K CB -0.069 32.426 32.500 -0.008 0.000 0.714 164 K HN 0.319 nan 8.250 nan 0.000 0.440 165 E N -0.625 119.506 120.200 -0.115 0.000 2.285 165 E HA -0.080 4.272 4.350 0.002 0.000 0.194 165 E C 1.603 178.104 176.600 -0.164 0.000 0.997 165 E CA 1.504 57.821 56.400 -0.139 0.000 0.845 165 E CB 0.346 29.947 29.700 -0.165 0.000 0.782 165 E HN 0.622 nan 8.360 nan 0.000 0.491 166 T N -2.551 111.877 114.554 -0.209 0.000 3.018 166 T HA 0.054 4.405 4.350 0.002 0.000 0.246 166 T C 1.934 176.582 174.700 -0.087 0.000 1.026 166 T CA 0.241 62.238 62.100 -0.172 0.000 1.081 166 T CB -0.255 68.469 68.868 -0.241 0.000 0.970 166 T HN 0.016 nan 8.240 nan 0.000 0.475 167 V N 2.008 121.880 119.914 -0.070 0.000 2.313 167 V HA -0.192 3.929 4.120 0.002 0.000 0.253 167 V C 2.355 178.437 176.094 -0.019 0.000 1.070 167 V CA 2.070 64.347 62.300 -0.038 0.000 1.057 167 V CB -0.683 31.124 31.823 -0.027 0.000 0.653 167 V HN 0.607 nan 8.190 nan 0.000 0.450 168 L N -0.778 120.433 121.223 -0.021 0.000 2.131 168 L HA -0.053 4.289 4.340 0.002 0.000 0.206 168 L C 2.616 179.483 176.870 -0.006 0.000 1.087 168 L CA 1.546 56.381 54.840 -0.009 0.000 0.767 168 L CB -0.617 41.435 42.059 -0.012 0.000 0.917 168 L HN 0.295 nan 8.230 nan 0.000 0.441 169 S N 0.376 116.066 115.700 -0.016 0.000 2.383 169 S HA -0.121 4.350 4.470 0.002 0.000 0.227 169 S C 2.133 176.730 174.600 -0.004 0.000 1.026 169 S CA 1.171 59.364 58.200 -0.012 0.000 0.981 169 S CB -0.203 62.984 63.200 -0.021 0.000 0.818 169 S HN 0.473 nan 8.310 nan 0.000 0.472 170 A N -0.024 122.792 122.820 -0.008 0.000 2.121 170 A HA 0.210 4.532 4.320 0.002 0.000 0.218 170 A C 0.536 178.136 177.584 0.028 0.000 1.154 170 A CA 0.783 52.820 52.037 0.001 0.000 0.679 170 A CB -0.103 18.890 19.000 -0.013 0.000 0.795 170 A HN 0.344 nan 8.150 nan 0.000 0.458 171 L N -0.662 120.580 121.223 0.032 0.000 2.362 171 L HA 0.329 4.671 4.340 0.002 0.000 0.275 171 L C 1.542 178.428 176.870 0.026 0.000 0.998 171 L CA 0.522 55.390 54.840 0.048 0.000 0.820 171 L CB 1.888 43.989 42.059 0.070 0.000 1.270 171 L HN 0.273 nan 8.230 nan 0.000 0.415 172 S N 3.239 118.950 115.700 0.020 0.000 2.335 172 S HA -0.031 4.440 4.470 0.002 0.000 0.216 172 S C 1.147 175.751 174.600 0.005 0.000 1.032 172 S CA 0.544 58.750 58.200 0.010 0.000 1.000 172 S CB -0.087 63.117 63.200 0.006 0.000 0.928 172 S HN 0.598 nan 8.310 nan 0.000 0.434 173 R N 1.310 121.810 120.500 -0.001 0.000 2.541 173 R HA 0.319 4.661 4.340 0.002 0.000 0.254 173 R C -0.463 175.840 176.300 0.006 0.000 1.130 173 R CA -0.578 55.520 56.100 -0.004 0.000 1.152 173 R CB 0.490 30.780 30.300 -0.017 0.000 1.222 173 R HN 0.350 nan 8.270 nan 0.000 0.579 174 E N 1.240 121.442 120.200 0.004 0.000 2.413 174 E HA 0.083 4.434 4.350 0.002 0.000 0.263 174 E C -2.070 174.544 176.600 0.024 0.000 1.015 174 E CA -1.381 55.025 56.400 0.009 0.000 0.916 174 E CB 0.755 30.457 29.700 0.002 0.000 0.947 174 E HN 0.395 nan 8.360 nan 0.000 0.440 175 P HA 0.041 nan 4.420 nan 0.000 0.276 175 P C -0.730 176.591 177.300 0.034 0.000 1.244 175 P CA -0.487 62.644 63.100 0.053 0.000 0.801 175 P CB 0.495 32.209 31.700 0.023 0.000 1.006 176 T N -1.732 112.851 114.554 0.047 0.000 2.855 176 T HA 0.034 4.385 4.350 0.002 0.000 0.314 176 T C 1.473 176.159 174.700 -0.023 0.000 1.077 176 T CA -0.575 61.530 62.100 0.008 0.000 1.095 176 T CB -0.125 68.742 68.868 -0.003 0.000 0.987 176 T HN 0.067 nan 8.240 nan 0.000 0.546 177 V N 2.452 122.361 119.914 -0.009 0.000 2.252 177 V HA -0.260 3.861 4.120 0.002 0.000 0.249 177 V C 2.730 178.847 176.094 0.038 0.000 1.056 177 V CA 2.507 64.819 62.300 0.021 0.000 1.022 177 V CB -1.159 30.697 31.823 0.054 0.000 0.641 177 V HN 1.107 nan 8.190 nan 0.000 0.445 178 D N 1.527 121.926 120.400 -0.001 0.000 2.149 178 D HA -0.256 4.385 4.640 0.002 0.000 0.194 178 D C 1.701 177.984 176.300 -0.028 0.000 1.001 178 D CA 2.356 56.342 54.000 -0.024 0.000 0.849 178 D CB -0.724 39.696 40.800 -0.634 0.000 0.939 178 D HN 0.669 nan 8.370 nan 0.000 0.449 179 I N -2.774 117.696 120.570 -0.166 0.000 3.875 179 I HA 0.223 4.394 4.170 0.002 0.000 0.329 179 I C -0.076 176.036 176.117 -0.009 0.000 1.295 179 I CA -0.547 60.708 61.300 -0.076 0.000 1.129 179 I CB -0.003 37.870 38.000 -0.213 0.000 1.008 179 I HN -0.283 nan 8.210 nan 0.000 0.413 180 S N 3.400 119.100 115.700 -0.000 0.000 2.560 180 S HA 0.136 4.608 4.470 0.002 0.000 0.284 180 S C -1.330 173.277 174.600 0.012 0.000 1.327 180 S CA -0.631 57.572 58.200 0.005 0.000 1.055 180 S CB 0.859 64.062 63.200 0.005 0.000 0.868 180 S HN 0.148 nan 8.310 nan 0.000 0.506 181 P HA -0.165 nan 4.420 nan 0.000 0.218 181 P C 0.633 177.929 177.300 -0.006 0.000 1.154 181 P CA 1.251 64.349 63.100 -0.003 0.000 0.872 181 P CB 0.115 31.808 31.700 -0.012 0.000 0.790 182 D N -2.081 118.314 120.400 -0.009 0.000 2.162 182 D HA -0.067 4.575 4.640 0.002 0.000 0.203 182 D C 1.879 178.164 176.300 -0.025 0.000 0.967 182 D CA 1.219 55.208 54.000 -0.018 0.000 0.840 182 D CB -0.925 39.864 40.800 -0.019 0.000 0.972 182 D HN 0.129 nan 8.370 nan 0.000 0.482 183 T N 0.400 114.949 114.554 -0.008 0.000 2.746 183 T HA -0.106 4.245 4.350 0.002 0.000 0.267 183 T C 2.168 176.840 174.700 -0.047 0.000 1.039 183 T CA 1.571 63.668 62.100 -0.004 0.000 1.142 183 T CB -0.236 68.681 68.868 0.081 0.000 0.866 183 T HN 0.148 nan 8.240 nan 0.000 0.444 184 V N 0.093 119.994 119.914 -0.022 0.000 2.871 184 V HA 0.243 4.364 4.120 0.002 0.000 0.256 184 V C 2.556 178.605 176.094 -0.076 0.000 1.082 184 V CA 1.331 63.584 62.300 -0.078 0.000 1.105 184 V CB -1.452 30.422 31.823 0.085 0.000 0.713 184 V HN 0.432 nan 8.190 nan 0.000 0.473 185 G N 0.538 109.311 108.800 -0.045 0.000 2.408 185 G HA2 -0.162 3.800 3.960 0.002 0.000 0.217 185 G HA3 -0.162 3.800 3.960 0.002 0.000 0.217 185 G C 1.537 176.397 174.900 -0.067 0.000 1.150 185 G CA 1.441 46.516 45.100 -0.041 0.000 0.776 185 G HN 0.468 nan 8.290 nan 0.000 0.542 186 T N 1.354 115.856 114.554 -0.086 0.000 2.770 186 T HA 0.003 4.354 4.350 0.002 0.000 0.263 186 T C 2.457 177.078 174.700 -0.132 0.000 1.039 186 T CA 0.757 62.801 62.100 -0.093 0.000 1.142 186 T CB -0.230 68.585 68.868 -0.088 0.000 0.868 186 T HN 0.129 nan 8.240 nan 0.000 0.435 187 L N 1.022 122.107 121.223 -0.229 0.000 2.081 187 L HA -0.149 4.192 4.340 0.002 0.000 0.212 187 L C 2.840 179.607 176.870 -0.172 0.000 1.080 187 L CA 1.175 55.802 54.840 -0.354 0.000 0.754 187 L CB -0.639 40.863 42.059 -0.929 0.000 0.893 187 L HN 0.284 nan 8.230 nan 0.000 0.433 188 S N 0.008 115.656 115.700 -0.087 0.000 2.383 188 S HA -0.195 4.277 4.470 0.002 0.000 0.229 188 S C 1.871 176.445 174.600 -0.043 0.000 1.030 188 S CA 1.452 59.687 58.200 0.057 0.000 1.002 188 S CB -0.166 63.054 63.200 0.033 0.000 0.829 188 S HN 0.312 nan 8.310 nan 0.000 0.467 189 L N 1.445 122.611 121.223 -0.096 0.000 2.131 189 L HA 0.256 4.597 4.340 0.002 0.000 0.206 189 L C 1.984 178.738 176.870 -0.194 0.000 1.087 189 L CA 1.430 56.171 54.840 -0.165 0.000 0.767 189 L CB -0.670 41.323 42.059 -0.111 0.000 0.917 189 L HN 0.382 nan 8.230 nan 0.000 0.441 190 I N -0.944 119.558 120.570 -0.113 0.000 2.163 190 I HA -0.332 3.839 4.170 0.002 0.000 0.243 190 I C 2.357 178.406 176.117 -0.113 0.000 1.085 190 I CA 1.235 62.487 61.300 -0.081 0.000 1.347 190 I CB -0.430 37.565 38.000 -0.008 0.000 1.044 190 I HN 0.297 nan 8.210 nan 0.000 0.408 191 M N -0.155 119.423 119.600 -0.036 0.000 2.117 191 M HA -0.195 4.287 4.480 0.002 0.000 0.262 191 M C 2.416 178.650 176.300 -0.110 0.000 1.065 191 M CA 1.736 57.044 55.300 0.012 0.000 1.114 191 M CB -1.289 31.424 32.600 0.189 0.000 1.361 191 M HN 0.244 nan 8.290 nan 0.000 0.408 192 L N 0.639 121.745 121.223 -0.196 0.000 2.017 192 L HA -0.071 4.271 4.340 0.002 0.000 0.208 192 L C 2.541 179.145 176.870 -0.443 0.000 1.073 192 L CA 2.075 56.718 54.840 -0.330 0.000 0.745 192 L CB -1.019 40.731 42.059 -0.514 0.000 0.894 192 L HN 0.266 nan 8.230 nan 0.000 0.432 193 A N -1.145 121.336 122.820 -0.564 0.000 1.892 193 A HA -0.319 4.002 4.320 0.002 0.000 0.218 193 A C 2.220 179.505 177.584 -0.498 0.000 1.188 193 A CA 2.185 53.824 52.037 -0.663 0.000 0.631 193 A CB -0.683 17.547 19.000 -1.284 0.000 0.822 193 A HN 0.664 nan 8.150 nan 0.000 0.447 194 Q N -1.088 118.496 119.800 -0.360 0.000 2.224 194 Q HA -0.003 4.339 4.340 0.002 0.000 0.203 194 Q C 2.372 178.305 176.000 -0.112 0.000 0.970 194 Q CA 0.992 56.682 55.803 -0.189 0.000 0.865 194 Q CB -0.313 28.120 28.738 -0.508 0.000 0.922 194 Q HN 0.715 nan 8.270 nan 0.000 0.445 195 A N 0.719 123.509 122.820 -0.048 0.000 1.898 195 A HA -0.254 4.068 4.320 0.002 0.000 0.216 195 A C 2.015 179.804 177.584 0.341 0.000 1.181 195 A CA 1.608 53.788 52.037 0.238 0.000 0.620 195 A CB -0.430 18.716 19.000 0.244 0.000 0.819 195 A HN 0.255 nan 8.150 nan 0.000 0.442 196 Q N 0.181 120.121 119.800 0.235 0.000 2.079 196 Q HA -0.175 4.166 4.340 0.002 0.000 0.200 196 Q C 1.897 178.109 176.000 0.354 0.000 0.974 196 Q CA 2.194 58.184 55.803 0.311 0.000 0.840 196 Q CB -0.404 28.519 28.738 0.309 0.000 0.898 196 Q HN 0.734 nan 8.270 nan 0.000 0.430 197 E N -0.934 119.454 120.200 0.313 0.000 2.049 197 E HA -0.212 4.139 4.350 0.002 0.000 0.198 197 E C 1.845 178.725 176.600 0.467 0.000 1.007 197 E CA 1.837 58.492 56.400 0.425 0.000 0.809 197 E CB -0.092 29.891 29.700 0.471 0.000 0.749 197 E HN 0.293 nan 8.360 nan 0.000 0.450 198 V N 0.382 120.518 119.914 0.370 0.000 2.324 198 V HA -0.269 3.853 4.120 0.002 0.000 0.250 198 V C 2.053 178.186 176.094 0.064 0.000 1.060 198 V CA 1.948 64.365 62.300 0.194 0.000 1.042 198 V CB -0.588 31.286 31.823 0.085 0.000 0.650 198 V HN 0.306 nan 8.190 nan 0.000 0.450 199 F N -0.812 119.237 119.950 0.164 0.000 2.234 199 F HA -0.122 4.407 4.527 0.003 0.000 0.299 199 F C 2.101 177.972 175.800 0.119 0.000 1.087 199 F CA 1.874 59.942 58.000 0.113 0.000 1.340 199 F CB -0.500 38.564 39.000 0.106 0.000 1.031 199 F HN 0.239 nan 8.300 nan 0.000 0.500 200 F N 0.629 120.700 119.950 0.203 0.000 2.146 200 F HA -0.162 4.366 4.527 0.002 0.000 0.298 200 F C 1.794 177.627 175.800 0.054 0.000 1.096 200 F CA 1.532 59.595 58.000 0.106 0.000 1.275 200 F CB -0.716 38.344 39.000 0.101 0.000 1.008 200 F HN -0.133 nan 8.300 nan 0.000 0.480 201 L N 0.648 121.697 121.223 -0.290 0.000 2.046 201 L HA -0.217 4.125 4.340 0.002 0.000 0.208 201 L C 2.675 179.402 176.870 -0.239 0.000 1.077 201 L CA 1.918 56.547 54.840 -0.352 0.000 0.747 201 L CB -0.884 41.143 42.059 -0.055 0.000 0.896 201 L HN 0.187 nan 8.230 nan 0.000 0.432 202 K N 0.686 121.000 120.400 -0.144 0.000 2.009 202 K HA -0.223 4.098 4.320 0.002 0.000 0.210 202 K C 2.184 178.722 176.600 -0.104 0.000 1.049 202 K CA 1.564 57.780 56.287 -0.118 0.000 0.929 202 K CB -0.192 32.234 32.500 -0.122 0.000 0.714 202 K HN 0.232 nan 8.250 nan 0.000 0.440 203 A N 0.668 123.438 122.820 -0.083 0.000 1.917 203 A HA -0.182 4.140 4.320 0.002 0.000 0.219 203 A C 2.240 179.730 177.584 -0.157 0.000 1.182 203 A CA 2.384 54.373 52.037 -0.080 0.000 0.633 203 A CB -1.193 17.784 19.000 -0.039 0.000 0.819 203 A HN 0.520 nan 8.150 nan 0.000 0.448 204 T N -1.068 113.309 114.554 -0.295 0.000 2.708 204 T HA -0.138 4.213 4.350 0.002 0.000 0.266 204 T C 2.088 176.696 174.700 -0.154 0.000 1.037 204 T CA 1.610 63.541 62.100 -0.281 0.000 1.146 204 T CB -0.207 68.385 68.868 -0.460 0.000 0.865 204 T HN 0.563 nan 8.240 nan 0.000 0.435 205 R N 0.908 121.318 120.500 -0.150 0.000 2.120 205 R HA -0.093 4.248 4.340 0.002 0.000 0.234 205 R C 1.137 177.399 176.300 -0.064 0.000 1.123 205 R CA 1.439 57.483 56.100 -0.093 0.000 0.975 205 R CB -0.090 30.157 30.300 -0.089 0.000 0.866 205 R HN 0.217 nan 8.270 nan 0.000 0.446 206 D N 0.815 121.177 120.400 -0.064 0.000 2.336 206 D HA -0.016 4.626 4.640 0.002 0.000 0.229 206 D C -0.209 176.074 176.300 -0.030 0.000 1.061 206 D CA 0.386 54.363 54.000 -0.040 0.000 0.875 206 D CB 0.275 41.056 40.800 -0.031 0.000 0.904 206 D HN 0.113 nan 8.370 nan 0.000 0.525 207 K N 0.240 120.619 120.400 -0.035 0.000 3.148 207 K HA -0.213 4.108 4.320 0.002 0.000 0.267 207 K C 0.227 176.819 176.600 -0.014 0.000 0.996 207 K CA 0.483 56.761 56.287 -0.016 0.000 0.737 207 K CB -2.079 30.420 32.500 -0.002 0.000 1.308 207 K HN 0.359 nan 8.250 nan 0.000 0.470 208 M N 0.781 120.364 119.600 -0.028 0.000 2.157 208 M HA 0.096 4.577 4.480 0.002 0.000 0.304 208 M C 1.010 177.300 176.300 -0.015 0.000 1.171 208 M CA 0.217 55.505 55.300 -0.020 0.000 1.157 208 M CB 0.342 32.929 32.600 -0.022 0.000 1.403 208 M HN -0.015 nan 8.290 nan 0.000 0.473 209 K N 1.407 121.802 120.400 -0.008 0.000 2.485 209 K HA -0.060 4.261 4.320 0.002 0.000 0.277 209 K C 0.306 176.905 176.600 -0.001 0.000 0.990 209 K CA -0.047 56.240 56.287 -0.001 0.000 0.994 209 K CB 0.359 32.857 32.500 -0.003 0.000 0.906 209 K HN 0.573 nan 8.250 nan 0.000 0.488 210 D N 1.953 122.371 120.400 0.029 0.000 2.218 210 D HA -0.162 4.480 4.640 0.002 0.000 0.204 210 D C 1.690 178.018 176.300 0.046 0.000 0.976 210 D CA 1.162 55.204 54.000 0.071 0.000 0.853 210 D CB 0.096 40.975 40.800 0.132 0.000 0.939 210 D HN 0.648 nan 8.370 nan 0.000 0.481 211 A N 0.970 123.803 122.820 0.022 0.000 1.883 211 A HA -0.181 4.140 4.320 0.002 0.000 0.217 211 A C 2.251 179.844 177.584 0.015 0.000 1.186 211 A CA 1.071 53.118 52.037 0.018 0.000 0.624 211 A CB -0.581 18.422 19.000 0.004 0.000 0.822 211 A HN 0.107 nan 8.150 nan 0.000 0.444 212 I N -0.121 120.451 120.570 0.004 0.000 2.163 212 I HA -0.211 3.960 4.170 0.002 0.000 0.240 212 I C 2.294 178.417 176.117 0.010 0.000 1.081 212 I CA 1.229 62.532 61.300 0.005 0.000 1.353 212 I CB -0.312 37.689 38.000 0.002 0.000 1.054 212 I HN 0.302 nan 8.210 nan 0.000 0.407 213 I N 0.453 121.004 120.570 -0.032 0.000 2.264 213 I HA -0.348 3.823 4.170 0.002 0.000 0.248 213 I C 2.629 178.761 176.117 0.025 0.000 1.111 213 I CA 1.422 62.683 61.300 -0.064 0.000 1.382 213 I CB -0.639 37.121 38.000 -0.400 0.000 1.060 213 I HN 0.222 nan 8.210 nan 0.000 0.418 214 A N 0.844 123.691 122.820 0.046 0.000 1.933 214 A HA -0.201 4.120 4.320 0.002 0.000 0.218 214 A C 2.335 179.954 177.584 0.059 0.000 1.175 214 A CA 1.553 53.655 52.037 0.108 0.000 0.628 214 A CB -0.377 18.696 19.000 0.121 0.000 0.814 214 A HN 0.344 nan 8.150 nan 0.000 0.444 215 K N -0.372 120.051 120.400 0.038 0.000 2.103 215 K HA 0.054 4.375 4.320 0.002 0.000 0.204 215 K C 1.803 178.409 176.600 0.010 0.000 1.052 215 K CA 1.109 57.404 56.287 0.014 0.000 0.945 215 K CB -0.327 32.175 32.500 0.005 0.000 0.722 215 K HN 0.453 nan 8.250 nan 0.000 0.443 216 L N 0.439 121.693 121.223 0.051 0.000 2.083 216 L HA -0.157 4.184 4.340 0.002 0.000 0.209 216 L C 2.527 179.430 176.870 0.055 0.000 1.083 216 L CA 1.095 55.987 54.840 0.086 0.000 0.752 216 L CB -0.506 41.666 42.059 0.188 0.000 0.899 216 L HN 0.197 nan 8.230 nan 0.000 0.433 217 A N -0.229 122.600 122.820 0.014 0.000 1.970 217 A HA -0.163 4.158 4.320 0.002 0.000 0.216 217 A C 2.046 179.556 177.584 -0.123 0.000 1.170 217 A CA 1.489 53.402 52.037 -0.207 0.000 0.645 217 A CB -0.484 18.335 19.000 -0.302 0.000 0.816 217 A HN 0.387 nan 8.150 nan 0.000 0.447 218 N N -0.412 118.253 118.700 -0.057 0.000 2.216 218 N HA -0.166 4.575 4.740 0.002 0.000 0.183 218 N C 1.849 177.304 175.510 -0.092 0.000 1.017 218 N CA 1.623 54.644 53.050 -0.049 0.000 0.861 218 N CB -0.242 38.230 38.487 -0.025 0.000 0.986 218 N HN 0.463 nan 8.380 nan 0.000 0.428 219 Q N 0.462 120.182 119.800 -0.132 0.000 2.050 219 Q HA 0.052 4.393 4.340 0.002 0.000 0.202 219 Q C 1.874 177.658 176.000 -0.359 0.000 0.980 219 Q CA 2.069 57.699 55.803 -0.289 0.000 0.840 219 Q CB -0.809 27.777 28.738 -0.252 0.000 0.898 219 Q HN 0.359 nan 8.270 nan 0.000 0.424 220 A N 0.359 123.100 122.820 -0.132 0.000 1.948 220 A HA -0.155 4.166 4.320 0.002 0.000 0.220 220 A C 2.289 179.918 177.584 0.075 0.000 1.177 220 A CA 2.164 54.193 52.037 -0.013 0.000 0.636 220 A CB -1.220 17.835 19.000 0.093 0.000 0.815 220 A HN 0.560 nan 8.150 nan 0.000 0.449 221 A N -0.556 122.311 122.820 0.078 0.000 1.930 221 A HA -0.136 4.185 4.320 0.002 0.000 0.217 221 A C 1.852 179.547 177.584 0.185 0.000 1.175 221 A CA 2.019 54.188 52.037 0.221 0.000 0.627 221 A CB -0.567 18.497 19.000 0.107 0.000 0.815 221 A HN 0.525 nan 8.150 nan 0.000 0.443 222 D N -1.941 118.452 120.400 -0.012 0.000 2.123 222 D HA -0.125 4.516 4.640 0.002 0.000 0.200 222 D C 1.636 177.901 176.300 -0.058 0.000 0.976 222 D CA 1.147 55.103 54.000 -0.072 0.000 0.831 222 D CB -0.168 40.516 40.800 -0.192 0.000 0.974 222 D HN 0.442 nan 8.370 nan 0.000 0.469 223 Y N -0.171 120.070 120.300 -0.097 0.000 2.089 223 Y HA -0.116 4.435 4.550 0.002 0.000 0.282 223 Y C 2.265 178.052 175.900 -0.189 0.000 1.139 223 Y CA 0.897 58.882 58.100 -0.191 0.000 1.123 223 Y CB -1.204 37.056 38.460 -0.333 0.000 0.980 223 Y HN 0.070 nan 8.280 nan 0.000 0.493 224 F N -0.556 119.446 119.950 0.086 0.000 2.216 224 F HA -0.137 4.391 4.527 0.002 0.000 0.300 224 F C 2.525 178.222 175.800 -0.171 0.000 1.085 224 F CA 1.000 58.983 58.000 -0.027 0.000 1.326 224 F CB -0.733 38.252 39.000 -0.025 0.000 1.027 224 F HN 0.074 nan 8.300 nan 0.000 0.497 225 G N -0.468 108.217 108.800 -0.191 0.000 2.408 225 G HA2 -0.205 3.757 3.960 0.002 0.000 0.217 225 G HA3 -0.205 3.757 3.960 0.002 0.000 0.217 225 G C 1.233 176.045 174.900 -0.148 0.000 1.150 225 G CA 0.970 45.689 45.100 -0.635 0.000 0.776 225 G HN 0.199 nan 8.290 nan 0.000 0.542 226 D N 1.035 121.409 120.400 -0.043 0.000 2.117 226 D HA 0.013 4.654 4.640 0.002 0.000 0.198 226 D C 2.820 179.135 176.300 0.026 0.000 0.982 226 D CA 1.117 55.125 54.000 0.013 0.000 0.828 226 D CB -0.446 40.376 40.800 0.035 0.000 0.967 226 D HN 0.278 nan 8.370 nan 0.000 0.464 227 A N 0.505 123.345 122.820 0.033 0.000 1.908 227 A HA -0.192 4.129 4.320 0.002 0.000 0.218 227 A C 2.114 179.726 177.584 0.046 0.000 1.181 227 A CA 1.080 53.135 52.037 0.031 0.000 0.627 227 A CB -1.050 17.976 19.000 0.044 0.000 0.818 227 A HN 0.248 nan 8.150 nan 0.000 0.445 228 F N 0.783 120.686 119.950 -0.079 0.000 2.095 228 F HA -0.193 4.335 4.527 0.002 0.000 0.298 228 F C 2.187 177.977 175.800 -0.017 0.000 1.104 228 F CA 2.270 60.207 58.000 -0.104 0.000 1.232 228 F CB -0.225 38.643 39.000 -0.220 0.000 0.987 228 F HN 0.139 nan 8.300 nan 0.000 0.475 229 K N -0.174 120.235 120.400 0.015 0.000 2.032 229 K HA -0.238 4.083 4.320 0.002 0.000 0.209 229 K C 2.108 178.667 176.600 -0.068 0.000 1.048 229 K CA 2.009 58.284 56.287 -0.021 0.000 0.927 229 K CB -0.391 32.154 32.500 0.075 0.000 0.712 229 K HN 0.441 nan 8.250 nan 0.000 0.441 230 Q N -0.001 119.774 119.800 -0.042 0.000 2.096 230 Q HA -0.196 4.146 4.340 0.002 0.000 0.204 230 Q C 2.282 178.233 176.000 -0.082 0.000 0.982 230 Q CA 1.567 57.346 55.803 -0.039 0.000 0.850 230 Q CB -0.233 28.486 28.738 -0.032 0.000 0.901 230 Q HN 0.387 nan 8.270 nan 0.000 0.422 231 C N 0.410 119.638 119.300 -0.119 0.000 2.456 231 C HA -0.064 4.397 4.460 