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 2bix_1_B DATA FIRST_RESID 12 DATA SEQUENCE QRSYSPQDWL RGYQSQPQEW DYWVEDVEGS IPPDLQGTLY RNGPGLLEIG DATA SEQUENCE DRPLKHPFDG DGMVTAFKFP GDGRVHFQSK FVRTQGYVEE QKAGKMIYRG DATA SEQUENCE VFGSQPAGGW LKTIFDLRLK NIANTNITYW GDRLLALWEG GQPHRLEPSN DATA SEQUENCE LATIGLDDLG GILAEGQPLS AHPRIDPAST FDGGQPCYVT FSIKSSLSST DATA SEQUENCE LTLLELDPQG KLLRQKTETF PGFAFIHDFA ITPHYAIFLQ NNVTLNGLPY DATA SEQUENCE LFGLRGAGEC VQFHPDKPAQ IILVPRDGGE IKRIPVQAGF VFHHANAFEE DATA SEQUENCE NGKIILDSIC YNSLPQVDTD GDFRSTNFDN LDPGQLWRFT IDPAAATVEK DATA SEQUENCE QLMVSRCCEF PVVHPQQVGR PYRYVYMGAA HHSTGNAPLQ AILKVDLESG DATA SEQUENCE TETLRSFAPH GFAGEPIFVP RPGGVAEDDG WLLCLIYKAD LHRSELVILD DATA SEQUENCE AQDITAPAIA TLKLKHHIPY PLHGSWAQT 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.120 176.000 0.201 0.000 1.003 12 Q CA 0.000 55.851 55.803 0.080 0.000 1.022 12 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 13 R N 1.950 122.479 120.500 0.048 0.000 2.543 13 R HA 0.263 4.603 4.340 -0.000 0.000 0.277 13 R C 0.498 176.750 176.300 -0.080 0.000 1.074 13 R CA 0.722 56.782 56.100 -0.067 0.000 1.076 13 R CB 0.854 30.885 30.300 -0.448 0.000 0.993 13 R HN 0.611 nan 8.270 nan 0.000 0.459 14 S N 2.108 117.753 115.700 -0.091 0.000 2.710 14 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 14 S C -0.206 174.377 174.600 -0.028 0.000 0.948 14 S CA -0.340 57.796 58.200 -0.107 0.000 0.949 14 S CB -0.353 62.732 63.200 -0.192 0.000 0.778 14 S HN 0.630 nan 8.310 nan 0.000 0.498 15 Y N -1.425 118.811 120.300 -0.107 0.000 2.689 15 Y HA 0.764 5.314 4.550 -0.000 0.000 0.333 15 Y C -0.940 175.013 175.900 0.088 0.000 1.208 15 Y CA -1.105 56.998 58.100 0.006 0.000 1.055 15 Y CB 0.682 39.211 38.460 0.114 0.000 1.304 15 Y HN 0.088 nan 8.280 nan 0.000 0.455 16 S N -0.132 115.712 115.700 0.240 0.000 2.500 16 S HA 0.551 5.020 4.470 -0.000 0.000 0.301 16 S C -2.684 172.158 174.600 0.404 0.000 1.092 16 S CA -1.665 56.623 58.200 0.147 0.000 1.030 16 S CB 2.356 65.645 63.200 0.148 0.000 1.031 16 S HN 0.501 nan 8.310 nan 0.000 0.483 17 P HA -0.186 nan 4.420 nan 0.000 0.216 17 P C 1.516 179.073 177.300 0.429 0.000 1.153 17 P CA 1.418 64.802 63.100 0.473 0.000 0.858 17 P CB 0.029 31.924 31.700 0.326 0.000 0.789 18 Q N -0.044 119.923 119.800 0.277 0.000 2.045 18 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 18 Q C 1.746 177.874 176.000 0.215 0.000 0.991 18 Q CA 1.767 57.691 55.803 0.201 0.000 0.851 18 Q CB -1.781 27.041 28.738 0.140 0.000 0.911 18 Q HN 0.311 nan 8.270 nan 0.000 0.418 19 D N -0.072 120.504 120.400 0.293 0.000 2.097 19 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 19 D C 1.521 177.939 176.300 0.197 0.000 0.989 19 D CA 1.007 55.209 54.000 0.336 0.000 0.827 19 D CB -0.514 40.615 40.800 0.548 0.000 0.966 19 D HN 0.385 nan 8.370 nan 0.000 0.456 20 W N 1.495 122.760 121.300 -0.058 0.000 2.317 20 W HA -0.161 4.499 4.660 -0.000 0.000 0.318 20 W C 1.886 178.385 176.519 -0.033 0.000 1.227 20 W CA 1.315 58.405 57.345 -0.426 0.000 1.269 20 W CB -0.663 28.734 29.460 -0.105 0.000 1.155 20 W HN -0.047 nan 8.180 nan 0.000 0.484 21 L N 0.517 121.690 121.223 -0.084 0.000 2.191 21 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 21 L C 2.718 179.482 176.870 -0.176 0.000 1.103 21 L CA 1.704 56.419 54.840 -0.207 0.000 0.769 21 L CB -0.819 41.250 42.059 0.016 0.000 0.908 21 L HN 0.065 nan 8.230 nan 0.000 0.438 22 R N 0.207 120.632 120.500 -0.125 0.000 2.120 22 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 22 R C 1.965 178.016 176.300 -0.415 0.000 1.123 22 R CA 1.300 57.302 56.100 -0.163 0.000 0.975 22 R CB -0.269 30.031 30.300 -0.001 0.000 0.866 22 R HN 0.350 nan 8.270 nan 0.000 0.446 23 G N -1.540 106.758 108.800 -0.837 0.000 2.848 23 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.208 23 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.208 23 G C 0.264 174.292 174.900 -1.453 0.000 1.152 23 G CA 0.004 43.956 45.100 -1.913 0.000 0.789 23 G HN 0.297 nan 8.290 nan 0.000 0.531 24 Y N 0.601 120.519 120.300 -0.637 0.000 2.555 24 Y HA 0.309 4.859 4.550 -0.000 0.000 0.259 24 Y C 1.325 177.172 175.900 -0.088 0.000 1.179 24 Y CA -1.053 56.881 58.100 -0.276 0.000 1.230 24 Y CB 0.145 38.546 38.460 -0.098 0.000 1.146 24 Y HN 0.173 nan 8.280 nan 0.000 0.526 25 Q N 0.311 120.124 119.800 0.022 0.000 2.327 25 Q HA 0.224 4.564 4.340 -0.000 0.000 0.254 25 Q C 0.340 176.514 176.000 0.291 0.000 0.952 25 Q CA -0.189 55.692 55.803 0.130 0.000 0.884 25 Q CB 1.075 29.849 28.738 0.060 0.000 1.224 25 Q HN 0.182 nan 8.270 nan 0.000 0.422 26 S N 1.987 117.838 115.700 0.252 0.000 2.576 26 S HA 0.006 4.476 4.470 -0.000 0.000 0.272 26 S C -0.007 174.763 174.600 0.284 0.000 1.352 26 S CA -0.336 58.019 58.200 0.258 0.000 1.021 26 S CB 0.583 63.921 63.200 0.229 0.000 0.887 26 S HN 0.450 nan 8.310 nan 0.000 0.542 27 Q N 1.488 121.419 119.800 0.219 0.000 2.700 27 Q HA 0.363 4.702 4.340 -0.000 0.000 0.249 27 Q C -2.296 173.907 176.000 0.338 0.000 1.033 27 Q CA -2.336 53.575 55.803 0.179 0.000 0.804 27 Q CB 0.871 29.575 28.738 -0.058 0.000 1.164 27 Q HN 0.249 nan 8.270 nan 0.000 0.500 28 P HA -0.062 nan 4.420 nan 0.000 0.233 28 P C -0.227 177.224 177.300 0.252 0.000 1.167 28 P CA 0.416 63.690 63.100 0.290 0.000 0.770 28 P CB 0.392 32.182 31.700 0.152 0.000 0.837 29 Q N 0.981 120.903 119.800 0.202 0.000 2.243 29 Q HA 0.195 4.534 4.340 -0.000 0.000 0.252 29 Q C -0.448 175.490 176.000 -0.103 0.000 0.909 29 Q CA -0.202 55.564 55.803 -0.061 0.000 0.922 29 Q CB 0.569 29.130 28.738 -0.294 0.000 1.215 29 Q HN 0.105 nan 8.270 nan 0.000 0.427 30 E N 3.201 123.272 120.200 -0.216 0.000 2.216 30 E HA 0.302 4.652 4.350 -0.000 0.000 0.279 30 E C -1.104 175.289 176.600 -0.346 0.000 0.997 30 E CA -0.331 55.994 56.400 -0.124 0.000 0.817 30 E CB 0.887 30.581 29.700 -0.010 0.000 1.096 30 E HN 0.493 nan 8.360 nan 0.000 0.393 31 W N 1.311 122.574 121.300 -0.063 0.000 2.689 31 W HA 0.371 5.031 4.660 -0.000 0.000 0.340 31 W C -0.450 176.040 176.519 -0.048 0.000 1.060 31 W CA -0.503 56.872 57.345 0.049 0.000 1.218 31 W CB 1.409 31.019 29.460 0.250 0.000 1.410 31 W HN 0.280 nan 8.180 nan 0.000 0.528 32 D N 2.118 122.704 120.400 0.311 0.000 2.478 32 D HA 0.336 4.976 4.640 -0.000 0.000 0.240 32 D C -1.579 174.962 176.300 0.402 0.000 1.364 32 D CA -0.347 53.740 54.000 0.146 0.000 0.987 32 D CB 0.805 41.673 40.800 0.113 0.000 1.328 32 D HN 0.338 nan 8.370 nan 0.000 0.584 33 Y N -0.069 120.367 120.300 0.227 0.000 2.638 33 Y HA 0.538 5.088 4.550 -0.000 0.000 0.334 33 Y C -1.951 174.093 175.900 0.241 0.000 1.182 33 Y CA -1.596 56.670 58.100 0.277 0.000 1.102 33 Y CB 0.328 38.957 38.460 0.281 0.000 1.343 33 Y HN 0.081 nan 8.280 nan 0.000 0.463 34 W N 3.169 124.741 121.300 0.452 0.000 2.316 34 W HA 0.526 5.186 4.660 -0.000 0.000 0.311 34 W C -0.037 176.680 176.519 0.329 0.000 1.217 34 W CA -0.901 56.614 57.345 0.284 0.000 1.199 34 W CB 1.701 31.233 29.460 0.119 0.000 1.202 34 W HN 0.576 nan 8.180 nan 0.000 0.528 35 V N 5.523 125.661 119.914 0.373 0.000 2.421 35 V HA 0.048 4.168 4.120 -0.000 0.000 0.271 35 V C 0.880 177.125 176.094 0.251 0.000 1.031 35 V CA 0.250 62.747 62.300 0.328 0.000 1.032 35 V CB 1.034 32.972 31.823 0.191 0.000 1.009 35 V HN 0.663 nan 8.190 nan 0.000 0.477 36 E N 3.513 123.837 120.200 0.208 0.000 2.086 36 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 36 E C 0.563 177.213 176.600 0.084 0.000 0.975 36 E CA 0.679 57.158 56.400 0.133 0.000 0.813 36 E CB -0.020 29.740 29.700 0.100 0.000 0.768 36 E HN 0.911 nan 8.360 nan 0.000 0.457 37 D N 1.191 121.629 120.400 0.063 0.000 2.374 37 D HA 0.124 4.764 4.640 -0.000 0.000 0.240 37 D C -0.933 175.389 176.300 0.036 0.000 1.229 37 D CA -0.195 53.824 54.000 0.032 0.000 0.895 37 D CB 0.356 41.157 40.800 0.002 0.000 1.046 37 D HN -0.174 nan 8.370 nan 0.000 0.498 38 V N 1.990 121.927 119.914 0.038 0.000 2.668 38 V HA 0.500 4.620 4.120 -0.000 0.000 0.304 38 V C -0.744 175.365 176.094 0.024 0.000 1.071 38 V CA -0.768 61.554 62.300 0.037 0.000 0.894 38 V CB 1.821 33.681 31.823 0.061 0.000 1.008 38 V HN 0.330 nan 8.190 nan 0.000 0.425 39 E N 4.226 124.434 120.200 0.014 0.000 2.277 39 E HA 0.697 5.047 4.350 -0.000 0.000 0.274 39 E C 0.631 177.236 176.600 0.009 0.000 1.022 39 E CA 0.258 56.664 56.400 0.010 0.000 0.853 39 E CB 1.681 31.385 29.700 0.007 0.000 1.086 39 E HN 1.616 nan 8.360 nan 0.000 0.397 40 G N 1.994 110.799 108.800 0.008 0.000 2.593 40 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.237 40 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.237 40 G C -0.716 174.187 174.900 0.006 0.000 1.312 40 G CA -0.361 44.742 45.100 0.005 0.000 0.896 40 G HN 0.548 nan 8.290 nan 0.000 0.574 41 S N -0.432 115.266 115.700 -0.002 0.000 2.594 41 S HA 0.647 5.117 4.470 -0.000 0.000 0.296 41 S C 0.041 174.624 174.600 -0.028 0.000 1.124 41 S CA -0.628 57.571 58.200 -0.003 0.000 1.011 41 S CB 1.759 64.960 63.200 0.001 0.000 1.016 41 S HN 0.750 nan 8.310 nan 0.000 0.485 42 I N 3.634 124.195 120.570 -0.015 0.000 2.421 42 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 42 I C -2.257 173.796 176.117 -0.107 0.000 1.089 42 I CA -2.000 59.267 61.300 -0.055 0.000 1.354 42 I CB 0.210 38.254 38.000 0.073 0.000 1.413 42 I HN 0.291 nan 8.210 nan 0.000 0.513 43 P HA 0.002 nan 4.420 nan 0.000 0.260 43 P C -2.109 175.082 177.300 -0.183 0.000 1.172 43 P CA -0.718 62.248 63.100 -0.223 0.000 0.760 43 P CB 0.070 31.480 31.700 -0.484 0.000 0.773 44 P HA -0.104 nan 4.420 nan 0.000 0.222 44 P C 0.674 177.980 177.300 0.011 0.000 1.153 44 P CA 1.202 64.301 63.100 -0.003 0.000 0.798 44 P CB -0.043 31.673 31.700 0.026 0.000 0.796 45 D N -0.792 119.631 120.400 0.037 0.000 2.363 45 D HA -0.035 4.605 4.640 -0.000 0.000 0.226 45 D C 0.471 176.842 176.300 0.119 0.000 1.020 45 D CA 0.130 54.206 54.000 0.127 0.000 0.892 45 D CB -0.595 40.340 40.800 0.226 0.000 0.900 45 D HN 0.176 nan 8.370 nan 0.000 0.531 46 L N 1.453 122.558 121.223 -0.197 0.000 2.272 46 L HA 0.263 4.602 4.340 -0.000 0.000 0.284 46 L C -0.944 175.894 176.870 -0.054 0.000 1.045 46 L CA -0.179 54.404 54.840 -0.428 0.000 0.842 46 L CB 0.647 41.922 42.059 -1.308 0.000 1.224 46 L HN -0.107 nan 8.230 nan 0.000 0.430 47 Q N 4.281 124.202 119.800 0.201 0.000 2.323 47 Q HA 0.900 5.240 4.340 -0.000 0.000 0.271 47 Q C -0.313 175.810 176.000 0.205 0.000 1.048 47 Q CA -0.804 55.144 55.803 0.242 0.000 0.792 47 Q CB 2.476 31.297 28.738 0.139 0.000 1.280 47 Q HN 0.847 nan 8.270 nan 0.000 0.441 48 G N 0.845 109.682 108.800 0.061 0.000 2.369 48 G HA2 0.137 4.097 3.960 -0.000 0.000 0.293 48 G HA3 0.137 4.097 3.960 -0.000 0.000 0.293 48 G C -1.319 173.310 174.900 -0.451 0.000 1.301 48 G CA -0.853 43.950 45.100 -0.495 0.000 0.913 48 G HN 0.425 nan 8.290 nan 0.000 0.540 49 T N 0.126 114.259 114.554 -0.702 0.000 2.855 49 T HA 0.615 4.965 4.350 -0.000 0.000 0.281 49 T C -0.526 173.932 174.700 -0.403 0.000 1.007 49 T CA -0.308 61.505 62.100 -0.478 0.000 1.009 49 T CB 1.698 70.114 68.868 -0.754 0.000 0.983 49 T HN 0.991 nan 8.240 nan 0.000 0.455 50 L N 3.867 125.125 121.223 0.058 0.000 2.294 50 L HA 0.583 4.922 4.340 -0.000 0.000 0.283 50 L C -1.636 175.251 176.870 0.029 0.000 1.015 50 L CA -0.469 54.540 54.840 0.282 0.000 0.831 50 L CB 0.190 42.554 42.059 0.509 0.000 1.217 50 L HN 0.565 nan 8.230 nan 0.000 0.420 51 Y N 4.346 124.766 120.300 0.199 0.000 2.387 51 Y HA 0.729 5.279 4.550 -0.000 0.000 0.330 51 Y C 0.118 176.099 175.900 0.136 0.000 1.133 51 Y CA -0.613 57.561 58.100 0.124 0.000 1.152 51 Y CB 1.517 40.026 38.460 0.081 0.000 1.215 51 Y HN 0.553 nan 8.280 nan 0.000 0.466 52 R N 2.220 122.884 120.500 0.274 0.000 2.535 52 R HA 0.367 4.707 4.340 -0.000 0.000 0.274 52 R C -1.880 174.494 176.300 0.123 0.000 1.090 52 R CA -0.654 55.558 56.100 0.186 0.000 0.930 52 R CB 1.251 31.648 30.300 0.161 0.000 1.223 52 R HN 0.752 nan 8.270 nan 0.000 0.441 53 N N 1.165 119.933 118.700 0.113 0.000 2.430 53 N HA 0.729 5.469 4.740 -0.000 0.000 0.298 53 N C -1.067 174.498 175.510 0.091 0.000 1.130 53 N CA 0.036 53.133 53.050 0.078 0.000 0.894 53 N CB 2.138 40.681 38.487 0.093 0.000 1.209 53 N HN 0.812 nan 8.380 nan 0.000 0.503 54 G N 0.750 109.591 108.800 0.069 0.000 2.495 54 G HA2 0.368 4.328 3.960 -0.000 0.000 0.294 54 G HA3 0.368 4.328 3.960 -0.000 0.000 0.294 54 G C -3.233 171.723 174.900 0.093 0.000 1.397 54 G CA -0.705 44.462 45.100 0.112 0.000 0.790 54 G HN 0.375 nan 8.290 nan 0.000 0.486 55 P HA 0.297 nan 4.420 nan 0.000 0.286 55 P C 0.398 177.769 177.300 0.118 0.000 1.269 55 P CA 0.059 63.254 63.100 0.158 0.000 0.787 55 P CB 1.903 33.737 31.700 0.222 0.000 0.920 56 G N 2.539 111.414 108.800 0.125 0.000 2.781 56 G HA2 0.149 4.109 3.960 -0.000 0.000 0.208 56 G HA3 0.149 4.109 3.960 -0.000 0.000 0.208 56 G C -0.185 174.924 174.900 0.348 0.000 1.099 56 G CA 0.273 45.435 45.100 0.104 0.000 0.776 56 G HN 0.333 nan 8.290 nan 0.000 0.532 57 L N 1.214 122.673 121.223 0.393 0.000 2.305 57 L HA 0.578 4.918 4.340 -0.000 0.000 0.284 57 L C 0.263 177.262 176.870 0.215 0.000 1.013 57 L CA -0.627 54.392 54.840 0.298 0.000 0.819 57 L CB 1.760 43.966 42.059 0.244 0.000 1.227 57 L HN -0.051 nan 8.230 nan 0.000 0.417 58 L N 3.743 125.083 121.223 0.194 0.000 2.667 58 L HA 0.290 4.630 4.340 -0.000 0.000 0.232 58 L C 0.249 177.215 176.870 0.161 0.000 1.138 58 L CA 0.100 55.045 54.840 0.175 0.000 0.921 58 L CB -0.103 42.073 42.059 0.195 0.000 1.180 58 L HN 0.623 nan 8.230 nan 0.000 0.487 59 E N 0.044 120.328 120.200 0.139 0.000 2.388 59 E HA 0.394 4.744 4.350 -0.000 0.000 0.280 59 E C -1.196 175.459 176.600 0.092 0.000 1.019 59 E CA -0.602 55.864 56.400 0.110 0.000 0.806 59 E CB 1.670 31.424 29.700 0.091 0.000 1.246 59 E HN -0.033 nan 8.360 nan 0.000 0.443 60 I N 1.928 122.543 120.570 0.075 0.000 2.439 60 I HA 0.514 4.684 4.170 -0.000 0.000 0.285 60 I C 0.917 177.054 176.117 0.034 0.000 1.021 60 I CA 0.231 61.561 61.300 0.051 0.000 1.091 60 I CB 1.262 39.297 38.000 0.058 0.000 1.242 60 I HN 0.998 nan 8.210 nan 0.000 0.439 61 G N 5.921 114.732 108.800 0.019 0.000 2.565 61 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.295 61 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.295 61 G C 0.316 175.229 174.900 0.022 0.000 1.165 61 G CA 0.601 45.709 45.100 0.012 0.000 0.977 61 G HN 0.767 nan 8.290 nan 0.000 0.546 62 D N 0.936 121.349 120.400 0.021 0.000 2.431 62 D HA 0.170 4.810 4.640 -0.000 0.000 0.213 62 D C 0.809 177.126 176.300 0.030 0.000 1.130 62 D CA -0.027 53.987 54.000 0.023 0.000 0.834 62 D CB 0.024 40.834 40.800 0.016 0.000 0.985 62 D HN 0.596 nan 8.370 nan 0.000 0.504 63 R N 1.461 121.984 120.500 0.038 0.000 2.229 63 R HA 0.443 4.783 4.340 -0.000 0.000 0.332 63 R C -2.760 173.579 176.300 0.066 0.000 0.989 63 R CA -1.622 54.507 56.100 0.048 0.000 0.842 63 R CB 1.248 31.578 30.300 0.049 0.000 1.119 63 R HN -0.002 nan 8.270 nan 0.000 0.456 64 P HA 0.171 nan 4.420 nan 0.000 0.282 64 P C 0.003 177.377 177.300 0.124 0.000 1.249 64 P CA -0.423 62.731 63.100 0.089 0.000 0.806 64 P CB 0.766 32.498 31.700 0.053 0.000 0.984 65 L N 2.700 124.026 121.223 0.171 0.000 2.452 65 L HA 0.139 4.479 4.340 -0.000 0.000 0.267 65 L C 1.898 178.917 176.870 0.249 0.000 1.188 65 L CA 0.055 55.011 54.840 0.194 0.000 0.821 65 L CB 0.375 42.544 42.059 0.183 0.000 1.102 65 L HN 0.538 nan 8.230 nan 0.000 0.470 66 K N 0.550 121.090 120.400 0.234 0.000 2.155 66 K HA -0.074 4.245 4.320 -0.000 0.000 0.203 66 K C 0.069 176.889 176.600 0.368 0.000 1.052 66 K CA 1.000 57.441 56.287 0.256 0.000 0.948 66 K CB 0.242 32.869 32.500 0.211 0.000 0.728 66 K HN 0.594 nan 8.250 nan 0.000 0.448 67 H N -1.501 117.644 119.070 0.124 0.000 2.894 67 H HA 0.166 4.722 4.556 -0.000 0.000 0.367 67 H C -2.251 172.853 175.328 -0.374 0.000 1.144 67 H CA -1.672 54.258 56.048 -0.197 0.000 1.180 67 H CB 2.369 32.021 29.762 -0.184 0.000 1.758 67 H HN -0.199 nan 8.280 nan 0.000 0.541 68 P HA -0.131 nan 4.420 nan 0.000 0.230 68 P C 0.920 178.349 177.300 0.215 0.000 1.158 68 P CA 0.808 63.653 63.100 -0.426 0.000 0.769 68 P CB 0.147 31.381 31.700 -0.778 0.000 0.807 69 F N 0.911 121.046 119.950 0.309 0.000 2.502 69 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 69 F C 1.692 177.701 175.800 0.347 0.000 1.111 69 F CA 0.331 58.452 58.000 0.201 0.000 1.445 69 F CB -1.263 37.525 39.000 -0.354 0.000 1.081 69 F HN -0.042 nan 8.300 nan 0.000 0.558 70 D N -0.294 120.416 120.400 0.516 0.000 2.363 70 D HA 0.039 4.679 4.640 -0.000 0.000 0.220 70 D C 1.473 177.939 176.300 0.276 0.000 0.994 70 D CA 0.262 54.517 54.000 0.426 0.000 0.890 70 D CB -0.209 40.804 40.800 0.355 0.000 0.906 70 D HN 0.103 nan 8.370 nan 0.000 0.530 71 G N 0.485 109.438 108.800 0.255 0.000 2.441 71 G HA2 0.014 3.974 3.960 -0.000 0.000 0.243 71 G HA3 0.014 3.974 3.960 -0.000 0.000 0.243 71 G C -0.025 