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 2r05_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 0.000 177.673 177.584 0.148 0.000 1.274 2 A CA 0.000 52.112 52.037 0.125 0.000 0.836 2 A CB 0.000 19.151 19.000 0.252 0.000 0.831 3 T N 1.792 116.363 114.554 0.029 0.000 3.109 3 T HA 0.715 5.065 4.350 0.001 0.000 0.311 3 T C -1.706 172.921 174.700 -0.122 0.000 1.011 3 T CA -0.173 61.961 62.100 0.058 0.000 1.026 3 T CB 0.096 68.980 68.868 0.027 0.000 1.047 3 T HN 0.717 nan 8.240 nan 0.000 0.448 4 F N 3.420 123.425 119.950 0.093 0.000 2.588 4 F HA 0.643 5.170 4.527 -0.000 0.000 0.314 4 F C 0.234 176.105 175.800 0.119 0.000 1.069 4 F CA -1.211 56.855 58.000 0.110 0.000 0.931 4 F CB 1.734 40.847 39.000 0.189 0.000 1.260 4 F HN 0.440 nan 8.300 nan 0.000 0.465 5 I N 2.258 123.003 120.570 0.293 0.000 2.441 5 I HA 0.315 4.485 4.170 0.001 0.000 0.287 5 I C -0.020 176.260 176.117 0.270 0.000 1.049 5 I CA -0.031 61.396 61.300 0.212 0.000 1.381 5 I CB 0.861 38.944 38.000 0.139 0.000 1.409 5 I HN 0.623 nan 8.210 nan 0.000 0.523 6 S N 5.318 121.156 115.700 0.230 0.000 2.677 6 S HA 0.780 5.250 4.470 0.001 0.000 0.304 6 S C -0.651 174.078 174.600 0.216 0.000 1.108 6 S CA -0.856 57.481 58.200 0.229 0.000 0.944 6 S CB 2.158 65.472 63.200 0.190 0.000 1.127 6 S HN 0.272 nan 8.310 nan 0.000 0.511 7 V N 1.633 121.689 119.914 0.237 0.000 2.581 7 V HA 0.460 4.581 4.120 0.001 0.000 0.303 7 V C -0.269 175.990 176.094 0.275 0.000 1.041 7 V CA -0.816 61.671 62.300 0.311 0.000 0.907 7 V CB 1.665 33.697 31.823 0.347 0.000 0.994 7 V HN 0.822 nan 8.190 nan 0.000 0.442 8 Q N 2.498 122.496 119.800 0.330 0.000 2.306 8 Q HA 0.481 4.822 4.340 0.001 0.000 0.241 8 Q C -0.424 175.741 176.000 0.275 0.000 0.948 8 Q CA -0.316 55.639 55.803 0.253 0.000 0.886 8 Q CB 1.653 30.529 28.738 0.230 0.000 1.227 8 Q HN 0.563 nan 8.270 nan 0.000 0.457 9 L N 1.617 122.968 121.223 0.212 0.000 2.439 9 L HA 0.148 4.488 4.340 0.001 0.000 0.269 9 L C 0.671 177.659 176.870 0.197 0.000 1.179 9 L CA 0.030 55.012 54.840 0.236 0.000 0.828 9 L CB 0.100 42.265 42.059 0.177 0.000 1.106 9 L HN 0.290 nan 8.230 nan 0.000 0.467 10 K N 2.240 122.769 120.400 0.215 0.000 2.298 10 K HA 0.238 4.558 4.320 0.001 0.000 0.280 10 K C -0.598 176.168 176.600 0.277 0.000 1.032 10 K CA -0.407 55.984 56.287 0.174 0.000 0.958 10 K CB 0.782 33.349 32.500 0.112 0.000 0.978 10 K HN 0.383 nan 8.250 nan 0.000 0.472 11 K N 1.473 121.966 120.400 0.155 0.000 2.143 11 K HA 0.243 4.563 4.320 0.001 0.000 0.272 11 K C -0.464 176.055 176.600 -0.133 0.000 1.001 11 K CA -0.385 55.915 56.287 0.022 0.000 0.915 11 K CB 1.450 33.951 32.500 0.002 0.000 1.047 11 K HN 0.531 nan 8.250 nan 0.000 0.458 12 T N -0.298 114.000 114.554 -0.426 0.000 2.924 12 T HA 0.326 4.677 4.350 0.001 0.000 0.291 12 T C -0.365 174.102 174.700 -0.388 0.000 1.045 12 T CA -1.153 60.503 62.100 -0.741 0.000 1.015 12 T CB 1.532 69.611 68.868 -1.315 0.000 1.103 12 T HN 0.571 nan 8.240 nan 0.000 0.496 13 S N 0.923 116.438 115.700 -0.309 0.000 2.586 13 S HA 0.388 4.858 4.470 0.001 0.000 0.274 13 S C -0.025 174.469 174.600 -0.177 0.000 1.281 13 S CA -1.184 56.907 58.200 -0.181 0.000 1.035 13 S CB 0.259 63.393 63.200 -0.110 0.000 0.962 13 S HN 0.822 nan 8.310 nan 0.000 0.512 14 E N 0.528 120.656 120.200 -0.121 0.000 2.360 14 E HA 0.446 4.796 4.350 0.001 0.000 0.269 14 E C -0.280 176.287 176.600 -0.054 0.000 1.022 14 E CA -1.073 55.274 56.400 -0.089 0.000 0.887 14 E CB 0.494 30.153 29.700 -0.069 0.000 0.990 14 E HN 0.539 nan 8.360 nan 0.000 0.426 15 V N -0.708 119.192 119.914 -0.023 0.000 2.789 15 V HA 0.307 4.428 4.120 0.001 0.000 0.311 15 V C -0.566 175.536 176.094 0.014 0.000 1.073 15 V CA -1.323 60.971 62.300 -0.010 0.000 0.921 15 V CB 1.919 33.733 31.823 -0.015 0.000 1.009 15 V HN 0.691 nan 8.190 nan 0.000 0.426 16 D N 2.738 123.137 120.400 -0.001 0.000 2.348 16 D HA 0.246 4.886 4.640 0.001 0.000 0.259 16 D C 0.907 177.226 176.300 0.030 0.000 1.296 16 D CA 0.300 54.309 54.000 0.016 0.000 0.931 16 D CB 1.005 41.807 40.800 0.004 0.000 1.067 16 D HN 0.663 nan 8.370 nan 0.000 0.503 17 L N 3.283 124.551 121.223 0.074 0.000 2.072 17 L HA -0.108 4.233 4.340 0.001 0.000 0.205 17 L C 2.439 179.347 176.870 0.062 0.000 1.079 17 L CA 0.976 55.877 54.840 0.102 0.000 0.752 17 L CB -0.285 41.877 42.059 0.173 0.000 0.906 17 L HN 0.441 nan 8.230 nan 0.000 0.436 18 A N 0.513 123.378 122.820 0.074 0.000 1.859 18 A HA -0.265 4.056 4.320 0.001 0.000 0.217 18 A C 2.307 179.927 177.584 0.060 0.000 1.198 18 A CA 2.057 54.142 52.037 0.081 0.000 0.629 18 A CB -0.414 18.638 19.000 0.086 0.000 0.830 18 A HN 0.336 nan 8.150 nan 0.000 0.446 19 K N -0.855 119.571 120.400 0.043 0.000 2.103 19 K HA -0.036 4.285 4.320 0.001 0.000 0.204 19 K C -0.730 175.890 176.600 0.033 0.000 1.052 19 K CA 1.131 57.442 56.287 0.041 0.000 0.945 19 K CB -0.815 31.703 32.500 0.029 0.000 0.722 19 K HN 0.456 nan 8.250 nan 0.000 0.443 20 P HA -0.140 nan 4.420 nan 0.000 0.218 20 P C 1.381 178.679 177.300 -0.005 0.000 1.149 20 P CA 1.227 64.327 63.100 0.000 0.000 0.817 20 P CB 0.028 31.712 31.700 -0.027 0.000 0.785 21 L N -1.008 120.184 121.223 -0.052 0.000 2.109 21 L HA -0.068 4.273 4.340 0.001 0.000 0.207 21 L C 2.689 179.621 176.870 0.102 0.000 1.086 21 L CA 0.846 55.597 54.840 -0.148 0.000 0.760 21 L CB -0.867 40.941 42.059 -0.417 0.000 0.910 21 L HN -0.182 nan 8.230 nan 0.000 0.437 22 V N 0.075 120.064 119.914 0.124 0.000 2.407 22 V HA -0.285 3.835 4.120 0.001 0.000 0.248 22 V C 2.504 178.698 176.094 0.167 0.000 1.055 22 V CA 1.638 64.044 62.300 0.177 0.000 1.049 22 V CB -0.427 31.477 31.823 0.135 0.000 0.662 22 V HN 0.401 nan 8.190 nan 0.000 0.455 23 K N -0.875 119.604 120.400 0.132 0.000 2.074 23 K HA -0.252 4.069 4.320 0.001 0.000 0.209 23 K C 2.065 178.756 176.600 0.153 0.000 1.048 23 K CA 2.232 58.589 56.287 0.118 0.000 0.926 23 K CB -0.357 32.198 32.500 0.091 0.000 0.713 23 K HN 0.495 nan 8.250 nan 0.000 0.444 24 F N 1.584 121.576 119.950 0.070 0.000 2.084 24 F HA -0.134 4.394 4.527 0.001 0.000 0.296 24 F C 1.930 177.820 175.800 0.150 0.000 1.111 24 F CA 1.173 59.227 58.000 0.091 0.000 1.224 24 F CB -0.304 38.761 39.000 0.108 0.000 0.991 24 F HN -0.123 nan 8.300 nan 0.000 0.471 25 I N 0.628 121.359 120.570 0.268 0.000 2.143 25 I HA -0.428 3.742 4.170 0.001 0.000 0.245 25 I C 2.415 178.603 176.117 0.119 0.000 1.068 25 I CA 2.072 63.528 61.300 0.260 0.000 1.326 25 I CB -0.738 37.544 38.000 0.469 0.000 1.028 25 I HN 0.326 nan 8.210 nan 0.000 0.412 26 Q N -0.116 119.743 119.800 0.099 0.000 2.167 26 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 26 Q C 2.093 178.084 176.000 -0.016 0.000 0.970 26 Q CA 1.078 56.926 55.803 0.074 0.000 0.855 26 Q CB -0.084 28.702 28.738 0.079 0.000 0.911 26 Q HN 0.576 nan 8.270 nan 0.000 0.438 27 Q N -0.692 119.046 119.800 -0.103 0.000 2.472 27 Q HA -0.033 4.308 4.340 0.001 0.000 0.208 27 Q C 1.124 176.953 176.000 -0.284 0.000 0.958 27 Q CA 1.022 56.734 55.803 -0.152 0.000 0.932 27 Q CB 0.483 29.148 28.738 -0.121 0.000 1.007 27 Q HN 0.304 nan 8.270 nan 0.000 0.508 28 T N -1.352 112.950 114.554 -0.420 0.000 3.042 28 T HA 0.086 4.436 4.350 0.001 0.000 0.245 28 T C -0.172 174.186 174.700 -0.570 0.000 1.029 28 T CA 0.471 62.188 62.100 -0.639 0.000 1.120 28 T CB 0.193 68.441 68.868 -1.034 0.000 0.917 28 T HN 0.072 nan 8.240 nan 0.000 0.467 29 Y N 1.343 121.595 120.300 -0.080 0.000 2.549 29 Y HA 0.455 5.005 4.550 0.001 0.000 0.339 29 Y C -2.368 173.533 175.900 0.002 0.000 1.053 29 Y CA -2.958 55.139 58.100 -0.005 0.000 1.105 29 Y CB 0.870 39.369 38.460 0.064 0.000 1.258 29 Y HN -0.136 nan 8.280 nan 0.000 0.478 30 P HA 0.005 nan 4.420 nan 0.000 0.265 30 P C -0.578 176.774 177.300 0.087 0.000 1.222 30 P CA -0.095 63.065 63.100 0.100 0.000 0.767 30 P CB 0.462 32.214 31.700 0.086 0.000 0.801 31 S N 2.020 117.759 115.700 0.066 0.000 2.544 31 S HA 0.334 4.804 4.470 0.001 0.000 0.290 31 S C 1.286 175.911 174.600 0.041 0.000 1.276 31 S CA 0.260 58.494 58.200 0.056 0.000 1.075 31 S CB -0.329 62.900 63.200 0.047 0.000 0.849 31 S HN 0.958 nan 8.310 nan 0.000 0.494 32 G N 1.868 110.689 108.800 0.036 0.000 2.132 32 G HA2 0.047 4.007 3.960 0.001 0.000 0.228 32 G HA3 0.047 4.007 3.960 0.001 0.000 0.228 32 G C 0.285 175.190 174.900 0.009 0.000 1.000 32 G CA -0.238 44.874 45.100 0.020 0.000 0.693 32 G HN 1.391 nan 8.290 nan 0.000 0.515 33 G N -1.410 107.395 108.800 0.009 0.000 2.568 33 G HA2 0.648 4.609 3.960 0.001 0.000 0.313 33 G HA3 0.648 4.609 3.960 0.001 0.000 0.313 33 G C 0.457 175.324 174.900 -0.055 0.000 1.227 33 G CA 0.491 45.583 45.100 -0.013 0.000 0.979 33 G HN 0.203 nan 8.290 nan 0.000 0.486 34 E N -0.505 119.643 120.200 -0.086 0.000 2.106 34 E HA -0.126 4.224 4.350 0.001 0.000 0.192 34 E C 1.523 177.963 176.600 -0.267 0.000 0.984 34 E CA 0.841 57.152 56.400 -0.149 0.000 0.806 34 E CB 0.117 29.738 29.700 -0.132 0.000 0.750 34 E HN 0.627 nan 8.360 nan 0.000 0.458 35 E N -0.113 119.936 120.200 -0.252 0.000 2.438 35 E HA -0.097 4.253 4.350 0.001 0.000 0.192 35 E C 1.284 177.664 176.600 -0.366 0.000 1.110 35 E CA 0.131 56.276 56.400 -0.424 0.000 0.893 35 E CB 0.223 29.724 29.700 -0.332 0.000 0.990 35 E HN 0.223 nan 8.360 nan 0.000 0.490 36 Q N -2.004 117.674 119.800 -0.203 0.000 2.024 36 Q HA 0.132 4.473 4.340 0.001 0.000 0.227 36 Q C 1.455 177.441 176.000 -0.023 0.000 0.720 36 Q CA 0.581 56.397 55.803 0.021 0.000 0.884 36 Q CB 0.078 28.876 28.738 0.101 0.000 1.212 36 Q HN 0.238 nan 8.270 nan 0.000 0.450 37 A N 1.294 124.045 122.820 -0.116 0.000 1.855 37 A HA -0.133 4.188 4.320 0.001 0.000 0.215 37 A C 1.873 179.376 177.584 -0.134 0.000 1.191 37 A CA 1.379 53.359 52.037 -0.096 0.000 0.613 37 A CB -0.479 18.461 19.000 -0.099 0.000 0.829 37 A HN 0.417 nan 8.150 nan 0.000 0.442 38 Q N -1.726 117.902 119.800 -0.287 0.000 2.369 38 Q HA -0.105 4.236 4.340 0.001 0.000 0.206 38 Q C 1.535 177.406 176.000 -0.215 0.000 0.963 38 Q CA 1.121 56.745 55.803 -0.299 0.000 0.894 38 Q CB -0.125 28.373 28.738 -0.400 0.000 0.965 38 Q HN 0.916 nan 8.270 nan 0.000 0.475 39 Y N -2.142 118.145 120.300 -0.023 0.000 2.448 39 Y HA -0.127 4.423 4.550 0.001 0.000 0.289 39 Y C 2.395 178.389 175.900 0.156 0.000 1.114 39 Y CA -0.153 57.991 58.100 0.074 0.000 1.235 39 Y CB 0.191 38.777 38.460 0.210 0.000 1.045 39 Y HN 0.169 nan 8.280 nan 0.000 0.554 40 C N -0.027 119.414 119.300 0.235 0.000 2.475 40 C HA -0.070 4.391 4.460 0.001 0.000 0.279 40 C C 2.543 177.605 174.990 0.119 0.000 1.322 40 C CA 0.620 59.751 59.018 0.189 0.000 1.734 40 C CB -0.852 26.969 27.740 0.135 0.000 2.005 40 C HN 0.485 nan 8.230 nan 0.000 0.495 41 R N 1.305 121.836 120.500 0.052 0.000 2.152 41 R HA -0.059 4.281 4.340 0.001 0.000 0.232 41 R C 2.245 178.541 176.300 -0.006 0.000 1.117 41 R CA 1.509 57.615 56.100 0.011 0.000 0.981 41 R CB -0.310 29.970 30.300 -0.033 0.000 0.870 41 R HN 0.556 nan 8.270 nan 0.000 0.451 42 A N 1.007 123.795 122.820 -0.053 0.000 1.874 42 A HA 0.074 4.394 4.320 0.001 0.000 0.214 42 A C 2.294 179.946 177.584 0.114 0.000 1.189 42 A CA 1.131 53.028 52.037 -0.233 0.000 0.615 42 A CB -0.580 17.875 19.000 -0.908 0.000 0.830 42 A HN 0.328 nan 8.150 nan 0.000 0.443 43 A N -0.680 122.366 122.820 0.377 0.000 2.125 43 A HA -0.078 4.242 4.320 0.001 0.000 0.219 43 A C 1.859 179.604 177.584 0.267 0.000 1.156 43 A CA 1.944 54.274 52.037 0.488 0.000 0.671 43 A CB -0.321 18.917 19.000 0.397 0.000 0.794 43 A HN 0.561 nan 8.150 nan 0.000 0.459 44 E N -0.510 119.800 120.200 0.184 0.000 2.140 44 E HA -0.047 4.303 4.350 0.001 0.000 0.191 44 E C 1.926 178.596 176.600 0.117 0.000 0.973 44 E CA 0.897 57.373 56.400 0.126 0.000 0.829 44 E CB -0.087 29.666 29.700 0.089 0.000 0.781 44 E HN 0.697 nan 8.360 nan 0.000 0.466 45 E N -0.118 120.151 120.200 0.115 0.000 2.204 45 E HA -0.177 4.174 4.350 0.001 0.000 0.194 45 E C 1.888 178.584 176.600 0.160 0.000 0.989 45 E CA 0.626 57.090 56.400 0.105 0.000 0.824 45 E CB 0.027 29.769 29.700 0.070 0.000 0.756 45 E HN 0.217 nan 8.360 nan 0.000 0.477 46 L N 0.465 121.833 121.223 0.241 0.000 2.056 46 L HA -0.115 4.226 4.340 0.001 0.000 0.207 46 L C 2.371 179.386 176.870 0.241 0.000 1.078 46 L CA 2.043 57.073 54.840 0.316 0.000 0.749 46 L CB -0.721 41.603 42.059 0.442 0.000 0.901 46 L HN 0.059 nan 8.230 nan 0.000 0.433 47 S N -0.732 115.076 115.700 0.181 0.000 2.368 47 S HA -0.254 4.217 4.470 0.001 0.000 0.224 47 S C 2.196 176.834 174.600 0.064 0.000 1.029 47 S CA 1.592 59.864 58.200 0.120 0.000 0.988 47 S CB -0.338 62.920 63.200 0.098 0.000 0.838 47 S HN 0.579 nan 8.310 nan 0.000 0.462 48 K N 0.207 120.647 120.400 0.066 0.000 2.026 48 K HA -0.088 4.233 4.320 0.001 0.000 0.208 48 K C 2.175 178.783 176.600 0.014 0.000 1.048 48 K CA 1.536 57.844 56.287 0.035 0.000 0.929 48 K CB -0.443 32.084 32.500 0.044 0.000 0.713 48 K HN 0.377 nan 8.250 nan 0.000 0.439 49 L N 1.841 123.094 121.223 0.051 0.000 2.042 49 L HA -0.148 4.192 4.340 0.001 0.000 0.210 49 L C 2.524 179.308 176.870 -0.145 0.000 1.076 49 L CA 1.710 56.573 54.840 0.039 0.000 0.749 49 L CB -0.547 41.617 42.059 0.176 0.000 0.893 49 L HN 0.200 nan 8.230 nan 0.000 0.432 50 R N -0.777 119.561 120.500 -0.270 0.000 2.105 50 R HA -0.184 4.157 4.340 0.001 0.000 0.239 50 R C 2.467 178.566 176.300 -0.335 0.000 1.135 50 R CA 1.612 57.328 56.100 -0.639 0.000 0.967 50 R CB -0.166 29.919 30.300 -0.358 0.000 0.861 50 R HN 0.373 nan 8.270 nan 0.000 0.442 51 R N -0.505 119.898 120.500 -0.162 0.000 2.075 51 R HA -0.062 4.279 4.340 0.001 0.000 0.232 51 R C 2.213 178.457 176.300 -0.094 0.000 1.126 51 R CA 1.370 57.407 56.100 -0.106 0.000 0.963 51 R CB -0.216 30.050 30.300 -0.055 0.000 0.858 51 R HN 0.247 nan 8.270 nan 0.000 0.435 52 A N 0.451 123.224 122.820 -0.079 0.000 2.066 52 A HA 0.007 4.328 4.320 0.001 0.000 0.218 52 A C 2.060 179.612 177.584 -0.054 0.000 1.157 52 A CA 1.454 53.462 52.037 -0.048 0.000 0.670 52 A CB -0.177 18.812 19.000 -0.018 0.000 0.804 52 A HN 0.391 nan 8.150 nan 0.000 0.453 53 A N -1.857 120.896 122.820 -0.111 0.000 2.147 53 A HA 0.442 4.763 4.320 0.001 0.000 0.211 53 A C 1.527 179.087 177.584 -0.040 0.000 1.160 53 A CA 1.393 53.384 52.037 -0.077 0.000 0.781 53 A CB 0.216 19.131 19.000 -0.142 0.000 0.842 53 A HN 0.517 nan 8.150 nan 0.000 0.475 54 V N -2.774 117.089 119.914 -0.085 0.000 3.157 54 V HA 0.104 4.225 4.120 0.001 0.000 0.253 54 V C 2.145 178.176 176.094 -0.105 0.000 1.637 54 V CA 0.649 62.909 62.300 -0.067 0.000 1.058 54 V CB 0.031 31.782 31.823 -0.118 0.000 0.917 54 V HN 0.435 nan 8.190 nan 0.000 0.417 55 G N 1.984 110.720 108.800 -0.105 0.000 2.470 55 G HA2 -0.100 3.861 3.960 0.001 0.000 0.220 55 G HA3 -0.100 3.861 3.960 0.001 0.000 0.220 55 G C 0.599 175.460 174.900 -0.064 0.000 1.121 55 G CA 0.862 45.906 45.100 -0.093 0.000 0.766 55 G HN 0.595 nan 8.290 nan 0.000 0.553 56 R N -0.330 120.144 120.500 -0.043 0.000 2.510 56 R HA 0.449 4.789 4.340 0.001 0.000 0.287 56 R C -3.239 173.060 176.300 -0.002 0.000 1.084 56 R CA -2.101 53.986 56.100 -0.022 0.000 0.934 56 R CB 0.608 30.898 30.300 -0.016 0.000 1.201 56 R HN -0.159 nan 8.270 nan 0.000 0.431 57 P HA 0.186 nan 4.420 nan 0.000 0.271 57 P C -0.663 176.653 177.300 0.027 0.000 1.380 57 P CA -0.133 62.986 63.100 0.031 0.000 0.992 57 P CB 0.757 32.484 31.700 0.045 0.000 1.230 58 L N 0.541 121.778 121.223 0.023 0.000 3.485 58 L HA 0.261 4.602 4.340 0.001 0.000 0.175 58 L C 0.829 177.713 176.870 0.022 0.000 1.195 58 L CA -0.358 54.494 54.840 0.021 0.000 0.874 58 L CB -0.463 41.604 42.059 0.013 0.000 1.680 58 L HN 0.196 nan 8.230 nan 0.000 0.599 59 D N 1.538 121.949 120.400 0.019 0.000 2.390 59 D HA -0.012 4.628 4.640 0.001 0.000 0.236 59 D C 0.055 176.368 176.300 0.021 0.000 1.189 59 D CA 0.904 54.918 54.000 0.022 0.000 0.887 59 D CB 0.983 41.795 40.800 0.019 0.000 1.198 59 D HN 0.106 nan 8.370 nan 0.000 0.444 60 K N 1.219 121.639 120.400 0.034 0.000 2.932 60 K HA 0.069 4.389 4.320 0.001 0.000 0.194 60 K C -0.820 175.802 176.600 0.036 0.000 1.132 60 K CA -0.399 55.900 56.287 0.019 0.000 1.071 60 K CB 0.245 32.764 32.500 0.032 0.000 0.727 60 K HN 0.469 nan 8.250 nan 0.000 0.441 61 H N -1.094 117.943 119.070 -0.056 0.000 3.038 61 H HA 0.231 4.788 4.556 0.001 0.000 0.289 61 H C 0.167 175.446 175.328 -0.081 0.000 1.510 61 H CA -0.386 55.620 56.048 -0.069 0.000 1.227 61 H CB 1.714 31.449 29.762 -0.045 0.000 1.880 61 H HN -0.012 nan 8.280 nan 0.000 0.594 62 E N -0.195 120.044 120.200 0.065 0.000 2.409 62 E HA -0.045 4.305 4.350 0.001 0.000 0.198 62 E C 1.763 178.376 176.600 0.021 0.000 1.024 62 E CA 0.887 57.284 56.400 -0.004 0.000 0.861 62 E CB -0.033 29.695 29.700 0.046 0.000 0.788 62 E HN 0.694 nan 8.360 nan 0.000 0.521 63 G N 1.139 109.973 108.800 0.057 0.000 2.480 63 G HA2 -0.313 3.648 3.960 0.001 0.000 0.216 63 G HA3 -0.313 3.648 3.960 0.001 0.000 0.216 63 G C 1.619 176.528 174.900 0.015 0.000 1.200 63 G CA 0.826 45.945 45.100 0.031 0.000 0.782 63 G HN 0.377 nan 8.290 nan 0.000 0.554 64 A N -0.136 122.691 122.820 0.012 0.000 2.066 64 A HA 0.197 4.518 4.320 0.001 0.000 0.218 64 A C 2.299 179.873 177.584 -0.017 0.000 1.157 64 A CA 1.509 53.547 52.037 0.003 0.000 0.670 64 A CB -0.278 18.724 19.000 0.005 0.000 0.804 64 A HN 0.418 nan 8.150 nan 0.000 0.453 65 L N -0.081 121.110 121.223 -0.054 0.000 2.005 65 L HA -0.095 4.246 4.340 0.001 0.000 0.207 65 L C 2.143 178.970 176.870 -0.072 0.000 1.072 65 L CA 2.171 56.951 54.840 -0.101 0.000 0.744 65 L CB -0.678 41.259 42.059 -0.203 0.000 0.895 65 L HN 0.330 nan 8.230 nan 0.000 0.433 66 E N -0.560 119.611 120.200 -0.049 0.000 2.130 66 E HA -0.222 4.129 4.350 0.001 0.000 0.196 66 E C 2.111 178.730 176.600 0.031 0.000 0.998 66 E CA 1.834 58.224 56.400 -0.017 0.000 0.806 66 E CB -0.584 29.117 29.700 0.002 0.000 0.738 66 E HN 0.539 nan 8.360 nan 0.000 0.459 67 T N 1.703 116.281 114.554 0.041 0.000 2.720 67 T HA -0.122 4.229 4.350 0.001 0.000 0.268 67 T C 2.068 176.836 174.700 0.113 0.000 1.037 67 T CA 0.779 62.923 62.100 0.074 0.000 1.144 67 T CB -0.233 68.665 68.868 0.050 0.000 0.864 67 T HN 0.092 nan 8.240 nan 0.000 0.444 68 L N 0.307 121.582 121.223 0.086 0.000 2.017 68 L HA -0.069 4.271 4.340 0.001 0.000 0.208 68 L C 2.406 179.371 176.870 0.159 0.000 1.073 68 L CA 1.236 56.157 54.840 0.134 0.000 0.745 68 L CB -0.385 41.718 42.059 0.073 0.000 0.894 68 L HN 0.294 nan 8.230 nan 0.000 0.432 69 L N -1.143 120.122 121.223 0.069 0.000 2.017 69 L HA -0.249 4.092 4.340 0.001 0.000 0.208 69 L C 2.766 179.681 176.870 0.074 0.000 1.073 69 L CA 1.194 56.065 54.840 0.053 0.000 0.745 69 L CB -0.638 41.395 42.059 -0.043 0.000 0.894 69 L HN 0.215 nan 8.230 nan 0.000 0.432 70 R N -0.686 119.872 120.500 0.096 0.000 2.096 70 R HA -0.262 4.078 4.340 0.001 0.000 0.240 70 R C 2.385 178.790 176.300 0.175 0.000 1.139 70 R CA 2.351 58.538 56.100 0.145 0.000 0.952 70 R CB -0.567 29.853 30.300 0.199 0.000 0.854 70 R HN 0.351 nan 8.270 nan 0.000 0.436 71 Y N -0.362 119.993 120.300 0.092 0.000 2.163 71 Y HA -0.327 4.224 4.550 0.001 0.000 0.288 71 Y C 2.215 178.152 175.900 0.061 0.000 1.136 71 Y CA 1.742 59.899 58.100 0.095 0.000 1.147 71 Y CB -0.395 38.124 38.460 0.100 0.000 0.987 71 Y HN 0.109 nan 8.280 nan 0.000 0.509 72 Y N 1.592 121.803 120.300 -0.150 0.000 2.081 72 Y HA -0.348 4.203 4.550 0.001 0.000 0.280 72 Y C 2.152 177.872 175.900 -0.300 0.000 1.163 72 Y CA 2.312 60.259 58.100 -0.254 0.000 1.135 72 Y CB -0.702 37.677 38.460 -0.135 0.000 0.970 72 Y HN 0.222 nan 8.280 nan 0.000 0.498 73 D N -0.521 119.687 120.400 -0.320 0.000 2.117 73 D HA -0.182 4.459 4.640 0.001 0.000 0.197 73 D C 2.105 178.120 176.300 -0.476 0.000 0.987 73 D CA 1.487 55.118 54.000 -0.615 0.000 0.829 73 D CB -0.374 39.730 40.800 -1.159 0.000 0.961 73 D HN 0.394 nan 8.370 nan 0.000 0.460 74 Q N 0.150 119.840 119.800 -0.183 0.000 2.046 74 Q HA -0.052 4.289 4.340 0.001 0.000 0.200 74 Q C 2.113 178.064 176.000 -0.082 0.000 0.975 74 Q CA 0.726 56.610 55.803 0.135 0.000 0.836 74 Q CB -0.287 28.623 28.738 0.288 0.000 0.896 74 Q HN 0.170 nan 8.270 nan 0.000 0.428 75 I N -0.058 120.296 120.570 -0.359 0.000 2.264 75 I HA -0.321 3.850 4.170 0.001 0.000 0.248 75 I C 2.010 177.897 176.117 -0.383 0.000 1.111 75 I CA 1.019 62.056 61.300 -0.438 0.000 1.382 75 I CB -0.917 36.663 38.000 -0.701 0.000 1.060 75 I HN 0.350 nan 8.210 nan 0.000 0.418 76 C N 0.139 119.156 119.300 -0.471 0.000 2.432 76 C HA -0.075 4.386 4.460 0.001 0.000 0.280 76 C C 2.956 177.842 174.990 -0.175 0.000 1.353 76 C CA 0.834 59.623 59.018 -0.381 0.000 1.766 76 C CB -1.001 26.428 27.740 -0.518 0.000 1.924 76 C HN 0.493 nan 8.230 nan 0.000 0.509 77 S N 0.749 116.399 115.700 -0.083 0.000 2.436 77 S HA 0.019 4.490 4.470 0.001 0.000 0.228 77 S C 1.538 176.166 174.600 0.047 0.000 1.014 77 S CA 0.744 58.977 58.200 0.056 0.000 0.950 77 S CB -0.193 63.151 63.200 0.240 0.000 0.784 77 S HN 0.504 nan 8.310 nan 0.000 0.504 78 I N 1.984 122.559 120.570 0.009 0.000 2.353 78 I HA -0.095 4.075 4.170 0.001 0.000 0.248 78 I C 2.406 178.627 176.117 0.174 0.000 1.119 78 I CA 0.990 62.323 61.300 0.055 0.000 1.417 78 I CB -0.275 37.739 38.000 0.023 0.000 1.078 78 I HN 0.269 nan 8.210 nan 0.000 0.421 79 E N 0.958 121.197 120.200 0.064 0.000 2.086 79 E HA -0.228 4.123 4.350 0.001 0.000 0.200 79 E C -0.711 175.994 176.600 0.175 0.000 1.012 79 E CA 1.737 58.208 56.400 0.118 0.000 0.812 79 E CB -0.703 28.966 29.700 -0.052 0.000 0.743 79 E HN 0.336 nan 8.360 nan 0.000 0.453 80 P HA -0.072 nan 4.420 nan 0.000 0.236 80 P C 0.142 177.422 177.300 -0.033 0.000 1.177 80 P CA 0.754 63.867 63.100 0.022 0.000 0.773 80 P CB 0.224 31.930 31.700 0.009 0.000 0.878 81 K N 0.778 121.131 120.400 -0.079 0.000 3.237 81 K HA 0.117 4.437 4.320 0.001 0.000 0.182 81 K C 1.025 177.417 176.600 -0.346 0.000 1.145 81 K CA -0.424 55.689 56.287 -0.290 0.000 1.470 81 K CB -1.477 30.683 32.500 -0.567 0.000 2.031 81 K HN 0.004 nan 8.250 nan 0.000 0.521 82 F N 2.766 122.523 119.950 -0.321 0.000 2.377 82 F HA -0.099 4.428 4.527 0.001 0.000 0.407 82 F C -1.677 173.570 175.800 -0.922 0.000 0.934 82 F CA -0.864 56.632 58.000 -0.839 0.000 1.162 82 F CB -0.879 37.574 39.000 -0.911 0.000 0.882 82 F HN 0.186 nan 8.300 nan 0.000 0.553 83 P HA 0.086 nan 4.420 nan 0.000 0.268 83 P C -0.199 176.819 177.300 -0.469 0.000 1.485 83 P CA 0.375 63.188 63.100 -0.477 0.000 1.102 83 P CB -0.202 31.281 31.700 -0.362 0.000 1.501 84 F N 0.407 120.316 119.950 -0.068 0.000 2.374 84 F HA -0.042 4.485 4.527 0.001 0.000 0.291 84 F C 2.075 177.865 175.800 -0.018 0.000 1.084 84 F CA 0.492 58.477 58.000 -0.026 0.000 1.413 84 F CB -0.475 38.528 39.000 0.005 0.000 1.099 84 F HN 0.150 nan 8.300 nan 0.000 0.534 85 S N 0.242 116.033 115.700 0.152 0.000 3.120 85 S HA 0.045 4.516 4.470 0.001 0.000 0.259 85 S C 0.155 174.773 174.600 0.029 0.000 1.191 85 S CA 0.251 58.497 58.200 0.077 0.000 1.257 85 S CB -0.684 62.549 63.200 0.055 0.000 0.964 85 S HN 0.403 nan 8.310 nan 0.000 0.473 86 E N 0.699 120.911 120.200 0.020 0.000 3.706 86 E HA 0.202 4.552 4.350 0.001 0.000 0.253 86 E C -1.262 175.335 176.600 -0.005 0.000 1.109 86 E CA -0.295 56.102 56.400 -0.005 0.000 1.337 86 E CB -0.378 29.303 29.700 -0.032 0.000 1.235 86 E HN 0.478 nan 8.360 nan 0.000 0.391 87 N N 1.594 120.305 118.700 0.019 0.000 1.801 87 N HA -0.173 4.567 4.740 0.001 0.000 0.315 87 N C 0.439 175.951 175.510 0.003 0.000 1.326 87 N CA 1.131 54.194 53.050 0.021 0.000 0.840 87 N CB 0.168 38.670 38.487 0.025 0.000 1.126 87 N HN 0.423 nan 8.380 nan 0.000 0.499 88 Q N 0.812 120.608 119.800 -0.006 0.000 1.719 88 Q HA 0.259 4.599 4.340 0.001 0.000 0.171 88 Q C -0.755 175.236 176.000 -0.015 0.000 0.727 88 Q CA -0.183 55.615 55.803 -0.010 0.000 0.786 88 Q CB 0.589 29.321 28.738 -0.009 0.000 1.209 88 Q HN 0.544 nan 8.270 nan 0.000 0.383 89 I N 0.982 121.537 120.570 -0.025 0.000 2.352 89 I HA 0.085 4.256 4.170 0.001 0.000 0.290 89 I C 0.483 176.589 176.117 -0.018 0.000 1.036 89 I CA -0.352 60.930 61.300 -0.030 0.000 1.336 89 I CB 1.173 39.133 38.000 -0.066 0.000 1.407 89 I HN 0.185 nan 8.210 nan 0.000 0.497 90 C N 6.452 125.733 119.300 -0.032 0.000 2.449 90 C HA 0.122 4.582 4.460 0.001 0.000 0.322 90 C C 0.959 175.894 174.990 -0.093 0.000 1.309 90 C CA -0.357 58.632 59.018 -0.048 0.000 1.657 90 C CB -1.704 26.013 27.740 -0.037 0.000 1.718 90 C HN 0.546 nan 8.230 nan 0.000 0.596 91 L N 3.393 124.545 121.223 -0.117 0.000 2.536 91 L HA 0.205 4.546 4.340 0.001 0.000 0.282 91 L C 0.776 177.381 176.870 -0.442 0.000 1.147 91 L CA 0.910 55.596 54.840 -0.257 0.000 0.936 91 L CB -0.272 41.667 42.059 -0.201 0.000 