0.002 0.000 0.279 231 C C 2.465 177.294 174.990 -0.268 0.000 1.427 231 C CA 0.193 59.131 59.018 -0.133 0.000 1.778 231 C CB -0.707 27.043 27.740 0.016 0.000 1.842 231 C HN 0.513 nan 8.230 nan 0.000 0.531 232 Q N -0.537 119.056 119.800 -0.345 0.000 2.124 232 Q HA -0.126 4.216 4.340 0.002 0.000 0.202 232 Q C -0.143 175.378 176.000 -0.799 0.000 0.977 232 Q CA 1.366 56.811 55.803 -0.597 0.000 0.850 232 Q CB 0.084 28.429 28.738 -0.655 0.000 0.901 232 Q HN 0.797 nan 8.270 nan 0.000 0.429 233 Y N -0.350 119.853 120.300 -0.162 0.000 2.495 233 Y HA 0.414 4.965 4.550 0.003 0.000 0.362 233 Y C -0.873 174.951 175.900 -0.126 0.000 0.956 233 Y CA -0.483 57.537 58.100 -0.133 0.000 1.127 233 Y CB 0.900 39.312 38.460 -0.080 0.000 1.173 233 Y HN -0.221 nan 8.280 nan 0.000 0.639 234 K N 1.656 122.000 120.400 -0.092 0.000 2.222 234 K HA 0.002 4.324 4.320 0.002 0.000 0.369 234 K C -1.960 174.550 176.600 -0.149 0.000 1.625 234 K CA -0.113 56.122 56.287 -0.087 0.000 1.097 234 K CB 0.273 32.744 32.500 -0.048 0.000 1.406 234 K HN 0.267 nan 8.250 nan 0.000 0.474 235 D N 2.613 122.911 120.400 -0.171 0.000 2.558 235 D HA 0.085 4.727 4.640 0.002 0.000 0.221 235 D C 0.690 176.898 176.300 -0.152 0.000 1.143 235 D CA 0.075 53.951 54.000 -0.207 0.000 1.010 235 D CB 0.644 41.306 40.800 -0.230 0.000 1.068 235 D HN 0.458 nan 8.370 nan 0.000 0.511 236 T N -0.276 114.190 114.554 -0.148 0.000 3.044 236 T HA 0.275 4.626 4.350 0.002 0.000 0.260 236 T C 0.825 175.391 174.700 -0.224 0.000 1.019 236 T CA -0.316 61.714 62.100 -0.118 0.000 0.921 236 T CB 0.057 68.889 68.868 -0.060 0.000 1.053 236 T HN 0.142 nan 8.240 nan 0.000 0.533 237 L N 0.884 121.918 121.223 -0.314 0.000 2.313 237 L HA 0.607 4.948 4.340 0.002 0.000 0.268 237 L C -2.453 174.182 176.870 -0.391 0.000 1.010 237 L CA -3.062 51.439 54.840 -0.565 0.000 0.814 237 L CB 1.202 42.997 42.059 -0.441 0.000 1.304 237 L HN -0.174 nan 8.230 nan 0.000 0.441 238 P HA -0.010 nan 4.420 nan 0.000 0.270 238 P C -0.085 177.170 177.300 -0.074 0.000 1.221 238 P CA -0.247 62.764 63.100 -0.149 0.000 0.788 238 P CB 0.393 32.057 31.700 -0.060 0.000 0.904 239 K N 1.082 121.481 120.400 -0.002 0.000 2.211 239 K HA -0.139 4.183 4.320 0.002 0.000 0.203 239 K C 0.977 177.607 176.600 0.051 0.000 1.050 239 K CA 1.618 57.921 56.287 0.028 0.000 0.945 239 K CB -0.305 32.233 32.500 0.062 0.000 0.732 239 K HN 0.402 nan 8.250 nan 0.000 0.451 240 E N 1.105 121.339 120.200 0.058 0.000 2.481 240 E HA -0.019 4.333 4.350 0.002 0.000 0.195 240 E C 1.738 178.270 176.600 -0.114 0.000 1.047 240 E CA 0.077 56.488 56.400 0.019 0.000 0.867 240 E CB 0.254 30.066 29.700 0.187 0.000 0.858 240 E HN 0.075 nan 8.360 nan 0.000 0.513 241 V N 0.768 120.650 119.914 -0.054 0.000 2.358 241 V HA -0.226 3.895 4.120 0.002 0.000 0.246 241 V C 1.853 177.907 176.094 -0.066 0.000 1.047 241 V CA 1.529 63.790 62.300 -0.065 0.000 1.035 241 V CB -0.384 31.399 31.823 -0.067 0.000 0.658 241 V HN 0.282 nan 8.190 nan 0.000 0.452 242 F N 2.458 122.307 119.950 -0.168 0.000 2.075 242 F HA -0.058 4.471 4.527 0.002 0.000 0.297 242 F C 0.004 175.730 175.800 -0.124 0.000 1.113 242 F CA 1.796 59.721 58.000 -0.125 0.000 1.218 242 F CB -1.555 37.371 39.000 -0.125 0.000 0.984 242 F HN 0.223 nan 8.300 nan 0.000 0.472 243 P HA -0.127 nan 4.420 nan 0.000 0.218 243 P C 2.100 178.910 177.300 -0.817 0.000 1.149 243 P CA 1.612 64.391 63.100 -0.535 0.000 0.817 243 P CB -0.172 31.215 31.700 -0.522 0.000 0.785 244 V N 0.213 119.736 119.914 -0.651 0.000 2.358 244 V HA -0.198 3.923 4.120 0.002 0.000 0.246 244 V C 2.780 178.580 176.094 -0.491 0.000 1.047 244 V CA 1.418 63.406 62.300 -0.521 0.000 1.035 244 V CB -1.173 30.456 31.823 -0.323 0.000 0.658 244 V HN 0.012 nan 8.190 nan 0.000 0.452 245 L N -0.003 120.998 121.223 -0.369 0.000 2.042 245 L HA -0.200 4.141 4.340 0.002 0.000 0.210 245 L C 2.733 179.364 176.870 -0.398 0.000 1.076 245 L CA 1.708 56.388 54.840 -0.266 0.000 0.749 245 L CB -0.783 41.258 42.059 -0.030 0.000 0.893 245 L HN 0.379 nan 8.230 nan 0.000 0.432 246 A N -0.098 122.376 122.820 -0.577 0.000 1.877 246 A HA -0.181 4.140 4.320 0.002 0.000 0.216 246 A C 2.536 179.685 177.584 -0.725 0.000 1.186 246 A CA 1.764 53.306 52.037 -0.825 0.000 0.620 246 A CB -0.757 17.710 19.000 -0.888 0.000 0.822 246 A HN 0.413 nan 8.150 nan 0.000 0.443 247 A N -0.187 122.073 122.820 -0.934 0.000 1.865 247 A HA -0.212 4.109 4.320 0.002 0.000 0.217 247 A C 2.137 179.448 177.584 -0.456 0.000 1.191 247 A CA 2.014 53.669 52.037 -0.638 0.000 0.623 247 A CB -0.523 18.131 19.000 -0.576 0.000 0.826 247 A HN 0.530 nan 8.150 nan 0.000 0.444 248 K N -1.688 118.368 120.400 -0.574 0.000 2.147 248 K HA -0.179 4.142 4.320 0.002 0.000 0.205 248 K C 2.103 178.359 176.600 -0.573 0.000 1.049 248 K CA 1.394 57.238 56.287 -0.739 0.000 0.936 248 K CB -0.291 31.381 32.500 -1.381 0.000 0.722 248 K HN 0.694 nan 8.250 nan 0.000 0.446 249 H N 0.546 119.307 119.070 -0.515 0.000 2.319 249 H HA -0.131 4.426 4.556 0.002 0.000 0.299 249 H C 1.807 177.001 175.328 -0.225 0.000 1.092 249 H CA 1.695 57.589 56.048 -0.256 0.000 1.302 249 H CB -0.518 29.075 29.762 -0.281 0.000 1.373 249 H HN 0.170 nan 8.280 nan 0.000 0.497 250 C N -0.084 118.994 119.300 -0.370 0.000 2.466 250 C HA 0.010 4.471 4.460 0.002 0.000 0.278 250 C C 3.076 177.930 174.990 -0.227 0.000 1.288 250 C CA 0.726 59.534 59.018 -0.350 0.000 1.722 250 C CB -0.959 26.635 27.740 -0.244 0.000 2.017 250 C HN 0.568 nan 8.230 nan 0.000 0.488 251 I N 0.433 120.891 120.570 -0.186 0.000 2.315 251 I HA -0.211 3.960 4.170 0.002 0.000 0.248 251 I C 2.465 178.536 176.117 -0.076 0.000 1.117 251 I CA 1.297 62.554 61.300 -0.072 0.000 1.404 251 I CB -0.335 37.604 38.000 -0.101 0.000 1.071 251 I HN 0.291 nan 8.210 nan 0.000 0.419 252 M N -0.316 119.184 119.600 -0.168 0.000 2.288 252 M HA -0.133 4.349 4.480 0.002 0.000 0.266 252 M C 2.211 178.433 176.300 -0.130 0.000 1.072 252 M CA 1.488 56.676 55.300 -0.187 0.000 1.132 252 M CB -1.092 31.453 32.600 -0.091 0.000 1.386 252 M HN 0.278 nan 8.290 nan 0.000 0.432 253 Q N -0.036 119.676 119.800 -0.147 0.000 2.061 253 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 253 Q C 2.207 178.138 176.000 -0.116 0.000 0.984 253 Q CA 1.913 57.622 55.803 -0.158 0.000 0.846 253 Q CB -0.220 28.346 28.738 -0.287 0.000 0.902 253 Q HN 0.563 nan 8.270 nan 0.000 0.421 254 A N 1.333 124.100 122.820 -0.089 0.000 1.902 254 A HA -0.205 4.116 4.320 0.002 0.000 0.217 254 A C 1.809 179.556 177.584 0.271 0.000 1.181 254 A CA 1.420 53.456 52.037 -0.003 0.000 0.623 254 A CB -0.570 18.413 19.000 -0.028 0.000 0.818 254 A HN 0.326 nan 8.150 nan 0.000 0.443 255 N N 0.332 119.225 118.700 0.320 0.000 2.104 255 N HA -0.164 4.577 4.740 0.002 0.000 0.190 255 N C 1.969 177.701 175.510 0.369 0.000 1.024 255 N CA 1.513 54.778 53.050 0.357 0.000 0.853 255 N CB -0.383 38.096 38.487 -0.013 0.000 1.008 255 N HN 0.484 nan 8.380 nan 0.000 0.424 256 A N 1.811 124.728 122.820 0.161 0.000 1.877 256 A HA -0.135 4.186 4.320 0.002 0.000 0.216 256 A C 2.100 179.782 177.584 0.164 0.000 1.186 256 A CA 1.181 53.303 52.037 0.143 0.000 0.620 256 A CB -0.364 18.661 19.000 0.041 0.000 0.822 256 A HN 0.174 nan 8.150 nan 0.000 0.443 257 E N -1.088 119.185 120.200 0.121 0.000 2.058 257 E HA -0.225 4.127 4.350 0.002 0.000 0.194 257 E C 1.853 178.532 176.600 0.131 0.000 0.997 257 E CA 1.659 58.122 56.400 0.105 0.000 0.801 257 E CB -0.577 29.152 29.700 0.048 0.000 0.746 257 E HN 0.805 nan 8.360 nan 0.000 0.450 258 Y N 1.345 121.690 120.300 0.075 0.000 2.181 258 Y HA -0.234 4.317 4.550 0.003 0.000 0.288 258 Y C 2.318 178.197 175.900 -0.035 0.000 1.146 258 Y CA 1.870 59.985 58.100 0.026 0.000 1.164 258 Y CB -0.231 38.291 38.460 0.103 0.000 0.982 258 Y HN 0.165 nan 8.280 nan 0.000 0.515 259 H N -1.070 118.044 119.070 0.073 0.000 2.436 259 H HA -0.088 4.470 4.556 0.002 0.000 0.294 259 H C 1.985 177.272 175.328 -0.068 0.000 1.048 259 H CA 1.468 57.493 56.048 -0.038 0.000 1.353 259 H CB -0.057 29.780 29.762 0.125 0.000 1.414 259 H HN 0.374 nan 8.280 nan 0.000 0.536 260 Q N 1.239 121.090 119.800 0.085 0.000 2.167 260 Q HA -0.104 4.237 4.340 0.002 0.000 0.202 260 Q C 2.441 178.429 176.000 -0.019 0.000 0.970 260 Q CA 1.555 57.382 55.803 0.040 0.000 0.855 260 Q CB -0.001 28.770 28.738 0.055 0.000 0.911 260 Q HN 0.400 nan 8.270 nan 0.000 0.438 261 S N -0.701 114.958 115.700 -0.067 0.000 2.387 261 S HA -0.089 4.383 4.470 0.002 0.000 0.226 261 S C 1.925 176.446 174.600 -0.131 0.000 1.026 261 S CA 0.958 59.108 58.200 -0.083 0.000 0.972 261 S CB -0.527 62.627 63.200 -0.077 0.000 0.814 261 S HN 0.471 nan 8.310 nan 0.000 0.477 262 I N 0.648 121.088 120.570 -0.217 0.000 2.335 262 I HA -0.131 4.040 4.170 0.002 0.000 0.251 262 I C 2.431 178.471 176.117 -0.127 0.000 1.129 262 I CA 0.932 62.120 61.300 -0.187 0.000 1.402 262 I CB -0.381 37.491 38.000 -0.213 0.000 1.069 262 I HN 0.298 nan 8.210 nan 0.000 0.424 263 L N 0.831 121.998 121.223 -0.093 0.000 2.072 263 L HA -0.083 4.258 4.340 0.002 0.000 0.205 263 L C 2.633 179.430 176.870 -0.123 0.000 1.079 263 L CA 1.893 56.681 54.840 -0.088 0.000 0.752 263 L CB -0.717 41.322 42.059 -0.034 0.000 0.906 263 L HN 0.162 nan 8.230 nan 0.000 0.436 264 A N -0.658 122.118 122.820 -0.073 0.000 1.858 264 A HA -0.287 4.034 4.320 0.002 0.000 0.216 264 A C 2.412 179.851 177.584 -0.242 0.000 1.190 264 A CA 2.047 54.062 52.037 -0.037 0.000 0.617 264 A CB -0.643 18.376 19.000 0.032 0.000 0.827 264 A HN 0.414 nan 8.150 nan 0.000 0.443 265 K N -0.526 119.747 120.400 -0.212 0.000 2.034 265 K HA -0.284 4.037 4.320 0.002 0.000 0.214 265 K C 2.176 178.505 176.600 -0.451 0.000 1.051 265 K CA 2.144 58.276 56.287 -0.258 0.000 0.931 265 K CB -0.262 32.191 32.500 -0.079 0.000 0.715 265 K HN 0.617 nan 8.250 nan 0.000 0.446 266 Q N -0.192 119.378 119.800 -0.382 0.000 2.291 266 Q HA -0.127 4.214 4.340 0.002 0.000 0.205 266 Q C 1.380 176.925 176.000 -0.758 0.000 0.970 266 Q CA 1.145 56.670 55.803 -0.464 0.000 0.876 266 Q CB 0.221 28.793 28.738 -0.277 0.000 0.935 266 Q HN 0.430 nan 8.270 nan 0.000 0.455 267 Q N -1.083 118.249 119.800 -0.781 0.000 2.280 267 Q HA 0.028 4.369 4.340 0.002 0.000 0.201 267 Q C -0.783 174.545 176.000 -1.119 0.000 0.890 267 Q CA -0.181 55.043 55.803 -0.966 0.000 0.947 267 Q CB 0.561 28.712 28.738 -0.979 0.000 1.081 267 Q HN 0.401 nan 8.270 nan 0.000 0.502 268 Y N -3.054 116.698 120.300 -0.914 0.000 4.272 268 Y HA -0.277 4.275 4.550 0.002 0.000 0.232 268 Y C -0.676 174.544 175.900 -1.134 0.000 1.149 268 Y CA -0.096 57.192 58.100 -1.353 0.000 1.961 268 Y CB -2.475 35.583 38.460 -0.670 0.000 1.611 268 Y HN 0.242 nan 8.280 nan 0.000 0.682 269 Y N -0.304 119.585 120.300 -0.685 0.000 2.767 269 Y HA 0.289 4.840 4.550 0.002 0.000 0.354 269 Y C 1.047 176.747 175.900 -0.333 0.000 1.292 269 Y CA -1.623 56.252 58.100 -0.375 0.000 1.749 269 Y CB -1.246 37.082 38.460 -0.220 0.000 1.841 269 Y HN 0.226 nan 8.280 nan 0.000 0.454 270 F N -0.682 119.300 119.950 0.054 0.000 2.269 270 F HA -0.098 4.430 4.527 0.002 0.000 0.301 270 F C 2.297 178.123 175.800 0.044 0.000 1.082 270 F CA 1.125 59.122 58.000 -0.005 0.000 1.360 270 F CB -0.263 38.682 39.000 -0.091 0.000 1.041 270 F HN 0.449 nan 8.300 nan 0.000 0.512 271 G N -0.336 108.585 108.800 0.202 0.000 2.394 271 G HA2 -0.235 3.726 3.960 0.002 0.000 0.215 271 G HA3 -0.235 3.726 3.960 0.002 0.000 0.215 271 G C 1.464 176.411 174.900 0.078 0.000 1.165 271 G CA 0.729 45.906 45.100 0.129 0.000 0.784 271 G HN 0.406 nan 8.290 nan 0.000 0.535 272 E N 0.518 120.748 120.200 0.050 0.000 2.085 272 E HA -0.206 4.145 4.350 0.002 0.000 0.194 272 E C 2.195 178.820 176.600 0.042 0.000 0.994 272 E CA 1.413 57.826 56.400 0.021 0.000 0.801 272 E CB -0.282 29.409 29.700 -0.014 0.000 0.743 272 E HN 0.606 nan 8.360 nan 0.000 0.453 273 E N 0.418 120.653 120.200 0.058 0.000 2.070 273 E HA -0.237 4.114 4.350 0.002 0.000 0.197 273 E C 2.175 178.812 176.600 0.063 0.000 1.004 273 E CA 1.708 58.139 56.400 0.050 0.000 0.805 273 E CB -0.190 29.554 29.700 0.072 0.000 0.744 273 E HN 0.430 nan 8.360 nan 0.000 0.451 274 I N 0.714 121.335 120.570 0.085 0.000 2.252 274 I HA -0.223 3.949 4.170 0.002 0.000 0.245 274 I C 2.604 178.757 176.117 0.060 0.000 1.102 274 I CA 0.907 62.253 61.300 0.077 0.000 1.385 274 I CB -0.297 37.755 38.000 0.087 0.000 1.064 274 I HN 0.201 nan 8.210 nan 0.000 0.414 275 A N 0.873 123.724 122.820 0.051 0.000 1.902 275 A HA -0.197 4.124 4.320 0.002 0.000 0.217 275 A C 2.386 180.006 177.584 0.060 0.000 1.181 275 A CA 1.466 53.526 52.037 0.039 0.000 0.623 275 A CB -0.501 18.509 19.000 0.017 0.000 0.818 275 A HN 0.326 nan 8.150 nan 0.000 0.443 276 R N -0.800 119.739 120.500 0.065 0.000 2.090 276 R HA 0.080 4.421 4.340 0.002 0.000 0.228 276 R C 2.002 178.358 176.300 0.094 0.000 1.110 276 R CA 1.136 57.291 56.100 0.093 0.000 0.973 276 R CB -0.458 29.881 30.300 0.066 0.000 0.869 276 R HN 0.477 nan 8.270 nan 0.000 0.440 277 L N 0.857 122.123 121.223 0.071 0.000 2.141 277 L HA -0.183 4.159 4.340 0.002 0.000 0.209 277 L C 2.483 179.381 176.870 0.047 0.000 1.094 277 L CA 1.342 56.225 54.840 0.070 0.000 0.763 277 L CB -0.273 41.831 42.059 0.075 0.000 0.908 277 L HN 0.237 nan 8.230 nan 0.000 0.437 278 Q N -1.201 118.633 119.800 0.058 0.000 2.079 278 Q HA -0.238 4.104 4.340 0.002 0.000 0.200 278 Q C 2.105 178.154 176.000 0.083 0.000 0.974 278 Q CA 1.455 57.287 55.803 0.048 0.000 0.840 278 Q CB -0.221 28.543 28.738 0.042 0.000 0.898 278 Q HN 0.597 nan 8.270 nan 0.000 0.430 279 H N -0.077 118.980 119.070 -0.021 0.000 2.319 279 H HA -0.151 4.407 4.556 0.003 0.000 0.299 279 H C 1.977 177.275 175.328 -0.049 0.000 1.092 279 H CA 1.008 57.038 56.048 -0.031 0.000 1.302 279 H CB 0.199 29.948 29.762 -0.022 0.000 1.373 279 H HN 0.302 nan 8.280 nan 0.000 0.497 280 A N 1.086 123.866 122.820 -0.066 0.000 1.908 280 A HA -0.169 4.152 4.320 0.002 0.000 0.218 280 A C 2.610 180.071 177.584 -0.206 0.000 1.181 280 A CA 1.702 53.632 52.037 -0.177 0.000 0.627 280 A CB -1.081 17.860 19.000 -0.098 0.000 0.818 280 A HN 0.614 nan 8.150 nan 0.000 0.445 281 A N -0.537 122.205 122.820 -0.130 0.000 1.902 281 A HA -0.178 4.143 4.320 0.002 0.000 0.217 281 A C 2.040 179.560 177.584 -0.106 0.000 1.181 281 A CA 1.818 53.775 52.037 -0.134 0.000 0.623 281 A CB -0.573 18.382 19.000 -0.075 0.000 0.818 281 A HN 0.676 nan 8.150 nan 0.000 0.443 282 E N -0.136 120.030 120.200 -0.056 0.000 2.038 282 E HA -0.199 4.152 4.350 0.002 0.000 0.195 282 E C 1.969 178.531 176.600 -0.065 0.000 1.000 282 E CA 1.353 57.734 56.400 -0.031 0.000 0.803 282 E CB -0.258 29.462 29.700 0.034 0.000 0.750 282 E HN 0.601 nan 8.360 nan 0.000 0.448 283 L N 0.685 121.843 121.223 -0.108 0.000 1.990 283 L HA -0.251 4.090 4.340 0.002 0.000 0.213 283 L C 2.542 179.335 176.870 -0.129 0.000 1.072 283 L CA 0.898 55.649 54.840 -0.148 0.000 0.755 283 L CB -0.416 41.491 42.059 -0.254 0.000 0.889 283 L HN 0.322 nan 8.230 nan 0.000 0.432 284 I N -0.158 120.310 120.570 -0.170 0.000 2.493 284 I HA -0.238 3.934 4.170 0.002 0.000 0.254 284 I C 2.488 178.542 176.117 -0.105 0.000 1.160 284 I CA 1.293 62.498 61.300 -0.159 0.000 1.445 284 I CB -0.967 36.850 38.000 -0.304 0.000 1.086 284 I HN 0.339 nan 8.210 nan 0.000 0.433 285 K N 0.768 121.109 120.400 -0.100 0.000 2.025 285 K HA -0.150 4.172 4.320 0.002 0.000 0.207 285 K C 2.053 178.618 176.600 -0.058 0.000 1.049 285 K CA 1.845 58.089 56.287 -0.071 0.000 0.933 285 K CB 0.007 32.469 32.500 -0.063 0.000 0.714 285 K HN 0.157 nan 8.250 nan 0.000 0.438 286 T N 0.763 115.282 114.554 -0.057 0.000 2.720 286 T HA -0.130 4.221 4.350 0.002 0.000 0.268 286 T C 1.844 176.513 174.700 -0.052 0.000 1.037 286 T CA 1.491 63.555 62.100 -0.059 0.000 1.144 286 T CB -0.181 68.658 68.868 -0.048 0.000 0.864 286 T HN 0.007 nan 8.240 nan 0.000 0.444 287 V N 1.622 121.538 119.914 0.003 0.000 2.295 287 V HA -0.176 3.946 4.120 0.002 0.000 0.246 287 V C 2.885 179.016 176.094 0.062 0.000 1.049 287 V CA 1.686 64.050 62.300 0.107 0.000 1.024 287 V CB -1.232 30.640 31.823 0.082 0.000 0.648 287 V HN 0.538 nan 8.190 nan 0.000 0.447 288 A N 0.680 123.504 122.820 0.008 0.000 1.908 288 A HA -0.252 4.070 4.320 0.002 0.000 0.218 288 A C 2.532 180.104 177.584 -0.020 0.000 1.181 288 A CA 2.737 54.773 52.037 -0.001 0.000 0.627 288 A CB -0.735 18.253 19.000 -0.021 0.000 0.818 288 A HN 0.703 nan 8.150 nan 0.000 0.445 289 S N -1.108 114.561 115.700 -0.053 0.000 2.406 289 S HA -0.036 4.435 4.470 0.002 0.000 0.224 289 S C 1.988 176.515 174.600 -0.122 0.000 1.030 289 S CA 0.962 59.119 58.200 -0.072 0.000 0.958 289 S CB -0.272 62.886 63.200 -0.070 0.000 0.811 289 S HN 0.611 nan 8.310 nan 0.000 0.489 290 R N -0.227 120.138 120.500 -0.226 0.000 2.140 290 R HA 0.178 4.519 4.340 0.002 0.000 0.213 290 R C 0.362 176.362 176.300 -0.500 0.000 1.059 290 R CA 0.698 56.526 56.100 -0.454 0.000 1.000 290 R CB 0.073 29.940 30.300 -0.721 0.000 0.910 290 R HN 0.577 nan 8.270 nan 0.000 0.455 291 Y N 0.538 120.872 120.300 0.056 0.000 2.716 291 Y HA 0.134 4.685 4.550 0.002 0.000 0.260 291 Y C 0.588 176.557 175.900 0.115 0.000 1.141 291 Y CA -0.765 57.425 58.100 0.150 0.000 1.168 291 Y CB 0.717 39.237 38.460 0.101 0.000 1.189 291 Y HN 0.172 nan 8.280 nan 0.000 0.549 292 D N 0.399 120.868 120.400 0.114 0.000 2.221 292 D HA -0.253 4.388 4.640 0.002 0.000 0.204 292 D C 1.401 177.697 176.300 -0.006 0.000 0.982 292 D CA 1.072 55.100 54.000 0.047 0.000 0.857 292 D CB -0.054 40.748 40.800 0.003 0.000 0.934 292 D HN 0.428 nan 8.370 nan 0.000 0.475 293 E N -1.150 119.006 120.200 -0.074 0.000 2.267 293 E HA -0.169 4.182 4.350 0.002 0.000 0.197 293 E C 0.750 177.066 176.600 -0.474 0.000 0.998 293 E CA 0.957 57.152 56.400 -0.342 0.000 0.830 293 E CB -0.015 29.339 29.700 -0.577 0.000 0.751 293 E HN 0.497 nan 8.360 nan 0.000 0.491 294 Y N -2.118 118.218 120.300 0.061 0.000 2.452 294 Y HA 0.194 4.746 4.550 0.003 0.000 0.262 294 Y C 0.117 176.015 175.900 -0.003 0.000 1.089 294 Y CA -0.394 57.723 58.100 0.028 0.000 1.262 294 Y CB 1.124 39.591 38.460 0.013 0.000 1.236 294 Y HN -0.116 nan 8.280 nan 0.000 0.512 295 V N -1.648 118.349 119.914 0.139 0.000 3.114 295 V HA 0.595 4.716 4.120 0.002 0.000 0.308 295 V C -1.367 174.756 176.094 0.049 0.000 1.168 295 V CA -1.225 61.113 62.300 0.063 0.000 1.015 295 V CB 2.207 34.046 31.823 0.026 0.000 1.050 295 V HN 0.130 nan 8.190 nan 0.000 0.433 296 N N 1.285 120.005 118.700 0.034 0.000 2.479 296 N HA 0.596 5.338 4.740 0.002 0.000 0.261 296 N C -0.108 175.429 175.510 0.045 0.000 0.979 296 N CA -0.203 52.868 53.050 0.035 0.000 0.930 296 N CB 1.954 40.459 38.487 0.030 0.000 1.172 296 N HN 0.968 nan 8.380 nan 0.000 0.499 297 V N 1.375 121.320 119.914 0.053 0.000 3.121 297 V HA 0.309 4.431 4.120 0.002 0.000 0.344 297 V C 1.701 177.838 176.094 0.071 0.000 1.390 297 V CA -0.338 62.014 62.300 0.088 0.000 1.177 297 V CB 0.070 31.945 