174.966 174.900 0.153 0.000 1.281 71 G CA -0.429 44.787 45.100 0.194 0.000 0.854 71 G HN -0.063 nan 8.290 nan 0.000 0.560 72 D N 0.845 121.335 120.400 0.151 0.000 2.434 72 D HA 0.186 4.826 4.640 -0.000 0.000 0.252 72 D C 1.167 177.524 176.300 0.095 0.000 1.185 72 D CA 0.525 54.587 54.000 0.104 0.000 0.886 72 D CB 1.056 41.958 40.800 0.170 0.000 1.148 72 D HN 0.437 nan 8.370 nan 0.000 0.483 73 G N 2.631 111.415 108.800 -0.027 0.000 2.305 73 G HA2 0.196 4.156 3.960 -0.000 0.000 0.243 73 G HA3 0.196 4.156 3.960 -0.000 0.000 0.243 73 G C -0.017 174.797 174.900 -0.143 0.000 1.288 73 G CA -0.261 44.803 45.100 -0.060 0.000 0.901 73 G HN 0.478 nan 8.290 nan 0.000 0.516 74 M N 3.928 123.393 119.600 -0.224 0.000 2.151 74 M HA 0.478 4.958 4.480 -0.000 0.000 0.290 74 M C -1.231 174.912 176.300 -0.261 0.000 0.965 74 M CA -0.650 54.367 55.300 -0.472 0.000 0.930 74 M CB 1.878 34.004 32.600 -0.791 0.000 1.560 74 M HN 0.223 nan 8.290 nan 0.000 0.438 75 V N 3.464 123.240 119.914 -0.228 0.000 2.617 75 V HA 0.708 4.828 4.120 -0.000 0.000 0.298 75 V C 0.231 176.233 176.094 -0.154 0.000 1.048 75 V CA -0.370 61.855 62.300 -0.124 0.000 0.964 75 V CB 1.805 33.578 31.823 -0.085 0.000 1.004 75 V HN 0.914 nan 8.190 nan 0.000 0.466 76 T N 0.934 115.436 114.554 -0.086 0.000 2.900 76 T HA 0.874 5.224 4.350 -0.000 0.000 0.295 76 T C -0.717 173.897 174.700 -0.143 0.000 1.044 76 T CA -0.539 61.434 62.100 -0.212 0.000 0.995 76 T CB 2.016 70.849 68.868 -0.058 0.000 1.072 76 T HN 1.170 nan 8.240 nan 0.000 0.473 77 A N 1.992 124.544 122.820 -0.447 0.000 2.393 77 A HA 0.783 5.102 4.320 -0.000 0.000 0.306 77 A C -1.418 175.850 177.584 -0.526 0.000 1.050 77 A CA -0.862 50.958 52.037 -0.361 0.000 0.724 77 A CB 1.025 19.828 19.000 -0.329 0.000 1.248 77 A HN 0.779 nan 8.150 nan 0.000 0.424 78 F N 2.325 122.104 119.950 -0.285 0.000 2.382 78 F HA 0.383 4.910 4.527 -0.000 0.000 0.361 78 F C 0.644 176.202 175.800 -0.403 0.000 1.109 78 F CA -0.270 57.553 58.000 -0.294 0.000 1.031 78 F CB 1.807 40.775 39.000 -0.053 0.000 1.234 78 F HN 0.399 nan 8.300 nan 0.000 0.445 79 K N 4.740 124.885 120.400 -0.425 0.000 2.234 79 K HA 0.372 4.692 4.320 -0.000 0.000 0.277 79 K C -1.424 174.925 176.600 -0.417 0.000 1.038 79 K CA -0.448 55.639 56.287 -0.333 0.000 0.888 79 K CB 0.808 33.144 32.500 -0.275 0.000 1.091 79 K HN 0.414 nan 8.250 nan 0.000 0.467 80 F N 6.244 126.238 119.950 0.073 0.000 2.332 80 F HA 0.266 4.793 4.527 -0.000 0.000 0.368 80 F C -1.266 174.588 175.800 0.090 0.000 1.110 80 F CA -1.999 56.068 58.000 0.111 0.000 1.087 80 F CB 1.317 40.404 39.000 0.144 0.000 1.235 80 F HN 0.443 nan 8.300 nan 0.000 0.470 81 P HA 0.087 nan 4.420 nan 0.000 0.212 81 P C 1.105 178.492 177.300 0.144 0.000 1.179 81 P CA 2.045 65.248 63.100 0.172 0.000 0.898 81 P CB 0.543 32.354 31.700 0.185 0.000 0.775 82 G N -1.458 107.427 108.800 0.142 0.000 3.987 82 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 82 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 82 G C -0.600 174.344 174.900 0.074 0.000 0.871 82 G CA 0.228 45.388 45.100 0.099 0.000 0.881 82 G HN 0.487 nan 8.290 nan 0.000 0.674 83 D N 0.471 120.917 120.400 0.077 0.000 2.517 83 D HA 0.453 5.093 4.640 -0.000 0.000 0.301 83 D C 1.328 177.662 176.300 0.056 0.000 1.202 83 D CA -0.046 53.985 54.000 0.050 0.000 0.910 83 D CB 0.063 40.877 40.800 0.023 0.000 1.021 83 D HN 1.147 nan 8.370 nan 0.000 0.499 84 G N 2.014 110.858 108.800 0.072 0.000 2.225 84 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.272 84 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.272 84 G C 0.390 175.357 174.900 0.112 0.000 0.996 84 G CA 0.507 45.653 45.100 0.076 0.000 0.710 84 G HN 0.572 nan 8.290 nan 0.000 0.522 85 R N -1.283 119.308 120.500 0.151 0.000 2.732 85 R HA 0.739 5.079 4.340 -0.000 0.000 0.278 85 R C -1.007 175.465 176.300 0.286 0.000 0.976 85 R CA -0.617 55.615 56.100 0.220 0.000 0.963 85 R CB 2.542 32.935 30.300 0.155 0.000 1.150 85 R HN 0.292 nan 8.270 nan 0.000 0.478 86 V N 2.432 122.516 119.914 0.284 0.000 2.808 86 V HA 0.300 4.420 4.120 -0.000 0.000 0.308 86 V C -1.315 174.707 176.094 -0.120 0.000 1.099 86 V CA -0.526 61.733 62.300 -0.069 0.000 0.920 86 V CB 1.905 33.501 31.823 -0.379 0.000 1.014 86 V HN 0.807 nan 8.190 nan 0.000 0.425 87 H N 5.674 124.317 119.070 -0.712 0.000 2.457 87 H HA 0.509 5.065 4.556 -0.000 0.000 0.335 87 H C -1.876 172.987 175.328 -0.774 0.000 1.115 87 H CA -0.634 54.739 56.048 -1.125 0.000 1.219 87 H CB 1.706 30.377 29.762 -1.820 0.000 1.471 87 H HN 0.647 nan 8.280 nan 0.000 0.491 88 F N 5.516 124.696 119.950 -1.283 0.000 2.467 88 F HA 0.250 4.777 4.527 -0.000 0.000 0.336 88 F C -1.159 173.901 175.800 -1.233 0.000 1.123 88 F CA -0.470 56.739 58.000 -1.318 0.000 0.964 88 F CB 1.262 39.449 39.000 -1.355 0.000 1.136 88 F HN 0.597 nan 8.300 nan 0.000 0.447 89 Q N 3.847 122.610 119.800 -1.729 0.000 2.372 89 Q HA 0.670 5.010 4.340 -0.000 0.000 0.273 89 Q C -1.683 173.603 176.000 -1.190 0.000 1.078 89 Q CA -1.047 54.023 55.803 -1.222 0.000 0.806 89 Q CB 2.194 30.505 28.738 -0.712 0.000 1.332 89 Q HN 0.648 nan 8.270 nan 0.000 0.435 90 S N 2.067 117.358 115.700 -0.682 0.000 2.571 90 S HA 0.752 5.222 4.470 -0.000 0.000 0.284 90 S C -1.227 173.250 174.600 -0.205 0.000 1.128 90 S CA -0.724 57.230 58.200 -0.410 0.000 0.970 90 S CB 1.605 64.701 63.200 -0.173 0.000 1.039 90 S HN 0.577 nan 8.310 nan 0.000 0.485 91 K N 2.166 122.438 120.400 -0.214 0.000 2.527 91 K HA 0.385 4.705 4.320 -0.000 0.000 0.260 91 K C -1.515 174.954 176.600 -0.218 0.000 0.937 91 K CA -0.476 55.731 56.287 -0.133 0.000 0.826 91 K CB 1.383 33.840 32.500 -0.072 0.000 1.359 91 K HN 0.644 nan 8.250 nan 0.000 0.434 92 F N 1.020 120.877 119.950 -0.155 0.000 2.484 92 F HA 0.073 4.600 4.527 -0.000 0.000 0.360 92 F C 0.954 176.567 175.800 -0.312 0.000 1.101 92 F CA -0.342 57.473 58.000 -0.308 0.000 1.251 92 F CB 0.670 39.344 39.000 -0.543 0.000 1.132 92 F HN 0.048 nan 8.300 nan 0.000 0.570 93 V N 5.525 125.336 119.914 -0.171 0.000 2.485 93 V HA 0.009 4.129 4.120 -0.000 0.000 0.287 93 V C 0.841 176.828 176.094 -0.178 0.000 1.022 93 V CA -0.370 61.827 62.300 -0.172 0.000 1.067 93 V CB 0.081 31.752 31.823 -0.255 0.000 0.967 93 V HN 0.575 nan 8.190 nan 0.000 0.479 94 R N 3.611 124.103 120.500 -0.013 0.000 4.576 94 R HA 0.096 4.436 4.340 -0.000 0.000 0.185 94 R C 0.899 177.284 176.300 0.142 0.000 1.837 94 R CA -0.106 56.082 56.100 0.145 0.000 1.520 94 R CB -0.714 29.681 30.300 0.160 0.000 1.403 94 R HN 0.911 nan 8.270 nan 0.000 0.831 95 T N -2.572 112.012 114.554 0.050 0.000 2.680 95 T HA -0.083 4.266 4.350 -0.000 0.000 0.314 95 T C 1.363 176.132 174.700 0.115 0.000 1.045 95 T CA -0.389 61.747 62.100 0.060 0.000 1.025 95 T CB 0.992 69.771 68.868 -0.148 0.000 1.000 95 T HN 0.222 nan 8.240 nan 0.000 0.535 96 Q N 1.073 120.926 119.800 0.087 0.000 2.020 96 Q HA 0.062 4.402 4.340 -0.000 0.000 0.202 96 Q C 2.474 178.461 176.000 -0.022 0.000 0.982 96 Q CA 2.393 58.214 55.803 0.029 0.000 0.838 96 Q CB -1.241 27.499 28.738 0.003 0.000 0.899 96 Q HN 0.956 nan 8.270 nan 0.000 0.423 97 G N -0.706 108.015 108.800 -0.132 0.000 2.418 97 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 97 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 97 G C 1.322 176.210 174.900 -0.020 0.000 1.158 97 G CA 0.930 45.891 45.100 -0.232 0.000 0.771 97 G HN 0.498 nan 8.290 nan 0.000 0.545 98 Y N 2.031 122.266 120.300 -0.109 0.000 2.097 98 Y HA -0.226 4.324 4.550 -0.000 0.000 0.282 98 Y C 2.906 178.772 175.900 -0.057 0.000 1.152 98 Y CA 2.291 60.343 58.100 -0.080 0.000 1.136 98 Y CB -0.575 37.832 38.460 -0.088 0.000 0.975 98 Y HN 0.135 nan 8.280 nan 0.000 0.498 99 V N -1.159 118.694 119.914 -0.102 0.000 2.490 99 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 99 V C 2.071 178.080 176.094 -0.141 0.000 1.061 99 V CA 2.273 64.468 62.300 -0.174 0.000 1.064 99 V CB -0.852 30.959 31.823 -0.020 0.000 0.670 99 V HN 0.563 nan 8.190 nan 0.000 0.461 100 E N 0.429 120.596 120.200 -0.056 0.000 2.086 100 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 100 E C 2.243 178.834 176.600 -0.013 0.000 0.975 100 E CA 1.087 57.486 56.400 -0.001 0.000 0.813 100 E CB -0.043 29.715 29.700 0.096 0.000 0.768 100 E HN 0.777 nan 8.360 nan 0.000 0.457 101 E N -0.050 120.146 120.200 -0.007 0.000 2.152 101 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 101 E C 2.193 178.723 176.600 -0.117 0.000 0.983 101 E CA 0.609 57.000 56.400 -0.014 0.000 0.818 101 E CB 0.173 29.898 29.700 0.041 0.000 0.758 101 E HN 0.188 nan 8.360 nan 0.000 0.467 102 Q N 0.559 120.209 119.800 -0.251 0.000 2.119 102 Q HA -0.146 4.193 4.340 -0.000 0.000 0.201 102 Q C 1.929 177.809 176.000 -0.199 0.000 0.972 102 Q CA 1.088 56.698 55.803 -0.321 0.000 0.847 102 Q CB -0.183 28.177 28.738 -0.631 0.000 0.903 102 Q HN 0.158 nan 8.270 nan 0.000 0.433 103 K N 0.165 120.471 120.400 -0.155 0.000 2.211 103 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 103 K C 1.755 178.311 176.600 -0.073 0.000 1.050 103 K CA 1.036 57.264 56.287 -0.100 0.000 0.945 103 K CB 0.083 32.539 32.500 -0.074 0.000 0.732 103 K HN 0.116 nan 8.250 nan 0.000 0.451 104 A N -0.148 122.630 122.820 -0.069 0.000 1.956 104 A HA 0.252 4.572 4.320 -0.000 0.000 0.212 104 A C 1.649 179.202 177.584 -0.052 0.000 1.188 104 A CA 0.936 52.943 52.037 -0.051 0.000 0.675 104 A CB -0.250 18.726 19.000 -0.041 0.000 0.845 104 A HN 0.506 nan 8.150 nan 0.000 0.455 105 G N -0.699 108.063 108.800 -0.063 0.000 2.157 105 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.239 105 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.239 105 G C 0.074 174.952 174.900 -0.036 0.000 0.982 105 G CA 0.605 45.673 45.100 -0.054 0.000 0.650 105 G HN 1.121 nan 8.290 nan 0.000 0.527 106 K N -1.112 119.268 120.400 -0.032 0.000 2.512 106 K HA 0.763 5.083 4.320 -0.000 0.000 0.263 106 K C -0.075 176.523 176.600 -0.004 0.000 0.966 106 K CA -1.386 54.891 56.287 -0.017 0.000 0.851 106 K CB 1.514 34.002 32.500 -0.021 0.000 1.395 106 K HN 0.155 nan 8.250 nan 0.000 0.440 107 M N 3.053 122.660 119.600 0.012 0.000 2.246 107 M HA 0.113 4.592 4.480 -0.000 0.000 0.350 107 M C -0.317 175.983 176.300 0.000 0.000 1.406 107 M CA 0.325 55.647 55.300 0.037 0.000 1.089 107 M CB 0.259 32.889 32.600 0.049 0.000 1.782 107 M HN 0.795 nan 8.290 nan 0.000 0.457 108 I N 3.586 124.158 120.570 0.004 0.000 3.673 108 I HA 0.088 4.257 4.170 -0.000 0.000 0.281 108 I C -0.305 175.636 176.117 -0.294 0.000 1.182 108 I CA -0.268 60.912 61.300 -0.201 0.000 1.391 108 I CB 0.177 37.947 38.000 -0.383 0.000 1.383 108 I HN 0.554 nan 8.210 nan 0.000 0.456 109 Y N 1.717 122.036 120.300 0.032 0.000 2.307 109 Y HA 0.398 4.948 4.550 -0.000 0.000 0.324 109 Y C 0.472 176.415 175.900 0.072 0.000 1.238 109 Y CA -0.719 57.411 58.100 0.050 0.000 1.280 109 Y CB 0.469 38.957 38.460 0.047 0.000 1.248 109 Y HN -0.155 nan 8.280 nan 0.000 0.508 110 R N 1.333 121.977 120.500 0.241 0.000 2.265 110 R HA 0.301 4.641 4.340 -0.000 0.000 0.314 110 R C 0.211 176.641 176.300 0.218 0.000 1.053 110 R CA -0.443 55.779 56.100 0.204 0.000 0.931 110 R CB 0.785 31.215 30.300 0.216 0.000 1.024 110 R HN 0.929 nan 8.270 nan 0.000 0.457 111 G N 0.486 109.402 108.800 0.194 0.000 2.539 111 G HA2 0.125 4.085 3.960 -0.000 0.000 0.258 111 G HA3 0.125 4.085 3.960 -0.000 0.000 0.258 111 G C 1.009 175.973 174.900 0.107 0.000 1.202 111 G CA -0.586 44.629 45.100 0.193 0.000 0.851 111 G HN 0.484 nan 8.290 nan 0.000 0.556 112 V N 0.240 120.159 119.914 0.009 0.000 3.141 112 V HA 0.162 4.282 4.120 -0.000 0.000 0.265 112 V C 1.045 176.828 176.094 -0.517 0.000 1.126 112 V CA 1.066 63.179 62.300 -0.311 0.000 1.141 112 V CB -0.742 30.809 31.823 -0.453 0.000 0.743 112 V HN 0.478 nan 8.190 nan 0.000 0.492 113 F N 1.177 121.171 119.950 0.073 0.000 2.668 113 F HA 0.714 5.240 4.527 -0.000 0.000 0.301 113 F C 1.685 177.524 175.800 0.065 0.000 1.106 113 F CA 0.031 58.044 58.000 0.022 0.000 1.289 113 F CB 0.627 39.607 39.000 -0.033 0.000 1.006 113 F HN 0.313 nan 8.300 nan 0.000 0.535 114 G N -0.623 108.289 108.800 0.187 0.000 2.259 114 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 114 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 114 G C 0.387 175.387 174.900 0.167 0.000 1.001 114 G CA -0.091 45.108 45.100 0.166 0.000 0.627 114 G HN 0.179 nan 8.290 nan 0.000 0.501 115 S N 1.638 117.456 115.700 0.196 0.000 2.537 115 S HA 0.493 4.963 4.470 -0.000 0.000 0.286 115 S C 0.184 174.873 174.600 0.148 0.000 1.299 115 S CA 0.885 59.189 58.200 0.173 0.000 1.067 115 S CB 1.080 64.396 63.200 0.193 0.000 0.864 115 S HN 1.031 nan 8.310 nan 0.000 0.494 116 Q N 1.812 121.683 119.800 0.119 0.000 2.391 116 Q HA 0.572 4.912 4.340 -0.000 0.000 0.279 116 Q C -3.250 172.790 176.000 0.068 0.000 1.028 116 Q CA -2.184 53.677 55.803 0.097 0.000 0.836 116 Q CB 1.534 30.329 28.738 0.094 0.000 1.414 116 Q HN 0.275 nan 8.270 nan 0.000 0.397 117 P HA 0.175 nan 4.420 nan 0.000 0.274 117 P C -0.676 176.629 177.300 0.009 0.000 1.260 117 P CA -0.099 63.011 63.100 0.015 0.000 0.793 117 P CB 0.455 32.142 31.700 -0.021 0.000 1.048 118 A N -0.736 122.083 122.820 -0.002 0.000 2.272 118 A HA 0.573 4.893 4.320 -0.000 0.000 0.275 118 A C 1.142 178.710 177.584 -0.026 0.000 1.096 118 A CA 0.300 52.334 52.037 -0.004 0.000 0.822 118 A CB -0.594 18.404 19.000 -0.003 0.000 1.088 118 A HN 0.833 nan 8.150 nan 0.000 0.495 119 G N -1.393 107.391 108.800 -0.026 0.000 2.229 119 G HA2 0.408 4.368 3.960 -0.000 0.000 0.189 119 G HA3 0.408 4.368 3.960 -0.000 0.000 0.189 119 G C 1.509 176.362 174.900 -0.079 0.000 1.000 119 G CA 0.541 45.606 45.100 -0.059 0.000 0.663 119 G HN 2.978 nan 8.290 nan 0.000 0.493 120 G N -0.390 108.398 108.800 -0.020 0.000 2.860 120 G HA2 0.020 3.979 3.960 -0.000 0.000 0.553 120 G HA3 0.020 3.979 3.960 -0.000 0.000 0.553 120 G C 1.054 175.922 174.900 -0.053 0.000 1.439 120 G CA 0.527 45.652 45.100 0.041 0.000 0.879 120 G HN 1.755 nan 8.290 nan 0.000 0.545 121 W N -0.273 121.019 121.300 -0.014 0.000 2.316 121 W HA -0.124 4.535 4.660 -0.000 0.000 0.279 121 W C 1.588 178.084 176.519 -0.039 0.000 1.208 121 W CA 1.497 58.826 57.345 -0.028 0.000 1.182 121 W CB -1.077 28.372 29.460 -0.020 0.000 1.134 121 W HN 0.473 nan 8.180 nan 0.000 0.560 122 L N 1.665 122.157 121.223 -1.219 0.000 2.046 122 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 122 L C 2.571 179.153 176.870 -0.480 0.000 1.077 122 L CA 1.994 56.183 54.840 -1.085 0.000 0.747 122 L CB -0.878 40.628 42.059 -0.922 0.000 0.896 122 L HN -0.266 nan 8.230 nan 0.000 0.432 123 K N -1.075 119.133 120.400 -0.320 0.000 2.116 123 K HA 0.025 4.344 4.320 -0.000 0.000 0.203 123 K C 2.076 178.590 176.600 -0.143 0.000 1.052 123 K CA 1.518 57.692 56.287 -0.189 0.000 0.952 123 K CB -0.952 31.466 32.500 -0.136 0.000 0.729 123 K HN 0.499 nan 8.250 nan 0.000 0.446 124 T N -0.664 113.818 114.554 -0.120 0.000 2.896 124 T HA 0.071 4.421 4.350 -0.000 0.000 0.263 124 T C 1.235 175.860 174.700 -0.126 0.000 1.050 124 T CA -0.202 61.853 62.100 -0.076 0.000 1.140 124 T CB -0.436 68.427 68.868 -0.009 0.000 0.877 124 T HN 0.131 nan 8.240 nan 0.000 0.457 125 I N 2.337 122.812 120.570 -0.159 0.000 2.943 125 I HA -0.012 4.158 4.170 -0.000 0.000 0.296 125 I C -0.071 175.857 176.117 -0.314 0.000 1.220 125 I CA 0.509 61.616 61.300 -0.323 0.000 1.409 125 I CB -0.514 37.348 38.000 -0.231 0.000 1.374 125 I HN 0.511 nan 8.210 nan 0.000 0.545 126 F N 2.510 122.320 119.950 -0.233 0.000 2.748 126 F HA -0.278 4.249 4.527 -0.000 0.000 0.370 126 F C 0.726 176.411 175.800 -0.192 0.000 0.620 126 F CA 0.888 58.737 58.000 -0.252 0.000 1.233 126 F CB -1.466 37.395 39.000 -0.231 0.000 1.708 126 F HN 0.583 nan 8.300 nan 0.000 0.298 127 D N 2.255 122.621 120.400 -0.058 0.000 2.374 127 D HA 0.321 4.961 4.640 -0.000 0.000 0.240 127 D C 0.456 176.733 176.300 -0.039 0.000 1.229 127 D CA 0.148 54.129 54.000 -0.033 0.000 0.895 127 D CB 0.364 41.138 40.800 -0.043 0.000 1.046 127 D HN 0.370 nan 8.370 nan 0.000 0.498 128 L N 3.267 124.499 121.223 0.015 0.000 2.818 128 L HA 0.301 4.641 4.340 -0.000 0.000 0.243 128 L C 0.824 177.807 176.870 0.188 0.000 1.185 128 L CA -0.462 54.429 54.840 0.085 0.000 0.988 128 L CB -0.098 42.000 42.059 0.064 0.000 1.292 128 L HN 0.064 nan 8.230 nan 0.000 0.519 129 R N 1.246 121.855 120.500 0.181 0.000 2.442 129 R HA 0.287 4.626 4.340 -0.000 0.000 0.291 129 R C -0.617 175.865 176.300 0.304 0.000 1.069 129 R CA -0.275 55.971 56.100 0.243 0.000 1.022 129 R CB 0.967 31.447 30.300 0.300 0.000 0.976 129 R HN -0.014 nan 8.270 nan 0.000 0.443 130 L N 3.688 125.056 121.223 0.241 0.000 2.287 130 L HA 0.245 4.585 4.340 -0.000 0.000 0.287 130 L C -0.078 176.821 176.870 0.049 0.000 1.022 130 L CA -0.386 54.581 54.840 0.213 0.000 0.814 130 L CB 1.332 43.542 42.059 0.252 0.000 1.217 130 L HN 