1.279 91 L HN 0.357 nan 8.230 nan 0.000 0.461 92 T N 1.713 116.027 114.554 -0.400 0.000 2.779 92 T HA 0.558 4.909 4.350 0.001 0.000 0.280 92 T C -0.225 174.281 174.700 -0.323 0.000 0.987 92 T CA -0.544 61.368 62.100 -0.312 0.000 0.966 92 T CB 0.378 69.180 68.868 -0.111 0.000 0.933 92 T HN 0.215 nan 8.240 nan 0.000 0.442 93 F N 1.721 121.786 119.950 0.192 0.000 2.394 93 F HA 0.533 5.061 4.527 0.001 0.000 0.340 93 F C 0.985 176.994 175.800 0.348 0.000 1.105 93 F CA -0.729 57.433 58.000 0.271 0.000 1.124 93 F CB 1.738 41.008 39.000 0.449 0.000 1.145 93 F HN 0.526 nan 8.300 nan 0.000 0.505 94 T N 2.140 116.893 114.554 0.333 0.000 2.847 94 T HA 0.346 4.697 4.350 0.001 0.000 0.291 94 T C -1.306 173.419 174.700 0.040 0.000 0.998 94 T CA -0.658 61.588 62.100 0.244 0.000 0.967 94 T CB 0.374 69.289 68.868 0.079 0.000 0.954 94 T HN 0.402 nan 8.240 nan 0.000 0.441 95 W N 1.777 123.210 121.300 0.221 0.000 2.781 95 W HA 0.574 5.235 4.660 0.000 0.000 0.345 95 W C 0.210 176.764 176.519 0.058 0.000 1.085 95 W CA -1.009 56.382 57.345 0.077 0.000 1.198 95 W CB 1.355 30.773 29.460 -0.069 0.000 1.423 95 W HN 0.290 nan 8.180 nan 0.000 0.532 96 K N 1.131 121.666 120.400 0.224 0.000 2.098 96 K HA 0.162 4.483 4.320 0.001 0.000 0.261 96 K C -0.587 176.048 176.600 0.057 0.000 0.987 96 K CA -0.814 55.542 56.287 0.116 0.000 0.916 96 K CB 1.019 33.556 32.500 0.062 0.000 1.039 96 K HN 0.438 nan 8.250 nan 0.000 0.455 97 D N 0.759 121.160 120.400 0.001 0.000 2.472 97 D HA -0.005 4.636 4.640 0.001 0.000 0.237 97 D C 0.858 177.054 176.300 -0.174 0.000 1.141 97 D CA 0.366 54.300 54.000 -0.111 0.000 0.875 97 D CB 1.085 41.854 40.800 -0.052 0.000 1.192 97 D HN 0.529 nan 8.370 nan 0.000 0.450 98 A N 3.151 125.713 122.820 -0.429 0.000 1.898 98 A HA -0.100 4.220 4.320 0.001 0.000 0.216 98 A C 1.577 179.002 177.584 -0.264 0.000 1.181 98 A CA 0.950 52.703 52.037 -0.472 0.000 0.620 98 A CB -0.465 18.002 19.000 -0.888 0.000 0.819 98 A HN 0.696 nan 8.150 nan 0.000 0.442 99 F N -0.835 119.148 119.950 0.056 0.000 2.664 99 F HA 0.193 4.720 4.527 0.000 0.000 0.303 99 F C 0.170 176.004 175.800 0.055 0.000 1.092 99 F CA -0.159 57.882 58.000 0.067 0.000 1.305 99 F CB 0.340 39.378 39.000 0.063 0.000 1.054 99 F HN 0.066 nan 8.300 nan 0.000 0.565 100 D N 1.543 122.033 120.400 0.150 0.000 2.772 100 D HA -0.167 4.473 4.640 0.001 0.000 0.233 100 D C -0.187 176.187 176.300 0.124 0.000 1.143 100 D CA 0.755 54.823 54.000 0.114 0.000 0.700 100 D CB -0.590 40.276 40.800 0.109 0.000 1.076 100 D HN 0.243 nan 8.370 nan 0.000 0.430 101 K N -0.132 120.348 120.400 0.134 0.000 2.270 101 K HA 0.756 5.076 4.320 0.001 0.000 0.255 101 K C 0.588 177.241 176.600 0.088 0.000 0.936 101 K CA -0.499 55.868 56.287 0.134 0.000 0.809 101 K CB 2.387 35.010 32.500 0.205 0.000 1.131 101 K HN 0.141 nan 8.250 nan 0.000 0.427 102 G N -0.462 108.383 108.800 0.073 0.000 2.788 102 G HA2 0.226 4.187 3.960 0.001 0.000 0.293 102 G HA3 0.226 4.187 3.960 0.001 0.000 0.293 102 G C -0.263 174.651 174.900 0.024 0.000 1.392 102 G CA -0.617 44.509 45.100 0.044 0.000 0.810 102 G HN 0.394 nan 8.290 nan 0.000 0.508 103 S N -0.921 114.775 115.700 -0.006 0.000 2.679 103 S HA 0.507 4.977 4.470 0.001 0.000 0.233 103 S C 0.276 174.819 174.600 -0.095 0.000 0.951 103 S CA -0.222 57.952 58.200 -0.043 0.000 0.973 103 S CB -0.424 62.750 63.200 -0.042 0.000 0.778 103 S HN 0.359 nan 8.310 nan 0.000 0.477 104 L N 0.275 121.455 121.223 -0.071 0.000 2.415 104 L HA 0.536 4.877 4.340 0.001 0.000 0.256 104 L C -0.955 175.921 176.870 0.009 0.000 1.010 104 L CA -1.165 53.604 54.840 -0.118 0.000 0.826 104 L CB 2.279 44.300 42.059 -0.064 0.000 1.405 104 L HN 0.202 nan 8.230 nan 0.000 0.410 105 F N 1.760 121.716 119.950 0.010 0.000 2.604 105 F HA 0.208 4.736 4.527 0.001 0.000 0.337 105 F C 1.044 176.852 175.800 0.014 0.000 1.294 105 F CA -0.224 57.782 58.000 0.011 0.000 1.066 105 F CB 0.113 39.119 39.000 0.009 0.000 1.391 105 F HN 0.484 nan 8.300 nan 0.000 0.652 106 G N 0.796 109.720 108.800 0.207 0.000 3.262 106 G HA2 0.533 4.494 3.960 0.001 0.000 0.229 106 G HA3 0.533 4.494 3.960 0.001 0.000 0.229 106 G C 0.517 175.471 174.900 0.091 0.000 1.280 106 G CA -0.094 45.078 45.100 0.120 0.000 0.951 106 G HN 0.449 nan 8.290 nan 0.000 0.589 107 G N -1.505 107.337 108.800 0.071 0.000 2.535 107 G HA2 0.439 4.400 3.960 0.001 0.000 0.191 107 G HA3 0.439 4.400 3.960 0.001 0.000 0.191 107 G C 0.274 175.210 174.900 0.061 0.000 1.242 107 G CA 1.356 46.492 45.100 0.060 0.000 0.797 107 G HN 1.407 nan 8.290 nan 0.000 0.863 108 S N -1.101 114.633 115.700 0.057 0.000 2.565 108 S HA 0.680 5.150 4.470 0.001 0.000 0.269 108 S C -2.216 172.413 174.600 0.048 0.000 1.153 108 S CA -0.472 57.760 58.200 0.052 0.000 0.835 108 S CB 2.102 65.328 63.200 0.044 0.000 1.122 108 S HN 0.605 nan 8.310 nan 0.000 0.462 109 V N 3.068 123.009 119.914 0.046 0.000 2.851 109 V HA 0.595 4.716 4.120 0.001 0.000 0.307 109 V C -1.113 175.011 176.094 0.050 0.000 1.129 109 V CA -0.611 61.715 62.300 0.043 0.000 0.932 109 V CB 2.199 34.045 31.823 0.039 0.000 1.024 109 V HN 1.009 nan 8.190 nan 0.000 0.426 110 K N 3.655 124.087 120.400 0.053 0.000 2.238 110 K HA 0.796 5.116 4.320 0.001 0.000 0.239 110 K C -1.662 174.986 176.600 0.080 0.000 0.987 110 K CA -0.982 55.352 56.287 0.078 0.000 0.857 110 K CB 2.266 34.805 32.500 0.065 0.000 1.154 110 K HN 0.354 nan 8.250 nan 0.000 0.439 111 L N 1.001 122.303 121.223 0.131 0.000 2.555 111 L HA 0.428 4.768 4.340 0.001 0.000 0.264 111 L C -1.572 175.359 176.870 0.101 0.000 0.972 111 L CA -0.215 54.667 54.840 0.071 0.000 0.876 111 L CB 1.457 43.539 42.059 0.038 0.000 1.216 111 L HN 0.718 nan 8.230 nan 0.000 0.415 112 A N 4.903 127.741 122.820 0.031 0.000 2.276 112 A HA 0.743 5.064 4.320 0.001 0.000 0.300 112 A C -1.124 176.422 177.584 -0.063 0.000 1.235 112 A CA -0.240 51.828 52.037 0.051 0.000 0.867 112 A CB 0.503 19.521 19.000 0.030 0.000 1.137 112 A HN 0.682 nan 8.150 nan 0.000 0.527 113 L N 2.064 123.261 121.223 -0.044 0.000 2.431 113 L HA 0.645 4.985 4.340 0.001 0.000 0.266 113 L C 0.336 177.265 176.870 0.098 0.000 0.978 113 L CA 0.005 54.780 54.840 -0.108 0.000 0.822 113 L CB 2.126 43.899 42.059 -0.476 0.000 1.310 113 L HN 0.735 nan 8.230 nan 0.000 0.409 114 A N 2.573 125.421 122.820 0.048 0.000 3.091 114 A HA 0.639 4.959 4.320 0.001 0.000 0.264 114 A C -0.070 177.610 177.584 0.160 0.000 1.673 114 A CA 0.203 52.281 52.037 0.069 0.000 1.362 114 A CB -0.439 18.570 19.000 0.014 0.000 1.137 114 A HN 0.539 nan 8.150 nan 0.000 0.617 115 S N 0.699 116.589 115.700 0.316 0.000 2.533 115 S HA 0.428 4.898 4.470 0.001 0.000 0.271 115 S C 0.101 174.885 174.600 0.307 0.000 1.143 115 S CA -0.522 57.841 58.200 0.272 0.000 0.891 115 S CB 0.933 64.232 63.200 0.165 0.000 1.105 115 S HN 0.377 nan 8.310 nan 0.000 0.468 116 L N 4.671 125.932 121.223 0.063 0.000 2.240 116 L HA 0.319 4.659 4.340 0.001 0.000 0.211 116 L C 2.365 179.129 176.870 -0.177 0.000 1.106 116 L CA 2.224 56.936 54.840 -0.212 0.000 0.793 116 L CB -0.678 41.039 42.059 -0.570 0.000 0.927 116 L HN 0.948 nan 8.230 nan 0.000 0.446 117 G N -1.943 106.823 108.800 -0.056 0.000 2.471 117 G HA2 -0.336 3.624 3.960 0.001 0.000 0.219 117 G HA3 -0.336 3.624 3.960 0.001 0.000 0.219 117 G C 1.467 176.374 174.900 0.012 0.000 1.125 117 G CA 0.777 45.859 45.100 -0.030 0.000 0.775 117 G HN 0.439 nan 8.290 nan 0.000 0.548 118 Y N 1.166 121.413 120.300 -0.088 0.000 2.201 118 Y HA 0.064 4.615 4.550 0.001 0.000 0.292 118 Y C 2.652 178.412 175.900 -0.233 0.000 1.119 118 Y CA 1.447 59.485 58.100 -0.105 0.000 1.127 118 Y CB -0.299 38.173 38.460 0.019 0.000 1.019 118 Y HN 0.261 nan 8.280 nan 0.000 0.514 119 E N 1.192 121.214 120.200 -0.296 0.000 2.114 119 E HA -0.281 4.070 4.350 0.001 0.000 0.199 119 E C 1.980 178.326 176.600 -0.424 0.000 1.008 119 E CA 2.639 58.723 56.400 -0.527 0.000 0.810 119 E CB -0.319 28.760 29.700 -1.034 0.000 0.739 119 E HN 0.667 nan 8.360 nan 0.000 0.456 120 K N -0.903 119.314 120.400 -0.306 0.000 2.243 120 K HA 0.116 4.436 4.320 0.001 0.000 0.201 120 K C 2.191 178.778 176.600 -0.022 0.000 1.051 120 K CA 1.148 57.355 56.287 -0.133 0.000 0.970 120 K CB 0.015 32.410 32.500 -0.175 0.000 0.755 120 K HN -0.073 nan 8.250 nan 0.000 0.465 121 S N 1.278 116.886 115.700 -0.153 0.000 2.368 121 S HA -0.123 4.347 4.470 0.001 0.000 0.224 121 S C 2.166 176.601 174.600 -0.275 0.000 1.029 121 S CA 1.213 59.324 58.200 -0.147 0.000 0.988 121 S CB -0.455 62.662 63.200 -0.139 0.000 0.838 121 S HN 0.434 nan 8.310 nan 0.000 0.462 122 C N 1.096 120.021 119.300 -0.625 0.000 2.453 122 C HA 0.016 4.476 4.460 0.001 0.000 0.277 122 C C 2.688 177.277 174.990 -0.669 0.000 1.262 122 C CA 0.292 58.713 59.018 -0.995 0.000 1.718 122 C CB -1.298 25.069 27.740 -2.289 0.000 2.031 122 C HN 0.402 nan 8.230 nan 0.000 0.480 123 V N 0.808 120.459 119.914 -0.438 0.000 2.287 123 V HA -0.220 3.901 4.120 0.001 0.000 0.248 123 V C 2.405 178.461 176.094 -0.063 0.000 1.053 123 V CA 1.955 64.231 62.300 -0.040 0.000 1.027 123 V CB -0.809 31.129 31.823 0.191 0.000 0.646 123 V HN 0.462 nan 8.190 nan 0.000 0.447 124 L N -0.405 120.722 121.223 -0.160 0.000 2.042 124 L HA -0.203 4.137 4.340 0.001 0.000 0.210 124 L C 2.170 178.908 176.870 -0.219 0.000 1.076 124 L CA 2.084 56.707 54.840 -0.362 0.000 0.749 124 L CB -0.881 40.926 42.059 -0.420 0.000 0.893 124 L HN 0.391 nan 8.230 nan 0.000 0.432 125 F N -0.146 119.661 119.950 -0.238 0.000 2.134 125 F HA -0.256 4.271 4.527 0.001 0.000 0.299 125 F C 2.177 177.912 175.800 -0.108 0.000 1.097 125 F CA 1.746 59.673 58.000 -0.120 0.000 1.264 125 F CB -0.170 38.783 39.000 -0.078 0.000 1.001 125 F HN 0.216 nan 8.300 nan 0.000 0.479 126 N N -0.095 118.709 118.700 0.173 0.000 2.216 126 N HA -0.150 4.590 4.740 0.001 0.000 0.183 126 N C 1.935 177.442 175.510 -0.005 0.000 1.017 126 N CA 1.519 54.656 53.050 0.145 0.000 0.861 126 N CB -0.893 37.710 38.487 0.193 0.000 0.986 126 N HN 0.324 nan 8.380 nan 0.000 0.428 127 C N 0.511 119.783 119.300 -0.046 0.000 2.413 127 C HA -0.080 4.381 4.460 0.001 0.000 0.276 127 C C 2.796 177.761 174.990 -0.041 0.000 1.236 127 C CA 0.865 59.863 59.018 -0.033 0.000 1.735 127 C CB -1.350 26.385 27.740 -0.008 0.000 2.031 127 C HN 0.497 nan 8.230 nan 0.000 0.474 128 A N 0.328 122.973 122.820 -0.292 0.000 1.902 128 A HA 0.050 4.370 4.320 0.001 0.000 0.217 128 A C 2.330 179.643 177.584 -0.452 0.000 1.181 128 A CA 2.265 53.921 52.037 -0.635 0.000 0.623 128 A CB -0.836 17.147 19.000 -1.695 0.000 0.818 128 A HN 0.602 nan 8.150 nan 0.000 0.443 129 A N -0.821 121.800 122.820 -0.332 0.000 1.874 129 A HA 0.104 4.424 4.320 0.001 0.000 0.214 129 A C 2.103 179.655 177.584 -0.053 0.000 1.189 129 A CA 1.459 53.431 52.037 -0.107 0.000 0.615 129 A CB -0.658 18.335 19.000 -0.012 0.000 0.830 129 A HN 0.564 nan 8.150 nan 0.000 0.443 130 L N 0.075 121.257 121.223 -0.069 0.000 2.042 130 L HA -0.160 4.180 4.340 0.001 0.000 0.210 130 L C 2.741 179.488 176.870 -0.205 0.000 1.076 130 L CA 2.201 56.981 54.840 -0.101 0.000 0.749 130 L CB -0.699 41.304 42.059 -0.093 0.000 0.893 130 L HN 0.380 nan 8.230 nan 0.000 0.432 131 A N -0.971 121.708 122.820 -0.235 0.000 1.892 131 A HA -0.293 4.028 4.320 0.001 0.000 0.218 131 A C 2.519 179.943 177.584 -0.267 0.000 1.188 131 A CA 2.528 54.357 52.037 -0.347 0.000 0.631 131 A CB -1.281 17.653 19.000 -0.110 0.000 0.822 131 A HN 0.679 nan 8.150 nan 0.000 0.447 132 S N -0.465 115.169 115.700 -0.110 0.000 2.368 132 S HA -0.286 4.185 4.470 0.001 0.000 0.225 132 S C 1.980 176.556 174.600 -0.040 0.000 1.030 132 S CA 1.596 59.795 58.200 -0.000 0.000 0.999 132 S CB -0.642 62.669 63.200 0.185 0.000 0.844 132 S HN 0.690 nan 8.310 nan 0.000 0.459 133 Q N 0.644 120.415 119.800 -0.049 0.000 2.124 133 Q HA 0.049 4.389 4.340 0.001 0.000 0.202 133 Q C 2.294 178.216 176.000 -0.131 0.000 0.977 133 Q CA 1.646 57.424 55.803 -0.041 0.000 0.850 133 Q CB -0.440 28.289 28.738 -0.016 0.000 0.901 133 Q HN 0.632 nan 8.270 nan 0.000 0.429 134 I N 0.635 121.051 120.570 -0.257 0.000 2.179 134 I HA -0.284 3.886 4.170 0.001 0.000 0.242 134 I C 2.459 178.395 176.117 -0.302 0.000 1.088 134 I CA 0.964 62.051 61.300 -0.355 0.000 1.357 134 I CB -0.442 37.206 38.000 -0.587 0.000 1.051 134 I HN 0.158 nan 8.210 nan 0.000 0.409 135 A N 0.848 123.446 122.820 -0.370 0.000 1.892 135 A HA -0.252 4.068 4.320 0.001 0.000 0.218 135 A C 2.524 179.886 177.584 -0.371 0.000 1.188 135 A CA 2.181 53.911 52.037 -0.511 0.000 0.631 135 A CB -1.039 17.231 19.000 -1.217 0.000 0.822 135 A HN 0.448 nan 8.150 nan 0.000 0.447 136 A N -0.977 121.731 122.820 -0.187 0.000 2.019 136 A HA -0.154 4.167 4.320 0.001 0.000 0.219 136 A C 1.920 179.480 177.584 -0.040 0.000 1.164 136 A CA 1.636 53.652 52.037 -0.036 0.000 0.644 136 A CB -0.436 18.655 19.000 0.151 0.000 0.805 136 A HN 0.653 nan 8.150 nan 0.000 0.449 137 E N -0.328 119.837 120.200 -0.059 0.000 2.427 137 E HA -0.050 4.301 4.350 0.001 0.000 0.196 137 E C 0.031 176.617 176.600 -0.023 0.000 1.028 137 E CA -0.152 56.239 56.400 -0.016 0.000 0.864 137 E CB 0.076 29.766 29.700 -0.017 0.000 0.813 137 E HN 0.526 nan 8.360 nan 0.000 0.514 138 Q N 1.024 120.776 119.800 -0.080 0.000 2.361 138 Q HA -0.011 4.330 4.340 0.001 0.000 0.276 138 Q C -0.077 175.902 176.000 -0.036 0.000 1.022 138 Q CA 0.038 55.802 55.803 -0.065 0.000 0.898 138 Q CB 0.378 29.046 28.738 -0.117 0.000 1.246 138 Q HN 0.039 nan 8.270 nan 0.000 0.410 139 N N 2.353 121.046 118.700 -0.012 0.000 2.405 139 N HA -0.003 4.738 4.740 0.001 0.000 0.260 139 N C -0.215 175.288 175.510 -0.012 0.000 1.152 139 N CA -0.064 52.986 53.050 0.000 0.000 0.948 139 N CB 0.336 38.826 38.487 0.006 0.000 1.111 139 N HN 0.318 nan 8.380 nan 0.000 0.485 140 L N 2.634 123.859 121.223 0.004 0.000 2.612 140 L HA 0.198 4.539 4.340 0.001 0.000 0.230 140 L C 0.984 177.854 176.870 -0.001 0.000 1.140 140 L CA 0.489 55.330 54.840 0.001 0.000 0.896 140 L CB -0.465 41.621 42.059 0.044 0.000 1.065 140 L HN 0.503 nan 8.230 nan 0.000 0.447 141 D N -0.682 119.719 120.400 0.001 0.000 2.355 141 D HA -0.016 4.625 4.640 0.001 0.000 0.218 141 D C 0.614 176.903 176.300 -0.018 0.000 1.004 141 D CA 0.435 54.432 54.000 -0.005 0.000 0.880 141 D CB 0.105 40.907 40.800 0.003 0.000 0.911 141 D HN 0.285 nan 8.370 nan 0.000 0.528 142 N N -0.411 118.274 118.700 -0.025 0.000 2.258 142 N HA 0.096 4.837 4.740 0.001 0.000 0.299 142 N C 0.010 175.493 175.510 -0.044 0.000 1.047 142 N CA -0.469 52.564 53.050 -0.029 0.000 0.814 142 N CB 1.719 40.194 38.487 -0.021 0.000 1.413 142 N HN -0.396 nan 8.380 nan 0.000 0.478 143 D N 0.924 121.297 120.400 -0.045 0.000 2.178 143 D HA -0.107 4.533 4.640 0.001 0.000 0.202 143 D C 0.963 177.223 176.300 -0.066 0.000 0.974 143 D CA 1.010 54.976 54.000 -0.058 0.000 0.841 143 D CB 0.274 41.046 40.800 -0.047 0.000 0.953 143 D HN 0.628 nan 8.370 nan 0.000 0.478 144 E N 0.288 120.456 120.200 -0.052 0.000 2.106 144 E HA -0.072 4.278 4.350 0.001 0.000 0.192 144 E C 2.094 178.654 176.600 -0.067 0.000 0.984 144 E CA 0.733 57.100 56.400 -0.055 0.000 0.806 144 E CB -0.172 29.507 29.700 -0.035 0.000 0.750 144 E HN 0.281 nan 8.360 nan 0.000 0.458 145 G N 1.671 110.436 108.800 -0.058 0.000 2.480 145 G HA2 -0.257 3.703 3.960 0.001 0.000 0.216 145 G HA3 -0.257 3.703 3.960 0.001 0.000 0.216 145 G C 1.738 176.576 174.900 -0.103 0.000 1.200 145 G CA 0.808 45.867 45.100 -0.067 0.000 0.782 145 G HN 0.167 nan 8.290 nan 0.000 0.554 146 L N 0.385 121.542 121.223 -0.109 0.000 1.997 146 L HA -0.204 4.136 4.340 0.001 0.000 0.216 146 L C 2.834 179.586 176.870 -0.198 0.000 1.074 146 L CA 2.135 56.884 54.840 -0.152 0.000 0.763 146 L CB -0.406 41.552 42.059 -0.168 0.000 0.890 146 L HN 0.273 nan 8.230 nan 0.000 0.434 147 K N 0.564 120.858 120.400 -0.178 0.000 2.057 147 K HA -0.150 4.170 4.320 0.001 0.000 0.206 147 K C 2.085 178.574 176.600 -0.185 0.000 1.050 147 K CA 1.367 57.546 56.287 -0.180 0.000 0.935 147 K CB -0.072 32.349 32.500 -0.130 0.000 0.715 147 K HN 0.222 nan 8.250 nan 0.000 0.439 148 I N 0.836 121.299 120.570 -0.179 0.000 2.439 148 I HA -0.180 3.991 4.170 0.001 0.000 0.251 148 I C 2.361 178.326 176.117 -0.255 0.000 1.139 148 I CA 0.851 62.008 61.300 -0.238 0.000 1.438 148 I CB -0.178 37.738 38.000 -0.141 0.000 1.085 148 I HN 0.264 nan 8.210 nan 0.000 0.427 149 A N 0.678 123.375 122.820 -0.204 0.000 1.898 149 A HA -0.079 4.241 4.320 0.001 0.000 0.216 149 A C 2.502 179.988 177.584 -0.164 0.000 1.181 149 A CA 1.576 53.458 52.037 -0.258 0.000 0.620 149 A CB -0.680 18.199 19.000 -0.201 0.000 0.819 149 A HN 0.394 nan 8.150 nan 0.000 0.442 150 A N -0.151 122.615 122.820 -0.090 0.000 2.015 150 A HA -0.095 4.226 4.320 0.001 0.000 0.219 150 A C 2.074 179.692 177.584 0.056 0.000 1.163 150 A CA 1.855 53.911 52.037 0.031 0.000 0.646 150 A CB -0.319 18.587 19.000 -0.157 0.000 0.806 150 A HN 0.620 nan 8.150 nan 0.000 0.448 151 K N -1.730 118.614 120.400 -0.094 0.000 2.166 151 K HA -0.079 4.241 4.320 0.001 0.000 0.201 151 K C 1.771 178.307 176.600 -0.106 0.000 1.052 151 K CA 0.775 56.991 56.287 -0.117 0.000 0.969 151 K CB -0.306 32.055 32.500 -0.232 0.000 0.761 151 K HN 0.449 nan 8.250 nan 0.000 0.459 152 H N -0.240 118.757 119.070 -0.121 0.000 2.389 152 H HA -0.098 4.458 4.556 0.000 0.000 0.299 152 H C 1.669 176.947 175.328 -0.084 0.000 1.081 152 H CA 1.514 57.467 56.048 -0.158 0.000 1.345 152 H CB -0.374 29.197 29.762 -0.319 0.000 1.393 152 H HN 0.329 nan 8.280 nan 0.000 0.520 153 Y N 1.148 121.521 120.300 0.123 0.000 2.242 153 Y HA -0.159 4.392 4.550 0.001 0.000 0.291 153 Y C 2.698 178.631 175.900 0.055 0.000 1.137 153 Y CA 0.673 58.821 58.100 0.080 0.000 1.181 153 Y CB 0.113 38.611 38.460 0.063 0.000 0.989 153 Y HN 0.197 nan 8.280 nan 0.000 0.527 154 Q N -0.953 118.974 119.800 0.212 0.000 2.230 154 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 154 Q C 1.870 177.915 176.000 0.075 0.000 0.963 154 Q CA 1.143 57.015 55.803 0.115 0.000 0.866 154 Q CB -0.202 28.599 28.738 0.106 0.000 0.931 154 Q HN 0.523 nan 8.270 nan 0.000 0.452 155 F N 1.110 121.050 119.950 -0.016 0.000 2.113 155 F HA -0.131 4.397 4.527 0.001 0.000 0.297 155 F C 2.094 177.814 175.800 -0.133 0.000 1.103 155 F CA 1.309 59.268 58.000 -0.068 0.000 1.248 155 F CB -0.243 38.729 39.000 -0.047 0.000 0.999 155 F HN -0.009 nan 8.300 nan 0.000 0.475 156 A N -0.675 122.099 122.820 -0.075 0.000 1.877 156 A HA -0.196 4.124 4.320 0.001 0.000 0.216 156 A C 2.354 179.751 177.584 -0.312 0.000 1.186 156 A CA 1.891 53.732 52.037 -0.327 0.000 0.620 156 A CB -1.525 17.426 19.000 -0.082 0.000 0.822 156 A HN 0.473 nan 8.150 nan 0.000 0.443 157 S N -0.561 115.109 115.700 -0.051 0.000 2.365 157 S HA -0.092 4.378 4.470 0.001 0.000 0.225 157 S C 2.024 176.575 174.600 -0.082 0.000 1.039 157 S CA 2.007 60.214 58.200 0.010 0.000 1.033 157 S CB -0.709 62.479 63.200 -0.019 0.000 0.887 157 S HN 0.712 nan 8.310 nan 0.000 0.447 158 G N 0.274 108.954 108.800 -0.200 0.000 2.403 158 G HA2 0.101 4.062 3.960 0.001 0.000 0.216 158 G HA3 0.101 4.062 3.960 0.001 0.000 0.216 158 G C 1.653 176.369 174.900 -0.307 0.000 1.154 158 G CA 0.842 45.810 45.100 -0.220 0.000 0.784 158 G HN 0.689 nan 8.290 nan 0.000 0.538 159 A N 0.537 122.998 122.820 -0.599 0.000 1.873 159 A HA 0.180 4.501 4.320 0.001 0.000 0.215 159 A C 2.182 179.580 177.584 -0.310 0.000 1.186 159 A CA 0.997 52.650 52.037 -0.639 0.000 0.616 159 A CB -0.601 17.760 19.000 -1.065 0.000 0.823 159 A HN 0.346 nan 8.150 nan 0.000 0.442 160 F N -0.983 118.818 119.950 -0.248 0.000 2.202 160 F HA -0.185 4.343 4.527 0.000 0.000 0.301 160 F C 2.089 177.834 175.800 -0.091 0.000 1.082 160 F CA 0.969 58.878 58.000 -0.153 0.000 1.313 160 F CB -0.031 38.882 39.000 -0.145 0.000 1.024 160 F HN 0.277 nan 8.300 nan 0.000 0.495 161 L N -0.910 120.367 121.223 0.090 0.000 2.270 161 L HA -0.134 4.207 4.340 0.001 0.000 0.210 161 L C 2.314 179.202 176.870 0.031 0.000 1.104 161 L CA 1.432 56.298 54.840 0.043 0.000 0.804 161 L CB -0.798 41.267 42.059 0.010 0.000 0.937 161 L HN 0.146 nan 8.230 nan 0.000 0.450 162 H N -0.732 118.298 119.070 -0.067 0.000 2.448 162 H HA -0.009 4.548 4.556 0.001 0.000 0.292 162 H C 2.162 177.468 175.328 -0.036 0.000 1.035 162 H CA 1.496 57.505 56.048 -0.065 0.000 1.349 162 H CB 0.358 30.055 29.762 -0.110 0.000 1.425 162 H HN 0.360 nan 8.280 nan 0.000 0.539 163 I N 1.136 121.707 120.570 0.001 0.000 2.163 163 I HA -0.301 3.869 4.170 0.001 0.000 0.243 163 I C 2.778 178.875 176.117 -0.033 0.000 1.085 163 I CA 1.489 62.785 61.300 -0.006 0.000 1.347 163 I CB -0.302 37.758 38.000 0.100 0.000 1.044 163 I HN 0.179 nan 8.210 nan 0.000 0.408 164 K N 1.040 121.437 120.400 -0.004 0.000 2.113 164 K HA -0.212 4.109 4.320 0.001 0.000 0.208 164 K C 1.498 178.065 176.600 -0.055 0.000 1.047 164 K CA 1.602 57.880 56.287 -0.016 0.000 0.928 164 K CB 0.050 32.549 32.500 -0.003 0.000 0.716 164 K HN 0.312 nan 8.250 nan 0.000 0.446 165 E N -0.584 119.553 120.200 -0.104 0.000 2.479 165 E HA 0.004 4.354 4.350 0.001 0.000 0.193 165 E C 0.826 177.329 176.600 -0.161 0.000 1.049 165 E CA 0.431 56.760 56.400 -0.118 0.000 0.870 165 E CB 1.015 30.645 29.700 -0.117 0.000 0.944 165 E HN 0.280 nan 8.360 nan 0.000 0.492 166 T N -0.012 114.431 114.554 -0.185 0.000 3.028 166 T HA 0.007 4.358 4.350 0.001 0.000 0.250 166 T C 2.060 176.706 174.700 -0.090 0.000 0.979 166 T CA 0.659 62.647 62.100 -0.188 0.000 1.004 166 T CB 0.320 68.987 68.868 -0.335 0.000 1.120 166 T HN 0.065 nan 8.240 nan 0.000 0.482 167 V N 1.984 121.861 119.914 -0.062 0.000 2.252 167 V HA -0.190 3.930 4.120 0.001 0.000 0.249 167 V C 2.342 178.429 176.094 -0.012 0.000 1.056 167 V CA 1.752 64.037 62.300 -0.024 0.000 1.022 167 V CB -1.436 30.383 31.823 -0.007 0.000 0.641 167 V HN 0.377 nan 8.190 nan 0.000 0.445 168 L N 0.462 121.674 121.223 -0.018 0.000 2.017 168 L HA -0.124 4.217 4.340 0.001 0.000 0.208 168 L C 2.839 179.702 176.870 -0.011 0.000 1.073 168 L CA 2.019 56.852 54.840 -0.012 0.000 0.745 168 L CB -0.794 41.256 42.059 -0.015 0.000 0.894 168 L HN 0.337 nan 8.230 nan 0.000 0.432 169 S N -0.285 115.405 115.700 -0.018 0.000 2.419 169 S HA -0.107 4.363 4.470 0.001 0.000 0.233 169 S C 1.994 176.590 174.600 -0.007 0.000 1.016 169 S CA 1.075 59.267 58.200 -0.014 0.000 0.974 169 S CB -0.145 63.044 63.200 -0.019 0.000 0.786 169 S HN 0.491 nan 8.310 nan 0.000 0.492 170 A N 1.036 123.852 122.820 -0.006 0.000 1.843 170 A HA 0.283 4.603 4.320 0.001 0.000 0.213 170 A C 1.055 178.651 177.584 0.020 0.000 1.239 170 A CA 0.282 52.322 52.037 0.006 0.000 0.606 170 A CB -0.598 18.402 19.000 0.001 0.000 0.903 170 A HN 0.416 nan 8.150 nan 0.000 0.455 171 L N 1.773 123.013 121.223 0.027 0.000 2.617 171 L HA 0.110 4.451 4.340 0.001 0.000 0.282 171 L C 0.386 177.256 176.870 -0.000 0.000 1.174 171 L CA -0.158 54.699 54.840 0.028 0.000 1.016 171 L CB 0.299 42.389 42.059 0.052 0.000 1.337 171 L HN 0.232 nan 8.230 nan 0.000 0.460 172 S N 5.614 121.311 115.700 -0.005 0.000 4.069 172 S HA 0.326 4.797 4.470 0.001 0.000 0.192 172 S C -0.051 174.534 174.600 -0.026 0.000 1.441 172 S CA -0.343 57.850 58.200 -0.011 0.000 0.994 172 S CB -0.826 62.371 63.200 -0.004 0.000 1.456 172 S HN 0.592 nan 8.310 nan 0.000 0.458 173 R N 0.542 121.023 120.500 -0.031 0.000 2.835 173 R HA 0.210 4.550 4.340 0.001 0.000 0.271 173 R C -1.380 174.900 176.300 -0.032 0.000 1.013 173 R CA -0.766 55.309 56.100 -0.042 0.000 0.876 173 R CB 0.638 30.893 30.300 -0.075 0.000 1.348 173 R HN 0.374 nan 8.270 nan 0.000 0.453 174 E N 2.446 122.626 120.200 -0.033 0.000 2.130 174 E HA 0.318 4.669 4.350 0.001 0.000 0.284 174 E C -2.107 174.480 176.600 -0.020 0.000 1.018 174 E CA -1.786 54.601 56.400 -0.022 0.000 0.817 174 E CB 1.002 30.690 29.700 -0.020 0.000 1.078 174 E HN 0.079 nan 8.360 nan 0.000 0.396 175 P HA -0.003 nan 4.420 nan 0.000 0.270 175 P C -0.693 176.619 177.300 0.020 0.000 1.223 175 P CA -0.347 62.768 63.100 0.025 0.000 0.785 175 P CB 0.417 32.136 31.700 0.031 0.000 0.923 176 T N -1.813 112.764 114.554 0.038 0.000 2.906 176 T HA 0.012 4.362 4.350 0.001 0.000 0.320 176 T C 1.455 176.151 174.700 -0.006 0.000 1.088 176 T CA -0.596 61.512 62.100 0.013 0.000 1.120 176 T CB -0.048 68.823 68.868 0.006 0.000 1.000 176 T HN 0.074 nan 8.240 nan 0.000 0.550 177 V N 2.418 122.338 119.914 0.010 0.000 2.370 177 V HA -0.254 3.867 4.120 0.001 0.000 0.252 177 V C 2.696 178.822 176.094 0.054 0.000 1.068 177 V CA 2.476 64.800 62.300 0.040 0.000 1.061 177 V CB -1.060 30.807 31.823 0.074 0.000 0.656 177 V HN 1.102 nan 8.190 nan 0.000 0.455 178 D N 1.261 121.645 120.400 -0.027 