31.823 0.087 0.000 1.163 297 V HN 0.577 nan 8.190 nan 0.000 0.484 298 K N 1.373 121.800 120.400 0.044 0.000 2.002 298 K HA -0.200 4.121 4.320 0.002 0.000 0.209 298 K C 1.557 178.179 176.600 0.035 0.000 1.048 298 K CA 2.307 58.609 56.287 0.025 0.000 0.930 298 K CB -0.183 32.327 32.500 0.017 0.000 0.714 298 K HN 0.535 nan 8.250 nan 0.000 0.438 299 D N 0.235 120.667 120.400 0.054 0.000 2.104 299 D HA -0.177 4.464 4.640 0.002 0.000 0.194 299 D C 1.674 178.036 176.300 0.103 0.000 0.994 299 D CA 0.814 54.848 54.000 0.058 0.000 0.830 299 D CB -0.377 40.452 40.800 0.047 0.000 0.959 299 D HN 0.145 nan 8.370 nan 0.000 0.452 300 F N 1.353 121.255 119.950 -0.079 0.000 2.134 300 F HA -0.158 4.370 4.527 0.002 0.000 0.299 300 F C 2.515 178.229 175.800 -0.143 0.000 1.097 300 F CA 1.218 59.137 58.000 -0.136 0.000 1.264 300 F CB -0.832 38.101 39.000 -0.111 0.000 1.001 300 F HN -0.102 nan 8.300 nan 0.000 0.479 301 S N -0.149 115.494 115.700 -0.094 0.000 2.382 301 S HA -0.173 4.299 4.470 0.002 0.000 0.228 301 S C 1.812 176.338 174.600 -0.123 0.000 1.027 301 S CA 1.662 59.747 58.200 -0.192 0.000 0.991 301 S CB -0.483 62.648 63.200 -0.114 0.000 0.823 301 S HN 0.416 nan 8.310 nan 0.000 0.469 302 D N 1.233 121.601 120.400 -0.054 0.000 2.084 302 D HA -0.089 4.553 4.640 0.002 0.000 0.194 302 D C 1.963 178.245 176.300 -0.030 0.000 0.990 302 D CA 1.156 55.138 54.000 -0.030 0.000 0.826 302 D CB -0.459 40.338 40.800 -0.005 0.000 0.971 302 D HN 0.477 nan 8.370 nan 0.000 0.453 303 K N 0.441 120.824 120.400 -0.028 0.000 2.044 303 K HA -0.159 4.162 4.320 0.002 0.000 0.210 303 K C 2.252 178.826 176.600 -0.042 0.000 1.049 303 K CA 1.057 57.328 56.287 -0.027 0.000 0.927 303 K CB -0.232 32.238 32.500 -0.050 0.000 0.713 303 K HN 0.097 nan 8.250 nan 0.000 0.443 304 I N 1.276 121.750 120.570 -0.159 0.000 2.142 304 I HA -0.333 3.839 4.170 0.002 0.000 0.240 304 I C 2.041 178.148 176.117 -0.018 0.000 1.078 304 I CA 1.200 62.435 61.300 -0.107 0.000 1.343 304 I CB -0.494 37.329 38.000 -0.294 0.000 1.046 304 I HN 0.262 nan 8.210 nan 0.000 0.405 305 N N 1.045 119.714 118.700 -0.052 0.000 2.061 305 N HA -0.198 4.543 4.740 0.002 0.000 0.193 305 N C 1.900 177.419 175.510 0.015 0.000 1.030 305 N CA 1.464 54.502 53.050 -0.019 0.000 0.856 305 N CB -0.414 38.056 38.487 -0.029 0.000 1.023 305 N HN 0.310 nan 8.380 nan 0.000 0.424 306 R N 0.484 120.998 120.500 0.024 0.000 2.083 306 R HA -0.048 4.293 4.340 0.002 0.000 0.237 306 R C 2.183 178.523 176.300 0.067 0.000 1.137 306 R CA 1.512 57.638 56.100 0.043 0.000 0.951 306 R CB -0.395 29.933 30.300 0.047 0.000 0.851 306 R HN 0.230 nan 8.270 nan 0.000 0.434 307 A N 0.839 123.719 122.820 0.100 0.000 1.930 307 A HA -0.129 4.193 4.320 0.002 0.000 0.217 307 A C 2.042 179.683 177.584 0.094 0.000 1.175 307 A CA 0.956 53.068 52.037 0.125 0.000 0.627 307 A CB -0.312 18.818 19.000 0.217 0.000 0.815 307 A HN 0.225 nan 8.150 nan 0.000 0.443 308 L N -0.578 120.692 121.223 0.078 0.000 2.072 308 L HA 0.100 4.441 4.340 0.002 0.000 0.205 308 L C 2.627 179.532 176.870 0.058 0.000 1.079 308 L CA 1.915 56.794 54.840 0.064 0.000 0.752 308 L CB -0.698 41.387 42.059 0.044 0.000 0.906 308 L HN 0.307 nan 8.230 nan 0.000 0.436 309 A N -0.475 122.375 122.820 0.050 0.000 1.898 309 A HA -0.044 4.278 4.320 0.002 0.000 0.216 309 A C 2.438 180.056 177.584 0.057 0.000 1.181 309 A CA 1.580 53.646 52.037 0.048 0.000 0.620 309 A CB -1.118 17.905 19.000 0.038 0.000 0.819 309 A HN 0.519 nan 8.150 nan 0.000 0.442 310 A N -0.136 122.719 122.820 0.059 0.000 1.902 310 A HA 0.148 4.469 4.320 0.002 0.000 0.217 310 A C 2.468 180.096 177.584 0.073 0.000 1.181 310 A CA 2.130 54.203 52.037 0.059 0.000 0.623 310 A CB -0.909 18.128 19.000 0.061 0.000 0.818 310 A HN 1.019 nan 8.150 nan 0.000 0.443 311 A N -0.519 122.352 122.820 0.085 0.000 1.929 311 A HA -0.069 4.253 4.320 0.002 0.000 0.216 311 A C 2.100 179.743 177.584 0.099 0.000 1.176 311 A CA 1.554 53.655 52.037 0.107 0.000 0.628 311 A CB -0.338 18.733 19.000 0.118 0.000 0.816 311 A HN 0.502 nan 8.150 nan 0.000 0.444 312 K N -0.238 120.212 120.400 0.083 0.000 2.148 312 K HA -0.142 4.179 4.320 0.002 0.000 0.204 312 K C 2.126 178.774 176.600 0.081 0.000 1.050 312 K CA 1.490 57.821 56.287 0.072 0.000 0.942 312 K CB -0.105 32.431 32.500 0.060 0.000 0.724 312 K HN 0.510 nan 8.250 nan 0.000 0.446 313 K N 1.380 121.840 120.400 0.101 0.000 1.973 313 K HA -0.192 4.129 4.320 0.002 0.000 0.212 313 K C 1.555 178.241 176.600 0.143 0.000 1.047 313 K CA 2.150 58.535 56.287 0.162 0.000 0.937 313 K CB -0.048 32.511 32.500 0.099 0.000 0.721 313 K HN -0.052 nan 8.250 nan 0.000 0.440 314 D N 0.198 120.623 120.400 0.042 0.000 2.158 314 D HA -0.183 4.458 4.640 0.002 0.000 0.197 314 D C 1.682 177.902 176.300 -0.133 0.000 0.995 314 D CA 1.204 55.157 54.000 -0.079 0.000 0.846 314 D CB -0.405 40.382 40.800 -0.022 0.000 0.941 314 D HN 0.297 nan 8.370 nan 0.000 0.456 315 N N 0.242 118.943 118.700 0.002 0.000 2.250 315 N HA -0.105 4.637 4.740 0.002 0.000 0.181 315 N C 1.068 176.506 175.510 -0.120 0.000 1.017 315 N CA 0.951 54.004 53.050 0.004 0.000 0.866 315 N CB 0.096 38.641 38.487 0.096 0.000 0.985 315 N HN -0.052 nan 8.380 nan 0.000 0.429 316 D N -0.996 119.350 120.400 -0.089 0.000 2.149 316 D HA -0.055 4.587 4.640 0.002 0.000 0.201 316 D C 1.183 177.267 176.300 -0.360 0.000 0.972 316 D CA 0.888 54.779 54.000 -0.181 0.000 0.835 316 D CB -0.085 40.582 40.800 -0.221 0.000 0.966 316 D HN 0.323 nan 8.370 nan 0.000 0.476 317 F N -0.400 119.426 119.950 -0.208 0.000 2.437 317 F HA 0.250 4.778 4.527 0.002 0.000 0.288 317 F C 2.194 177.721 175.800 -0.455 0.000 1.085 317 F CA 0.234 58.112 58.000 -0.203 0.000 1.430 317 F CB 0.269 39.187 39.000 -0.138 0.000 1.120 317 F HN -0.132 nan 8.300 nan 0.000 0.556 318 I N -2.259 118.024 120.570 -0.479 0.000 3.196 318 I HA -0.106 4.066 4.170 0.002 0.000 0.248 318 I C 1.685 177.368 176.117 -0.723 0.000 1.105 318 I CA 0.593 61.516 61.300 -0.628 0.000 1.482 318 I CB -0.490 37.000 38.000 -0.851 0.000 1.400 318 I HN -0.037 nan 8.210 nan 0.000 0.464 319 Y N 0.403 120.448 120.300 -0.425 0.000 2.286 319 Y HA -0.064 4.487 4.550 0.002 0.000 0.293 319 Y C 0.658 176.504 175.900 -0.089 0.000 1.124 319 Y CA 0.752 58.708 58.100 -0.240 0.000 1.178 319 Y CB -0.308 37.959 38.460 -0.322 0.000 1.010 319 Y HN 0.214 nan 8.280 nan 0.000 0.536 320 H N -0.288 118.856 119.070 0.123 0.000 2.713 320 H HA -0.190 4.367 4.556 0.002 0.000 0.311 320 H C -0.826 174.574 175.328 0.119 0.000 1.175 320 H CA 0.235 56.331 56.048 0.080 0.000 1.143 320 H CB -1.425 28.360 29.762 0.038 0.000 1.434 320 H HN 0.218 nan 8.280 nan 0.000 0.418 321 D N 0.646 121.191 120.400 0.242 0.000 2.264 321 D HA 0.166 4.807 4.640 0.002 0.000 0.250 321 D C 0.467 176.859 176.300 0.154 0.000 1.113 321 D CA -0.669 53.462 54.000 0.219 0.000 0.871 321 D CB 0.673 41.646 40.800 0.288 0.000 1.167 321 D HN 0.372 nan 8.370 nan 0.000 0.447 322 R N 2.737 123.306 120.500 0.114 0.000 2.570 322 R HA 0.168 4.510 4.340 0.002 0.000 0.277 322 R C -0.901 175.439 176.300 0.066 0.000 1.039 322 R CA -0.352 55.793 56.100 0.075 0.000 1.065 322 R CB 0.395 30.725 30.300 0.050 0.000 0.964 322 R HN 0.192 nan 8.270 nan 0.000 0.428 323 V N 7.785 127.731 119.914 0.053 0.000 2.408 323 V HA 0.237 4.359 4.120 0.002 0.000 0.267 323 V C -1.786 174.318 176.094 0.017 0.000 1.047 323 V CA -1.608 60.716 62.300 0.041 0.000 0.937 323 V CB 0.829 32.676 31.823 0.040 0.000 0.999 323 V HN 0.869 nan 8.190 nan 0.000 0.472 324 P HA 0.208 nan 4.420 nan 0.000 0.272 324 P C -0.466 176.821 177.300 -0.021 0.000 1.230 324 P CA -0.447 62.643 63.100 -0.016 0.000 0.788 324 P CB 0.504 32.184 31.700 -0.034 0.000 0.949 325 D N 0.793 121.176 120.400 -0.029 0.000 2.372 325 D HA 0.048 4.689 4.640 0.002 0.000 0.243 325 D C 1.615 177.883 176.300 -0.053 0.000 1.121 325 D CA -0.134 53.842 54.000 -0.039 0.000 0.898 325 D CB 0.899 41.677 40.800 -0.037 0.000 1.202 325 D HN 0.285 nan 8.370 nan 0.000 0.428 326 L N 1.990 123.167 121.223 -0.077 0.000 2.043 326 L HA -0.255 4.086 4.340 0.002 0.000 0.212 326 L C 2.429 179.249 176.870 -0.084 0.000 1.075 326 L CA 1.521 56.298 54.840 -0.105 0.000 0.752 326 L CB -0.394 41.544 42.059 -0.201 0.000 0.891 326 L HN 0.495 nan 8.230 nan 0.000 0.432 327 K N -0.915 119.441 120.400 -0.072 0.000 2.360 327 K HA -0.171 4.151 4.320 0.002 0.000 0.201 327 K C 0.904 177.477 176.600 -0.044 0.000 1.046 327 K CA 1.628 57.883 56.287 -0.054 0.000 0.945 327 K CB -0.139 32.335 32.500 -0.044 0.000 0.750 327 K HN 0.264 nan 8.250 nan 0.000 0.464 328 D N 0.883 121.254 120.400 -0.047 0.000 2.354 328 D HA 0.103 4.745 4.640 0.002 0.000 0.209 328 D C 0.520 176.788 176.300 -0.053 0.000 1.015 328 D CA 0.197 54.170 54.000 -0.045 0.000 0.867 328 D CB 0.123 40.897 40.800 -0.044 0.000 0.933 328 D HN 0.194 nan 8.370 nan 0.000 0.520 329 L N 1.516 122.708 121.223 -0.052 0.000 2.452 329 L HA 0.117 4.458 4.340 0.002 0.000 0.267 329 L C 0.861 177.706 176.870 -0.041 0.000 1.188 329 L CA -0.216 54.593 54.840 -0.052 0.000 0.821 329 L CB 0.722 42.758 42.059 -0.039 0.000 1.102 329 L HN -0.188 nan 8.230 nan 0.000 0.470 330 D N 2.225 122.600 120.400 -0.043 0.000 2.339 330 D HA 0.186 4.827 4.640 0.002 0.000 0.245 330 D C -2.035 174.257 176.300 -0.014 0.000 1.115 330 D CA -0.818 53.164 54.000 -0.029 0.000 0.917 330 D CB 0.519 41.300 40.800 -0.032 0.000 1.192 330 D HN 0.341 nan 8.370 nan 0.000 0.428 331 P HA 0.119 nan 4.420 nan 0.000 0.268 331 P C 0.033 177.335 177.300 0.004 0.000 1.205 331 P CA -0.008 63.093 63.100 0.001 0.000 0.771 331 P CB 0.745 32.443 31.700 -0.003 0.000 0.858 332 I N 1.395 121.973 120.570 0.013 0.000 2.634 332 I HA 0.163 4.335 4.170 0.002 0.000 0.284 332 I C 1.680 177.799 176.117 0.003 0.000 1.124 332 I CA -0.079 61.230 61.300 0.014 0.000 1.417 332 I CB 0.437 38.453 38.000 0.027 0.000 1.396 332 I HN 0.426 nan 8.210 nan 0.000 0.571 333 G N 5.248 114.047 108.800 -0.001 0.000 2.525 333 G HA2 0.374 4.335 3.960 0.002 0.000 0.276 333 G HA3 0.374 4.335 3.960 0.002 0.000 0.276 333 G C -0.541 174.345 174.900 -0.023 0.000 1.388 333 G CA -0.477 44.616 45.100 -0.012 0.000 1.050 333 G HN 0.619 nan 8.290 nan 0.000 0.520 334 K N -1.031 119.348 120.400 -0.036 0.000 2.501 334 K HA 0.587 4.909 4.320 0.002 0.000 0.252 334 K C -1.224 175.342 176.600 -0.057 0.000 0.934 334 K CA -0.593 55.657 56.287 -0.062 0.000 0.797 334 K CB 2.490 34.933 32.500 -0.095 0.000 1.270 334 K HN 0.625 nan 8.250 nan 0.000 0.431 335 A N 1.686 124.471 122.820 -0.057 0.000 2.353 335 A HA 0.462 4.783 4.320 0.002 0.000 0.299 335 A C -0.776 176.776 177.584 -0.054 0.000 1.089 335 A CA -0.540 51.469 52.037 -0.047 0.000 0.736 335 A CB 1.718 20.702 19.000 -0.026 0.000 1.195 335 A HN 0.500 nan 8.150 nan 0.000 0.447 336 T N 2.071 116.593 114.554 -0.054 0.000 2.875 336 T HA 0.574 4.925 4.350 0.002 0.000 0.284 336 T C 0.388 175.037 174.700 -0.085 0.000 0.995 336 T CA -0.267 61.817 62.100 -0.026 0.000 1.060 336 T CB 0.220 69.120 68.868 0.053 0.000 0.967 336 T HN 0.506 nan 8.240 nan 0.000 0.476 337 L N 4.504 125.625 121.223 -0.170 0.000 3.016 337 L HA 0.346 4.687 4.340 0.002 0.000 0.267 337 L C -0.126 176.464 176.870 -0.467 0.000 1.182 337 L CA -0.315 54.278 54.840 -0.412 0.000 0.997 337 L CB 0.971 42.580 42.059 -0.750 0.000 1.354 337 L HN 0.495 nan 8.230 nan 0.000 0.569 338 V N -3.197 116.598 119.914 -0.198 0.000 3.001 338 V HA 0.638 4.759 4.120 0.002 0.000 0.314 338 V C -0.764 175.304 176.094 -0.044 0.000 1.099 338 V CA -0.781 61.462 62.300 -0.095 0.000 0.989 338 V CB 2.413 34.242 31.823 0.011 0.000 1.040 338 V HN 0.071 nan 8.190 nan 0.000 0.434 339 K N 1.105 121.487 120.400 -0.030 0.000 2.525 339 K HA 0.533 4.854 4.320 0.002 0.000 0.254 339 K C -0.692 175.889 176.600 -0.032 0.000 0.934 339 K CA -0.534 55.733 56.287 -0.032 0.000 0.802 339 K CB 2.356 34.844 32.500 -0.021 0.000 1.295 339 K HN 0.825 nan 8.250 nan 0.000 0.433 340 S N 1.929 117.596 115.700 -0.054 0.000 2.555 340 S HA -0.008 4.463 4.470 0.002 0.000 0.293 340 S C -0.160 174.414 174.600 -0.043 0.000 1.248 340 S CA 0.132 58.297 58.200 -0.057 0.000 1.096 340 S CB -0.011 63.150 63.200 -0.066 0.000 0.881 340 S HN 0.402 nan 8.310 nan 0.000 0.498 341 T N 7.156 121.686 114.554 -0.040 0.000 2.817 341 T HA 0.167 4.518 4.350 0.002 0.000 0.295 341 T C -2.162 172.501 174.700 -0.063 0.000 0.958 341 T CA -0.869 61.218 62.100 -0.021 0.000 1.157 341 T CB 0.054 68.945 68.868 0.038 0.000 0.898 341 T HN 0.313 nan 8.240 nan 0.000 0.536 342 P HA 0.122 nan 4.420 nan 0.000 0.268 342 P C -0.589 176.663 177.300 -0.079 0.000 1.204 342 P CA -0.350 62.727 63.100 -0.039 0.000 0.768 342 P CB 0.396 32.091 31.700 -0.009 0.000 0.842 343 V N 4.840 124.658 119.914 -0.159 0.000 2.356 343 V HA 0.154 4.275 4.120 0.002 0.000 0.258 343 V C 0.156 176.148 176.094 -0.170 0.000 1.065 343 V CA 0.072 62.215 62.300 -0.260 0.000 0.935 343 V CB -0.634 30.817 31.823 -0.619 0.000 1.061 343 V HN 0.537 nan 8.190 nan 0.000 0.484 344 N N 3.217 121.874 118.700 -0.072 0.000 2.524 344 N HA 0.446 5.187 4.740 0.002 0.000 0.261 344 N C -0.480 175.014 175.510 -0.027 0.000 0.998 344 N CA -0.592 52.437 53.050 -0.034 0.000 0.915 344 N CB 2.353 40.834 38.487 -0.010 0.000 1.187 344 N HN 0.570 nan 8.380 nan 0.000 0.507 345 V N 1.423 121.317 119.914 -0.033 0.000 2.740 345 V HA 0.433 4.554 4.120 0.002 0.000 0.303 345 V C -2.096 173.959 176.094 -0.065 0.000 1.054 345 V CA -1.104 61.151 62.300 -0.075 0.000 1.106 345 V CB 0.127 31.861 31.823 -0.147 0.000 0.957 345 V HN 0.501 nan 8.190 nan 0.000 0.486 346 P HA 0.402 nan 4.420 nan 0.000 0.286 346 P C 0.499 177.748 177.300 -0.084 0.000 1.269 346 P CA -0.375 62.617 63.100 -0.181 0.000 0.787 346 P CB 0.903 32.551 31.700 -0.086 0.000 0.920 347 I N -0.621 119.902 120.570 -0.079 0.000 3.883 347 I HA 0.121 4.292 4.170 0.002 0.000 0.326 347 I C 0.455 176.535 176.117 -0.061 0.000 1.283 347 I CA -0.231 61.053 61.300 -0.027 0.000 1.161 347 I CB -0.088 37.938 38.000 0.044 0.000 1.012 347 I HN 0.165 nan 8.210 nan 0.000 0.421 348 S N 0.966 116.628 115.700 -0.063 0.000 2.646 348 S HA 0.405 4.876 4.470 0.002 0.000 0.276 348 S C 0.020 174.639 174.600 0.031 0.000 1.222 348 S CA -0.735 57.455 58.200 -0.016 0.000 1.014 348 S CB 1.379 64.601 63.200 0.037 0.000 0.991 348 S HN 0.181 nan 8.310 nan 0.000 0.533 349 Q N 1.091 120.910 119.800 0.031 0.000 2.288 349 Q HA 0.273 4.614 4.340 0.002 0.000 0.254 349 Q C -0.213 175.840 176.000 0.088 0.000 0.932 349 Q CA 0.118 55.947 55.803 0.044 0.000 0.902 349 Q CB 0.812 29.558 28.738 0.012 0.000 1.203 349 Q HN 0.879 nan 8.270 nan 0.000 0.415 350 K N 1.188 121.641 120.400 0.088 0.000 3.150 350 K HA -0.224 4.097 4.320 0.002 0.000 0.267 350 K C -0.370 176.308 176.600 0.129 0.000 1.028 350 K CA 0.135 56.472 56.287 0.085 0.000 0.753 350 K CB -1.451 31.079 32.500 0.049 0.000 1.288 350 K HN 0.433 nan 8.250 nan 0.000 0.473 351 F N 1.707 121.666 119.950 0.015 0.000 2.418 351 F HA 0.234 4.762 4.527 0.002 0.000 0.341 351 F C 0.783 176.597 175.800 0.023 0.000 1.120 351 F CA 0.522 58.536 58.000 0.022 0.000 1.232 351 F CB 0.878 39.891 39.000 0.022 0.000 1.175 351 F HN 0.147 nan 8.300 nan 0.000 0.569 352 T N 2.212 116.133 114.554 -1.055 0.000 3.143 352 T HA 0.197 4.549 4.350 0.002 0.000 0.312 352 T C -1.199 172.858 174.700 -1.072 0.000 0.986 352 T CA -1.008 60.616 62.100 -0.794 0.000 1.024 352 T CB 0.994 69.654 68.868 -0.347 0.000 1.030 352 T HN 0.531 nan 8.240 nan 0.000 0.448 353 D N 3.093 123.058 120.400 -0.725 0.000 2.342 353 D HA 0.166 4.807 4.640 0.002 0.000 0.260 353 D C 1.380 177.633 176.300 -0.078 0.000 1.278 353 D CA -0.683 53.150 54.000 -0.277 0.000 0.910 353 D CB 0.417 41.250 40.800 0.055 0.000 1.079 353 D HN 0.566 nan 8.370 nan 0.000 0.496 354 L N 3.032 124.270 121.223 0.027 0.000 2.089 354 L HA -0.218 4.124 4.340 0.002 0.000 0.213 354 L C 1.311 178.058 176.870 -0.204 0.000 1.079 354 L CA 1.204 56.009 54.840 -0.058 0.000 0.758 354 L CB -0.404 41.652 42.059 -0.005 0.000 0.891 354 L HN 0.483 nan 8.230 nan 0.000 0.433 355 F N -1.213 118.684 119.950 -0.089 0.000 2.750 355 F HA 0.119 4.647 4.527 0.002 0.000 0.297 355 F C 1.864 177.575 175.800 -0.149 0.000 1.138 355 F CA -0.321 57.570 58.000 -0.182 0.000 1.346 355 F CB -0.158 38.781 39.000 -0.102 0.000 0.965 355 F HN 0.024 nan 8.300 nan 0.000 0.514 356 E N 1.538 121.762 120.200 0.041 0.000 2.118 356 E HA -0.227 4.124 4.350 0.002 0.000 0.195 356 E C 1.749 178.363 176.600 0.023 0.000 0.992 356 E CA 1.519 57.940 56.400 0.035 0.000 0.804 356 E CB 0.173 29.878 29.700 0.008 0.000 0.741 356 E HN 0.440 nan 8.360 nan 0.000 0.458 357 K N 0.077 120.475 120.400 -0.004 0.000 2.155 357 K HA -0.044 4.277 4.320 0.002 0.000 0.203 357 K C 1.070 177.722 176.600 0.086 0.000 1.052 357 K CA 0.356 56.677 56.287 0.055 0.000 0.948 357 K CB -0.157 32.412 32.500 0.115 0.000 0.728 357 K HN 0.205 nan 8.250 nan 0.000 0.448 358 M N 1.917 121.477 119.600 -0.066 0.000 2.240 358 M HA -0.076 4.406 4.480 0.002 0.000 0.346 358 M C -0.679 175.679 176.300 0.097 0.000 1.236 358 M CA 0.324 55.609 55.300 -0.023 0.000 0.986 358 M CB 0.547 33.014 32.600 -0.221 0.000 1.786 358 M HN -0.220 nan 8.290 nan 0.000 0.457 359 V N 8.444 128.472 119.914 0.189 0.000 2.461 359 V HA 0.294 4.415 4.120 0.002 0.000 0.275 359 V C -2.005 174.135 176.094 0.078 0.000 1.047 359 V CA -1.565 60.819 62.300 0.140 0.000 0.955 359 V CB 0.842 32.770 31.823 0.174 0.000 0.988 359 V HN 0.775 nan 8.190 nan 0.000 0.471 360 P HA 0.007 nan 4.420 nan 0.000 0.261 360 P C 1.101 178.402 177.300 0.003 0.000 1.183 360 P CA 0.278 63.387 63.100 0.016 0.000 0.761 360 P CB 0.564 32.281 31.700 0.029 0.000 0.785 361 V N 3.214 123.113 119.914 -0.025 0.000 2.370 361 V HA -0.322 3.800 4.120 0.002 0.000 0.252 361 V C 2.361 178.437 176.094 -0.029 0.000 1.068 361 V CA 2.739 65.026 62.300 -0.022 0.000 1.061 361 V CB -1.306 30.486 31.823 -0.052 0.000 0.656 361 V HN 0.726 nan 8.190 nan 0.000 0.455 362 S N -0.626 115.055 115.700 -0.032 0.000 2.399 362 S HA -0.157 4.314 4.470 0.002 0.000 0.231 362 S C 1.873 176.398 174.600 -0.125 0.000 1.022 362 S CA 1.760 59.926 58.200 -0.057 0.000 0.983 362 S CB -0.413 62.768 63.200 -0.031 0.000 0.803 362 S HN 0.347 nan 8.310 nan 0.000 0.480 363 V N 1.964 121.820 119.914 -0.098 0.000 2.488 363 V HA -0.098 4.024 4.120 0.002 0.000 0.246 363 V C 2.837 178.822 176.094 -0.181 0.000 1.046 363 V CA 1.785 63.992 62.300 -0.156 0.000 1.053 363 V CB -0.776 31.058 31.823 0.018 0.000 0.679 363 V HN 0.564 nan 8.190 nan 0.000 0.458 364 Q N -0.434 119.320 119.800 -0.078 0.000 2.119 364 Q HA -0.222 4.120 4.340 0.002 0.000 0.201 364 Q C 2.261 178.211 176.000 -0.084 0.000 0.972 364 Q CA 1.331 57.103 55.803 -0.052 0.000 0.847 364 Q CB -0.191 28.537 28.738 -0.018 0.000 0.903 364 Q HN 0.679 nan 8.270 nan 0.000 0.433 365 Q N 0.003 119.742 119.800 -0.100 0.000 2.226 365 Q HA -0.094 4.247 4.340 0.002 0.000 0.204 365 Q C 1.946 177.850 