0.581 nan 8.230 nan 0.000 0.420 131 K N 4.171 124.528 120.400 -0.071 0.000 2.310 131 K HA 0.093 4.413 4.320 -0.000 0.000 0.290 131 K C 0.163 176.474 176.600 -0.482 0.000 1.077 131 K CA -0.342 55.718 56.287 -0.377 0.000 0.922 131 K CB 0.413 32.666 32.500 -0.412 0.000 1.057 131 K HN 0.466 nan 8.250 nan 0.000 0.479 132 N N 6.696 125.119 118.700 -0.460 0.000 2.421 132 N HA 0.043 4.782 4.740 -0.000 0.000 0.260 132 N C -0.101 174.976 175.510 -0.722 0.000 1.173 132 N CA -0.287 52.336 53.050 -0.711 0.000 0.960 132 N CB -0.007 38.418 38.487 -0.104 0.000 1.273 132 N HN 0.584 nan 8.380 nan 0.000 0.497 133 I N -0.356 119.538 120.570 -1.127 0.000 3.110 133 I HA 0.611 4.781 4.170 -0.000 0.000 0.314 133 I C 0.078 175.791 176.117 -0.673 0.000 1.020 133 I CA -1.089 59.802 61.300 -0.682 0.000 1.169 133 I CB 1.264 38.972 38.000 -0.488 0.000 1.437 133 I HN 0.367 nan 8.210 nan 0.000 0.595 134 A N 2.236 124.845 122.820 -0.353 0.000 3.266 134 A HA 0.317 4.637 4.320 -0.000 0.000 0.310 134 A C 0.031 177.609 177.584 -0.011 0.000 1.066 134 A CA -0.658 51.284 52.037 -0.158 0.000 0.839 134 A CB -0.873 17.932 19.000 -0.325 0.000 1.192 134 A HN 0.928 nan 8.150 nan 0.000 0.496 135 N N -1.204 117.573 118.700 0.129 0.000 2.159 135 N HA -0.035 4.705 4.740 -0.000 0.000 0.217 135 N C 0.664 176.314 175.510 0.233 0.000 1.223 135 N CA 0.484 53.630 53.050 0.160 0.000 0.896 135 N CB 0.490 39.071 38.487 0.157 0.000 1.064 135 N HN 0.176 nan 8.380 nan 0.000 0.518 136 T N -0.005 114.728 114.554 0.298 0.000 2.814 136 T HA 0.044 4.394 4.350 -0.000 0.000 0.254 136 T C 0.593 175.451 174.700 0.263 0.000 1.037 136 T CA 0.806 63.086 62.100 0.300 0.000 1.143 136 T CB -0.108 68.946 68.868 0.311 0.000 0.866 136 T HN 0.197 nan 8.240 nan 0.000 0.431 137 N N -0.453 118.349 118.700 0.168 0.000 2.831 137 N HA 0.587 5.327 4.740 -0.000 0.000 0.276 137 N C -1.949 173.620 175.510 0.098 0.000 1.416 137 N CA -0.859 52.265 53.050 0.123 0.000 0.799 137 N CB 2.163 40.638 38.487 -0.020 0.000 1.554 137 N HN 0.221 nan 8.380 nan 0.000 0.541 138 I N 0.435 121.062 120.570 0.095 0.000 2.627 138 I HA 0.337 4.507 4.170 -0.000 0.000 0.288 138 I C -1.345 174.817 176.117 0.076 0.000 1.202 138 I CA -0.110 61.224 61.300 0.056 0.000 1.050 138 I CB 1.752 39.773 38.000 0.035 0.000 1.264 138 I HN 0.349 nan 8.210 nan 0.000 0.429 139 T N 5.834 120.420 114.554 0.054 0.000 2.916 139 T HA 0.529 4.878 4.350 -0.000 0.000 0.292 139 T C -1.933 172.829 174.700 0.104 0.000 1.055 139 T CA -0.302 61.883 62.100 0.142 0.000 1.009 139 T CB 1.583 70.590 68.868 0.232 0.000 1.118 139 T HN 0.446 nan 8.240 nan 0.000 0.497 140 Y N 2.094 122.439 120.300 0.076 0.000 2.346 140 Y HA 0.477 5.027 4.550 -0.000 0.000 0.332 140 Y C -0.553 175.473 175.900 0.209 0.000 0.985 140 Y CA -0.529 57.601 58.100 0.050 0.000 1.112 140 Y CB 1.148 39.636 38.460 0.047 0.000 1.170 140 Y HN 0.791 nan 8.280 nan 0.000 0.447 141 W N 3.149 124.175 121.300 -0.458 0.000 4.977 141 W HA 0.302 4.962 4.660 -0.000 0.000 0.185 141 W C 0.004 176.332 176.519 -0.318 0.000 1.003 141 W CA 0.499 57.654 57.345 -0.316 0.000 1.997 141 W CB 0.921 30.105 29.460 -0.459 0.000 0.712 141 W HN 0.740 nan 8.180 nan 0.000 1.014 142 G N 1.984 110.574 108.800 -0.350 0.000 4.699 142 G HA2 0.154 4.114 3.960 -0.000 0.000 0.308 142 G HA3 0.154 4.114 3.960 -0.000 0.000 0.308 142 G C -0.061 174.622 174.900 -0.361 0.000 1.399 142 G CA 0.189 45.078 45.100 -0.352 0.000 1.221 142 G HN 0.258 nan 8.290 nan 0.000 0.596 143 D N -0.626 119.453 120.400 -0.535 0.000 3.039 143 D HA -0.172 4.468 4.640 -0.000 0.000 0.222 143 D C 0.580 176.570 176.300 -0.516 0.000 1.179 143 D CA 0.912 54.631 54.000 -0.468 0.000 0.880 143 D CB -0.152 40.563 40.800 -0.142 0.000 1.115 143 D HN 0.458 nan 8.370 nan 0.000 0.416 144 R N 0.596 120.707 120.500 -0.648 0.000 2.239 144 R HA 0.348 4.688 4.340 -0.000 0.000 0.332 144 R C -0.346 175.693 176.300 -0.436 0.000 0.988 144 R CA -0.719 55.138 56.100 -0.405 0.000 0.859 144 R CB 0.711 30.853 30.300 -0.263 0.000 1.148 144 R HN -0.010 nan 8.270 nan 0.000 0.482 145 L N 6.405 127.485 121.223 -0.239 0.000 2.295 145 L HA 0.332 4.672 4.340 -0.000 0.000 0.288 145 L C -1.263 175.541 176.870 -0.109 0.000 1.079 145 L CA 0.152 54.929 54.840 -0.105 0.000 0.830 145 L CB 0.547 42.590 42.059 -0.028 0.000 1.200 145 L HN 0.525 nan 8.230 nan 0.000 0.438 146 L N 5.416 126.583 121.223 -0.093 0.000 2.296 146 L HA 0.668 5.008 4.340 -0.000 0.000 0.286 146 L C 0.278 177.144 176.870 -0.006 0.000 1.023 146 L CA -0.761 54.057 54.840 -0.037 0.000 0.812 146 L CB 1.600 43.643 42.059 -0.027 0.000 1.223 146 L HN 0.697 nan 8.230 nan 0.000 0.421 147 A N 5.505 128.341 122.820 0.027 0.000 2.309 147 A HA 0.654 4.974 4.320 -0.000 0.000 0.290 147 A C -0.362 177.286 177.584 0.107 0.000 1.206 147 A CA -0.358 51.706 52.037 0.045 0.000 0.850 147 A CB 0.180 19.192 19.000 0.019 0.000 1.118 147 A HN 0.667 nan 8.150 nan 0.000 0.523 148 L N 1.557 122.849 121.223 0.115 0.000 2.334 148 L HA 0.628 4.967 4.340 -0.000 0.000 0.275 148 L C -0.582 176.450 176.870 0.270 0.000 1.036 148 L CA -0.432 54.498 54.840 0.150 0.000 0.807 148 L CB 1.535 43.638 42.059 0.072 0.000 1.231 148 L HN 0.876 nan 8.230 nan 0.000 0.438 149 W N 2.514 123.844 121.300 0.050 0.000 3.097 149 W HA 0.226 4.886 4.660 -0.000 0.000 0.325 149 W C 0.794 177.349 176.519 0.061 0.000 1.056 149 W CA -0.637 56.753 57.345 0.075 0.000 1.254 149 W CB 0.968 30.479 29.460 0.085 0.000 1.202 149 W HN 0.721 nan 8.180 nan 0.000 0.400 150 E N 1.747 121.760 120.200 -0.312 0.000 2.444 150 E HA -0.141 4.209 4.350 -0.000 0.000 0.204 150 E C 1.380 177.703 176.600 -0.460 0.000 1.049 150 E CA 1.502 57.692 56.400 -0.350 0.000 0.872 150 E CB 0.045 29.610 29.700 -0.226 0.000 0.791 150 E HN 0.565 nan 8.360 nan 0.000 0.548 151 G N 0.185 108.442 108.800 -0.904 0.000 3.159 151 G HA2 0.402 4.362 3.960 -0.000 0.000 0.232 151 G HA3 0.402 4.362 3.960 -0.000 0.000 0.232 151 G C 0.279 175.144 174.900 -0.058 0.000 1.116 151 G CA 0.124 44.832 45.100 -0.653 0.000 0.767 151 G HN 0.416 nan 8.290 nan 0.000 0.547 152 G N -0.938 107.977 108.800 0.193 0.000 2.870 152 G HA2 0.503 4.463 3.960 -0.000 0.000 0.299 152 G HA3 0.503 4.463 3.960 -0.000 0.000 0.299 152 G C -1.022 174.004 174.900 0.210 0.000 1.324 152 G CA -0.687 44.613 45.100 0.333 0.000 0.808 152 G HN 0.163 nan 8.290 nan 0.000 0.535 153 Q N 0.291 120.190 119.800 0.164 0.000 2.312 153 Q HA 0.331 4.671 4.340 -0.000 0.000 0.236 153 Q C -2.166 173.910 176.000 0.126 0.000 0.965 153 Q CA -1.292 54.558 55.803 0.078 0.000 0.894 153 Q CB 1.350 30.087 28.738 -0.003 0.000 1.225 153 Q HN 0.202 nan 8.270 nan 0.000 0.478 154 P HA 0.086 nan 4.420 nan 0.000 0.274 154 P C -1.269 176.074 177.300 0.072 0.000 1.256 154 P CA -0.092 63.081 63.100 0.121 0.000 0.795 154 P CB 0.566 32.298 31.700 0.053 0.000 1.038 155 H N -0.316 118.763 119.070 0.014 0.000 2.539 155 H HA 0.376 4.932 4.556 -0.000 0.000 0.332 155 H C 0.140 175.455 175.328 -0.022 0.000 1.031 155 H CA -0.484 55.562 56.048 -0.004 0.000 1.206 155 H CB 1.047 30.804 29.762 -0.008 0.000 1.446 155 H HN 0.158 nan 8.280 nan 0.000 0.496 156 R N 3.403 123.926 120.500 0.038 0.000 2.490 156 R HA 0.387 4.727 4.340 -0.000 0.000 0.280 156 R C -0.945 175.364 176.300 0.015 0.000 1.077 156 R CA -0.335 55.766 56.100 0.001 0.000 1.065 156 R CB 0.451 30.733 30.300 -0.030 0.000 1.003 156 R HN 0.562 nan 8.270 nan 0.000 0.470 157 L N 1.627 122.844 121.223 -0.010 0.000 2.333 157 L HA 0.392 4.732 4.340 -0.000 0.000 0.263 157 L C -0.441 176.427 176.870 -0.003 0.000 1.014 157 L CA -1.086 53.749 54.840 -0.008 0.000 0.820 157 L CB 1.641 43.682 42.059 -0.029 0.000 1.352 157 L HN 0.433 nan 8.230 nan 0.000 0.421 158 E N 2.062 122.266 120.200 0.006 0.000 2.070 158 E HA 0.201 4.551 4.350 -0.000 0.000 0.282 158 E C -1.979 174.642 176.600 0.036 0.000 1.104 158 E CA -2.144 54.268 56.400 0.021 0.000 0.876 158 E CB 1.101 30.811 29.700 0.015 0.000 1.055 158 E HN 0.171 nan 8.360 nan 0.000 0.401 159 P HA -0.217 nan 4.420 nan 0.000 0.216 159 P C 0.955 178.296 177.300 0.068 0.000 1.150 159 P CA 1.616 64.784 63.100 0.113 0.000 0.843 159 P CB 0.166 31.965 31.700 0.166 0.000 0.787 160 S N 0.588 116.314 115.700 0.044 0.000 2.351 160 S HA -0.189 4.281 4.470 -0.000 0.000 0.220 160 S C 1.501 176.104 174.600 0.005 0.000 1.035 160 S CA 1.774 59.988 58.200 0.024 0.000 1.031 160 S CB -1.406 61.809 63.200 0.025 0.000 0.928 160 S HN 0.286 nan 8.310 nan 0.000 0.433 161 N N 0.245 118.944 118.700 -0.001 0.000 2.171 161 N HA 0.233 4.973 4.740 -0.000 0.000 0.212 161 N C 0.367 175.849 175.510 -0.046 0.000 1.184 161 N CA -0.022 53.014 53.050 -0.023 0.000 0.888 161 N CB 0.083 38.565 38.487 -0.007 0.000 1.038 161 N HN 0.198 nan 8.380 nan 0.000 0.517 162 L N -1.354 119.852 121.223 -0.028 0.000 5.081 162 L HA -0.204 4.136 4.340 -0.000 0.000 0.423 162 L C 0.522 177.374 176.870 -0.029 0.000 1.019 162 L CA 0.264 55.082 54.840 -0.037 0.000 1.223 162 L CB -2.246 39.762 42.059 -0.084 0.000 1.940 162 L HN 0.467 nan 8.230 nan 0.000 0.675 163 A N -0.584 122.227 122.820 -0.013 0.000 2.536 163 A HA 0.406 4.725 4.320 -0.000 0.000 0.234 163 A C 0.857 178.447 177.584 0.010 0.000 1.076 163 A CA 1.142 53.180 52.037 0.001 0.000 0.769 163 A CB -0.048 18.957 19.000 0.008 0.000 1.020 163 A HN 0.352 nan 8.150 nan 0.000 0.508 164 T N 2.106 116.675 114.554 0.025 0.000 2.771 164 T HA 0.422 4.772 4.350 -0.000 0.000 0.291 164 T C 1.214 175.939 174.700 0.041 0.000 0.954 164 T CA -0.108 62.017 62.100 0.042 0.000 1.045 164 T CB 0.727 69.636 68.868 0.068 0.000 0.917 164 T HN 0.432 nan 8.240 nan 0.000 0.484 165 I N 1.589 122.180 120.570 0.035 0.000 2.385 165 I HA 0.356 4.526 4.170 -0.000 0.000 0.244 165 I C 1.513 177.641 176.117 0.017 0.000 1.089 165 I CA 0.567 61.878 61.300 0.018 0.000 1.410 165 I CB -0.025 37.976 38.000 0.002 0.000 1.117 165 I HN 0.833 nan 8.210 nan 0.000 0.429 166 G N -0.210 108.598 108.800 0.014 0.000 2.343 166 G HA2 0.190 4.150 3.960 -0.000 0.000 0.289 166 G HA3 0.190 4.150 3.960 -0.000 0.000 0.289 166 G C -1.302 173.501 174.900 -0.162 0.000 1.295 166 G CA -1.006 44.075 45.100 -0.032 0.000 0.869 166 G HN -0.026 nan 8.290 nan 0.000 0.522 167 L N 0.401 121.459 121.223 -0.275 0.000 2.483 167 L HA 0.440 4.780 4.340 -0.000 0.000 0.276 167 L C 0.118 176.884 176.870 -0.172 0.000 1.213 167 L CA 0.272 54.897 54.840 -0.358 0.000 0.843 167 L CB 0.753 42.640 42.059 -0.286 0.000 1.107 167 L HN 0.676 nan 8.230 nan 0.000 0.487 168 D N -0.363 119.955 120.400 -0.136 0.000 2.787 168 D HA 0.206 4.846 4.640 -0.000 0.000 0.246 168 D C -0.494 175.773 176.300 -0.054 0.000 1.150 168 D CA -0.525 53.428 54.000 -0.077 0.000 0.864 168 D CB 1.330 42.093 40.800 -0.062 0.000 1.481 168 D HN 0.522 nan 8.370 nan 0.000 0.509 169 D N 4.259 124.633 120.400 -0.043 0.000 2.368 169 D HA 0.085 4.725 4.640 -0.000 0.000 0.218 169 D C 1.059 177.344 176.300 -0.024 0.000 1.112 169 D CA -0.184 53.799 54.000 -0.029 0.000 0.834 169 D CB -0.177 40.608 40.800 -0.025 0.000 0.953 169 D HN 0.554 nan 8.370 nan 0.000 0.505 170 L N -0.716 120.488 121.223 -0.032 0.000 4.759 170 L HA -0.205 4.135 4.340 -0.000 0.000 0.419 170 L C 0.899 177.754 176.870 -0.025 0.000 1.093 170 L CA 0.378 55.200 54.840 -0.031 0.000 1.037 170 L CB -1.943 40.107 42.059 -0.015 0.000 2.095 170 L HN 0.480 nan 8.230 nan 0.000 0.739 171 G N -1.106 107.678 108.800 -0.026 0.000 2.414 171 G HA2 0.231 4.191 3.960 -0.000 0.000 0.256 171 G HA3 0.231 4.191 3.960 -0.000 0.000 0.256 171 G C 0.992 175.885 174.900 -0.012 0.000 1.128 171 G CA 0.505 45.593 45.100 -0.021 0.000 0.944 171 G HN 1.648 nan 8.290 nan 0.000 0.500 172 G N -1.164 107.628 108.800 -0.012 0.000 2.217 172 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 172 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 172 G C 1.429 176.327 174.900 -0.004 0.000 0.990 172 G CA 0.623 45.719 45.100 -0.008 0.000 0.627 172 G HN 1.401 nan 8.290 nan 0.000 0.522 173 I N 0.340 120.909 120.570 -0.001 0.000 2.439 173 I HA 0.161 4.331 4.170 -0.000 0.000 0.251 173 I C 1.268 177.385 176.117 0.000 0.000 1.139 173 I CA 0.838 62.140 61.300 0.004 0.000 1.438 173 I CB -0.304 37.704 38.000 0.012 0.000 1.085 173 I HN 0.097 nan 8.210 nan 0.000 0.427 174 L N 1.379 122.599 121.223 -0.005 0.000 2.309 174 L HA 0.558 4.898 4.340 -0.000 0.000 0.282 174 L C 0.413 177.279 176.870 -0.008 0.000 1.036 174 L CA -0.711 54.124 54.840 -0.008 0.000 0.806 174 L CB 1.500 43.553 42.059 -0.011 0.000 1.220 174 L HN 0.047 nan 8.230 nan 0.000 0.429 175 A N 2.474 125.290 122.820 -0.006 0.000 2.406 175 A HA 0.124 4.444 4.320 -0.000 0.000 0.243 175 A C 0.187 177.769 177.584 -0.003 0.000 1.082 175 A CA -0.245 51.789 52.037 -0.005 0.000 0.786 175 A CB 0.192 19.190 19.000 -0.004 0.000 1.029 175 A HN 0.796 nan 8.150 nan 0.000 0.495 176 E N -0.032 120.167 120.200 -0.002 0.000 2.415 176 E HA 0.322 4.672 4.350 -0.000 0.000 0.263 176 E C 1.282 177.888 176.600 0.010 0.000 0.995 176 E CA 1.103 57.503 56.400 -0.000 0.000 0.915 176 E CB 0.013 29.714 29.700 0.001 0.000 0.951 176 E HN 1.373 nan 8.360 nan 0.000 0.449 177 G N 3.508 112.317 108.800 0.015 0.000 2.168 177 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.263 177 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.263 177 G C 0.241 175.164 174.900 0.038 0.000 0.977 177 G CA 0.582 45.704 45.100 0.037 0.000 0.659 177 G HN 0.609 nan 8.290 nan 0.000 0.533 178 Q N 0.852 120.662 119.800 0.017 0.000 2.297 178 Q HA 0.346 4.686 4.340 -0.000 0.000 0.267 178 Q C -2.142 173.860 176.000 0.002 0.000 1.006 178 Q CA -1.566 54.240 55.803 0.005 0.000 0.896 178 Q CB 0.810 29.543 28.738 -0.007 0.000 1.186 178 Q HN 0.202 nan 8.270 nan 0.000 0.392 179 P HA 0.029 nan 4.420 nan 0.000 0.269 179 P C -1.305 175.943 177.300 -0.086 0.000 1.209 179 P CA -0.043 63.032 63.100 -0.043 0.000 0.776 179 P CB 0.517 32.170 31.700 -0.079 0.000 0.876 180 L N 2.115 123.276 121.223 -0.103 0.000 2.439 180 L HA 0.416 4.756 4.340 -0.000 0.000 0.270 180 L C 0.014 176.734 176.870 -0.250 0.000 0.972 180 L CA -0.494 54.250 54.840 -0.159 0.000 0.836 180 L CB 1.718 43.737 42.059 -0.066 0.000 1.255 180 L HN 0.243 nan 8.230 nan 0.000 0.404 181 S N 3.205 118.602 115.700 -0.505 0.000 2.550 181 S HA 0.301 4.771 4.470 -0.000 0.000 0.285 181 S C 1.122 175.530 174.600 -0.320 0.000 1.326 181 S CA 0.534 58.347 58.200 -0.644 0.000 1.037 181 S CB 0.761 63.139 63.200 -1.370 0.000 0.838 181 S HN 0.943 nan 8.310 nan 0.000 0.519 182 A N 3.709 126.381 122.820 -0.246 0.000 2.387 182 A HA 0.272 4.592 4.320 -0.000 0.000 0.234 182 A C 0.491 177.846 177.584 -0.382 0.000 1.253 182 A CA -0.151 51.773 52.037 -0.188 0.000 0.894 182 A CB -0.012 18.940 19.000 -0.081 0.000 0.963 182 A HN 0.881 nan 8.150 nan 0.000 0.508 183 H N 0.959 119.889 119.070 -0.234 0.000 2.386 183 H HA 0.223 4.779 4.556 -0.000 0.000 0.232 183 H C -2.821 172.531 175.328 0.040 0.000 1.416 183 H CA -1.502 54.459 56.048 -0.143 0.000 1.285 183 H CB 0.580 30.251 29.762 -0.152 0.000 1.625 183 H HN 0.347 nan 8.280 nan 0.000 0.521 184 P HA 0.133 nan 4.420 nan 0.000 0.272 184 P C 0.084 177.302 177.300 -0.137 0.000 1.240 184 P CA -0.329 62.653 63.100 -0.197 0.000 0.791 184 P CB 1.473 32.750 31.700 -0.705 0.000 0.978 185 R N 1.521 121.894 120.500 -0.211 0.000 2.514 185 R HA 0.486 4.826 4.340 -0.000 0.000 0.296 185 R C -0.420 175.707 176.300 -0.288 0.000 1.012 185 R CA -0.737 55.219 56.100 -0.241 0.000 0.897 185 R CB 1.443 31.520 30.300 -0.372 0.000 1.184 185 R HN 0.503 nan 8.270 nan 0.000 0.440 186 I N 2.444 122.880 120.570 -0.223 0.000 2.322 186 I HA 0.035 4.205 4.170 -0.000 0.000 0.292 186 I C 0.509 176.582 176.117 -0.072 0.000 1.060 186 I CA -0.374 60.812 61.300 -0.191 0.000 1.309 186 I CB 0.740 38.690 38.000 -0.083 0.000 1.415 186 I HN 0.284 nan 8.210 nan 0.000 0.492 187 D N 9.819 130.184 120.400 -0.059 0.000 2.401 187 D HA 0.079 4.719 4.640 -0.000 0.000 0.254 187 D C -1.536 174.803 176.300 0.065 0.000 1.192 187 D CA -1.772 52.220 54.000 -0.013 0.000 0.885 187 D CB 1.691 42.486 40.800 -0.009 0.000 1.147 187 D HN 0.252 nan 8.370 nan 0.000 0.478 188 P HA 0.070 nan 4.420 nan 0.000 0.223 188 P C -0.627 176.727 177.300 0.091 0.000 1.151 188 P CA 0.440 63.600 63.100 0.100 0.000 0.787 188 P CB 0.503 32.249 31.700 0.077 0.000 0.788 189 A N -1.323 121.524 122.820 0.045 0.000 2.562 189 A HA 0.360 4.679 4.320 -0.000 0.000 0.297 189 A C -0.340 177.230 177.584 -0.022 0.000 1.100 189 A CA -0.331 51.724 52.037 0.030 0.000 0.914 189 A CB 0.069 19.079 19.000 0.017 0.000 1.490 189 A HN -0.122 nan 8.150 nan 0.000 0.391 190 S N 1.191 116.889 115.700 -0.003 0.000 2.515 190 S HA 0.171 4.641 4.470 -0.000 0.000 0.285 190 S C 1.561 176.073 174.600 -0.146 0.000 1.265 190 S CA 0.957 59.110 58.200 -0.078 0.000 1.079 190 S CB 0.461 63.686 63.200 0.041 0.000 0.877 190 S HN 0.862 nan 8.310 nan 0.000 0.493 191 T N 4.679 119.022 114.554 -0.352 