0.000 2.144 178 D HA -0.198 4.442 4.640 0.001 0.000 0.199 178 D C 1.599 177.855 176.300 -0.074 0.000 0.984 178 D CA 1.991 55.924 54.000 -0.111 0.000 0.834 178 D CB -0.561 39.843 40.800 -0.660 0.000 0.955 178 D HN 0.650 nan 8.370 nan 0.000 0.465 179 I N -1.288 119.204 120.570 -0.130 0.000 3.928 179 I HA 0.223 4.393 4.170 0.001 0.000 0.335 179 I C 0.527 176.657 176.117 0.022 0.000 1.325 179 I CA -0.637 60.642 61.300 -0.035 0.000 1.107 179 I CB -0.132 37.794 38.000 -0.123 0.000 1.014 179 I HN -0.058 nan 8.210 nan 0.000 0.400 180 S N 1.377 117.092 115.700 0.024 0.000 2.576 180 S HA 0.337 4.808 4.470 0.001 0.000 0.276 180 S C -1.343 173.271 174.600 0.024 0.000 1.339 180 S CA -0.797 57.415 58.200 0.021 0.000 1.039 180 S CB 0.971 64.183 63.200 0.019 0.000 0.902 180 S HN -0.043 nan 8.310 nan 0.000 0.516 181 P HA -0.198 nan 4.420 nan 0.000 0.219 181 P C 0.945 178.246 177.300 0.001 0.000 1.161 181 P CA 1.742 64.845 63.100 0.004 0.000 0.909 181 P CB -0.046 31.651 31.700 -0.005 0.000 0.793 182 D N -1.519 118.881 120.400 0.000 0.000 2.097 182 D HA -0.095 4.546 4.640 0.001 0.000 0.197 182 D C 1.846 178.138 176.300 -0.013 0.000 0.984 182 D CA 1.539 55.535 54.000 -0.007 0.000 0.826 182 D CB -0.831 39.965 40.800 -0.007 0.000 0.973 182 D HN 0.201 nan 8.370 nan 0.000 0.460 183 T N 0.970 115.527 114.554 0.006 0.000 2.708 183 T HA -0.113 4.238 4.350 0.001 0.000 0.266 183 T C 2.141 176.817 174.700 -0.040 0.000 1.037 183 T CA 0.567 62.674 62.100 0.011 0.000 1.146 183 T CB -0.413 68.518 68.868 0.105 0.000 0.865 183 T HN -0.034 nan 8.240 nan 0.000 0.435 184 V N 1.111 121.013 119.914 -0.020 0.000 2.809 184 V HA 0.054 4.175 4.120 0.001 0.000 0.256 184 V C 2.524 178.567 176.094 -0.086 0.000 1.080 184 V CA 1.735 63.991 62.300 -0.074 0.000 1.102 184 V CB -0.726 31.137 31.823 0.067 0.000 0.705 184 V HN 0.617 nan 8.190 nan 0.000 0.475 185 G N -1.309 107.462 108.800 -0.047 0.000 2.430 185 G HA2 -0.152 3.809 3.960 0.001 0.000 0.216 185 G HA3 -0.152 3.809 3.960 0.001 0.000 0.216 185 G C 1.597 176.459 174.900 -0.064 0.000 1.146 185 G CA 1.201 46.277 45.100 -0.040 0.000 0.793 185 G HN 0.476 nan 8.290 nan 0.000 0.537 186 T N 1.290 115.796 114.554 -0.080 0.000 2.896 186 T HA 0.066 4.416 4.350 0.001 0.000 0.263 186 T C 2.411 177.032 174.700 -0.132 0.000 1.050 186 T CA 0.389 62.437 62.100 -0.087 0.000 1.140 186 T CB -0.118 68.705 68.868 -0.075 0.000 0.877 186 T HN 0.108 nan 8.240 nan 0.000 0.457 187 L N 0.948 122.031 121.223 -0.234 0.000 2.046 187 L HA -0.128 4.213 4.340 0.001 0.000 0.208 187 L C 2.882 179.646 176.870 -0.176 0.000 1.077 187 L CA 1.144 55.764 54.840 -0.367 0.000 0.747 187 L CB -0.620 40.851 42.059 -0.981 0.000 0.896 187 L HN 0.292 nan 8.230 nan 0.000 0.432 188 S N 0.104 115.747 115.700 -0.094 0.000 2.374 188 S HA -0.225 4.246 4.470 0.001 0.000 0.227 188 S C 1.892 176.461 174.600 -0.052 0.000 1.037 188 S CA 1.597 59.824 58.200 0.046 0.000 1.024 188 S CB -0.218 63.003 63.200 0.034 0.000 0.861 188 S HN 0.295 nan 8.310 nan 0.000 0.456 189 L N 1.180 122.344 121.223 -0.099 0.000 2.179 189 L HA 0.263 4.604 4.340 0.001 0.000 0.208 189 L C 1.928 178.673 176.870 -0.208 0.000 1.096 189 L CA 1.377 56.119 54.840 -0.164 0.000 0.779 189 L CB -0.606 41.390 42.059 -0.104 0.000 0.922 189 L HN 0.398 nan 8.230 nan 0.000 0.443 190 I N -1.253 119.238 120.570 -0.132 0.000 2.226 190 I HA -0.285 3.886 4.170 0.001 0.000 0.245 190 I C 2.217 178.238 176.117 -0.160 0.000 1.100 190 I CA 0.965 62.193 61.300 -0.119 0.000 1.374 190 I CB -0.313 37.674 38.000 -0.021 0.000 1.057 190 I HN 0.244 nan 8.210 nan 0.000 0.413 191 M N -0.378 119.184 119.600 -0.064 0.000 2.175 191 M HA -0.160 4.320 4.480 0.001 0.000 0.264 191 M C 2.368 178.586 176.300 -0.136 0.000 1.063 191 M CA 1.645 56.942 55.300 -0.005 0.000 1.119 191 M CB -1.169 31.551 32.600 0.199 0.000 1.377 191 M HN 0.229 nan 8.290 nan 0.000 0.415 192 L N 0.572 121.658 121.223 -0.229 0.000 2.093 192 L HA -0.018 4.322 4.340 0.001 0.000 0.208 192 L C 2.492 179.057 176.870 -0.509 0.000 1.085 192 L CA 1.847 56.462 54.840 -0.375 0.000 0.755 192 L CB -0.973 40.743 42.059 -0.571 0.000 0.904 192 L HN 0.253 nan 8.230 nan 0.000 0.435 193 A N -1.342 121.113 122.820 -0.608 0.000 1.933 193 A HA -0.248 4.073 4.320 0.001 0.000 0.218 193 A C 2.182 179.427 177.584 -0.565 0.000 1.175 193 A CA 1.759 53.362 52.037 -0.724 0.000 0.628 193 A CB -0.487 17.681 19.000 -1.385 0.000 0.814 193 A HN 0.631 nan 8.150 nan 0.000 0.444 194 Q N -0.878 118.665 119.800 -0.428 0.000 2.172 194 Q HA 0.001 4.342 4.340 0.001 0.000 0.200 194 Q C 2.386 178.309 176.000 -0.128 0.000 0.964 194 Q CA 0.949 56.611 55.803 -0.234 0.000 0.855 194 Q CB -0.298 28.074 28.738 -0.610 0.000 0.918 194 Q HN 0.694 nan 8.270 nan 0.000 0.444 195 A N 0.806 123.586 122.820 -0.066 0.000 1.898 195 A HA -0.247 4.074 4.320 0.001 0.000 0.216 195 A C 2.064 179.837 177.584 0.316 0.000 1.181 195 A CA 1.504 53.673 52.037 0.221 0.000 0.620 195 A CB -0.423 18.707 19.000 0.216 0.000 0.819 195 A HN 0.184 nan 8.150 nan 0.000 0.442 196 Q N 0.034 119.962 119.800 0.213 0.000 2.050 196 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 196 Q C 1.918 178.130 176.000 0.354 0.000 0.980 196 Q CA 2.163 58.145 55.803 0.299 0.000 0.840 196 Q CB -0.505 28.413 28.738 0.300 0.000 0.898 196 Q HN 0.754 nan 8.270 nan 0.000 0.424 197 E N -1.032 119.358 120.200 0.316 0.000 2.065 197 E HA -0.218 4.133 4.350 0.001 0.000 0.201 197 E C 1.879 178.758 176.600 0.466 0.000 1.016 197 E CA 1.919 58.576 56.400 0.429 0.000 0.818 197 E CB -0.086 29.900 29.700 0.476 0.000 0.749 197 E HN 0.235 nan 8.360 nan 0.000 0.453 198 V N 0.395 120.534 119.914 0.374 0.000 2.252 198 V HA -0.289 3.832 4.120 0.001 0.000 0.249 198 V C 2.105 178.258 176.094 0.099 0.000 1.056 198 V CA 2.160 64.585 62.300 0.210 0.000 1.022 198 V CB -0.652 31.235 31.823 0.105 0.000 0.641 198 V HN 0.318 nan 8.190 nan 0.000 0.445 199 F N -0.614 119.432 119.950 0.159 0.000 2.202 199 F HA -0.222 4.306 4.527 0.002 0.000 0.301 199 F C 2.124 177.996 175.800 0.119 0.000 1.082 199 F CA 2.203 60.272 58.000 0.114 0.000 1.313 199 F CB -0.525 38.540 39.000 0.109 0.000 1.024 199 F HN 0.255 nan 8.300 nan 0.000 0.495 200 F N -0.265 119.816 119.950 0.218 0.000 2.186 200 F HA -0.138 4.390 4.527 0.001 0.000 0.299 200 F C 1.741 177.584 175.800 0.072 0.000 1.090 200 F CA 1.157 59.231 58.000 0.124 0.000 1.307 200 F CB -0.419 38.651 39.000 0.116 0.000 1.019 200 F HN -0.183 nan 8.300 nan 0.000 0.489 201 L N 1.128 122.201 121.223 -0.250 0.000 2.056 201 L HA -0.117 4.223 4.340 0.001 0.000 0.207 201 L C 2.515 179.241 176.870 -0.240 0.000 1.078 201 L CA 1.668 56.312 54.840 -0.327 0.000 0.749 201 L CB -1.465 40.583 42.059 -0.019 0.000 0.901 201 L HN 0.233 nan 8.230 nan 0.000 0.433 202 K N -0.500 119.811 120.400 -0.148 0.000 2.057 202 K HA -0.146 4.175 4.320 0.001 0.000 0.207 202 K C 1.998 178.536 176.600 -0.103 0.000 1.049 202 K CA 1.349 57.561 56.287 -0.124 0.000 0.931 202 K CB 0.000 32.411 32.500 -0.149 0.000 0.714 202 K HN 0.252 nan 8.250 nan 0.000 0.440 203 A N 0.222 122.985 122.820 -0.096 0.000 1.969 203 A HA -0.094 4.227 4.320 0.001 0.000 0.218 203 A C 2.092 179.578 177.584 -0.164 0.000 1.169 203 A CA 1.890 53.875 52.037 -0.087 0.000 0.635 203 A CB -0.681 18.294 19.000 -0.041 0.000 0.810 203 A HN 0.389 nan 8.150 nan 0.000 0.445 204 T N -0.842 113.538 114.554 -0.290 0.000 2.770 204 T HA -0.094 4.257 4.350 0.001 0.000 0.263 204 T C 2.099 176.711 174.700 -0.147 0.000 1.039 204 T CA 1.484 63.417 62.100 -0.278 0.000 1.142 204 T CB -0.180 68.414 68.868 -0.456 0.000 0.868 204 T HN 0.600 nan 8.240 nan 0.000 0.435 205 R N 1.151 121.567 120.500 -0.141 0.000 2.096 205 R HA -0.106 4.235 4.340 0.001 0.000 0.235 205 R C 1.152 177.417 176.300 -0.059 0.000 1.127 205 R CA 1.718 57.767 56.100 -0.084 0.000 0.968 205 R CB -0.186 30.066 30.300 -0.081 0.000 0.861 205 R HN 0.190 nan 8.270 nan 0.000 0.440 206 D N 0.668 121.031 120.400 -0.062 0.000 2.336 206 D HA -0.011 4.630 4.640 0.001 0.000 0.229 206 D C 0.008 176.289 176.300 -0.031 0.000 1.061 206 D CA 0.407 54.384 54.000 -0.039 0.000 0.875 206 D CB 0.274 41.055 40.800 -0.032 0.000 0.904 206 D HN 0.086 nan 8.370 nan 0.000 0.525 207 K N 0.088 120.466 120.400 -0.037 0.000 3.071 207 K HA -0.193 4.127 4.320 0.001 0.000 0.265 207 K C 0.080 176.668 176.600 -0.020 0.000 1.060 207 K CA 0.388 56.662 56.287 -0.020 0.000 0.767 207 K CB -1.667 30.831 32.500 -0.004 0.000 1.241 207 K HN 0.381 nan 8.250 nan 0.000 0.486 208 M N 0.515 120.094 119.600 -0.035 0.000 2.207 208 M HA 0.061 4.541 4.480 0.001 0.000 0.311 208 M C 1.071 177.352 176.300 -0.031 0.000 1.127 208 M CA 0.506 55.789 55.300 -0.029 0.000 1.181 208 M CB 0.278 32.860 32.600 -0.030 0.000 1.409 208 M HN -0.058 nan 8.290 nan 0.000 0.461 209 K N 1.307 121.694 120.400 -0.021 0.000 2.469 209 K HA -0.070 4.250 4.320 0.001 0.000 0.274 209 K C 0.473 177.058 176.600 -0.024 0.000 0.983 209 K CA -0.012 56.266 56.287 -0.016 0.000 0.974 209 K CB 0.414 32.906 32.500 -0.013 0.000 0.913 209 K HN 0.582 nan 8.250 nan 0.000 0.493 210 D N 1.837 122.239 120.400 0.003 0.000 2.218 210 D HA -0.160 4.481 4.640 0.001 0.000 0.204 210 D C 1.561 177.876 176.300 0.026 0.000 0.976 210 D CA 1.126 55.147 54.000 0.035 0.000 0.853 210 D CB 0.137 41.008 40.800 0.119 0.000 0.939 210 D HN 0.625 nan 8.370 nan 0.000 0.481 211 A N 0.923 123.749 122.820 0.010 0.000 1.930 211 A HA -0.110 4.210 4.320 0.001 0.000 0.217 211 A C 2.280 179.872 177.584 0.012 0.000 1.175 211 A CA 0.704 52.749 52.037 0.013 0.000 0.627 211 A CB -0.494 18.506 19.000 0.001 0.000 0.815 211 A HN 0.135 nan 8.150 nan 0.000 0.443 212 I N -0.361 120.209 120.570 -0.001 0.000 2.286 212 I HA -0.191 3.980 4.170 0.001 0.000 0.245 212 I C 2.197 178.321 176.117 0.012 0.000 1.104 212 I CA 1.039 62.342 61.300 0.004 0.000 1.397 212 I CB -0.213 37.786 38.000 -0.002 0.000 1.072 212 I HN 0.278 nan 8.210 nan 0.000 0.417 213 I N 0.695 121.242 120.570 -0.039 0.000 2.315 213 I HA -0.252 3.918 4.170 0.001 0.000 0.248 213 I C 2.796 178.952 176.117 0.065 0.000 1.117 213 I CA 1.159 62.423 61.300 -0.060 0.000 1.404 213 I CB -0.547 37.196 38.000 -0.428 0.000 1.071 213 I HN 0.170 nan 8.210 nan 0.000 0.419 214 A N 1.152 124.016 122.820 0.074 0.000 1.908 214 A HA -0.231 4.089 4.320 0.001 0.000 0.218 214 A C 2.331 179.968 177.584 0.088 0.000 1.181 214 A CA 1.745 53.866 52.037 0.141 0.000 0.627 214 A CB -0.428 18.650 19.000 0.131 0.000 0.818 214 A HN 0.343 nan 8.150 nan 0.000 0.445 215 K N -0.545 119.891 120.400 0.060 0.000 2.155 215 K HA 0.094 4.415 4.320 0.001 0.000 0.203 215 K C 1.801 178.423 176.600 0.036 0.000 1.052 215 K CA 1.004 57.312 56.287 0.034 0.000 0.948 215 K CB -0.279 32.232 32.500 0.018 0.000 0.728 215 K HN 0.467 nan 8.250 nan 0.000 0.448 216 L N 0.392 121.663 121.223 0.081 0.000 2.093 216 L HA -0.122 4.219 4.340 0.001 0.000 0.208 216 L C 2.534 179.468 176.870 0.107 0.000 1.085 216 L CA 0.963 55.876 54.840 0.122 0.000 0.755 216 L CB -0.507 41.680 42.059 0.213 0.000 0.904 216 L HN 0.169 nan 8.230 nan 0.000 0.435 217 A N 0.056 122.919 122.820 0.071 0.000 1.929 217 A HA -0.192 4.128 4.320 0.001 0.000 0.216 217 A C 2.076 179.619 177.584 -0.068 0.000 1.176 217 A CA 1.726 53.678 52.037 -0.142 0.000 0.628 217 A CB -0.551 18.306 19.000 -0.238 0.000 0.816 217 A HN 0.389 nan 8.150 nan 0.000 0.444 218 N N -0.368 118.322 118.700 -0.017 0.000 2.084 218 N HA -0.199 4.542 4.740 0.001 0.000 0.190 218 N C 1.880 177.360 175.510 -0.050 0.000 1.030 218 N CA 1.782 54.823 53.050 -0.015 0.000 0.849 218 N CB -0.341 38.145 38.487 -0.002 0.000 1.012 218 N HN 0.442 nan 8.380 nan 0.000 0.423 219 Q N 0.284 120.030 119.800 -0.089 0.000 2.152 219 Q HA -0.025 4.316 4.340 0.001 0.000 0.206 219 Q C 1.760 177.604 176.000 -0.259 0.000 0.985 219 Q CA 2.041 57.709 55.803 -0.224 0.000 0.863 219 Q CB -0.696 27.928 28.738 -0.190 0.000 0.904 219 Q HN 0.424 nan 8.270 nan 0.000 0.422 220 A N -0.112 122.682 122.820 -0.042 0.000 1.930 220 A HA 0.028 4.348 4.320 0.001 0.000 0.217 220 A C 2.257 179.951 177.584 0.183 0.000 1.175 220 A CA 1.672 53.763 52.037 0.090 0.000 0.627 220 A CB -1.016 18.076 19.000 0.155 0.000 0.815 220 A HN 0.514 nan 8.150 nan 0.000 0.443 221 A N -0.081 122.832 122.820 0.154 0.000 1.930 221 A HA -0.152 4.168 4.320 0.001 0.000 0.217 221 A C 1.805 179.501 177.584 0.187 0.000 1.175 221 A CA 2.027 54.220 52.037 0.259 0.000 0.627 221 A CB -0.652 18.439 19.000 0.152 0.000 0.815 221 A HN 0.546 nan 8.150 nan 0.000 0.443 222 D N -1.544 118.859 120.400 0.005 0.000 2.092 222 D HA -0.193 4.448 4.640 0.001 0.000 0.193 222 D C 1.698 177.964 176.300 -0.056 0.000 0.994 222 D CA 1.697 55.647 54.000 -0.083 0.000 0.828 222 D CB -0.276 40.376 40.800 -0.246 0.000 0.963 222 D HN 0.633 nan 8.370 nan 0.000 0.450 223 Y N -1.137 119.122 120.300 -0.068 0.000 2.200 223 Y HA -0.128 4.423 4.550 0.001 0.000 0.290 223 Y C 2.239 178.036 175.900 -0.172 0.000 1.137 223 Y CA 0.521 58.523 58.100 -0.163 0.000 1.163 223 Y CB -0.251 38.034 38.460 -0.292 0.000 0.988 223 Y HN 0.012 nan 8.280 nan 0.000 0.518 224 F N -0.467 119.538 119.950 0.092 0.000 2.171 224 F HA -0.167 4.361 4.527 0.001 0.000 0.300 224 F C 2.466 178.172 175.800 -0.157 0.000 1.090 224 F CA 0.938 58.927 58.000 -0.019 0.000 1.293 224 F CB -0.621 38.370 39.000 -0.015 0.000 1.013 224 F HN 0.029 nan 8.300 nan 0.000 0.486 225 G N -0.354 108.342 108.800 -0.175 0.000 2.404 225 G HA2 -0.234 3.727 3.960 0.001 0.000 0.215 225 G HA3 -0.234 3.727 3.960 0.001 0.000 0.215 225 G C 1.124 175.975 174.900 -0.082 0.000 1.174 225 G CA 1.096 45.897 45.100 -0.499 0.000 0.780 225 G HN 0.201 nan 8.290 nan 0.000 0.537 226 D N 0.880 121.269 120.400 -0.019 0.000 2.144 226 D HA 0.005 4.646 4.640 0.001 0.000 0.199 226 D C 2.729 179.048 176.300 0.032 0.000 0.984 226 D CA 1.219 55.233 54.000 0.024 0.000 0.834 226 D CB -0.277 40.548 40.800 0.043 0.000 0.955 226 D HN 0.318 nan 8.370 nan 0.000 0.465 227 A N -0.110 122.737 122.820 0.046 0.000 1.929 227 A HA -0.085 4.236 4.320 0.001 0.000 0.216 227 A C 2.015 179.637 177.584 0.064 0.000 1.176 227 A CA 0.659 52.720 52.037 0.040 0.000 0.628 227 A CB -0.857 18.169 19.000 0.044 0.000 0.816 227 A HN 0.257 nan 8.150 nan 0.000 0.444 228 F N 0.935 120.847 119.950 -0.063 0.000 2.069 228 F HA -0.158 4.369 4.527 0.001 0.000 0.298 228 F C 2.105 177.899 175.800 -0.010 0.000 1.113 228 F CA 2.198 60.140 58.000 -0.096 0.000 1.214 228 F CB -0.289 38.585 39.000 -0.210 0.000 0.978 228 F HN 0.109 nan 8.300 nan 0.000 0.474 229 K N -0.116 120.243 120.400 -0.068 0.000 2.032 229 K HA -0.239 4.082 4.320 0.001 0.000 0.209 229 K C 2.144 178.671 176.600 -0.122 0.000 1.048 229 K CA 1.992 58.206 56.287 -0.121 0.000 0.927 229 K CB -0.372 32.144 32.500 0.027 0.000 0.712 229 K HN 0.434 nan 8.250 nan 0.000 0.441 230 Q N -0.220 119.543 119.800 -0.062 0.000 2.181 230 Q HA -0.190 4.151 4.340 0.001 0.000 0.205 230 Q C 2.100 178.050 176.000 -0.083 0.000 0.980 230 Q CA 1.358 57.132 55.803 -0.048 0.000 0.862 230 Q CB -0.126 28.595 28.738 -0.029 0.000 0.905 230 Q HN 0.399 nan 8.270 nan 0.000 0.429 231 C N -0.083 119.152 119.300 -0.108 0.000 2.500 231 C HA -0.032 4.429 4.460 0.001 0.000 0.273 231 C C 2.373 177.194 174.990 -0.282 0.000 1.428 231 C CA 0.066 59.016 59.018 -0.113 0.000 1.766 231 C CB -0.622 27.169 27.740 0.086 0.000 1.817 231 C HN 0.527 nan 8.230 nan 0.000 0.543 232 Q N -0.388 119.190 119.800 -0.371 0.000 2.172 232 Q HA -0.085 4.255 4.340 0.001 0.000 0.200 232 Q C 0.194 175.665 176.000 -0.882 0.000 0.964 232 Q CA 1.363 56.767 55.803 -0.665 0.000 0.855 232 Q CB 0.110 28.394 28.738 -0.755 0.000 0.918 232 Q HN 0.791 nan 8.270 nan 0.000 0.444 233 Y N -0.018 120.191 120.300 -0.152 0.000 2.722 233 Y HA 0.427 4.978 4.550 0.001 0.000 0.314 233 Y C -0.905 174.927 175.900 -0.114 0.000 1.008 233 Y CA -0.355 57.673 58.100 -0.120 0.000 1.294 233 Y CB 0.711 39.124 38.460 -0.077 0.000 1.231 233 Y HN -0.267 nan 8.280 nan 0.000 0.558 234 K N 0.823 121.163 120.400 -0.100 0.000 2.592 234 K HA 0.090 4.411 4.320 0.001 0.000 0.265 234 K C -1.952 174.556 176.600 -0.154 0.000 1.006 234 K CA -0.490 55.745 56.287 -0.086 0.000 0.907 234 K CB 1.996 34.467 32.500 -0.049 0.000 1.309 234 K HN -0.014 nan 8.250 nan 0.000 0.452 235 D N 2.169 122.485 120.400 -0.139 0.000 2.518 235 D HA 0.109 4.749 4.640 0.001 0.000 0.230 235 D C 0.707 176.953 176.300 -0.091 0.000 1.138 235 D CA 0.025 53.929 54.000 -0.160 0.000 0.964 235 D CB 0.677 41.377 40.800 -0.166 0.000 1.011 235 D HN 0.533 nan 8.370 nan 0.000 0.517 236 T N -0.451 114.046 114.554 -0.095 0.000 3.003 236 T HA 0.275 4.626 4.350 0.001 0.000 0.261 236 T C 0.866 175.483 174.700 -0.139 0.000 1.003 236 T CA -0.219 61.853 62.100 -0.047 0.000 0.917 236 T CB 0.060 68.930 68.868 0.003 0.000 1.084 236 T HN 0.131 nan 8.240 nan 0.000 0.522 237 L N 1.274 122.343 121.223 -0.257 0.000 2.358 237 L HA 0.600 4.941 4.340 0.001 0.000 0.268 237 L C -2.354 174.310 176.870 -0.344 0.000 1.032 237 L CA -2.954 51.576 54.840 -0.517 0.000 0.805 237 L CB 0.659 42.481 42.059 -0.396 0.000 1.253 237 L HN -0.150 nan 8.230 nan 0.000 0.452 238 P HA -0.022 nan 4.420 nan 0.000 0.271 238 P C -0.155 177.114 177.300 -0.050 0.000 1.233 238 P CA -0.178 62.856 63.100 -0.110 0.000 0.795 238 P CB 0.391 32.070 31.700 -0.035 0.000 0.936 239 K N 0.318 120.727 120.400 0.016 0.000 2.148 239 K HA -0.161 4.160 4.320 0.001 0.000 0.204 239 K C 1.276 177.910 176.600 0.056 0.000 1.050 239 K CA 1.601 57.914 56.287 0.043 0.000 0.942 239 K CB -0.410 32.135 32.500 0.075 0.000 0.724 239 K HN 0.228 nan 8.250 nan 0.000 0.446 240 E N 1.202 121.435 120.200 0.055 0.000 2.208 240 E HA -0.061 4.289 4.350 0.001 0.000 0.193 240 E C 1.959 178.491 176.600 -0.113 0.000 0.988 240 E CA 0.680 57.078 56.400 -0.003 0.000 0.828 240 E CB -0.233 29.544 29.700 0.128 0.000 0.763 240 E HN 0.075 nan 8.360 nan 0.000 0.478 241 V N 0.892 120.778 119.914 -0.047 0.000 2.282 241 V HA -0.294 3.827 4.120 0.001 0.000 0.249 241 V C 1.932 177.993 176.094 -0.055 0.000 1.057 241 V CA 1.928 64.196 62.300 -0.053 0.000 1.032 241 V CB -0.519 31.271 31.823 -0.055 0.000 0.645 241 V HN 0.238 nan 8.190 nan 0.000 0.447 242 F N 2.279 122.134 119.950 -0.158 0.000 2.046 242 F HA -0.085 4.443 4.527 0.001 0.000 0.297 242 F C 0.177 175.889 175.800 -0.147 0.000 1.123 242 F CA 2.110 60.042 58.000 -0.114 0.000 1.199 242 F CB -1.643 37.300 39.000 -0.095 0.000 0.972 242 F HN 0.230 nan 8.300 nan 0.000 0.474 243 P HA -0.107 nan 4.420 nan 0.000 0.218 243 P C 2.076 178.873 177.300 -0.839 0.000 1.149 243 P CA 1.495 64.206 63.100 -0.648 0.000 0.817 243 P CB -0.169 31.201 31.700 -0.550 0.000 0.785 244 V N 0.486 120.011 119.914 -0.648 0.000 2.343 244 V HA -0.221 3.899 4.120 0.001 0.000 0.247 244 V C 2.798 178.605 176.094 -0.478 0.000 1.051 244 V CA 1.508 63.514 62.300 -0.489 0.000 1.036 244 V CB -1.201 30.448 31.823 -0.291 0.000 0.654 244 V HN 0.023 nan 8.190 nan 0.000 0.451 245 L N -0.116 120.889 121.223 -0.362 0.000 2.012 245 L HA -0.224 4.117 4.340 0.001 0.000 0.210 245 L C 2.719 179.330 176.870 -0.431 0.000 1.073 245 L CA 1.797 56.484 54.840 -0.255 0.000 0.748 245 L CB -0.771 41.274 42.059 -0.024 0.000 0.891 245 L HN 0.393 nan 8.230 nan 0.000 0.431 246 A N -0.215 122.218 122.820 -0.645 0.000 1.873 246 A HA -0.156 4.164 4.320 0.001 0.000 0.215 246 A C 2.526 179.665 177.584 -0.743 0.000 1.186 246 A CA 1.672 53.173 52.037 -0.892 0.000 0.616 246 A CB -0.764 17.601 19.000 -1.057 0.000 0.823 246 A HN 0.411 nan 8.150 nan 0.000 0.442 247 A N -0.232 122.041 122.820 -0.911 0.000 1.883 247 A HA -0.202 4.118 4.320 0.001 0.000 0.217 247 A C 2.138 179.445 177.584 -0.462 0.000 1.186 247 A CA 1.932 53.618 52.037 -0.585 0.000 0.624 247 A CB -0.458 18.246 19.000 -0.494 0.000 0.822 247 A HN 0.528 nan 8.150 nan 0.000 0.444 248 K N -1.683 118.359 120.400 -0.597 0.000 2.155 248 K HA -0.148 4.173 4.320 0.001 0.000 0.203 248 K C 2.063 178.263 176.600 -0.667 0.000 1.052 248 K CA 1.283 57.096 56.287 -0.791 0.000 0.948 248 K CB -0.275 31.405 32.500 -1.366 0.000 0.728 248 K HN 0.707 nan 8.250 nan 0.000 0.448 249 H N 0.701 119.418 119.070 -0.589 0.000 2.319 249 H HA -0.114 4.442 4.556 0.001 0.000 0.299 249 H C 1.855 177.031 175.328 -0.253 0.000 1.092 249 H CA 1.659 57.523 56.048 -0.307 0.000 1.302 249 H CB -0.483 29.096 29.762 -0.305 0.000 1.373 249 H HN 0.133 nan 8.280 nan 0.000 0.497 250 C N -0.023 119.025 119.300 -0.419 0.000 2.466 250 C HA 0.011 4.472 4.460 0.001 0.000 0.278 250 C C 3.026 177.864 174.990 -0.254 0.000 1.288 250 C CA 0.752 59.536 59.018 -0.390 0.000 1.722 250 C CB -0.965 26.612 27.740 -0.270 0.000 2.017 250 C HN 0.580 nan 8.230 nan 0.000 0.488 251 I N 0.420 120.860 120.570 -0.216 0.000 2.361 251 I HA -0.222 3.949 4.170 0.001 0.000 0.251 251 I C 2.485 178.513 176.117 -0.147 0.000 1.133 251 I CA 1.313 62.539 61.300 -0.122 0.000 1.413 251 I CB -0.356 37.546 38.000 -0.164 0.000 1.073 251 I HN 0.318 nan 8.210 nan 0.000 0.424 252 M N -0.440 119.035 119.600 -0.209 0.000 2.388 252 M HA -0.077 4.404 4.480 0.001 0.000 0.265 252 M C 2.180 178.398 176.300 -0.137 0.000 1.088 252 M CA 1.330 56.507 55.300 -0.206 0.000 1.134 252 M CB -0.705 31.837 32.600 -0.097 0.000 1.384 252 M HN 0.293 nan 8.290 nan 0.000 0.447 253 Q N 0.030 119.739 119.800 -0.151 0.000 2.046 253 Q HA -0.076 4.265 4.340 0.001 0.000 0.200 253 Q C 2.247 178.196 176.000 -0.086 0.000 0.975 253 Q CA 1.724 57.446 55.803 -0.134 0.000 0.836 253 Q CB -0.208 28.385 28.738 -0.240 0.000 0.896 253 Q HN 0.529 nan 8.270 nan 0.000 0.428 254 A N 1.740 124.514 122.820 -0.077 0.000 1.883 254 A HA -0.256 4.065 4.320 0.001 0.000 0.217 254 A C 1.839 179.588 177.584 0.275 0.000 1.186 254 A CA 1.696 53.751 52.037 0.030 0.000 0.624 254 A CB -0.715 18.322 19.000 0.062 0.000 0.822 254 A HN 0.324 nan 8.150 nan 0.000 0.444 255 N N 0.314 119.170 118.700 0.260 0.000 2.061 255 N HA -0.197 4.544 4.740 0.001 0.000 0.193 255 N C 1.973 177.644 175.510 0.269 0.000 1.030 255 N CA 1.705 54.885 53.050 0.218 0.000 0.856 255 N CB -0.563 37.830 38.487 -0.157 0.000 1.023 255 N HN 0.489 nan 8.380 nan 0.000 0.424 256 A N 1.738 124.629 122.820 0.119 0.000 1.883 256 A HA -0.162 4.158 4.320 0.001 0.000 0.217 256 A C 2.085 179.766 177.584 0.163 0.000 1.186 256 A CA 1.379 53.496 52.037 0.133 0.000 0.624 256 A CB -0.361 18.672 19.000 0.055 0.000 0.822 256 A HN 0.239 nan 8.150 nan 0.000 0.444 257 E N -1.561 118.719 120.200 0.133 0.000 2.152 257 E HA -0.158 4.193 4.350 0.001 0.000 0.192 257 E C 1.818 178.490 176.600 0.121 0.000 0.983 257 E CA 1.278 57.747 56.400 0.114 0.000 0.818 257 E CB -0.382 29.367 29.700 0.080 0.000 0.758 257 E HN 0.843 nan 8.360 nan 0.000 0.467 258 Y N 1.489 121.823 120.300 0.056 0.000 2.200 258 Y HA -0.190 4.361 4.550 0.001 0.000 0.290 258 Y C 2.301 178.155 175.900 -0.076 0.000 1.137 258 Y CA 1.708 59.802 58.100 -0.009 0.000 1.163 258 Y CB -0.232 38.263 38.460 0.059 0.000 0.988 258 Y HN 0.102 nan 8.280 nan 0.000 0.518 259 H N -0.588 118.515 119.070 0.057 0.000 2.389 259 H HA -0.137 4.419 4.556 0.000 0.000 0.299 259 H C 2.004 177.293 175.328 -0.065 0.000 1.081 259 H CA 1.727 57.757 56.048 -0.030 0.000 1.345 259 H CB -0.239 29.596 29.762 0.122 0.000 1.393 259 H HN 0.401 nan 8.280 nan 0.000 0.520 260 Q N 1.085 120.932 119.800 0.078 0.000 2.230 260 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 260 Q C 2.484 178.470 176.000 -0.024 0.000 0.963 260 Q CA 1.389 57.214 55.803 0.037 0.000 0.866 260 Q CB 0.014 28.785 28.738 0.055 0.000 0.931 260 Q HN 0.403 nan 8.270 nan 0.000 0.452 261 S N -0.529 115.123 115.700 -0.080 0.000 2.368 261 S HA -0.117 4.353 4.470 0.001 0.000 0.224 261 S C 1.888 176.398 174.600 -0.151 0.000 1.029 261 S CA 1.109 59.245 58.200 -0.106 0.000 0.988 261 S CB -0.540 62.587 63.200 -0.122 0.000 0.838 261 S HN 0.494 nan 8.310 nan 0.000 0.462 262 I N 0.602 121.032 120.570 -0.233 0.000 2.567 262 I HA -0.089 4.081 4.170 0.001 0.000 0.257 262 I C 2.310 178.348 176.117 -0.133 0.000 1.184 262 I CA 0.686 61.871 61.300 -0.192 0.000 1.451 262 I CB -0.284 37.595 38.000 -0.200 0.000 1.089 262 I HN 0.300 nan 8.210 nan 0.000 0.441 263 L N 0.550 121.711 121.223 -0.102 0.000 2.127 263 L HA 0.028 4.369 4.340 0.001 0.000 0.203 263 L C 2.594 179.373 176.870 -0.151 0.000 1.080 263 L CA 1.636 56.415 54.840 -0.101 0.000 0.768 263 L CB -0.558 41.475 42.059 -0.043 0.000 0.924 263 L HN 0.139 nan 8.230 nan 0.000 0.444 264 A N -0.608 122.148 122.820 -0.107 0.000 1.877 264 A HA -0.268 4.052 4.320 0.001 0.000 0.216 264 A C 2.376 179.765 177.584 -0.325 0.000 1.186 264 A CA 1.968 53.945 52.037 -0.100 0.000 0.620 264 A CB -0.579 18.426 