176.000 -0.161 0.000 0.975 365 Q CA 1.261 57.005 55.803 -0.097 0.000 0.866 365 Q CB 0.126 28.819 28.738 -0.075 0.000 0.915 365 Q HN 0.219 nan 8.270 nan 0.000 0.440 366 S N 0.406 115.901 115.700 -0.342 0.000 2.439 366 S HA 0.055 4.526 4.470 0.002 0.000 0.224 366 S C 1.855 176.211 174.600 -0.408 0.000 1.029 366 S CA 0.234 58.073 58.200 -0.602 0.000 0.946 366 S CB 0.099 62.460 63.200 -1.399 0.000 0.797 366 S HN 0.237 nan 8.310 nan 0.000 0.504 367 L N 1.319 122.407 121.223 -0.226 0.000 2.027 367 L HA -0.084 4.257 4.340 0.002 0.000 0.206 367 L C 2.791 179.775 176.870 0.190 0.000 1.074 367 L CA 1.226 56.173 54.840 0.178 0.000 0.745 367 L CB -0.601 41.556 42.059 0.162 0.000 0.898 367 L HN 0.334 nan 8.230 nan 0.000 0.433 368 A N -0.082 122.779 122.820 0.069 0.000 1.877 368 A HA -0.217 4.104 4.320 0.002 0.000 0.216 368 A C 2.508 180.136 177.584 0.073 0.000 1.186 368 A CA 1.813 53.886 52.037 0.059 0.000 0.620 368 A CB -0.844 18.161 19.000 0.009 0.000 0.822 368 A HN 0.422 nan 8.150 nan 0.000 0.443 369 A N -1.280 121.574 122.820 0.056 0.000 1.892 369 A HA -0.202 4.119 4.320 0.002 0.000 0.218 369 A C 2.171 179.827 177.584 0.120 0.000 1.188 369 A CA 1.890 53.963 52.037 0.061 0.000 0.631 369 A CB -1.000 18.021 19.000 0.035 0.000 0.822 369 A HN 0.856 nan 8.150 nan 0.000 0.447 370 Y N 1.518 121.880 120.300 0.103 0.000 2.165 370 Y HA -0.254 4.298 4.550 0.002 0.000 0.286 370 Y C 2.144 178.100 175.900 0.093 0.000 1.155 370 Y CA 2.205 60.397 58.100 0.153 0.000 1.164 370 Y CB -0.243 38.396 38.460 0.299 0.000 0.978 370 Y HN 0.350 nan 8.280 nan 0.000 0.513 371 N N 0.355 119.110 118.700 0.091 0.000 2.188 371 N HA -0.203 4.538 4.740 0.002 0.000 0.184 371 N C 1.840 177.292 175.510 -0.096 0.000 1.018 371 N CA 1.454 54.486 53.050 -0.030 0.000 0.858 371 N CB -0.595 37.947 38.487 0.092 0.000 0.989 371 N HN 0.596 nan 8.380 nan 0.000 0.426 372 Q N 0.931 120.700 119.800 -0.053 0.000 2.226 372 Q HA -0.042 4.300 4.340 0.002 0.000 0.204 372 Q C 1.606 177.542 176.000 -0.106 0.000 0.975 372 Q CA 1.032 56.797 55.803 -0.063 0.000 0.866 372 Q CB 0.178 28.896 28.738 -0.034 0.000 0.915 372 Q HN 0.332 nan 8.270 nan 0.000 0.440 373 R N -0.217 120.193 120.500 -0.150 0.000 2.100 373 R HA -0.025 4.317 4.340 0.002 0.000 0.220 373 R C 2.282 178.405 176.300 -0.295 0.000 1.091 373 R CA 1.093 57.080 56.100 -0.190 0.000 0.986 373 R CB -0.063 30.140 30.300 -0.163 0.000 0.888 373 R HN 0.100 nan 8.270 nan 0.000 0.444 374 K N 1.150 121.294 120.400 -0.427 0.000 2.062 374 K HA -0.047 4.274 4.320 0.002 0.000 0.205 374 K C 2.088 178.488 176.600 -0.333 0.000 1.051 374 K CA 1.204 57.200 56.287 -0.485 0.000 0.941 374 K CB -0.073 32.113 32.500 -0.523 0.000 0.719 374 K HN 0.101 nan 8.250 nan 0.000 0.440 375 A N 1.927 124.618 122.820 -0.213 0.000 1.859 375 A HA -0.246 4.075 4.320 0.002 0.000 0.217 375 A C 1.716 179.214 177.584 -0.142 0.000 1.198 375 A CA 2.289 54.240 52.037 -0.143 0.000 0.629 375 A CB -0.974 17.971 19.000 -0.093 0.000 0.830 375 A HN 0.458 nan 8.150 nan 0.000 0.446 376 D N -0.434 119.885 120.400 -0.136 0.000 2.116 376 D HA -0.172 4.469 4.640 0.002 0.000 0.193 376 D C 1.880 178.103 176.300 -0.129 0.000 0.998 376 D CA 1.361 55.293 54.000 -0.113 0.000 0.836 376 D CB -0.453 40.288 40.800 -0.097 0.000 0.951 376 D HN 0.446 nan 8.370 nan 0.000 0.449 377 L N 0.041 121.155 121.223 -0.182 0.000 2.046 377 L HA -0.176 4.166 4.340 0.002 0.000 0.208 377 L C 2.131 178.891 176.870 -0.183 0.000 1.077 377 L CA 1.099 55.823 54.840 -0.194 0.000 0.747 377 L CB -0.028 41.856 42.059 -0.291 0.000 0.896 377 L HN -0.072 nan 8.230 nan 0.000 0.432 378 V N 0.262 120.042 119.914 -0.222 0.000 2.302 378 V HA -0.209 3.913 4.120 0.002 0.000 0.243 378 V C 2.295 178.338 176.094 -0.085 0.000 1.036 378 V CA 1.770 63.976 62.300 -0.157 0.000 1.020 378 V CB -0.776 30.948 31.823 -0.164 0.000 0.657 378 V HN 0.494 nan 8.190 nan 0.000 0.453 379 N N 0.549 119.199 118.700 -0.083 0.000 2.036 379 N HA -0.233 4.508 4.740 0.002 0.000 0.195 379 N C 1.921 177.400 175.510 -0.052 0.000 1.037 379 N CA 1.987 55.002 53.050 -0.058 0.000 0.855 379 N CB -0.572 37.881 38.487 -0.057 0.000 1.033 379 N HN 0.455 nan 8.380 nan 0.000 0.423 380 R N 0.830 121.294 120.500 -0.060 0.000 2.097 380 R HA -0.075 4.266 4.340 0.002 0.000 0.236 380 R C 2.175 178.453 176.300 -0.037 0.000 1.135 380 R CA 2.018 58.089 56.100 -0.048 0.000 0.934 380 R CB -0.299 29.971 30.300 -0.051 0.000 0.846 380 R HN 0.084 nan 8.270 nan 0.000 0.431 381 S N 0.412 116.089 115.700 -0.038 0.000 2.382 381 S HA -0.110 4.361 4.470 0.002 0.000 0.228 381 S C 1.903 176.495 174.600 -0.014 0.000 1.027 381 S CA 1.428 59.616 58.200 -0.021 0.000 0.991 381 S CB -0.211 62.980 63.200 -0.014 0.000 0.823 381 S HN 0.314 nan 8.310 nan 0.000 0.469 382 I N 1.458 122.018 120.570 -0.017 0.000 2.142 382 I HA -0.227 3.944 4.170 0.002 0.000 0.240 382 I C 2.740 178.848 176.117 -0.014 0.000 1.078 382 I CA 1.163 62.456 61.300 -0.011 0.000 1.343 382 I CB -0.572 37.422 38.000 -0.011 0.000 1.046 382 I HN 0.278 nan 8.210 nan 0.000 0.405 383 A N 0.110 122.918 122.820 -0.020 0.000 1.883 383 A HA -0.290 4.031 4.320 0.002 0.000 0.217 383 A C 2.228 179.802 177.584 -0.017 0.000 1.186 383 A CA 1.699 53.724 52.037 -0.021 0.000 0.624 383 A CB -0.765 18.219 19.000 -0.027 0.000 0.822 383 A HN 0.486 nan 8.150 nan 0.000 0.444 384 Q N -1.241 118.549 119.800 -0.016 0.000 2.152 384 Q HA -0.216 4.126 4.340 0.002 0.000 0.206 384 Q C 2.218 178.213 176.000 -0.008 0.000 0.985 384 Q CA 1.928 57.724 55.803 -0.013 0.000 0.863 384 Q CB -0.268 28.463 28.738 -0.012 0.000 0.904 384 Q HN 0.742 nan 8.270 nan 0.000 0.422 385 M N -0.646 118.951 119.600 -0.006 0.000 2.193 385 M HA -0.113 4.368 4.480 0.002 0.000 0.265 385 M C 2.104 178.402 176.300 -0.002 0.000 1.071 385 M CA 1.273 56.572 55.300 -0.002 0.000 1.140 385 M CB -0.077 32.524 32.600 0.002 0.000 1.369 385 M HN 0.094 nan 8.290 nan 0.000 0.423 386 R N 0.333 120.829 120.500 -0.006 0.000 2.062 386 R HA -0.134 4.207 4.340 0.002 0.000 0.231 386 R C 1.988 178.282 176.300 -0.010 0.000 1.136 386 R CA 1.524 57.619 56.100 -0.008 0.000 0.948 386 R CB -0.365 29.927 30.300 -0.013 0.000 0.845 386 R HN 0.415 nan 8.270 nan 0.000 0.430 387 E N 0.481 120.674 120.200 -0.012 0.000 2.118 387 E HA -0.217 4.135 4.350 0.002 0.000 0.195 387 E C 1.990 178.586 176.600 -0.008 0.000 0.992 387 E CA 1.352 57.745 56.400 -0.012 0.000 0.804 387 E CB -0.122 29.570 29.700 -0.013 0.000 0.741 387 E HN 0.392 nan 8.360 nan 0.000 0.458 388 A N 0.456 123.273 122.820 -0.006 0.000 1.898 388 A HA -0.168 4.153 4.320 0.002 0.000 0.216 388 A C 2.353 179.937 177.584 -0.001 0.000 1.181 388 A CA 1.788 53.823 52.037 -0.003 0.000 0.620 388 A CB -0.725 18.274 19.000 -0.002 0.000 0.819 388 A HN 0.175 nan 8.150 nan 0.000 0.442 389 T N -0.279 114.275 114.554 0.000 0.000 2.777 389 T HA -0.097 4.254 4.350 0.002 0.000 0.266 389 T C 2.045 176.747 174.700 0.004 0.000 1.040 389 T CA 1.888 63.991 62.100 0.005 0.000 1.141 389 T CB -0.481 68.392 68.868 0.009 0.000 0.868 389 T HN 0.565 nan 8.240 nan 0.000 0.444 390 T N 2.499 117.052 114.554 -0.002 0.000 2.684 390 T HA -0.081 4.270 4.350 0.002 0.000 0.267 390 T C 1.902 176.599 174.700 -0.005 0.000 1.036 390 T CA 1.037 63.134 62.100 -0.006 0.000 1.148 390 T CB -0.526 68.334 68.868 -0.013 0.000 0.863 390 T HN 0.132 nan 8.240 nan 0.000 0.436 391 L N 1.068 122.288 121.223 -0.005 0.000 2.012 391 L HA -0.024 4.317 4.340 0.002 0.000 0.210 391 L C 2.609 179.476 176.870 -0.005 0.000 1.073 391 L CA 1.946 56.783 54.840 -0.005 0.000 0.748 391 L CB -0.718 41.338 42.059 -0.005 0.000 0.891 391 L HN 0.243 nan 8.230 nan 0.000 0.431 392 A N -0.830 121.989 122.820 -0.003 0.000 1.968 392 A HA -0.155 4.166 4.320 0.002 0.000 0.217 392 A C 2.031 179.614 177.584 -0.002 0.000 1.169 392 A CA 1.528 53.563 52.037 -0.004 0.000 0.638 392 A CB -0.680 18.319 19.000 -0.002 0.000 0.812 392 A HN 0.574 nan 8.150 nan 0.000 0.446 393 N N 0.478 119.181 118.700 0.006 0.000 2.120 393 N HA -0.105 4.636 4.740 0.002 0.000 0.188 393 N C 1.824 177.338 175.510 0.006 0.000 1.024 393 N CA 1.477 54.536 53.050 0.016 0.000 0.852 393 N CB -0.782 37.724 38.487 0.033 0.000 1.003 393 N HN 0.462 nan 8.380 nan 0.000 0.424 394 G N 0.593 109.392 108.800 -0.001 0.000 2.422 394 G HA2 -0.151 3.811 3.960 0.002 0.000 0.218 394 G HA3 -0.151 3.811 3.960 0.002 0.000 0.218 394 G C 1.687 176.579 174.900 -0.013 0.000 1.146 394 G CA 0.706 45.803 45.100 -0.006 0.000 0.769 394 G HN 0.195 nan 8.290 nan 0.000 0.547 395 V N 0.986 120.890 119.914 -0.017 0.000 2.307 395 V HA -0.074 4.047 4.120 0.002 0.000 0.245 395 V C 2.880 178.944 176.094 -0.050 0.000 1.045 395 V CA 1.256 63.537 62.300 -0.031 0.000 1.024 395 V CB -0.444 31.363 31.823 -0.027 0.000 0.651 395 V HN 0.331 nan 8.190 nan 0.000 0.449 396 L N 0.144 121.343 121.223 -0.041 0.000 2.131 396 L HA -0.158 4.183 4.340 0.002 0.000 0.210 396 L C 2.696 179.534 176.870 -0.054 0.000 1.092 396 L CA 1.477 56.284 54.840 -0.054 0.000 0.759 396 L CB -0.802 41.237 42.059 -0.035 0.000 0.903 396 L HN 0.379 nan 8.230 nan 0.000 0.435 397 A N 0.326 123.129 122.820 -0.029 0.000 1.872 397 A HA -0.194 4.127 4.320 0.002 0.000 0.214 397 A C 2.510 180.077 177.584 -0.028 0.000 1.187 397 A CA 1.682 53.709 52.037 -0.016 0.000 0.614 397 A CB -0.750 18.252 19.000 0.003 0.000 0.826 397 A HN 0.485 nan 8.150 nan 0.000 0.442 398 S N -0.257 115.422 115.700 -0.035 0.000 2.465 398 S HA -0.048 4.423 4.470 0.002 0.000 0.241 398 S C 1.350 175.904 174.600 -0.077 0.000 1.000 398 S CA 1.510 59.687 58.200 -0.037 0.000 0.964 398 S CB -0.493 62.688 63.200 -0.032 0.000 0.763 398 S HN 0.434 nan 8.310 nan 0.000 0.512 399 L N 0.559 121.701 121.223 -0.136 0.000 2.693 399 L HA 0.334 4.675 4.340 0.002 0.000 0.235 399 L C 0.698 177.474 176.870 -0.157 0.000 1.127 399 L CA -0.005 54.660 54.840 -0.291 0.000 0.914 399 L CB -0.602 41.160 42.059 -0.494 0.000 1.193 399 L HN 0.292 nan 8.230 nan 0.000 0.502 400 N N 1.360 120.026 118.700 -0.056 0.000 2.740 400 N HA -0.203 4.539 4.740 0.002 0.000 0.248 400 N C -0.889 174.613 175.510 -0.013 0.000 1.062 400 N CA 0.682 53.731 53.050 -0.002 0.000 0.704 400 N CB -1.200 37.321 38.487 0.058 0.000 0.968 400 N HN 0.301 nan 8.380 nan 0.000 0.547 401 L N 0.063 121.255 121.223 -0.052 0.000 2.346 401 L HA 0.538 4.879 4.340 0.002 0.000 0.274 401 L C -1.341 175.500 176.870 -0.049 0.000 1.007 401 L CA -1.665 53.140 54.840 -0.059 0.000 0.818 401 L CB 1.953 43.962 42.059 -0.084 0.000 1.284 401 L HN -0.070 nan 8.230 nan 0.000 0.424 402 P HA 0.081 nan 4.420 nan 0.000 0.261 402 P C 0.880 178.151 177.300 -0.049 0.000 1.352 402 P CA 0.087 63.150 63.100 -0.062 0.000 0.891 402 P CB 0.678 32.341 31.700 -0.061 0.000 1.383 403 A N 1.897 124.698 122.820 -0.031 0.000 1.884 403 A HA -0.213 4.109 4.320 0.002 0.000 0.219 403 A C 2.439 180.027 177.584 0.006 0.000 1.197 403 A CA 2.512 54.541 52.037 -0.013 0.000 0.637 403 A CB -1.585 17.414 19.000 -0.002 0.000 0.827 403 A HN 0.266 nan 8.150 nan 0.000 0.450 404 A N -0.533 122.303 122.820 0.027 0.000 1.986 404 A HA -0.121 4.201 4.320 0.002 0.000 0.220 404 A C 1.880 179.500 177.584 0.060 0.000 1.171 404 A CA 1.804 53.895 52.037 0.089 0.000 0.640 404 A CB -0.505 18.606 19.000 0.185 0.000 0.811 404 A HN 0.493 nan 8.150 nan 0.000 0.451 405 I N -0.744 119.796 120.570 -0.051 0.000 3.226 405 I HA -0.037 4.134 4.170 0.002 0.000 0.277 405 I C 1.514 177.619 176.117 -0.019 0.000 1.243 405 I CA 0.850 62.102 61.300 -0.081 0.000 1.459 405 I CB -1.151 36.743 38.000 -0.176 0.000 1.093 405 I HN 0.441 nan 8.210 nan 0.000 0.453 406 E N 0.341 120.534 120.200 -0.012 0.000 2.472 406 E HA -0.067 4.285 4.350 0.002 0.000 0.196 406 E C 0.197 176.803 176.600 0.010 0.000 1.033 406 E CA 0.001 56.397 56.400 -0.007 0.000 0.886 406 E CB 0.257 29.945 29.700 -0.019 0.000 0.944 406 E HN 0.147 nan 8.360 nan 0.000 0.492 407 D N 1.187 121.604 120.400 0.028 0.000 2.741 407 D HA -0.017 4.625 4.640 0.002 0.000 0.233 407 D C 1.217 177.543 176.300 0.043 0.000 1.160 407 D CA -0.185 53.836 54.000 0.034 0.000 1.003 407 D CB 0.652 41.478 40.800 0.043 0.000 1.064 407 D HN 0.011 nan 8.370 nan 0.000 0.503 408 V N 0.496 120.430 119.914 0.033 0.000 2.453 408 V HA 0.019 4.141 4.120 0.002 0.000 0.247 408 V C 0.806 176.916 176.094 0.026 0.000 1.048 408 V CA 1.265 63.586 62.300 0.035 0.000 1.049 408 V CB -0.650 31.189 31.823 0.026 0.000 0.672 408 V HN 0.399 nan 8.190 nan 0.000 0.457 409 S N 0.037 115.749 115.700 0.019 0.000 2.456 409 S HA 0.684 5.155 4.470 0.002 0.000 0.316 409 S C 0.715 175.324 174.600 0.015 0.000 1.089 409 S CA 0.099 58.308 58.200 0.015 0.000 1.101 409 S CB 1.095 64.301 63.200 0.010 0.000 0.995 409 S HN 0.732 nan 8.310 nan 0.000 0.468 410 G N 1.458 110.267 108.800 0.015 0.000 3.262 410 G HA2 0.108 4.069 3.960 0.002 0.000 0.222 410 G HA3 0.108 4.069 3.960 0.002 0.000 0.222 410 G C 0.023 174.929 174.900 0.011 0.000 1.269 410 G CA -0.149 44.960 45.100 0.016 0.000 1.032 410 G HN 0.719 nan 8.290 nan 0.000 0.502 411 D N -0.442 119.963 120.400 0.008 0.000 2.388 411 D HA 0.112 4.753 4.640 0.002 0.000 0.208 411 D C 1.566 177.868 176.300 0.004 0.000 1.035 411 D CA 0.887 54.891 54.000 0.006 0.000 0.875 411 D CB 0.665 41.468 40.800 0.004 0.000 0.984 411 D HN 0.393 nan 8.370 nan 0.000 0.508 412 T N -2.735 111.821 114.554 0.004 0.000 2.901 412 T HA 0.532 4.883 4.350 0.002 0.000 0.293 412 T C -0.163 174.536 174.700 -0.001 0.000 1.084 412 T CA -0.937 61.163 62.100 0.000 0.000 1.008 412 T CB 1.804 70.671 68.868 -0.001 0.000 1.170 412 T HN -0.279 nan 8.240 nan 0.000 0.509 413 V N 3.209 123.119 119.914 -0.006 0.000 2.450 413 V HA 0.232 4.353 4.120 0.002 0.000 0.281 413 V C -1.984 174.102 176.094 -0.014 0.000 1.019 413 V CA -1.006 61.288 62.300 -0.010 0.000 1.062 413 V CB -0.217 31.596 31.823 -0.016 0.000 0.979 413 V HN 0.766 nan 8.190 nan 0.000 0.477 414 P HA 0.056 nan 4.420 nan 0.000 0.267 414 P C 0.591 177.872 177.300 -0.031 0.000 1.200 414 P CA -0.094 62.996 63.100 -0.017 0.000 0.772 414 P CB 0.602 32.294 31.700 -0.013 0.000 0.855 415 Q N 2.806 122.587 119.800 -0.032 0.000 2.096 415 Q HA -0.208 4.133 4.340 0.002 0.000 0.204 415 Q C 1.855 177.819 176.000 -0.061 0.000 0.982 415 Q CA 2.599 58.377 55.803 -0.041 0.000 0.850 415 Q CB -0.956 27.761 28.738 -0.034 0.000 0.901 415 Q HN 0.551 nan 8.270 nan 0.000 0.422 416 S N -1.046 114.614 115.700 -0.068 0.000 2.399 416 S HA -0.129 4.342 4.470 0.002 0.000 0.231 416 S C 1.911 176.432 174.600 -0.132 0.000 1.022 416 S CA 1.187 59.327 58.200 -0.099 0.000 0.983 416 S CB -0.449 62.697 63.200 -0.089 0.000 0.803 416 S HN 0.400 nan 8.310 nan 0.000 0.480 417 I N 0.757 121.269 120.570 -0.096 0.000 2.353 417 I HA -0.015 4.157 4.170 0.002 0.000 0.248 417 I C 2.321 178.378 176.117 -0.099 0.000 1.119 417 I CA 0.560 61.802 61.300 -0.097 0.000 1.417 417 I CB -0.317 37.651 38.000 -0.053 0.000 1.078 417 I HN 0.252 nan 8.210 nan 0.000 0.421 418 L N 0.002 121.179 121.223 -0.078 0.000 2.056 418 L HA -0.165 4.176 4.340 0.002 0.000 0.207 418 L C 2.475 179.294 176.870 -0.084 0.000 1.078 418 L CA 2.042 56.842 54.840 -0.066 0.000 0.749 418 L CB -0.972 41.058 42.059 -0.047 0.000 0.901 418 L HN 0.190 nan 8.230 nan 0.000 0.433 419 T N -0.386 114.105 114.554 -0.104 0.000 2.708 419 T HA -0.204 4.147 4.350 0.002 0.000 0.266 419 T C 1.877 176.473 174.700 -0.173 0.000 1.037 419 T CA 1.750 63.780 62.100 -0.117 0.000 1.146 419 T CB -0.099 68.697 68.868 -0.119 0.000 0.865 419 T HN 0.336 nan 8.240 nan 0.000 0.435 420 K N 1.003 121.225 120.400 -0.297 0.000 2.057 420 K HA -0.076 4.245 4.320 0.002 0.000 0.207 420 K C 2.748 179.247 176.600 -0.169 0.000 1.049 420 K CA 1.410 57.394 56.287 -0.506 0.000 0.931 420 K CB -0.360 31.642 32.500 -0.832 0.000 0.714 420 K HN 0.214 nan 8.250 nan 0.000 0.440 421 S N 1.099 116.732 115.700 -0.112 0.000 2.353 421 S HA -0.181 4.290 4.470 0.002 0.000 0.222 421 S C 2.021 176.585 174.600 -0.060 0.000 1.035 421 S CA 1.304 59.466 58.200 -0.063 0.000 1.025 421 S CB -0.071 63.096 63.200 -0.054 0.000 0.902 421 S HN 0.233 nan 8.310 nan 0.000 0.440 422 R N 0.440 120.907 120.500 -0.055 0.000 2.092 422 R HA -0.025 4.316 4.340 0.002 0.000 0.231 422 R C 2.844 179.131 176.300 -0.022 0.000 1.119 422 R CA 1.320 57.398 56.100 -0.037 0.000 0.970 422 R CB -0.678 29.603 30.300 -0.033 0.000 0.864 422 R HN 0.549 nan 8.270 nan 0.000 0.440 423 S N 0.490 116.185 115.700 -0.007 0.000 2.353 423 S HA -0.133 4.338 4.470 0.002 0.000 0.222 423 S C 2.054 176.679 174.600 0.041 0.000 1.035 423 S CA 1.645 59.878 58.200 0.054 0.000 1.025 423 S CB -0.196 63.080 63.200 0.127 0.000 0.902 423 S HN 0.121 nan 8.310 nan 0.000 0.440 424 V N 2.089 121.985 119.914 -0.031 0.000 2.295 424 V HA -0.145 3.977 4.120 0.002 0.000 0.246 424 V C 2.388 178.335 176.094 -0.246 0.000 1.049 424 V CA 2.011 64.108 62.300 -0.338 0.000 1.024 424 V CB -0.768 30.685 31.823 -0.617 0.000 0.648 424 V HN 0.521 nan 8.190 nan 0.000 0.447 425 I N 0.105 120.594 120.570 -0.136 0.000 2.208 425 I HA -0.251 3.920 4.170 0.002 0.000 0.245 425 I C 2.742 178.845 176.117 -0.023 0.000 1.097 425 I CA 1.907 63.164 61.300 -0.071 0.000 1.363 425 I CB -0.411 37.562 38.000 -0.045 0.000 1.051 425 I HN 0.416 nan 8.210 nan 0.000 0.413 426 E N 1.242 121.438 120.200 -0.007 0.000 2.106 426 E HA -0.254 4.097 4.350 0.002 0.000 0.192 426 E C 1.798 178.426 176.600 0.047 0.000 0.984 426 E CA 1.293 57.705 56.400 0.021 0.000 0.806 426 E CB -0.053 29.662 29.700 0.025 0.000 0.750 426 E HN 0.564 nan 8.360 nan 0.000 0.458 427 Q N -0.883 118.960 119.800 0.070 0.000 2.491 427 Q HA 0.040 4.381 4.340 0.002 0.000 0.214 427 Q C 0.820 176.916 176.000 0.160 0.000 0.970 427 Q CA 0.467 56.355 55.803 0.142 0.000 0.960 427 Q CB 0.131 29.027 28.738 0.265 0.000 0.996 427 Q HN 0.546 nan 8.270 nan 0.000 0.524 428 G N -1.182 107.676 108.800 0.096 0.000 2.213 428 G HA2 -0.228 3.734 3.960 0.002 0.000 0.226 428 G HA3 -0.228 3.734 3.960 0.002 0.000 0.226 428 G C 0.571 175.524 174.900 0.089 0.000 0.992 428 G CA -0.380 44.776 45.100 0.093 0.000 0.632 428 G HN 0.834 nan 8.290 nan 0.000 0.511 429 G N -0.437 108.398 108.800 0.058 0.000 2.562 429 G HA2 -0.021 3.941 3.960 0.002 0.000 0.250 429 G HA3 -0.021 3.941 3.960 0.002 0.000 0.250 429 G C 0.873 175.872 174.900 0.164 0.000 1.269 429 G CA 0.529 45.629 45.100 -0.000 0.000 0.919 429 G HN 1.370 nan 8.290 nan 0.000 0.574 430 I N 0.665 121.318 120.570 0.137 0.000 2.493 430 I HA -0.053 4.119 4.170 0.002 0.000 0.254 430 I C 2.760 178.997 176.117 0.200 0.000 1.160 430 I CA 2.585 64.015 61.300 0.217 0.000 1.445 430 I CB -0.413 37.677 38.000 0.151 0.000 1.086 430 I HN 0.723 nan 8.210 nan 0.000 0.433 431 Q N 0.212 120.095 119.800 0.139 0.000 2.112 431 Q HA -0.234 4.108 4.340 0.002 0.000 0.206 431 Q C 2.014 178.078 176.000 0.106 0.000 0.987 431 Q CA 2.994 58.861 55.803 0.107 0.000 0.858 431 Q CB -0.956 27.828 28.738 0.077 0.000 0.905 431 Q HN 0.520 nan 8.270 nan 