0.000 2.977 191 T HA -0.043 4.307 4.350 -0.000 0.000 0.271 191 T C 0.799 175.404 174.700 -0.159 0.000 1.105 191 T CA 1.283 63.206 62.100 -0.295 0.000 1.116 191 T CB -0.356 68.286 68.868 -0.377 0.000 0.878 191 T HN 0.657 nan 8.240 nan 0.000 0.509 192 F N 0.842 120.825 119.950 0.055 0.000 2.746 192 F HA 0.342 4.869 4.527 -0.000 0.000 0.297 192 F C 1.245 177.074 175.800 0.047 0.000 1.113 192 F CA -0.558 57.469 58.000 0.045 0.000 1.367 192 F CB 0.233 39.259 39.000 0.043 0.000 1.111 192 F HN 0.171 nan 8.300 nan 0.000 0.590 193 D N -0.890 119.617 120.400 0.177 0.000 2.650 193 D HA 0.287 4.927 4.640 -0.000 0.000 0.265 193 D C 1.797 178.149 176.300 0.086 0.000 1.339 193 D CA 0.680 54.760 54.000 0.133 0.000 0.816 193 D CB 0.646 41.531 40.800 0.142 0.000 1.091 193 D HN 0.288 nan 8.370 nan 0.000 0.483 194 G N 1.033 109.873 108.800 0.067 0.000 2.253 194 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.251 194 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.251 194 G C 1.075 175.994 174.900 0.031 0.000 0.998 194 G CA 0.216 45.343 45.100 0.045 0.000 0.621 194 G HN 1.035 nan 8.290 nan 0.000 0.524 195 G N -1.151 107.669 108.800 0.033 0.000 2.200 195 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.145 195 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.145 195 G C -0.077 174.856 174.900 0.055 0.000 1.021 195 G CA 0.558 45.675 45.100 0.029 0.000 0.720 195 G HN 0.909 nan 8.290 nan 0.000 0.494 196 Q N 1.657 121.501 119.800 0.074 0.000 2.279 196 Q HA 0.348 4.687 4.340 -0.000 0.000 0.256 196 Q C -1.999 174.093 176.000 0.154 0.000 0.937 196 Q CA -1.679 54.184 55.803 0.099 0.000 0.933 196 Q CB 1.847 30.641 28.738 0.093 0.000 1.189 196 Q HN 0.280 nan 8.270 nan 0.000 0.417 197 P HA -0.101 nan 4.420 nan 0.000 0.270 197 P C -0.590 176.986 177.300 0.460 0.000 1.221 197 P CA -0.093 63.204 63.100 0.329 0.000 0.788 197 P CB 0.678 32.649 31.700 0.451 0.000 0.904 198 C N 2.939 122.480 119.300 0.401 0.000 2.752 198 C HA 0.377 4.837 4.460 -0.000 0.000 0.360 198 C C -1.037 173.903 174.990 -0.084 0.000 1.081 198 C CA -0.727 58.467 59.018 0.293 0.000 1.272 198 C CB -0.115 27.737 27.740 0.186 0.000 1.754 198 C HN 0.650 nan 8.230 nan 0.000 0.483 199 Y N 5.937 125.904 120.300 -0.555 0.000 2.627 199 Y HA 0.478 5.027 4.550 -0.000 0.000 0.347 199 Y C 0.299 176.012 175.900 -0.313 0.000 1.099 199 Y CA -0.020 57.544 58.100 -0.893 0.000 1.408 199 Y CB 0.646 38.166 38.460 -1.567 0.000 1.247 199 Y HN 0.699 nan 8.280 nan 0.000 0.506 200 V N 6.571 126.340 119.914 -0.242 0.000 2.406 200 V HA 0.569 4.688 4.120 -0.000 0.000 0.272 200 V C -0.317 175.794 176.094 0.027 0.000 1.043 200 V CA 0.466 62.757 62.300 -0.016 0.000 0.915 200 V CB 1.027 32.919 31.823 0.115 0.000 0.988 200 V HN 0.829 nan 8.190 nan 0.000 0.466 201 T N 5.726 120.293 114.554 0.022 0.000 2.742 201 T HA 0.868 5.218 4.350 -0.000 0.000 0.282 201 T C -1.072 173.615 174.700 -0.023 0.000 1.025 201 T CA -0.153 61.911 62.100 -0.060 0.000 1.020 201 T CB 1.554 70.327 68.868 -0.158 0.000 1.317 201 T HN 1.210 nan 8.240 nan 0.000 0.538 202 F N -0.460 119.308 119.950 -0.304 0.000 2.686 202 F HA 0.827 5.353 4.527 -0.000 0.000 0.311 202 F C -0.911 174.781 175.800 -0.179 0.000 1.128 202 F CA -1.007 56.844 58.000 -0.249 0.000 0.946 202 F CB 1.408 40.215 39.000 -0.320 0.000 1.336 202 F HN 0.535 nan 8.300 nan 0.000 0.457 203 S N 2.908 118.557 115.700 -0.084 0.000 2.571 203 S HA 0.802 5.272 4.470 -0.000 0.000 0.284 203 S C -1.687 172.892 174.600 -0.036 0.000 1.128 203 S CA -0.509 57.604 58.200 -0.145 0.000 0.970 203 S CB 1.295 64.438 63.200 -0.096 0.000 1.039 203 S HN 1.079 nan 8.310 nan 0.000 0.485 204 I N 2.751 123.287 120.570 -0.056 0.000 2.865 204 I HA 0.658 4.828 4.170 -0.000 0.000 0.302 204 I C -1.612 174.470 176.117 -0.058 0.000 1.140 204 I CA -0.766 60.513 61.300 -0.035 0.000 1.021 204 I CB 2.060 40.078 38.000 0.030 0.000 1.233 204 I HN 0.821 nan 8.210 nan 0.000 0.427 205 K N 4.144 124.497 120.400 -0.078 0.000 2.581 205 K HA 0.475 4.795 4.320 -0.000 0.000 0.249 205 K C -1.830 174.720 176.600 -0.083 0.000 0.966 205 K CA -0.320 55.934 56.287 -0.056 0.000 0.811 205 K CB 1.925 34.400 32.500 -0.041 0.000 1.223 205 K HN 0.583 nan 8.250 nan 0.000 0.438 206 S N 1.546 117.233 115.700 -0.020 0.000 2.541 206 S HA 0.727 5.197 4.470 -0.000 0.000 0.280 206 S C -0.842 173.910 174.600 0.254 0.000 1.112 206 S CA -0.231 57.973 58.200 0.006 0.000 0.925 206 S CB 1.938 65.002 63.200 -0.227 0.000 1.067 206 S HN 0.694 nan 8.310 nan 0.000 0.479 207 S N 2.121 117.992 115.700 0.286 0.000 5.707 207 S HA 0.244 4.713 4.470 -0.000 0.000 0.128 207 S C 0.340 175.082 174.600 0.236 0.000 1.212 207 S CA -0.226 58.137 58.200 0.272 0.000 1.212 207 S CB -0.642 62.643 63.200 0.142 0.000 2.049 207 S HN 0.439 nan 8.310 nan 0.000 0.680 208 L N 1.808 123.109 121.223 0.131 0.000 2.162 208 L HA 0.430 4.770 4.340 -0.000 0.000 0.205 208 L C 1.114 178.033 176.870 0.081 0.000 1.086 208 L CA 1.232 56.133 54.840 0.101 0.000 0.778 208 L CB -0.438 41.661 42.059 0.068 0.000 0.928 208 L HN 0.442 nan 8.230 nan 0.000 0.446 209 S N -1.870 113.848 115.700 0.029 0.000 2.632 209 S HA 0.704 5.174 4.470 -0.000 0.000 0.289 209 S C -0.632 173.851 174.600 -0.194 0.000 1.115 209 S CA -0.514 57.647 58.200 -0.066 0.000 0.889 209 S CB 1.700 64.859 63.200 -0.069 0.000 1.116 209 S HN 0.050 nan 8.310 nan 0.000 0.486 210 S N 1.376 116.774 115.700 -0.504 0.000 2.500 210 S HA 0.696 5.166 4.470 -0.000 0.000 0.301 210 S C -0.872 173.236 174.600 -0.820 0.000 1.092 210 S CA -0.687 57.049 58.200 -0.774 0.000 1.030 210 S CB 1.583 64.045 63.200 -1.231 0.000 1.031 210 S HN 0.862 nan 8.310 nan 0.000 0.483 211 T N 2.157 116.441 114.554 -0.449 0.000 2.840 211 T HA 0.663 5.013 4.350 -0.000 0.000 0.287 211 T C -1.230 173.367 174.700 -0.172 0.000 0.991 211 T CA -0.608 61.333 62.100 -0.267 0.000 0.964 211 T CB 0.447 69.225 68.868 -0.152 0.000 0.954 211 T HN 0.521 nan 8.240 nan 0.000 0.438 212 L N 4.680 125.840 121.223 -0.104 0.000 2.376 212 L HA 0.673 5.013 4.340 -0.000 0.000 0.275 212 L C -0.475 176.342 176.870 -0.089 0.000 0.987 212 L CA -0.280 54.499 54.840 -0.102 0.000 0.828 212 L CB 2.055 44.008 42.059 -0.177 0.000 1.249 212 L HN 0.754 nan 8.230 nan 0.000 0.409 213 T N 5.559 120.080 114.554 -0.054 0.000 2.758 213 T HA 0.423 4.773 4.350 -0.000 0.000 0.285 213 T C -0.519 174.190 174.700 0.016 0.000 0.981 213 T CA -0.332 61.755 62.100 -0.021 0.000 0.965 213 T CB 1.213 70.075 68.868 -0.010 0.000 0.927 213 T HN 0.349 nan 8.240 nan 0.000 0.448 214 L N 5.447 126.691 121.223 0.035 0.000 2.357 214 L HA 0.866 5.206 4.340 -0.000 0.000 0.273 214 L C -0.970 175.963 176.870 0.105 0.000 1.080 214 L CA -0.800 54.112 54.840 0.120 0.000 0.803 214 L CB 0.732 42.893 42.059 0.170 0.000 1.174 214 L HN 0.665 nan 8.230 nan 0.000 0.443 215 L N 1.654 122.953 121.223 0.126 0.000 2.643 215 L HA 0.663 5.003 4.340 -0.000 0.000 0.256 215 L C -1.556 175.388 176.870 0.124 0.000 0.931 215 L CA -0.527 54.375 54.840 0.105 0.000 0.895 215 L CB 1.888 43.992 42.059 0.075 0.000 1.430 215 L HN 0.706 nan 8.230 nan 0.000 0.419 216 E N 3.901 124.177 120.200 0.127 0.000 2.227 216 E HA 0.796 5.145 4.350 -0.000 0.000 0.268 216 E C -1.368 175.330 176.600 0.164 0.000 0.907 216 E CA -0.932 55.556 56.400 0.147 0.000 0.786 216 E CB 2.901 32.698 29.700 0.162 0.000 1.191 216 E HN 0.610 nan 8.360 nan 0.000 0.411 217 L N 1.995 123.342 121.223 0.207 0.000 2.381 217 L HA 0.296 4.636 4.340 -0.000 0.000 0.274 217 L C -0.330 176.794 176.870 0.424 0.000 0.988 217 L CA -1.282 53.717 54.840 0.265 0.000 0.824 217 L CB 1.521 43.733 42.059 0.255 0.000 1.263 217 L HN 0.598 nan 8.230 nan 0.000 0.410 218 D N 2.780 123.369 120.400 0.315 0.000 2.378 218 D HA 0.069 4.709 4.640 -0.000 0.000 0.238 218 D C -2.005 174.477 176.300 0.304 0.000 1.180 218 D CA -1.885 52.293 54.000 0.296 0.000 0.895 218 D CB 0.511 41.404 40.800 0.156 0.000 1.192 218 D HN 0.191 nan 8.370 nan 0.000 0.438 219 P HA -0.156 nan 4.420 nan 0.000 0.225 219 P C 0.602 177.675 177.300 -0.378 0.000 1.141 219 P CA 1.330 64.212 63.100 -0.364 0.000 0.774 219 P CB 0.097 31.639 31.700 -0.262 0.000 0.760 220 Q N -2.044 117.677 119.800 -0.132 0.000 2.319 220 Q HA 0.340 4.680 4.340 -0.000 0.000 0.202 220 Q C 1.287 177.247 176.000 -0.067 0.000 0.896 220 Q CA 0.613 56.350 55.803 -0.110 0.000 0.942 220 Q CB -0.324 28.386 28.738 -0.048 0.000 1.083 220 Q HN 0.163 nan 8.270 nan 0.000 0.510 221 G N 0.817 109.627 108.800 0.017 0.000 2.160 221 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 221 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 221 G C -0.437 174.506 174.900 0.071 0.000 1.022 221 G CA -0.131 45.023 45.100 0.090 0.000 0.741 221 G HN 0.048 nan 8.290 nan 0.000 0.508 222 K N -0.031 120.422 120.400 0.087 0.000 2.182 222 K HA 0.563 4.883 4.320 -0.000 0.000 0.262 222 K C 0.280 176.934 176.600 0.090 0.000 0.957 222 K CA -1.260 55.067 56.287 0.066 0.000 0.842 222 K CB 2.371 34.899 32.500 0.047 0.000 1.099 222 K HN 0.163 nan 8.250 nan 0.000 0.438 223 L N 3.364 124.629 121.223 0.070 0.000 2.543 223 L HA -0.053 4.287 4.340 -0.000 0.000 0.285 223 L C 0.651 177.567 176.870 0.077 0.000 1.236 223 L CA 0.835 55.720 54.840 0.075 0.000 0.871 223 L CB -0.108 41.982 42.059 0.052 0.000 1.121 223 L HN 0.725 nan 8.230 nan 0.000 0.501 224 L N 3.041 124.318 121.223 0.089 0.000 2.738 224 L HA 0.341 4.681 4.340 -0.000 0.000 0.175 224 L C 0.725 177.630 176.870 0.058 0.000 1.125 224 L CA -0.293 54.597 54.840 0.084 0.000 0.857 224 L CB -0.008 42.123 42.059 0.120 0.000 1.300 224 L HN 0.494 nan 8.230 nan 0.000 0.499 225 R N 0.162 120.700 120.500 0.063 0.000 2.854 225 R HA 0.541 4.881 4.340 -0.000 0.000 0.271 225 R C -0.978 175.348 176.300 0.043 0.000 0.996 225 R CA -0.414 55.705 56.100 0.032 0.000 0.961 225 R CB 1.982 32.293 30.300 0.019 0.000 1.182 225 R HN -0.011 nan 8.270 nan 0.000 0.479 226 Q N 2.421 122.236 119.800 0.025 0.000 2.536 226 Q HA 0.127 4.467 4.340 -0.000 0.000 0.231 226 Q C -1.897 174.113 176.000 0.017 0.000 0.811 226 Q CA -0.342 55.480 55.803 0.030 0.000 0.966 226 Q CB 1.588 30.343 28.738 0.028 0.000 1.512 226 Q HN 0.600 nan 8.270 nan 0.000 0.456 227 K N 1.456 121.869 120.400 0.022 0.000 2.185 227 K HA 0.767 5.087 4.320 -0.000 0.000 0.240 227 K C -1.197 175.408 176.600 0.008 0.000 0.983 227 K CA -0.190 56.105 56.287 0.012 0.000 0.873 227 K CB 2.033 34.544 32.500 0.018 0.000 1.118 227 K HN 0.490 nan 8.250 nan 0.000 0.441 228 T N 0.451 115.006 114.554 0.001 0.000 3.295 228 T HA 0.273 4.623 4.350 -0.000 0.000 0.331 228 T C -1.893 172.807 174.700 0.000 0.000 1.142 228 T CA -0.771 61.324 62.100 -0.008 0.000 1.078 228 T CB 1.383 70.243 68.868 -0.012 0.000 1.150 228 T HN 0.687 nan 8.240 nan 0.000 0.465 229 E N 2.470 122.675 120.200 0.009 0.000 2.222 229 E HA 0.674 5.024 4.350 -0.000 0.000 0.267 229 E C -1.001 175.648 176.600 0.081 0.000 0.884 229 E CA -0.422 56.009 56.400 0.051 0.000 0.764 229 E CB 2.131 31.871 29.700 0.066 0.000 1.169 229 E HN 0.636 nan 8.360 nan 0.000 0.413 230 T N 4.810 119.402 114.554 0.063 0.000 2.797 230 T HA 0.647 4.997 4.350 -0.000 0.000 0.279 230 T C -1.102 173.652 174.700 0.089 0.000 0.991 230 T CA -0.438 61.648 62.100 -0.023 0.000 0.979 230 T CB 0.059 68.895 68.868 -0.053 0.000 0.943 230 T HN 0.406 nan 8.240 nan 0.000 0.444 231 F N 2.091 122.022 119.950 -0.032 0.000 2.643 231 F HA 0.830 5.357 4.527 -0.000 0.000 0.314 231 F C -2.953 172.846 175.800 -0.003 0.000 1.096 231 F CA -3.018 54.969 58.000 -0.021 0.000 0.953 231 F CB 0.506 39.485 39.000 -0.034 0.000 1.345 231 F HN 0.232 nan 8.300 nan 0.000 0.468 232 P HA 0.416 nan 4.420 nan 0.000 0.274 232 P C 0.262 177.671 177.300 0.183 0.000 1.256 232 P CA 0.612 63.788 63.100 0.126 0.000 0.795 232 P CB 0.878 32.649 31.700 0.119 0.000 1.038 233 G N -0.086 108.796 108.800 0.137 0.000 2.697 233 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.240 233 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.240 233 G C -1.097 173.943 174.900 0.234 0.000 1.346 233 G CA -0.325 44.891 45.100 0.192 0.000 0.887 233 G HN 0.568 nan 8.290 nan 0.000 0.569 234 F N 1.102 121.132 119.950 0.133 0.000 2.432 234 F HA 0.785 5.312 4.527 -0.000 0.000 0.329 234 F C 0.519 176.457 175.800 0.231 0.000 1.076 234 F CA 0.216 58.301 58.000 0.142 0.000 1.018 234 F CB 1.806 40.885 39.000 0.132 0.000 1.201 234 F HN 1.446 nan 8.300 nan 0.000 0.489 235 A N 4.124 126.489 122.820 -0.758 0.000 2.574 235 A HA 0.644 4.964 4.320 -0.000 0.000 0.297 235 A C -2.368 174.855 177.584 -0.602 0.000 1.062 235 A CA -0.474 51.333 52.037 -0.383 0.000 0.686 235 A CB 0.922 19.959 19.000 0.061 0.000 1.285 235 A HN 0.720 nan 8.150 nan 0.000 0.403 236 F N 3.453 123.228 119.950 -0.291 0.000 2.496 236 F HA 0.697 5.224 4.527 -0.000 0.000 0.341 236 F C -1.179 174.654 175.800 0.056 0.000 1.134 236 F CA -1.347 56.600 58.000 -0.089 0.000 0.968 236 F CB 1.065 40.158 39.000 0.155 0.000 1.205 236 F HN 0.400 nan 8.300 nan 0.000 0.436 237 I N 6.763 127.129 120.570 -0.340 0.000 2.466 237 I HA 0.156 4.325 4.170 -0.000 0.000 0.279 237 I C 0.089 176.072 176.117 -0.224 0.000 1.033 237 I CA -0.451 60.687 61.300 -0.269 0.000 1.123 237 I CB 1.201 39.153 38.000 -0.080 0.000 1.237 237 I HN 0.746 nan 8.210 nan 0.000 0.460 238 H N 3.932 122.654 119.070 -0.580 0.000 2.465 238 H HA 0.201 4.757 4.556 -0.000 0.000 0.289 238 H C -0.055 175.244 175.328 -0.049 0.000 1.022 238 H CA 1.007 56.843 56.048 -0.353 0.000 1.340 238 H CB 0.672 30.155 29.762 -0.464 0.000 1.437 238 H HN 0.579 nan 8.280 nan 0.000 0.539 239 D N -1.045 119.252 120.400 -0.171 0.000 2.552 239 D HA 0.255 4.894 4.640 -0.000 0.000 0.239 239 D C -1.278 175.143 176.300 0.201 0.000 1.139 239 D CA -0.587 53.349 54.000 -0.108 0.000 0.914 239 D CB 1.739 42.294 40.800 -0.407 0.000 1.461 239 D HN 0.125 nan 8.370 nan 0.000 0.462 240 F N -0.276 119.623 119.950 -0.085 0.000 2.686 240 F HA 0.849 5.376 4.527 -0.000 0.000 0.311 240 F C -1.823 173.731 175.800 -0.410 0.000 1.128 240 F CA -1.416 56.318 58.000 -0.443 0.000 0.946 240 F CB 0.714 39.086 39.000 -1.046 0.000 1.336 240 F HN 0.335 nan 8.300 nan 0.000 0.457 241 A N 2.500 124.738 122.820 -0.970 0.000 2.330 241 A HA 0.890 5.210 4.320 -0.000 0.000 0.329 241 A C -0.781 176.264 177.584 -0.898 0.000 1.135 241 A CA -0.613 50.906 52.037 -0.863 0.000 0.817 241 A CB 1.178 19.790 19.000 -0.647 0.000 1.269 241 A HN 1.314 nan 8.150 nan 0.000 0.469 242 I N -1.650 118.526 120.570 -0.656 0.000 2.846 242 I HA 0.873 5.043 4.170 -0.000 0.000 0.307 242 I C -0.474 175.501 176.117 -0.237 0.000 1.053 242 I CA -0.372 60.673 61.300 -0.426 0.000 1.050 242 I CB 2.339 40.117 38.000 -0.370 0.000 1.239 242 I HN 0.489 nan 8.210 nan 0.000 0.439 243 T N 2.978 117.456 114.554 -0.127 0.000 2.864 243 T HA 0.493 4.843 4.350 -0.000 0.000 0.289 243 T C -2.251 172.392 174.700 -0.095 0.000 1.082 243 T CA -1.333 60.724 62.100 -0.071 0.000 1.009 243 T CB 2.092 70.974 68.868 0.023 0.000 1.234 243 T HN 0.478 nan 8.240 nan 0.000 0.526 244 P HA -0.003 nan 4.420 nan 0.000 0.218 244 P C 0.625 177.773 177.300 -0.253 0.000 1.149 244 P CA 1.510 64.434 63.100 -0.294 0.000 0.817 244 P CB 0.120 31.556 31.700 -0.440 0.000 0.785 245 H N -4.805 114.200 119.070 -0.109 0.000 2.615 245 H HA 0.180 4.736 4.556 -0.000 0.000 0.275 245 H C 0.276 175.527 175.328 -0.128 0.000 0.981 245 H CA -0.136 55.839 56.048 -0.121 0.000 1.252 245 H CB 0.231 29.807 29.762 -0.310 0.000 1.447 245 H HN 0.116 nan 8.280 nan 0.000 0.498 246 Y N 0.145 120.533 120.300 0.147 0.000 2.567 246 Y HA 0.606 5.156 4.550 -0.000 0.000 0.333 246 Y C -0.265 175.625 175.900 -0.017 0.000 1.106 246 Y CA -1.437 56.704 58.100 0.068 0.000 1.157 246 Y CB 1.613 40.077 38.460 0.007 0.000 1.277 246 Y HN -0.028 nan 8.280 nan 0.000 0.490 247 A N 2.447 125.376 122.820 0.182 0.000 2.318 247 A HA 0.739 5.059 4.320 -0.000 0.000 0.317 247 A C -1.173 176.295 177.584 -0.194 0.000 1.159 247 A CA -0.637 51.382 52.037 -0.029 0.000 0.799 247 A CB 0.202 19.299 19.000 0.162 0.000 1.194 247 A HN 0.683 nan 8.150 nan 0.000 0.479 248 I N 2.401 122.684 120.570 -0.478 0.000 2.354 248 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 248 I C -1.343 174.363 176.117 -0.684 0.000 1.007 248 I CA -0.156 60.855 61.300 -0.483 0.000 1.167 248 I CB 0.864 38.596 38.000 -0.447 0.000 1.320 248 I HN 0.512 nan 8.210 nan 0.000 0.458 249 F N 6.499 126.325 119.950 -0.206 0.000 2.388 249 F HA 0.443 4.970 4.527 -0.000 0.000 0.358 249 F C -0.012 175.658 175.800 -0.217 0.000 1.122 249 F CA -0.565 57.294 58.000 -0.235 0.000 1.056 249 F CB 1.438 40.272 39.000 -0.277 0.000 1.155 249 F HN 0.347 nan 8.300 nan 0.000 0.461 250 L N 5.151 126.345 121.223 -0.049 0.000 2.264 250 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 250 L C -0.488 176.345 176.870 -0.061 0.000 1.044 250 L CA -0.383 54.409 54.840 -0.080 0.000 0.807 250 L CB 0.940 42.963 42.059 -0.059 0.000 1.192 250 L HN 0.699 nan 8.230 nan 0.000 0.425 251 Q N 3.614 123.373 119.800 -0.070 0.000 2.381 251 Q HA 0.368 4.708 4.340 -0.000 0.000 0.263 251 Q C -1.073 174.932 176.000 0.009 0.000 1.030 251 Q CA -0.651 55.130 55.803 -0.036 0.000 0.772 251 Q CB 0.885 29.596 28.738 -0.045 0.000 1.232 251 Q HN 0.638 nan 8.270 nan 0.000 0.476 252 N N 2.404 121.124 118.700 0.033 0.000 2.453 252 N HA 0.001 4.741 4.740 -0.000 0.000 0.253 252 N C -0.671 175.037 175.510 0.329 0.000 1.252 252 N CA -0.113 53.044 53.050 0.178 0.000 0.917 252 N CB 0.452 39.003 38.487 0.106 0.000 1.117 252 N HN 0.632 nan 8.380 nan 0.000 0.442 253 N N 0.770 119.705 118.700 0.391 0.000 2.406 253 N HA 0.198 4.938 4.740 -0.000 0.000 0.265 253 N C -1.263 174.573 175.510 0.544 0.000 1.203 253 N CA -0.439 52.823 53.050 0.352 0.000 0.945 253 N CB 0.215 38.835 38.487 0.221 0.000 1.165 253 N HN 0.265 nan 8.380 nan 0.000 0.485 254 V N 0.459 120.689 119.914 0.527 0.000 2.925 254 V HA 0.768 4.888 4.120 -0.000 0.000 0.311 254 V C -0.005 176.419 176.094 0.550 0.000 1.104 254 V CA -0.911 61.736 62.300 0.579 0.000 0.954 254 V CB 1.385 33.588 31.823 0.633 0.000 1.022 254 V HN 0.561 nan 8.190 nan 0.000 0.427 255 T N 1.388 116.215 114.554 0.456 0.000 2.916 255 T HA 0.850 5.200 4.350 -0.000 0.000 0.292 255 T C -1.071 173.652 174.700 0.038 0.000 1.055 255 T CA -0.706 61.581 62.100 0.312 0.000 1.009 255 T CB 1.885 70.944 68.868 0.319 0.000 1.118 255 T HN 1.330 nan 8.240 nan 0.000 0.497 256 L N 1.208 122.344 121.223 -0.144 0.000 2.362 256 L HA 0.715 5.055 4.340 -0.000 0.000 0.271 256 L C -0.875 175.900 176.870 -0.159 0.000 1.002 256 L CA -0.595 54.017 54.840 -0.381 0.000 0.818 256 L CB 1.989 43.507 42.059 -0.903 0.000 1.298 256 L HN 0.993 nan 8.230 nan 0.000 0.420 257 N N 2.413 121.037 118.700 -0.128 0.000 2.577 257 N HA 0.412 5.152 4.740 -0.000 0.000 0.275 257 N C 0.138 175.640 175.510 -0.013 0.000 1.091 257 N CA -0.046 52.980 53.050 -0.041 0.000 0.843 257 N CB 1.405 39.883 38.487 -0.015 0.000 1.295 257 N HN 0.861 nan 8.380 nan 0.000 0.530 258 G N 2.524 111.344 108.800 0.034 0.000 3.141 258 G HA2 0.041 4.001 3.960 -0.000 0.000 0.218 258 G HA3 0.041 4.001 3.960 -0.000 0.000 0.218 258 G C 1.293 176.307 174.900 0.190 0.000 1.170 258 G CA -0.062 45.116 45.100 0.131 0.000 0.769 258 G HN 0.523 nan 8.290 nan 0.000 0.546 259 L N 0.615 121.927 121.223 0.148 0.000 2.012 259 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 259 L C 0.027 177.032 176.870 0.225 0.000 1.073 259 L CA 1.441 56.403 54.840 0.202 0.000 0.748 259 L CB -1.049 41.053 42.059 0.073 0.000 0.891 259 L HN 0.139 nan 8.230 nan 0.000 0.431 260 P HA -0.211 nan 4.420 nan 0.000 0.217 260 P C 1.276 178.675 177.300 0.166 0.000 1.150 260 P CA 1.261 64.426 63.100 0.109 0.000 0.832 260 P CB -0.066 31.671 31.700 0.061 0.000 0.787 261 Y N 0.897 121.233 120.300 0.059 0.000 2.184 261 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 261 Y C 2.055 177.978 175.900 0.038 0.000 1.129 261 Y CA 0.926 59.048 58.100 0.038 0.000 1.144 261 Y CB -1.197 37.271 38.460 0.013 0.000 0.995 261 Y HN -0.217 nan 8.280 nan 0.000 0.513 262 L N -0.358 120.755 121.223 -0.182 0.000 2.042 262 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 262 L C 1.357 177.900 176.870 -0.545 0.000 1.076 262 L CA 1.915 56.547 54.840 -0.348 0.000 0.749 262 L CB -1.106 40.920 42.059 -0.055 0.000 0.893 262 L HN 0.151 nan 8.230 nan 0.000 0.432 263 F N 1.098 120.832 119.950 -0.360 0.000 2.725 263 F HA 0.361 4.888 4.527 -0.000 0.000 0.303 263 F C 1.823 177.466 175.800 -0.262 0.000 1.167 263 F CA 0.269 57.996 58.000 -0.456 0.000 1.403 263 F CB -0.841 38.002 39.000 -0.263 0.000 1.077 263 F HN 0.257 nan 8.300 nan 0.000 0.537 264 G N 0.535 109.257 108.800 -0.131 0.000 2.225 264 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.267 264 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.267 264 G C 0.983 175.930 174.900 0.079 0.000 1.024 264 G CA 0.618 45.695 45.100 -0.039 0.000 0.784 264 G HN 0.494 nan 8.290 nan 0.000 0.507 265 L N -1.349 119.932 121.223 0.096 0.000 2.354 265 L HA 0.305 4.645 4.340 -0.000 0.000 0.212 265 L C 1.723 178.649 176.870 0.093 0.000 1.091 265 L CA 1.306 56.203 54.840 0.095 0.000 0.828 265 L CB -0.146 41.951 42.059 0.064 0.000 0.973 265 L HN 0.627 nan 8.230 nan 0.000 0.461 266 R N -1.289 119.282 120.500 0.119 0.000 2.747 266 R HA 0.555 4.895 4.340 -0.000 0.000 0.272 266 R C -0.417 175.990 176.300 0.178 0.000 1.032 266 R CA -0.672 55.499 56.100 0.120 0.000 0.896 266 R CB 0.403 30.751 30.300 0.080 0.000 1.253 266 R HN -0.150 nan 8.270 nan 0.000 0.461 267 G N -0.622 108.249 108.800 0.119 0.000 2.569 267 G HA2 0.379 4.339 3.960 -0.000 0.000 0.249 267 G HA3 0.379 4.339 3.960 -0.000 0.000 0.249 267 G C 0.845 175.688 174.900 -0.095 0.000 1.216 267 G CA -0.307 44.834 45.100 0.067 0.000 0.845 267 G HN 0.740 nan 8.290 nan 0.000 0.568 268 A N 0.895 123.443 122.820 -0.452 0.000 1.908 268 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 268 A C 2.527 179.860 177.584 -0.419 0.000 1.181 268 A CA 2.292 53.877 52.037 -0.753 0.000 0.627 268 A CB -0.826 17.508 19.000 -1.109 0.000 0.818 268 A HN 1.101 nan 8.150 nan 0.000 0.445 269 G N -0.766 107.774 108.800 -0.433 0.000 2.598 269 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.215 269 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.215 269 G C 1.035 175.817 174.900 -0.197 0.000 1.131 269 G CA 0.654 45.501 45.100 -0.422 0.000 0.785 269 G HN 0.699 nan 8.290 nan 0.000 0.539 270 E N -0.663 119.461 120.200 -0.127 0.000 2.437 270 E HA 0.114 4.463 4.350 -0.000 0.000 0.189 270 E C 0.646 177.207 176.600 -0.065 0.000 1.054 270 E CA -0.349 56.020 56.400 -0.051 0.000 0.874 270 E CB 0.271 29.974 29.700 0.005 0.000 1.011 270 E HN 0.333 nan 8.360 nan 0.000 0.474 271 C N 1.129 120.362 119.300 -0.111 0.000 2.884 271 C HA 0.178 4.638 4.460 -0.000 0.000 0.287 271 C C 0.738 175.635 174.990 -0.155 0.000 1.310 271 C CA -0.622 58.333 59.018 -0.105 0.000 1.725 271 C CB -0.808 26.878 27.740 -0.091 0.000 2.060 271 C HN 0.180 nan 8.230 nan 0.000 0.618 272 V N -0.330 119.492 119.914 -0.153 0.000 2.513 272 V HA 0.550 4.670 4.120 -0.000 0.000 0.299 272 V C -0.766 175.286 176.094 -0.071 0.000 1.035 272 V CA -0.440 61.778 62.300 -0.137 0.000 0.889 272 V CB 1.654 33.416 31.823 -0.101 0.000 0.988 272 V HN 0.342 nan 8.190 nan 0.000 0.440 273 Q N 2.957 122.733 119.800 -0.040 0.000 2.322 273 Q HA 0.481 4.821 4.340 -0.000 0.000 0.265 273 Q C -1.770 174.152 176.000 -0.130 0.000 0.985 273 Q CA -0.734 54.998 55.803 -0.118 0.000 0.849 273 Q CB 1.956 30.593 28.738 -0.170 0.000 1.274 273 Q HN 0.853 nan 8.270 nan 0.000 0.449 274 F N 4.456 124.237 119.950 -0.282 0.000 2.404 274 F HA 0.302 4.829 4.527 -0.000 0.000 0.345 274 F C -0.752 174.854 175.800 -0.323 0.000 1.110 274 F CA -0.492 57.411 58.000 -0.163 0.000 1.130 274 F CB 0.724 39.663 39.000 -0.102 0.000 1.129 274 F HN 0.549 nan 8.300 nan 0.000 0.500 275 H N 7.816 126.615 119.070 -0.452 0.000 2.539 275 H HA 0.211 4.767 4.556 -0.000 0.000 0.247 275 H C -1.947 172.936 175.328 -0.742 0.000 1.363 275 H CA -1.589 54.173 56.048 -0.477 0.000 1.371 275 H CB 0.544 30.204 29.762 -0.170 0.000 1.438 275 H HN 0.483 nan 8.280 nan 0.000 0.523 276 P HA -0.142 nan 4.420 nan 0.000 0.228 276 P C 0.962 178.143 177.300 -0.198 0.000 1.151 276 P CA 0.866 63.594 63.100 -0.619 0.000 0.770 276 P CB 0.365 31.833 31.700 -0.388 0.000 0.786 277 D N -0.512 119.798 120.400 -0.149 0.000 2.312 277 D HA -0.073 4.567 4.640 -0.000 0.000 0.211 277 D C 0.438 176.713 176.300 -0.041 0.000 0.964 277 D CA 0.735 54.699 54.000 -0.060 0.000 0.877 277 D CB -0.197 40.582 40.800 -0.034 0.000 0.924 277 D HN 0.212 nan 8.370 nan 0.000 0.515 278 K N 1.120 121.494 120.400 -0.044 0.000 2.208 278 K HA 0.412 4.732 4.320 -0.000 0.000 0.247 278 K C -2.583 174.015 176.600 -0.004 0.000 0.953 278 K CA -2.167 54.106 56.287 -0.024 0.000 0.837 278 K CB 1.885 34.368 32.500 -0.030 0.000 1.131 278 K HN -0.075 nan 8.250 nan 0.000 0.431 279 P HA 0.033 nan 4.420 nan 0.000 0.271 279 P C -1.018 176.290 177.300 0.013 0.000 1.216 279 P CA -0.210 62.889 63.100 -0.002 0.000 0.776 279 P CB 0.959 32.649 31.700 -0.017 0.000 0.881 280 A N 2.827 125.652 122.820 0.008 0.000 2.272 280 A HA 0.446 4.766 4.320 -0.000 0.000 0.275 280 A C -0.056 177.493 177.584 -0.057 0.000 1.096 280 A CA -0.117 51.921 52.037 0.002 0.000 0.822 280 A CB 0.108 19.096 19.000 -0.019 0.000 1.088 280 A HN 0.497 nan 8.150 nan 0.000 0.495 281 Q N 0.090 119.844 119.800 -0.076 0.000 2.309 281 Q HA 0.548 4.888 4.340 -0.000 0.000 0.270 281 Q C -1.411 174.508 176.000 -0.136 0.000 1.023 281 Q CA 0.040 55.780 55.803 -0.105 0.000 0.758 281 Q CB 1.130 29.808 28.738 -0.100 0.000 1.247 281 Q HN 0.564 nan 8.270 nan 0.000 0.455 282 I N 4.956 125.427 120.570 -0.164 0.000 2.308 282 I HA 0.251 4.420 4.170 -0.000 0.000 0.293 282 I C 0.032 176.054 176.117 -0.158 0.000 1.078 282 I CA -0.286 60.900 61.300 -0.190 0.000 1.292 282 I CB 0.289 38.146 38.000 -0.239 0.000 1.423 282 I HN 0.449 nan 8.210 nan 0.000 0.493 283 I N 7.028 127.524 120.570 -0.123 0.000 2.291 283 I HA 0.278 4.447 4.170 -0.000 0.000 0.290 283 I C -0.287 175.789 176.117 -0.067 0.000 1.050 283 I CA -0.354 60.894 61.300 -0.088 0.000 1.245 283 I CB 0.335 38.291 38.000 -0.073 0.000 1.405 283 I HN 0.464 nan 8.210 nan 0.000 0.478 284 L N 6.906 128.055 121.223 -0.123 0.000 2.282 284 L HA 0.322 4.662 4.340 -0.000 0.000 0.287 284 L C -0.156 176.735 176.870 0.035 0.000 1.075 284 L CA -0.496 54.231 54.840 -0.190 0.000 0.839 284 L CB 1.119 42.894 42.059 -0.474 0.000 1.219 284 L HN 0.387 nan 8.230 nan 0.000 0.434 285 V N 5.695 125.717 119.914 0.180 0.000 2.311 285 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 285 V C -1.935 174.360 176.094 0.335 0.000 1.022 285 V CA -1.824 60.625 62.300 0.249 0.000 0.830 285 V CB 1.095 33.078 31.823 0.267 0.000 1.012 285 V HN 0.530 nan 8.190 nan 0.000 0.452 286 P HA 0.105 nan 4.420 nan 0.000 0.260 286 P C 0.616 177.954 177.300 0.064 0.000 1.185 286 P CA 0.196 63.348 63.100 0.085 0.000 0.763 286 P CB 0.627 32.329 31.700 0.003 0.000 0.776 287 R N 2.581 123.141 120.500 0.101 0.000 2.193 287 R HA -0.139 4.201 4.340 -0.000 0.000 0.229 287 R C 1.408 177.620 176.300 -0.146 0.000 1.110 287 R CA 1.691 57.867 56.100 0.126 0.000 0.988 287 R CB -0.195 30.370 30.300 0.441 0.000 0.871 287 R HN 0.577 nan 8.270 nan 0.000 0.458 288 D N -1.363 118.846 120.400 -0.320 0.000 2.349 288 D HA 0.114 4.754 4.640 -0.000 0.000 0.214 288 D C 0.502 176.650 176.300 -0.252 0.000 1.063 288 D CA 0.631 54.319 54.000 -0.520 0.000 0.847 288 D CB 0.400 40.795 40.800 -0.675 0.000 0.933 288 D HN 0.150 nan 8.370 nan 0.000 0.513 289 G N -1.397 107.321 108.800 -0.137 0.000 2.617 289 G HA2 0.486 4.446 3.960 -0.000 0.000 0.686 289 G HA3 0.486 4.446 3.960 -0.000 0.000 0.686 289 G C -0.051 174.812 174.900 -0.062 0.000 1.214 289 G CA -0.173 44.880 45.100 -0.079 0.000 0.796 289 G HN 1.177 nan 8.290 nan 0.000 0.654 290 G N -0.268 108.515 108.800 -0.028 0.000 2.316 290 G HA2 0.613 4.572 3.960 -0.000 0.000 0.468 290 G HA3 0.613 4.572 3.960 -0.000 0.000 0.468 290 G C -0.400 174.509 174.900 0.015 0.000 1.523 290 G CA 0.501 45.593 45.100 -0.013 0.000 0.972 290 G HN 2.191 nan 8.290 nan 0.000 0.667 291 E N 0.481 120.692 120.200 0.019 0.000 2.299 291 E HA 0.440 4.790 4.350 -0.000 0.000 0.272 291 E C 0.900 177.528 176.600 0.046 0.000 1.043 291 E CA -0.657 55.757 56.400 0.023 0.000 0.895 291 E CB 1.049 30.756 29.700 0.012 0.000 1.011 291 E HN 1.245 nan 8.360 nan 0.000 0.432 292 I N 0.837 121.430 120.570 0.039 0.000 2.754 292 I HA 0.112 4.282 4.170 -0.000 0.000 0.285 292 I C -0.546 175.577 176.117 0.011 0.000 1.166 292 I CA -0.250 61.078 61.300 0.047 0.000 1.417 292 I CB 0.693 38.707 38.000 0.023 0.000 1.382 292 I HN 0.376 nan 8.210 nan 0.000 0.588 293 K N 6.740 127.137 120.400 -0.005 0.000 2.182 293 K HA 0.524 4.844 4.320 -0.000 0.000 0.262 293 K C -0.939 175.612 176.600 -0.082 0.000 0.957 293 K CA -0.701 55.560 56.287 -0.043 0.000 0.842 293 K CB 1.686 34.156 32.500 -0.051 0.000 1.099 293 K HN 0.660 nan 8.250 nan 0.000 0.438 294 R N 3.095 123.546 120.500 -0.081 0.000 2.310 294 R HA 0.471 4.811 4.340 -0.000 0.000 0.324 294 R C -0.367 175.878 176.300 -0.093 0.000 0.955 294 R CA -0.525 55.516 56.100 -0.098 0.000 0.830 294 R CB 0.794 31.034 30.300 -0.102 0.000 1.154 294 R HN 0.513 nan 8.270 nan 0.000 0.458 295 I N 4.715 125.220 120.570 -0.109 0.000 2.436 295 I HA 0.367 4.536 4.170 -0.000 0.000 0.289 295 I C -2.216 173.839 176.117 -0.104 0.000 1.010 295 I CA -2.514 58.727 61.300 -0.098 0.000 1.098 295 I CB 2.495 40.431 38.000 -0.106 0.000 1.266 295 I HN 0.285 nan 8.210 nan 0.000 0.434 296 P HA 0.318 nan 4.420 nan 0.000 0.290 296 P C -0.922 176.333 177.300 -0.075 0.000 1.276 296 P CA -0.299 62.756 63.100 -0.075 0.000 0.808 296 P CB 1.782 33.451 31.700 -0.051 0.000 0.966 297 V N 1.004 120.863 119.914 -0.090 0.000 3.126 297 V HA 0.559 4.679 4.120 -0.000 0.000 0.314 297 V C -0.320 175.748 176.094 -0.043 0.000 1.138 297 V CA -1.063 61.192 62.300 -0.075 0.000 1.034 297 V CB 1.723 33.448 31.823 -0.163 0.000 1.075 297 V HN 0.389 nan 8.190 nan 0.000 0.442 298 Q N 0.109 119.900 119.800 -0.016 0.000 2.363 298 Q HA 0.750 5.090 4.340 -0.000 0.000 0.265 298 Q C 0.081 176.074 176.000 -0.012 0.000 1.032 298 Q CA 0.071 55.871 55.803 -0.004 0.000 0.746 298 Q CB 1.744 30.482 28.738 -0.000 0.000 1.237 298 Q HN 1.049 nan 8.270 nan 0.000 0.475 299 A N 2.440 125.260 122.820 -0.001 0.000 2.377 299 A HA 0.617 4.937 4.320 -0.000 0.000 0.209 299 A C 0.602 178.170 177.584 -0.025 0.000 1.359 299 A CA 0.389 52.398 52.037 -0.047 0.000 1.026 299 A CB 0.551 19.556 19.000 0.008 0.000 1.224 299 A HN 0.895 nan 8.150 nan 0.000 0.528 300 G N -0.823 108.081 108.800 0.173 0.000 2.733 300 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.686 300 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.686 300 G C -0.378 174.735 174.900 0.355 0.000 1.373 300 G CA -0.366 44.943 45.100 0.349 0.000 0.838 300 G HN 0.985 nan 8.290 nan 0.000 0.588 301 F N 0.846 120.861 119.950 0.108 0.000 2.355 301 F HA 0.224 4.750 4.527 -0.000 0.000 0.365 301 F C 1.406 177.254 175.800 0.080 0.000 1.075 301 F CA 0.523 58.408 58.000 -0.191 0.000 0.959 301 F CB 0.139 38.815 39.000 -0.541 0.000 0.913 301 F HN 0.405 nan 8.300 nan 0.000 0.539 302 V N 8.572 128.374 119.914 -0.186 0.000 2.427 302 V HA -0.023 4.096 4.120 -0.000 0.000 0.268 302 V C 0.795 176.777 176.094 -0.187 0.000 1.046 302 V CA 0.270 62.522 62.300 -0.080 0.000 0.970 302 V CB 0.474 32.238 31.823 -0.098 0.000 1.001 302 V HN 0.854 nan 8.190 nan 0.000 0.476 303 F N 3.718 123.559 119.950 -0.183 0.000 2.482 303 F HA 0.348 4.875 4.527 -0.000 0.000 0.278 303 F C 1.064 176.722 175.800 -0.237 0.000 0.969 303 F CA 0.012 57.893 58.000 -0.198 0.000 1.223 303 F CB 0.613 39.640 39.000 0.045 0.000 1.140 303 F HN 0.436 nan 8.300 nan 0.000 0.672 304 H N 0.159 119.076 119.070 -0.255 0.000 2.529 304 H HA 0.314 4.869 4.556 -0.000 0.000 0.348 304 H C -1.007 174.111 175.328 -0.351 0.000 1.079 304 H CA -1.020 54.787 56.048 -0.401 0.000 1.198 304 H CB 0.953 30.659 29.762 -0.092 0.000 1.521 304 H HN 0.082 nan 8.280 nan 0.000 0.514 305 H N 1.578 120.665 119.070 0.029 0.000 2.502 305 H HA 0.207 4.762 4.556 -0.000 0.000 0.327 305 H C 0.345 175.692 175.328 0.031 0.000 1.099 305 H CA -0.009 56.049 56.048 0.016 0.000 1.323 305 H CB 2.022 31.730 29.762 -0.089 0.000 1.450 305 H HN 0.823 nan 8.280 nan 0.000 0.502 306 A N 3.166 126.096 122.820 0.184 0.000 1.850 306 A HA -0.039 4.281 4.320 -0.000 0.000 0.212 306 A C 0.819 178.425 177.584 0.036 0.000 1.208 306 A CA 1.225 53.350 52.037 0.147 0.000 0.609 306 A CB 0.081 19.209 19.000 0.213 0.000 0.860 306 A HN 0.704 nan 8.150 nan 0.000 0.448 307 N N -4.034 114.673 118.700 0.012 0.000 3.185 307 N HA 0.572 5.312 4.740 -0.000 0.000 0.238 307 N C -1.560 173.909 175.510 -0.068 0.000 1.451 307 N CA 0.357 53.317 53.050 -0.149 0.000 0.888 307 N CB 1.304 39.465 38.487 -0.544 0.000 1.413 307 N HN 0.590 nan 8.380 nan 0.000 0.511 308 A N 0.377 123.130 122.820 -0.113 0.000 2.572 308 A HA 0.844 5.164 4.320 -0.000 0.000 0.295 308 A C -1.775 175.810 177.584 0.001 0.000 1.072 308 A CA -0.502 51.458 52.037 -0.129 0.000 0.691 308 A CB 0.646 19.513 19.000 -0.222 0.000 1.291 308 A HN 0.858 nan 8.150 nan 0.000 0.404 309 F N -0.947 118.972 119.950 -0.051 0.000 2.719 309 F HA 0.697 5.224 4.527 -0.000 0.000 0.309 309 F C -0.791 174.997 175.800 -0.020 0.000 1.138 309 F CA -0.924 57.049 58.000 -0.045 0.000 0.943 309 F CB 0.980 39.973 39.000 -0.012 0.000 1.304 309 F HN 0.645 nan 8.300 nan 0.000 0.445 310 E N 0.917 121.252 120.200 0.226 0.000 2.214 310 E HA 0.553 4.903 4.350 -0.000 0.000 0.274 310 E C -1.439 175.309 176.600 0.247 0.000 0.977 310 E CA -0.862 55.624 56.400 0.144 