19.000 0.009 0.000 0.822 264 A HN 0.395 nan 8.150 nan 0.000 0.443 265 K N -0.572 119.656 120.400 -0.286 0.000 2.015 265 K HA -0.298 4.023 4.320 0.001 0.000 0.216 265 K C 2.270 178.536 176.600 -0.557 0.000 1.052 265 K CA 2.203 58.273 56.287 -0.361 0.000 0.937 265 K CB -0.279 32.147 32.500 -0.123 0.000 0.719 265 K HN 0.600 nan 8.250 nan 0.000 0.446 266 Q N -0.122 119.413 119.800 -0.441 0.000 2.181 266 Q HA -0.193 4.147 4.340 0.001 0.000 0.205 266 Q C 1.534 177.028 176.000 -0.844 0.000 0.980 266 Q CA 1.631 57.125 55.803 -0.516 0.000 0.862 266 Q CB 0.126 28.679 28.738 -0.308 0.000 0.905 266 Q HN 0.413 nan 8.270 nan 0.000 0.429 267 Q N -1.275 118.029 119.800 -0.826 0.000 2.280 267 Q HA 0.024 4.365 4.340 0.001 0.000 0.201 267 Q C -0.810 174.502 176.000 -1.147 0.000 0.890 267 Q CA -0.159 55.056 55.803 -0.980 0.000 0.947 267 Q CB 0.495 28.671 28.738 -0.937 0.000 1.081 267 Q HN 0.382 nan 8.270 nan 0.000 0.502 268 Y N -3.206 116.572 120.300 -0.870 0.000 4.409 268 Y HA -0.292 4.258 4.550 0.001 0.000 0.228 268 Y C -0.783 174.517 175.900 -1.000 0.000 1.108 268 Y CA -0.136 57.266 58.100 -1.163 0.000 1.955 268 Y CB -2.485 35.609 38.460 -0.609 0.000 1.615 268 Y HN 0.210 nan 8.280 nan 0.000 0.665 269 Y N -0.130 119.828 120.300 -0.570 0.000 2.632 269 Y HA 0.276 4.827 4.550 0.001 0.000 0.336 269 Y C 1.003 176.710 175.900 -0.320 0.000 1.237 269 Y CA -1.455 56.450 58.100 -0.325 0.000 1.595 269 Y CB -0.998 37.350 38.460 -0.186 0.000 1.508 269 Y HN 0.167 nan 8.280 nan 0.000 0.480 270 F N 0.041 120.033 119.950 0.070 0.000 2.163 270 F HA -0.026 4.501 4.527 0.001 0.000 0.297 270 F C 2.361 178.187 175.800 0.043 0.000 1.094 270 F CA 1.145 59.145 58.000 0.001 0.000 1.290 270 F CB -0.282 38.669 39.000 -0.081 0.000 1.017 270 F HN 0.562 nan 8.300 nan 0.000 0.483 271 G N -0.727 108.209 108.800 0.227 0.000 2.422 271 G HA2 -0.231 3.730 3.960 0.001 0.000 0.218 271 G HA3 -0.231 3.730 3.960 0.001 0.000 0.218 271 G C 1.491 176.449 174.900 0.096 0.000 1.140 271 G CA 0.648 45.835 45.100 0.144 0.000 0.775 271 G HN 0.353 nan 8.290 nan 0.000 0.545 272 E N 0.190 120.439 120.200 0.082 0.000 2.106 272 E HA -0.117 4.234 4.350 0.001 0.000 0.192 272 E C 2.213 178.846 176.600 0.054 0.000 0.984 272 E CA 0.784 57.214 56.400 0.050 0.000 0.806 272 E CB -0.113 29.609 29.700 0.037 0.000 0.750 272 E HN 0.620 nan 8.360 nan 0.000 0.458 273 E N 0.398 120.639 120.200 0.068 0.000 2.058 273 E HA -0.200 4.150 4.350 0.001 0.000 0.194 273 E C 2.146 178.787 176.600 0.068 0.000 0.997 273 E CA 1.148 57.581 56.400 0.055 0.000 0.801 273 E CB -0.055 29.698 29.700 0.089 0.000 0.746 273 E HN 0.301 nan 8.360 nan 0.000 0.450 274 I N 0.689 121.314 120.570 0.092 0.000 2.315 274 I HA -0.227 3.943 4.170 0.001 0.000 0.248 274 I C 2.465 178.619 176.117 0.063 0.000 1.117 274 I CA 1.022 62.370 61.300 0.081 0.000 1.404 274 I CB -0.182 37.872 38.000 0.090 0.000 1.071 274 I HN 0.151 nan 8.210 nan 0.000 0.419 275 A N 0.509 123.362 122.820 0.056 0.000 1.968 275 A HA -0.101 4.219 4.320 0.001 0.000 0.217 275 A C 2.367 179.990 177.584 0.065 0.000 1.169 275 A CA 1.049 53.113 52.037 0.045 0.000 0.638 275 A CB -0.360 18.655 19.000 0.024 0.000 0.812 275 A HN 0.296 nan 8.150 nan 0.000 0.446 276 R N -0.659 119.881 120.500 0.066 0.000 2.093 276 R HA 0.138 4.479 4.340 0.001 0.000 0.224 276 R C 1.894 178.247 176.300 0.088 0.000 1.101 276 R CA 0.904 57.058 56.100 0.089 0.000 0.979 276 R CB -0.386 29.952 30.300 0.064 0.000 0.877 276 R HN 0.454 nan 8.270 nan 0.000 0.441 277 L N 0.811 122.074 121.223 0.066 0.000 2.083 277 L HA -0.206 4.134 4.340 0.001 0.000 0.209 277 L C 2.462 179.357 176.870 0.042 0.000 1.083 277 L CA 1.451 56.328 54.840 0.062 0.000 0.752 277 L CB -0.334 41.764 42.059 0.065 0.000 0.899 277 L HN 0.244 nan 8.230 nan 0.000 0.433 278 Q N -1.203 118.631 119.800 0.057 0.000 2.046 278 Q HA -0.242 4.099 4.340 0.001 0.000 0.200 278 Q C 2.165 178.212 176.000 0.078 0.000 0.975 278 Q CA 1.546 57.379 55.803 0.050 0.000 0.836 278 Q CB -0.218 28.549 28.738 0.049 0.000 0.896 278 Q HN 0.570 nan 8.270 nan 0.000 0.428 279 H N -0.095 118.966 119.070 -0.017 0.000 2.267 279 H HA -0.164 4.393 4.556 0.001 0.000 0.297 279 H C 2.016 177.320 175.328 -0.040 0.000 1.080 279 H CA 1.154 57.187 56.048 -0.025 0.000 1.278 279 H CB 0.112 29.864 29.762 -0.016 0.000 1.365 279 H HN 0.312 nan 8.280 nan 0.000 0.489 280 A N 1.295 124.048 122.820 -0.112 0.000 1.915 280 A HA -0.294 4.026 4.320 0.001 0.000 0.220 280 A C 2.642 180.098 177.584 -0.213 0.000 1.198 280 A CA 2.372 54.300 52.037 -0.183 0.000 0.647 280 A CB -1.308 17.636 19.000 -0.095 0.000 0.825 280 A HN 0.650 nan 8.150 nan 0.000 0.456 281 A N -0.957 121.776 122.820 -0.145 0.000 1.902 281 A HA -0.183 4.137 4.320 0.001 0.000 0.217 281 A C 2.062 179.580 177.584 -0.110 0.000 1.181 281 A CA 1.852 53.805 52.037 -0.139 0.000 0.623 281 A CB -0.567 18.384 19.000 -0.082 0.000 0.818 281 A HN 0.692 nan 8.150 nan 0.000 0.443 282 E N -0.204 119.955 120.200 -0.068 0.000 2.031 282 E HA -0.177 4.173 4.350 0.001 0.000 0.193 282 E C 1.954 178.508 176.600 -0.077 0.000 0.994 282 E CA 1.248 57.623 56.400 -0.041 0.000 0.800 282 E CB -0.229 29.490 29.700 0.032 0.000 0.752 282 E HN 0.614 nan 8.360 nan 0.000 0.447 283 L N 0.695 121.836 121.223 -0.137 0.000 2.127 283 L HA -0.214 4.126 4.340 0.001 0.000 0.211 283 L C 2.363 179.158 176.870 -0.125 0.000 1.089 283 L CA 0.626 55.369 54.840 -0.162 0.000 0.757 283 L CB -0.231 41.666 42.059 -0.270 0.000 0.899 283 L HN 0.308 nan 8.230 nan 0.000 0.434 284 I N -0.742 119.743 120.570 -0.142 0.000 2.731 284 I HA -0.149 4.022 4.170 0.001 0.000 0.260 284 I C 2.424 178.486 176.117 -0.093 0.000 1.138 284 I CA 0.892 62.117 61.300 -0.124 0.000 1.461 284 I CB -0.702 37.163 38.000 -0.225 0.000 1.128 284 I HN 0.228 nan 8.210 nan 0.000 0.438 285 K N 0.836 121.178 120.400 -0.097 0.000 2.034 285 K HA -0.224 4.096 4.320 0.001 0.000 0.214 285 K C 2.060 178.621 176.600 -0.064 0.000 1.051 285 K CA 2.381 58.624 56.287 -0.073 0.000 0.931 285 K CB 0.009 32.470 32.500 -0.064 0.000 0.715 285 K HN 0.197 nan 8.250 nan 0.000 0.446 286 T N 0.393 114.908 114.554 -0.064 0.000 2.777 286 T HA -0.102 4.249 4.350 0.001 0.000 0.266 286 T C 1.834 176.496 174.700 -0.064 0.000 1.040 286 T CA 1.294 63.354 62.100 -0.068 0.000 1.141 286 T CB -0.105 68.729 68.868 -0.057 0.000 0.868 286 T HN -0.006 nan 8.240 nan 0.000 0.444 287 V N 1.745 121.654 119.914 -0.009 0.000 2.287 287 V HA -0.212 3.908 4.120 0.001 0.000 0.248 287 V C 2.861 178.983 176.094 0.047 0.000 1.053 287 V CA 1.833 64.187 62.300 0.090 0.000 1.027 287 V CB -1.183 30.678 31.823 0.064 0.000 0.646 287 V HN 0.534 nan 8.190 nan 0.000 0.447 288 A N 0.582 123.400 122.820 -0.003 0.000 1.902 288 A HA -0.218 4.102 4.320 0.001 0.000 0.217 288 A C 2.505 180.067 177.584 -0.038 0.000 1.181 288 A CA 2.469 54.499 52.037 -0.011 0.000 0.623 288 A CB -0.751 18.235 19.000 -0.025 0.000 0.818 288 A HN 0.667 nan 8.150 nan 0.000 0.443 289 S N -0.326 115.333 115.700 -0.069 0.000 2.355 289 S HA -0.158 4.312 4.470 0.001 0.000 0.222 289 S C 2.037 176.556 174.600 -0.135 0.000 1.031 289 S CA 1.234 59.382 58.200 -0.088 0.000 0.993 289 S CB -0.402 62.749 63.200 -0.083 0.000 0.859 289 S HN 0.630 nan 8.310 nan 0.000 0.453 290 R N 0.197 120.546 120.500 -0.252 0.000 2.127 290 R HA 0.102 4.442 4.340 0.001 0.000 0.217 290 R C 0.576 176.576 176.300 -0.500 0.000 1.074 290 R CA 0.789 56.607 56.100 -0.470 0.000 0.991 290 R CB 0.014 29.853 30.300 -0.770 0.000 0.895 290 R HN 0.569 nan 8.270 nan 0.000 0.450 291 Y N 0.881 121.210 120.300 0.048 0.000 2.696 291 Y HA 0.108 4.658 4.550 0.000 0.000 0.260 291 Y C 0.919 176.883 175.900 0.108 0.000 1.165 291 Y CA -0.673 57.511 58.100 0.139 0.000 1.189 291 Y CB 0.502 39.013 38.460 0.085 0.000 1.180 291 Y HN 0.182 nan 8.280 nan 0.000 0.538 292 D N 0.579 121.036 120.400 0.096 0.000 2.203 292 D HA -0.267 4.373 4.640 0.001 0.000 0.199 292 D C 1.077 177.364 176.300 -0.023 0.000 0.997 292 D CA 1.501 55.517 54.000 0.027 0.000 0.863 292 D CB -0.058 40.732 40.800 -0.016 0.000 0.928 292 D HN 0.485 nan 8.370 nan 0.000 0.458 293 E N -0.693 119.439 120.200 -0.114 0.000 2.204 293 E HA -0.136 4.215 4.350 0.001 0.000 0.194 293 E C 1.144 177.521 176.600 -0.371 0.000 0.989 293 E CA 0.781 56.967 56.400 -0.357 0.000 0.824 293 E CB -0.096 29.171 29.700 -0.722 0.000 0.756 293 E HN 0.550 nan 8.360 nan 0.000 0.477 294 Y N -0.911 119.417 120.300 0.048 0.000 2.444 294 Y HA 0.133 4.683 4.550 0.001 0.000 0.252 294 Y C 0.618 176.511 175.900 -0.012 0.000 1.091 294 Y CA -0.472 57.639 58.100 0.019 0.000 1.276 294 Y CB 1.052 39.516 38.460 0.007 0.000 1.170 294 Y HN -0.170 nan 8.280 nan 0.000 0.517 295 V N -2.206 117.783 119.914 0.125 0.000 3.049 295 V HA 0.591 4.712 4.120 0.001 0.000 0.309 295 V C -1.271 174.845 176.094 0.038 0.000 1.148 295 V CA -1.108 61.223 62.300 0.052 0.000 0.990 295 V CB 2.333 34.168 31.823 0.020 0.000 1.039 295 V HN 0.039 nan 8.190 nan 0.000 0.430 296 N N 1.194 119.907 118.700 0.023 0.000 2.342 296 N HA 0.686 5.427 4.740 0.001 0.000 0.293 296 N C -0.605 174.924 175.510 0.032 0.000 1.026 296 N CA -0.261 52.803 53.050 0.024 0.000 0.857 296 N CB 2.156 40.657 38.487 0.022 0.000 1.256 296 N HN 0.695 nan 8.380 nan 0.000 0.484 297 V N 3.420 123.357 119.914 0.039 0.000 3.432 297 V HA 0.097 4.218 4.120 0.001 0.000 0.290 297 V C 1.676 177.807 176.094 0.063 0.000 1.591 297 V CA 0.055 62.397 62.300 0.069 0.000 1.069 297 V CB 0.069 31.927 31.823 0.059 0.000 0.892 297 V HN 0.609 nan 8.190 nan 0.000 0.436 298 K N 1.447 121.867 120.400 0.032 0.000 2.015 298 K HA -0.227 4.093 4.320 0.001 0.000 0.216 298 K C 1.600 178.215 176.600 0.025 0.000 1.052 298 K CA 2.761 59.057 56.287 0.015 0.000 0.937 298 K CB -0.313 32.193 32.500 0.009 0.000 0.719 298 K HN 0.518 nan 8.250 nan 0.000 0.446 299 D N -0.358 120.070 120.400 0.047 0.000 2.106 299 D HA -0.205 4.436 4.640 0.001 0.000 0.191 299 D C 1.836 178.191 176.300 0.092 0.000 0.997 299 D CA 1.235 55.267 54.000 0.053 0.000 0.834 299 D CB -0.517 40.313 40.800 0.052 0.000 0.956 299 D HN 0.200 nan 8.370 nan 0.000 0.448 300 F N 1.672 121.573 119.950 -0.082 0.000 2.120 300 F HA -0.232 4.295 4.527 0.000 0.000 0.300 300 F C 2.605 178.317 175.800 -0.146 0.000 1.095 300 F CA 1.407 59.324 58.000 -0.137 0.000 1.249 300 F CB -0.757 38.174 39.000 -0.116 0.000 0.995 300 F HN -0.109 nan 8.300 nan 0.000 0.480 301 S N -0.300 115.315 115.700 -0.142 0.000 2.368 301 S HA -0.168 4.303 4.470 0.001 0.000 0.224 301 S C 1.837 176.340 174.600 -0.163 0.000 1.029 301 S CA 1.590 59.650 58.200 -0.234 0.000 0.988 301 S CB -0.495 62.626 63.200 -0.132 0.000 0.838 301 S HN 0.416 nan 8.310 nan 0.000 0.462 302 D N 1.230 121.580 120.400 -0.083 0.000 2.117 302 D HA -0.076 4.564 4.640 0.001 0.000 0.197 302 D C 1.989 178.255 176.300 -0.058 0.000 0.987 302 D CA 0.971 54.940 54.000 -0.052 0.000 0.829 302 D CB -0.307 40.481 40.800 -0.019 0.000 0.961 302 D HN 0.419 nan 8.370 nan 0.000 0.460 303 K N 0.411 120.769 120.400 -0.071 0.000 2.026 303 K HA -0.104 4.217 4.320 0.001 0.000 0.208 303 K C 2.255 178.782 176.600 -0.120 0.000 1.048 303 K CA 0.705 56.944 56.287 -0.080 0.000 0.929 303 K CB -0.223 32.221 32.500 -0.093 0.000 0.713 303 K HN 0.135 nan 8.250 nan 0.000 0.439 304 I N 1.736 122.147 120.570 -0.265 0.000 2.127 304 I HA -0.358 3.813 4.170 0.001 0.000 0.241 304 I C 1.971 178.051 176.117 -0.062 0.000 1.075 304 I CA 1.307 62.491 61.300 -0.194 0.000 1.334 304 I CB -0.527 37.241 38.000 -0.386 0.000 1.040 304 I HN 0.211 nan 8.210 nan 0.000 0.405 305 N N 0.957 119.607 118.700 -0.083 0.000 2.069 305 N HA -0.184 4.556 4.740 0.001 0.000 0.191 305 N C 1.907 177.418 175.510 0.002 0.000 1.031 305 N CA 1.367 54.395 53.050 -0.036 0.000 0.852 305 N CB -0.449 38.013 38.487 -0.042 0.000 1.018 305 N HN 0.340 nan 8.380 nan 0.000 0.423 306 R N 0.589 121.094 120.500 0.009 0.000 2.083 306 R HA -0.041 4.300 4.340 0.001 0.000 0.237 306 R C 2.200 178.536 176.300 0.060 0.000 1.137 306 R CA 1.489 57.609 56.100 0.033 0.000 0.951 306 R CB -0.380 29.942 30.300 0.036 0.000 0.851 306 R HN 0.233 nan 8.270 nan 0.000 0.434 307 A N 0.931 123.807 122.820 0.093 0.000 1.933 307 A HA -0.149 4.172 4.320 0.001 0.000 0.218 307 A C 2.047 179.685 177.584 0.091 0.000 1.175 307 A CA 1.056 53.167 52.037 0.124 0.000 0.628 307 A CB -0.382 18.754 19.000 0.227 0.000 0.814 307 A HN 0.251 nan 8.150 nan 0.000 0.444 308 L N -0.454 120.811 121.223 0.070 0.000 2.072 308 L HA 0.078 4.418 4.340 0.001 0.000 0.205 308 L C 2.617 179.519 176.870 0.054 0.000 1.079 308 L CA 2.075 56.950 54.840 0.057 0.000 0.752 308 L CB -0.868 41.211 42.059 0.034 0.000 0.906 308 L HN 0.309 nan 8.230 nan 0.000 0.436 309 A N -0.133 122.714 122.820 0.045 0.000 1.858 309 A HA -0.106 4.214 4.320 0.001 0.000 0.216 309 A C 2.482 180.099 177.584 0.056 0.000 1.190 309 A CA 2.004 54.069 52.037 0.045 0.000 0.617 309 A CB -1.382 17.638 19.000 0.034 0.000 0.827 309 A HN 0.576 nan 8.150 nan 0.000 0.443 310 A N -0.185 122.669 122.820 0.057 0.000 1.917 310 A HA 0.043 4.363 4.320 0.001 0.000 0.219 310 A C 2.482 180.111 177.584 0.075 0.000 1.182 310 A CA 2.506 54.579 52.037 0.061 0.000 0.633 310 A CB -1.029 18.009 19.000 0.063 0.000 0.819 310 A HN 1.167 nan 8.150 nan 0.000 0.448 311 A N -0.899 121.973 122.820 0.087 0.000 1.968 311 A HA -0.071 4.249 4.320 0.001 0.000 0.217 311 A C 2.106 179.747 177.584 0.094 0.000 1.169 311 A CA 1.504 53.606 52.037 0.108 0.000 0.638 311 A CB -0.278 18.798 19.000 0.126 0.000 0.812 311 A HN 0.474 nan 8.150 nan 0.000 0.446 312 K N -0.202 120.245 120.400 0.079 0.000 2.167 312 K HA -0.086 4.234 4.320 0.001 0.000 0.203 312 K C 2.070 178.717 176.600 0.078 0.000 1.052 312 K CA 1.182 57.510 56.287 0.068 0.000 0.956 312 K CB -0.115 32.419 32.500 0.056 0.000 0.735 312 K HN 0.543 nan 8.250 nan 0.000 0.451 313 K N 1.513 121.973 120.400 0.100 0.000 1.985 313 K HA -0.182 4.138 4.320 0.001 0.000 0.210 313 K C 1.459 178.145 176.600 0.143 0.000 1.047 313 K CA 1.896 58.282 56.287 0.165 0.000 0.932 313 K CB -0.016 32.545 32.500 0.101 0.000 0.716 313 K HN -0.060 nan 8.250 nan 0.000 0.439 314 D N 0.247 120.676 120.400 0.048 0.000 2.221 314 D HA -0.160 4.480 4.640 0.001 0.000 0.204 314 D C 1.640 177.878 176.300 -0.102 0.000 0.982 314 D CA 1.113 55.085 54.000 -0.047 0.000 0.857 314 D CB -0.235 40.580 40.800 0.025 0.000 0.934 314 D HN 0.313 nan 8.370 nan 0.000 0.475 315 N N 0.201 118.895 118.700 -0.011 0.000 2.305 315 N HA -0.094 4.646 4.740 0.001 0.000 0.179 315 N C 1.109 176.536 175.510 -0.140 0.000 1.019 315 N CA 0.864 53.900 53.050 -0.024 0.000 0.869 315 N CB 0.215 38.740 38.487 0.063 0.000 1.000 315 N HN -0.113 nan 8.380 nan 0.000 0.431 316 D N -0.629 119.716 120.400 -0.090 0.000 2.117 316 D HA -0.103 4.537 4.640 0.001 0.000 0.197 316 D C 1.338 177.446 176.300 -0.320 0.000 0.987 316 D CA 1.049 54.948 54.000 -0.169 0.000 0.829 316 D CB -0.182 40.491 40.800 -0.211 0.000 0.961 316 D HN 0.321 nan 8.370 nan 0.000 0.460 317 F N -0.013 119.817 119.950 -0.199 0.000 2.243 317 F HA 0.165 4.692 4.527 0.001 0.000 0.287 317 F C 2.267 177.794 175.800 -0.455 0.000 1.067 317 F CA 0.367 58.248 58.000 -0.198 0.000 1.304 317 F CB -0.105 38.811 39.000 -0.141 0.000 1.087 317 F HN -0.137 nan 8.300 nan 0.000 0.513 318 I N -1.844 118.471 120.570 -0.425 0.000 2.956 318 I HA -0.145 4.026 4.170 0.001 0.000 0.233 318 I C 1.884 177.540 176.117 -0.768 0.000 1.054 318 I CA 0.740 61.664 61.300 -0.627 0.000 1.456 318 I CB -0.975 36.521 38.000 -0.841 0.000 1.297 318 I HN -0.039 nan 8.210 nan 0.000 0.448 319 Y N 0.458 120.497 120.300 -0.435 0.000 2.274 319 Y HA -0.172 4.378 4.550 0.001 0.000 0.290 319 Y C 0.808 176.638 175.900 -0.117 0.000 1.145 319 Y CA 1.200 59.140 58.100 -0.267 0.000 1.203 319 Y CB -0.707 37.530 38.460 -0.371 0.000 0.984 319 Y HN 0.260 nan 8.280 nan 0.000 0.533 320 H N -0.749 118.387 119.070 0.109 0.000 2.741 320 H HA -0.193 4.364 4.556 0.001 0.000 0.305 320 H C -0.637 174.759 175.328 0.113 0.000 1.169 320 H CA 0.239 56.332 56.048 0.074 0.000 1.144 320 H CB -1.568 28.215 29.762 0.035 0.000 1.397 320 H HN 0.252 nan 8.280 nan 0.000 0.409 321 D N 0.487 121.022 120.400 0.225 0.000 2.350 321 D HA 0.186 4.826 4.640 0.001 0.000 0.249 321 D C 0.678 177.071 176.300 0.154 0.000 1.119 321 D CA -0.605 53.524 54.000 0.215 0.000 0.886 321 D CB 0.669 41.643 40.800 0.290 0.000 1.195 321 D HN 0.388 nan 8.370 nan 0.000 0.437 322 R N 2.253 122.825 120.500 0.120 0.000 2.389 322 R HA 0.305 4.646 4.340 0.001 0.000 0.295 322 R C -1.243 175.102 176.300 0.074 0.000 1.075 322 R CA -0.458 55.691 56.100 0.081 0.000 1.005 322 R CB 0.535 30.870 30.300 0.058 0.000 0.987 322 R HN 0.152 nan 8.270 nan 0.000 0.452 323 V N 8.058 128.008 119.914 0.060 0.000 2.408 323 V HA 0.297 4.418 4.120 0.001 0.000 0.267 323 V C -1.495 174.614 176.094 0.025 0.000 1.047 323 V CA -1.401 60.928 62.300 0.049 0.000 0.937 323 V CB 0.612 32.463 31.823 0.047 0.000 0.999 323 V HN 0.929 nan 8.190 nan 0.000 0.472 324 P HA 0.307 nan 4.420 nan 0.000 0.277 324 P C -0.748 176.545 177.300 -0.012 0.000 1.271 324 P CA -0.541 62.556 63.100 -0.005 0.000 0.795 324 P CB 0.961 32.649 31.700 -0.019 0.000 1.101 325 D N -0.307 120.080 120.400 -0.022 0.000 2.283 325 D HA 0.155 4.795 4.640 0.001 0.000 0.248 325 D C 1.640 177.910 176.300 -0.049 0.000 1.072 325 D CA -0.378 53.603 54.000 -0.033 0.000 0.929 325 D CB 1.096 41.877 40.800 -0.031 0.000 1.182 325 D HN 0.203 nan 8.370 nan 0.000 0.433 326 L N 1.911 123.089 121.223 -0.075 0.000 2.043 326 L HA -0.254 4.086 4.340 0.001 0.000 0.212 326 L C 2.335 179.155 176.870 -0.084 0.000 1.075 326 L CA 1.508 56.283 54.840 -0.108 0.000 0.752 326 L CB -0.631 41.303 42.059 -0.209 0.000 0.891 326 L HN 0.472 nan 8.230 nan 0.000 0.432 327 K N -0.534 119.824 120.400 -0.070 0.000 2.211 327 K HA -0.192 4.128 4.320 0.001 0.000 0.204 327 K C 0.895 177.470 176.600 -0.042 0.000 1.047 327 K CA 1.920 58.176 56.287 -0.051 0.000 0.935 327 K CB -0.339 32.137 32.500 -0.040 0.000 0.728 327 K HN 0.195 nan 8.250 nan 0.000 0.452 328 D N 0.645 121.019 120.400 -0.043 0.000 2.340 328 D HA 0.154 4.795 4.640 0.001 0.000 0.220 328 D C -0.208 176.064 176.300 -0.048 0.000 1.039 328 D CA 0.217 54.193 54.000 -0.041 0.000 0.866 328 D CB 0.139 40.916 40.800 -0.039 0.000 0.913 328 D HN 0.171 nan 8.370 nan 0.000 0.523 329 L N 1.151 122.346 121.223 -0.047 0.000 2.312 329 L HA 0.218 4.559 4.340 0.001 0.000 0.281 329 L C 0.473 177.321 176.870 -0.037 0.000 1.070 329 L CA -0.835 53.977 54.840 -0.046 0.000 0.805 329 L CB 0.966 43.003 42.059 -0.036 0.000 1.174 329 L HN -0.179 nan 8.230 nan 0.000 0.434 330 D N 4.003 124.379 120.400 -0.040 0.000 2.472 330 D HA 0.077 4.717 4.640 0.001 0.000 0.237 330 D C -1.912 174.381 176.300 -0.012 0.000 1.141 330 D CA -0.462 53.522 54.000 -0.028 0.000 0.875 330 D CB 0.381 41.162 40.800 -0.032 0.000 1.192 330 D HN 0.309 nan 8.370 nan 0.000 0.450 331 P HA 0.118 nan 4.420 nan 0.000 0.268 331 P C 0.118 177.422 177.300 0.007 0.000 1.205 331 P CA -0.127 62.974 63.100 0.002 0.000 0.771 331 P CB 0.681 32.380 31.700 -0.001 0.000 0.858 332 I N 1.348 121.928 120.570 0.017 0.000 2.575 332 I HA 0.171 4.342 4.170 0.001 0.000 0.285 332 I C 1.697 177.820 176.117 0.009 0.000 1.085 332 I CA -0.040 61.272 61.300 0.020 0.000 1.403 332 I CB 0.437 38.458 38.000 0.035 0.000 1.409 332 I HN 0.422 nan 8.210 nan 0.000 0.557 333 G N 5.452 114.255 108.800 0.006 0.000 2.583 333 G HA2 0.327 4.287 3.960 0.001 0.000 0.275 333 G HA3 0.327 4.287 3.960 0.001 0.000 0.275 333 G C -0.489 174.403 174.900 -0.013 0.000 1.342 333 G CA -0.468 44.629 45.100 -0.005 0.000 1.030 333 G HN 0.617 nan 8.290 nan 0.000 0.520 334 K N -1.189 119.195 120.400 -0.026 0.000 2.469 334 K HA 0.625 4.945 4.320 0.001 0.000 0.254 334 K C -1.229 175.344 176.600 -0.044 0.000 0.939 334 K CA -0.712 55.547 56.287 -0.048 0.000 0.812 334 K CB 2.648 35.099 32.500 -0.083 0.000 1.301 334 K HN 0.636 nan 8.250 nan 0.000 0.433 335 A N 1.424 124.216 122.820 -0.046 0.000 2.476 335 A HA 0.366 4.686 4.320 0.001 0.000 0.280 335 A C -0.857 176.703 177.584 -0.041 0.000 1.081 335 A CA -0.521 51.494 52.037 -0.037 0.000 0.753 335 A CB 1.648 20.638 19.000 -0.017 0.000 1.248 335 A HN 0.499 nan 8.150 nan 0.000 0.424 336 T N 1.682 116.209 114.554 -0.044 0.000 2.845 336 T HA 0.485 4.835 4.350 0.001 0.000 0.288 336 T C 0.006 174.661 174.700 -0.076 0.000 0.980 336 T CA -0.033 62.057 62.100 -0.016 0.000 1.071 336 T CB 0.256 69.159 68.868 0.057 0.000 0.941 336 T HN 0.471 nan 8.240 nan 0.000 0.487 337 L N 5.576 126.703 121.223 -0.159 0.000 3.069 337 L HA 0.541 4.882 4.340 0.001 0.000 0.271 337 L C -0.293 176.300 176.870 -0.462 0.000 1.201 337 L CA 0.363 54.968 54.840 -0.393 0.000 1.015 337 L CB 0.583 42.242 42.059 -0.667 0.000 1.371 337 L HN 0.440 nan 8.230 nan 0.000 0.574 338 V N -0.502 119.297 119.914 -0.192 0.000 3.078 338 V HA 0.583 4.704 4.120 0.001 0.000 0.311 338 V C -0.815 175.254 176.094 -0.041 0.000 1.138 338 V CA -0.730 61.508 62.300 -0.102 0.000 1.007 338 V CB 3.253 35.069 31.823 -0.012 0.000 1.045 338 V HN 0.137 nan 8.190 nan 0.000 0.432 339 K N 1.130 121.512 120.400 -0.030 0.000 2.562 339 K HA 0.488 4.808 4.320 0.001 0.000 0.267 339 K C -1.069 175.511 176.600 -0.033 0.000 0.938 339 K CA -0.535 55.733 56.287 -0.031 0.000 0.840 339 K CB 2.247 34.735 32.500 -0.020 0.000 1.390 339 K HN 0.620 nan 8.250 nan 0.000 0.428 340 S N 1.591 117.261 115.700 -0.050 0.000 2.481 340 S HA 0.056 4.526 4.470 0.001 0.000 0.282 340 S C -0.373 174.198 174.600 -0.048 0.000 1.243 340 S CA -0.111 58.056 58.200 -0.056 0.000 1.078 340 S CB 0.343 63.507 63.200 -0.061 0.000 0.916 340 S HN 0.405 nan 8.310 nan 0.000 0.495 341 T N 7.040 121.561 114.554 -0.054 0.000 2.784 341 T HA 0.161 4.512 4.350 0.001 0.000 0.291 341 T C -2.147 172.500 174.700 -0.088 0.000 0.942 341 T CA -0.813 61.261 62.100 -0.043 0.000 1.161 341 T CB -0.010 68.863 68.868 0.010 0.000 0.885 341 T HN 0.328 nan 8.240 nan 0.000 0.534 342 P HA 0.110 nan 4.420 nan 0.000 0.266 342 P C -0.591 176.639 177.300 -0.116 0.000 1.195 342 P CA -0.327 62.732 63.100 -0.067 0.000 0.768 342 P CB 0.431 32.112 31.700 -0.032 0.000 0.838 343 V N 4.745 124.535 119.914 -0.207 0.000 2.385 343 V HA 0.221 4.341 4.120 0.001 0.000 0.269 343 V C 0.176 176.130 176.094 -0.234 0.000 1.043 343 V CA 0.148 62.266 62.300 -0.303 0.000 0.906 343 V CB 0.046 31.509 31.823 -0.601 0.000 0.995 343 V HN 0.561 nan 8.190 nan 0.000 0.467 344 N N 2.676 121.311 118.700 -0.109 0.000 2.558 344 N HA 0.382 5.123 4.740 0.001 0.000 0.285 344 N C -0.599 174.892 175.510 -0.032 0.000 1.112 344 N CA -0.614 52.400 53.050 -0.059 0.000 0.857 344 N CB 2.187 40.658 38.487 -0.028 0.000 1.376 344 N HN 0.600 nan 8.380 nan 0.000 0.526 345 V N 1.391 121.282 119.914 -0.038 0.000 2.617 345 V HA 0.333 4.453 4.120 0.001 0.000 0.304 345 V C -1.831 174.241 176.094 -0.037 0.000 1.040 345 V CA -0.943 61.313 62.300 -0.073 0.000 1.149 345 V CB -0.216 31.526 31.823 -0.136 0.000 0.914 345 V HN 0.493 nan 8.190 nan 0.000 0.487 346 P HA 0.437 nan 4.420 nan 0.000 0.290 346 P C 0.547 177.809 177.300 -0.064 0.000 1.276 346 P CA -0.598 62.413 63.100 -0.148 0.000 0.808 346 P CB 1.610 33.291 31.700 -0.031 0.000 0.966 347 I N -0.427 120.103 120.570 -0.067 0.000 3.860 347 I HA 0.093 4.263 4.170 0.001 0.000 0.319 347 I C 0.421 176.518 176.117 -0.033 0.000 1.279 347 I CA -0.243 61.058 61.300 0.001 0.000 1.220 347 I CB -0.149 37.906 38.000 0.091 0.000 1.027 347 I HN 0.125 nan 8.210 nan 0.000 0.428 348 S N 0.696 116.368 115.700 -0.046 0.000 2.617 348 S HA 0.454 4.924 4.470 0.001 0.000 0.283 348 S C -0.219 174.410 174.600 0.048 0.000 1.189 348 S CA -0.730 57.468 58.200 -0.004 0.000 1.036 348 S CB 1.415 64.633 63.200 0.030 0.000 1.014 348 S HN 0.339 nan 8.310 nan 0.000 0.522 349 Q N 0.752 120.577 119.800 0.041 0.000 2.364 349 Q HA 0.279 4.619 4.340 0.001 0.000 0.267 349 Q C -0.540 175.520 176.000 0.100 0.000 0.999 349 Q CA -0.136 55.700 55.803 0.056 0.000 0.886 349 Q CB 0.221 28.976 28.738 0.028 0.000 1.243 349 Q HN 0.674 nan 8.270 nan 0.000 0.415 350 K N 0.554 121.014 120.400 0.100 0.000 3.117 350 K HA -0.202 4.119 4.320 0.001 0.000 0.269 350 K C -0.884 175.801 176.600 0.141 0.000 1.098 350 K CA 0.349 56.692 56.287 0.094 0.000 0.785 350 K CB -1.671 30.866 32.500 0.061 0.000 1.242 350 K HN 0.522 nan 8.250 nan 0.000 0.491 351 F N 1.194 121.160 119.950 0.027 0.000 2.484 351 F HA 0.340 4.867 4.527 0.001 0.000 0.360 351 F C 0.540 176.363 175.800 0.037 0.000 1.101 351 F CA 0.197 58.219 58.000 0.037 0.000 1.251 351 F CB 0.657 39.681 39.000 0.040 0.000 1.132 351 F HN 0.121 nan 8.300 