0.000 0.420 432 T N 0.154 114.791 114.554 0.139 0.000 2.597 432 T HA -0.191 4.160 4.350 0.002 0.000 0.267 432 T C 1.818 176.548 174.700 0.050 0.000 1.053 432 T CA 2.126 64.292 62.100 0.110 0.000 1.165 432 T CB -0.709 68.269 68.868 0.183 0.000 0.863 432 T HN 0.186 nan 8.240 nan 0.000 0.427 433 V N 2.187 122.150 119.914 0.082 0.000 2.255 433 V HA -0.194 3.927 4.120 0.002 0.000 0.247 433 V C 2.430 178.488 176.094 -0.060 0.000 1.051 433 V CA 1.916 64.214 62.300 -0.003 0.000 1.018 433 V CB -0.733 31.169 31.823 0.131 0.000 0.641 433 V HN 0.404 nan 8.190 nan 0.000 0.445 434 D N -0.520 119.917 120.400 0.062 0.000 2.158 434 D HA -0.214 4.427 4.640 0.002 0.000 0.197 434 D C 2.203 178.483 176.300 -0.034 0.000 0.995 434 D CA 1.554 55.578 54.000 0.040 0.000 0.846 434 D CB -0.199 40.680 40.800 0.131 0.000 0.941 434 D HN 0.426 nan 8.370 nan 0.000 0.456 435 Q N 0.413 120.206 119.800 -0.013 0.000 2.016 435 Q HA -0.013 4.329 4.340 0.002 0.000 0.200 435 Q C 2.323 178.291 176.000 -0.053 0.000 0.978 435 Q CA 0.954 56.744 55.803 -0.021 0.000 0.833 435 Q CB -0.528 28.209 28.738 -0.001 0.000 0.895 435 Q HN 0.287 nan 8.270 nan 0.000 0.427 436 L N -0.170 121.011 121.223 -0.069 0.000 2.079 436 L HA -0.201 4.141 4.340 0.002 0.000 0.210 436 L C 2.259 179.059 176.870 -0.117 0.000 1.081 436 L CA 0.836 55.628 54.840 -0.080 0.000 0.752 436 L CB -0.457 41.549 42.059 -0.089 0.000 0.896 436 L HN 0.317 nan 8.230 nan 0.000 0.433 437 I N -0.346 120.101 120.570 -0.205 0.000 2.315 437 I HA -0.253 3.919 4.170 0.002 0.000 0.248 437 I C 2.614 178.642 176.117 -0.149 0.000 1.117 437 I CA 1.261 62.400 61.300 -0.268 0.000 1.404 437 I CB -0.686 36.954 38.000 -0.600 0.000 1.071 437 I HN 0.345 nan 8.210 nan 0.000 0.419 438 K N 1.500 121.836 120.400 -0.108 0.000 2.057 438 K HA -0.188 4.133 4.320 0.002 0.000 0.207 438 K C 1.678 178.243 176.600 -0.058 0.000 1.049 438 K CA 1.617 57.868 56.287 -0.059 0.000 0.931 438 K CB 0.062 32.542 32.500 -0.033 0.000 0.714 438 K HN 0.552 nan 8.250 nan 0.000 0.440 439 E N 0.159 120.323 120.200 -0.061 0.000 2.479 439 E HA -0.069 4.282 4.350 0.002 0.000 0.193 439 E C 1.871 178.417 176.600 -0.091 0.000 1.049 439 E CA -0.125 56.236 56.400 -0.066 0.000 0.870 439 E CB -0.047 29.622 29.700 -0.051 0.000 0.944 439 E HN 0.001 nan 8.360 nan 0.000 0.492 440 L N 2.186 123.362 121.223 -0.078 0.000 1.990 440 L HA -0.127 4.214 4.340 0.002 0.000 0.213 440 L C -0.640 176.115 176.870 -0.190 0.000 1.072 440 L CA 2.003 56.793 54.840 -0.084 0.000 0.755 440 L CB -1.076 40.977 42.059 -0.011 0.000 0.889 440 L HN 0.125 nan 8.230 nan 0.000 0.432 441 P HA -0.132 nan 4.420 nan 0.000 0.222 441 P C 1.131 178.337 177.300 -0.158 0.000 1.147 441 P CA 1.229 64.252 63.100 -0.128 0.000 0.790 441 P CB 0.009 31.669 31.700 -0.067 0.000 0.780 442 E N -0.806 119.303 120.200 -0.151 0.000 2.170 442 E HA -0.003 4.348 4.350 0.002 0.000 0.191 442 E C 1.879 178.366 176.600 -0.189 0.000 0.981 442 E CA 0.550 56.869 56.400 -0.135 0.000 0.830 442 E CB -0.444 29.200 29.700 -0.093 0.000 0.775 442 E HN 0.257 nan 8.360 nan 0.000 0.470 443 L N 0.622 121.676 121.223 -0.282 0.000 2.109 443 L HA -0.121 4.220 4.340 0.002 0.000 0.207 443 L C 2.466 178.998 176.870 -0.564 0.000 1.086 443 L CA 0.285 54.900 54.840 -0.374 0.000 0.760 443 L CB -0.327 41.497 42.059 -0.392 0.000 0.910 443 L HN 0.178 nan 8.230 nan 0.000 0.437 444 L N 0.256 121.015 121.223 -0.773 0.000 1.989 444 L HA -0.269 4.073 4.340 0.002 0.000 0.211 444 L C 2.605 179.351 176.870 -0.206 0.000 1.071 444 L CA 1.934 56.469 54.840 -0.509 0.000 0.749 444 L CB -0.692 41.174 42.059 -0.321 0.000 0.890 444 L HN 0.210 nan 8.230 nan 0.000 0.431 445 Q N 0.015 119.712 119.800 -0.170 0.000 2.096 445 Q HA -0.267 4.075 4.340 0.002 0.000 0.204 445 Q C 2.495 178.442 176.000 -0.088 0.000 0.982 445 Q CA 2.224 57.968 55.803 -0.098 0.000 0.850 445 Q CB -0.431 28.257 28.738 -0.084 0.000 0.901 445 Q HN 0.550 nan 8.270 nan 0.000 0.422 446 R N -0.440 119.994 120.500 -0.110 0.000 2.096 446 R HA -0.180 4.162 4.340 0.002 0.000 0.240 446 R C 1.743 177.996 176.300 -0.078 0.000 1.139 446 R CA 2.049 58.096 56.100 -0.087 0.000 0.952 446 R CB -0.287 29.957 30.300 -0.094 0.000 0.854 446 R HN 0.420 nan 8.270 nan 0.000 0.436 447 N N -0.332 118.316 118.700 -0.087 0.000 2.142 447 N HA -0.090 4.652 4.740 0.002 0.000 0.186 447 N C 1.782 177.259 175.510 -0.056 0.000 1.023 447 N CA 1.248 54.255 53.050 -0.071 0.000 0.852 447 N CB -0.041 38.425 38.487 -0.034 0.000 0.998 447 N HN 0.196 nan 8.380 nan 0.000 0.424 448 R N 0.996 121.476 120.500 -0.034 0.000 2.091 448 R HA -0.136 4.205 4.340 0.002 0.000 0.238 448 R C 1.769 178.056 176.300 -0.022 0.000 1.136 448 R CA 1.258 57.348 56.100 -0.016 0.000 0.959 448 R CB -0.268 30.027 30.300 -0.008 0.000 0.856 448 R HN 0.457 nan 8.270 nan 0.000 0.437 449 E N 0.475 120.656 120.200 -0.031 0.000 2.072 449 E HA -0.155 4.196 4.350 0.002 0.000 0.191 449 E C 2.070 178.655 176.600 -0.024 0.000 0.985 449 E CA 1.066 57.451 56.400 -0.025 0.000 0.801 449 E CB -0.085 29.597 29.700 -0.030 0.000 0.750 449 E HN 0.310 nan 8.360 nan 0.000 0.452 450 I N 0.768 121.316 120.570 -0.038 0.000 2.113 450 I HA -0.275 3.896 4.170 0.002 0.000 0.238 450 I C 2.488 178.596 176.117 -0.014 0.000 1.070 450 I CA 0.598 61.876 61.300 -0.036 0.000 1.332 450 I CB -0.299 37.663 38.000 -0.062 0.000 1.044 450 I HN 0.150 nan 8.210 nan 0.000 0.402 451 L N 1.040 122.240 121.223 -0.038 0.000 2.021 451 L HA -0.292 4.050 4.340 0.002 0.000 0.215 451 L C 1.960 178.860 176.870 0.051 0.000 1.074 451 L CA 2.087 56.924 54.840 -0.005 0.000 0.760 451 L CB -0.937 41.088 42.059 -0.056 0.000 0.889 451 L HN 0.219 nan 8.230 nan 0.000 0.433 452 D N -0.742 119.671 120.400 0.022 0.000 2.117 452 D HA -0.149 4.492 4.640 0.002 0.000 0.198 452 D C 2.162 178.474 176.300 0.019 0.000 0.982 452 D CA 1.045 55.060 54.000 0.025 0.000 0.828 452 D CB -0.027 40.780 40.800 0.011 0.000 0.967 452 D HN 0.382 nan 8.370 nan 0.000 0.464 453 E N 0.465 120.670 120.200 0.008 0.000 2.110 453 E HA -0.072 4.279 4.350 0.002 0.000 0.193 453 E C 2.219 178.811 176.600 -0.014 0.000 0.988 453 E CA 0.446 56.844 56.400 -0.003 0.000 0.804 453 E CB -0.242 29.453 29.700 -0.008 0.000 0.745 453 E HN 0.110 nan 8.360 nan 0.000 0.458 454 S N 1.043 116.744 115.700 0.003 0.000 2.359 454 S HA -0.116 4.356 4.470 0.002 0.000 0.224 454 S C 2.136 176.713 174.600 -0.040 0.000 1.035 454 S CA 0.943 59.123 58.200 -0.033 0.000 1.018 454 S CB -0.259 62.982 63.200 0.068 0.000 0.876 454 S HN 0.204 nan 8.310 nan 0.000 0.448 455 L N 0.639 121.893 121.223 0.050 0.000 2.156 455 L HA 0.011 4.353 4.340 0.002 0.000 0.208 455 L C 2.697 179.556 176.870 -0.017 0.000 1.095 455 L CA 0.848 55.709 54.840 0.036 0.000 0.770 455 L CB -0.365 41.746 42.059 0.087 0.000 0.914 455 L HN 0.211 nan 8.230 nan 0.000 0.439 456 R N 0.371 120.862 120.500 -0.015 0.000 2.096 456 R HA -0.134 4.207 4.340 0.002 0.000 0.235 456 R C 2.333 178.604 176.300 -0.049 0.000 1.127 456 R CA 1.129 57.217 56.100 -0.020 0.000 0.968 456 R CB -0.155 30.140 30.300 -0.009 0.000 0.861 456 R HN 0.313 nan 8.270 nan 0.000 0.440 457 L N 0.670 121.842 121.223 -0.086 0.000 1.971 457 L HA -0.286 4.055 4.340 0.002 0.000 0.215 457 L C 2.439 179.201 176.870 -0.180 0.000 1.072 457 L CA 1.616 56.372 54.840 -0.140 0.000 0.758 457 L CB -0.606 41.336 42.059 -0.195 0.000 0.889 457 L HN 0.293 nan 8.230 nan 0.000 0.433 458 L N -0.610 120.461 121.223 -0.255 0.000 2.013 458 L HA -0.277 4.064 4.340 0.002 0.000 0.212 458 L C 2.310 179.147 176.870 -0.054 0.000 1.073 458 L CA 1.385 56.009 54.840 -0.360 0.000 0.753 458 L CB -0.864 40.922 42.059 -0.456 0.000 0.890 458 L HN 0.326 nan 8.230 nan 0.000 0.432 459 D N -0.022 120.366 120.400 -0.020 0.000 2.117 459 D HA -0.167 4.475 4.640 0.002 0.000 0.197 459 D C 2.165 178.490 176.300 0.041 0.000 0.987 459 D CA 1.153 55.175 54.000 0.037 0.000 0.829 459 D CB -0.108 40.706 40.800 0.025 0.000 0.961 459 D HN 0.417 nan 8.370 nan 0.000 0.460 460 E N 0.435 120.642 120.200 0.011 0.000 2.028 460 E HA -0.163 4.189 4.350 0.002 0.000 0.191 460 E C 2.015 178.632 176.600 0.028 0.000 0.988 460 E CA 0.620 57.027 56.400 0.012 0.000 0.799 460 E CB 0.015 29.713 29.700 -0.004 0.000 0.755 460 E HN 0.190 nan 8.360 nan 0.000 0.447 461 E N 1.475 121.695 120.200 0.033 0.000 2.038 461 E HA -0.264 4.087 4.350 0.002 0.000 0.195 461 E C 1.983 178.657 176.600 0.124 0.000 1.000 461 E CA 1.362 57.806 56.400 0.072 0.000 0.803 461 E CB -0.059 29.691 29.700 0.083 0.000 0.750 461 E HN 0.277 nan 8.360 nan 0.000 0.448 462 E N 0.028 120.345 120.200 0.195 0.000 2.097 462 E HA -0.238 4.114 4.350 0.002 0.000 0.196 462 E C 1.966 178.613 176.600 0.079 0.000 1.000 462 E CA 1.558 58.048 56.400 0.151 0.000 0.804 462 E CB -0.223 29.595 29.700 0.197 0.000 0.740 462 E HN 0.275 nan 8.360 nan 0.000 0.454 463 A N 0.369 123.225 122.820 0.061 0.000 1.908 463 A HA -0.248 4.074 4.320 0.002 0.000 0.218 463 A C 2.492 180.079 177.584 0.005 0.000 1.181 463 A CA 2.715 54.769 52.037 0.029 0.000 0.627 463 A CB -1.335 17.677 19.000 0.021 0.000 0.818 463 A HN 0.584 nan 8.150 nan 0.000 0.445 464 T N -2.420 112.134 114.554 -0.001 0.000 2.857 464 T HA -0.131 4.220 4.350 0.002 0.000 0.266 464 T C 1.559 176.206 174.700 -0.088 0.000 1.048 464 T CA 1.602 63.672 62.100 -0.051 0.000 1.139 464 T CB -0.488 68.346 68.868 -0.056 0.000 0.874 464 T HN 0.456 nan 8.240 nan 0.000 0.455 465 D N 1.946 122.348 120.400 0.004 0.000 2.104 465 D HA -0.167 4.475 4.640 0.002 0.000 0.194 465 D C 2.087 178.423 176.300 0.060 0.000 0.994 465 D CA 1.351 55.409 54.000 0.096 0.000 0.830 465 D CB -0.412 40.499 40.800 0.185 0.000 0.959 465 D HN 0.266 nan 8.370 nan 0.000 0.452 466 N N 0.525 119.248 118.700 0.039 0.000 2.120 466 N HA -0.127 4.615 4.740 0.002 0.000 0.188 466 N C 1.297 176.801 175.510 -0.010 0.000 1.024 466 N CA 1.157 54.226 53.050 0.031 0.000 0.852 466 N CB -0.405 38.096 38.487 0.023 0.000 1.003 466 N HN 0.357 nan 8.380 nan 0.000 0.424 467 D N 0.930 121.301 120.400 -0.049 0.000 2.097 467 D HA -0.090 4.552 4.640 0.002 0.000 0.195 467 D C 2.186 178.419 176.300 -0.112 0.000 0.989 467 D CA 0.550 54.505 54.000 -0.075 0.000 0.827 467 D CB -0.282 40.472 40.800 -0.076 0.000 0.966 467 D HN 0.237 nan 8.370 nan 0.000 0.456 468 L N 0.292 121.380 121.223 -0.224 0.000 2.083 468 L HA -0.115 4.226 4.340 0.002 0.000 0.209 468 L C 2.652 179.474 176.870 -0.080 0.000 1.083 468 L CA 0.861 55.494 54.840 -0.345 0.000 0.752 468 L CB -0.223 41.074 42.059 -1.270 0.000 0.899 468 L HN -0.042 nan 8.230 nan 0.000 0.433 469 R N 0.157 120.684 120.500 0.045 0.000 2.090 469 R HA -0.118 4.223 4.340 0.002 0.000 0.228 469 R C 2.299 178.663 176.300 0.106 0.000 1.110 469 R CA 1.189 57.441 56.100 0.253 0.000 0.973 469 R CB -0.139 30.332 30.300 0.285 0.000 0.869 469 R HN 0.314 nan 8.270 nan 0.000 0.440 470 A N 0.900 123.731 122.820 0.019 0.000 1.930 470 A HA -0.094 4.227 4.320 0.002 0.000 0.217 470 A C 1.812 179.331 177.584 -0.108 0.000 1.175 470 A CA 1.180 53.198 52.037 -0.032 0.000 0.627 470 A CB -0.126 18.847 19.000 -0.045 0.000 0.815 470 A HN 0.166 nan 8.150 nan 0.000 0.443 471 K N -1.736 118.539 120.400 -0.210 0.000 2.284 471 K HA 0.168 4.489 4.320 0.002 0.000 0.198 471 K C -0.516 175.651 176.600 -0.723 0.000 1.048 471 K CA 0.507 56.483 56.287 -0.518 0.000 0.987 471 K CB 0.169 32.215 32.500 -0.756 0.000 0.800 471 K HN 0.527 nan 8.250 nan 0.000 0.486 472 F N 1.043 121.009 119.950 0.027 0.000 2.679 472 F HA 0.262 4.790 4.527 0.002 0.000 0.354 472 F C 1.273 177.148 175.800 0.125 0.000 1.423 472 F CA -0.679 57.366 58.000 0.075 0.000 1.141 472 F CB 0.761 39.818 39.000 0.094 0.000 1.168 472 F HN -0.201 nan 8.300 nan 0.000 0.530 473 K N 1.224 121.727 120.400 0.171 0.000 2.097 473 K HA -0.271 4.050 4.320 0.002 0.000 0.214 473 K C 1.526 178.218 176.600 0.153 0.000 1.052 473 K CA 2.452 58.827 56.287 0.145 0.000 0.932 473 K CB 0.068 32.612 32.500 0.074 0.000 0.716 473 K HN 0.519 nan 8.250 nan 0.000 0.455 474 E N -0.638 119.650 120.200 0.147 0.000 2.107 474 E HA -0.126 4.225 4.350 0.002 0.000 0.191 474 E C 2.221 178.900 176.600 0.132 0.000 0.982 474 E CA 1.004 57.473 56.400 0.115 0.000 0.809 474 E CB 0.034 29.791 29.700 0.096 0.000 0.756 474 E HN 0.281 nan 8.360 nan 0.000 0.459 475 R N -0.731 119.895 120.500 0.210 0.000 2.254 475 R HA 0.053 4.394 4.340 0.002 0.000 0.195 475 R C 0.441 176.896 176.300 0.258 0.000 0.957 475 R CA 0.233 56.446 56.100 0.190 0.000 1.024 475 R CB 0.410 30.807 30.300 0.162 0.000 0.952 475 R HN 0.166 nan 8.270 nan 0.000 0.484 476 W N 2.307 123.661 121.300 0.090 0.000 2.374 476 W HA 0.312 4.973 4.660 0.002 0.000 0.302 476 W C -1.285 175.260 176.519 0.044 0.000 0.942 476 W CA -0.366 57.018 57.345 0.065 0.000 1.666 476 W CB 0.739 30.268 29.460 0.114 0.000 1.593 476 W HN -0.002 nan 8.180 nan 0.000 0.412 477 Q N 4.724 124.432 119.800 -0.152 0.000 2.454 477 Q HA 0.420 4.762 4.340 0.002 0.000 0.255 477 Q C -0.625 175.222 176.000 -0.255 0.000 1.034 477 Q CA -0.296 55.430 55.803 -0.129 0.000 0.736 477 Q CB 2.386 31.091 28.738 -0.055 0.000 1.210 477 Q HN 0.350 nan 8.270 nan 0.000 0.500 478 R N -0.131 120.203 120.500 -0.277 0.000 2.799 478 R HA 0.371 4.712 4.340 0.002 0.000 0.270 478 R C -0.612 175.596 176.300 -0.152 0.000 1.010 478 R CA -0.750 55.186 56.100 -0.273 0.000 0.916 478 R CB 1.578 31.617 30.300 -0.436 0.000 1.228 478 R HN 0.501 nan 8.270 nan 0.000 0.469 479 T N 0.331 114.809 114.554 -0.126 0.000 2.871 479 T HA 0.149 4.501 4.350 0.002 0.000 0.296 479 T C -2.232 172.409 174.700 -0.098 0.000 0.998 479 T CA -1.175 60.870 62.100 -0.092 0.000 1.162 479 T CB 0.344 69.162 68.868 -0.085 0.000 0.947 479 T HN 0.160 nan 8.240 nan 0.000 0.536 480 P HA 0.161 nan 4.420 nan 0.000 0.265 480 P C 0.863 178.073 177.300 -0.151 0.000 1.193 480 P CA -0.172 62.896 63.100 -0.054 0.000 0.765 480 P CB 0.521 32.206 31.700 -0.025 0.000 0.823 481 S N 2.443 118.020 115.700 -0.205 0.000 2.380 481 S HA -0.236 4.235 4.470 0.002 0.000 0.229 481 S C 1.832 176.108 174.600 -0.540 0.000 1.043 481 S CA 1.479 59.342 58.200 -0.563 0.000 1.038 481 S CB -0.870 62.050 63.200 -0.466 0.000 0.872 481 S HN 0.654 nan 8.310 nan 0.000 0.456 482 N N 1.356 119.942 118.700 -0.190 0.000 2.069 482 N HA -0.233 4.509 4.740 0.002 0.000 0.196 482 N C 1.568 177.050 175.510 -0.046 0.000 1.024 482 N CA 1.957 54.977 53.050 -0.050 0.000 0.869 482 N CB -0.286 38.199 38.487 -0.002 0.000 1.035 482 N HN 0.568 nan 8.380 nan 0.000 0.434 483 E N -0.247 119.908 120.200 -0.075 0.000 2.047 483 E HA -0.146 4.205 4.350 0.002 0.000 0.191 483 E C 1.954 178.527 176.600 -0.046 0.000 0.987 483 E CA 0.693 57.066 56.400 -0.044 0.000 0.799 483 E CB -0.144 29.529 29.700 -0.045 0.000 0.752 483 E HN 0.181 nan 8.360 nan 0.000 0.449 484 L N 0.076 121.218 121.223 -0.135 0.000 2.191 484 L HA -0.170 4.171 4.340 0.002 0.000 0.212 484 L C 1.492 178.415 176.870 0.088 0.000 1.103 484 L CA 1.593 56.377 54.840 -0.094 0.000 0.769 484 L CB -0.209 41.711 42.059 -0.232 0.000 0.908 484 L HN 0.202 nan 8.230 nan 0.000 0.438 485 Y N -0.921 119.391 120.300 0.020 0.000 2.500 485 Y HA 0.072 4.623 4.550 0.002 0.000 0.270 485 Y C 2.159 178.085 175.900 0.043 0.000 1.134 485 Y CA -0.319 57.797 58.100 0.026 0.000 1.293 485 Y CB -0.580 37.893 38.460 0.022 0.000 1.063 485 Y HN 0.193 nan 8.280 nan 0.000 0.534 486 K N 0.154 120.661 120.400 0.179 0.000 2.074 486 K HA -0.192 4.129 4.320 0.002 0.000 0.209 486 K C -0.633 176.034 176.600 0.112 0.000 1.048 486 K CA 1.952 58.312 56.287 0.121 0.000 0.926 486 K CB -1.236 31.309 32.500 0.075 0.000 0.713 486 K HN 0.264 nan 8.250 nan 0.000 0.444 487 P HA -0.160 nan 4.420 nan 0.000 0.213 487 P C 1.329 178.711 177.300 0.137 0.000 1.170 487 P CA 1.194 64.354 63.100 0.101 0.000 0.898 487 P CB 0.020 31.778 31.700 0.096 0.000 0.787 488 L N -1.090 120.239 121.223 0.176 0.000 2.131 488 L HA -0.159 4.182 4.340 0.002 0.000 0.210 488 L C 2.539 179.597 176.870 0.313 0.000 1.092 488 L CA 1.499 56.502 54.840 0.270 0.000 0.759 488 L CB -0.572 41.568 42.059 0.136 0.000 0.903 488 L HN -0.070 nan 8.230 nan 0.000 0.435 489 R N -0.345 120.275 120.500 0.200 0.000 2.189 489 R HA -0.043 4.298 4.340 0.002 0.000 0.218 489 R C 2.368 178.731 176.300 0.104 0.000 1.074 489 R CA 0.928 57.126 56.100 0.163 0.000 0.991 489 R CB -0.295 30.083 30.300 0.130 0.000 0.883 489 R HN 0.325 nan 8.270 nan 0.000 0.457 490 A N 1.357 124.226 122.820 0.081 0.000 1.929 490 A HA -0.148 4.174 4.320 0.002 0.000 0.216 490 A C 1.840 179.401 177.584 -0.038 0.000 1.176 490 A CA 1.032 53.083 52.037 0.023 0.000 0.628 490 A CB -0.162 18.850 19.000 0.020 0.000 0.816 490 A HN 0.253 nan 8.150 nan 0.000 0.444 491 E N -0.500 119.682 120.200 -0.029 0.000 2.023 491 E HA -0.151 4.201 4.350 0.002 0.000 0.196 491 E C 2.227 178.667 176.600 -0.267 0.000 1.003 491 E CA 0.852 57.119 56.400 -0.222 0.000 0.809 491 E CB -0.546 29.086 29.700 -0.112 0.000 0.755 491 E HN 0.567 nan 8.360 nan 0.000 0.449 492 G N 1.218 109.968 108.800 -0.084 0.000 2.679 492 G HA2 -0.426 3.535 3.960 0.002 0.000 0.222 492 G HA3 -0.426 3.535 3.960 0.002 0.000 0.222 492 G C 1.781 176.695 174.900 0.024 0.000 1.164 492 G CA 2.432 47.543 45.100 0.019 0.000 0.769 492 G HN 0.455 nan 8.290 nan 0.000 0.610 493 T N -1.021 113.531 114.554 -0.003 0.000 2.867 493 T HA -0.085 4.266 4.350 0.002 0.000 0.268 493 T C 2.148 176.824 174.700 -0.040 0.000 1.057 493 T CA 1.445 63.542 62.100 -0.004 0.000 1.136 493 T CB -0.254 68.614 68.868 -0.002 0.000 0.874 493 T HN 0.248 nan 8.240 nan 0.000 0.466 494 N N 1.263 119.888 118.700 -0.126 0.000 2.080 494 N HA 0.078 4.819 4.740 0.002 0.000 0.189 494 N C 1.564 176.988 175.510 -0.142 0.000 1.036 494 N CA 1.044 53.986 53.050 -0.180 0.000 0.846 494 N CB -0.855 37.451 38.487 -0.303 0.000 1.015 494 N HN 0.465 nan 8.380 nan 0.000 0.423 495 F N 1.608 121.482 119.950 -0.127 0.000 2.087 495 F HA -0.219 4.310 4.527 0.002 0.000 0.299 495 F C 2.680 178.450 175.800 -0.050 0.000 1.100 495 F CA 1.038 58.968 58.000 -0.117 0.000 1.226 495 F CB -0.080 38.782 39.000 -0.230 0.000 0.983 495 F HN 0.040 nan 8.300 nan 0.000 0.479 496 R N 0.525 121.111 120.500 0.144 0.000 2.096 496 R HA -0.140 4.201 4.340 0.002 0.000 0.235 496 R C 1.984 178.327 176.300 0.071 0.000 1.127 496 R CA 2.030 58.185 56.100 0.093 0.000 0.968 496 R CB -0.925 29.412 30.300 0.062 0.000 0.861 496 R HN 0.204 nan 8.270 nan 0.000 0.440 497 T N 0.785 115.363 114.554 0.041 0.000 2.746 497 T HA -0.085 4.266 4.350 0.002 0.000 0.267 497 T C 1.905 176.627 174.700 0.036 0.000 1.039 497 T CA 1.530 63.643 62.100 0.021 0.000 1.142 497 T CB -0.129 68.733 68.868 -0.011 0.000 0.866 497 T HN 0.069 nan 8.240 nan 0.000 0.444 498 V N 1.594 121.547 119.914 0.065 0.000 2.295 498 V HA -0.123 3.999 4.120 0.002 0.000 0.246 498 V C 2.501 178.678 176.094 0.139 0.000 1.049 498 V CA 1.445 63.804 62.300 0.098 0.000 1.024 498 V CB -0.866 31.070 31.823 0.188 0.000 0.648 498 V HN 0.422 