0.000 0.827 310 E CB 2.710 32.462 29.700 0.086 0.000 1.130 310 E HN 0.765 nan 8.360 nan 0.000 0.394 311 E N 2.953 123.261 120.200 0.181 0.000 2.531 311 E HA 0.086 4.436 4.350 -0.000 0.000 0.323 311 E C -0.880 175.783 176.600 0.106 0.000 0.908 311 E CA -0.551 55.953 56.400 0.172 0.000 0.792 311 E CB 0.529 30.407 29.700 0.298 0.000 1.360 311 E HN 0.509 nan 8.360 nan 0.000 0.394 312 N N 3.374 122.120 118.700 0.076 0.000 2.816 312 N HA -0.177 4.563 4.740 -0.000 0.000 0.247 312 N C 0.594 176.136 175.510 0.052 0.000 1.100 312 N CA 2.432 55.515 53.050 0.056 0.000 0.687 312 N CB -1.381 37.135 38.487 0.048 0.000 1.003 312 N HN 1.337 nan 8.380 nan 0.000 0.554 313 G N -1.477 107.362 108.800 0.064 0.000 2.184 313 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 313 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 313 G C 0.183 175.115 174.900 0.053 0.000 0.975 313 G CA 1.109 46.248 45.100 0.065 0.000 0.642 313 G HN 0.659 nan 8.290 nan 0.000 0.536 314 K N -0.341 120.085 120.400 0.042 0.000 2.156 314 K HA 0.803 5.123 4.320 -0.000 0.000 0.250 314 K C 0.071 176.662 176.600 -0.015 0.000 0.955 314 K CA -0.662 55.630 56.287 0.007 0.000 0.855 314 K CB 1.603 34.103 32.500 0.000 0.000 1.101 314 K HN 0.156 nan 8.250 nan 0.000 0.434 315 I N 3.669 124.194 120.570 -0.075 0.000 2.389 315 I HA 0.355 4.525 4.170 -0.000 0.000 0.288 315 I C -0.796 175.189 176.117 -0.220 0.000 0.999 315 I CA -0.965 60.252 61.300 -0.139 0.000 1.129 315 I CB 1.308 39.206 38.000 -0.170 0.000 1.288 315 I HN 0.563 nan 8.210 nan 0.000 0.444 316 I N 7.333 127.654 120.570 -0.416 0.000 2.433 316 I HA 0.651 4.821 4.170 -0.000 0.000 0.292 316 I C -1.742 174.128 176.117 -0.412 0.000 1.001 316 I CA -0.499 60.519 61.300 -0.471 0.000 1.119 316 I CB 1.823 39.441 38.000 -0.638 0.000 1.289 316 I HN 0.502 nan 8.210 nan 0.000 0.438 317 L N 6.706 127.851 121.223 -0.130 0.000 2.406 317 L HA 0.636 4.976 4.340 -0.000 0.000 0.272 317 L C -1.811 175.177 176.870 0.197 0.000 0.980 317 L CA -0.052 54.792 54.840 0.007 0.000 0.831 317 L CB 1.680 43.737 42.059 -0.002 0.000 1.253 317 L HN 0.601 nan 8.230 nan 0.000 0.406 318 D N 3.729 124.241 120.400 0.186 0.000 2.303 318 D HA 0.631 5.271 4.640 -0.000 0.000 0.236 318 D C -0.882 175.592 176.300 0.289 0.000 1.068 318 D CA -0.043 54.092 54.000 0.225 0.000 0.830 318 D CB 1.813 42.753 40.800 0.235 0.000 1.109 318 D HN 0.578 nan 8.370 nan 0.000 0.496 319 S N 1.263 117.161 115.700 0.330 0.000 2.569 319 S HA 0.475 4.944 4.470 -0.000 0.000 0.280 319 S C -0.091 174.666 174.600 0.262 0.000 1.111 319 S CA -0.983 57.394 58.200 0.295 0.000 0.887 319 S CB 1.743 65.135 63.200 0.320 0.000 1.095 319 S HN 0.243 nan 8.310 nan 0.000 0.476 320 I N 2.041 122.737 120.570 0.210 0.000 2.421 320 I HA 0.192 4.361 4.170 -0.000 0.000 0.291 320 I C -0.033 176.207 176.117 0.204 0.000 1.089 320 I CA -0.310 61.111 61.300 0.202 0.000 1.354 320 I CB -0.618 37.526 38.000 0.239 0.000 1.413 320 I HN 0.702 nan 8.210 nan 0.000 0.513 321 C N 6.898 126.305 119.300 0.179 0.000 2.397 321 C HA 0.562 5.022 4.460 -0.000 0.000 0.343 321 C C -0.190 174.767 174.990 -0.055 0.000 1.188 321 C CA -0.763 58.344 59.018 0.147 0.000 1.992 321 C CB 1.154 28.926 27.740 0.053 0.000 2.358 321 C HN 0.562 nan 8.230 nan 0.000 0.518 322 Y N 0.991 121.399 120.300 0.180 0.000 2.331 322 Y HA 0.261 4.811 4.550 -0.000 0.000 0.334 322 Y C 1.116 177.116 175.900 0.167 0.000 0.960 322 Y CA -0.259 57.931 58.100 0.150 0.000 1.130 322 Y CB 0.964 39.464 38.460 0.065 0.000 1.164 322 Y HN 0.762 nan 8.280 nan 0.000 0.458 323 N N 1.470 120.325 118.700 0.257 0.000 2.289 323 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 323 N C -0.102 175.561 175.510 0.254 0.000 1.016 323 N CA 1.191 54.378 53.050 0.229 0.000 0.872 323 N CB 0.313 38.916 38.487 0.194 0.000 0.973 323 N HN 0.563 nan 8.380 nan 0.000 0.433 324 S N -1.598 114.255 115.700 0.256 0.000 2.615 324 S HA 0.480 4.950 4.470 -0.000 0.000 0.269 324 S C -1.549 173.134 174.600 0.138 0.000 1.161 324 S CA -1.123 57.215 58.200 0.231 0.000 0.817 324 S CB 0.731 64.021 63.200 0.150 0.000 1.131 324 S HN -0.004 nan 8.310 nan 0.000 0.467 325 L N 2.101 123.374 121.223 0.083 0.000 2.386 325 L HA 0.610 4.950 4.340 -0.000 0.000 0.271 325 L C -2.016 174.817 176.870 -0.061 0.000 0.993 325 L CA -1.942 52.845 54.840 -0.089 0.000 0.819 325 L CB 2.171 44.089 42.059 -0.236 0.000 1.294 325 L HN 0.723 nan 8.230 nan 0.000 0.414 326 P HA 0.106 nan 4.420 nan 0.000 0.271 326 P C -0.987 176.272 177.300 -0.069 0.000 1.244 326 P CA -0.487 62.569 63.100 -0.072 0.000 0.793 326 P CB 0.813 32.456 31.700 -0.095 0.000 0.984 327 Q N -0.243 119.528 119.800 -0.048 0.000 2.317 327 Q HA 0.274 4.613 4.340 -0.000 0.000 0.229 327 Q C -0.299 175.674 176.000 -0.045 0.000 0.984 327 Q CA -0.760 55.017 55.803 -0.044 0.000 0.911 327 Q CB 1.059 29.779 28.738 -0.030 0.000 1.217 327 Q HN 0.226 nan 8.270 nan 0.000 0.501 328 V N 2.019 121.910 119.914 -0.038 0.000 2.614 328 V HA -0.037 4.083 4.120 -0.000 0.000 0.291 328 V C 0.009 176.096 176.094 -0.011 0.000 1.049 328 V CA -0.025 62.261 62.300 -0.024 0.000 1.038 328 V CB 1.125 32.937 31.823 -0.018 0.000 0.980 328 V HN 0.609 nan 8.190 nan 0.000 0.481 329 D N 3.009 123.409 120.400 -0.000 0.000 2.392 329 D HA 0.280 4.919 4.640 -0.000 0.000 0.228 329 D C 1.132 177.443 176.300 0.019 0.000 1.074 329 D CA -0.192 53.811 54.000 0.004 0.000 0.838 329 D CB 1.771 42.572 40.800 0.002 0.000 1.067 329 D HN 0.631 nan 8.370 nan 0.000 0.511 330 T N 0.701 115.264 114.554 0.015 0.000 2.857 330 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 330 T C 0.346 175.063 174.700 0.027 0.000 1.048 330 T CA 0.618 62.732 62.100 0.024 0.000 1.139 330 T CB 0.119 68.997 68.868 0.015 0.000 0.874 330 T HN 0.373 nan 8.240 nan 0.000 0.455 331 D N 1.838 122.248 120.400 0.018 0.000 2.590 331 D HA 0.542 5.182 4.640 -0.000 0.000 0.280 331 D C 0.304 176.610 176.300 0.011 0.000 1.197 331 D CA -0.014 53.996 54.000 0.016 0.000 0.967 331 D CB 0.835 41.641 40.800 0.010 0.000 0.987 331 D HN 0.534 nan 8.370 nan 0.000 0.508 332 G N 1.301 110.111 108.800 0.015 0.000 2.338 332 G HA2 0.382 4.341 3.960 -0.000 0.000 0.295 332 G HA3 0.382 4.341 3.960 -0.000 0.000 0.295 332 G C -2.002 172.905 174.900 0.012 0.000 1.461 332 G CA -0.799 44.304 45.100 0.004 0.000 0.817 332 G HN 0.212 nan 8.290 nan 0.000 0.556 333 D N -1.922 118.467 120.400 -0.017 0.000 2.592 333 D HA 0.519 5.159 4.640 -0.000 0.000 0.263 333 D C 1.196 177.461 176.300 -0.058 0.000 1.132 333 D CA -0.669 53.326 54.000 -0.008 0.000 0.996 333 D CB 0.441 41.229 40.800 -0.021 0.000 1.442 333 D HN 0.742 nan 8.370 nan 0.000 0.486 334 F N 0.277 120.165 119.950 -0.104 0.000 2.236 334 F HA -0.017 4.510 4.527 -0.000 0.000 0.302 334 F C 1.809 177.618 175.800 0.016 0.000 1.073 334 F CA 0.885 58.801 58.000 -0.140 0.000 1.336 334 F CB -0.551 38.221 39.000 -0.379 0.000 1.040 334 F HN 0.153 nan 8.300 nan 0.000 0.507 335 R N 0.937 120.938 120.500 -0.830 0.000 2.193 335 R HA -0.093 4.246 4.340 -0.000 0.000 0.229 335 R C 2.218 178.494 176.300 -0.041 0.000 1.110 335 R CA 1.341 57.162 56.100 -0.466 0.000 0.988 335 R CB -0.607 29.359 30.300 -0.556 0.000 0.871 335 R HN 0.568 nan 8.270 nan 0.000 0.458 336 S N -0.700 114.967 115.700 -0.055 0.000 2.593 336 S HA 0.033 4.503 4.470 -0.000 0.000 0.217 336 S C 0.575 175.193 174.600 0.029 0.000 0.966 336 S CA -0.319 57.886 58.200 0.008 0.000 0.914 336 S CB 0.082 63.271 63.200 -0.019 0.000 0.776 336 S HN -0.023 nan 8.310 nan 0.000 0.523 337 T N 4.710 119.286 114.554 0.035 0.000 2.819 337 T HA -0.001 4.349 4.350 -0.000 0.000 0.282 337 T C -0.107 174.546 174.700 -0.078 0.000 1.013 337 T CA 0.469 62.519 62.100 -0.084 0.000 1.159 337 T CB -0.227 68.525 68.868 -0.194 0.000 1.007 337 T HN 0.402 nan 8.240 nan 0.000 0.514 338 N N 2.529 121.173 118.700 -0.093 0.000 2.476 338 N HA 0.231 4.971 4.740 -0.000 0.000 0.257 338 N C 0.200 175.700 175.510 -0.017 0.000 0.970 338 N CA -0.814 52.245 53.050 0.015 0.000 0.938 338 N CB 0.340 38.844 38.487 0.028 0.000 1.144 338 N HN 0.459 nan 8.380 nan 0.000 0.500 339 F N 0.762 120.687 119.950 -0.042 0.000 2.604 339 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 339 F C 1.528 177.339 175.800 0.018 0.000 1.131 339 F CA 0.438 58.410 58.000 -0.047 0.000 1.457 339 F CB 0.431 39.364 39.000 -0.111 0.000 1.095 339 F HN 0.422 nan 8.300 nan 0.000 0.574 340 D N -0.421 120.101 120.400 0.203 0.000 2.317 340 D HA -0.072 4.568 4.640 -0.000 0.000 0.211 340 D C 1.214 177.568 176.300 0.090 0.000 0.966 340 D CA 0.681 54.767 54.000 0.144 0.000 0.876 340 D CB -0.239 40.635 40.800 0.123 0.000 0.927 340 D HN 0.308 nan 8.370 nan 0.000 0.519 341 N N 0.159 118.893 118.700 0.056 0.000 2.280 341 N HA 0.040 4.780 4.740 -0.000 0.000 0.192 341 N C -0.021 175.499 175.510 0.017 0.000 1.109 341 N CA 0.024 53.091 53.050 0.029 0.000 0.855 341 N CB 0.891 39.382 38.487 0.007 0.000 0.974 341 N HN 0.090 nan 8.380 nan 0.000 0.482 342 L N 0.675 121.912 121.223 0.023 0.000 2.330 342 L HA 0.386 4.726 4.340 -0.000 0.000 0.271 342 L C 0.058 176.983 176.870 0.091 0.000 1.013 342 L CA -0.710 54.142 54.840 0.020 0.000 0.816 342 L CB 1.303 43.331 42.059 -0.053 0.000 1.287 342 L HN -0.158 nan 8.230 nan 0.000 0.435 343 D N 2.212 122.687 120.400 0.126 0.000 2.193 343 D HA 0.440 5.080 4.640 -0.000 0.000 0.249 343 D C -2.255 174.172 176.300 0.212 0.000 1.034 343 D CA -1.058 53.038 54.000 0.159 0.000 0.902 343 D CB 1.371 42.270 40.800 0.165 0.000 1.182 343 D HN 0.248 nan 8.370 nan 0.000 0.436 344 P HA 0.263 nan 4.420 nan 0.000 0.278 344 P C -0.034 177.171 177.300 -0.158 0.000 1.258 344 P CA -0.586 62.568 63.100 0.090 0.000 0.811 344 P CB 0.751 32.493 31.700 0.070 0.000 1.063 345 G N 1.019 109.615 108.800 -0.341 0.000 2.390 345 G HA2 0.438 4.398 3.960 -0.000 0.000 0.270 345 G HA3 0.438 4.398 3.960 -0.000 0.000 0.270 345 G C -0.851 173.914 174.900 -0.226 0.000 1.211 345 G CA -0.384 44.261 45.100 -0.758 0.000 0.842 345 G HN 0.492 nan 8.290 nan 0.000 0.519 346 Q N 0.461 120.194 119.800 -0.112 0.000 2.359 346 Q HA 0.343 4.683 4.340 -0.000 0.000 0.274 346 Q C -1.222 174.833 176.000 0.091 0.000 1.074 346 Q CA -1.016 54.785 55.803 -0.005 0.000 0.810 346 Q CB 2.947 31.677 28.738 -0.013 0.000 1.342 346 Q HN 0.444 nan 8.270 nan 0.000 0.427 347 L N 2.294 123.516 121.223 -0.002 0.000 2.369 347 L HA 0.302 4.641 4.340 -0.000 0.000 0.279 347 L C -1.547 175.293 176.870 -0.049 0.000 1.108 347 L CA 0.448 55.316 54.840 0.047 0.000 0.852 347 L CB 0.101 42.177 42.059 0.029 0.000 1.169 347 L HN 0.543 nan 8.230 nan 0.000 0.452 348 W N 5.183 126.414 121.300 -0.116 0.000 2.647 348 W HA 0.607 5.267 4.660 -0.000 0.000 0.353 348 W C -0.135 176.164 176.519 -0.366 0.000 1.080 348 W CA -0.691 56.482 57.345 -0.286 0.000 1.208 348 W CB 1.117 30.310 29.460 -0.445 0.000 1.396 348 W HN 0.293 nan 8.180 nan 0.000 0.573 349 R N 2.404 122.803 120.500 -0.168 0.000 2.393 349 R HA 0.458 4.798 4.340 -0.000 0.000 0.315 349 R C -1.665 174.454 176.300 -0.301 0.000 0.952 349 R CA -0.620 55.377 56.100 -0.170 0.000 0.842 349 R CB 0.510 30.766 30.300 -0.072 0.000 1.163 349 R HN 0.397 nan 8.270 nan 0.000 0.450 350 F N 1.781 121.762 119.950 0.053 0.000 2.410 350 F HA 0.300 4.827 4.527 -0.000 0.000 0.349 350 F C 0.584 176.349 175.800 -0.057 0.000 1.117 350 F CA -0.445 57.558 58.000 0.005 0.000 1.104 350 F CB 2.236 41.222 39.000 -0.023 0.000 1.122 350 F HN 0.250 nan 8.300 nan 0.000 0.483 351 T N 5.457 120.077 114.554 0.109 0.000 2.874 351 T HA 0.536 4.886 4.350 -0.000 0.000 0.321 351 T C -0.154 174.558 174.700 0.020 0.000 1.075 351 T CA -0.307 61.806 62.100 0.021 0.000 0.966 351 T CB -0.115 68.758 68.868 0.009 0.000 1.001 351 T HN 0.272 nan 8.240 nan 0.000 0.476 352 I N 2.801 123.358 120.570 -0.022 0.000 2.359 352 I HA 0.313 4.482 4.170 -0.000 0.000 0.294 352 I C 0.171 176.257 176.117 -0.052 0.000 0.987 352 I CA -0.613 60.660 61.300 -0.046 0.000 1.225 352 I CB 1.302 39.242 38.000 -0.100 0.000 1.366 352 I HN 0.369 nan 8.210 nan 0.000 0.466 353 D N 8.564 128.941 120.400 -0.038 0.000 2.493 353 D HA 0.284 4.924 4.640 -0.000 0.000 0.235 353 D C -1.750 174.528 176.300 -0.036 0.000 1.117 353 D CA -2.298 51.687 54.000 -0.026 0.000 0.930 353 D CB 1.242 42.036 40.800 -0.010 0.000 1.010 353 D HN 0.145 nan 8.370 nan 0.000 0.514 354 P HA -0.193 nan 4.420 nan 0.000 0.217 354 P C 1.001 178.290 177.300 -0.019 0.000 1.151 354 P CA 1.325 64.390 63.100 -0.058 0.000 0.849 354 P CB 0.337 32.007 31.700 -0.050 0.000 0.787 355 A N 0.305 123.127 122.820 0.002 0.000 1.832 355 A HA -0.039 4.280 4.320 -0.000 0.000 0.214 355 A C 2.307 179.890 177.584 -0.001 0.000 1.200 355 A CA 2.125 54.167 52.037 0.009 0.000 0.610 355 A CB -1.647 17.363 19.000 0.017 0.000 0.842 355 A HN 0.199 nan 8.150 nan 0.000 0.444 356 A N -1.358 121.460 122.820 -0.003 0.000 2.239 356 A HA 0.433 4.753 4.320 -0.000 0.000 0.209 356 A C 1.374 178.950 177.584 -0.013 0.000 1.171 356 A CA 1.224 53.257 52.037 -0.006 0.000 0.768 356 A CB -1.265 17.733 19.000 -0.002 0.000 0.790 356 A HN 2.169 nan 8.150 nan 0.000 0.478 357 A N -1.301 121.506 122.820 -0.022 0.000 2.610 357 A HA -0.108 4.212 4.320 -0.000 0.000 0.299 357 A C 0.462 178.028 177.584 -0.030 0.000 1.487 357 A CA 1.224 53.241 52.037 -0.033 0.000 0.743 357 A CB -2.374 16.608 19.000 -0.030 0.000 1.070 357 A HN 0.689 nan 8.150 nan 0.000 0.439 358 T N -0.999 113.538 114.554 -0.027 0.000 2.906 358 T HA 0.705 5.055 4.350 -0.000 0.000 0.295 358 T C -0.618 174.074 174.700 -0.014 0.000 1.061 358 T CA 0.264 62.355 62.100 -0.016 0.000 1.000 358 T CB 1.941 70.806 68.868 -0.005 0.000 1.103 358 T HN 1.730 nan 8.240 nan 0.000 0.486 359 V N 2.681 122.597 119.914 0.004 0.000 2.777 359 V HA 0.705 4.825 4.120 -0.000 0.000 0.306 359 V C -1.827 174.311 176.094 0.072 0.000 1.112 359 V CA -0.582 61.737 62.300 0.032 0.000 0.917 359 V CB 2.115 33.945 31.823 0.012 0.000 1.018 359 V HN 0.808 nan 8.190 nan 0.000 0.426 360 E N 4.484 124.743 120.200 0.098 0.000 2.238 360 E HA 0.544 4.894 4.350 -0.000 0.000 0.267 360 E C -1.257 175.424 176.600 0.135 0.000 0.887 360 E CA -0.686 55.773 56.400 0.098 0.000 0.769 360 E CB 2.313 32.048 29.700 0.058 0.000 1.187 360 E HN 0.849 nan 8.360 nan 0.000 0.416 361 K N 0.772 121.252 120.400 0.132 0.000 2.270 361 K HA 0.520 4.840 4.320 -0.000 0.000 0.255 361 K C -0.435 176.269 176.600 0.173 0.000 0.936 361 K CA -0.965 55.378 56.287 0.092 0.000 0.809 361 K CB 1.870 34.399 32.500 0.047 0.000 1.131 361 K HN 0.378 nan 8.250 nan 0.000 0.427 362 Q N 2.499 122.375 119.800 0.127 0.000 2.305 362 Q HA 0.333 4.673 4.340 -0.000 0.000 0.271 362 Q C -1.328 174.569 176.000 -0.172 0.000 1.046 362 Q CA -1.243 54.578 55.803 0.030 0.000 0.798 362 Q CB 1.572 30.285 28.738 -0.042 0.000 1.286 362 Q HN 0.577 nan 8.270 nan 0.000 0.435 363 L N 4.422 125.280 121.223 -0.608 0.000 2.410 363 L HA 0.189 4.528 4.340 -0.000 0.000 0.273 363 L C 0.249 176.786 176.870 -0.554 0.000 1.144 363 L CA 0.435 54.598 54.840 -1.128 0.000 0.863 363 L CB 0.504 41.801 42.059 -1.271 0.000 1.140 363 L HN 1.018 nan 8.230 nan 0.000 0.463 364 M N 4.688 124.015 119.600 -0.455 0.000 2.751 364 M HA 0.177 4.657 4.480 -0.000 0.000 0.252 364 M C 0.219 176.382 176.300 -0.228 0.000 1.264 364 M CA 0.616 55.760 55.300 -0.260 0.000 1.237 364 M CB -0.040 32.458 32.600 -0.171 0.000 1.242 364 M HN 0.453 nan 8.290 nan 0.000 0.525 365 V N 1.449 121.230 119.914 -0.222 0.000 2.409 365 V HA 0.342 4.462 4.120 -0.000 0.000 0.291 365 V C 0.720 176.703 176.094 -0.186 0.000 1.020 365 V CA -0.241 61.964 62.300 -0.160 0.000 0.848 365 V CB 1.633 33.407 31.823 -0.082 0.000 0.990 365 V HN 0.486 nan 8.190 nan 0.000 0.430 366 S N 5.009 120.612 115.700 -0.162 0.000 2.478 366 S HA 0.110 4.580 4.470 -0.000 0.000 0.222 366 S C 1.132 175.690 174.600 -0.070 0.000 1.008 366 S CA 0.192 58.307 58.200 -0.141 0.000 0.928 366 S CB -0.250 62.871 63.200 -0.130 0.000 0.781 366 S HN 0.943 nan 8.310 nan 0.000 0.518 367 R N 1.250 121.720 120.500 -0.050 0.000 2.640 367 R HA 0.085 4.425 4.340 -0.000 0.000 0.270 367 R C -0.055 176.248 176.300 0.004 0.000 1.024 367 R CA -0.124 55.968 56.100 -0.013 0.000 1.085 367 R CB -0.121 30.175 30.300 -0.007 0.000 0.963 367 R HN 0.387 nan 8.270 nan 0.000 0.426 368 C N 6.798 126.115 119.300 0.028 0.000 2.592 368 C HA 0.276 4.736 4.460 -0.000 0.000 0.408 368 C C 0.444 175.472 174.990 0.064 0.000 1.436 368 C CA -0.455 58.589 59.018 0.044 0.000 1.595 368 C CB -2.181 25.599 27.740 0.067 0.000 2.487 368 C HN 0.789 nan 8.230 nan 0.000 0.610 369 C N 6.089 125.429 119.300 0.067 0.000 3.241 369 C HA 0.968 5.428 4.460 -0.000 0.000 0.312 369 C C -0.905 174.171 174.990 0.143 0.000 1.350 369 C CA -0.544 58.543 59.018 0.116 0.000 1.415 369 C CB 1.785 29.586 27.740 0.102 0.000 1.770 369 C HN 0.875 nan 8.230 nan 0.000 0.466 370 E N -1.008 119.317 120.200 0.208 0.000 2.449 370 E HA 0.468 4.818 4.350 -0.000 0.000 0.278 370 E C -0.874 175.917 176.600 0.318 0.000 1.059 370 E CA -0.667 55.846 56.400 0.187 0.000 0.854 370 E CB 1.191 30.892 29.700 0.002 0.000 1.465 370 E HN 0.951 nan 8.360 nan 0.000 0.462 371 F N -0.751 119.412 119.950 0.355 0.000 3.071 371 F HA -0.176 4.351 4.527 -0.000 0.000 0.295 371 F C -1.974 173.970 175.800 0.240 0.000 0.919 371 F CA 0.022 58.188 58.000 0.276 0.000 1.050 371 F CB -1.172 37.970 39.000 0.237 0.000 1.040 371 F HN 0.059 nan 8.300 nan 0.000 0.692 372 P HA 0.255 nan 4.420 nan 0.000 0.265 372 P C -0.202 177.270 177.300 0.286 0.000 1.193 372 P CA 0.354 63.630 63.100 0.293 0.000 0.765 372 P CB 1.863 33.704 31.700 0.235 0.000 0.823 373 V N 3.964 124.059 119.914 0.302 0.000 2.971 373 V HA 0.458 4.578 4.120 -0.000 0.000 0.309 373 V C -0.036 176.251 176.094 0.322 0.000 1.130 373 V CA -0.703 61.769 62.300 0.287 0.000 0.964 373 V CB 2.864 34.870 31.823 0.306 0.000 1.029 373 V HN 0.349 nan 8.190 nan 0.000 0.427 374 V N 2.203 122.250 119.914 0.220 0.000 3.156 374 V HA 0.529 4.648 4.120 -0.000 0.000 0.311 374 V C -0.762 175.368 176.094 0.061 0.000 1.208 374 V CA -0.809 61.598 62.300 0.178 0.000 1.063 374 V CB 2.359 34.184 31.823 0.002 0.000 1.098 374 V HN 0.911 nan 8.190 nan 0.000 0.452 375 H N 3.152 122.150 119.070 -0.121 0.000 2.899 375 H HA 0.200 4.756 4.556 -0.000 0.000 0.303 375 H C -1.898 173.425 175.328 -0.009 0.000 1.042 375 H CA -1.430 54.476 56.048 -0.237 0.000 1.479 375 H CB 1.776 31.370 29.762 -0.280 0.000 1.493 375 H HN 0.290 nan 8.280 nan 0.000 0.534 376 P HA -0.225 nan 4.420 nan 0.000 0.219 376 P C 1.279 178.728 177.300 0.248 0.000 1.153 376 P CA 1.242 64.455 63.100 0.188 0.000 0.865 376 P CB 0.393 32.207 31.700 0.190 0.000 0.788 377 Q N -1.277 118.797 119.800 0.457 0.000 2.488 377 Q HA -0.051 4.289 4.340 -0.000 0.000 0.211 377 Q C 1.595 177.641 176.000 0.077 0.000 0.967 377 Q CA 1.035 56.974 55.803 0.227 0.000 0.926 377 Q CB -0.171 28.658 28.738 0.152 0.000 0.992 377 Q HN 0.468 nan 8.270 nan 0.000 0.506 378 Q N -0.490 119.355 119.800 0.075 0.000 2.247 378 Q HA 0.134 4.474 4.340 -0.000 0.000 0.211 378 Q C 0.205 176.141 176.000 -0.106 0.000 0.861 378 Q CA -0.094 55.688 55.803 -0.035 0.000 0.949 378 Q CB 0.818 29.544 28.738 -0.020 0.000 1.115 378 Q HN 0.062 nan 8.270 nan 0.000 0.507 379 V N 1.667 121.536 119.914 -0.075 0.000 2.475 379 V HA 0.168 4.288 4.120 -0.000 0.000 0.292 379 V C 1.479 177.504 176.094 -0.114 0.000 1.003 379 V CA 1.472 63.699 62.300 -0.122 0.000 1.120 379 V CB -0.039 31.734 31.823 -0.083 0.000 0.937 379 V HN 0.688 nan 8.190 nan 0.000 0.476 380 G N 4.670 113.396 108.800 -0.124 0.000 2.241 380 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 380 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 380 G C 0.294 175.196 174.900 0.003 0.000 0.998 380 G CA 0.224 45.278 45.100 -0.076 0.000 0.621 380 G HN 0.622 nan 8.290 nan 0.000 0.519 381 R N 0.907 121.384 120.500 -0.037 0.000 2.691 381 R HA 0.646 4.986 4.340 -0.000 0.000 0.259 381 R C -2.580 173.604 176.300 -0.193 0.000 1.048 381 R CA -1.954 54.106 56.100 -0.068 0.000 1.086 381 R CB 0.614 30.853 30.300 -0.102 0.000 1.166 381 R HN 0.053 nan 8.270 nan 0.000 0.526 382 P HA 0.095 nan 4.420 nan 0.000 0.271 382 P C -1.532 175.552 177.300 -0.360 0.000 1.216 382 P CA 0.168 62.658 63.100 -1.016 0.000 0.776 382 P CB 0.349 31.584 31.700 -0.775 0.000 0.881 383 Y N -0.087 119.875 120.300 -0.562 0.000 2.615 383 Y HA 0.626 5.176 4.550 -0.000 0.000 0.341 383 Y C 0.664 176.368 175.900 -0.326 0.000 1.089 383 Y CA -1.132 56.773 58.100 -0.325 0.000 1.049 383 Y CB 1.650 40.002 38.460 -0.180 0.000 1.296 383 Y HN 0.086 nan 8.280 nan 0.000 0.470 384 R N -0.075 120.106 120.500 -0.532 0.000 2.257 384 R HA 0.296 4.636 4.340 -0.000 0.000 0.195 384 R C -1.095 174.660 176.300 -0.907 0.000 0.921 384 R CA 0.099 55.706 56.100 -0.822 0.000 1.069 384 R CB 0.436 30.119 30.300 -1.028 0.000 1.115 384 R HN 0.800 nan 8.270 nan 0.000 0.571 385 Y N -0.407 119.774 120.300 -0.198 0.000 2.393 385 Y HA 0.518 5.068 4.550 -0.000 0.000 0.341 385 Y C -0.547 175.245 175.900 -0.179 0.000 0.988 385 Y CA -1.057 56.888 58.100 -0.257 0.000 1.078 385 Y CB 2.369 40.679 38.460 -0.249 0.000 1.203 385 Y HN -0.317 nan 8.280 nan 0.000 0.453 386 V N 4.100 123.891 119.914 -0.204 0.000 2.789 386 V HA 0.575 4.695 4.120 -0.000 0.000 0.311 386 V C -1.892 173.994 176.094 -0.346 0.000 1.073 386 V CA -0.962 61.300 62.300 -0.063 0.000 0.921 386 V CB 1.650 33.568 31.823 0.157 0.000 1.009 386 V HN 0.684 nan 8.190 nan 0.000 0.426 387 Y N 5.905 126.319 120.300 0.189 0.000 2.393 387 Y HA 0.822 5.372 4.550 -0.000 0.000 0.341 387 Y C 0.212 176.230 175.900 0.196 0.000 0.988 387 Y CA -0.664 57.541 58.100 0.176 0.000 1.078 387 Y CB 2.220 40.787 38.460 0.179 0.000 1.203 387 Y HN 0.517 nan 8.280 nan 0.000 0.453 388 M N 1.059 120.843 119.600 0.307 0.000 2.569 388 M HA 0.553 5.033 4.480 -0.000 0.000 0.279 388 M C -0.071 176.401 176.300 0.288 0.000 1.253 388 M CA -0.821 54.659 55.300 0.299 0.000 0.867 388 M CB 2.600 35.343 32.600 0.237 0.000 1.727 388 M HN 0.839 nan 8.290 nan 0.000 0.467 389 G N 0.719 109.724 108.800 0.342 0.000 2.467 389 G HA2 0.723 4.683 3.960 -0.000 0.000 0.257 389 G HA3 0.723 4.683 3.960 -0.000 0.000 0.257 389 G C -1.126 173.929 174.900 0.259 0.000 1.227 389 G CA -0.187 45.102 45.100 0.316 0.000 0.835 389 G HN 0.844 nan 8.290 nan 0.000 0.556 390 A N 0.148 123.091 122.820 0.205 0.000 2.593 390 A HA 0.907 5.227 4.320 -0.000 0.000 0.290 390 A C 0.082 177.734 177.584 0.112 0.000 1.126 390 A CA -0.077 52.048 52.037 0.147 0.000 0.695 390 A CB 0.996 20.067 19.000 0.118 0.000 1.290 390 A HN 1.921 nan 8.150 nan 0.000 0.414 391 A N -0.785 122.079 122.820 0.073 0.000 2.313 391 A HA 0.486 4.806 4.320 -0.000 0.000 0.261 391 A C 0.714 178.332 177.584 0.057 0.000 1.090 391 A CA 0.617 52.674 52.037 0.033 0.000 0.807 391 A CB -0.123 18.888 19.000 0.019 0.000 1.055 391 A HN 1.501 nan 8.150 nan 0.000 0.492 392 H N -0.321 118.701 119.070 -0.080 0.000 2.436 392 H HA 0.047 4.602 4.556 -0.000 0.000 0.294 392 H C 0.178 175.526 175.328 0.034 0.000 1.048 392 H CA 1.366 57.370 56.048 -0.073 0.000 1.353 392 H CB -0.062 29.600 29.762 -0.165 0.000 1.414 392 H HN 0.670 nan 8.280 nan 0.000 0.536 393 H N -0.370 118.642 119.070 -0.097 0.000 2.525 393 H HA 0.133 4.689 4.556 -0.000 0.000 0.339 393 H C 1.454 176.730 175.328 -0.086 0.000 1.109 393 H CA 0.204 56.173 56.048 -0.131 0.000 1.352 393 H CB 1.623 31.371 29.762 -0.023 0.000 1.461 393 H HN 0.392 nan 8.280 nan 0.000 0.533 394 S N 0.502 116.216 115.700 0.024 0.000 2.515 394 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 394 S C 1.556 176.159 174.600 0.006 0.000 0.987 394 S CA 1.178 59.373 58.200 -0.008 0.000 0.936 394 S CB -0.190 62.984 63.200 -0.043 0.000 0.766 394 S HN 0.772 nan 8.310 nan 0.000 0.528 395 T N -1.502 113.070 114.554 0.029 0.000 3.111 395 T HA 0.440 4.790 4.350 -0.000 0.000 0.236 395 T C 1.528 176.264 174.700 0.060 0.000 0.984 395 T CA 0.485 62.602 62.100 0.028 0.000 1.195 395 T CB -0.907 67.963 68.868 0.003 0.000 0.929 395 T HN 0.367 nan 8.240 nan 0.000 0.431 396 G N 1.550 110.410 108.800 0.100 0.000 2.711 396 G HA2 0.304 4.264 3.960 -0.000 0.000 0.186 396 G HA3 0.304 4.264 3.960 -0.000 0.000 0.186 396 G C -0.409 174.559 174.900 0.113 0.000 1.635 396 G CA -0.564 44.602 45.100 0.111 0.000 1.065 396 G HN 0.713 nan 8.290 nan 0.000 0.545 397 N N -0.907 117.876 118.700 0.139 0.000 2.371 397 N HA 0.537 5.277 4.740 -0.000 0.000 0.291 397 N C -0.909 174.677 175.510 0.125 0.000 1.053 397 N CA -0.241 52.903 53.050 0.155 0.000 0.870 397 N CB 1.962 40.569 38.487 0.200 0.000 1.503 397 N HN 0.743 nan 8.380 nan 0.000 0.485 398 A N 3.419 126.204 122.820 -0.059 0.000 2.557 398 A HA 0.679 4.999 4.320 -0.000 0.000 0.292 398 A C -2.981 174.079 177.584 -0.873 0.000 1.139 398 A CA -0.919 50.767 52.037 -0.585 0.000 0.665 398 A CB 1.141 19.911 19.000 -0.383 0.000 1.285 398 A HN 0.442 nan 8.150 nan 0.000 0.433 399 P HA 0.372 nan 4.420 nan 0.000 0.269 399 P C -0.747 176.411 177.300 -0.238 0.000 1.215 399 P CA -0.010 62.615 63.100 -0.792 0.000 0.780 399 P CB 0.269 31.533 31.700 -0.726 0.000 0.898 400 L N 2.652 123.885 121.223 0.017 0.000 2.410 400 L HA 0.120 4.460 4.340 -0.000 0.000 0.273 400 L C 1.332 178.271 176.870 0.116 0.000 1.152 400 L CA 0.624 55.528 54.840 0.108 0.000 0.855 400 L CB -0.039 42.153 42.059 0.222 0.000 1.129 400 L HN 0.461 nan 8.230 nan 0.000 0.463 401 Q N 2.101 121.943 119.800 0.070 0.000 2.040 401 Q HA 0.367 4.707 4.340 -0.000 0.000 0.212 401 Q C -0.374 175.736 176.000 0.184 0.000 0.766 401 Q CA -0.154 55.658 55.803 0.015 0.000 0.967 401 Q CB 1.880 30.510 28.738 -0.180 0.000 1.202 401 Q HN 0.801 nan 8.270 nan 0.000 0.446 402 A N 0.549 123.498 122.820 0.215 0.000 2.564 402 A HA 0.786 5.106 4.320 -0.000 0.000 0.288 402 A C -1.541 176.204 177.584 0.269 0.000 1.164 402 A CA -0.483 51.708 52.037 0.256 0.000 0.712 402 A CB 1.213 20.300 19.000 0.144 0.000 1.303 402 A HN 0.094 nan 8.150 nan 0.000 0.418 403 I N 0.255 120.982 120.570 0.262 0.000 2.474 403 I HA 0.550 4.719 4.170 -0.000 0.000 0.294 403 I C -0.847 175.378 176.117 0.180 0.000 1.005 403 I CA -0.343 61.104 61.300 0.245 0.000 1.113 403 I CB 1.774 39.945 38.000 0.286 0.000 1.289 403 I HN 0.519 nan 8.210 nan 0.000 0.436 404 L N 7.013 128.346 121.223 0.183 0.000 2.356 404 L HA 0.579 4.919 4.340 -0.000 0.000 0.277 404 L C -0.640 176.306 176.870 0.128 0.000 0.996 404 L CA -0.395 54.523 54.840 0.130 0.000 0.822 404 L CB 1.162 43.282 42.059 0.103 0.000 1.256 404 L HN 0.576 nan 8.230 nan 0.000 0.413 405 K N 4.159 124.607 120.400 0.080 0.000 2.206 405 K HA 0.771 5.091 4.320 -0.000 0.000 0.264 405 K C -1.761 174.805 176.600 -0.056 0.000 0.967 405 K CA -0.636 55.641 56.287 -0.017 0.000 0.844 405 K CB 1.588 34.115 32.500 0.046 0.000 1.099 405 K HN 0.522 nan 8.250 nan 0.000 0.441 406 V N 3.336 123.179 119.914 -0.117 0.000 2.656 406 V HA 0.199 4.319 4.120 -0.000 0.000 0.307 406 V C -0.919 175.160 176.094 -0.025 0.000 1.051 406 V CA -0.908 61.353 62.300 -0.064 0.000 0.893 406 V CB 1.782 33.561 31.823 -0.072 0.000 0.999 406 V HN 0.851 nan 8.190 nan 0.000 0.426 407 D N 3.822 124.222 120.400 -0.001 0.000 2.396 407 D HA 0.319 4.959 4.640 -0.000 0.000 0.225 407 D C 0.851 177.060 176.300 -0.153 0.000 1.121 407 D CA -0.207 53.779 54.000 -0.022 0.000 0.853 407 D CB 1.590 42.421 40.800 0.052 0.000 1.043 407 D HN 0.463 nan 8.370 nan 0.000 0.500 408 L N 2.701 123.759 121.223 -0.275 0.000 2.376 408 L HA -0.044 4.295 4.340 -0.000 0.000 0.219 408 L C 2.093 178.825 176.870 -0.230 0.000 1.133 408 L CA 0.602 55.278 54.840 -0.272 0.000 0.816 408 L CB 0.047 41.861 42.059 -0.409 0.000 0.933 408 L HN 0.395 nan 8.230 nan 0.000 0.449 409 E N 0.081 120.133 120.200 -0.246 0.000 2.030 409 E HA -0.121 4.229 4.350 -0.000 0.000 0.189 409 E C 2.300 178.826 176.600 -0.123 0.000 0.974 409 E CA 1.510 57.798 56.400 -0.186 0.000 0.807 409 E CB 0.003 29.578 29.700 -0.207 0.000 0.771 409 E HN 0.468 nan 8.360 nan 0.000 0.451 410 S N -0.858 114.780 115.700 -0.103 0.000 2.470 410 S HA 0.127 4.597 4.470 -0.000 0.000 0.225 410 S C 1.707 176.269 174.600 -0.064 0.000 1.006 410 S CA 0.650 58.810 58.200 -0.067 0.000 0.934 410 S CB 0.588 63.764 63.200 -0.040 0.000 0.778 410 S HN 0.426 nan 8.310 nan 0.000 0.517 411 G N 0.871 109.625 108.800 -0.076 0.000 2.176 411 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.253 411 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.253 411 G C 0.156 175.023 174.900 -0.056 0.000 0.979 411 G CA 0.212 45.268 45.100 -0.073 0.000 0.641 411 G HN 0.647 nan 8.290 nan 0.000 0.530 412 T N 1.666 116.196 114.554 -0.039 0.000 2.817 412 T HA 0.430 4.779 4.350 -0.000 0.000 0.295 412 T C 0.293 174.982 174.700 -0.020 0.000 0.958 412 T CA 0.869 62.956 62.100 -0.023 0.000 1.157 412 T CB 1.105 69.971 68.868 -0.004 0.000 0.898 412 T HN 0.720 nan 8.240 nan 0.000 0.536 413 E N 2.256 122.441 120.200 -0.025 0.000 2.187 413 E HA 0.495 4.844 4.350 -0.000 0.000 0.268 413 E C -0.987 175.605 176.600 -0.013 0.000 0.896 413 E CA -0.952 55.435 56.400 -0.021 0.000 0.766 413 E CB 1.294 30.975 29.700 -0.031 0.000 1.142 413 E HN 0.548 nan 8.360 nan 0.000 0.408 414 T N 2.128 116.681 114.554 -0.003 0.000 2.841 414 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 414 T C -0.577 174.133 174.700 0.016 0.000 1.000 414 T CA -0.889 61.212 62.100 0.002 0.000 0.977 414 T CB 1.409 70.279 68.868 0.004 0.000 0.979 414 T HN 0.454 nan 8.240 nan 0.000 0.446 415 L N 1.576 122.802 121.223 0.005 0.000 2.362 415 L HA 0.697 5.037 4.340 -0.000 0.000 0.271 415 L C -0.449 176.409 176.870 -0.019 0.000 1.002 415 L CA -0.830 54.017 54.840 0.011 0.000 0.818 415 L CB 1.941 44.002 42.059 0.004 0.000 1.298 415 L HN 0.715 nan 8.230 nan 0.000 0.420 416 R N 3.238 123.718 120.500 -0.032 0.000 2.358 416 R HA 0.409 4.749 4.340 -0.000 0.000 0.309 416 R C -1.116 175.008 176.300 -0.294 0.000 1.026 416 R CA -0.203 55.795 56.100 -0.171 0.000 0.909 416 R CB 1.544 31.739 30.300 -0.174 0.000 1.153 416 R HN 0.776 nan 8.270 nan 0.000 0.515 417 S N 2.541 118.075 115.700 -0.275 0.000 2.616 417 S HA 0.397 4.867 4.470 -0.000 0.000 0.277 417 S C 0.081 174.374 174.600 -0.511 0.000 1.234 417 S CA -0.361 57.721 58.200 -0.197 0.000 1.028 417 S CB 0.512 63.781 63.200 0.114 0.000 0.988 417 S HN 0.538 nan 8.310 nan 0.000 0.522 418 F N 1.677 121.580 119.950 -0.079 0.000 2.729 418 F HA 0.432 4.959 4.527 -0.000 0.000 0.315 418 F C 1.112 176.783 175.800 -0.216 0.000 1.102 418 F CA -0.354 57.580 58.000 -0.110 0.000 1.204 418 F CB -0.045 38.910 39.000 -0.076 0.000 1.052 418 F HN 0.620 nan 8.300 nan 0.000 0.551 419 A N 2.025 124.717 122.820 -0.214 0.000 2.466 419 A HA 0.263 4.583 4.320 -0.000 0.000 0.238 419 A C -1.173 176.202 177.584 -0.349 0.000 1.074 419 A CA -0.604 51.184 52.037 -0.415 0.000 0.774 419 A CB -0.199 18.328 19.000 -0.789 0.000 1.015 419 A HN 0.134 nan 8.150 nan 0.000 0.498 420 P HA 0.063 nan 4.420 nan 0.000 0.238 420 P C 0.449 177.477 177.300 -0.453 0.000 1.183 420 P CA 1.081 63.914 63.100 -0.444 0.000 0.813 420 P CB 0.095 31.505 31.700 -0.484 0.000 0.944 421 H N -0.370 118.626 119.070 -0.122 0.000 2.544 421 H HA 0.255 4.811 4.556 -0.000 0.000 0.269 421 H C 1.314 176.606 175.328 -0.061 0.000 0.970 421 H CA 0.302 56.337 56.048 -0.022 0.000 1.219 421 H CB -0.006 29.759 29.762 0.005 0.000 1.421 421 H HN 0.123 nan 8.280 nan 0.000 0.555 422 G N -0.194 108.545 108.800 -0.101 0.000 2.377 422 G HA2 0.439 4.399 3.960 -0.000 0.000 0.299 422 G HA3 0.439 4.399 3.960 -0.000 0.000 0.299 422 G C -1.130 173.561 174.900 -0.348 0.000 1.150 422 G CA -0.373 44.689 45.100 -0.063 0.000 0.847 422 G HN 0.088 nan 8.290 nan 0.000 0.501 423 F N 0.886 120.949 119.950 0.189 0.000 2.518 423 F HA 0.634 5.161 4.527 -0.000 0.000 0.323 423 F C 0.623 176.521 175.800 0.163 0.000 1.129 423 F CA -0.640 57.499 58.000 0.233 0.000 0.920 423 F CB 2.292 41.548 39.000 0.428 0.000 1.160 423 F HN 0.686 nan 8.300 nan 0.000 0.440 424 A N 1.667 124.627 122.820 0.233 0.000 2.247 424 A HA 0.968 5.288 4.320 -0.000 0.000 0.313 424 A C 0.181 177.862 177.584 0.162 0.000 1.109 424 A CA 0.105 52.226 52.037 0.139 0.000 0.890 424 A CB 0.739 19.825 19.000 0.143 0.000 1.239 424 A HN 0.940 nan 8.150 nan 0.000 0.506 425 G N -1.350 107.491 108.800 0.069 0.000 3.003 425 G HA2 0.472 4.432 3.960 -0.000 0.000 0.243 425 G HA3 0.472 4.432 3.960 -0.000 0.000 0.243 425 G C -0.955 173.826 174.900 -0.199 0.000 1.176 425 G CA -0.180 44.868 45.100 -0.086 0.000 0.812 425 G HN 0.827 nan 8.290 nan 0.000 0.584 426 E N 1.930 121.762 120.200 -0.614 0.000 2.299 426 E HA 0.322 4.672 4.350 -0.000 0.000 0.272 426 E C -2.091 174.473 176.600 -0.060 0.000 1.043 426 E CA -1.426 54.773 56.400 -0.335 0.000 0.895 426 E CB 0.936 30.338 29.700 -0.497 0.000 1.011 426 E HN 0.122 nan 8.360 nan 0.000 0.432 427 P HA 0.224 nan 4.420 nan 0.000 0.284 427 P C -0.799 176.546 177.300 0.076 0.000 1.253 427 P CA -0.447 62.693 63.100 0.068 0.000 0.800 427 P CB 0.916 32.702 31.700 0.144 0.000 0.961 428 I N 3.766 124.340 120.570 0.006 0.000 2.362 428 I HA 0.280 4.450 4.170 -0.000 0.000 0.289 428 I C 0.017 176.095 176.117 -0.066 0.000 0.994 428 I CA -1.165 60.150 61.300 0.025 0.000 1.158 428 I CB 0.492 38.510 38.000 0.029 0.000 1.315 428 I HN 0.328 nan 8.210 nan 0.000 0.451 429 F N 7.571 127.422 119.950 -0.166 0.000 2.424 429 F HA 0.397 4.924 4.527 -0.000 0.000 0.356 429 F C -0.145 175.489 175.800 -0.276 0.000 1.110 429 F CA -0.316 57.511 58.000 -0.287 0.000 1.161 429 F CB 0.819 39.632 39.000 -0.312 0.000 1.115 429 F HN 0.142 nan 8.300 nan 0.000 0.507 430 V N 8.458 127.804 119.914 -0.947 0.000 2.328 430 V HA 0.317 4.437 4.120 -0.000 0.000 0.278 430 V C -2.171 173.441 176.094 -0.804 0.000 1.021 430 V CA -2.050 59.774 62.300 -0.794 0.000 0.838 430 V CB 0.822 32.104 31.823 -0.901 0.000 0.999 430 V HN 0.627 nan 8.190 nan 0.000 0.447 431 P HA 0.181 nan 4.420 nan 0.000 0.271 431 P C -0.436 176.785 177.300 -0.132 0.000 1.216 431 P CA -0.368 62.642 63.100 -0.150 0.000 0.776 431 P CB 0.600 32.393 31.700 0.156 0.000 0.881 432 R N 4.388 124.690 120.500 -0.330 0.000 2.221 432 R HA 0.301 4.641 4.340 -0.000 0.000 0.327 432 R C -2.313 173.969 176.300 -0.030 0.000 1.033 432 R CA -2.055 53.831 56.100 -0.357 0.000 0.887 432 R CB -0.007 29.847 30.300 -0.743 0.000 1.057 432 R HN 0.334 nan 8.270 nan 0.000 0.455 433 P HA -0.006 nan 4.420 nan 0.000 0.258 433 P C 0.322 177.661 177.300 0.065 0.000 1.172 433 P CA 1.046 64.210 63.100 0.107 0.000 0.762 433 P CB 0.667 32.449 31.700 0.137 0.000 0.764 434 G N 2.692 111.528 108.800 0.060 0.000 2.947 434 G HA2 0.122 4.082 3.960 -0.000 0.000 0.251 434 G HA3 0.122 4.082 3.960 -0.000 0.000 0.251 434 G C 0.301 175.219 174.900 0.031 0.000 1.481 434 G CA 0.370 45.494 45.100 0.040 0.000 1.006 434 G HN 0.971 nan 8.290 nan 0.000 0.561 435 G N -1.645 107.158 108.800 0.004 0.000 3.583 435 G HA2 0.200 4.160 3.960 -0.000 0.000 0.587 435 G HA3 0.200 4.160 3.960 -0.000 0.000 0.587 435 G C 0.848 175.756 174.900 0.015 0.000 1.488 435 G CA 0.944 46.040 45.100 -0.008 0.000 1.278 435 G HN 2.007 nan 8.290 nan 0.000 0.587 436 V N 1.558 121.477 119.914 0.008 0.000 3.013 436 V HA 0.570 4.690 4.120 -0.000 0.000 0.238 436 V C 1.983 178.084 176.094 0.012 0.000 1.161 436 V CA 1.544 63.849 62.300 0.008 0.000 1.170 436 V CB -0.965 30.860 31.823 0.002 0.000 0.917 436 V HN 1.888 nan 8.190 nan 0.000 0.478 437 A N 0.607 123.444 122.820 0.029 0.000 2.425 437 A HA 0.181 4.500 4.320 -0.000 0.000 0.242 437 A C 1.366 179.008 177.584 0.096 0.000 1.077 437 A CA 0.235 52.310 52.037 0.064 0.000 0.781 437 A CB 0.193 19.236 19.000 0.072 0.000 1.020 437 A HN 0.440 nan 8.150 nan 0.000 0.494 438 E N 0.042 120.328 120.200 0.144 0.000 2.153 438 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 438 E C 0.335 177.109 176.600 0.290 0.000 0.988 438 E CA 1.577 58.058 56.400 0.135 0.000 0.811 438 E CB 0.014 29.811 29.700 0.162 0.000 0.746 438 E HN 0.828 nan 8.360 nan 0.000 0.466 439 D N -0.203 120.353 120.400 0.261 0.000 2.325 439 D HA -0.046 4.594 4.640 -0.000 0.000 0.225 439 D C -0.057 176.372 176.300 0.214 0.000 1.096 439 D CA -0.133 53.970 54.000 0.171 0.000 0.844 439 D CB -0.142 40.447 40.800 -0.351 0.000 0.925 439 D HN -0.116 nan 8.370 nan 0.000 0.513 440 D N 0.594 121.111 120.400 0.196 0.000 2.359 440 D HA 0.448 5.088 4.640 -0.000 0.000 0.250 440 D C 0.443 176.655 176.300 -0.145 0.000 1.264 440 D CA 0.376 54.372 54.000 -0.006 0.000 0.911 440 D CB 0.257 41.044 40.800 -0.022 0.000 1.056 440 D HN 0.333 nan 8.370 nan 0.000 0.499 441 G N 2.699 111.172 108.800 -0.544 0.000 2.333 441 G HA2 0.129 4.089 3.960 -0.000 0.000 0.288 441 G HA3 0.129 4.089 3.960 -0.000 0.000 0.288 441 G C -1.488 172.702 174.900 -1.183 0.000 1.286 441 G CA -0.893 43.489 45.100 -1.197 0.000 0.865 441 G HN 0.256 nan 8.290 nan 0.000 0.506 442 W N -0.374 120.472 121.300 -0.756 0.000 2.736 442 W HA 0.718 5.378 4.660 -0.000 0.000 0.355 442 W C -0.598 175.514 176.519 -0.679 0.000 1.102 442 W CA -0.820 56.166 57.345 -0.597 0.000 1.164 442 W CB 1.665 30.806 29.460 -0.531 0.000 1.422 442 W HN 0.315 nan 8.180 nan 0.000 0.572 443 L N 2.849 123.949 121.223 -0.207 0.000 2.298 443 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 443 L C -0.424 176.325 176.870 -0.201 0.000 1.013 443 L CA -0.837 53.870 54.840 -0.222 0.000 0.824 443 L CB 1.114 43.094 42.059 -0.131 0.000 1.221 443 L HN 0.149 nan 8.230 nan 0.000 0.418 444 L N 3.663 124.728 121.223 -0.262 0.000 2.259 444 L HA 0.391 4.731 4.340 -0.000 0.000 0.288 444 L C -0.738 176.013 176.870 -0.197 0.000 1.051 444 L CA -0.387 54.282 54.840 -0.285 0.000 0.824 444 L CB 0.807 42.630 42.059 -0.392 0.000 1.206 444 L HN 0.601 nan 8.230 nan 0.000 0.429 445 C N 4.462 123.656 119.300 -0.178 0.000 2.301 445 C HA 0.421 4.881 4.460 -0.000 0.000 0.323 445 C C 0.217 175.085 174.990 -0.203 0.000 1.265 445 C CA -0.849 58.081 59.018 -0.146 0.000 1.503 445 C CB 0.924 28.616 27.740 -0.081 0.000 2.195 445 C HN 0.579 nan 8.230 nan 0.000 0.477 446 L N 4.865 125.989 121.223 -0.166 0.000 2.325 446 L HA 0.535 4.874 4.340 -0.000 0.000 0.284 446 L C -0.502 176.292 176.870 -0.127 0.000 1.089 446 L CA 0.391 55.147 54.840 -0.141 0.000 0.836 446 L CB -0.154 41.873 42.059 -0.055 0.000 1.184 446 L HN 0.558 nan 8.230 nan 0.000 0.444 447 I N 5.673 126.132 120.570 -0.185 0.000 2.404 447 I HA 0.267 4.437 4.170 -0.000 0.000 0.293 447 I C -0.922 175.185 176.117 -0.017 0.000 0.992 447 I CA -0.442 60.739 61.300 -0.199 0.000 1.149 447 I CB 1.470 39.121 38.000 -0.582 0.000 1.315 447 I HN 0.466 nan 8.210 nan 0.000 0.446 448 Y N 6.839 127.156 120.300 0.028 0.000 2.320 448 Y HA 0.483 5.033 4.550 -0.000 0.000 0.334 448 Y C -0.562 175.444 175.900 0.176 0.000 1.055 448 Y CA -0.615 57.539 58.100 0.090 0.000 1.143 448 Y CB 0.796 39.337 38.460 0.135 0.000 1.193 448 Y HN 0.359 nan 8.280 nan 0.000 0.477 449 K N 5.618 125.609 120.400 -0.682 0.000 2.425 449 K HA 0.473 4.793 4.320 -0.000 0.000 0.259 449 K C 0.058 176.216 176.600 -0.736 0.000 0.978 449 K CA -0.116 55.899 56.287 -0.453 0.000 0.883 449 K CB 1.797 34.154 32.500 -0.238 0.000 1.110 449 K HN 0.869 nan 8.250 nan 0.000 0.436 450 A N 2.903 125.511 122.820 -0.354 0.000 2.067 450 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 450 A C 1.464 179.019 177.584 -0.049 0.000 1.156 450 A CA 1.289 53.249 52.037 -0.127 0.000 0.683 450 A CB -0.131 19.061 19.000 0.320 0.000 0.808 450 A HN 0.764 nan 8.150 nan 0.000 0.455 451 D N 0.961 121.287 120.400 -0.125 0.000 2.078 451 D HA -0.086 4.554 4.640 -0.000 0.000 0.193 451 D C 0.979 177.204 176.300 -0.125 0.000 0.990 451 D CA 0.795 54.657 54.000 -0.230 0.000 0.827 451 D CB -0.957 39.562 40.800 -0.468 0.000 0.975 451 D HN 0.439 nan 8.370 nan 0.000 0.451 452 L N -0.654 120.497 121.223 -0.119 0.000 2.475 452 L HA 0.299 4.639 4.340 -0.000 0.000 0.253 452 L C 0.556 177.408 176.870 -0.030 0.000 1.198 452 L CA -0.634 54.166 54.840 -0.066 0.000 0.814 452 L CB 0.176 42.181 42.059 -0.089 0.000 1.134 452 L HN 0.089 nan 8.230 nan 0.000 0.478 453 H N 1.201 120.224 119.070 -0.078 0.000 2.412 453 H HA 0.405 4.961 4.556 -0.000 0.000 0.239 453 H C -0.824 174.544 175.328 0.066 0.000 1.388 453 H CA -0.509 55.530 56.048 -0.015 0.000 1.148 453 H CB -0.082 29.697 29.762 0.028 0.000 1.637 453 H HN 0.396 nan 8.280 nan 0.000 0.542 454 R N 0.228 120.672 120.500 -0.094 0.000 2.912 454 R HA 0.582 4.922 4.340 -0.000 0.000 0.262 454 R C -0.748 175.495 176.300 -0.096 0.000 1.057 454 R CA -1.128 54.897 56.100 -0.126 0.000 0.981 454 R CB 2.107 32.308 30.300 -0.165 0.000 1.201 454 R HN 0.190 nan 8.270 nan 0.000 0.484 455 S N 0.751 116.367 115.700 -0.141 0.000 2.532 455 S HA 0.392 4.862 4.470 -0.000 0.000 0.301 455 S C -0.915 173.583 174.600 -0.170 0.000 1.083 455 S CA -0.773 57.370 58.200 -0.096 0.000 1.025 455 S CB 1.913 65.070 63.200 -0.072 0.000 1.056 455 S HN 0.394 nan 8.310 nan 0.000 0.494 456 E N 0.952 121.071 120.200 -0.136 0.000 2.288 456 E HA 0.455 4.805 4.350 -0.000 0.000 0.268 456 E C -1.484 175.022 176.600 -0.157 0.000 0.885 456 E CA -0.877 55.441 56.400 -0.136 0.000 0.767 456 E CB 2.077 31.702 29.700 -0.126 0.000 1.220 456 E HN 0.271 nan 8.360 nan 0.000 0.427 457 L N 2.712 123.831 121.223 -0.173 0.000 2.257 457 L HA 0.295 4.635 4.340 -0.000 0.000 0.290 457 L C -1.288 175.456 176.870 -0.210 0.000 1.044 457 L CA -0.551 54.108 54.840 -0.301 0.000 0.810 457 L CB 1.187 42.861 42.059 -0.642 0.000 1.193 457 L HN 0.320 nan 8.230 nan 0.000 0.425 458 V N 6.784 126.583 119.914 -0.192 0.000 2.370 458 V HA 0.359 4.479 4.120 -0.000 0.000 0.279 458 V C 0.335 176.359 176.094 -0.117 0.000 1.029 458 V CA -0.453 61.783 62.300 -0.107 0.000 0.870 458 V CB 1.275 33.080 31.823 -0.031 0.000 0.984 458 V HN 0.532 nan 8.190 nan 0.000 0.451 459 I N 6.775 127.276 120.570 -0.116 0.000 2.310 459 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 459 I C -0.292 175.793 176.117 -0.053 0.000 1.073 459 I CA -0.062 61.144 61.300 -0.157 0.000 1.216 459 I CB 0.478 38.322 38.000 -0.260 0.000 1.415 459 I HN 0.403 nan 8.210 nan 0.000 0.480 460 L N 4.186 125.400 121.223 -0.014 0.000 2.375 460 L HA 0.421 4.760 4.340 -0.000 0.000 0.268 460 L C 0.157 177.056 176.870 0.048 0.000 1.058 460 L CA -0.747 54.111 54.840 0.031 0.000 0.803 460 L CB 1.095 43.181 42.059 0.045 0.000 1.212 460 L HN 0.396 nan 8.230 nan 0.000 0.451 461 D N 0.650 121.070 120.400 0.034 0.000 2.325 461 D HA 0.277 4.917 4.640 -0.000 0.000 0.251 461 D C 0.735 177.001 176.300 -0.057 0.000 1.196 461 D CA -0.087 53.898 54.000 -0.027 0.000 0.866 461 D CB 1.814 42.599 40.800 -0.026 0.000 1.101 461 D HN 0.584 nan 8.370 nan 0.000 0.476 462 A N 3.741 126.489 122.820 -0.120 0.000 2.178 462 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 462 A C 1.850 179.436 177.584 0.004 0.000 1.157 462 A CA 1.213 53.232 52.037 -0.030 0.000 0.689 462 A CB -0.309 18.688 19.000 -0.004 0.000 0.787 462 A HN 0.721 nan 8.150 nan 0.000 0.465 463 Q N -1.285 118.476 119.800 -0.066 0.000 2.269 463 Q HA -0.024 4.316 4.340 -0.000 0.000 0.201 463 Q C -0.395 175.568 176.000 -0.063 0.000 0.946 463 Q CA 1.062 56.813 55.803 -0.087 0.000 0.877 463 Q CB 0.408 29.093 28.738 -0.089 0.000 0.963 463 Q HN 0.542 nan 8.270 nan 0.000 0.472 464 D N -0.732 119.648 120.400 -0.034 0.000 2.337 464 D HA 0.055 4.695 4.640 -0.000 0.000 0.238 464 D C 0.002 176.302 176.300 -0.001 0.000 1.331 464 D CA -0.223 53.766 54.000 -0.018 0.000 0.967 464 D CB 0.541 41.328 40.800 -0.021 0.000 1.382 464 D HN 0.227 nan 8.370 nan 0.000 0.549 465 I N 0.896 121.478 120.570 0.019 0.000 3.444 465 I HA 0.084 4.254 4.170 -0.000 0.000 0.287 465 I C 1.132 177.251 176.117 0.003 0.000 1.302 465 I CA 0.807 62.126 61.300 0.032 0.000 1.368 465 I CB -0.107 37.940 38.000 0.077 0.000 1.048 465 I HN 0.242 nan 8.210 nan 0.000 0.487 466 T N -1.519 113.029 114.554 -0.010 0.000 3.037 466 T HA 0.454 4.804 4.350 -0.000 0.000 0.251 466 T C 1.095 175.778 174.700 -0.027 0.000 1.079 466 T CA 0.262 62.344 62.100 -0.030 0.000 1.067 466 T CB -0.143 68.709 68.868 -0.028 0.000 0.948 466 T HN 0.378 nan 8.240 nan 0.000 0.496 467 A N 2.810 125.620 122.820 -0.015 0.000 2.366 467 A HA 0.563 4.883 4.320 -0.000 0.000 0.250 467 A C -2.034 175.546 177.584 -0.008 0.000 1.099 467 A CA -1.182 50.849 52.037 -0.011 0.000 0.794 467 A CB -0.571 18.426 19.000 -0.006 0.000 1.056 467 A HN 0.311 nan 8.150 nan 0.000 0.499 468 P HA 0.263 nan 4.420 nan 0.000 0.269 468 P C -0.426 176.881 177.300 0.012 0.000 1.217 468 P CA 0.369 63.470 63.100 0.001 0.000 0.783 468 P CB 0.348 32.050 31.700 0.003 0.000 0.898 469 A N 1.900 124.732 122.820 0.020 0.000 2.409 469 A HA 0.163 4.482 4.320 -0.000 0.000 0.262 469 A C 1.306 178.899 177.584 0.015 0.000 1.113 469 A CA -0.249 51.804 52.037 0.027 0.000 0.790 469 A CB -0.547 18.479 19.000 0.043 0.000 1.046 469 A HN 0.430 nan 8.150 nan 0.000 0.496 470 I N 1.713 122.293 120.570 0.015 0.000 2.248 470 I HA -0.093 4.076 4.170 -0.000 0.000 0.248 470 I C 1.379 177.484 176.117 -0.020 0.000 1.107 470 I CA 2.420 63.724 61.300 0.006 0.000 1.373 470 I CB -0.629 37.380 38.000 0.016 0.000 1.055 470 I HN 0.789 nan 8.210 nan 0.000 0.418 471 A N -1.672 121.128 122.820 -0.034 0.000 2.597 471 A HA 0.714 5.034 4.320 -0.000 0.000 0.292 471 A C -0.683 176.883 177.584 -0.030 0.000 1.057 471 A CA -0.567 51.451 52.037 -0.031 0.000 0.674 471 A CB 0.732 19.706 19.000 -0.044 0.000 1.278 471 A HN -0.076 nan 8.150 nan 0.000 0.416 472 T N 2.069 116.614 114.554 -0.015 0.000 2.906 472 T HA 0.483 4.833 4.350 -0.000 0.000 0.302 472 T C -1.122 173.570 174.700 -0.013 0.000 1.002 472 T CA -0.315 61.772 62.100 -0.022 0.000 0.988 472 T CB 0.544 69.408 68.868 -0.008 0.000 0.972 472 T HN 0.419 nan 8.240 nan 0.000 0.447 473 L N 4.017 125.230 121.223 -0.015 0.000 2.312 473 L HA 0.343 4.683 4.340 -0.000 0.000 0.287 473 L C 0.622 177.485 176.870 -0.012 0.000 1.091 473 L CA -0.283 54.572 54.840 0.026 0.000 0.846 473 L CB -0.356 41.762 42.059 0.098 0.000 1.219 473 L HN 0.461 nan 8.230 nan 0.000 0.439 474 K N 5.010 125.392 120.400 -0.029 0.000 2.250 474 K HA 0.406 4.725 4.320 -0.000 0.000 0.280 474 K C -0.182 176.339 176.600 -0.131 0.000 1.098 474 K CA -0.413 55.824 56.287 -0.084 0.000 0.916 474 K CB 0.684 33.142 32.500 -0.071 0.000 1.209 474 K HN 0.427 nan 8.250 nan 0.000 0.461 475 L N 2.685 123.757 121.223 -0.252 0.000 2.473 475 L HA 0.002 4.342 4.340 -0.000 0.000 0.265 475 L C 1.189 177.786 176.870 -0.455 0.000 1.243 475 L CA 0.090 54.664 54.840 -0.443 0.000 0.822 475 L CB 0.057 41.555 42.059 -0.934 0.000 1.101 475 L HN 0.621 nan 8.230 nan 0.000 0.507 476 K N 0.393 120.467 120.400 -0.542 0.000 2.493 476 K HA 0.211 4.531 4.320 -0.000 0.000 0.207 476 K C -0.088 176.277 176.600 -0.392 0.000 1.033 476 K CA -0.235 55.823 56.287 -0.381 0.000 1.161 476 K CB -0.059 32.269 32.500 -0.286 0.000 0.873 476 K HN 0.680 nan 8.250 nan 0.000 0.491 477 H N -1.057 117.709 119.070 -0.507 0.000 2.905 477 H HA 0.240 4.796 4.556 -0.000 0.000 0.280 477 H C -1.229 173.887 175.328 -0.353 0.000 1.445 477 H CA -0.956 54.816 56.048 -0.459 0.000 1.165 477 H CB 0.680 29.929 29.762 -0.854 0.000 1.857 477 H HN 0.164 nan 8.280 nan 0.000 0.567 478 H N 0.314 119.222 119.070 -0.269 0.000 2.616 478 H HA 0.591 5.147 4.556 -0.000 0.000 0.353 478 H C -1.107 174.163 175.328 -0.096 0.000 1.170 478 H CA -1.000 54.907 56.048 -0.235 0.000 1.212 478 H CB 2.101 31.667 29.762 -0.326 0.000 1.653 478 H HN 0.467 nan 8.280 nan 0.000 0.537 479 I N 3.075 123.469 120.570 -0.293 0.000 2.362 479 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 479 I C -2.395 173.558 176.117 -0.274 0.000 0.994 479 I CA -2.278 58.850 61.300 -0.287 0.000 1.158 479 I CB 1.942 39.901 38.000 -0.068 0.000 1.315 479 I HN 0.334 nan 8.210 nan 0.000 0.451 480 P HA -0.077 nan 4.420 nan 0.000 0.262 480 P C -0.904 176.279 177.300 -0.195 0.000 1.182 480 P CA -0.033 62.940 63.100 -0.211 0.000 0.761 480 P CB 0.054 31.739 31.700 -0.026 0.000 0.795 481 Y N 3.950 124.098 120.300 -0.254 0.000 2.725 481 Y HA -0.112 4.438 4.550 -0.000 0.000 0.408 481 Y C -1.099 174.799 175.900 -0.003 0.000 1.367 481 Y CA -0.729 57.248 58.100 -0.205 0.000 1.794 481 Y CB -1.762 36.430 38.460 -0.447 0.000 1.220 481 Y HN 0.366 nan 8.280 nan 0.000 0.477 482 P HA 0.124 nan 4.420 nan 0.000 0.274 482 P C 0.282 177.656 177.300 0.123 0.000 1.256 482 P CA -0.214 62.955 63.100 0.114 0.000 0.795 482 P CB 1.591 33.325 31.700 0.057 0.000 1.038 483 L N -0.068 121.228 121.223 0.121 0.000 2.568 483 L HA 0.253 4.593 4.340 -0.000 0.000 0.187 483 L C 1.370 178.173 176.870 -0.111 0.000 1.489 483 L CA -0.499 54.394 54.840 0.089 0.000 3.061 483 L CB -0.550 41.637 42.059 0.212 0.000 2.895 483 L HN 0.367 nan 8.230 nan 0.000 0.999 484 H N -0.636 118.536 119.070 0.169 0.000 2.488 484 H HA 0.493 5.049 4.556 -0.000 0.000 0.347 484 H C -0.410 174.967 175.328 0.082 0.000 1.174 484 H CA 0.044 56.152 56.048 0.100 0.000 1.307 484 H CB 1.376 31.169 29.762 0.052 0.000 1.517 484 H HN 0.497 nan 8.280 nan 0.000 0.554 485 G N -0.431 108.508 108.800 0.233 0.000 2.866 485 G HA2 0.508 4.468 3.960 -0.000 0.000 0.289 485 G HA3 0.508 4.468 3.960 -0.000 0.000 0.289 485 G C -1.240 173.801 174.900 0.235 0.000 1.396 485 G CA -0.546 44.683 45.100 0.215 0.000 0.848 485 G HN 0.703 nan 8.290 nan 0.000 0.515 486 S N -1.391 114.481 115.700 0.286 0.000 2.547 486 S HA 0.558 5.027 4.470 -0.000 0.000 0.270 486 S C -1.682 173.155 174.600 0.395 0.000 1.150 486 S CA -0.788 57.601 58.200 0.315 0.000 0.850 486 S CB 1.754 65.130 63.200 0.295 0.000 1.118 486 S HN 1.109 nan 8.310 nan 0.000 0.461 487 W N 2.950 124.345 121.300 0.159 0.000 2.329 487 W HA 0.647 5.307 4.660 -0.000 0.000 0.312 487 W C -0.840 175.762 176.519 0.140 0.000 1.054 487 W CA -0.755 56.654 57.345 0.106 0.000 1.245 487 W CB 1.477 30.970 29.460 0.055 0.000 1.255 487 W HN 1.016 nan 8.180 nan 0.000 0.436 488 A N 6.049 128.583 122.820 -0.477 0.000 2.341 488 A HA 0.243 4.563 4.320 -0.000 0.000 0.326 488 A C -0.153 176.890 177.584 -0.902 0.000 1.402 488 A CA -0.427 51.332 52.037 -0.463 0.000 0.957 488 A CB 0.584 19.468 19.000 -0.195 0.000 1.151 488 A HN 0.783 nan 8.150 nan 0.000 0.533 489 Q N 1.151 120.531 119.800 -0.701 0.000 2.421 489 Q HA 0.315 4.655 4.340 -0.000 0.000 0.255 489 Q C 0.353 176.189 176.000 -0.273 0.000 1.013 489 Q CA 0.628 56.139 55.803 -0.486 0.000 0.895 489 Q CB 0.616 29.301 28.738 -0.088 0.000 1.271 489 Q HN 0.708 nan 8.270 nan 0.000 0.460 490 T N 0.000 114.455 114.554 -0.166 0.000 3.816 490 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 490 T CA 0.000 62.046 62.100 -0.090 0.000 1.349 490 T CB 0.000 68.832 68.868 -0.060 0.000 0.612 490 T HN 0.000 nan 8.240 nan 0.000 0.658