nan 0.000 0.570 352 T N 3.011 117.047 114.554 -0.864 0.000 2.937 352 T HA 0.204 4.554 4.350 0.001 0.000 0.297 352 T C -1.097 172.997 174.700 -1.009 0.000 0.991 352 T CA -0.972 60.652 62.100 -0.793 0.000 0.990 352 T CB 1.241 69.921 68.868 -0.313 0.000 0.991 352 T HN 0.524 nan 8.240 nan 0.000 0.440 353 D N 2.859 122.783 120.400 -0.794 0.000 2.344 353 D HA 0.162 4.803 4.640 0.001 0.000 0.253 353 D C 1.292 177.550 176.300 -0.069 0.000 1.255 353 D CA -0.729 53.101 54.000 -0.283 0.000 0.894 353 D CB 0.380 41.181 40.800 0.001 0.000 1.067 353 D HN 0.545 nan 8.370 nan 0.000 0.492 354 L N 2.864 124.083 121.223 -0.007 0.000 2.189 354 L HA -0.160 4.181 4.340 0.001 0.000 0.214 354 L C 1.229 177.987 176.870 -0.187 0.000 1.097 354 L CA 0.908 55.667 54.840 -0.134 0.000 0.764 354 L CB -0.424 41.498 42.059 -0.229 0.000 0.900 354 L HN 0.403 nan 8.230 nan 0.000 0.436 355 F N -0.909 119.116 119.950 0.124 0.000 2.647 355 F HA 0.115 4.643 4.527 0.001 0.000 0.300 355 F C 2.012 177.855 175.800 0.072 0.000 1.106 355 F CA -0.330 57.751 58.000 0.136 0.000 1.313 355 F CB -0.394 38.678 39.000 0.119 0.000 1.007 355 F HN 0.014 nan 8.300 nan 0.000 0.536 356 E N 1.240 121.551 120.200 0.186 0.000 2.086 356 E HA -0.287 4.064 4.350 0.001 0.000 0.200 356 E C 1.901 178.569 176.600 0.113 0.000 1.012 356 E CA 1.760 58.229 56.400 0.115 0.000 0.812 356 E CB 0.152 29.881 29.700 0.049 0.000 0.743 356 E HN 0.022 nan 8.360 nan 0.000 0.453 357 K N 0.276 120.761 120.400 0.142 0.000 2.209 357 K HA -0.020 4.300 4.320 0.001 0.000 0.204 357 K C 0.842 177.556 176.600 0.190 0.000 1.048 357 K CA 0.677 57.057 56.287 0.154 0.000 0.940 357 K CB -0.295 32.292 32.500 0.145 0.000 0.729 357 K HN 0.302 nan 8.250 nan 0.000 0.451 358 M N 1.263 120.958 119.600 0.157 0.000 2.252 358 M HA -0.014 4.466 4.480 0.001 0.000 0.348 358 M C -0.765 175.535 176.300 0.001 0.000 1.334 358 M CA -0.031 55.221 55.300 -0.079 0.000 1.071 358 M CB 0.564 32.916 32.600 -0.413 0.000 1.763 358 M HN -0.232 nan 8.290 nan 0.000 0.452 359 V N 7.685 127.637 119.914 0.062 0.000 2.555 359 V HA 0.237 4.357 4.120 0.001 0.000 0.286 359 V C -2.065 174.037 176.094 0.013 0.000 1.044 359 V CA -1.429 60.914 62.300 0.073 0.000 1.026 359 V CB 0.212 32.117 31.823 0.136 0.000 0.981 359 V HN 0.769 nan 8.190 nan 0.000 0.480 360 P HA 0.081 nan 4.420 nan 0.000 0.264 360 P C 1.092 178.374 177.300 -0.030 0.000 1.193 360 P CA 0.072 63.155 63.100 -0.028 0.000 0.763 360 P CB 0.687 32.383 31.700 -0.006 0.000 0.810 361 V N 2.834 122.714 119.914 -0.058 0.000 2.363 361 V HA -0.312 3.808 4.120 0.001 0.000 0.254 361 V C 2.426 178.489 176.094 -0.052 0.000 1.074 361 V CA 2.711 64.983 62.300 -0.047 0.000 1.069 361 V CB -1.028 30.741 31.823 -0.089 0.000 0.659 361 V HN 0.729 nan 8.190 nan 0.000 0.455 362 S N -1.053 114.613 115.700 -0.056 0.000 2.420 362 S HA -0.171 4.300 4.470 0.001 0.000 0.237 362 S C 1.812 176.333 174.600 -0.130 0.000 1.023 362 S CA 1.957 60.112 58.200 -0.075 0.000 0.991 362 S CB -0.134 63.036 63.200 -0.050 0.000 0.792 362 S HN 0.388 nan 8.310 nan 0.000 0.488 363 V N 0.606 120.462 119.914 -0.097 0.000 2.446 363 V HA -0.011 4.109 4.120 0.001 0.000 0.244 363 V C 2.594 178.612 176.094 -0.127 0.000 1.039 363 V CA 1.468 63.693 62.300 -0.125 0.000 1.045 363 V CB -0.704 31.131 31.823 0.020 0.000 0.681 363 V HN 0.356 nan 8.190 nan 0.000 0.459 364 Q N 0.498 120.262 119.800 -0.059 0.000 2.014 364 Q HA -0.212 4.129 4.340 0.001 0.000 0.207 364 Q C 1.870 177.829 176.000 -0.069 0.000 0.993 364 Q CA 1.633 57.410 55.803 -0.043 0.000 0.850 364 Q CB -0.399 28.320 28.738 -0.031 0.000 0.916 364 Q HN 0.621 nan 8.270 nan 0.000 0.417 365 Q N -0.562 119.188 119.800 -0.083 0.000 2.271 365 Q HA 0.080 4.421 4.340 0.001 0.000 0.206 365 Q C 0.124 176.026 176.000 -0.162 0.000 0.860 365 Q CA 0.214 55.964 55.803 -0.088 0.000 0.991 365 Q CB 0.115 28.812 28.738 -0.067 0.000 1.232 365 Q HN 0.129 nan 8.270 nan 0.000 0.410 366 S N -1.631 113.929 115.700 -0.233 0.000 2.364 366 S HA 0.044 4.514 4.470 0.001 0.000 0.274 366 S C 0.595 175.058 174.600 -0.229 0.000 1.016 366 S CA -0.295 57.633 58.200 -0.454 0.000 1.332 366 S CB 0.229 62.755 63.200 -1.124 0.000 1.056 366 S HN 0.248 nan 8.310 nan 0.000 0.525 367 L N 2.256 123.447 121.223 -0.053 0.000 2.202 367 L HA 0.468 4.809 4.340 0.001 0.000 0.205 367 L C 2.274 179.266 176.870 0.203 0.000 1.083 367 L CA 1.693 56.661 54.840 0.213 0.000 0.790 367 L CB -0.762 41.398 42.059 0.168 0.000 0.942 367 L HN 0.335 nan 8.230 nan 0.000 0.452 368 A N -1.059 121.814 122.820 0.089 0.000 1.970 368 A HA 0.098 4.418 4.320 0.001 0.000 0.216 368 A C 2.333 179.956 177.584 0.065 0.000 1.170 368 A CA 1.209 53.285 52.037 0.065 0.000 0.645 368 A CB -0.629 18.381 19.000 0.016 0.000 0.816 368 A HN 0.375 nan 8.150 nan 0.000 0.447 369 A N -1.493 121.365 122.820 0.063 0.000 1.970 369 A HA 0.008 4.328 4.320 0.001 0.000 0.216 369 A C 2.031 179.690 177.584 0.125 0.000 1.170 369 A CA 1.360 53.433 52.037 0.059 0.000 0.645 369 A CB -0.708 18.307 19.000 0.024 0.000 0.816 369 A HN 0.674 nan 8.150 nan 0.000 0.447 370 Y N 1.542 121.900 120.300 0.098 0.000 2.181 370 Y HA -0.258 4.293 4.550 0.001 0.000 0.288 370 Y C 2.048 178.007 175.900 0.098 0.000 1.146 370 Y CA 2.102 60.294 58.100 0.153 0.000 1.164 370 Y CB -0.528 38.099 38.460 0.278 0.000 0.982 370 Y HN 0.363 nan 8.280 nan 0.000 0.515 371 N N 0.160 118.869 118.700 0.016 0.000 2.069 371 N HA -0.227 4.513 4.740 0.001 0.000 0.191 371 N C 1.802 177.233 175.510 -0.131 0.000 1.031 371 N CA 1.681 54.675 53.050 -0.093 0.000 0.852 371 N CB -0.486 38.015 38.487 0.024 0.000 1.018 371 N HN 0.397 nan 8.380 nan 0.000 0.423 372 Q N 0.408 120.165 119.800 -0.071 0.000 2.369 372 Q HA 0.092 4.433 4.340 0.001 0.000 0.206 372 Q C 1.559 177.501 176.000 -0.096 0.000 0.963 372 Q CA 1.213 56.974 55.803 -0.069 0.000 0.894 372 Q CB 0.138 28.855 28.738 -0.035 0.000 0.965 372 Q HN 0.276 nan 8.270 nan 0.000 0.475 373 R N -0.761 119.664 120.500 -0.124 0.000 2.112 373 R HA 0.065 4.405 4.340 0.001 0.000 0.216 373 R C 2.091 178.253 176.300 -0.231 0.000 1.080 373 R CA 0.957 56.978 56.100 -0.133 0.000 0.996 373 R CB -0.064 30.195 30.300 -0.067 0.000 0.902 373 R HN 0.093 nan 8.270 nan 0.000 0.449 374 K N 0.946 121.118 120.400 -0.380 0.000 2.025 374 K HA -0.069 4.252 4.320 0.001 0.000 0.207 374 K C 1.983 178.370 176.600 -0.354 0.000 1.049 374 K CA 1.447 57.445 56.287 -0.482 0.000 0.933 374 K CB -0.087 32.032 32.500 -0.634 0.000 0.714 374 K HN 0.125 nan 8.250 nan 0.000 0.438 375 A N 1.791 124.466 122.820 -0.242 0.000 1.883 375 A HA -0.217 4.103 4.320 0.001 0.000 0.217 375 A C 1.789 179.287 177.584 -0.143 0.000 1.186 375 A CA 2.124 54.064 52.037 -0.160 0.000 0.624 375 A CB -0.784 18.152 19.000 -0.106 0.000 0.822 375 A HN 0.430 nan 8.150 nan 0.000 0.444 376 D N -0.428 119.892 120.400 -0.133 0.000 2.116 376 D HA -0.175 4.466 4.640 0.001 0.000 0.193 376 D C 1.901 178.129 176.300 -0.120 0.000 0.998 376 D CA 1.477 55.414 54.000 -0.106 0.000 0.836 376 D CB -0.385 40.362 40.800 -0.087 0.000 0.951 376 D HN 0.435 nan 8.370 nan 0.000 0.449 377 L N -0.081 121.040 121.223 -0.169 0.000 2.017 377 L HA -0.143 4.197 4.340 0.001 0.000 0.208 377 L C 2.347 179.109 176.870 -0.180 0.000 1.073 377 L CA 1.182 55.913 54.840 -0.181 0.000 0.745 377 L CB -0.230 41.675 42.059 -0.257 0.000 0.894 377 L HN -0.038 nan 8.230 nan 0.000 0.432 378 V N 0.385 120.162 119.914 -0.230 0.000 2.255 378 V HA -0.245 3.875 4.120 0.001 0.000 0.243 378 V C 2.290 178.333 176.094 -0.085 0.000 1.038 378 V CA 2.196 64.398 62.300 -0.163 0.000 1.008 378 V CB -0.561 31.157 31.823 -0.174 0.000 0.645 378 V HN 0.601 nan 8.190 nan 0.000 0.449 379 N N 0.454 119.105 118.700 -0.081 0.000 2.018 379 N HA -0.263 4.478 4.740 0.001 0.000 0.196 379 N C 1.943 177.425 175.510 -0.047 0.000 1.043 379 N CA 2.214 55.231 53.050 -0.054 0.000 0.856 379 N CB -0.738 37.717 38.487 -0.053 0.000 1.042 379 N HN 0.477 nan 8.380 nan 0.000 0.423 380 R N 0.783 121.250 120.500 -0.055 0.000 2.162 380 R HA -0.176 4.164 4.340 0.001 0.000 0.245 380 R C 2.309 178.588 176.300 -0.035 0.000 1.129 380 R CA 2.366 58.439 56.100 -0.045 0.000 0.940 380 R CB -0.255 30.013 30.300 -0.053 0.000 0.875 380 R HN 0.189 nan 8.270 nan 0.000 0.437 381 S N 0.118 115.796 115.700 -0.037 0.000 2.356 381 S HA -0.102 4.369 4.470 0.001 0.000 0.223 381 S C 1.902 176.495 174.600 -0.012 0.000 1.032 381 S CA 1.218 59.406 58.200 -0.021 0.000 1.005 381 S CB -0.211 62.979 63.200 -0.016 0.000 0.867 381 S HN 0.236 nan 8.310 nan 0.000 0.449 382 I N 2.359 122.920 120.570 -0.015 0.000 2.127 382 I HA -0.188 3.982 4.170 0.001 0.000 0.241 382 I C 2.805 178.915 176.117 -0.013 0.000 1.075 382 I CA 1.498 62.792 61.300 -0.010 0.000 1.334 382 I CB -1.942 36.051 38.000 -0.012 0.000 1.040 382 I HN 0.243 nan 8.210 nan 0.000 0.405 383 A N 0.239 123.047 122.820 -0.019 0.000 1.883 383 A HA -0.268 4.052 4.320 0.001 0.000 0.217 383 A C 2.305 179.880 177.584 -0.016 0.000 1.186 383 A CA 1.806 53.831 52.037 -0.020 0.000 0.624 383 A CB -0.826 18.160 19.000 -0.024 0.000 0.822 383 A HN 0.534 nan 8.150 nan 0.000 0.444 384 Q N -1.250 118.541 119.800 -0.015 0.000 2.077 384 Q HA -0.210 4.130 4.340 0.001 0.000 0.206 384 Q C 2.250 178.246 176.000 -0.007 0.000 0.989 384 Q CA 2.013 57.810 55.803 -0.011 0.000 0.853 384 Q CB -0.258 28.474 28.738 -0.010 0.000 0.907 384 Q HN 0.747 nan 8.270 nan 0.000 0.418 385 M N -0.434 119.163 119.600 -0.005 0.000 2.099 385 M HA -0.170 4.311 4.480 0.001 0.000 0.262 385 M C 2.159 178.458 176.300 -0.002 0.000 1.067 385 M CA 1.471 56.771 55.300 -0.001 0.000 1.124 385 M CB -0.117 32.484 32.600 0.002 0.000 1.353 385 M HN 0.097 nan 8.290 nan 0.000 0.410 386 R N 0.210 120.707 120.500 -0.006 0.000 2.070 386 R HA -0.170 4.171 4.340 0.001 0.000 0.232 386 R C 2.053 178.347 176.300 -0.009 0.000 1.138 386 R CA 1.830 57.925 56.100 -0.008 0.000 0.936 386 R CB -0.634 29.658 30.300 -0.013 0.000 0.839 386 R HN 0.415 nan 8.270 nan 0.000 0.429 387 E N 0.404 120.597 120.200 -0.011 0.000 2.147 387 E HA -0.243 4.108 4.350 0.001 0.000 0.199 387 E C 1.945 178.540 176.600 -0.007 0.000 1.005 387 E CA 1.593 57.986 56.400 -0.011 0.000 0.810 387 E CB -0.134 29.559 29.700 -0.012 0.000 0.736 387 E HN 0.407 nan 8.360 nan 0.000 0.460 388 A N 0.217 123.034 122.820 -0.005 0.000 1.873 388 A HA -0.178 4.142 4.320 0.001 0.000 0.215 388 A C 2.382 179.965 177.584 -0.001 0.000 1.186 388 A CA 1.888 53.924 52.037 -0.003 0.000 0.616 388 A CB -0.854 18.145 19.000 -0.001 0.000 0.823 388 A HN 0.209 nan 8.150 nan 0.000 0.442 389 T N -0.195 114.360 114.554 0.001 0.000 2.746 389 T HA -0.126 4.224 4.350 0.001 0.000 0.267 389 T C 2.026 176.728 174.700 0.004 0.000 1.039 389 T CA 1.937 64.039 62.100 0.005 0.000 1.142 389 T CB -0.597 68.276 68.868 0.008 0.000 0.866 389 T HN 0.544 nan 8.240 nan 0.000 0.444 390 T N 2.244 116.797 114.554 -0.002 0.000 2.665 390 T HA -0.087 4.264 4.350 0.001 0.000 0.268 390 T C 1.899 176.597 174.700 -0.003 0.000 1.035 390 T CA 1.201 63.297 62.100 -0.006 0.000 1.151 390 T CB -0.495 68.366 68.868 -0.012 0.000 0.862 390 T HN 0.246 nan 8.240 nan 0.000 0.438 391 L N 0.323 121.544 121.223 -0.004 0.000 2.093 391 L HA 0.037 4.378 4.340 0.001 0.000 0.208 391 L C 2.609 179.477 176.870 -0.004 0.000 1.085 391 L CA 1.354 56.192 54.840 -0.003 0.000 0.755 391 L CB -0.475 41.581 42.059 -0.004 0.000 0.904 391 L HN 0.249 nan 8.230 nan 0.000 0.435 392 A N 0.058 122.876 122.820 -0.002 0.000 1.873 392 A HA -0.206 4.115 4.320 0.001 0.000 0.215 392 A C 1.997 179.579 177.584 -0.003 0.000 1.186 392 A CA 1.772 53.807 52.037 -0.004 0.000 0.616 392 A CB -0.740 18.259 19.000 -0.001 0.000 0.823 392 A HN 0.557 nan 8.150 nan 0.000 0.442 393 N N 0.342 119.046 118.700 0.006 0.000 2.104 393 N HA -0.136 4.604 4.740 0.001 0.000 0.190 393 N C 1.823 177.337 175.510 0.007 0.000 1.024 393 N CA 1.556 54.615 53.050 0.016 0.000 0.853 393 N CB -0.863 37.644 38.487 0.034 0.000 1.008 393 N HN 0.491 nan 8.380 nan 0.000 0.424 394 G N 0.911 109.712 108.800 0.001 0.000 2.421 394 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 394 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 394 G C 1.764 176.658 174.900 -0.010 0.000 1.171 394 G CA 0.836 45.935 45.100 -0.002 0.000 0.775 394 G HN 0.199 nan 8.290 nan 0.000 0.543 395 V N 1.126 121.031 119.914 -0.016 0.000 2.295 395 V HA -0.155 3.965 4.120 0.001 0.000 0.246 395 V C 2.950 179.013 176.094 -0.051 0.000 1.049 395 V CA 1.583 63.865 62.300 -0.029 0.000 1.024 395 V CB -0.509 31.298 31.823 -0.026 0.000 0.648 395 V HN 0.352 nan 8.190 nan 0.000 0.447 396 L N 0.027 121.224 121.223 -0.043 0.000 2.042 396 L HA -0.215 4.126 4.340 0.001 0.000 0.210 396 L C 2.714 179.551 176.870 -0.055 0.000 1.076 396 L CA 1.729 56.535 54.840 -0.057 0.000 0.749 396 L CB -0.858 41.180 42.059 -0.036 0.000 0.893 396 L HN 0.394 nan 8.230 nan 0.000 0.432 397 A N 0.155 122.959 122.820 -0.027 0.000 1.898 397 A HA -0.177 4.144 4.320 0.001 0.000 0.216 397 A C 2.400 179.972 177.584 -0.021 0.000 1.181 397 A CA 1.691 53.720 52.037 -0.013 0.000 0.620 397 A CB -0.638 18.367 19.000 0.009 0.000 0.819 397 A HN 0.510 nan 8.150 nan 0.000 0.442 398 S N -0.825 114.858 115.700 -0.029 0.000 2.603 398 S HA 0.174 4.644 4.470 0.001 0.000 0.229 398 S C 0.958 175.522 174.600 -0.061 0.000 0.972 398 S CA 0.907 59.092 58.200 -0.026 0.000 0.935 398 S CB -0.364 62.826 63.200 -0.017 0.000 0.769 398 S HN 0.417 nan 8.310 nan 0.000 0.536 399 L N 0.423 121.573 121.223 -0.122 0.000 3.016 399 L HA 0.394 4.734 4.340 0.001 0.000 0.267 399 L C 0.628 177.415 176.870 -0.139 0.000 1.182 399 L CA -0.159 54.518 54.840 -0.273 0.000 0.997 399 L CB -0.319 41.393 42.059 -0.579 0.000 1.354 399 L HN 0.282 nan 8.230 nan 0.000 0.569 400 N N 1.226 119.901 118.700 -0.043 0.000 2.714 400 N HA -0.211 4.530 4.740 0.001 0.000 0.250 400 N C -0.747 174.759 175.510 -0.006 0.000 1.117 400 N CA 0.782 53.837 53.050 0.009 0.000 0.719 400 N CB -1.202 37.327 38.487 0.070 0.000 1.081 400 N HN 0.344 nan 8.380 nan 0.000 0.557 401 L N 0.122 121.311 121.223 -0.055 0.000 2.325 401 L HA 0.503 4.843 4.340 0.001 0.000 0.278 401 L C -1.108 175.729 176.870 -0.055 0.000 1.023 401 L CA -1.685 53.115 54.840 -0.067 0.000 0.811 401 L CB 1.513 43.511 42.059 -0.103 0.000 1.249 401 L HN -0.060 nan 8.230 nan 0.000 0.431 402 P HA 0.052 nan 4.420 nan 0.000 0.257 402 P C 0.840 178.112 177.300 -0.047 0.000 1.281 402 P CA 0.160 63.223 63.100 -0.062 0.000 0.826 402 P CB 0.616 32.280 31.700 -0.061 0.000 1.237 403 A N 1.563 124.365 122.820 -0.030 0.000 1.883 403 A HA -0.102 4.219 4.320 0.001 0.000 0.217 403 A C 2.458 180.051 177.584 0.014 0.000 1.186 403 A CA 2.091 54.121 52.037 -0.011 0.000 0.624 403 A CB -1.491 17.508 19.000 -0.001 0.000 0.822 403 A HN 0.249 nan 8.150 nan 0.000 0.444 404 A N 0.615 123.459 122.820 0.039 0.000 1.917 404 A HA -0.179 4.141 4.320 0.001 0.000 0.219 404 A C 2.077 179.717 177.584 0.093 0.000 1.182 404 A CA 1.844 53.947 52.037 0.109 0.000 0.633 404 A CB -0.919 18.209 19.000 0.214 0.000 0.819 404 A HN 1.093 nan 8.150 nan 0.000 0.448 405 I N -4.918 115.640 120.570 -0.020 0.000 3.428 405 I HA 0.118 4.288 4.170 0.001 0.000 0.286 405 I C 1.191 177.304 176.117 -0.006 0.000 1.287 405 I CA 0.986 62.258 61.300 -0.046 0.000 1.396 405 I CB 0.013 37.907 38.000 -0.176 0.000 1.062 405 I HN 0.009 nan 8.210 nan 0.000 0.471 406 E N 1.249 121.448 120.200 -0.002 0.000 2.501 406 E HA 0.050 4.401 4.350 0.001 0.000 0.201 406 E C -0.278 176.330 176.600 0.013 0.000 1.016 406 E CA 0.173 56.572 56.400 -0.001 0.000 0.920 406 E CB 0.160 29.850 29.700 -0.017 0.000 1.023 406 E HN 0.391 nan 8.360 nan 0.000 0.474 407 D N 1.061 121.481 120.400 0.032 0.000 2.639 407 D HA 0.028 4.668 4.640 0.001 0.000 0.233 407 D C 1.526 177.849 176.300 0.039 0.000 1.161 407 D CA -0.204 53.818 54.000 0.036 0.000 1.003 407 D CB 0.216 41.046 40.800 0.051 0.000 1.034 407 D HN -0.189 nan 8.370 nan 0.000 0.514 408 V N 1.257 121.187 119.914 0.027 0.000 2.215 408 V HA -0.233 3.888 4.120 0.001 0.000 0.249 408 V C 1.634 177.742 176.094 0.023 0.000 1.054 408 V CA 1.984 64.299 62.300 0.024 0.000 1.012 408 V CB -1.555 30.277 31.823 0.015 0.000 0.639 408 V HN 0.509 nan 8.190 nan 0.000 0.448 409 S N 0.590 116.300 115.700 0.017 0.000 2.430 409 S HA 0.630 5.101 4.470 0.001 0.000 0.246 409 S C 0.865 175.476 174.600 0.017 0.000 1.155 409 S CA 0.048 58.257 58.200 0.015 0.000 1.054 409 S CB 0.766 63.972 63.200 0.010 0.000 1.154 409 S HN 1.017 nan 8.310 nan 0.000 0.482 410 G N -0.486 108.322 108.800 0.013 0.000 4.864 410 G HA2 0.410 4.370 3.960 0.001 0.000 0.280 410 G HA3 0.410 4.370 3.960 0.001 0.000 0.280 410 G C -0.398 174.508 174.900 0.010 0.000 1.239 410 G CA -0.191 44.917 45.100 0.014 0.000 0.951 410 G HN 0.550 nan 8.290 nan 0.000 0.583 411 D N 0.194 120.599 120.400 0.008 0.000 2.448 411 D HA 0.074 4.715 4.640 0.001 0.000 0.256 411 D C 1.209 177.511 176.300 0.003 0.000 1.108 411 D CA 0.915 54.918 54.000 0.005 0.000 0.848 411 D CB 1.410 42.213 40.800 0.004 0.000 1.281 411 D HN 0.390 nan 8.370 nan 0.000 0.509 412 T N -2.210 112.346 114.554 0.003 0.000 2.888 412 T HA 0.579 4.930 4.350 0.001 0.000 0.288 412 T C -0.160 174.539 174.700 -0.001 0.000 1.063 412 T CA -0.716 61.384 62.100 -0.000 0.000 1.010 412 T CB 1.783 70.651 68.868 -0.001 0.000 1.214 412 T HN -0.246 nan 8.240 nan 0.000 0.533 413 V N 3.054 122.964 119.914 -0.006 0.000 2.405 413 V HA 0.302 4.423 4.120 0.001 0.000 0.264 413 V C -2.082 174.004 176.094 -0.013 0.000 1.048 413 V CA -1.410 60.884 62.300 -0.010 0.000 0.966 413 V CB 0.011 31.825 31.823 -0.015 0.000 1.015 413 V HN 0.777 nan 8.190 nan 0.000 0.477 414 P HA -0.061 nan 4.420 nan 0.000 0.264 414 P C 0.697 177.980 177.300 -0.028 0.000 1.173 414 P CA 0.244 63.334 63.100 -0.015 0.000 0.761 414 P CB 0.558 32.250 31.700 -0.013 0.000 0.794 415 Q N 3.232 123.015 119.800 -0.029 0.000 2.096 415 Q HA -0.207 4.134 4.340 0.001 0.000 0.204 415 Q C 1.798 177.764 176.000 -0.057 0.000 0.982 415 Q CA 2.611 58.392 55.803 -0.037 0.000 0.850 415 Q CB -0.928 27.791 28.738 -0.032 0.000 0.901 415 Q HN 0.556 nan 8.270 nan 0.000 0.422 416 S N -0.694 114.967 115.700 -0.065 0.000 2.368 416 S HA -0.149 4.321 4.470 0.001 0.000 0.225 416 S C 1.972 176.496 174.600 -0.127 0.000 1.030 416 S CA 1.275 59.417 58.200 -0.096 0.000 0.999 416 S CB -0.552 62.595 63.200 -0.089 0.000 0.844 416 S HN 0.366 nan 8.310 nan 0.000 0.459 417 I N 1.219 121.733 120.570 -0.093 0.000 2.252 417 I HA -0.069 4.101 4.170 0.001 0.000 0.245 417 I C 2.341 178.404 176.117 -0.090 0.000 1.102 417 I CA 0.669 61.914 61.300 -0.093 0.000 1.385 417 I CB -0.434 37.536 38.000 -0.050 0.000 1.064 417 I HN 0.213 nan 8.210 nan 0.000 0.414 418 L N -0.104 121.077 121.223 -0.069 0.000 2.079 418 L HA -0.224 4.117 4.340 0.001 0.000 0.210 418 L C 2.476 179.302 176.870 -0.074 0.000 1.081 418 L CA 2.037 56.842 54.840 -0.059 0.000 0.752 418 L CB -0.863 41.170 42.059 -0.043 0.000 0.896 418 L HN 0.228 nan 8.230 nan 0.000 0.433 419 T N -0.875 113.621 114.554 -0.096 0.000 2.737 419 T HA -0.186 4.164 4.350 0.001 0.000 0.265 419 T C 1.910 176.519 174.700 -0.153 0.000 1.038 419 T CA 1.592 63.627 62.100 -0.107 0.000 1.144 419 T CB -0.079 68.724 68.868 -0.109 0.000 0.866 419 T HN 0.276 nan 8.240 nan 0.000 0.434 420 K N 1.065 121.302 120.400 -0.270 0.000 2.063 420 K HA -0.083 4.238 4.320 0.001 0.000 0.208 420 K C 2.717 179.249 176.600 -0.114 0.000 1.048 420 K CA 1.384 57.409 56.287 -0.436 0.000 0.928 420 K CB -0.293 31.740 32.500 -0.779 0.000 0.713 420 K HN 0.217 nan 8.250 nan 0.000 0.442 421 S N 0.972 116.619 115.700 -0.089 0.000 2.353 421 S HA -0.184 4.287 4.470 0.001 0.000 0.222 421 S C 1.983 176.551 174.600 -0.053 0.000 1.035 421 S CA 1.298 59.465 58.200 -0.055 0.000 1.025 421 S CB -0.090 63.079 63.200 -0.051 0.000 0.902 421 S HN 0.228 nan 8.310 nan 0.000 0.440 422 R N 0.565 121.038 120.500 -0.044 0.000 2.096 422 R HA -0.037 4.304 4.340 0.001 0.000 0.235 422 R C 2.839 179.133 176.300 -0.011 0.000 1.127 422 R CA 1.413 57.495 56.100 -0.029 0.000 0.968 422 R CB -0.632 29.653 30.300 -0.025 0.000 0.861 422 R HN 0.591 nan 8.270 nan 0.000 0.440 423 S N 0.341 116.046 115.700 0.008 0.000 2.399 423 S HA -0.092 4.379 4.470 0.001 0.000 0.231 423 S C 1.985 176.626 174.600 0.070 0.000 1.022 423 S CA 1.208 59.451 58.200 0.071 0.000 0.983 423 S CB -0.042 63.236 63.200 0.131 0.000 0.803 423 S HN 0.111 nan 8.310 nan 0.000 0.480 424 V N 1.722 121.622 119.914 -0.023 0.000 2.323 424 V HA -0.036 4.085 4.120 0.001 0.000 0.244 424 V C 2.352 178.301 176.094 -0.241 0.000 1.041 424 V CA 1.719 63.830 62.300 -0.316 0.000 1.025 424 V CB -0.644 30.827 31.823 -0.587 0.000 0.656 424 V HN 0.500 nan 8.190 nan 0.000 0.451 425 I N 0.416 120.907 120.570 -0.132 0.000 2.264 425 I HA -0.291 3.880 4.170 0.001 0.000 0.248 425 I C 2.566 178.675 176.117 -0.014 0.000 1.111 425 I CA 2.041 63.301 61.300 -0.067 0.000 1.382 425 I CB -0.317 37.657 38.000 -0.044 0.000 1.060 425 I HN 0.419 nan 8.210 nan 0.000 0.418 426 E N 1.075 121.278 120.200 0.005 0.000 2.077 426 E HA -0.257 4.094 4.350 0.001 0.000 0.193 426 E C 2.001 178.636 176.600 0.059 0.000 0.989 426 E CA 1.162 57.581 56.400 0.031 0.000 0.800 426 E CB -0.010 29.712 29.700 0.037 0.000 0.746 426 E HN 0.501 nan 8.360 nan 0.000 0.452 427 Q N -1.034 118.821 119.800 0.092 0.000 2.515 427 Q HA 0.067 4.407 4.340 0.001 0.000 0.214 427 Q C 0.714 176.818 176.000 0.175 0.000 0.971 427 Q CA 0.483 56.381 55.803 0.158 0.000 0.952 427 Q CB 0.560 29.469 28.738 0.285 0.000 0.999 427 Q HN 0.532 nan 8.270 nan 0.000 0.524 428 G N -0.832 108.036 108.800 0.113 0.000 2.184 428 G HA2 -0.175 3.786 3.960 0.001 0.000 0.206 428 G HA3 -0.175 3.786 3.960 0.001 0.000 0.206 428 G C 0.549 175.509 174.900 0.100 0.000 0.995 428 G CA -0.335 44.827 45.100 0.103 0.000 0.651 428 G HN 0.727 nan 8.290 nan 0.000 0.511 429 G N -0.264 108.570 108.800 0.057 0.000 2.575 429 G HA2 -0.090 3.870 3.960 0.001 0.000 0.267 429 G HA3 -0.090 3.870 3.960 0.001 0.000 0.267 429 G C 1.019 176.026 174.900 0.179 0.000 1.264 429 G CA 0.627 45.716 45.100 -0.018 0.000 0.935 429 G HN 1.381 nan 8.290 nan 0.000 0.568 430 I N 0.490 121.150 120.570 0.149 0.000 2.614 430 I HA -0.058 4.112 4.170 0.001 0.000 0.258 430 I C 2.693 178.932 176.117 0.202 0.000 1.189 430 I CA 2.464 63.908 61.300 0.240 0.000 1.462 430 I CB -0.248 37.849 38.000 0.163 0.000 1.092 430 I HN 0.687 nan 8.210 nan 0.000 0.442 431 Q N 0.545 120.430 119.800 0.141 0.000 2.096 431 Q HA -0.239 4.101 4.340 0.001 0.000 0.204 431 Q C 2.176 178.235 176.000 0.100 0.000 0.982 431 Q CA 3.085 58.951 55.803 0.104 0.000 0.850 431 Q CB -1.056 27.727 28.738 0.075 0.000 0.901 431 Q HN 0.642 nan 8.270 nan 0.000 0.422 432 T N -2.359 112.273 114.554 0.129 0.000 2.708 432 T HA -0.102 4.248 4.350 0.001 0.000 0.266 432 T C 1.907 176.630 174.700 0.038 0.000 1.037 432 T CA 1.479 63.632 62.100 0.088 0.000 1.146 432 T CB -0.910 68.026 68.868 0.113 0.000 0.865 432 T HN 0.084 nan 8.240 nan 0.000 0.435 433 V N 2.456 122.413 119.914 0.071 0.000 2.295 433 V HA -0.159 3.962 4.120 0.001 0.000 0.246 433 V C 2.713 178.777 176.094 -0.051 0.000 1.049 433 V CA 2.084 64.380 62.300 -0.006 0.000 1.024 433 V CB -0.732 31.143 31.823 0.086 0.000 0.648 433 V HN 0.447 nan 8.190 nan 0.000 0.447 434 D N -0.631 119.802 120.400 0.055 0.000 2.144 434 D HA -0.200 4.441 4.640 0.001 0.000 0.199 434 D C 2.216 178.490 176.300 -0.044 0.000 0.984 434 D CA 1.309 55.324 54.000 0.024 0.000 0.834 434 D CB -0.132 40.744 40.800 0.127 0.000 0.955 434 D HN 0.479 nan 8.370 nan 0.000 0.465 435 Q N -0.118 119.672 119.800 -0.016 0.000 2.083 435 Q HA -0.053 4.288 4.340 0.001 0.000 0.198 435 Q C 2.431 178.398 176.000 -0.055 0.000 0.969 435 Q CA 0.547 56.335 55.803 -0.025 0.000 0.838 435 Q CB 0.049 28.786 28.738 -0.002 0.000 0.900 435 Q HN 0.283 nan 8.270 nan 0.000 0.436 436 L N 0.287 121.467 121.223 -0.072 0.000 2.141 436 L HA -0.177 4.164 4.340 0.001 0.000 0.209 436 L C 2.268 179.061 176.870 -0.128 0.000 1.094 436 L CA 0.377 55.166 54.840 -0.085 0.000 0.763 436 L CB -0.258 41.751 42.059 -0.084 0.000 0.908 436 L HN 0.285 nan 8.230 nan 0.000 0.437 437 I N 0.176 120.612 120.570 -0.223 0.000 2.252 437 I HA -0.281 3.890 4.170 0.001 0.000 0.245 437 I C 2.531 178.540 176.117 -0.179 0.000 1.102 437 I CA 1.511 62.627 61.300 -0.307 0.000 1.385 437 I CB -0.710 36.867 38.000 -0.705 0.000 1.064 437 I HN 0.323 nan 8.210 nan 0.000 0.414 438 K N 0.887 121.208 120.400 -0.131 0.000 2.148 438 K HA -0.184 4.136 4.320 0.001 0.000 0.204 438 K C 1.796 178.356 176.600 -0.067 0.000 1.050 438 K CA 1.374 57.616 56.287 -0.076 0.000 0.942 