nan 8.190 nan 0.000 0.447 499 L N -0.013 121.317 121.223 0.179 0.000 2.042 499 L HA -0.218 4.124 4.340 0.002 0.000 0.210 499 L C 2.457 179.408 176.870 0.136 0.000 1.076 499 L CA 1.663 56.623 54.840 0.199 0.000 0.749 499 L CB -0.787 41.372 42.059 0.166 0.000 0.893 499 L HN 0.342 nan 8.230 nan 0.000 0.432 500 D N 0.165 120.616 120.400 0.085 0.000 2.123 500 D HA -0.171 4.470 4.640 0.002 0.000 0.196 500 D C 2.210 178.530 176.300 0.034 0.000 0.992 500 D CA 1.220 55.252 54.000 0.054 0.000 0.833 500 D CB -0.016 40.804 40.800 0.035 0.000 0.954 500 D HN 0.302 nan 8.370 nan 0.000 0.455 501 K N 0.454 120.862 120.400 0.012 0.000 2.097 501 K HA 0.017 4.339 4.320 0.002 0.000 0.205 501 K C 2.127 178.695 176.600 -0.054 0.000 1.050 501 K CA 0.928 57.194 56.287 -0.034 0.000 0.938 501 K CB 0.001 32.456 32.500 -0.074 0.000 0.718 501 K HN 0.007 nan 8.250 nan 0.000 0.442 502 A N 1.201 124.005 122.820 -0.027 0.000 1.902 502 A HA -0.125 4.196 4.320 0.002 0.000 0.217 502 A C 2.367 180.007 177.584 0.093 0.000 1.181 502 A CA 1.346 53.362 52.037 -0.035 0.000 0.623 502 A CB -0.745 18.338 19.000 0.138 0.000 0.818 502 A HN 0.055 nan 8.150 nan 0.000 0.443 503 V N 0.001 119.995 119.914 0.133 0.000 2.324 503 V HA -0.385 3.737 4.120 0.002 0.000 0.250 503 V C 2.678 178.807 176.094 0.058 0.000 1.060 503 V CA 2.508 64.874 62.300 0.109 0.000 1.042 503 V CB -0.934 30.938 31.823 0.082 0.000 0.650 503 V HN 0.669 nan 8.190 nan 0.000 0.450 504 Q N -0.684 119.131 119.800 0.025 0.000 2.079 504 Q HA -0.098 4.244 4.340 0.002 0.000 0.200 504 Q C 2.440 178.436 176.000 -0.006 0.000 0.974 504 Q CA 1.531 57.337 55.803 0.006 0.000 0.840 504 Q CB -0.407 28.326 28.738 -0.009 0.000 0.898 504 Q HN 0.683 nan 8.270 nan 0.000 0.430 505 A N 1.510 124.312 122.820 -0.031 0.000 1.908 505 A HA -0.255 4.067 4.320 0.002 0.000 0.218 505 A C 1.568 179.150 177.584 -0.004 0.000 1.181 505 A CA 1.919 53.927 52.037 -0.048 0.000 0.627 505 A CB -0.503 18.425 19.000 -0.121 0.000 0.818 505 A HN 0.266 nan 8.150 nan 0.000 0.445 506 D N -0.343 120.080 120.400 0.039 0.000 2.097 506 D HA -0.089 4.552 4.640 0.002 0.000 0.195 506 D C 2.092 178.418 176.300 0.043 0.000 0.989 506 D CA 1.543 55.582 54.000 0.065 0.000 0.827 506 D CB -0.830 40.036 40.800 0.110 0.000 0.966 506 D HN 0.441 nan 8.370 nan 0.000 0.456 507 G N 0.362 109.185 108.800 0.038 0.000 2.432 507 G HA2 -0.281 3.680 3.960 0.002 0.000 0.219 507 G HA3 -0.281 3.680 3.960 0.002 0.000 0.219 507 G C 1.615 176.535 174.900 0.033 0.000 1.135 507 G CA 0.564 45.684 45.100 0.035 0.000 0.767 507 G HN 0.281 nan 8.290 nan 0.000 0.550 508 Q N -0.427 119.387 119.800 0.023 0.000 2.049 508 Q HA 0.004 4.346 4.340 0.002 0.000 0.198 508 Q C 2.857 178.880 176.000 0.038 0.000 0.971 508 Q CA 1.222 57.038 55.803 0.022 0.000 0.833 508 Q CB -0.113 28.628 28.738 0.006 0.000 0.896 508 Q HN 0.357 nan 8.270 nan 0.000 0.434 509 V N 1.103 121.037 119.914 0.033 0.000 2.427 509 V HA -0.263 3.858 4.120 0.002 0.000 0.248 509 V C 2.163 178.311 176.094 0.089 0.000 1.051 509 V CA 1.727 64.054 62.300 0.044 0.000 1.048 509 V CB -0.489 31.341 31.823 0.011 0.000 0.666 509 V HN 0.294 nan 8.190 nan 0.000 0.456 510 K N 0.313 120.761 120.400 0.081 0.000 1.985 510 K HA -0.263 4.059 4.320 0.002 0.000 0.210 510 K C 2.323 179.039 176.600 0.193 0.000 1.047 510 K CA 2.080 58.455 56.287 0.146 0.000 0.932 510 K CB -0.256 32.301 32.500 0.095 0.000 0.716 510 K HN 0.524 nan 8.250 nan 0.000 0.439 511 E N 0.136 120.397 120.200 0.102 0.000 2.114 511 E HA -0.281 4.070 4.350 0.002 0.000 0.199 511 E C 2.067 178.693 176.600 0.043 0.000 1.008 511 E CA 1.586 58.020 56.400 0.056 0.000 0.810 511 E CB -0.173 29.544 29.700 0.029 0.000 0.739 511 E HN 0.474 nan 8.360 nan 0.000 0.456 512 C N 0.176 119.527 119.300 0.084 0.000 2.435 512 C HA -0.115 4.346 4.460 0.002 0.000 0.279 512 C C 2.595 177.692 174.990 0.179 0.000 1.321 512 C CA 0.902 59.985 59.018 0.108 0.000 1.752 512 C CB -1.321 26.507 27.740 0.147 0.000 1.959 512 C HN 0.703 nan 8.230 nan 0.000 0.500 513 Y N 2.351 122.686 120.300 0.058 0.000 2.200 513 Y HA -0.171 4.380 4.550 0.002 0.000 0.290 513 Y C 2.545 178.467 175.900 0.037 0.000 1.137 513 Y CA 2.246 60.386 58.100 0.067 0.000 1.163 513 Y CB -0.826 37.658 38.460 0.040 0.000 0.988 513 Y HN 0.582 nan 8.280 nan 0.000 0.518 514 Q N -0.890 118.776 119.800 -0.225 0.000 2.297 514 Q HA -0.106 4.235 4.340 0.002 0.000 0.204 514 Q C 2.222 178.073 176.000 -0.248 0.000 0.962 514 Q CA 1.484 57.076 55.803 -0.353 0.000 0.879 514 Q CB -0.455 28.191 28.738 -0.153 0.000 0.947 514 Q HN 0.393 nan 8.270 nan 0.000 0.462 515 S N -0.397 115.162 115.700 -0.236 0.000 2.489 515 S HA -0.046 4.425 4.470 0.002 0.000 0.228 515 S C 0.561 174.851 174.600 -0.516 0.000 0.995 515 S CA 0.609 58.590 58.200 -0.365 0.000 0.934 515 S CB -0.047 62.890 63.200 -0.439 0.000 0.771 515 S HN 0.680 nan 8.310 nan 0.000 0.522 516 H N -1.108 117.926 119.070 -0.060 0.000 3.058 516 H HA 0.399 4.957 4.556 0.002 0.000 0.266 516 H C 1.831 177.130 175.328 -0.049 0.000 1.135 516 H CA -0.274 55.757 56.048 -0.029 0.000 1.174 516 H CB 0.246 30.020 29.762 0.019 0.000 1.581 516 H HN 0.118 nan 8.280 nan 0.000 0.553 517 R N 1.220 121.670 120.500 -0.082 0.000 2.096 517 R HA -0.172 4.169 4.340 0.002 0.000 0.240 517 R C 0.889 177.174 176.300 -0.026 0.000 1.139 517 R CA 2.192 58.224 56.100 -0.113 0.000 0.952 517 R CB 0.014 30.107 30.300 -0.345 0.000 0.854 517 R HN 0.330 nan 8.270 nan 0.000 0.436 518 D N -0.708 119.669 120.400 -0.038 0.000 2.104 518 D HA -0.133 4.508 4.640 0.002 0.000 0.194 518 D C 1.808 178.119 176.300 0.018 0.000 0.994 518 D CA 1.960 55.953 54.000 -0.013 0.000 0.830 518 D CB -0.500 40.287 40.800 -0.021 0.000 0.959 518 D HN 0.313 nan 8.370 nan 0.000 0.452 519 T N 1.177 115.756 114.554 0.040 0.000 2.867 519 T HA -0.030 4.321 4.350 0.002 0.000 0.268 519 T C 2.282 177.016 174.700 0.057 0.000 1.057 519 T CA 0.431 62.563 62.100 0.053 0.000 1.136 519 T CB -0.115 68.799 68.868 0.076 0.000 0.874 519 T HN 0.157 nan 8.240 nan 0.000 0.466 520 I N 1.071 121.687 120.570 0.077 0.000 2.252 520 I HA -0.151 4.020 4.170 0.002 0.000 0.245 520 I C 2.463 178.605 176.117 0.041 0.000 1.102 520 I CA 0.792 62.139 61.300 0.078 0.000 1.385 520 I CB -0.601 37.492 38.000 0.156 0.000 1.064 520 I HN 0.074 nan 8.210 nan 0.000 0.414 521 V N 0.958 120.897 119.914 0.042 0.000 2.282 521 V HA -0.314 3.808 4.120 0.002 0.000 0.249 521 V C 2.462 178.563 176.094 0.012 0.000 1.057 521 V CA 2.014 64.329 62.300 0.026 0.000 1.032 521 V CB -0.775 31.060 31.823 0.020 0.000 0.645 521 V HN 0.389 nan 8.190 nan 0.000 0.447 522 L N -0.159 121.072 121.223 0.014 0.000 2.012 522 L HA -0.151 4.190 4.340 0.002 0.000 0.210 522 L C 2.245 179.116 176.870 0.002 0.000 1.073 522 L CA 1.964 56.810 54.840 0.009 0.000 0.748 522 L CB -0.783 41.284 42.059 0.013 0.000 0.891 522 L HN 0.295 nan 8.230 nan 0.000 0.431 523 L N -0.326 120.900 121.223 0.004 0.000 2.081 523 L HA -0.258 4.083 4.340 0.002 0.000 0.212 523 L C 2.205 179.058 176.870 -0.029 0.000 1.080 523 L CA 1.942 56.778 54.840 -0.007 0.000 0.754 523 L CB -0.905 41.157 42.059 0.004 0.000 0.893 523 L HN 0.454 nan 8.230 nan 0.000 0.433 524 C N 0.144 119.422 119.300 -0.036 0.000 2.573 524 C HA 0.103 4.565 4.460 0.002 0.000 0.273 524 C C 1.044 176.019 174.990 -0.026 0.000 1.346 524 C CA -0.827 58.162 59.018 -0.047 0.000 1.702 524 C CB -1.564 26.145 27.740 -0.052 0.000 1.751 524 C HN 0.204 nan 8.230 nan 0.000 0.583 525 K N 2.185 122.575 120.400 -0.016 0.000 2.295 525 K HA 0.233 4.555 4.320 0.002 0.000 0.270 525 K C -2.328 174.264 176.600 -0.013 0.000 1.011 525 K CA -1.865 54.416 56.287 -0.010 0.000 0.953 525 K CB -0.257 32.240 32.500 -0.005 0.000 0.956 525 K HN 0.036 nan 8.250 nan 0.000 0.477 526 P HA -0.093 nan 4.420 nan 0.000 0.267 526 P C 0.821 178.115 177.300 -0.010 0.000 1.195 526 P CA 0.257 63.351 63.100 -0.009 0.000 0.773 526 P CB 0.464 32.161 31.700 -0.006 0.000 0.837 527 E N 3.513 123.706 120.200 -0.011 0.000 2.118 527 E HA -0.187 4.165 4.350 0.002 0.000 0.195 527 E C -0.943 175.652 176.600 -0.008 0.000 0.992 527 E CA 1.593 57.986 56.400 -0.012 0.000 0.804 527 E CB -1.110 28.582 29.700 -0.013 0.000 0.741 527 E HN 0.369 nan 8.360 nan 0.000 0.458 528 P HA -0.133 nan 4.420 nan 0.000 0.215 528 P C 1.085 178.384 177.300 -0.003 0.000 1.157 528 P CA 1.335 64.433 63.100 -0.004 0.000 0.856 528 P CB -0.116 31.583 31.700 -0.003 0.000 0.786 529 E N -0.360 119.838 120.200 -0.003 0.000 2.118 529 E HA -0.209 4.143 4.350 0.002 0.000 0.195 529 E C 1.826 178.425 176.600 -0.002 0.000 0.992 529 E CA 0.868 57.267 56.400 -0.002 0.000 0.804 529 E CB -0.504 29.195 29.700 -0.001 0.000 0.741 529 E HN 0.007 nan 8.360 nan 0.000 0.458 530 L N 1.398 122.619 121.223 -0.004 0.000 2.072 530 L HA -0.080 4.262 4.340 0.002 0.000 0.205 530 L C 1.962 178.830 176.870 -0.003 0.000 1.079 530 L CA 2.097 56.934 54.840 -0.004 0.000 0.752 530 L CB -0.876 41.177 42.059 -0.009 0.000 0.906 530 L HN 0.107 nan 8.230 nan 0.000 0.436 531 N N 0.076 118.773 118.700 -0.004 0.000 2.166 531 N HA -0.154 4.587 4.740 0.002 0.000 0.186 531 N C 1.764 177.274 175.510 0.000 0.000 1.019 531 N CA 1.514 54.562 53.050 -0.002 0.000 0.856 531 N CB -0.240 38.246 38.487 -0.003 0.000 0.993 531 N HN 0.519 nan 8.380 nan 0.000 0.426 532 A N -0.440 122.380 122.820 0.000 0.000 2.067 532 A HA 0.199 4.521 4.320 0.002 0.000 0.219 532 A C 1.995 179.580 177.584 0.002 0.000 1.158 532 A CA 1.460 53.498 52.037 0.001 0.000 0.661 532 A CB -0.610 18.391 19.000 0.001 0.000 0.801 532 A HN 0.386 nan 8.150 nan 0.000 0.452 533 A N -0.956 121.866 122.820 0.002 0.000 2.275 533 A HA 0.462 4.784 4.320 0.002 0.000 0.212 533 A C 0.606 178.193 177.584 0.005 0.000 1.201 533 A CA -0.098 51.942 52.037 0.004 0.000 0.843 533 A CB -0.131 18.872 19.000 0.004 0.000 0.873 533 A HN 0.375 nan 8.150 nan 0.000 0.492 534 I N 1.853 122.426 120.570 0.005 0.000 2.307 534 I HA 0.239 4.410 4.170 0.002 0.000 0.289 534 I C -2.549 173.572 176.117 0.007 0.000 1.021 534 I CA -2.199 59.105 61.300 0.007 0.000 1.224 534 I CB 1.602 39.606 38.000 0.006 0.000 1.376 534 I HN -0.002 nan 8.210 nan 0.000 0.470 535 P HA 0.032 nan 4.420 nan 0.000 0.264 535 P C -0.175 177.131 177.300 0.009 0.000 1.193 535 P CA -0.055 63.050 63.100 0.009 0.000 0.763 535 P CB 0.537 32.243 31.700 0.010 0.000 0.810 536 S N 2.054 117.758 115.700 0.008 0.000 2.645 536 S HA 0.803 5.275 4.470 0.002 0.000 0.266 536 S C -0.108 174.497 174.600 0.009 0.000 1.258 536 S CA -0.353 57.852 58.200 0.008 0.000 0.990 536 S CB 0.986 64.189 63.200 0.006 0.000 0.967 536 S HN 0.651 nan 8.310 nan 0.000 0.556 537 A N 0.648 123.473 122.820 0.009 0.000 2.586 537 A HA 0.612 4.934 4.320 0.002 0.000 0.290 537 A C -1.097 176.492 177.584 0.007 0.000 1.086 537 A CA -1.207 50.835 52.037 0.009 0.000 0.665 537 A CB 0.385 19.392 19.000 0.012 0.000 1.279 537 A HN 0.895 nan 8.150 nan 0.000 0.423 538 N N 1.170 119.872 118.700 0.004 0.000 2.530 538 N HA 0.544 5.285 4.740 0.002 0.000 0.277 538 N C -2.421 173.092 175.510 0.004 0.000 1.168 538 N CA -0.968 52.083 53.050 0.003 0.000 0.979 538 N CB 0.715 39.201 38.487 -0.002 0.000 1.141 538 N HN 0.535 nan 8.380 nan 0.000 0.459 539 P HA 0.390 nan 4.420 nan 0.000 0.280 539 P C -1.638 175.663 177.300 0.001 0.000 1.272 539 P CA -0.711 62.395 63.100 0.010 0.000 0.819 539 P CB 1.074 32.782 31.700 0.013 0.000 1.122 540 A N 0.956 123.777 122.820 0.001 0.000 2.343 540 A HA 0.359 4.680 4.320 0.002 0.000 0.308 540 A C 0.765 178.349 177.584 0.000 0.000 1.092 540 A CA -0.713 51.318 52.037 -0.011 0.000 0.751 540 A CB 0.962 19.940 19.000 -0.037 0.000 1.203 540 A HN 0.460 nan 8.150 nan 0.000 0.452 541 K N 1.139 121.539 120.400 -0.001 0.000 2.519 541 K HA -0.101 4.220 4.320 0.002 0.000 0.196 541 K C 1.560 178.166 176.600 0.011 0.000 1.041 541 K CA 1.459 57.751 56.287 0.007 0.000 0.954 541 K CB -0.297 32.205 32.500 0.003 0.000 0.774 541 K HN 0.858 nan 8.250 nan 0.000 0.480 542 T N -0.756 113.797 114.554 -0.001 0.000 3.118 542 T HA -0.082 4.269 4.350 0.002 0.000 0.269 542 T C 1.664 176.391 174.700 0.046 0.000 1.166 542 T CA 0.710 62.811 62.100 0.000 0.000 1.073 542 T CB -0.144 68.696 68.868 -0.047 0.000 0.884 542 T HN 0.021 nan 8.240 nan 0.000 0.550 543 M N 1.243 120.878 119.600 0.059 0.000 2.334 543 M HA 0.098 4.579 4.480 0.002 0.000 0.266 543 M C 1.438 177.781 176.300 0.071 0.000 1.082 543 M CA 0.768 56.129 55.300 0.100 0.000 1.141 543 M CB -0.698 31.956 32.600 0.090 0.000 1.380 543 M HN 0.650 nan 8.290 nan 0.000 0.440 544 Q N 0.421 120.247 119.800 0.045 0.000 2.452 544 Q HA 0.439 4.781 4.340 0.002 0.000 0.230 544 Q C 0.641 176.659 176.000 0.029 0.000 1.180 544 Q CA 0.481 56.303 55.803 0.032 0.000 0.914 544 Q CB 0.029 28.780 28.738 0.021 0.000 1.408 544 Q HN 0.520 nan 8.270 nan 0.000 0.520 545 G N 1.781 110.600 108.800 0.032 0.000 2.232 545 G HA2 -0.359 3.602 3.960 0.002 0.000 0.226 545 G HA3 -0.359 3.602 3.960 0.002 0.000 0.226 545 G C 0.280 175.200 174.900 0.034 0.000 0.996 545 G CA -0.016 45.100 45.100 0.027 0.000 0.626 545 G HN 1.012 nan 8.290 nan 0.000 0.509 546 S N 0.396 116.125 115.700 0.049 0.000 2.554 546 S HA 0.202 4.674 4.470 0.002 0.000 0.290 546 S C 1.464 176.099 174.600 0.060 0.000 1.309 546 S CA 1.099 59.334 58.200 0.059 0.000 1.047 546 S CB 1.033 64.289 63.200 0.093 0.000 0.828 546 S HN 0.290 nan 8.310 nan 0.000 0.509 547 E N 2.522 122.753 120.200 0.052 0.000 2.028 547 E HA -0.088 4.263 4.350 0.002 0.000 0.191 547 E C 2.167 178.801 176.600 0.056 0.000 0.988 547 E CA 1.382 57.808 56.400 0.044 0.000 0.799 547 E CB -0.732 28.988 29.700 0.034 0.000 0.755 547 E HN 0.641 nan 8.360 nan 0.000 0.447 548 V N 1.046 121.014 119.914 0.090 0.000 2.380 548 V HA -0.261 3.860 4.120 0.002 0.000 0.251 548 V C 2.572 178.712 176.094 0.078 0.000 1.063 548 V CA 1.447 63.817 62.300 0.118 0.000 1.055 548 V CB -0.512 31.446 31.823 0.225 0.000 0.657 548 V HN 0.074 nan 8.190 nan 0.000 0.455 549 V N 0.263 120.234 119.914 0.096 0.000 2.307 549 V HA -0.216 3.905 4.120 0.002 0.000 0.245 549 V C 2.305 178.377 176.094 -0.036 0.000 1.045 549 V CA 2.148 64.442 62.300 -0.009 0.000 1.024 549 V CB -0.766 31.100 31.823 0.073 0.000 0.651 549 V HN 0.564 nan 8.190 nan 0.000 0.449 550 N N 0.296 118.996 118.700 -0.000 0.000 2.120 550 N HA -0.121 4.620 4.740 0.002 0.000 0.188 550 N C 1.790 177.292 175.510 -0.013 0.000 1.024 550 N CA 1.480 54.526 53.050 -0.007 0.000 0.852 550 N CB -0.516 37.974 38.487 0.004 0.000 1.003 550 N HN 0.376 nan 8.380 nan 0.000 0.424 551 V N 1.343 121.255 119.914 -0.004 0.000 2.255 551 V HA -0.185 3.937 4.120 0.002 0.000 0.247 551 V C 2.395 178.477 176.094 -0.020 0.000 1.051 551 V CA 1.146 63.444 62.300 -0.004 0.000 1.018 551 V CB -0.619 31.210 31.823 0.010 0.000 0.641 551 V HN 0.178 nan 8.190 nan 0.000 0.445 552 L N 0.121 121.319 121.223 -0.041 0.000 2.042 552 L HA -0.162 4.179 4.340 0.002 0.000 0.210 552 L C 2.429 179.255 176.870 -0.073 0.000 1.076 552 L CA 1.984 56.782 54.840 -0.071 0.000 0.749 552 L CB -1.046 40.920 42.059 -0.156 0.000 0.893 552 L HN 0.331 nan 8.230 nan 0.000 0.432 553 K N -1.046 119.310 120.400 -0.073 0.000 2.057 553 K HA -0.171 4.150 4.320 0.002 0.000 0.207 553 K C 2.284 178.861 176.600 -0.039 0.000 1.049 553 K CA 1.591 57.842 56.287 -0.060 0.000 0.931 553 K CB -0.047 32.423 32.500 -0.051 0.000 0.714 553 K HN 0.525 nan 8.250 nan 0.000 0.440 554 S N 0.825 116.508 115.700 -0.028 0.000 2.355 554 S HA -0.141 4.330 4.470 0.002 0.000 0.222 554 S C 2.084 176.674 174.600 -0.018 0.000 1.031 554 S CA 0.992 59.181 58.200 -0.019 0.000 0.993 554 S CB -0.682 62.511 63.200 -0.012 0.000 0.859 554 S HN 0.302 nan 8.310 nan 0.000 0.453 555 L N 0.902 122.114 121.223 -0.019 0.000 2.013 555 L HA -0.128 4.213 4.340 0.002 0.000 0.212 555 L C 2.768 179.626 176.870 -0.020 0.000 1.073 555 L CA 1.611 56.442 54.840 -0.016 0.000 0.753 555 L CB -0.734 41.316 42.059 -0.014 0.000 0.890 555 L HN 0.322 nan 8.230 nan 0.000 0.432 556 L N -1.038 120.167 121.223 -0.030 0.000 2.083 556 L HA -0.210 4.131 4.340 0.002 0.000 0.209 556 L C 2.869 179.724 176.870 -0.025 0.000 1.083 556 L CA 1.366 56.187 54.840 -0.033 0.000 0.752 556 L CB -0.530 41.500 42.059 -0.048 0.000 0.899 556 L HN 0.314 nan 8.230 nan 0.000 0.433 557 S N 0.221 115.907 115.700 -0.024 0.000 2.368 557 S HA -0.176 4.296 4.470 0.002 0.000 0.225 557 S C 1.860 176.453 174.600 -0.012 0.000 1.030 557 S CA 1.625 59.814 58.200 -0.018 0.000 0.999 557 S CB -0.207 62.983 63.200 -0.017 0.000 0.844 557 S HN 0.428 nan 8.310 nan 0.000 0.459 558 N N 1.557 120.250 118.700 -0.011 0.000 2.084 558 N HA -0.046 4.695 4.740 0.002 0.000 0.190 558 N C 1.681 177.188 175.510 -0.005 0.000 1.030 558 N CA 1.267 54.314 53.050 -0.006 0.000 0.849 558 N CB -1.014 37.470 38.487 -0.005 0.000 1.012 558 N HN 0.376 nan 8.380 nan 0.000 0.423 559 L N 1.637 122.856 121.223 -0.007 0.000 2.081 559 L HA -0.177 4.164 4.340 0.002 0.000 0.212 559 L C 1.596 178.464 176.870 -0.003 0.000 1.080 559 L CA 1.800 56.636 54.840 -0.006 0.000 0.754 559 L CB -0.889 41.164 42.059 -0.009 0.000 0.893 559 L HN 0.081 nan 8.230 nan 0.000 0.433 560 D N -0.987 119.409 120.400 -0.006 0.000 2.144 560 D HA -0.193 4.448 4.640 0.002 0.000 0.199 560 D C 2.067 178.368 176.300 0.002 0.000 0.984 560 D CA 1.279 55.278 54.000 -0.002 0.000 0.834 560 D CB 0.108 40.903 40.800 -0.008 0.000 0.955 560 D HN 0.510 nan 8.370 nan 0.000 0.465 561 E N -0.652 119.548 120.200 0.000 0.000 2.106 561 E HA -0.108 4.243 4.350 0.002 0.000 0.192 561 E C 2.224 178.827 176.600 0.005 0.000 0.984 561 E CA 0.417 56.819 56.400 0.002 0.000 0.806 561 E CB 0.173 29.874 29.700 0.001 0.000 0.750 561 E HN 0.123 nan 8.360 nan 0.000 0.458 562 V N 2.515 122.431 119.914 0.004 0.000 2.332 562 V HA -0.312 3.809 4.120 0.002 0.000 0.248 562 V C 2.386 178.485 176.094 0.008 0.000 1.055 562 V CA 2.323 64.626 62.300 0.005 0.000 1.038 562 V CB -0.503 31.323 31.823 0.004 0.000 0.651 562 V HN 0.356 nan 8.190 nan 0.000 0.450 563 K N 0.755 121.161 120.400 0.010 0.000 2.243 563 K HA -0.137 4.185 4.320 0.002 0.000 0.201 563 K C 2.082 178.692 176.600 0.017 0.000 1.051 563 K CA 1.349 57.645 56.287 0.014 0.000 0.970 563 K CB -0.175 32.335 32.500 0.017 0.000 0.755 563 K HN 0.364 nan 8.250 nan 0.000 0.465 564 K N 2.033 122.443 120.400 0.016 0.000 2.217 564 K HA -0.128 4.193 4.320 0.002 0.000 0.202 564 K C 2.056 178.666 176.600 0.016 0.000 1.051 564 K CA 1.214 57.512 56.287 0.018 0.000 0.952 564 K CB 0.100 32.609 32.500 0.015 0.000 0.736 564 K HN 0.341 nan 8.250 nan 0.000 0.453 565 E N 0.722 120.930 120.200 0.014 0.000 2.152 565 E HA -0.176 4.175 4.350 0.002 0.000 0.192 565 E C 1.733 178.342 176.600 0.015 0.000 0.983 565 E CA 0.678 57.086 56.400 0.013 0.000 0.818 565 E CB 0.069 29.775 29.700 0.011 0.000 0.758 565 E HN 0.305 nan 8.360 nan 0.000 0.467 566 R N 0.518 121.027 120.500 0.015 0.000 2.159 566 R HA -0.168 4.174 4.340 0.002 0.000 0.237 566 R C 2.321 178.632 