438 K CB 0.129 32.602 32.500 -0.046 0.000 0.724 438 K HN 0.496 nan 8.250 nan 0.000 0.446 439 E N 0.015 120.174 120.200 -0.068 0.000 2.474 439 E HA -0.085 4.265 4.350 0.001 0.000 0.194 439 E C 1.822 178.370 176.600 -0.086 0.000 1.041 439 E CA 0.014 56.375 56.400 -0.065 0.000 0.874 439 E CB 0.045 29.717 29.700 -0.047 0.000 0.914 439 E HN 0.068 nan 8.360 nan 0.000 0.498 440 L N 1.835 123.009 121.223 -0.082 0.000 2.046 440 L HA -0.020 4.321 4.340 0.001 0.000 0.208 440 L C -0.784 175.974 176.870 -0.186 0.000 1.077 440 L CA 1.624 56.409 54.840 -0.092 0.000 0.747 440 L CB -0.672 41.372 42.059 -0.024 0.000 0.896 440 L HN 0.113 nan 8.230 nan 0.000 0.432 441 P HA -0.128 nan 4.420 nan 0.000 0.222 441 P C 1.112 178.317 177.300 -0.158 0.000 1.147 441 P CA 1.221 64.242 63.100 -0.130 0.000 0.790 441 P CB 0.112 31.768 31.700 -0.074 0.000 0.780 442 E N -0.774 119.336 120.200 -0.150 0.000 2.102 442 E HA 0.012 4.362 4.350 0.001 0.000 0.190 442 E C 1.831 178.328 176.600 -0.171 0.000 0.971 442 E CA 0.543 56.866 56.400 -0.129 0.000 0.821 442 E CB -0.454 29.193 29.700 -0.088 0.000 0.777 442 E HN 0.204 nan 8.360 nan 0.000 0.460 443 L N 0.780 121.863 121.223 -0.234 0.000 2.201 443 L HA -0.124 4.216 4.340 0.001 0.000 0.212 443 L C 2.405 178.973 176.870 -0.503 0.000 1.105 443 L CA 0.248 54.917 54.840 -0.285 0.000 0.775 443 L CB -0.331 41.600 42.059 -0.213 0.000 0.913 443 L HN 0.168 nan 8.230 nan 0.000 0.440 444 L N 0.110 120.902 121.223 -0.718 0.000 2.005 444 L HA -0.215 4.125 4.340 0.001 0.000 0.207 444 L C 2.614 179.356 176.870 -0.213 0.000 1.072 444 L CA 1.792 56.286 54.840 -0.577 0.000 0.744 444 L CB -0.607 41.203 42.059 -0.415 0.000 0.895 444 L HN 0.184 nan 8.230 nan 0.000 0.433 445 Q N 0.001 119.700 119.800 -0.169 0.000 2.124 445 Q HA -0.242 4.099 4.340 0.001 0.000 0.202 445 Q C 2.436 178.390 176.000 -0.076 0.000 0.977 445 Q CA 1.924 57.671 55.803 -0.093 0.000 0.850 445 Q CB -0.443 28.247 28.738 -0.079 0.000 0.901 445 Q HN 0.527 nan 8.270 nan 0.000 0.429 446 R N -0.139 120.305 120.500 -0.093 0.000 2.082 446 R HA -0.174 4.167 4.340 0.001 0.000 0.234 446 R C 1.675 177.940 176.300 -0.058 0.000 1.136 446 R CA 2.081 58.139 56.100 -0.070 0.000 0.935 446 R CB -0.490 29.766 30.300 -0.074 0.000 0.842 446 R HN 0.426 nan 8.270 nan 0.000 0.430 447 N N -0.172 118.494 118.700 -0.056 0.000 2.223 447 N HA -0.125 4.615 4.740 0.001 0.000 0.185 447 N C 1.944 177.431 175.510 -0.039 0.000 1.016 447 N CA 1.245 54.271 53.050 -0.040 0.000 0.863 447 N CB -0.058 38.443 38.487 0.023 0.000 0.983 447 N HN 0.242 nan 8.380 nan 0.000 0.429 448 R N 0.920 121.406 120.500 -0.023 0.000 2.075 448 R HA -0.077 4.264 4.340 0.001 0.000 0.232 448 R C 1.791 178.079 176.300 -0.019 0.000 1.126 448 R CA 1.106 57.198 56.100 -0.012 0.000 0.963 448 R CB -0.217 30.080 30.300 -0.005 0.000 0.858 448 R HN 0.407 nan 8.270 nan 0.000 0.435 449 E N 0.468 120.651 120.200 -0.027 0.000 2.085 449 E HA -0.190 4.160 4.350 0.001 0.000 0.194 449 E C 1.988 178.573 176.600 -0.025 0.000 0.994 449 E CA 1.277 57.663 56.400 -0.024 0.000 0.801 449 E CB -0.078 29.605 29.700 -0.029 0.000 0.743 449 E HN 0.321 nan 8.360 nan 0.000 0.453 450 I N 0.553 121.100 120.570 -0.037 0.000 2.193 450 I HA -0.235 3.935 4.170 0.001 0.000 0.240 450 I C 2.514 178.619 176.117 -0.019 0.000 1.084 450 I CA 0.591 61.868 61.300 -0.038 0.000 1.365 450 I CB -0.204 37.761 38.000 -0.058 0.000 1.064 450 I HN 0.137 nan 8.210 nan 0.000 0.410 451 L N 0.856 122.049 121.223 -0.050 0.000 1.990 451 L HA -0.301 4.039 4.340 0.001 0.000 0.213 451 L C 2.135 179.032 176.870 0.046 0.000 1.072 451 L CA 1.965 56.790 54.840 -0.024 0.000 0.755 451 L CB -0.424 41.588 42.059 -0.078 0.000 0.889 451 L HN 0.243 nan 8.230 nan 0.000 0.432 452 D N -0.312 120.099 120.400 0.020 0.000 2.097 452 D HA -0.199 4.442 4.640 0.001 0.000 0.195 452 D C 2.125 178.437 176.300 0.020 0.000 0.989 452 D CA 1.436 55.451 54.000 0.025 0.000 0.827 452 D CB -0.132 40.676 40.800 0.013 0.000 0.966 452 D HN 0.484 nan 8.370 nan 0.000 0.456 453 E N 0.415 120.619 120.200 0.006 0.000 2.085 453 E HA -0.136 4.215 4.350 0.001 0.000 0.194 453 E C 2.169 178.762 176.600 -0.012 0.000 0.994 453 E CA 1.175 57.571 56.400 -0.007 0.000 0.801 453 E CB 0.033 29.723 29.700 -0.017 0.000 0.743 453 E HN 0.086 nan 8.360 nan 0.000 0.453 454 S N 0.805 116.508 115.700 0.005 0.000 2.356 454 S HA -0.117 4.353 4.470 0.001 0.000 0.223 454 S C 2.017 176.601 174.600 -0.026 0.000 1.032 454 S CA 0.862 59.047 58.200 -0.024 0.000 1.005 454 S CB -0.163 63.071 63.200 0.056 0.000 0.867 454 S HN 0.186 nan 8.310 nan 0.000 0.449 455 L N 1.021 122.276 121.223 0.053 0.000 2.156 455 L HA 0.008 4.349 4.340 0.001 0.000 0.208 455 L C 2.718 179.589 176.870 0.001 0.000 1.095 455 L CA 0.849 55.716 54.840 0.045 0.000 0.770 455 L CB -0.453 41.663 42.059 0.096 0.000 0.914 455 L HN 0.243 nan 8.230 nan 0.000 0.439 456 R N 0.851 121.352 120.500 0.002 0.000 2.103 456 R HA -0.212 4.129 4.340 0.001 0.000 0.242 456 R C 2.343 178.631 176.300 -0.021 0.000 1.142 456 R CA 1.589 57.687 56.100 -0.003 0.000 0.960 456 R CB -0.369 29.930 30.300 -0.001 0.000 0.858 456 R HN 0.315 nan 8.270 nan 0.000 0.439 457 L N 0.791 121.986 121.223 -0.047 0.000 1.990 457 L HA -0.265 4.076 4.340 0.001 0.000 0.213 457 L C 2.500 179.305 176.870 -0.108 0.000 1.072 457 L CA 1.584 56.381 54.840 -0.072 0.000 0.755 457 L CB -0.333 41.662 42.059 -0.107 0.000 0.889 457 L HN 0.311 nan 8.230 nan 0.000 0.432 458 L N -0.966 120.140 121.223 -0.194 0.000 2.046 458 L HA -0.249 4.092 4.340 0.001 0.000 0.208 458 L C 2.266 179.110 176.870 -0.043 0.000 1.077 458 L CA 1.191 55.831 54.840 -0.333 0.000 0.747 458 L CB -0.860 40.939 42.059 -0.433 0.000 0.896 458 L HN 0.302 nan 8.230 nan 0.000 0.432 459 D N 0.237 120.637 120.400 0.000 0.000 2.104 459 D HA -0.195 4.446 4.640 0.001 0.000 0.194 459 D C 2.106 178.443 176.300 0.061 0.000 0.994 459 D CA 1.253 55.284 54.000 0.052 0.000 0.830 459 D CB -0.144 40.679 40.800 0.038 0.000 0.959 459 D HN 0.379 nan 8.370 nan 0.000 0.452 460 E N 0.307 120.530 120.200 0.038 0.000 2.038 460 E HA -0.188 4.163 4.350 0.001 0.000 0.195 460 E C 2.033 178.677 176.600 0.073 0.000 1.000 460 E CA 0.837 57.262 56.400 0.043 0.000 0.803 460 E CB 0.036 29.752 29.700 0.026 0.000 0.750 460 E HN 0.156 nan 8.360 nan 0.000 0.448 461 E N 1.007 121.269 120.200 0.103 0.000 2.077 461 E HA -0.239 4.111 4.350 0.001 0.000 0.193 461 E C 1.918 178.640 176.600 0.203 0.000 0.989 461 E CA 1.095 57.597 56.400 0.169 0.000 0.800 461 E CB -0.003 29.840 29.700 0.240 0.000 0.746 461 E HN 0.284 nan 8.360 nan 0.000 0.452 462 E N -0.170 120.179 120.200 0.248 0.000 2.085 462 E HA -0.185 4.165 4.350 0.001 0.000 0.194 462 E C 1.929 178.598 176.600 0.114 0.000 0.994 462 E CA 1.136 57.659 56.400 0.205 0.000 0.801 462 E CB -0.095 29.742 29.700 0.229 0.000 0.743 462 E HN 0.248 nan 8.360 nan 0.000 0.453 463 A N 0.463 123.335 122.820 0.087 0.000 1.902 463 A HA -0.202 4.119 4.320 0.001 0.000 0.217 463 A C 2.452 180.050 177.584 0.024 0.000 1.181 463 A CA 2.400 54.466 52.037 0.048 0.000 0.623 463 A CB -1.162 17.859 19.000 0.036 0.000 0.818 463 A HN 0.531 nan 8.150 nan 0.000 0.443 464 T N -2.267 112.300 114.554 0.021 0.000 2.857 464 T HA -0.126 4.224 4.350 0.001 0.000 0.266 464 T C 1.548 176.202 174.700 -0.076 0.000 1.048 464 T CA 1.616 63.696 62.100 -0.033 0.000 1.139 464 T CB -0.465 68.381 68.868 -0.038 0.000 0.874 464 T HN 0.470 nan 8.240 nan 0.000 0.455 465 D N 2.023 122.433 120.400 0.017 0.000 2.092 465 D HA -0.164 4.476 4.640 0.001 0.000 0.193 465 D C 2.075 178.405 176.300 0.050 0.000 0.994 465 D CA 1.353 55.404 54.000 0.084 0.000 0.828 465 D CB -0.387 40.547 40.800 0.223 0.000 0.963 465 D HN 0.258 nan 8.370 nan 0.000 0.450 466 N N 0.468 119.199 118.700 0.053 0.000 2.149 466 N HA -0.134 4.606 4.740 0.001 0.000 0.188 466 N C 1.099 176.605 175.510 -0.006 0.000 1.019 466 N CA 1.299 54.373 53.050 0.040 0.000 0.857 466 N CB -0.353 38.157 38.487 0.038 0.000 0.997 466 N HN 0.394 nan 8.380 nan 0.000 0.426 467 D N 0.402 120.776 120.400 -0.043 0.000 2.194 467 D HA 0.030 4.670 4.640 0.001 0.000 0.204 467 D C 2.141 178.372 176.300 -0.114 0.000 0.964 467 D CA 0.252 54.211 54.000 -0.068 0.000 0.846 467 D CB -0.226 40.537 40.800 -0.061 0.000 0.962 467 D HN 0.219 nan 8.370 nan 0.000 0.490 468 L N 0.179 121.274 121.223 -0.214 0.000 2.093 468 L HA -0.047 4.294 4.340 0.001 0.000 0.208 468 L C 2.509 179.298 176.870 -0.136 0.000 1.085 468 L CA 0.819 55.460 54.840 -0.333 0.000 0.755 468 L CB -0.227 41.190 42.059 -1.070 0.000 0.904 468 L HN -0.073 nan 8.230 nan 0.000 0.435 469 R N 0.354 120.853 120.500 -0.002 0.000 2.096 469 R HA -0.157 4.184 4.340 0.001 0.000 0.235 469 R C 2.318 178.662 176.300 0.074 0.000 1.127 469 R CA 1.394 57.607 56.100 0.188 0.000 0.968 469 R CB -0.225 30.204 30.300 0.215 0.000 0.861 469 R HN 0.338 nan 8.270 nan 0.000 0.440 470 A N 0.148 122.968 122.820 0.001 0.000 1.969 470 A HA -0.130 4.190 4.320 0.001 0.000 0.218 470 A C 1.977 179.497 177.584 -0.106 0.000 1.169 470 A CA 1.488 53.502 52.037 -0.038 0.000 0.635 470 A CB -0.159 18.813 19.000 -0.046 0.000 0.810 470 A HN 0.235 nan 8.150 nan 0.000 0.445 471 K N -1.982 118.301 120.400 -0.194 0.000 2.244 471 K HA 0.246 4.566 4.320 0.001 0.000 0.200 471 K C -0.282 175.951 176.600 -0.612 0.000 1.052 471 K CA 0.611 56.621 56.287 -0.461 0.000 0.980 471 K CB 0.105 32.204 32.500 -0.669 0.000 0.838 471 K HN 0.379 nan 8.250 nan 0.000 0.481 472 F N 0.975 120.927 119.950 0.004 0.000 2.831 472 F HA 0.245 4.772 4.527 0.001 0.000 0.355 472 F C 0.509 176.378 175.800 0.114 0.000 1.341 472 F CA -0.800 57.232 58.000 0.053 0.000 1.201 472 F CB 0.730 39.763 39.000 0.055 0.000 1.058 472 F HN -0.204 nan 8.300 nan 0.000 0.514 473 K N 0.517 121.014 120.400 0.162 0.000 2.066 473 K HA -0.298 4.022 4.320 0.001 0.000 0.221 473 K C 1.655 178.348 176.600 0.155 0.000 1.056 473 K CA 2.338 58.708 56.287 0.138 0.000 0.950 473 K CB -0.330 32.210 32.500 0.067 0.000 0.726 473 K HN 0.425 nan 8.250 nan 0.000 0.456 474 E N -0.048 120.237 120.200 0.141 0.000 2.028 474 E HA -0.104 4.247 4.350 0.001 0.000 0.191 474 E C 2.067 178.750 176.600 0.138 0.000 0.988 474 E CA 0.835 57.304 56.400 0.115 0.000 0.799 474 E CB 0.042 29.799 29.700 0.096 0.000 0.755 474 E HN 0.212 nan 8.360 nan 0.000 0.447 475 R N -0.244 120.379 120.500 0.205 0.000 2.235 475 R HA -0.042 4.298 4.340 0.001 0.000 0.213 475 R C 0.700 177.146 176.300 0.244 0.000 1.059 475 R CA 0.397 56.607 56.100 0.183 0.000 0.997 475 R CB -0.113 30.280 30.300 0.156 0.000 0.884 475 R HN 0.311 nan 8.270 nan 0.000 0.462 476 W N 3.575 124.916 121.300 0.069 0.000 2.453 476 W HA 0.209 4.870 4.660 0.001 0.000 0.298 476 W C -0.918 175.621 176.519 0.033 0.000 0.983 476 W CA -0.506 56.869 57.345 0.050 0.000 1.600 476 W CB 0.661 30.178 29.460 0.094 0.000 1.430 476 W HN 0.060 nan 8.180 nan 0.000 0.422 477 Q N 3.807 123.499 119.800 -0.180 0.000 3.064 477 Q HA 0.453 4.793 4.340 0.001 0.000 0.258 477 Q C -0.838 174.998 176.000 -0.273 0.000 0.972 477 Q CA -0.651 55.057 55.803 -0.158 0.000 0.761 477 Q CB 1.050 29.756 28.738 -0.054 0.000 1.281 477 Q HN 0.240 nan 8.270 nan 0.000 0.455 478 R N 0.162 120.419 120.500 -0.405 0.000 2.758 478 R HA 0.460 4.801 4.340 0.001 0.000 0.265 478 R C -0.082 176.111 176.300 -0.178 0.000 1.016 478 R CA -0.519 55.394 56.100 -0.311 0.000 1.040 478 R CB 0.834 30.888 30.300 -0.410 0.000 1.152 478 R HN 0.497 nan 8.270 nan 0.000 0.503 479 T N -0.006 114.468 114.554 -0.134 0.000 2.905 479 T HA 0.100 4.451 4.350 0.001 0.000 0.299 479 T C -2.029 172.618 174.700 -0.088 0.000 1.024 479 T CA -1.211 60.834 62.100 -0.092 0.000 1.151 479 T CB 0.130 68.948 68.868 -0.083 0.000 0.987 479 T HN 0.231 nan 8.240 nan 0.000 0.535 480 P HA 0.123 nan 4.420 nan 0.000 0.269 480 P C 0.820 178.046 177.300 -0.123 0.000 1.211 480 P CA -0.307 62.773 63.100 -0.032 0.000 0.781 480 P CB 0.366 32.063 31.700 -0.006 0.000 0.877 481 S N 0.515 116.127 115.700 -0.146 0.000 2.355 481 S HA -0.154 4.317 4.470 0.001 0.000 0.222 481 S C 1.712 176.081 174.600 -0.384 0.000 1.031 481 S CA 0.910 58.847 58.200 -0.439 0.000 0.993 481 S CB -0.845 62.191 63.200 -0.274 0.000 0.859 481 S HN 0.548 nan 8.310 nan 0.000 0.453 482 N N 0.975 119.620 118.700 -0.091 0.000 2.122 482 N HA -0.204 4.536 4.740 0.001 0.000 0.199 482 N C 1.611 177.115 175.510 -0.010 0.000 1.007 482 N CA 1.540 54.595 53.050 0.008 0.000 0.892 482 N CB -0.222 38.281 38.487 0.026 0.000 1.050 482 N HN 0.457 nan 8.380 nan 0.000 0.468 483 E N 0.542 120.707 120.200 -0.059 0.000 2.076 483 E HA -0.027 4.323 4.350 0.001 0.000 0.190 483 E C 2.297 178.869 176.600 -0.047 0.000 0.979 483 E CA 0.183 56.561 56.400 -0.036 0.000 0.807 483 E CB -0.295 29.384 29.700 -0.036 0.000 0.761 483 E HN 0.282 nan 8.360 nan 0.000 0.454 484 L N 0.362 121.498 121.223 -0.145 0.000 2.127 484 L HA -0.206 4.135 4.340 0.001 0.000 0.211 484 L C 2.073 178.977 176.870 0.056 0.000 1.089 484 L CA 1.204 55.971 54.840 -0.121 0.000 0.757 484 L CB -0.204 41.697 42.059 -0.264 0.000 0.899 484 L HN 0.142 nan 8.230 nan 0.000 0.434 485 Y N -0.657 119.667 120.300 0.041 0.000 2.503 485 Y HA -0.069 4.481 4.550 0.001 0.000 0.278 485 Y C 2.258 178.196 175.900 0.063 0.000 1.111 485 Y CA 0.399 58.529 58.100 0.050 0.000 1.270 485 Y CB -0.819 37.672 38.460 0.051 0.000 1.063 485 Y HN 0.243 nan 8.280 nan 0.000 0.548 486 K N 0.543 121.059 120.400 0.193 0.000 2.089 486 K HA -0.186 4.134 4.320 0.001 0.000 0.210 486 K C -1.027 175.649 176.600 0.126 0.000 1.048 486 K CA 1.925 58.294 56.287 0.136 0.000 0.926 486 K CB -1.780 30.773 32.500 0.087 0.000 0.714 486 K HN 0.143 nan 8.250 nan 0.000 0.448 487 P HA -0.140 nan 4.420 nan 0.000 0.215 487 P C 1.298 178.692 177.300 0.156 0.000 1.153 487 P CA 1.235 64.404 63.100 0.115 0.000 0.853 487 P CB 0.012 31.775 31.700 0.104 0.000 0.788 488 L N -1.305 120.035 121.223 0.196 0.000 2.072 488 L HA -0.079 4.261 4.340 0.001 0.000 0.205 488 L C 2.617 179.685 176.870 0.329 0.000 1.079 488 L CA 1.336 56.343 54.840 0.279 0.000 0.752 488 L CB -0.588 41.560 42.059 0.150 0.000 0.906 488 L HN -0.196 nan 8.230 nan 0.000 0.436 489 R N -0.170 120.467 120.500 0.228 0.000 2.159 489 R HA -0.157 4.184 4.340 0.001 0.000 0.237 489 R C 2.304 178.689 176.300 0.142 0.000 1.131 489 R CA 1.214 57.429 56.100 0.192 0.000 0.982 489 R CB -0.317 30.075 30.300 0.154 0.000 0.868 489 R HN 0.395 nan 8.270 nan 0.000 0.453 490 A N 0.634 123.524 122.820 0.116 0.000 1.898 490 A HA -0.123 4.197 4.320 0.001 0.000 0.214 490 A C 1.791 179.378 177.584 0.004 0.000 1.183 490 A CA 0.992 53.061 52.037 0.054 0.000 0.622 490 A CB -0.179 18.846 19.000 0.042 0.000 0.824 490 A HN 0.276 nan 8.150 nan 0.000 0.444 491 E N -0.294 119.922 120.200 0.027 0.000 2.118 491 E HA -0.130 4.221 4.350 0.001 0.000 0.195 491 E C 2.107 178.603 176.600 -0.173 0.000 0.992 491 E CA 0.744 57.062 56.400 -0.137 0.000 0.804 491 E CB -0.383 29.321 29.700 0.007 0.000 0.741 491 E HN 0.604 nan 8.360 nan 0.000 0.458 492 G N 1.146 109.973 108.800 0.045 0.000 2.586 492 G HA2 -0.396 3.564 3.960 0.001 0.000 0.218 492 G HA3 -0.396 3.564 3.960 0.001 0.000 0.218 492 G C 1.801 176.742 174.900 0.068 0.000 1.216 492 G CA 1.999 47.157 45.100 0.098 0.000 0.786 492 G HN 0.447 nan 8.290 nan 0.000 0.583 493 T N -1.359 113.219 114.554 0.041 0.000 2.915 493 T HA -0.077 4.273 4.350 0.001 0.000 0.269 493 T C 1.990 176.684 174.700 -0.011 0.000 1.071 493 T CA 1.626 63.741 62.100 0.026 0.000 1.132 493 T CB -0.387 68.495 68.868 0.023 0.000 0.878 493 T HN 0.402 nan 8.240 nan 0.000 0.479 494 N N 0.350 119.002 118.700 -0.080 0.000 2.013 494 N HA -0.026 4.714 4.740 0.001 0.000 0.195 494 N C 1.515 176.942 175.510 -0.138 0.000 1.051 494 N CA 1.739 54.690 53.050 -0.165 0.000 0.851 494 N CB -0.464 37.830 38.487 -0.323 0.000 1.044 494 N HN 0.445 nan 8.380 nan 0.000 0.422 495 F N 0.402 120.274 119.950 -0.130 0.000 2.147 495 F HA -0.225 4.302 4.527 0.001 0.000 0.301 495 F C 2.629 178.396 175.800 -0.054 0.000 1.084 495 F CA 0.969 58.894 58.000 -0.126 0.000 1.268 495 F CB -0.134 38.721 39.000 -0.240 0.000 1.009 495 F HN 0.044 nan 8.300 nan 0.000 0.486 496 R N 0.408 120.996 120.500 0.147 0.000 2.094 496 R HA -0.154 4.186 4.340 0.001 0.000 0.239 496 R C 2.117 178.461 176.300 0.074 0.000 1.137 496 R CA 2.276 58.432 56.100 0.094 0.000 0.943 496 R CB -0.985 29.354 30.300 0.064 0.000 0.850 496 R HN 0.169 nan 8.270 nan 0.000 0.433 497 T N -0.334 114.246 114.554 0.044 0.000 2.720 497 T HA -0.136 4.214 4.350 0.001 0.000 0.268 497 T C 1.857 176.583 174.700 0.043 0.000 1.037 497 T CA 1.455 63.571 62.100 0.027 0.000 1.144 497 T CB -0.382 68.485 68.868 -0.002 0.000 0.864 497 T HN 0.003 nan 8.240 nan 0.000 0.444 498 V N 1.475 121.431 119.914 0.069 0.000 2.287 498 V HA -0.138 3.982 4.120 0.001 0.000 0.248 498 V C 2.511 178.698 176.094 0.156 0.000 1.053 498 V CA 1.550 63.924 62.300 0.122 0.000 1.027 498 V CB -0.635 31.301 31.823 0.188 0.000 0.646 498 V HN 0.452 nan 8.190 nan 0.000 0.447 499 L N -0.295 121.032 121.223 0.174 0.000 2.131 499 L HA -0.200 4.141 4.340 0.001 0.000 0.210 499 L C 2.216 179.162 176.870 0.126 0.000 1.092 499 L CA 1.501 56.455 54.840 0.190 0.000 0.759 499 L CB -0.668 41.493 42.059 0.171 0.000 0.903 499 L HN 0.374 nan 8.230 nan 0.000 0.435 500 D N -0.195 120.252 120.400 0.078 0.000 2.117 500 D HA -0.142 4.498 4.640 0.001 0.000 0.198 500 D C 2.157 178.467 176.300 0.017 0.000 0.982 500 D CA 0.936 54.964 54.000 0.046 0.000 0.828 500 D CB 0.002 40.821 40.800 0.032 0.000 0.967 500 D HN 0.003 nan 8.370 nan 0.000 0.464 501 K N 0.590 120.987 120.400 -0.005 0.000 2.148 501 K HA 0.109 4.429 4.320 0.001 0.000 0.204 501 K C 1.819 178.351 176.600 -0.113 0.000 1.050 501 K CA 0.848 57.102 56.287 -0.055 0.000 0.942 501 K CB -0.428 32.032 32.500 -0.067 0.000 0.724 501 K HN 0.081 nan 8.250 nan 0.000 0.446 502 A N 0.238 122.989 122.820 -0.115 0.000 1.873 502 A HA -0.105 4.216 4.320 0.001 0.000 0.215 502 A C 2.305 179.880 177.584 -0.016 0.000 1.186 502 A CA 1.509 53.429 52.037 -0.194 0.000 0.616 502 A CB -0.737 18.179 19.000 -0.140 0.000 0.823 502 A HN 0.039 nan 8.150 nan 0.000 0.442 503 V N -0.080 119.875 119.914 0.068 0.000 2.287 503 V HA -0.341 3.780 4.120 0.001 0.000 0.248 503 V C 2.764 178.874 176.094 0.026 0.000 1.053 503 V CA 2.508 64.853 62.300 0.074 0.000 1.027 503 V CB -0.824 31.040 31.823 0.067 0.000 0.646 503 V HN 0.737 nan 8.190 nan 0.000 0.447 504 Q N 0.116 119.916 119.800 -0.001 0.000 2.096 504 Q HA -0.207 4.134 4.340 0.001 0.000 0.204 504 Q C 2.155 178.138 176.000 -0.028 0.000 0.982 504 Q CA 2.326 58.120 55.803 -0.015 0.000 0.850 504 Q CB -0.533 28.190 28.738 -0.025 0.000 0.901 504 Q HN 0.636 nan 8.270 nan 0.000 0.422 505 A N 0.395 123.178 122.820 -0.061 0.000 1.933 505 A HA -0.209 4.112 4.320 0.001 0.000 0.218 505 A C 1.704 179.266 177.584 -0.038 0.000 1.175 505 A CA 1.735 53.724 52.037 -0.081 0.000 0.628 505 A CB -0.687 18.210 19.000 -0.171 0.000 0.814 505 A HN 0.472 nan 8.150 nan 0.000 0.444 506 D N -0.023 120.379 120.400 0.003 0.000 2.123 506 D HA -0.110 4.531 4.640 0.001 0.000 0.196 506 D C 2.066 178.381 176.300 0.026 0.000 0.992 506 D CA 1.446 55.469 54.000 0.039 0.000 0.833 506 D CB -0.823 40.026 40.800 0.082 0.000 0.954 506 D HN 0.434 nan 8.370 nan 0.000 0.455 507 G N 1.265 110.076 108.800 0.019 0.000 2.514 507 G HA2 -0.306 3.654 3.960 0.001 0.000 0.217 507 G HA3 -0.306 3.654 3.960 0.001 0.000 0.217 507 G C 1.504 176.417 174.900 0.021 0.000 1.198 507 G CA 0.793 45.904 45.100 0.020 0.000 0.780 507 G HN 0.211 nan 8.290 nan 0.000 0.565 508 Q N 0.186 119.992 119.800 0.009 0.000 2.135 508 Q HA -0.073 4.267 4.340 0.001 0.000 0.204 508 Q C 2.898 178.917 176.000 0.031 0.000 0.981 508 Q CA 1.319 57.130 55.803 0.013 0.000 0.856 508 Q CB -0.893 27.842 28.738 -0.005 0.000 0.902 508 Q HN 0.449 nan 8.270 nan 0.000 0.425 509 V N 1.110 121.039 119.914 0.025 0.000 2.488 509 V HA -0.175 3.945 4.120 0.001 0.000 0.246 509 V C 2.335 178.480 176.094 0.084 0.000 1.046 509 V CA 1.420 63.743 62.300 0.038 0.000 1.053 509 V CB -0.418 31.407 31.823 0.003 0.000 0.679 509 V HN 0.269 nan 8.190 nan 0.000 0.458 510 K N 0.148 120.594 120.400 0.076 0.000 2.002 510 K HA -0.255 4.065 4.320 0.001 0.000 0.209 510 K C 2.261 178.956 176.600 0.158 0.000 1.048 510 K CA 2.029 58.395 56.287 0.133 0.000 0.930 510 K CB -0.189 32.365 32.500 0.090 0.000 0.714 510 K HN 0.509 nan 8.250 nan 0.000 0.438 511 E N 0.370 120.621 120.200 0.085 0.000 2.097 511 E HA -0.277 4.074 4.350 0.001 0.000 0.196 511 E C 2.078 178.704 176.600 0.043 0.000 1.000 511 E CA 1.632 58.061 56.400 0.048 0.000 0.804 511 E CB -0.153 29.563 29.700 0.026 0.000 0.740 511 E HN 0.404 nan 8.360 nan 0.000 0.454 512 C N 0.005 119.362 119.300 0.094 0.000 2.446 512 C HA -0.132 4.329 4.460 0.001 0.000 0.277 512 C C 2.581 177.697 174.990 0.211 0.000 1.275 512 C CA 1.043 60.155 59.018 0.157 0.000 1.727 512 C CB -1.316 26.532 27.740 0.180 0.000 2.010 512 C HN 0.719 nan 8.230 nan 0.000 0.486 513 Y N 2.445 122.787 120.300 0.069 0.000 2.163 513 Y HA -0.195 4.356 4.550 0.001 0.000 0.288 513 Y C 2.586 178.515 175.900 0.048 0.000 1.136 513 Y CA 2.432 60.572 58.100 0.068 0.000 1.147 513 Y CB -0.872 37.611 38.460 0.037 0.000 0.987 513 Y HN 0.613 nan 8.280 nan 0.000 0.509 514 Q N -1.277 118.387 119.800 -0.227 0.000 2.230 514 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 514 Q C 2.286 178.146 176.000 -0.234 0.000 0.963 514 Q CA 1.447 57.040 55.803 -0.349 0.000 0.866 514 Q CB -0.487 28.155 28.738 -0.159 0.000 0.931 514 Q HN 0.354 nan 8.270 nan 0.000 0.452 515 S N -0.412 115.162 115.700 -0.210 0.000 2.522 515 S HA -0.045 4.425 4.470 0.001 0.000 0.227 515 S C 0.510 174.828 174.600 -0.469 0.000 0.986 515 S CA 0.636 58.638 58.200 -0.330 0.000 0.929 515 S CB -0.042 62.920 63.200 -0.398 0.000 0.769 515 S HN 0.638 nan 8.310 nan 0.000 0.529 516 H N -1.176 117.857 119.070 -0.060 0.000 3.233 516 H HA 0.366 4.922 4.556 0.001 0.000 0.263 516 H C 1.841 177.142 175.328 -0.045 0.000 1.168 516 H CA -0.336 55.696 56.048 -0.026 0.000 1.159 516 H CB 0.307 30.081 29.762 0.019 0.000 1.593 516 H HN 0.059 nan 8.280 nan 0.000 0.580 517 R N 1.375 121.831 120.500 -0.072 0.000 2.112 517 R HA -0.185 4.156 4.340 0.001 0.000 0.242 517 R C 0.465 176.751 176.300 -0.023 0.000 1.137 517 R CA 2.603 58.630 56.100 -0.121 0.000 0.944 517 R CB -0.080 30.022 30.300 -0.330 0.000 0.857 517 R HN 0.375 nan 8.270 nan 0.000 0.435 518 D N -1.112 119.269 120.400 -0.032 0.000 2.117 518 D HA -0.083 4.557 4.640 0.001 0.000 0.198 518 D C 1.807 178.116 176.300 0.016 0.000 0.982 518 D CA 1.871 55.864 54.000 -0.012 0.000 0.828 518 D CB -0.217 40.569 40.800 -0.023 0.000 0.967 518 D HN 0.286 nan 8.370 nan 0.000 0.464 519 T N 0.551 115.126 114.554 0.036 0.000 2.788 519 T HA -0.083 4.267 4.350 0.001 0.000 0.268 519 T C 2.074 176.806 174.700 0.053 0.000 1.044 519 T CA 0.610 62.740 62.100 0.050 0.000 1.139 519 T CB -0.258 68.655 68.868 0.076 0.000 0.867 519 T HN 0.150 nan 8.240 nan 0.000 0.454 520 I N 0.912 121.525 120.570 0.072 0.000 2.226 520 I HA -0.152 4.018 4.170 0.001 0.000 0.245 520 I C 2.455 178.589 176.117 0.028 0.000 1.100 520 I CA 0.871 62.213 61.300 0.071 0.000 1.374 520 I CB -0.468 37.623 38.000 0.152 0.000 1.057 520 I HN 0.085 nan 8.210 nan 0.000 0.413 521 V N 0.729 120.663 119.914 0.032 0.000 2.392 521 V HA -0.283 3.837 4.120 0.001 0.000 0.249 521 V C 2.364 178.460 176.094 0.004 0.000 1.059 521 V CA 1.672 63.983 62.300 0.018 0.000 1.051 521 V CB -0.567 31.267 31.823 0.018 0.000 0.658 521 V HN 0.360 nan 8.190 nan 0.000 0.455 522 L N -0.091 121.136 121.223 0.007 0.000 1.976 522 L HA -0.127 4.213 4.340 0.001 0.000 0.209 522 L C 2.245 179.111 176.870 -0.006 0.000 1.071 522 L CA 1.963 56.804 54.840 0.003 0.000 0.746 522 L CB -0.840 41.225 42.059 0.009 0.000 0.890 522 L HN 0.286 nan 8.230 nan 0.000 0.432 523 L N -0.386 120.834 121.223 -0.006 0.000 2.197 523 L HA -0.280 4.060 4.340 0.001 0.000 0.215 523 L C 2.180 179.022 176.870 -0.046 0.000 1.095 523 L CA 1.997 56.825 54.840 -0.019 0.000 0.764 523 L CB -0.820 41.236 42.059 -0.007 0.000 0.897 523 L HN 0.486 nan 8.230 nan 0.000 0.436 524 C N -0.777 118.490 119.300 -0.056 0.000 2.626 524 C HA 0.097 4.558 4.460 0.001 0.000 0.266 524 C C 1.195 176.162 174.990 -0.038 0.000 1.317 524 C CA -0.716 58.260 59.018 -0.069 0.000 1.716 524 C CB -1.273 26.419 27.740 -0.080 0.000 1.819 524 C HN 0.285 nan 8.230 nan 0.000 0.578 525 K N 2.736 123.121 120.400 -0.025 0.000 2.326 525 K HA 0.188 4.508 4.320 0.001 0.000 0.275 525 K C -2.266 174.324 176.600 -0.016 0.000 1.018 525 K CA -0.953 55.325 