176.300 0.018 0.000 1.131 566 R CA 1.492 57.601 56.100 0.016 0.000 0.982 566 R CB -0.165 30.143 30.300 0.014 0.000 0.868 566 R HN 0.340 nan 8.270 nan 0.000 0.453 567 E N -0.183 120.029 120.200 0.019 0.000 2.047 567 E HA -0.131 4.221 4.350 0.002 0.000 0.191 567 E C 2.035 178.647 176.600 0.021 0.000 0.987 567 E CA 1.255 57.668 56.400 0.021 0.000 0.799 567 E CB -0.144 29.570 29.700 0.022 0.000 0.752 567 E HN 0.404 nan 8.360 nan 0.000 0.449 568 G N 1.060 109.872 108.800 0.020 0.000 2.408 568 G HA2 -0.215 3.747 3.960 0.002 0.000 0.217 568 G HA3 -0.215 3.747 3.960 0.002 0.000 0.217 568 G C 1.580 176.494 174.900 0.024 0.000 1.150 568 G CA 0.535 45.647 45.100 0.021 0.000 0.776 568 G HN 0.181 nan 8.290 nan 0.000 0.542 569 L N 0.191 121.429 121.223 0.025 0.000 2.017 569 L HA -0.090 4.252 4.340 0.002 0.000 0.208 569 L C 2.823 179.715 176.870 0.037 0.000 1.073 569 L CA 1.790 56.649 54.840 0.031 0.000 0.745 569 L CB -0.415 41.660 42.059 0.027 0.000 0.894 569 L HN 0.406 nan 8.230 nan 0.000 0.432 570 E N 0.227 120.445 120.200 0.030 0.000 2.110 570 E HA -0.248 4.103 4.350 0.002 0.000 0.193 570 E C 1.854 178.477 176.600 0.038 0.000 0.988 570 E CA 1.432 57.851 56.400 0.031 0.000 0.804 570 E CB 0.071 29.783 29.700 0.021 0.000 0.745 570 E HN 0.427 nan 8.360 nan 0.000 0.458 571 N N 0.927 119.648 118.700 0.034 0.000 2.216 571 N HA -0.111 4.631 4.740 0.002 0.000 0.183 571 N C 1.186 176.722 175.510 0.044 0.000 1.017 571 N CA 1.316 54.387 53.050 0.035 0.000 0.861 571 N CB -0.239 38.265 38.487 0.028 0.000 0.986 571 N HN 0.249 nan 8.380 nan 0.000 0.428 572 D N 0.588 121.014 120.400 0.044 0.000 2.149 572 D HA -0.009 4.632 4.640 0.002 0.000 0.201 572 D C 2.134 178.482 176.300 0.080 0.000 0.972 572 D CA 0.244 54.271 54.000 0.046 0.000 0.835 572 D CB -0.238 40.581 40.800 0.032 0.000 0.966 572 D HN 0.181 nan 8.370 nan 0.000 0.476 573 L N 0.437 121.723 121.223 0.106 0.000 2.012 573 L HA -0.209 4.132 4.340 0.002 0.000 0.210 573 L C 2.189 179.176 176.870 0.195 0.000 1.073 573 L CA 1.451 56.401 54.840 0.183 0.000 0.748 573 L CB -0.161 41.971 42.059 0.121 0.000 0.891 573 L HN -0.015 nan 8.230 nan 0.000 0.431 574 K N -1.192 119.276 120.400 0.112 0.000 2.228 574 K HA -0.004 4.317 4.320 0.002 0.000 0.202 574 K C 2.037 178.693 176.600 0.094 0.000 1.051 574 K CA 0.938 57.281 56.287 0.093 0.000 0.960 574 K CB 0.117 32.650 32.500 0.055 0.000 0.743 574 K HN 0.123 nan 8.250 nan 0.000 0.458 575 S N 0.425 116.174 115.700 0.080 0.000 2.501 575 S HA 0.043 4.514 4.470 0.002 0.000 0.220 575 S C 0.644 175.281 174.600 0.061 0.000 0.997 575 S CA 0.033 58.268 58.200 0.059 0.000 0.919 575 S CB 0.295 63.518 63.200 0.039 0.000 0.778 575 S HN -0.057 nan 8.310 nan 0.000 0.523 576 V N 4.120 124.080 119.914 0.077 0.000 2.743 576 V HA 0.531 4.652 4.120 0.002 0.000 0.301 576 V C -0.074 176.095 176.094 0.125 0.000 1.057 576 V CA -0.819 61.507 62.300 0.043 0.000 1.006 576 V CB 1.227 33.000 31.823 -0.083 0.000 1.024 576 V HN 0.587 nan 8.190 nan 0.000 0.473 577 N N 2.071 120.838 118.700 0.111 0.000 2.745 577 N HA 0.302 5.044 4.740 0.002 0.000 0.256 577 N C -1.802 173.828 175.510 0.200 0.000 1.268 577 N CA -0.640 52.539 53.050 0.215 0.000 0.887 577 N CB 1.802 40.422 38.487 0.223 0.000 1.575 577 N HN 0.462 nan 8.380 nan 0.000 0.496 578 F N 1.008 121.040 119.950 0.137 0.000 2.444 578 F HA 0.321 4.849 4.527 0.002 0.000 0.342 578 F C -0.027 175.782 175.800 0.015 0.000 1.121 578 F CA -0.630 57.398 58.000 0.047 0.000 0.997 578 F CB 1.080 40.097 39.000 0.029 0.000 1.130 578 F HN 0.474 nan 8.300 nan 0.000 0.454 579 D N 6.069 126.277 120.400 -0.319 0.000 2.343 579 D HA 0.095 4.737 4.640 0.002 0.000 0.255 579 D C 0.489 176.648 176.300 -0.235 0.000 1.187 579 D CA 0.063 53.937 54.000 -0.210 0.000 0.875 579 D CB 0.947 41.606 40.800 -0.235 0.000 1.136 579 D HN 0.509 nan 8.370 nan 0.000 0.469 580 M N 2.883 122.426 119.600 -0.096 0.000 2.431 580 M HA -0.002 4.479 4.480 0.002 0.000 0.237 580 M C 1.454 177.654 176.300 -0.168 0.000 1.130 580 M CA 0.118 55.293 55.300 -0.209 0.000 1.002 580 M CB -0.218 31.991 32.600 -0.650 0.000 1.524 580 M HN 0.326 nan 8.290 nan 0.000 0.482 581 T N 0.577 115.135 114.554 0.008 0.000 2.622 581 T HA -0.119 4.232 4.350 0.002 0.000 0.266 581 T C 2.024 176.770 174.700 0.077 0.000 1.047 581 T CA 2.065 64.236 62.100 0.119 0.000 1.159 581 T CB -0.024 68.890 68.868 0.077 0.000 0.863 581 T HN 0.355 nan 8.240 nan 0.000 0.422 582 S N 0.839 116.540 115.700 0.002 0.000 2.365 582 S HA -0.146 4.326 4.470 0.002 0.000 0.225 582 S C 2.085 176.683 174.600 -0.004 0.000 1.039 582 S CA 1.436 59.639 58.200 0.004 0.000 1.033 582 S CB -0.297 62.891 63.200 -0.020 0.000 0.887 582 S HN 0.348 nan 8.310 nan 0.000 0.447 583 K N 0.421 120.775 120.400 -0.077 0.000 2.152 583 K HA 0.022 4.343 4.320 0.002 0.000 0.206 583 K C 1.594 178.113 176.600 -0.136 0.000 1.048 583 K CA 1.313 57.506 56.287 -0.156 0.000 0.933 583 K CB -0.279 32.034 32.500 -0.312 0.000 0.721 583 K HN 0.416 nan 8.250 nan 0.000 0.447 584 F N -0.182 119.783 119.950 0.024 0.000 2.149 584 F HA -0.063 4.465 4.527 0.002 0.000 0.294 584 F C 1.791 177.606 175.800 0.025 0.000 1.095 584 F CA 0.425 58.437 58.000 0.020 0.000 1.276 584 F CB -0.108 38.903 39.000 0.017 0.000 1.023 584 F HN -0.100 nan 8.300 nan 0.000 0.480 585 L N -0.431 120.916 121.223 0.207 0.000 2.079 585 L HA -0.220 4.122 4.340 0.002 0.000 0.210 585 L C 2.368 179.293 176.870 0.092 0.000 1.081 585 L CA 1.403 56.319 54.840 0.127 0.000 0.752 585 L CB -1.166 40.950 42.059 0.096 0.000 0.896 585 L HN 0.162 nan 8.230 nan 0.000 0.433 586 T N 0.039 114.637 114.554 0.074 0.000 2.643 586 T HA -0.196 4.155 4.350 0.002 0.000 0.264 586 T C 2.069 176.806 174.700 0.062 0.000 1.045 586 T CA 1.462 63.594 62.100 0.053 0.000 1.155 586 T CB -0.321 68.566 68.868 0.032 0.000 0.863 586 T HN 0.454 nan 8.240 nan 0.000 0.420 587 A N 0.951 123.818 122.820 0.080 0.000 1.958 587 A HA -0.114 4.207 4.320 0.002 0.000 0.221 587 A C 2.232 179.866 177.584 0.084 0.000 1.178 587 A CA 1.562 53.652 52.037 0.089 0.000 0.642 587 A CB -0.833 18.248 19.000 0.135 0.000 0.816 587 A HN 0.405 nan 8.150 nan 0.000 0.453 588 L N -1.213 120.066 121.223 0.094 0.000 2.179 588 L HA 0.122 4.463 4.340 0.002 0.000 0.208 588 L C 2.651 179.555 176.870 0.056 0.000 1.096 588 L CA 1.774 56.658 54.840 0.073 0.000 0.779 588 L CB -0.489 41.615 42.059 0.075 0.000 0.922 588 L HN 0.335 nan 8.230 nan 0.000 0.443 589 A N -1.416 121.437 122.820 0.055 0.000 1.903 589 A HA -0.169 4.152 4.320 0.002 0.000 0.213 589 A C 2.241 179.849 177.584 0.039 0.000 1.185 589 A CA 1.146 53.209 52.037 0.045 0.000 0.628 589 A CB -0.503 18.523 19.000 0.043 0.000 0.830 589 A HN 0.527 nan 8.150 nan 0.000 0.446 590 Q N -0.560 119.263 119.800 0.039 0.000 2.224 590 Q HA -0.107 4.234 4.340 0.002 0.000 0.203 590 Q C -0.408 175.612 176.000 0.032 0.000 0.970 590 Q CA 1.374 57.197 55.803 0.033 0.000 0.865 590 Q CB 0.093 28.850 28.738 0.032 0.000 0.922 590 Q HN 0.594 nan 8.270 nan 0.000 0.445 591 D N -2.940 117.482 120.400 0.037 0.000 2.614 591 D HA 0.302 4.943 4.640 0.002 0.000 0.264 591 D C 0.242 176.563 176.300 0.035 0.000 1.092 591 D CA -0.049 53.972 54.000 0.035 0.000 1.071 591 D CB 0.891 41.714 40.800 0.039 0.000 1.443 591 D HN 0.041 nan 8.370 nan 0.000 0.528 592 G N -0.983 107.836 108.800 0.031 0.000 2.539 592 G HA2 0.252 4.213 3.960 0.002 0.000 0.215 592 G HA3 0.252 4.213 3.960 0.002 0.000 0.215 592 G C 0.215 175.133 174.900 0.030 0.000 1.141 592 G CA 0.510 45.627 45.100 0.028 0.000 0.806 592 G HN 0.230 nan 8.290 nan 0.000 0.533 593 V N -0.077 119.857 119.914 0.033 0.000 3.141 593 V HA 0.527 4.648 4.120 0.002 0.000 0.312 593 V C -1.004 175.117 176.094 0.045 0.000 1.157 593 V CA -0.862 61.458 62.300 0.033 0.000 1.041 593 V CB 2.519 34.358 31.823 0.027 0.000 1.071 593 V HN 0.057 nan 8.190 nan 0.000 0.441 594 I N 3.350 123.944 120.570 0.040 0.000 2.382 594 I HA 0.372 4.544 4.170 0.002 0.000 0.286 594 I C -0.744 175.405 176.117 0.052 0.000 1.002 594 I CA -0.437 60.899 61.300 0.060 0.000 1.135 594 I CB 1.574 39.589 38.000 0.025 0.000 1.288 594 I HN 0.752 nan 8.210 nan 0.000 0.448 595 N N 6.445 125.196 118.700 0.084 0.000 2.609 595 N HA 0.072 4.814 4.740 0.002 0.000 0.234 595 N C 0.377 175.972 175.510 0.141 0.000 1.001 595 N CA -0.572 52.527 53.050 0.081 0.000 0.926 595 N CB 1.221 39.746 38.487 0.064 0.000 1.130 595 N HN 0.646 nan 8.380 nan 0.000 0.510 596 E N 1.539 121.827 120.200 0.146 0.000 2.106 596 E HA -0.227 4.124 4.350 0.002 0.000 0.192 596 E C 1.355 178.092 176.600 0.229 0.000 0.984 596 E CA 0.968 57.545 56.400 0.295 0.000 0.806 596 E CB -0.111 29.687 29.700 0.163 0.000 0.750 596 E HN 0.706 nan 8.360 nan 0.000 0.458 597 E N 0.837 121.118 120.200 0.134 0.000 2.065 597 E HA -0.319 4.032 4.350 0.002 0.000 0.201 597 E C 2.021 178.680 176.600 0.099 0.000 1.016 597 E CA 1.758 58.220 56.400 0.104 0.000 0.818 597 E CB -0.342 29.396 29.700 0.063 0.000 0.749 597 E HN 0.410 nan 8.360 nan 0.000 0.453 598 A N 0.696 123.567 122.820 0.084 0.000 2.015 598 A HA -0.114 4.207 4.320 0.002 0.000 0.219 598 A C 2.048 179.672 177.584 0.066 0.000 1.163 598 A CA 0.843 52.918 52.037 0.063 0.000 0.646 598 A CB -0.347 18.683 19.000 0.049 0.000 0.806 598 A HN 0.356 nan 8.150 nan 0.000 0.448 599 L N -0.176 121.107 121.223 0.100 0.000 2.034 599 L HA -0.017 4.324 4.340 0.002 0.000 0.203 599 L C 2.549 179.463 176.870 0.073 0.000 1.074 599 L CA 2.331 57.211 54.840 0.067 0.000 0.748 599 L CB -1.375 40.749 42.059 0.110 0.000 0.905 599 L HN 0.349 nan 8.230 nan 0.000 0.439 600 S N -0.464 115.357 115.700 0.202 0.000 2.377 600 S HA -0.233 4.238 4.470 0.002 0.000 0.224 600 S C 2.082 176.799 174.600 0.196 0.000 1.042 600 S CA 1.787 60.185 58.200 0.329 0.000 1.086 600 S CB -0.717 62.729 63.200 0.410 0.000 0.995 600 S HN 0.316 nan 8.310 nan 0.000 0.428 601 V N 1.510 121.495 119.914 0.119 0.000 2.277 601 V HA -0.287 3.835 4.120 0.002 0.000 0.253 601 V C 2.536 178.658 176.094 0.048 0.000 1.067 601 V CA 2.416 64.755 62.300 0.065 0.000 1.047 601 V CB -1.325 30.524 31.823 0.045 0.000 0.649 601 V HN 0.558 nan 8.190 nan 0.000 0.447 602 T N -1.410 113.163 114.554 0.031 0.000 2.857 602 T HA -0.156 4.195 4.350 0.002 0.000 0.266 602 T C 1.909 176.585 174.700 -0.041 0.000 1.048 602 T CA 1.556 63.651 62.100 -0.008 0.000 1.139 602 T CB -0.115 68.738 68.868 -0.024 0.000 0.874 602 T HN 0.436 nan 8.240 nan 0.000 0.455 603 E N 0.929 121.093 120.200 -0.060 0.000 2.051 603 E HA 0.095 4.446 4.350 0.002 0.000 0.189 603 E C 2.135 178.733 176.600 -0.003 0.000 0.979 603 E CA 0.584 56.888 56.400 -0.160 0.000 0.803 603 E CB -0.491 29.005 29.700 -0.341 0.000 0.761 603 E HN 0.362 nan 8.360 nan 0.000 0.451 604 L N 0.961 122.281 121.223 0.160 0.000 1.997 604 L HA -0.275 4.066 4.340 0.002 0.000 0.216 604 L C 2.279 179.262 176.870 0.187 0.000 1.074 604 L CA 1.862 56.846 54.840 0.241 0.000 0.763 604 L CB -0.642 41.481 42.059 0.107 0.000 0.890 604 L HN 0.254 nan 8.230 nan 0.000 0.434 605 D N -0.146 120.305 120.400 0.085 0.000 2.158 605 D HA -0.237 4.405 4.640 0.002 0.000 0.197 605 D C 2.267 178.585 176.300 0.029 0.000 0.995 605 D CA 1.291 55.323 54.000 0.053 0.000 0.846 605 D CB 0.019 40.832 40.800 0.022 0.000 0.941 605 D HN 0.206 nan 8.370 nan 0.000 0.456 606 R N -0.181 120.313 120.500 -0.011 0.000 2.093 606 R HA -0.032 4.310 4.340 0.002 0.000 0.224 606 R C 2.076 178.333 176.300 -0.072 0.000 1.101 606 R CA 0.808 56.877 56.100 -0.052 0.000 0.979 606 R CB 0.072 30.311 30.300 -0.103 0.000 0.877 606 R HN 0.066 nan 8.270 nan 0.000 0.441 607 V N -0.227 119.632 119.914 -0.091 0.000 2.535 607 V HA -0.103 4.018 4.120 0.002 0.000 0.246 607 V C 1.004 176.879 176.094 -0.366 0.000 1.045 607 V CA 1.311 63.461 62.300 -0.250 0.000 1.058 607 V CB -0.324 31.294 31.823 -0.341 0.000 0.689 607 V HN 0.314 nan 8.190 nan 0.000 0.461 608 Y N 0.026 120.331 120.300 0.009 0.000 2.500 608 Y HA 0.424 4.975 4.550 0.002 0.000 0.246 608 Y C 2.183 178.083 175.900 -0.000 0.000 1.146 608 Y CA 0.349 58.454 58.100 0.008 0.000 1.230 608 Y CB 0.207 38.669 38.460 0.003 0.000 1.214 608 Y HN 0.174 nan 8.280 nan 0.000 0.526 609 G N 0.099 108.961 108.800 0.103 0.000 2.403 609 G HA2 -0.140 3.821 3.960 0.002 0.000 0.216 609 G HA3 -0.140 3.821 3.960 0.002 0.000 0.216 609 G C 1.914 176.839 174.900 0.042 0.000 1.154 609 G CA 0.890 46.028 45.100 0.064 0.000 0.784 609 G HN 0.477 nan 8.290 nan 0.000 0.538 610 G N 1.076 109.891 108.800 0.025 0.000 2.446 610 G HA2 -0.167 3.795 3.960 0.002 0.000 0.217 610 G HA3 -0.167 3.795 3.960 0.002 0.000 0.217 610 G C 1.791 176.708 174.900 0.028 0.000 1.168 610 G CA 0.858 45.968 45.100 0.017 0.000 0.771 610 G HN 0.413 nan 8.290 nan 0.000 0.551 611 L N 0.927 122.177 121.223 0.044 0.000 1.988 611 L HA -0.083 4.259 4.340 0.002 0.000 0.207 611 L C 3.405 180.309 176.870 0.057 0.000 1.071 611 L CA 1.863 56.737 54.840 0.057 0.000 0.744 611 L CB -1.287 40.826 42.059 0.090 0.000 0.893 611 L HN 0.410 nan 8.230 nan 0.000 0.433 612 T N -4.071 110.526 114.554 0.072 0.000 2.778 612 T HA -0.221 4.130 4.350 0.002 0.000 0.269 612 T C 1.764 176.482 174.700 0.030 0.000 1.050 612 T CA 1.948 64.077 62.100 0.047 0.000 1.137 612 T CB -0.807 68.088 68.868 0.045 0.000 0.860 612 T HN 0.232 nan 8.240 nan 0.000 0.468 613 T N 1.561 116.133 114.554 0.029 0.000 2.737 613 T HA 0.007 4.358 4.350 0.002 0.000 0.265 613 T C 2.024 176.734 174.700 0.016 0.000 1.038 613 T CA 1.202 63.313 62.100 0.019 0.000 1.144 613 T CB -0.204 68.675 68.868 0.017 0.000 0.866 613 T HN 0.488 nan 8.240 nan 0.000 0.434 614 K N 0.561 120.972 120.400 0.019 0.000 2.057 614 K HA -0.042 4.279 4.320 0.002 0.000 0.207 614 K C 2.315 178.924 176.600 0.015 0.000 1.049 614 K CA 0.876 57.172 56.287 0.016 0.000 0.931 614 K CB -0.490 32.020 32.500 0.017 0.000 0.714 614 K HN 0.131 nan 8.250 nan 0.000 0.440 615 V N 1.934 121.859 119.914 0.018 0.000 2.252 615 V HA -0.301 3.820 4.120 0.002 0.000 0.249 615 V C 2.412 178.511 176.094 0.009 0.000 1.056 615 V CA 1.764 64.072 62.300 0.014 0.000 1.022 615 V CB -0.477 31.356 31.823 0.016 0.000 0.641 615 V HN 0.369 nan 8.190 nan 0.000 0.445 616 Q N -0.351 119.455 119.800 0.009 0.000 2.181 616 Q HA -0.227 4.114 4.340 0.002 0.000 0.205 616 Q C 2.190 178.193 176.000 0.005 0.000 0.980 616 Q CA 1.649 57.455 55.803 0.006 0.000 0.862 616 Q CB -0.326 28.415 28.738 0.006 0.000 0.905 616 Q HN 0.745 nan 8.270 nan 0.000 0.429 617 E N -0.008 120.196 120.200 0.007 0.000 2.047 617 E HA -0.104 4.247 4.350 0.002 0.000 0.191 617 E C 2.165 178.768 176.600 0.005 0.000 0.987 617 E CA 0.837 57.241 56.400 0.006 0.000 0.799 617 E CB -0.050 29.654 29.700 0.007 0.000 0.752 617 E HN 0.130 nan 8.360 nan 0.000 0.449 618 S N 0.883 116.586 115.700 0.006 0.000 2.389 618 S HA -0.216 4.255 4.470 0.002 0.000 0.229 618 S C 1.987 176.589 174.600 0.004 0.000 1.048 618 S CA 1.280 59.484 58.200 0.005 0.000 1.117 618 S CB -0.374 62.830 63.200 0.007 0.000 1.020 618 S HN 0.162 nan 8.310 nan 0.000 0.430 619 L N 0.811 122.036 121.223 0.003 0.000 1.971 619 L HA -0.215 4.126 4.340 0.002 0.000 0.215 619 L C 2.592 179.462 176.870 0.001 0.000 1.072 619 L CA 1.770 56.611 54.840 0.001 0.000 0.758 619 L CB -0.640 41.419 42.059 0.000 0.000 0.889 619 L HN 0.285 nan 8.230 nan 0.000 0.433 620 K N -0.070 120.331 120.400 0.002 0.000 2.097 620 K HA -0.206 4.116 4.320 0.002 0.000 0.206 620 K C 2.217 178.818 176.600 0.002 0.000 1.049 620 K CA 1.221 57.509 56.287 0.002 0.000 0.933 620 K CB -0.104 32.397 32.500 0.002 0.000 0.717 620 K HN 0.205 nan 8.250 nan 0.000 0.442 621 K N 1.325 121.726 120.400 0.003 0.000 2.057 621 K HA -0.217 4.104 4.320 0.002 0.000 0.206 621 K C 2.323 178.924 176.600 0.002 0.000 1.050 621 K CA 1.390 57.678 56.287 0.002 0.000 0.935 621 K CB 0.064 32.566 32.500 0.003 0.000 0.715 621 K HN 0.136 nan 8.250 nan 0.000 0.439 622 Q N 0.930 120.731 119.800 0.001 0.000 2.061 622 Q HA -0.234 4.108 4.340 0.002 0.000 0.204 622 Q C 1.722 177.722 176.000 0.000 0.000 0.984 622 Q CA 1.775 57.578 55.803 0.001 0.000 0.846 622 Q CB -0.001 28.737 28.738 0.000 0.000 0.902 622 Q HN 0.334 nan 8.270 nan 0.000 0.421 623 E N -0.529 119.672 120.200 0.001 0.000 2.065 623 E HA -0.232 4.120 4.350 0.002 0.000 0.201 623 E C 1.896 178.498 176.600 0.002 0.000 1.016 623 E CA 1.181 57.581 56.400 0.001 0.000 0.818 623 E CB -0.416 29.285 29.700 0.001 0.000 0.749 623 E HN 0.629 nan 8.360 nan 0.000 0.453 624 G N 0.949 109.751 108.800 0.003 0.000 2.446 624 G HA2 -0.263 3.698 3.960 0.002 0.000 0.217 624 G HA3 -0.263 3.698 3.960 0.002 0.000 0.217 624 G C 1.574 176.477 174.900 0.004 0.000 1.168 624 G CA 0.778 45.880 45.100 0.004 0.000 0.771 624 G HN 0.114 nan 8.290 nan 0.000 0.551 625 L N -0.102 121.123 121.223 0.002 0.000 2.017 625 L HA -0.021 4.320 4.340 0.002 0.000 0.208 625 L C 2.955 179.825 176.870 0.001 0.000 1.073 625 L CA 0.633 55.473 54.840 0.000 0.000 0.745 625 L CB -0.400 41.658 42.059 -0.002 0.000 0.894 625 L HN 0.181 nan 8.230 nan 0.000 0.432 626 L N -0.439 120.784 121.223 -0.000 0.000 2.046 626 L HA -0.235 4.106 4.340 0.002 0.000 0.208 626 L C 2.662 179.535 176.870 0.005 0.000 1.077 626 L CA 1.470 56.309 54.840 -0.001 0.000 0.747 626 L CB -0.528 41.530 42.059 -0.003 0.000 0.896 626 L HN 0.256 nan 8.230 nan 0.000 0.432 627 K N 0.047 120.452 120.400 0.007 0.000 2.032 627 K HA -0.188 4.134 4.320 0.002 0.000 0.209 627 K C 1.902 178.513 176.600 0.018 0.000 1.048 627 K CA 1.813 58.107 56.287 0.012 0.000 0.927 627 K CB -0.216 32.291 32.500 0.011 0.000 0.712 627 K HN 0.225 nan 8.250 nan 0.000 0.441 628 N N 1.060 119.769 118.700 0.015 0.000 2.084 628 N HA -0.143 4.598 4.740 0.002 0.000 0.190 628 N C 1.809 177.334 175.510 0.025 0.000 1.030 628 N CA 1.464 54.525 53.050 0.018 0.000 0.849 628 N CB -0.277 38.217 38.487 0.012 0.000 1.012 628 N HN 0.291 nan 8.380 nan 0.000 0.423 629 I N -1.399 119.182 120.570 0.019 0.000 2.315 629 I HA -0.170 4.001 4.170 0.002 0.000 0.248 629 I C 2.134 178.286 176.117 0.058 0.000 1.117 629 I CA 1.281 62.596 61.300 0.026 0.000 1.404 629 I CB -0.678 37.323 38.000 0.001 0.000 1.071 629 I HN 0.019 nan 8.210 nan 0.000 0.419 630 Q N 1.931 121.757 119.800 0.043 0.000 2.096 630 Q HA -0.135 4.206 4.340 0.002 0.000 0.204 630 Q C 2.153 178.210 176.000 0.095 0.000 0.982 630 Q CA 2.460 58.299 55.803 0.060 0.000 0.850 630 Q CB -0.431 28.327 28.738 0.034 0.000 0.901 630 Q HN 0.531 nan 8.270 nan 0.000 0.422 631 V N -0.558 119.398 119.914 0.070 0.000 2.488 631 V HA -0.122 3.999 4.120 0.002 0.000 0.246 631 V C 2.243 178.383 176.094 0.076 0.000 1.046 631 V CA 1.594 63.932 62.300 0.064 0.000 1.053 631 V CB -0.662 31.187 31.823 0.042 0.000 0.679 631 V HN 0.355 nan 8.190 nan 0.000 0.458 632 S N -0.731 115.017 115.700 0.081 0.000 2.387 632 S HA -0.233 4.238 4.470 0.002 0.000 0.226 632 S C 2.053 176.732 174.600 0.132 0.000 1.026 632 S CA 1.807 60.058 58.200 0.084 0.000 0.972 632 S CB -0.329 62.906 63.200 0.058 