56.287 -0.015 0.000 0.962 525 K CB 0.084 32.579 32.500 -0.009 0.000 0.953 525 K HN 0.118 nan 8.250 nan 0.000 0.475 526 P HA -0.136 nan 4.420 nan 0.000 0.266 526 P C 0.531 177.824 177.300 -0.011 0.000 1.193 526 P CA 0.367 63.460 63.100 -0.012 0.000 0.770 526 P CB 0.600 32.295 31.700 -0.007 0.000 0.836 527 E N 3.454 123.647 120.200 -0.012 0.000 2.086 527 E HA -0.205 4.145 4.350 0.001 0.000 0.200 527 E C -0.809 175.786 176.600 -0.009 0.000 1.012 527 E CA 1.810 58.203 56.400 -0.012 0.000 0.812 527 E CB -1.134 28.559 29.700 -0.013 0.000 0.743 527 E HN 0.383 nan 8.360 nan 0.000 0.453 528 P HA -0.162 nan 4.420 nan 0.000 0.216 528 P C 1.277 178.574 177.300 -0.004 0.000 1.153 528 P CA 1.395 64.492 63.100 -0.005 0.000 0.844 528 P CB -0.162 31.536 31.700 -0.004 0.000 0.787 529 E N -0.445 119.752 120.200 -0.004 0.000 2.085 529 E HA -0.194 4.157 4.350 0.001 0.000 0.194 529 E C 2.023 178.620 176.600 -0.004 0.000 0.994 529 E CA 0.781 57.179 56.400 -0.003 0.000 0.801 529 E CB -0.460 29.238 29.700 -0.003 0.000 0.743 529 E HN -0.016 nan 8.360 nan 0.000 0.453 530 L N 1.827 123.047 121.223 -0.006 0.000 2.046 530 L HA -0.202 4.139 4.340 0.001 0.000 0.208 530 L C 1.932 178.800 176.870 -0.004 0.000 1.077 530 L CA 2.010 56.846 54.840 -0.006 0.000 0.747 530 L CB -0.898 41.155 42.059 -0.011 0.000 0.896 530 L HN 0.204 nan 8.230 nan 0.000 0.432 531 N N -0.521 118.176 118.700 -0.005 0.000 2.120 531 N HA -0.208 4.532 4.740 0.001 0.000 0.188 531 N C 1.754 177.264 175.510 -0.001 0.000 1.024 531 N CA 1.230 54.278 53.050 -0.003 0.000 0.852 531 N CB -0.039 38.446 38.487 -0.003 0.000 1.003 531 N HN 0.513 nan 8.380 nan 0.000 0.424 532 A N 0.374 123.193 122.820 -0.001 0.000 2.070 532 A HA 0.039 4.360 4.320 0.001 0.000 0.220 532 A C 2.023 179.608 177.584 0.001 0.000 1.159 532 A CA 1.586 53.623 52.037 0.000 0.000 0.656 532 A CB -0.399 18.601 19.000 -0.000 0.000 0.800 532 A HN 0.489 nan 8.150 nan 0.000 0.453 533 A N -0.876 121.945 122.820 0.001 0.000 2.220 533 A HA 0.443 4.763 4.320 0.001 0.000 0.211 533 A C 0.685 178.272 177.584 0.004 0.000 1.176 533 A CA -0.136 51.902 52.037 0.003 0.000 0.834 533 A CB -0.125 18.877 19.000 0.002 0.000 0.868 533 A HN 0.408 nan 8.150 nan 0.000 0.488 534 I N 1.593 122.165 120.570 0.004 0.000 2.342 534 I HA 0.269 4.440 4.170 0.001 0.000 0.291 534 I C -2.467 173.653 176.117 0.006 0.000 1.010 534 I CA -2.205 59.099 61.300 0.006 0.000 1.308 534 I CB 1.225 39.229 38.000 0.005 0.000 1.400 534 I HN -0.021 nan 8.210 nan 0.000 0.488 535 P HA 0.072 nan 4.420 nan 0.000 0.268 535 P C -0.491 176.814 177.300 0.008 0.000 1.205 535 P CA -0.266 62.838 63.100 0.007 0.000 0.771 535 P CB 0.528 32.233 31.700 0.008 0.000 0.858 536 S N 1.213 116.916 115.700 0.006 0.000 2.632 536 S HA 0.779 5.250 4.470 0.001 0.000 0.267 536 S C -0.123 174.481 174.600 0.007 0.000 1.276 536 S CA -0.492 57.712 58.200 0.006 0.000 0.998 536 S CB 1.012 64.215 63.200 0.005 0.000 0.953 536 S HN 0.662 nan 8.310 nan 0.000 0.547 537 A N 0.996 123.820 122.820 0.007 0.000 2.602 537 A HA 0.689 5.010 4.320 0.001 0.000 0.290 537 A C -1.194 176.393 177.584 0.005 0.000 1.114 537 A CA -1.210 50.831 52.037 0.006 0.000 0.683 537 A CB 0.583 19.588 19.000 0.009 0.000 1.281 537 A HN 0.794 nan 8.150 nan 0.000 0.416 538 N N 1.777 120.478 118.700 0.002 0.000 2.514 538 N HA 0.502 5.242 4.740 0.001 0.000 0.277 538 N C -2.508 173.003 175.510 0.002 0.000 1.126 538 N CA -0.747 52.304 53.050 0.001 0.000 0.978 538 N CB 0.658 39.143 38.487 -0.003 0.000 1.106 538 N HN 0.481 nan 8.380 nan 0.000 0.461 539 P HA 0.082 nan 4.420 nan 0.000 0.271 539 P C -1.144 176.154 177.300 -0.004 0.000 1.216 539 P CA -0.375 62.729 63.100 0.007 0.000 0.771 539 P CB 0.627 32.333 31.700 0.010 0.000 0.864 540 A N 3.846 126.659 122.820 -0.011 0.000 2.805 540 A HA 0.093 4.414 4.320 0.001 0.000 0.301 540 A C 1.323 178.897 177.584 -0.017 0.000 1.557 540 A CA -0.405 51.615 52.037 -0.027 0.000 1.254 540 A CB -0.633 18.332 19.000 -0.060 0.000 1.114 540 A HN 0.455 nan 8.150 nan 0.000 0.553 541 K N 0.685 121.079 120.400 -0.010 0.000 2.362 541 K HA -0.097 4.224 4.320 0.001 0.000 0.202 541 K C 0.650 177.252 176.600 0.003 0.000 1.045 541 K CA 1.553 57.839 56.287 -0.001 0.000 0.936 541 K CB -0.110 32.389 32.500 -0.002 0.000 0.747 541 K HN 0.638 nan 8.250 nan 0.000 0.467 542 T N 1.083 115.633 114.554 -0.006 0.000 3.609 542 T HA 0.062 4.412 4.350 0.001 0.000 0.245 542 T C 0.486 175.196 174.700 0.018 0.000 0.980 542 T CA 0.298 62.398 62.100 -0.001 0.000 0.940 542 T CB -0.214 68.646 68.868 -0.014 0.000 1.105 542 T HN 0.163 nan 8.240 nan 0.000 0.627 543 M N 1.120 120.739 119.600 0.032 0.000 2.989 543 M HA 0.281 4.761 4.480 0.001 0.000 0.307 543 M C 1.270 177.601 176.300 0.051 0.000 1.224 543 M CA -0.342 54.998 55.300 0.066 0.000 0.984 543 M CB 0.100 32.754 32.600 0.090 0.000 1.264 543 M HN 0.079 nan 8.290 nan 0.000 0.525 544 Q N 0.486 120.307 119.800 0.036 0.000 1.755 544 Q HA 0.145 4.485 4.340 0.001 0.000 0.320 544 Q C 1.165 177.182 176.000 0.029 0.000 0.959 544 Q CA 2.128 57.947 55.803 0.027 0.000 0.889 544 Q CB -0.103 28.646 28.738 0.018 0.000 0.920 544 Q HN 0.541 nan 8.270 nan 0.000 0.421 545 G N -0.042 108.774 108.800 0.026 0.000 4.222 545 G HA2 0.233 4.194 3.960 0.001 0.000 0.301 545 G HA3 0.233 4.194 3.960 0.001 0.000 0.301 545 G C -0.683 174.236 174.900 0.031 0.000 1.171 545 G CA -0.032 45.082 45.100 0.024 0.000 0.937 545 G HN 0.302 nan 8.290 nan 0.000 0.557 546 S N -0.044 115.683 115.700 0.046 0.000 2.563 546 S HA -0.036 4.434 4.470 0.001 0.000 0.294 546 S C 1.428 176.061 174.600 0.054 0.000 1.279 546 S CA 0.019 58.254 58.200 0.058 0.000 1.069 546 S CB 0.819 64.076 63.200 0.096 0.000 0.828 546 S HN 0.536 nan 8.310 nan 0.000 0.497 547 E N 3.195 123.422 120.200 0.045 0.000 2.152 547 E HA -0.087 4.263 4.350 0.001 0.000 0.192 547 E C 1.671 178.297 176.600 0.042 0.000 0.983 547 E CA 1.000 57.421 56.400 0.035 0.000 0.818 547 E CB 0.046 29.761 29.700 0.026 0.000 0.758 547 E HN 0.712 nan 8.360 nan 0.000 0.467 548 V N 0.557 120.514 119.914 0.071 0.000 2.594 548 V HA -0.194 3.927 4.120 0.001 0.000 0.253 548 V C 2.339 178.470 176.094 0.062 0.000 1.069 548 V CA 0.942 63.298 62.300 0.094 0.000 1.082 548 V CB -0.233 31.689 31.823 0.166 0.000 0.680 548 V HN 0.126 nan 8.190 nan 0.000 0.469 549 V N 0.350 120.302 119.914 0.064 0.000 2.302 549 V HA -0.147 3.974 4.120 0.001 0.000 0.243 549 V C 2.352 178.420 176.094 -0.044 0.000 1.036 549 V CA 1.812 64.097 62.300 -0.024 0.000 1.020 549 V CB -0.694 31.156 31.823 0.044 0.000 0.657 549 V HN 0.520 nan 8.190 nan 0.000 0.453 550 N N 0.282 118.977 118.700 -0.009 0.000 2.205 550 N HA -0.131 4.610 4.740 0.001 0.000 0.186 550 N C 1.747 177.246 175.510 -0.019 0.000 1.015 550 N CA 1.293 54.335 53.050 -0.013 0.000 0.862 550 N CB -0.305 38.181 38.487 -0.001 0.000 0.986 550 N HN 0.334 nan 8.380 nan 0.000 0.429 551 V N 1.655 121.560 119.914 -0.014 0.000 2.270 551 V HA -0.161 3.959 4.120 0.001 0.000 0.245 551 V C 2.499 178.574 176.094 -0.032 0.000 1.043 551 V CA 1.124 63.416 62.300 -0.014 0.000 1.014 551 V CB -0.493 31.331 31.823 0.000 0.000 0.645 551 V HN 0.218 nan 8.190 nan 0.000 0.447 552 L N -0.367 120.821 121.223 -0.059 0.000 2.012 552 L HA -0.252 4.089 4.340 0.001 0.000 0.210 552 L C 2.682 179.501 176.870 -0.086 0.000 1.073 552 L CA 1.932 56.717 54.840 -0.093 0.000 0.748 552 L CB -0.590 41.353 42.059 -0.194 0.000 0.891 552 L HN 0.305 nan 8.230 nan 0.000 0.431 553 K N -0.692 119.657 120.400 -0.084 0.000 2.044 553 K HA -0.245 4.076 4.320 0.001 0.000 0.210 553 K C 2.380 178.954 176.600 -0.043 0.000 1.049 553 K CA 2.069 58.318 56.287 -0.064 0.000 0.927 553 K CB -0.137 32.332 32.500 -0.051 0.000 0.713 553 K HN 0.132 nan 8.250 nan 0.000 0.443 554 S N 0.189 115.869 115.700 -0.033 0.000 2.371 554 S HA -0.065 4.405 4.470 0.001 0.000 0.224 554 S C 1.863 176.450 174.600 -0.022 0.000 1.029 554 S CA 0.640 58.827 58.200 -0.023 0.000 0.978 554 S CB -0.084 63.106 63.200 -0.016 0.000 0.833 554 S HN 0.148 nan 8.310 nan 0.000 0.466 555 L N 1.580 122.789 121.223 -0.024 0.000 2.042 555 L HA -0.003 4.338 4.340 0.001 0.000 0.210 555 L C 2.175 179.031 176.870 -0.024 0.000 1.076 555 L CA 1.528 56.356 54.840 -0.020 0.000 0.749 555 L CB -0.894 41.154 42.059 -0.019 0.000 0.893 555 L HN 0.328 nan 8.230 nan 0.000 0.432 556 L N -1.738 119.464 121.223 -0.035 0.000 2.201 556 L HA -0.163 4.177 4.340 0.001 0.000 0.212 556 L C 2.649 179.501 176.870 -0.029 0.000 1.105 556 L CA 1.172 55.989 54.840 -0.037 0.000 0.775 556 L CB -0.488 41.539 42.059 -0.053 0.000 0.913 556 L HN 0.302 nan 8.230 nan 0.000 0.440 557 S N -0.076 115.607 115.700 -0.027 0.000 2.371 557 S HA -0.130 4.340 4.470 0.001 0.000 0.224 557 S C 1.837 176.429 174.600 -0.014 0.000 1.029 557 S CA 1.192 59.380 58.200 -0.021 0.000 0.978 557 S CB -0.141 63.048 63.200 -0.020 0.000 0.833 557 S HN 0.446 nan 8.310 nan 0.000 0.466 558 N N 1.097 119.790 118.700 -0.013 0.000 2.354 558 N HA -0.004 4.736 4.740 0.001 0.000 0.179 558 N C 1.622 177.128 175.510 -0.007 0.000 1.021 558 N CA 0.760 53.805 53.050 -0.008 0.000 0.887 558 N CB -0.432 38.051 38.487 -0.007 0.000 0.974 558 N HN 0.354 nan 8.380 nan 0.000 0.437 559 L N 1.943 123.160 121.223 -0.010 0.000 2.093 559 L HA -0.096 4.244 4.340 0.001 0.000 0.208 559 L C 1.939 178.806 176.870 -0.005 0.000 1.085 559 L CA 1.712 56.547 54.840 -0.008 0.000 0.755 559 L CB -0.719 41.332 42.059 -0.012 0.000 0.904 559 L HN 0.105 nan 8.230 nan 0.000 0.435 560 D N -0.570 119.825 120.400 -0.008 0.000 2.084 560 D HA -0.287 4.354 4.640 0.001 0.000 0.194 560 D C 1.920 178.220 176.300 0.001 0.000 0.990 560 D CA 1.585 55.583 54.000 -0.004 0.000 0.826 560 D CB 0.083 40.877 40.800 -0.010 0.000 0.971 560 D HN 0.573 nan 8.370 nan 0.000 0.453 561 E N -0.154 120.045 120.200 -0.001 0.000 2.065 561 E HA -0.200 4.150 4.350 0.001 0.000 0.201 561 E C 2.336 178.939 176.600 0.004 0.000 1.016 561 E CA 1.541 57.941 56.400 0.001 0.000 0.818 561 E CB 0.037 29.737 29.700 -0.001 0.000 0.749 561 E HN 0.126 nan 8.360 nan 0.000 0.453 562 V N 1.741 121.657 119.914 0.003 0.000 2.392 562 V HA -0.306 3.814 4.120 0.001 0.000 0.249 562 V C 2.396 178.495 176.094 0.008 0.000 1.059 562 V CA 2.402 64.704 62.300 0.005 0.000 1.051 562 V CB -0.648 31.177 31.823 0.003 0.000 0.658 562 V HN 0.413 nan 8.190 nan 0.000 0.455 563 K N 0.497 120.902 120.400 0.009 0.000 2.243 563 K HA -0.117 4.203 4.320 0.001 0.000 0.201 563 K C 2.116 178.726 176.600 0.017 0.000 1.051 563 K CA 1.268 57.563 56.287 0.014 0.000 0.970 563 K CB -0.151 32.359 32.500 0.016 0.000 0.755 563 K HN 0.323 nan 8.250 nan 0.000 0.465 564 K N 1.655 122.065 120.400 0.016 0.000 2.155 564 K HA -0.119 4.202 4.320 0.001 0.000 0.203 564 K C 2.092 178.701 176.600 0.016 0.000 1.052 564 K CA 1.174 57.472 56.287 0.018 0.000 0.948 564 K CB 0.113 32.622 32.500 0.015 0.000 0.728 564 K HN 0.262 nan 8.250 nan 0.000 0.448 565 E N 0.580 120.788 120.200 0.013 0.000 2.268 565 E HA -0.176 4.175 4.350 0.001 0.000 0.195 565 E C 1.621 178.229 176.600 0.014 0.000 0.995 565 E CA 0.718 57.126 56.400 0.013 0.000 0.836 565 E CB 0.176 29.882 29.700 0.010 0.000 0.763 565 E HN 0.274 nan 8.360 nan 0.000 0.491 566 R N 0.244 120.753 120.500 0.015 0.000 2.189 566 R HA -0.100 4.240 4.340 0.001 0.000 0.223 566 R C 2.198 178.509 176.300 0.017 0.000 1.092 566 R CA 1.071 57.180 56.100 0.015 0.000 0.989 566 R CB -0.039 30.269 30.300 0.013 0.000 0.876 566 R HN 0.256 nan 8.270 nan 0.000 0.457 567 E N -0.203 120.008 120.200 0.018 0.000 2.046 567 E HA -0.096 4.255 4.350 0.001 0.000 0.190 567 E C 2.007 178.620 176.600 0.020 0.000 0.982 567 E CA 1.008 57.419 56.400 0.019 0.000 0.800 567 E CB -0.052 29.661 29.700 0.021 0.000 0.756 567 E HN 0.393 nan 8.360 nan 0.000 0.449 568 G N 1.068 109.879 108.800 0.020 0.000 2.418 568 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 568 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 568 G C 1.467 176.381 174.900 0.023 0.000 1.158 568 G CA 0.466 45.578 45.100 0.020 0.000 0.771 568 G HN 0.155 nan 8.290 nan 0.000 0.545 569 L N 0.778 122.016 121.223 0.023 0.000 2.013 569 L HA -0.081 4.260 4.340 0.001 0.000 0.212 569 L C 2.686 179.577 176.870 0.036 0.000 1.073 569 L CA 2.262 57.119 54.840 0.029 0.000 0.753 569 L CB -0.763 41.312 42.059 0.025 0.000 0.890 569 L HN 0.471 nan 8.230 nan 0.000 0.432 570 E N -0.748 119.470 120.200 0.030 0.000 2.077 570 E HA -0.236 4.115 4.350 0.001 0.000 0.193 570 E C 1.906 178.528 176.600 0.037 0.000 0.989 570 E CA 1.624 58.042 56.400 0.030 0.000 0.800 570 E CB -0.070 29.642 29.700 0.020 0.000 0.746 570 E HN 0.636 nan 8.360 nan 0.000 0.452 571 N N 0.003 118.722 118.700 0.033 0.000 2.216 571 N HA -0.120 4.621 4.740 0.001 0.000 0.183 571 N C 1.229 176.764 175.510 0.042 0.000 1.017 571 N CA 1.157 54.227 53.050 0.034 0.000 0.861 571 N CB 0.072 38.575 38.487 0.027 0.000 0.986 571 N HN 0.137 nan 8.380 nan 0.000 0.428 572 D N 0.443 120.868 120.400 0.042 0.000 2.183 572 D HA -0.053 4.587 4.640 0.001 0.000 0.203 572 D C 1.736 178.081 176.300 0.075 0.000 0.969 572 D CA 0.314 54.340 54.000 0.043 0.000 0.842 572 D CB -0.182 40.635 40.800 0.029 0.000 0.957 572 D HN 0.055 nan 8.370 nan 0.000 0.484 573 L N 0.715 121.997 121.223 0.099 0.000 2.127 573 L HA -0.117 4.223 4.340 0.001 0.000 0.211 573 L C 1.821 178.807 176.870 0.192 0.000 1.089 573 L CA 1.745 56.689 54.840 0.172 0.000 0.757 573 L CB -0.302 41.826 42.059 0.115 0.000 0.899 573 L HN -0.058 nan 8.230 nan 0.000 0.434 574 K N -2.190 118.278 120.400 0.113 0.000 2.242 574 K HA 0.093 4.413 4.320 0.001 0.000 0.200 574 K C 1.965 178.621 176.600 0.093 0.000 1.050 574 K CA 0.731 57.074 56.287 0.094 0.000 0.981 574 K CB 0.245 32.778 32.500 0.056 0.000 0.795 574 K HN 0.124 nan 8.250 nan 0.000 0.477 575 S N 0.342 116.087 115.700 0.076 0.000 2.496 575 S HA 0.018 4.489 4.470 0.001 0.000 0.224 575 S C 0.586 175.222 174.600 0.061 0.000 0.996 575 S CA 0.014 58.249 58.200 0.058 0.000 0.927 575 S CB 0.393 63.617 63.200 0.040 0.000 0.774 575 S HN 0.020 nan 8.310 nan 0.000 0.524 576 V N 3.790 123.744 119.914 0.067 0.000 2.644 576 V HA 0.527 4.647 4.120 0.001 0.000 0.295 576 V C -0.663 175.495 176.094 0.107 0.000 1.053 576 V CA -0.522 61.800 62.300 0.036 0.000 0.987 576 V CB 1.451 33.228 31.823 -0.076 0.000 1.006 576 V HN 0.637 nan 8.190 nan 0.000 0.472 577 N N 4.251 123.019 118.700 0.114 0.000 2.745 577 N HA 0.253 4.994 4.740 0.001 0.000 0.256 577 N C -1.947 173.708 175.510 0.243 0.000 1.268 577 N CA -0.531 52.650 53.050 0.219 0.000 0.887 577 N CB 1.777 40.401 38.487 0.229 0.000 1.575 577 N HN 0.426 nan 8.380 nan 0.000 0.496 578 F N 1.099 121.141 119.950 0.153 0.000 2.444 578 F HA 0.317 4.845 4.527 0.001 0.000 0.342 578 F C -0.090 175.738 175.800 0.046 0.000 1.121 578 F CA -0.683 57.355 58.000 0.063 0.000 0.997 578 F CB 1.112 40.130 39.000 0.030 0.000 1.130 578 F HN 0.466 nan 8.300 nan 0.000 0.454 579 D N 4.913 125.040 120.400 -0.454 0.000 2.348 579 D HA 0.078 4.719 4.640 0.001 0.000 0.253 579 D C 0.310 176.288 176.300 -0.537 0.000 1.161 579 D CA 0.140 53.926 54.000 -0.356 0.000 0.876 579 D CB 1.356 41.974 40.800 -0.303 0.000 1.160 579 D HN 0.675 nan 8.370 nan 0.000 0.459 580 M N 2.495 121.910 119.600 -0.308 0.000 2.337 580 M HA 0.066 4.547 4.480 0.001 0.000 0.256 580 M C 1.540 177.623 176.300 -0.361 0.000 1.075 580 M CA 0.220 55.267 55.300 -0.421 0.000 1.024 580 M CB 0.185 32.389 32.600 -0.660 0.000 1.429 580 M HN 0.331 nan 8.290 nan 0.000 0.497 581 T N -0.815 113.690 114.554 -0.081 0.000 2.607 581 T HA -0.186 4.164 4.350 0.001 0.000 0.267 581 T C 1.873 176.583 174.700 0.017 0.000 1.049 581 T CA 2.102 64.254 62.100 0.086 0.000 1.162 581 T CB -0.705 68.201 68.868 0.063 0.000 0.863 581 T HN 0.525 nan 8.240 nan 0.000 0.424 582 S N 0.853 116.509 115.700 -0.073 0.000 2.383 582 S HA -0.206 4.264 4.470 0.001 0.000 0.229 582 S C 2.069 176.633 174.600 -0.061 0.000 1.030 582 S CA 1.817 59.982 58.200 -0.057 0.000 1.002 582 S CB -0.304 62.843 63.200 -0.089 0.000 0.829 582 S HN 0.357 nan 8.310 nan 0.000 0.467 583 K N 0.272 120.580 120.400 -0.154 0.000 2.057 583 K HA 0.064 4.385 4.320 0.001 0.000 0.207 583 K C 1.692 178.216 176.600 -0.126 0.000 1.049 583 K CA 1.881 58.058 56.287 -0.184 0.000 0.931 583 K CB -0.566 31.732 32.500 -0.336 0.000 0.714 583 K HN 0.579 nan 8.250 nan 0.000 0.440 584 F N -0.380 119.574 119.950 0.007 0.000 2.186 584 F HA -0.157 4.371 4.527 0.001 0.000 0.299 584 F C 1.802 177.608 175.800 0.011 0.000 1.090 584 F CA -0.157 57.848 58.000 0.008 0.000 1.307 584 F CB -0.143 38.860 39.000 0.005 0.000 1.019 584 F HN -0.015 nan 8.300 nan 0.000 0.489 585 L N 0.395 121.727 121.223 0.180 0.000 1.990 585 L HA -0.241 4.099 4.340 0.001 0.000 0.213 585 L C 2.495 179.413 176.870 0.080 0.000 1.072 585 L CA 2.031 56.935 54.840 0.107 0.000 0.755 585 L CB -1.650 40.450 42.059 0.069 0.000 0.889 585 L HN 0.104 nan 8.230 nan 0.000 0.432 586 T N -0.451 114.139 114.554 0.060 0.000 2.652 586 T HA -0.216 4.135 4.350 0.001 0.000 0.267 586 T C 1.874 176.609 174.700 0.059 0.000 1.039 586 T CA 1.508 63.635 62.100 0.045 0.000 1.153 586 T CB -0.515 68.367 68.868 0.024 0.000 0.863 586 T HN 0.438 nan 8.240 nan 0.000 0.428 587 A N 0.646 123.516 122.820 0.083 0.000 2.024 587 A HA -0.012 4.308 4.320 0.001 0.000 0.220 587 A C 2.193 179.829 177.584 0.086 0.000 1.164 587 A CA 1.204 53.298 52.037 0.094 0.000 0.643 587 A CB -0.573 18.515 19.000 0.147 0.000 0.806 587 A HN 0.410 nan 8.150 nan 0.000 0.451 588 L N -1.462 119.815 121.223 0.089 0.000 2.253 588 L HA 0.322 4.663 4.340 0.001 0.000 0.205 588 L C 2.497 179.397 176.870 0.050 0.000 1.078 588 L CA 1.681 56.560 54.840 0.066 0.000 0.805 588 L CB -0.542 41.557 42.059 0.066 0.000 0.963 588 L HN 0.239 nan 8.230 nan 0.000 0.459 589 A N -0.507 122.344 122.820 0.050 0.000 1.970 589 A HA -0.159 4.161 4.320 0.001 0.000 0.216 589 A C 2.147 179.752 177.584 0.035 0.000 1.170 589 A CA 1.357 53.418 52.037 0.041 0.000 0.645 589 A CB -0.423 18.601 19.000 0.040 0.000 0.816 589 A HN 0.705 nan 8.150 nan 0.000 0.447 590 Q N -1.410 118.411 119.800 0.036 0.000 2.373 590 Q HA 0.109 4.449 4.340 0.001 0.000 0.210 590 Q C -0.369 175.649 176.000 0.030 0.000 0.913 590 Q CA 0.507 56.329 55.803 0.031 0.000 0.911 590 Q CB 0.090 28.845 28.738 0.028 0.000 1.040 590 Q HN 0.365 nan 8.270 nan 0.000 0.521 591 D N -0.347 120.074 120.400 0.035 0.000 2.506 591 D HA 0.337 4.978 4.640 0.001 0.000 0.254 591 D C 0.694 177.013 176.300 0.032 0.000 1.089 591 D CA -0.044 53.976 54.000 0.033 0.000 1.050 591 D CB 1.261 42.083 40.800 0.037 0.000 1.221 591 D HN 0.106 nan 8.370 nan 0.000 0.589 592 G N -0.598 108.218 108.800 0.028 0.000 2.524 592 G HA2 0.047 4.008 3.960 0.001 0.000 0.215 592 G HA3 0.047 4.008 3.960 0.001 0.000 0.215 592 G C 0.640 175.554 174.900 0.024 0.000 1.239 592 G CA 1.701 46.815 45.100 0.024 0.000 0.798 592 G HN 0.380 nan 8.290 nan 0.000 0.557 593 V N -2.293 117.635 119.914 0.024 0.000 3.221 593 V HA 0.698 4.819 4.120 0.001 0.000 0.305 593 V C -0.249 175.865 176.094 0.032 0.000 1.263 593 V CA -1.584 60.729 62.300 0.020 0.000 1.048 593 V CB 1.538 33.367 31.823 0.010 0.000 1.203 593 V HN 0.162 nan 8.190 nan 0.000 0.476 594 I N 1.742 122.323 120.570 0.019 0.000 2.354 594 I HA 0.408 4.578 4.170 0.001 0.000 0.292 594 I C -0.549 175.585 176.117 0.028 0.000 0.989 594 I CA -0.191 61.130 61.300 0.035 0.000 1.188 594 I CB 1.409 39.393 38.000 -0.026 0.000 1.342 594 I HN 0.707 nan 8.210 nan 0.000 0.457 595 N N 4.901 123.642 118.700 0.069 0.000 3.105 595 N HA 0.054 4.794 4.740 0.001 0.000 0.256 595 N C 0.916 176.492 175.510 0.110 0.000 1.174 595 N CA -0.368 52.721 53.050 0.066 0.000 1.030 595 N CB 0.447 38.970 38.487 0.060 0.000 1.305 595 N HN 0.598 nan 8.380 nan 0.000 0.509 596 E N 0.944 121.197 120.200 0.089 0.000 2.077 596 E HA -0.178 4.172 4.350 0.001 0.000 0.193 596 E C 1.251 177.953 176.600 0.170 0.000 0.989 596 E CA 1.149 57.651 56.400 0.170 0.000 0.800 596 E CB -0.185 29.520 29.700 0.008 0.000 0.746 596 E HN 0.397 nan 8.360 nan 0.000 0.452 597 E N 0.778 121.038 120.200 0.100 0.000 2.035 597 E HA -0.285 4.065 4.350 0.001 0.000 0.204 597 E C 2.054 178.709 176.600 0.092 0.000 1.025 597 E CA 2.018 58.469 56.400 0.085 0.000 0.835 597 E CB -0.532 29.199 29.700 0.052 0.000 0.764 597 E HN 0.425 nan 8.360 nan 0.000 0.457 598 A N 0.374 123.242 122.820 0.079 0.000 2.014 598 A HA -0.117 4.204 4.320 0.001 0.000 0.218 598 A C 2.125 179.756 177.584 0.078 0.000 1.163 598 A CA 0.933 53.010 52.037 0.067 0.000 0.652 598 A CB -0.325 18.706 19.000 0.051 0.000 0.808 598 A HN 0.283 nan 8.150 nan 0.000 0.449 599 L N -0.601 120.690 121.223 0.113 0.000 2.209 599 L HA 0.037 4.378 4.340 0.001 0.000 0.207 599 L C 2.433 179.364 176.870 0.102 0.000 1.094 599 L CA 2.117 57.021 54.840 0.107 0.000 0.790 599 L CB -0.337 41.822 42.059 0.168 0.000 0.932 599 L HN 0.268 nan 8.230 nan 0.000 0.447 600 S N -1.498 114.313 115.700 0.185 0.000 2.377 600 S HA -0.087 4.383 4.470 0.001 0.000 0.223 600 S C 1.973 176.687 174.600 0.190 0.000 1.030 600 S CA 1.101 59.449 58.200 0.248 0.000 0.970 600 S CB -0.301 63.134 63.200 0.392 0.000 0.830 600 S HN 0.248 nan 8.310 nan 0.000 0.473 601 V N 2.820 122.813 119.914 0.132 0.000 2.324 601 V HA -0.229 3.892 4.120 0.001 0.000 0.250 601 V C 2.880 179.014 176.094 0.066 0.000 1.060 601 V CA 2.261 64.614 62.300 0.088 0.000 1.042 601 V CB -1.441 30.419 31.823 0.062 0.000 0.650 601 V HN 0.769 nan 8.190 nan 0.000 0.450 602 T N -2.541 112.040 114.554 0.046 0.000 2.951 602 T HA -0.144 4.206 4.350 0.001 0.000 0.268 602 T C 1.694 176.384 174.700 -0.017 0.000 1.073 602 T CA 1.351 63.458 62.100 0.012 0.000 1.134 602 T CB -0.128 68.739 68.868 -0.002 0.000 0.884 602 T HN 0.391 nan 8.240 nan 0.000 0.479 603 E N 1.217 121.408 120.200 -0.015 0.000 2.076 603 E HA 0.190 4.541 4.350 0.001 0.000 0.190 603 E C 2.006 178.618 176.600 0.021 0.000 0.979 603 E CA 0.498 56.842 56.400 -0.092 0.000 0.807 603 E CB -0.602 29.003 29.700 -0.159 0.000 0.761 603 E HN 0.495 nan 8.360 nan 0.000 0.454 604 L N 0.598 121.926 121.223 0.175 0.000 2.191 604 L HA -0.171 4.169 4.340 0.001 0.000 0.212 604 L C 1.837 178.829 176.870 0.204 0.000 1.103 604 L CA 1.330 56.338 54.840 0.280 0.000 0.769 604 L CB -0.237 41.939 42.059 0.195 0.000 0.908 604 L HN 0.155 nan 8.230 nan 0.000 0.438 605 D N -0.425 120.031 120.400 0.093 0.000 2.234 605 D HA -0.139 4.501 4.640 0.001 0.000 0.205 605 D C 2.317 178.626 176.300 0.016 0.000 0.962 605 D CA 0.663 54.697 54.000 0.057 0.000 0.855 605 D CB 0.154 40.972 40.800 0.030 0.000 0.951 605 D HN -0.033 nan 8.370 nan 0.000 0.500 606 R N 0.026 120.507 120.500 -0.032 0.000 2.093 606 R HA 0.009 4.349 4.340 0.001 0.000 0.224 606 R C 1.812 178.041 176.300 -0.120 0.000 1.101 606 R CA 0.618 56.665 56.100 -0.088 0.000 0.979 606 R CB -0.095 30.116 30.300 -0.148 0.000 0.877 606 R HN 0.137 nan 8.270 nan 0.000 0.441 607 V N -0.620 119.208 119.914 -0.144 0.000 2.500 607 V HA -0.112 4.008 4.120 0.001 0.000 0.243 607 V C 1.212 177.087 176.094 -0.365 0.000 1.039 607 V CA 1.272 63.396 62.300 -0.294 0.000 1.053 607 V CB -0.354 31.235 31.823 -0.390 0.000 0.695 607 V HN 0.231 nan 8.190 nan 0.000 0.463 608 Y N 0.336 120.634 120.300 -0.004 0.000 2.444 608 Y HA 0.375 4.926 4.550 0.001 0.000 0.249 608 Y C 2.292 178.190 175.900 -0.004 0.000 1.134 608 Y CA 0.390 58.491 58.100 0.002 0.000 1.261 608 Y CB -0.098 38.365 38.460 0.006 0.000 1.143 608 Y HN 0.203 nan 8.280 nan 0.000 0.523 609 G N 0.237 109.098 108.800 0.102 0.000 2.422 609 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 609 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 609 G C 1.946 176.869 174.900 0.038 0.000 1.146 609 G CA 0.996 46.132 45.100 0.060 0.000 0.769 609 G HN 0.489 nan 8.290 nan 0.000 0.547 610 G N 0.465 109.277 108.800 0.019 0.000 2.443 610 G HA2 -0.033 3.928 3.960 0.001 0.000 0.219 610 G HA3 -0.033 3.928 3.960 0.001 0.000 0.219 610 G C 1.717 176.630 174.900 0.023 0.000 1.131 610 G CA 0.714 45.820 45.100 0.009 0.000 0.775 610 G HN 0.444 nan 8.290 nan 0.000 0.547 611 L N 0.571 121.821 121.223 0.044 0.000 2.200 611 L HA 0.054 4.395 4.340 0.001 0.000 0.200 611 L C 3.240 180.146 176.870 0.059 0.000 1.072 611 L CA 1.392 56.267 54.840 0.058 0.000 0.787 611 L CB -0.854 41.258 42.059 0.089 0.000 0.957 611 L HN 0.281 nan 8.230 nan 0.000 0.459 612 T N -3.683 110.915 114.554 0.074 0.000 2.881 612 T HA -0.165 4.185 4.350 0.001 0.000 0.270 612 T C 1.758 176.476 174.700 0.030 0.000 1.068 612 T CA 1.737 63.865 62.100 0.048 0.000 1.131 612 T CB -0.711 68.184 68.868 0.045 0.000 0.871 612 T HN 0.192 nan 8.240 nan 0.000 0.479 613 T N 2.024 116.595 114.554 0.029 0.000 2.674 613 T HA -0.039 4.311 4.350 0.001 0.000 0.265 613 T C 1.973 176.683 174.700 0.016 0.000 1.039 613 T CA 1.465 63.576 62.100 0.019 0.000 1.150 613 T CB -0.263 68.615 68.868 0.016 0.000 0.864 613 T HN 0.494 nan 8.240 nan 0.000 0.427 614 K N 0.592 121.003 120.400 0.018 0.000 2.103 614 K HA -0.053 4.268 4.320 0.001 0.000 0.207 614 K C 2.308 178.917 176.600 0.015 0.000 1.048 614 K CA 0.895 57.191 56.287 0.015 0.000 0.930 614 K CB -0.462 32.048 32.500 0.016 0.000 0.716 614 K HN 0.133 nan 8.250 nan 0.000 0.444 615 V N 1.664 121.589 119.914 0.018 0.000 2.343 615 V HA -0.252 3.868 4.120 0.001 0.000 0.247 615 V C 2.352 178.452 176.094 0.009 0.000 1.051 615 V CA 1.647 63.956 62.300 0.014 0.000 1.036 615 V CB -0.415 31.418 31.823 0.016 0.000 0.654 615 V HN 0.344 nan 8.190 nan 0.000 0.451 616 Q N -0.219 119.586 119.800 0.009 0.000 2.119 616 Q HA -0.181 4.159 4.340 0.001 0.000 0.201 616 Q C 2.184 178.188 176.000 0.006 0.000 0.972 616 Q CA 1.322 57.128 55.803 0.006 0.000 0.847 616 Q CB -0.279 28.462 28.738 0.006 0.000 0.903 616 Q HN 0.709 nan 8.270 nan 0.000 0.433 617 E N 0.165 120.369 120.200 0.007 0.000 2.204 617 E HA -0.097 4.254 4.350 0.001 0.000 0.194 617 E C 2.061 178.664 176.600 0.005 0.000 0.989 617 E CA 0.670 57.073 56.400 0.006 0.000 0.824 617 E CB 0.080 29.783 29.700 0.006 0.000 0.756 617 E HN 0.117 nan 8.360 nan 0.000 0.477 618 S N 0.563 116.267 115.700 0.006 0.000 2.343 618 S HA -0.118 4.352 4.470 0.001 0.000 0.219 618 S C 1.940 176.542 174.600 0.004 0.000 1.033 618 S CA 0.809 59.012 58.200 0.005 0.000 1.014 618 S CB -0.154 63.050 63.200 0.007 0.000 0.915 618 S HN 0.146 nan 8.310 nan 0.000 0.435 619 L N 1.530 122.755 121.223 0.003 0.000 1.990 619 L HA -0.207 4.133 4.340 0.001 0.000 0.213 619 L C 2.649 179.520 176.870 0.002 0.000 1.072 619 L CA 1.471 56.312 54.840 0.002 0.000 0.755 619 L CB -0.547 41.513 42.059 0.001 0.000 0.889 619 L HN 0.232 nan 8.230 nan 0.000 0.432 620 K N 0.110 120.511 120.400 0.002 0.000 2.057 620 K HA -0.229 4.091 4.320 0.001 0.000 0.207 620 K C 2.078 178.679 176.600 0.002 0.000 1.049 620 K CA 1.323 57.611 56.287 0.002 0.000 0.931 620 K CB -0.307 32.194 32.500 0.003 0.000 0.714 620 K HN 0.300 nan 8.250 nan 0.000 0.440 621 K N 1.584 121.986 120.400 0.002 0.000 2.057 621 K HA -0.211 4.109 4.320 0.001 0.000 0.207 621 K C 2.339 178.940 176.600 0.001 0.000 1.049 621 K CA 1.384 57.672 56.287 0.002 0.000 0.931 621 K CB 0.038 32.539 32.500 0.002 0.000 0.714 621 K HN 0.141 nan 8.250 nan 0.000 0.440 622 Q N 0.773 120.574 119.800 0.001 0.000 2.050 622 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 622 Q C 1.579 177.579 176.000 -0.000 0.000 0.980 622 Q CA 2.011 57.814 55.803 -0.000 0.000 0.840 622 Q CB 0.061 28.799 28.738 0.000 0.000 0.898 622 Q HN 0.367 nan 8.270 nan 0.000 0.424 623 E N -0.458 119.742 120.200 0.001 0.000 2.085 623 E HA -0.164 4.187 4.350 0.001 0.000 0.194 623 E C 1.877 178.478 176.600 0.002 0.000 0.994 623 E CA 1.075 57.476 56.400 0.001 0.000 0.801 623 E CB -0.342 29.359 29.700 0.002 0.000 0.743 623 E HN 0.592 nan 8.360 nan 0.000 0.453 624 G N 0.992 109.794 108.800 0.002 0.000 2.433 624 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 624 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 624 G C 1.554 176.456 174.900 0.003 0.000 1.186 624 G CA 0.636 45.738 45.100 0.003 0.000 0.779 624 G HN 0.093 nan 8.290 nan 0.000 0.543 625 L N -0.040 121.184 121.223 0.001 0.000 2.046 625 L HA -0.001 4.339 4.340 0.001 0.000 0.208 625 L C 2.920 179.790 176.870 -0.001 0.000 1.077 625 L CA 0.585 55.424 54.840 -0.001 0.000 0.747 625 L CB -0.336 41.721 42.059 -0.004 0.000 0.896 625 L HN 0.177 nan 8.230 nan 0.000 0.432 626 L N -0.360 120.862 121.223 -0.001 0.000 2.093 626 L HA -0.208 4.132 4.340 0.001 0.000 0.208 626 L C 2.705 179.577 176.870 0.004 0.000 1.085 626 L CA 1.133 55.972 54.840 -0.002 0.000 0.755 626 L CB -0.535 41.522 42.059 -0.004 0.000 0.904 626 L HN 0.304 nan 8.230 nan 0.000 0.435 627 K N 1.449 121.854 120.400 0.007 0.000 2.001 627 K HA -0.237 4.084 4.320 0.001 0.000 0.214 627 K C 1.591 178.202 176.600 0.018 0.000 1.050 627 K CA 2.291 58.585 56.287 0.012 0.000 0.934 627 K CB -0.254 32.252 32.500 0.010 0.000 0.718 627 K HN 0.563 nan 8.250 nan 0.000 0.443 628 N N -0.031 118.678 118.700 0.016 0.000 2.412 628 N HA -0.049 4.691 4.740 0.001 0.000 0.184 628 N C 1.861 177.387 175.510 0.026 0.000 1.101 628 N CA 0.087 53.150 53.050 0.021 0.000 0.881 628 N CB 0.007 38.504 38.487 0.016 0.000 0.969 628 N HN 0.232 nan 8.380 nan 0.000 0.459 629 I N 1.216 121.798 120.570 0.019 0.000 2.315 629 I HA -0.209 3.962 4.170 0.001 0.000 0.248 629 I C 2.329 178.479 176.117 0.055 0.000 1.117 629 I CA 1.202 62.515 61.300 0.021 0.000 1.404 629 I CB -0.007 37.990 38.000 -0.004 0.000 1.071 629 I HN 0.231 nan 8.210 nan 0.000 0.419 630 Q N -0.657 119.173 119.800 0.050 0.000 2.187 630 Q HA -0.113 4.228 4.340 0.001 0.000 0.199 630 Q C 2.262 178.325 176.000 0.105 0.000 0.957 630 Q CA 0.910 56.760 55.803 0.079 0.000 0.857 630 Q CB 0.217 28.982 28.738 0.046 0.000 0.929 630 Q HN 0.340 nan 8.270 nan 0.000 0.453 631 V N -0.157 119.800 119.914 0.072 0.000 2.719 631 V HA -0.141 3.980 4.120 0.001 0.000 0.252 631 V C 2.108 178.245 176.094 0.072 0.000 1.065 631 V CA 1.576 63.914 62.300 0.063 0.000 1.086 631 V CB 0.327 32.174 31.823 0.041 0.000 0.700 631 V HN 0.268 nan 8.190 nan 0.000 0.467 632 S N -1.031 114.717 115.700 0.081 0.000 2.395 632 S HA -0.198 4.273 4.470 0.001 0.000 0.225 632 S C 1.961 176.641 174.600 0.132 0.000 1.027 632 S CA 1.625 59.875 58.200 0.083 0.000 0.965 632 S CB -0.360 62.873 63.200 0.055 0.000 0.812 632 S HN 0.885 nan 8.310 nan 0.000 0.482 633 H N 1.255 120.365 119.070 0.066 0.000 2.357 633 H HA 0.039 4.596 4.556 0.001 0.000 0.301 633 H C 2.300 177.724 175.328 0.160 0.000 1.082 633 H CA 2.140 58.262 56.048 0.124 0.000 1.342 633 H CB -0.414 29.392 29.762 0.074 0.000 1.389 633 H HN 0.338 nan 8.280 nan 0.000 0.511 634 Q N 0.684 120.538 119.800 0.090 0.000 2.152 634 Q HA -0.213 4.127 4.340 0.001 0.000 0.206 634 Q C 1.649 177.629 176.000 -0.033 0.000 0.985 634 Q CA 1.934 57.748 55.803 0.018 0.000 0.863 634 Q CB -0.039 28.740 28.738 0.068 0.000 0.904 634 Q HN 0.671 nan 8.270 nan 0.000 0.422 635 E N -0.369 119.836 120.200 0.009 0.000 2.072 635 E HA -0.121 4.230 4.350 0.001 0.000 0.190 635 E C 1.822 178.419 176.600 -0.005 0.000 0.982 635 E CA 0.655 57.059 56.400 0.007 0.000 0.803 635 E CB -0.456 29.266 29.700 0.037 0.000 0.755 635 E HN 0.388 nan 8.360 nan 0.000 0.453 636 F N 2.587 122.458 119.950 -0.132 0.000 2.161 636 F HA -0.228 4.300 4.527 0.001 0.000 0.300 636 F C 2.468 178.160 175.800 -0.179 0.000 1.089 636 F CA 1.868 59.785 58.000 -0.137 0.000 1.282 636 F CB -0.230 38.701 39.000 -0.116 0.000 1.010 636 F HN -0.045 nan 8.300 nan 0.000 0.485 637 S N -0.815 114.668 115.700 -0.362 0.000 2.428 637 S HA -0.118 4.352 4.470 0.001 0.000 0.230 637 S C 1.874 176.309 174.600 -0.275 0.000 1.014 637 S CA 0.737 58.707 58.200 -0.384 0.000 0.957 637 S CB -0.371 62.650 63.200 -0.299 0.000 0.784 637 S HN 0.232 nan 8.310 nan 0.000 0.499 638 K N 1.705 121.984 120.400 -0.202 0.000 2.147 638 K HA 0.194 4.514 4.320 0.001 0.000 0.205 638 K C 1.950 178.456 176.600 -0.156 0.000 1.049 638 K CA 1.392 57.596 56.287 -0.139 0.000 0.936 638 K CB -0.595 31.852 32.500 -0.088 0.000 0.722 638 K HN 0.548 nan 8.250 nan 0.000 0.446 639 M N -0.599 118.871 119.600 -0.218 0.000 2.288 639 M HA -0.028 4.452 4.480 0.001 0.000 0.266 639 M C -0.015 176.156 176.300 -0.216 0.000 1.072 639 M CA 1.131 56.312 55.300 -0.198 0.000 1.132 639 M CB 0.171 32.649 32.600 -0.204 0.000 1.386 639 M HN -0.282 nan 8.290 nan 0.000 0.432 640 K N 1.253 121.473 120.400 -0.301 0.000 2.507 640 K HA 0.309 4.629 4.320 0.001 0.000 0.253 640 K C -0.535 175.963 176.600 -0.171 0.000 0.969 640 K CA -0.190 55.951 56.287 -0.244 0.000 0.908 640 K CB 1.298 33.603 32.500 -0.325 0.000 1.127 640 K HN 0.075 nan 8.250 nan 0.000 0.437 641 Q N 0.408 120.142 119.800 -0.110 0.000 2.631 641 Q HA 0.223 4.563 4.340 0.001 0.000 0.210 641 Q C -0.378 175.589 176.000 -0.056 0.000 1.094 641 Q CA 0.243 56.000 55.803 -0.077 0.000 1.055 641 Q CB 0.742 29.446 28.738 -0.056 0.000 1.261 641 Q HN 0.427 nan 8.270 nan 0.000 0.615 642 S N 1.166 116.843 115.700 -0.039 0.000 2.520 642 S HA 0.292 4.762 4.470 0.001 0.000 0.324 642 S C -0.754 173.836 174.600 -0.016 0.000 1.069 642 S CA -0.701 57.485 58.200 -0.024 0.000 1.121 642 S CB 0.104 63.294 63.200 -0.018 0.000 0.971 642 S HN 0.569 nan 8.310 nan 0.000 0.463 643 N N 1.905 120.598 118.700 -0.012 0.000 2.469 643 N HA 0.424 5.165 4.740 0.001 0.000 0.286 643 N C 0.318 175.826 175.510 -0.002 0.000 1.275 643 N CA -1.008 52.037 53.050 -0.008 0.000 0.790 643 N CB 0.502 38.984 38.487 -0.009 0.000 1.446 643 N HN 0.143 nan 8.380 nan 0.000 0.501 644 N N -0.041 118.659 118.700 -0.001 0.000 2.396 644 N HA -0.134 4.606 4.740 0.001 0.000 0.180 644 N C 0.692 176.205 175.510 0.004 0.000 1.028 644 N CA 0.696 53.748 53.050 0.002 0.000 0.893 644 N CB -0.059 38.429 38.487 0.002 0.000 0.967 644 N HN 0.748 nan 8.380 nan 0.000 0.440 645 E N 0.802 121.004 120.200 0.003 0.000 2.150 645 E HA 0.004 4.354 4.350 0.001 0.000 0.193 645 E C 1.523 178.127 176.600 0.007 0.000 0.985 645 E CA 0.787 57.189 56.400 0.004 0.000 0.814 645 E CB 0.120 29.821 29.700 0.002 0.000 0.752 645 E HN 0.357 nan 8.360 nan 0.000 0.466 646 A N -0.008 122.816 122.820 0.006 0.000 2.169 646 A HA 0.064 4.385 4.320 0.001 0.000 0.210 646 A C 1.550 179.144 177.584 0.016 0.000 1.168 646 A CA 0.243 52.287 52.037 0.011 0.000 0.813 646 A CB -0.196 18.808 19.000 0.007 0.000 0.861 646 A HN 0.200 nan 8.150 nan 0.000 0.481 647 N N -0.208 118.500 118.700 0.013 0.000 2.142 647 N HA -0.122 4.618 4.740 0.001 0.000 0.186 647 N C 1.630 177.151 175.510 0.019 0.000 1.023 647 N CA 1.048 54.109 53.050 0.017 0.000 0.852 647 N CB -0.112 38.382 38.487 0.013 0.000 0.998 647 N HN 0.312 nan 8.380 nan 0.000 0.424 648 L N 2.093 123.325 121.223 0.015 0.000 1.994 648 L HA -0.104 4.237 4.340 0.001 0.000 0.208 648 L C 2.281 179.161 176.870 0.017 0.000 1.071 648 L CA 1.578 56.426 54.840 0.015 0.000 0.745 648 L CB -0.919 41.146 42.059 0.011 0.000 0.892 648 L HN 0.061 nan 8.230 nan 0.000 0.431 649 R N -0.763 119.747 120.500 0.017 0.000 2.105 649 R HA -0.188 4.153 4.340 0.001 0.000 0.239 649 R C 2.224 178.540 176.300 0.026 0.000 1.135 649 R CA 1.525 57.636 56.100 0.019 0.000 0.967 649 R CB -0.178 30.133 30.300 0.019 0.000 0.861 649 R HN 0.457 nan 8.270 nan 0.000 0.442 650 E N 0.450 120.668 120.200 0.030 0.000 2.047 650 E HA -0.194 4.156 4.350 0.001 0.000 0.191 650 E C 1.781 178.403 176.600 0.037 0.000 0.987 650 E CA 1.186 57.610 56.400 0.040 0.000 0.799 650 E CB 0.044 29.771 29.700 0.045 0.000 0.752 650 E HN 0.423 nan 8.360 nan 0.000 0.449 651 E N 0.122 120.341 120.200 0.031 0.000 2.077 651 E HA -0.145 4.206 4.350 0.001 0.000 0.193 651 E C 2.246 178.863 176.600 0.028 0.000 0.989 651 E CA 0.924 57.341 56.400 0.029 0.000 0.800 651 E CB 0.076 29.791 29.700 0.025 0.000 0.746 651 E HN 0.102 nan 8.360 nan 0.000 0.452 652 V N 1.412 121.341 119.914 0.025 0.000 2.287 652 V HA -0.265 3.855 4.120 0.001 0.000 0.248 652 V C 2.375 178.483 176.094 0.024 0.000 1.053 652 V CA 1.230 63.543 62.300 0.023 0.000 1.027 652 V CB -0.406 31.428 31.823 0.018 0.000 0.646 652 V HN 0.197 nan 8.190 nan 0.000 0.447 653 L N -0.015 121.222 121.223 0.024 0.000 1.994 653 L HA -0.165 4.175 4.340 0.001 0.000 0.208 653 L C 2.442 179.327 176.870 0.025 0.000 1.071 653 L CA 1.835 56.689 54.840 0.022 0.000 0.745 653 L CB -1.210 40.864 42.059 0.025 0.000 0.892 653 L HN 0.307 nan 8.230 nan 0.000 0.431 654 K N -0.509 119.908 120.400 0.029 0.000 2.074 654 K HA -0.210 4.111 4.320 0.001 0.000 0.209 654 K C 1.785 178.405 176.600 0.034 0.000 1.048 654 K CA 1.635 57.939 56.287 0.028 0.000 0.926 654 K CB -0.394 32.123 32.500 0.029 0.000 0.713 654 K HN 0.355 nan 8.250 nan 0.000 0.444 655 N N 1.001 119.724 118.700 0.037 0.000 2.270 655 N HA -0.066 4.674 4.740 0.001 0.000 0.181 655 N C 1.832 177.372 175.510 0.051 0.000 1.016 655 N CA 0.787 53.865 53.050 0.047 0.000 0.870 655 N CB -0.217 38.298 38.487 0.046 0.000 0.979 655 N HN 0.128 nan 8.380 nan 0.000 0.431 656 L N 0.195 121.443 121.223 0.041 0.000 2.141 656 L HA -0.018 4.322 4.340 0.001 0.000 0.209 656 L C 2.231 179.137 176.870 0.060 0.000 1.094 656 L CA 0.880 55.746 54.840 0.044 0.000 0.763 656 L CB -0.331 41.743 42.059 0.025 0.000 0.908 656 L HN 0.124 nan 8.230 nan 0.000 0.437 657 A N -0.703 122.146 122.820 0.049 0.000 1.929 657 A HA -0.150 4.170 4.320 0.001 0.000 0.216 657 A C 2.343 179.985 177.584 0.097 0.000 1.176 657 A CA 2.005 54.080 52.037 0.063 0.000 0.628 657 A CB -0.744 18.274 19.000 0.029 0.000 0.816 657 A HN 0.328 nan 8.150 nan 0.000 0.444 658 T N 0.335 114.926 114.554 0.062 0.000 2.821 658 T HA 0.003 4.354 4.350 0.001 0.000 0.267 658 T C 2.173 176.884 174.700 0.019 0.000 1.046 658 T CA 1.347 63.469 62.100 0.036 0.000 1.139 658 T CB -0.363 68.524 68.868 0.032 0.000 0.871 658 T HN 0.573 nan 8.240 nan 0.000 0.454 659 A N 0.421 123.277 122.820 0.060 0.000 1.933 659 A HA -0.112 4.208 4.320 0.001 0.000 0.218 659 A C 2.054 179.702 177.584 0.107 0.000 1.175 659 A CA 1.474 53.553 52.037 0.069 0.000 0.628 659 A CB -0.883 18.169 19.000 0.087 0.000 0.814 659 A HN 0.610 nan 8.150 nan 0.000 0.444 660 Y N 1.149 121.462 120.300 0.020 0.000 2.163 660 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 660 Y C 1.851 177.793 175.900 0.071 0.000 1.136 660 Y CA 1.885 60.014 58.100 0.047 0.000 1.147 660 Y CB -0.229 38.241 38.460 0.017 0.000 0.987 660 Y HN 0.339 nan 8.280 nan 0.000 0.509 661 D N 0.042 120.463 120.400 0.034 0.000 2.158 661 D HA -0.212 4.428 4.640 0.001 0.000 0.197 661 D C 1.588 177.803 176.300 -0.141 0.000 0.995 661 D CA 1.842 55.797 54.000 -0.074 0.000 0.846 661 D CB -0.473 40.323 40.800 -0.007 0.000 0.941 661 D HN 0.594 nan 8.370 nan 0.000 0.456 662 N N -0.540 118.078 118.700 -0.136 0.000 2.207 662 N HA -0.074 4.667 4.740 0.001 0.000 0.182 662 N C 1.634 177.097 175.510 -0.079 0.000 1.020 662 N CA 0.220 53.161 53.050 -0.183 0.000 0.858 662 N CB -0.208 38.044 38.487 -0.391 0.000 0.991 662 N HN 0.031 nan 8.380 nan 0.000 0.427 663 F N 1.728 121.581 119.950 -0.161 0.000 2.120 663 F HA -0.200 4.328 4.527 0.001 0.000 0.300 663 F C 1.926 177.620 175.800 -0.177 0.000 1.095 663 F CA 1.127 59.049 58.000 -0.129 0.000 1.249 663 F CB -0.262 38.666 39.000 -0.120 0.000 0.995 663 F HN -0.194 nan 8.300 nan 0.000 0.480 664 V N -0.141 119.653 119.914 -0.201 0.000 2.379 664 V HA -0.259 3.861 4.120 0.001 0.000 0.245 664 V C 2.274 178.238 176.094 -0.217 0.000 1.044 664 V CA 2.183 64.326 62.300 -0.261 0.000 1.036 664 V CB -0.605 31.010 31.823 -0.347 0.000 0.664 664 V HN 0.311 nan 8.190 nan 0.000 0.453 665 E N -0.460 119.635 120.200 -0.175 0.000 2.106 665 E HA -0.209 4.142 4.350 0.001 0.000 0.192 665 E C 2.068 178.589 176.600 -0.132 0.000 0.984 665 E CA 1.001 57.324 56.400 -0.129 0.000 0.806 665 E CB -0.055 29.582 29.700 -0.105 0.000 0.750 665 E HN 0.363 nan 8.360 nan 0.000 0.458 666 L N -0.163 120.964 121.223 -0.160 0.000 2.072 666 L HA -0.097 4.243 4.340 0.001 0.000 0.205 666 L C 2.156 178.900 176.870 -0.211 0.000 1.079 666 L CA 1.144 55.898 54.840 -0.144 0.000 0.752 666 L CB -0.409 41.589 42.059 -0.102 0.000 0.906 666 L HN 0.012 nan 8.230 nan 0.000 0.436 667 V N -0.104 119.598 119.914 -0.353 0.000 2.332 667 V HA -0.334 3.787 4.120 0.001 0.000 0.248 667 V C 2.714 178.693 176.094 -0.193 0.000 1.055 667 V CA 1.752 63.845 62.300 -0.345 0.000 1.038 667 V CB -1.109 30.416 31.823 -0.497 0.000 0.651 667 V HN 0.574 nan 8.190 nan 0.000 0.450 668 A N 0.010 122.733 122.820 -0.163 0.000 1.898 668 A HA -0.185 4.136 4.320 0.001 0.000 0.216 668 A C 2.042 179.578 177.584 -0.081 0.000 1.181 668 A CA 1.795 53.771 52.037 -0.102 0.000 0.620 668 A CB -0.619 18.329 19.000 -0.088 0.000 0.819 668 A HN 0.582 nan 8.150 nan 0.000 0.442 669 N N 0.203 118.852 118.700 -0.085 0.000 2.166 669 N HA -0.083 4.657 4.740 0.001 0.000 0.186 669 N C 1.534 177.007 175.510 -0.060 0.000 1.019 669 N CA 1.217 54.226 53.050 -0.069 0.000 0.856 669 N CB -0.480 37.970 38.487 -0.062 0.000 0.993 669 N HN 0.490 nan 8.380 nan 0.000 0.426 670 L N 0.551 121.730 121.223 -0.073 0.000 2.291 670 L HA -0.037 4.304 4.340 0.001 0.000 0.214 670 L C 2.049 178.900 176.870 -0.033 0.000 1.120 670 L CA 0.888 55.693 54.840 -0.059 0.000 0.799 670 L CB -0.030 41.971 42.059 -0.096 0.000 0.925 670 L HN 0.100 nan 8.230 nan 0.000 0.446 671 K N -0.327 120.047 120.400 -0.042 0.000 2.098 671 K HA -0.140 4.181 4.320 0.001 0.000 0.203 671 K C 1.957 178.560 176.600 0.005 0.000 1.051 671 K CA 0.714 56.990 56.287 -0.018 0.000 0.957 671 K CB 0.049 32.530 32.500 -0.031 0.000 0.738 671 K HN 0.206 nan 8.250 nan 0.000 0.447 672 E N 0.710 120.904 120.200 -0.010 0.000 2.049 672 E HA -0.214 4.136 4.350 0.001 0.000 0.198 672 E C 2.014 178.628 176.600 0.023 0.000 1.007 672 E CA 1.676 58.075 56.400 -0.002 0.000 0.809 672 E CB -0.246 29.433 29.700 -0.035 0.000 0.749 672 E HN 0.349 nan 8.360 nan 0.000 0.450 673 G N -0.187 108.614 108.800 0.002 0.000 2.476 673 G HA2 -0.323 3.638 3.960 0.001 0.000 0.218 673 G HA3 -0.323 3.638 3.960 0.001 0.000 0.218 673 G C 1.644 176.654 174.900 0.184 0.000 1.164 673 G CA 1.517 46.640 45.100 0.037 0.000 0.768 673 G HN 0.324 nan 8.290 nan 0.000 0.560 674 T N 0.241 114.884 114.554 0.150 0.000 2.674 674 T HA -0.070 4.280 4.350 0.001 0.000 0.265 674 T C 2.249 177.037 174.700 0.148 0.000 1.039 674 T CA 1.481 63.680 62.100 0.164 0.000 1.150 674 T CB -0.193 68.724 68.868 0.080 0.000 0.864 674 T HN 0.295 nan 8.240 nan 0.000 0.427 675 K N 0.001 120.459 120.400 0.097 0.000 2.044 675 K HA -0.142 4.178 4.320 0.001 0.000 0.210 675 K C 2.097 178.740 176.600 0.073 0.000 1.049 675 K CA 1.514 57.842 56.287 0.069 0.000 0.927 675 K CB -0.363 32.167 32.500 0.051 0.000 0.713 675 K HN 0.323 nan 8.250 nan 0.000 0.443 676 F N 0.474 120.395 119.950 -0.049 0.000 2.065 676 F HA -0.283 4.245 4.527 0.001 0.000 0.298 676 F C 1.814 177.567 175.800 -0.079 0.000 1.112 676 F CA 1.692 59.626 58.000 -0.110 0.000 1.212 676 F CB -0.572 38.287 39.000 -0.236 0.000 0.975 676 F HN 0.087 nan 8.300 nan 0.000 0.476 677 Y N 0.388 120.741 120.300 0.089 0.000 2.421 677 Y HA -0.220 4.330 4.550 0.001 0.000 0.292 677 Y C 2.302 178.139 175.900 -0.106 0.000 1.136 677 Y CA 0.902 58.988 58.100 -0.023 0.000 1.255 677 Y CB -0.375 38.149 38.460 0.106 0.000 0.991 677 Y HN 0.183 nan 8.280 nan 0.000 0.552 678 N N 0.069 118.810 118.700 0.067 0.000 2.173 678 N HA -0.147 4.593 4.740 0.001 0.000 0.184 678 N C 1.641 177.120 175.510 -0.052 0.000 1.025 678 N CA 1.057 54.112 53.050 0.010 0.000 0.852 678 N CB -0.313 38.187 38.487 0.021 0.000 0.998 678 N HN 0.402 nan 8.380 nan 0.000 0.427 679 E N 0.389 120.533 120.200 -0.093 0.000 2.268 679 E HA -0.082 4.269 4.350 0.001 0.000 0.195 679 E C 1.717 178.215 176.600 -0.171 0.000 0.995 679 E CA 0.245 56.578 56.400 -0.113 0.000 0.836 679 E CB 0.069 29.709 29.700 -0.101 0.000 0.763 679 E HN 0.077 nan 8.360 nan 0.000 0.491 680 L N -0.018 121.034 121.223 -0.285 0.000 2.240 680 L HA -0.045 4.295 4.340 0.001 0.000 0.211 680 L C 1.988 178.765 176.870 -0.155 0.000 1.106 680 L CA 1.509 56.177 54.840 -0.286 0.000 0.793 680 L CB -0.274 41.495 42.059 -0.484 0.000 0.927 680 L HN 0.028 nan 8.230 nan 0.000 0.446 681 T N -0.818 113.674 114.554 -0.104 0.000 2.821 681 T HA -0.119 4.231 4.350 0.001 0.000 0.267 681 T C 1.721 176.382 174.700 -0.064 0.000 1.046 681 T CA 1.097 63.152 62.100 -0.074 0.000 1.139 681 T CB -0.128 68.713 68.868 -0.045 0.000 0.871 681 T HN 0.323 nan 8.240 nan 0.000 0.454 682 E N 0.995 121.163 120.200 -0.054 0.000 2.033 682 E HA -0.132 4.218 4.350 0.001 0.000 0.199 682 E C 2.271 178.861 176.600 -0.017 0.000 1.011 682 E CA 1.105 57.487 56.400 -0.031 0.000 0.815 682 E CB -0.240 29.445 29.700 -0.025 0.000 0.755 682 E HN 0.366 nan 8.360 nan 0.000 0.451 683 I N 0.725 121.284 120.570 -0.018 0.000 2.286 683 I HA -0.237 3.933 4.170 0.001 0.000 0.248 683 I C 2.553 178.678 176.117 0.012 0.000 1.115 683 I CA 0.982 62.307 61.300 0.041 0.000 1.392 683 I CB -1.062 37.000 38.000 0.103 0.000 1.065 683 I HN 0.106 nan 8.210 nan 0.000 0.418 684 L N -0.286 120.863 121.223 -0.123 0.000 2.270 684 L HA -0.058 4.283 4.340 0.001 0.000 0.210 684 L C 2.545 179.390 176.870 -0.042 0.000 1.104 684 L CA 0.255 54.970 54.840 -0.209 0.000 0.804 684 L CB -0.217 41.642 42.059 -0.334 0.000 0.937 684 L HN -0.010 nan 8.230 nan 0.000 0.450 685 V N -0.209 119.687 119.914 -0.029 0.000 2.358 685 V HA -0.253 3.868 4.120 0.001 0.000 0.246 685 V C 2.603 178.702 176.094 0.009 0.000 1.047 685 V CA 1.617 63.909 62.300 -0.014 0.000 1.035 685 V CB -0.543 31.268 31.823 -0.020 0.000 0.658 685 V HN 0.408 nan 8.190 nan 0.000 0.452 686 R N -1.018 119.505 120.500 0.037 0.000 2.091 686 R HA -0.190 4.150 4.340 0.001 0.000 0.238 686 R C 2.253 178.605 176.300 0.087 0.000 1.136 686 R CA 2.035 58.171 56.100 0.059 0.000 0.959 686 R CB -0.534 29.816 30.300 0.084 0.000 0.856 686 R HN 0.534 nan 8.270 nan 0.000 0.437 687 F N 1.863 121.802 119.950 -0.019 0.000 2.171 687 F HA -0.216 4.311 4.527 0.001 0.000 0.300 687 F C 2.555 178.334 175.800 -0.035 0.000 1.090 687 F CA 1.679 59.677 58.000 -0.003 0.000 1.293 687 F CB -0.199 38.775 39.000 -0.044 0.000 1.013 687 F HN -0.013 nan 8.300 nan 0.000 0.486 688 Q N 0.212 119.973 119.800 -0.065 0.000 2.167 688 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 688 Q C 1.710 177.614 176.000 -0.159 0.000 0.970 688 Q CA 2.110 57.829 55.803 -0.141 0.000 0.855 688 Q CB -0.266 28.439 28.738 -0.056 0.000 0.911 688 Q HN 0.610 nan 8.270 nan 0.000 0.438 689 N N -0.335 118.302 118.700 -0.105 0.000 2.250 689 N HA -0.097 4.643 4.740 0.001 0.000 0.181 689 N C 1.527 176.980 175.510 -0.096 0.000 1.017 689 N CA 0.776 53.776 53.050 -0.082 0.000 0.866 689 N CB 0.019 38.481 38.487 -0.042 0.000 0.985 689 N HN 0.081 nan 8.380 nan 0.000 0.429 690 K N 0.610 120.936 120.400 -0.123 0.000 2.147 690 K HA -0.063 4.258 4.320 0.001 0.000 0.205 690 K C 1.649 178.133 176.600 -0.192 0.000 1.049 690 K CA 0.941 57.155 56.287 -0.121 0.000 0.936 690 K CB 0.002 32.444 32.500 -0.097 0.000 0.722 690 K HN 0.265 nan 8.250 nan 0.000 0.446 691 C N -0.016 119.082 119.300 -0.336 0.000 2.500 691 C HA -0.040 4.421 4.460 0.001 0.000 0.279 691 C C 2.859 177.739 174.990 -0.182 0.000 1.288 691 C CA 1.074 59.889 59.018 -0.339 0.000 1.710 691 C CB -0.689 26.764 27.740 -0.478 0.000 2.052 691 C HN 0.616 nan 8.230 nan 0.000 0.488 692 S N 1.106 116.726 115.700 -0.133 0.000 2.423 692 S HA -0.155 4.316 4.470 0.001 0.000 0.231 692 S C 1.147 175.762 174.600 0.026 0.000 1.014 692 S CA 1.646 59.811 58.200 -0.057 0.000 0.965 692 S CB -0.454 62.704 63.200 -0.070 0.000 0.785 692 S HN 0.535 nan 8.310 nan 0.000 0.495 693 D N 1.737 122.150 120.400 0.022 0.000 2.123 693 D HA 0.063 4.703 4.640 0.001 0.000 0.200 693 D C 1.806 178.187 176.300 0.135 0.000 0.976 693 D CA 0.701 54.763 54.000 0.104 0.000 0.831 693 D CB -0.181 40.656 40.800 0.062 0.000 0.974 693 D HN 0.340 nan 8.370 nan 0.000 0.469 694 I N 0.566 121.184 120.570 0.081 0.000 2.761 694 I HA -0.087 4.083 4.170 0.001 0.000 0.261 694 I C 2.155 178.383 176.117 0.184 0.000 1.198 694 I CA 0.504 61.880 61.300 0.127 0.000 1.482 694 I CB -0.758 37.325 38.000 0.138 0.000 1.100 694 I HN -0.105 nan 8.210 nan 0.000 0.445 695 V N 0.013 120.009 119.914 0.138 0.000 3.052 695 V HA -0.145 3.975 4.120 0.001 0.000 0.254 695 V C 2.114 178.328 176.094 0.199 0.000 1.100 695 V CA 0.852 63.253 62.300 0.168 0.000 1.112 695 V CB -0.487 31.380 31.823 0.075 0.000 0.738 695 V HN 0.267 nan 8.190 nan 0.000 0.469 696 F N 1.476 121.451 119.950 0.041 0.000 2.335 696 F HA 0.173 4.700 4.527 0.001 0.000 0.296 696 F C 2.125 177.950 175.800 0.043 0.000 1.091 696 F CA 0.982 59.003 58.000 0.035 0.000 1.399 696 F CB -0.264 38.745 39.000 0.015 0.000 1.067 696 F HN 0.068 nan 8.300 nan 0.000 0.520 697 A N 0.885 123.661 122.820 -0.075 0.000 1.898 697 A HA 0.064 4.385 4.320 0.001 0.000 0.214 697 A C 1.714 179.235 177.584 -0.106 0.000 1.183 697 A CA 0.285 52.225 52.037 -0.161 0.000 0.622 697 A CB -0.383 18.595 19.000 -0.037 0.000 0.824 697 A HN 0.136 nan 8.150 nan 0.000 0.444 698 R N 0.000 120.499 120.500 -0.002 0.000 2.786 698 R HA 0.000 4.340 4.340 0.001 0.000 0.208 698 R CA 0.000 56.117 56.100 0.028 0.000 0.921 698 R CB 0.000 30.361 30.300 0.102 0.000 0.687 698 R HN 0.000 nan 8.270 nan 0.000 0.535