0.000 0.814 632 S HN 0.830 nan 8.310 nan 0.000 0.477 633 H N 1.781 120.891 119.070 0.067 0.000 2.293 633 H HA -0.092 4.466 4.556 0.002 0.000 0.300 633 H C 2.327 177.745 175.328 0.150 0.000 1.082 633 H CA 2.400 58.518 56.048 0.117 0.000 1.308 633 H CB -0.583 29.220 29.762 0.068 0.000 1.375 633 H HN 0.589 nan 8.280 nan 0.000 0.495 634 Q N -0.114 119.749 119.800 0.104 0.000 2.248 634 Q HA -0.255 4.086 4.340 0.002 0.000 0.208 634 Q C 1.972 177.952 176.000 -0.033 0.000 0.984 634 Q CA 2.003 57.821 55.803 0.025 0.000 0.875 634 Q CB -0.141 28.646 28.738 0.081 0.000 0.910 634 Q HN 0.570 nan 8.270 nan 0.000 0.433 635 E N 0.556 120.760 120.200 0.006 0.000 2.051 635 E HA -0.133 4.218 4.350 0.002 0.000 0.189 635 E C 1.514 178.107 176.600 -0.011 0.000 0.979 635 E CA 1.019 57.422 56.400 0.005 0.000 0.803 635 E CB -0.502 29.221 29.700 0.039 0.000 0.761 635 E HN 0.450 nan 8.360 nan 0.000 0.451 636 F N 0.585 120.450 119.950 -0.141 0.000 2.236 636 F HA -0.195 4.334 4.527 0.002 0.000 0.302 636 F C 2.259 177.926 175.800 -0.223 0.000 1.073 636 F CA 1.464 59.368 58.000 -0.160 0.000 1.336 636 F CB -0.390 38.523 39.000 -0.146 0.000 1.040 636 F HN 0.009 nan 8.300 nan 0.000 0.507 637 S N -0.099 115.428 115.700 -0.288 0.000 2.368 637 S HA -0.174 4.298 4.470 0.002 0.000 0.224 637 S C 2.008 176.477 174.600 -0.220 0.000 1.029 637 S CA 1.208 59.232 58.200 -0.294 0.000 0.988 637 S CB -0.159 62.904 63.200 -0.229 0.000 0.838 637 S HN 0.401 nan 8.310 nan 0.000 0.462 638 K N 0.665 120.965 120.400 -0.167 0.000 2.032 638 K HA -0.136 4.185 4.320 0.002 0.000 0.209 638 K C 2.256 178.754 176.600 -0.169 0.000 1.048 638 K CA 1.503 57.713 56.287 -0.129 0.000 0.927 638 K CB -0.299 32.149 32.500 -0.086 0.000 0.712 638 K HN 0.377 nan 8.250 nan 0.000 0.441 639 M N 1.473 120.927 119.600 -0.243 0.000 2.080 639 M HA -0.170 4.312 4.480 0.002 0.000 0.260 639 M C 1.068 177.193 176.300 -0.292 0.000 1.068 639 M CA 1.488 56.622 55.300 -0.277 0.000 1.109 639 M CB 0.030 32.398 32.600 -0.386 0.000 1.342 639 M HN -0.050 nan 8.290 nan 0.000 0.405 640 K N 0.668 120.834 120.400 -0.391 0.000 2.187 640 K HA 0.011 4.332 4.320 0.002 0.000 0.247 640 K C -0.581 175.926 176.600 -0.155 0.000 1.019 640 K CA -0.067 56.052 56.287 -0.281 0.000 0.893 640 K CB 0.560 32.886 32.500 -0.290 0.000 1.025 640 K HN 0.142 nan 8.250 nan 0.000 0.500 641 Q N 0.793 120.532 119.800 -0.102 0.000 2.353 641 Q HA 0.219 4.561 4.340 0.002 0.000 0.268 641 Q C -1.345 174.631 176.000 -0.040 0.000 1.045 641 Q CA -0.471 55.294 55.803 -0.065 0.000 0.811 641 Q CB 2.175 30.881 28.738 -0.053 0.000 1.305 641 Q HN 0.696 nan 8.270 nan 0.000 0.447 642 S N 3.016 118.697 115.700 -0.030 0.000 2.411 642 S HA 0.589 5.060 4.470 0.002 0.000 0.294 642 S C -0.009 174.585 174.600 -0.011 0.000 1.115 642 S CA -0.777 57.414 58.200 -0.015 0.000 1.071 642 S CB 0.171 63.365 63.200 -0.011 0.000 0.967 642 S HN 0.605 nan 8.310 nan 0.000 0.488 643 N N 2.046 120.742 118.700 -0.006 0.000 2.525 643 N HA 0.253 4.994 4.740 0.002 0.000 0.270 643 N C -0.066 175.445 175.510 0.002 0.000 1.321 643 N CA -1.016 52.032 53.050 -0.003 0.000 0.797 643 N CB 0.740 39.224 38.487 -0.005 0.000 1.529 643 N HN 0.432 nan 8.380 nan 0.000 0.491 644 N N 0.452 119.153 118.700 0.002 0.000 2.289 644 N HA -0.167 4.574 4.740 0.002 0.000 0.184 644 N C 0.854 176.368 175.510 0.007 0.000 1.016 644 N CA 0.989 54.042 53.050 0.005 0.000 0.872 644 N CB 0.370 38.859 38.487 0.004 0.000 0.973 644 N HN 0.657 nan 8.380 nan 0.000 0.433 645 E N 1.147 121.350 120.200 0.005 0.000 2.028 645 E HA -0.055 4.296 4.350 0.002 0.000 0.190 645 E C 2.065 178.671 176.600 0.010 0.000 0.984 645 E CA 0.846 57.250 56.400 0.006 0.000 0.800 645 E CB 0.018 29.721 29.700 0.004 0.000 0.758 645 E HN 0.330 nan 8.360 nan 0.000 0.448 646 A N 1.359 124.185 122.820 0.009 0.000 1.930 646 A HA -0.188 4.133 4.320 0.002 0.000 0.217 646 A C 1.836 179.432 177.584 0.020 0.000 1.175 646 A CA 1.373 53.418 52.037 0.014 0.000 0.627 646 A CB -0.556 18.450 19.000 0.009 0.000 0.815 646 A HN 0.201 nan 8.150 nan 0.000 0.443 647 N N -0.006 118.704 118.700 0.017 0.000 2.061 647 N HA -0.170 4.572 4.740 0.002 0.000 0.193 647 N C 1.566 177.089 175.510 0.022 0.000 1.030 647 N CA 1.598 54.661 53.050 0.021 0.000 0.856 647 N CB -0.620 37.876 38.487 0.016 0.000 1.023 647 N HN 0.410 nan 8.380 nan 0.000 0.424 648 L N 1.566 122.799 121.223 0.017 0.000 2.046 648 L HA -0.057 4.284 4.340 0.002 0.000 0.208 648 L C 2.380 179.261 176.870 0.019 0.000 1.077 648 L CA 1.546 56.396 54.840 0.017 0.000 0.747 648 L CB -0.656 41.411 42.059 0.013 0.000 0.896 648 L HN 0.078 nan 8.230 nan 0.000 0.432 649 R N -0.420 120.092 120.500 0.020 0.000 2.073 649 R HA -0.225 4.116 4.340 0.002 0.000 0.234 649 R C 2.355 178.671 176.300 0.028 0.000 1.134 649 R CA 1.873 57.986 56.100 0.022 0.000 0.952 649 R CB -0.396 29.917 30.300 0.022 0.000 0.850 649 R HN 0.585 nan 8.270 nan 0.000 0.433 650 E N -0.024 120.197 120.200 0.034 0.000 2.085 650 E HA -0.284 4.067 4.350 0.002 0.000 0.194 650 E C 1.770 178.392 176.600 0.037 0.000 0.994 650 E CA 1.742 58.168 56.400 0.043 0.000 0.801 650 E CB 0.002 29.735 29.700 0.055 0.000 0.743 650 E HN 0.356 nan 8.360 nan 0.000 0.453 651 E N 0.014 120.233 120.200 0.031 0.000 2.077 651 E HA -0.154 4.198 4.350 0.002 0.000 0.193 651 E C 1.958 178.575 176.600 0.028 0.000 0.989 651 E CA 1.579 57.996 56.400 0.029 0.000 0.800 651 E CB -0.186 29.529 29.700 0.025 0.000 0.746 651 E HN 0.167 nan 8.360 nan 0.000 0.452 652 V N 0.931 120.860 119.914 0.025 0.000 2.358 652 V HA -0.237 3.884 4.120 0.002 0.000 0.246 652 V C 2.500 178.608 176.094 0.024 0.000 1.047 652 V CA 1.713 64.027 62.300 0.023 0.000 1.035 652 V CB -0.569 31.265 31.823 0.019 0.000 0.658 652 V HN 0.304 nan 8.190 nan 0.000 0.452 653 L N -0.387 120.849 121.223 0.023 0.000 1.970 653 L HA -0.237 4.105 4.340 0.002 0.000 0.212 653 L C 2.632 179.515 176.870 0.022 0.000 1.071 653 L CA 1.966 56.818 54.840 0.020 0.000 0.751 653 L CB -0.828 41.244 42.059 0.022 0.000 0.889 653 L HN 0.257 nan 8.230 nan 0.000 0.432 654 K N 0.081 120.496 120.400 0.025 0.000 2.052 654 K HA -0.232 4.089 4.320 0.002 0.000 0.215 654 K C 1.904 178.522 176.600 0.030 0.000 1.053 654 K CA 2.025 58.326 56.287 0.024 0.000 0.934 654 K CB -0.362 32.153 32.500 0.025 0.000 0.717 654 K HN 0.300 nan 8.250 nan 0.000 0.450 655 N N 0.782 119.503 118.700 0.034 0.000 2.244 655 N HA -0.095 4.646 4.740 0.002 0.000 0.183 655 N C 1.787 177.326 175.510 0.048 0.000 1.016 655 N CA 0.917 53.993 53.050 0.044 0.000 0.866 655 N CB -0.188 38.326 38.487 0.046 0.000 0.980 655 N HN 0.152 nan 8.380 nan 0.000 0.430 656 L N 0.289 121.536 121.223 0.039 0.000 2.093 656 L HA -0.057 4.284 4.340 0.002 0.000 0.208 656 L C 2.319 179.225 176.870 0.059 0.000 1.085 656 L CA 0.974 55.839 54.840 0.042 0.000 0.755 656 L CB -0.418 41.655 42.059 0.023 0.000 0.904 656 L HN 0.119 nan 8.230 nan 0.000 0.435 657 A N -0.383 122.465 122.820 0.047 0.000 1.873 657 A HA -0.183 4.138 4.320 0.002 0.000 0.215 657 A C 2.341 179.984 177.584 0.100 0.000 1.186 657 A CA 2.191 54.267 52.037 0.065 0.000 0.616 657 A CB -0.941 18.077 19.000 0.030 0.000 0.823 657 A HN 0.342 nan 8.150 nan 0.000 0.442 658 T N 0.497 115.084 114.554 0.056 0.000 2.737 658 T HA -0.102 4.249 4.350 0.002 0.000 0.269 658 T C 2.080 176.785 174.700 0.008 0.000 1.040 658 T CA 1.619 63.734 62.100 0.024 0.000 1.142 658 T CB -0.399 68.476 68.868 0.013 0.000 0.861 658 T HN 0.599 nan 8.240 nan 0.000 0.456 659 A N 0.058 122.909 122.820 0.052 0.000 2.015 659 A HA -0.023 4.298 4.320 0.002 0.000 0.219 659 A C 2.022 179.672 177.584 0.109 0.000 1.163 659 A CA 1.145 53.219 52.037 0.062 0.000 0.646 659 A CB -0.770 18.281 19.000 0.085 0.000 0.806 659 A HN 0.601 nan 8.150 nan 0.000 0.448 660 Y N 1.332 121.645 120.300 0.023 0.000 2.133 660 Y HA -0.190 4.362 4.550 0.002 0.000 0.287 660 Y C 1.848 177.802 175.900 0.089 0.000 1.134 660 Y CA 1.966 60.096 58.100 0.049 0.000 1.133 660 Y CB -0.224 38.243 38.460 0.012 0.000 0.987 660 Y HN 0.342 nan 8.280 nan 0.000 0.502 661 D N 0.110 120.520 120.400 0.015 0.000 2.133 661 D HA -0.216 4.426 4.640 0.002 0.000 0.195 661 D C 1.734 177.959 176.300 -0.125 0.000 0.997 661 D CA 1.511 55.464 54.000 -0.078 0.000 0.840 661 D CB -0.486 40.316 40.800 0.004 0.000 0.947 661 D HN 0.436 nan 8.370 nan 0.000 0.452 662 N N 0.234 118.863 118.700 -0.119 0.000 2.120 662 N HA -0.150 4.591 4.740 0.002 0.000 0.188 662 N C 1.747 177.217 175.510 -0.065 0.000 1.024 662 N CA 0.406 53.357 53.050 -0.164 0.000 0.852 662 N CB -0.586 37.693 38.487 -0.346 0.000 1.003 662 N HN 0.240 nan 8.380 nan 0.000 0.424 663 F N 1.849 121.704 119.950 -0.159 0.000 2.134 663 F HA -0.139 4.390 4.527 0.002 0.000 0.299 663 F C 2.099 177.790 175.800 -0.183 0.000 1.097 663 F CA 0.837 58.759 58.000 -0.130 0.000 1.264 663 F CB -0.168 38.759 39.000 -0.120 0.000 1.001 663 F HN -0.234 nan 8.300 nan 0.000 0.479 664 V N 0.622 120.432 119.914 -0.174 0.000 2.237 664 V HA -0.309 3.812 4.120 0.002 0.000 0.245 664 V C 2.286 178.248 176.094 -0.220 0.000 1.046 664 V CA 2.389 64.547 62.300 -0.237 0.000 1.007 664 V CB -0.834 30.827 31.823 -0.270 0.000 0.638 664 V HN 0.326 nan 8.190 nan 0.000 0.445 665 E N -0.138 119.962 120.200 -0.166 0.000 2.085 665 E HA -0.232 4.119 4.350 0.002 0.000 0.194 665 E C 2.251 178.769 176.600 -0.138 0.000 0.994 665 E CA 1.475 57.800 56.400 -0.126 0.000 0.801 665 E CB -0.232 29.413 29.700 -0.093 0.000 0.743 665 E HN 0.481 nan 8.360 nan 0.000 0.453 666 L N 0.231 121.356 121.223 -0.163 0.000 1.994 666 L HA -0.206 4.136 4.340 0.002 0.000 0.208 666 L C 2.499 179.241 176.870 -0.213 0.000 1.071 666 L CA 0.842 55.593 54.840 -0.147 0.000 0.745 666 L CB -0.376 41.619 42.059 -0.107 0.000 0.892 666 L HN 0.072 nan 8.230 nan 0.000 0.431 667 V N -0.059 119.635 119.914 -0.367 0.000 2.332 667 V HA -0.342 3.779 4.120 0.002 0.000 0.248 667 V C 2.639 178.617 176.094 -0.193 0.000 1.055 667 V CA 1.953 64.047 62.300 -0.343 0.000 1.038 667 V CB -0.773 30.743 31.823 -0.511 0.000 0.651 667 V HN 0.519 nan 8.190 nan 0.000 0.450 668 A N -0.159 122.561 122.820 -0.166 0.000 1.872 668 A HA -0.161 4.160 4.320 0.002 0.000 0.214 668 A C 2.055 179.592 177.584 -0.079 0.000 1.187 668 A CA 1.610 53.585 52.037 -0.102 0.000 0.614 668 A CB -0.597 18.351 19.000 -0.087 0.000 0.826 668 A HN 0.556 nan 8.150 nan 0.000 0.442 669 N N 0.061 118.711 118.700 -0.083 0.000 2.223 669 N HA -0.072 4.669 4.740 0.002 0.000 0.185 669 N C 1.582 177.059 175.510 -0.054 0.000 1.016 669 N CA 1.101 54.113 53.050 -0.064 0.000 0.863 669 N CB -0.380 38.072 38.487 -0.057 0.000 0.983 669 N HN 0.502 nan 8.380 nan 0.000 0.429 670 L N 0.741 121.923 121.223 -0.068 0.000 2.131 670 L HA -0.026 4.315 4.340 0.002 0.000 0.206 670 L C 2.146 179.002 176.870 -0.024 0.000 1.087 670 L CA 0.898 55.708 54.840 -0.050 0.000 0.767 670 L CB -0.095 41.911 42.059 -0.087 0.000 0.917 670 L HN 0.031 nan 8.230 nan 0.000 0.441 671 K N -0.185 120.192 120.400 -0.039 0.000 2.217 671 K HA -0.205 4.116 4.320 0.002 0.000 0.202 671 K C 1.960 178.562 176.600 0.004 0.000 1.051 671 K CA 1.082 57.359 56.287 -0.017 0.000 0.952 671 K CB 0.038 32.520 32.500 -0.030 0.000 0.736 671 K HN 0.295 nan 8.250 nan 0.000 0.453 672 E N 0.327 120.522 120.200 -0.008 0.000 2.106 672 E HA -0.128 4.223 4.350 0.002 0.000 0.192 672 E C 1.966 178.581 176.600 0.026 0.000 0.984 672 E CA 1.102 57.503 56.400 0.001 0.000 0.806 672 E CB -0.045 29.640 29.700 -0.026 0.000 0.750 672 E HN 0.331 nan 8.360 nan 0.000 0.458 673 G N -0.121 108.692 108.800 0.021 0.000 2.408 673 G HA2 -0.221 3.741 3.960 0.002 0.000 0.217 673 G HA3 -0.221 3.741 3.960 0.002 0.000 0.217 673 G C 1.598 176.595 174.900 0.162 0.000 1.150 673 G CA 1.206 46.338 45.100 0.053 0.000 0.776 673 G HN 0.258 nan 8.290 nan 0.000 0.542 674 T N -0.010 114.629 114.554 0.143 0.000 2.857 674 T HA 0.017 4.368 4.350 0.002 0.000 0.266 674 T C 2.217 176.988 174.700 0.119 0.000 1.048 674 T CA 1.189 63.389 62.100 0.166 0.000 1.139 674 T CB -0.031 68.889 68.868 0.085 0.000 0.874 674 T HN 0.279 nan 8.240 nan 0.000 0.455 675 K N 0.275 120.724 120.400 0.081 0.000 2.026 675 K HA -0.087 4.234 4.320 0.002 0.000 0.208 675 K C 2.078 178.707 176.600 0.049 0.000 1.048 675 K CA 1.184 57.503 56.287 0.053 0.000 0.929 675 K CB -0.305 32.222 32.500 0.045 0.000 0.713 675 K HN 0.316 nan 8.250 nan 0.000 0.439 676 F N 0.841 120.751 119.950 -0.066 0.000 2.065 676 F HA -0.297 4.232 4.527 0.002 0.000 0.298 676 F C 1.753 177.495 175.800 -0.096 0.000 1.112 676 F CA 1.711 59.636 58.000 -0.125 0.000 1.212 676 F CB -0.789 38.065 39.000 -0.243 0.000 0.975 676 F HN 0.083 nan 8.300 nan 0.000 0.476 677 Y N 0.635 120.740 120.300 -0.326 0.000 2.207 677 Y HA -0.263 4.288 4.550 0.002 0.000 0.287 677 Y C 2.450 178.175 175.900 -0.291 0.000 1.156 677 Y CA 1.226 59.084 58.100 -0.404 0.000 1.182 677 Y CB -0.550 37.843 38.460 -0.112 0.000 0.979 677 Y HN 0.178 nan 8.280 nan 0.000 0.521 678 N N 0.144 118.830 118.700 -0.023 0.000 2.171 678 N HA -0.136 4.605 4.740 0.002 0.000 0.184 678 N C 1.566 177.028 175.510 -0.080 0.000 1.021 678 N CA 1.266 54.293 53.050 -0.038 0.000 0.854 678 N CB -0.287 38.196 38.487 -0.008 0.000 0.994 678 N HN 0.486 nan 8.380 nan 0.000 0.426 679 E N 0.418 120.554 120.200 -0.107 0.000 2.106 679 E HA -0.096 4.255 4.350 0.002 0.000 0.192 679 E C 1.780 178.296 176.600 -0.140 0.000 0.984 679 E CA 0.320 56.664 56.400 -0.094 0.000 0.806 679 E CB -0.050 29.615 29.700 -0.057 0.000 0.750 679 E HN 0.071 nan 8.360 nan 0.000 0.458 680 L N 0.801 121.850 121.223 -0.290 0.000 2.131 680 L HA -0.150 4.191 4.340 0.002 0.000 0.210 680 L C 2.048 178.803 176.870 -0.192 0.000 1.092 680 L CA 1.789 56.450 54.840 -0.299 0.000 0.759 680 L CB -0.580 41.124 42.059 -0.593 0.000 0.903 680 L HN 0.033 nan 8.230 nan 0.000 0.435 681 T N -0.527 113.937 114.554 -0.150 0.000 2.821 681 T HA -0.134 4.217 4.350 0.002 0.000 0.267 681 T C 1.631 176.281 174.700 -0.083 0.000 1.046 681 T CA 1.563 63.598 62.100 -0.108 0.000 1.139 681 T CB -0.093 68.728 68.868 -0.078 0.000 0.871 681 T HN 0.496 nan 8.240 nan 0.000 0.454 682 E N 0.434 120.595 120.200 -0.065 0.000 2.110 682 E HA -0.089 4.262 4.350 0.002 0.000 0.193 682 E C 1.954 178.541 176.600 -0.022 0.000 0.988 682 E CA 0.894 57.273 56.400 -0.035 0.000 0.804 682 E CB -0.163 29.523 29.700 -0.023 0.000 0.745 682 E HN 0.346 nan 8.360 nan 0.000 0.458 683 I N 0.768 121.322 120.570 -0.026 0.000 2.233 683 I HA -0.200 3.971 4.170 0.002 0.000 0.243 683 I C 2.146 178.243 176.117 -0.033 0.000 1.093 683 I CA 1.099 62.412 61.300 0.022 0.000 1.380 683 I CB -0.279 37.776 38.000 0.092 0.000 1.067 683 I HN 0.080 nan 8.210 nan 0.000 0.413 684 L N -0.719 120.391 121.223 -0.187 0.000 2.191 684 L HA -0.189 4.152 4.340 0.002 0.000 0.212 684 L C 2.432 179.266 176.870 -0.061 0.000 1.103 684 L CA 0.647 55.329 54.840 -0.263 0.000 0.769 684 L CB -0.476 41.386 42.059 -0.328 0.000 0.908 684 L HN 0.094 nan 8.230 nan 0.000 0.438 685 V N -0.449 119.440 119.914 -0.042 0.000 2.453 685 V HA -0.196 3.925 4.120 0.002 0.000 0.247 685 V C 2.586 178.685 176.094 0.007 0.000 1.048 685 V CA 1.424 63.713 62.300 -0.018 0.000 1.049 685 V CB -0.464 31.345 31.823 -0.023 0.000 0.672 685 V HN 0.410 nan 8.190 nan 0.000 0.457 686 R N -0.756 119.763 120.500 0.032 0.000 2.070 686 R HA -0.180 4.161 4.340 0.002 0.000 0.233 686 R C 2.279 178.629 176.300 0.084 0.000 1.137 686 R CA 1.996 58.129 56.100 0.056 0.000 0.945 686 R CB -0.722 29.625 30.300 0.078 0.000 0.845 686 R HN 0.499 nan 8.270 nan 0.000 0.430 687 F N 2.329 122.267 119.950 -0.020 0.000 2.154 687 F HA -0.279 4.249 4.527 0.002 0.000 0.301 687 F C 2.564 178.345 175.800 -0.031 0.000 1.087 687 F CA 1.827 59.828 58.000 0.001 0.000 1.274 687 F CB -0.280 38.698 39.000 -0.037 0.000 1.009 687 F HN 0.037 nan 8.300 nan 0.000 0.485 688 Q N -0.007 119.737 119.800 -0.092 0.000 2.167 688 Q HA -0.198 4.143 4.340 0.002 0.000 0.202 688 Q C 1.868 177.769 176.000 -0.166 0.000 0.970 688 Q CA 1.530 57.231 55.803 -0.170 0.000 0.855 688 Q CB -0.145 28.560 28.738 -0.056 0.000 0.911 688 Q HN 0.421 nan 8.270 nan 0.000 0.438 689 N N 0.844 119.484 118.700 -0.099 0.000 2.106 689 N HA -0.135 4.606 4.740 0.002 0.000 0.188 689 N C 1.472 176.928 175.510 -0.090 0.000 1.029 689 N CA 1.214 54.228 53.050 -0.059 0.000 0.848 689 N CB -0.171 38.303 38.487 -0.021 0.000 1.007 689 N HN 0.225 nan 8.380 nan 0.000 0.423 690 K N 0.384 120.705 120.400 -0.132 0.000 2.089 690 K HA -0.102 4.220 4.320 0.002 0.000 0.210 690 K C 2.211 178.675 176.600 -0.226 0.000 1.048 690 K CA 1.321 57.519 56.287 -0.149 0.000 0.926 690 K CB -0.271 32.136 32.500 -0.154 0.000 0.714 690 K HN 0.224 nan 8.250 nan 0.000 0.448 691 C N -0.014 119.057 119.300 -0.382 0.000 2.446 691 C HA -0.053 4.409 4.460 0.002 0.000 0.277 691 C C 2.988 177.813 174.990 -0.276 0.000 1.275 691 C CA 0.608 59.384 59.018 -0.403 0.000 1.727 691 C CB -0.623 26.813 27.740 -0.507 0.000 2.010 691 C HN 0.473 nan 8.230 nan 0.000 0.486 692 S N 0.690 116.296 115.700 -0.158 0.000 2.343 692 S HA -0.163 4.308 4.470 0.002 0.000 0.219 692 S C 1.478 176.132 174.600 0.090 0.000 1.033 692 S CA 1.718 59.916 58.200 -0.004 0.000 1.014 692 S CB -0.427 62.862 63.200 0.149 0.000 0.915 692 S HN 0.562 nan 8.310 nan 0.000 0.435 693 D N 1.176 121.622 120.400 0.077 0.000 2.127 693 D HA -0.137 4.504 4.640 0.002 0.000 0.190 693 D C 1.785 178.119 176.300 0.057 0.000 1.000 693 D CA 1.092 55.150 54.000 0.097 0.000 0.839 693 D CB -0.486 40.339 40.800 0.042 0.000 0.955 693 D HN 0.344 nan 8.370 nan 0.000 0.446 694 I N 0.203 120.762 120.570 -0.019 0.000 2.454 694 I HA -0.197 3.974 4.170 0.002 0.000 0.254 694 I C 1.731 177.844 176.117 -0.006 0.000 1.156 694 I CA 0.722 62.029 61.300 0.011 0.000 1.433 694 I CB 0.267 38.283 38.000 0.026 0.000 1.082 694 I HN -0.134 nan 8.210 nan 0.000 0.432 695 V N 0.243 120.039 119.914 -0.197 0.000 3.041 695 V HA -0.146 3.975 4.120 0.002 0.000 0.260 695 V C 1.408 177.245 176.094 -0.429 0.000 1.105 695 V CA 1.265 63.358 62.300 -0.344 0.000 1.125 695 V CB -0.486 30.961 31.823 -0.627 0.000 0.730 695 V HN 0.334 nan 8.190 nan 0.000 0.479 696 F N -0.417 119.558 119.950 0.042 0.000 2.720 696 F HA 0.418 4.946 4.527 0.002 0.000 0.301 696 F C 2.093 177.917 175.800 0.039 0.000 1.103 696 F CA 0.337 58.359 58.000 0.037 0.000 1.291 696 F CB -0.460 38.549 39.000 0.016 0.000 1.086 696 F HN 0.056 nan 8.300 nan 0.000 0.592 697 A N -0.068 122.851 122.820 0.165 0.000 2.016 697 A HA 0.042 4.363 4.320 0.002 0.000 0.217 697 A C 1.770 179.407 177.584 0.088 0.000 1.162 697 A CA 0.397 52.500 52.037 0.109 0.000 0.662 697 A CB -0.176 18.871 19.000 0.077 0.000 0.812 697 A HN -0.046 nan 8.150 nan 0.000 0.450 698 R N 0.000 120.555 120.500 0.092 0.000 2.786 698 R HA 0.000 4.341 4.340 0.002 0.000 0.208 698 R CA 0.000 56.152 56.100 0.087 0.000 0.921 698 R CB 0.000 30.360 30.300 0.101 0.000 0.687 698 R HN 0.000 nan 8.270 nan 0.000 0.535