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 1y10_1_C DATA FIRST_RESID 12 DATA SEQUENCE NIDDLLGDLG GTARAERAKL VEWLLEQGIT PDEIRATNPP LLLATRHLVG DATA SEQUENCE DDGTYVSARE ISENYGVDLE LLQRVQRAVG LARVDDPDAV VHMRADGEAA DATA SEQUENCE ARAQRFVELG LNPDQVVLVV RVLAEGLSHA AEAMRYTALE AIMRPGATEL DATA SEQUENCE DIAKGSQALV SQIVPLLGPM IQDMLFMQLR HMMETEAVNA GERAAGKPLP DATA SEQUENCE GARQVTVAFA DLVGFTQLGE VVSAEELGHL AGRLAGLARD LTAPPVWFIK DATA SEQUENCE TIGDAVMLVC PDPAPLLDTV LKLVEVVDTD NNFPRLRAGV ASGMAVSRAG DATA SEQUENCE DWFGSPVNVA SRVTGVARPG AVLVADSVRE ALGDXXXADG FQWSFAGPRR DATA SEQUENCE LRGIRGDVRL FRVRRG 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 N HA 0.000 nan 4.740 nan 0.000 0.220 12 N C 0.000 175.516 175.510 0.010 0.000 1.280 12 N CA 0.000 53.054 53.050 0.007 0.000 0.885 12 N CB 0.000 38.491 38.487 0.007 0.000 1.341 13 I N -0.199 120.378 120.570 0.012 0.000 3.885 13 I HA -0.358 3.813 4.170 0.000 0.000 0.148 13 I C 0.163 176.289 176.117 0.016 0.000 0.422 13 I CA 1.955 63.265 61.300 0.016 0.000 1.251 13 I CB -1.242 36.769 38.000 0.019 0.000 1.122 13 I HN 0.191 nan 8.210 nan 0.000 0.214 14 D N 0.926 121.334 120.400 0.013 0.000 2.262 14 D HA -0.026 4.614 4.640 0.000 0.000 0.212 14 D C 1.410 177.718 176.300 0.013 0.000 0.964 14 D CA 1.083 55.091 54.000 0.013 0.000 0.875 14 D CB -0.104 40.702 40.800 0.010 0.000 0.996 14 D HN 0.448 nan 8.370 nan 0.000 0.497 15 D N 0.649 121.057 120.400 0.012 0.000 2.350 15 D HA -0.062 4.578 4.640 0.000 0.000 0.216 15 D C 1.717 178.026 176.300 0.015 0.000 0.968 15 D CA 0.197 54.205 54.000 0.012 0.000 0.894 15 D CB 0.351 41.157 40.800 0.011 0.000 0.909 15 D HN 0.112 nan 8.370 nan 0.000 0.520 16 L N 0.161 121.394 121.223 0.017 0.000 2.554 16 L HA 0.079 4.420 4.340 0.000 0.000 0.226 16 L C 2.055 178.938 176.870 0.022 0.000 1.137 16 L CA 0.609 55.462 54.840 0.021 0.000 0.863 16 L CB -0.681 41.391 42.059 0.023 0.000 0.985 16 L HN 0.069 nan 8.230 nan 0.000 0.451 17 L N -1.694 119.541 121.223 0.019 0.000 2.463 17 L HA 0.295 4.636 4.340 0.000 0.000 0.219 17 L C 1.533 178.413 176.870 0.017 0.000 1.088 17 L CA 0.517 55.369 54.840 0.019 0.000 0.849 17 L CB -0.157 41.913 42.059 0.017 0.000 1.012 17 L HN 0.406 nan 8.230 nan 0.000 0.468 18 G N 0.689 109.498 108.800 0.015 0.000 2.528 18 G HA2 -0.350 3.611 3.960 0.000 0.000 0.262 18 G HA3 -0.350 3.611 3.960 0.000 0.000 0.262 18 G C 0.057 174.964 174.900 0.011 0.000 1.200 18 G CA 0.183 45.291 45.100 0.013 0.000 0.951 18 G HN 0.243 nan 8.290 nan 0.000 0.566 19 D N 1.101 121.507 120.400 0.011 0.000 2.690 19 D HA 0.354 4.994 4.640 0.000 0.000 0.236 19 D C 0.935 177.240 176.300 0.009 0.000 1.218 19 D CA 0.033 54.039 54.000 0.009 0.000 0.829 19 D CB -0.622 40.182 40.800 0.008 0.000 1.009 19 D HN 0.391 nan 8.370 nan 0.000 0.482 20 L N -0.283 120.945 121.223 0.010 0.000 2.379 20 L HA 0.618 4.958 4.340 0.000 0.000 0.269 20 L C 0.996 177.871 176.870 0.008 0.000 1.084 20 L CA -0.699 54.146 54.840 0.009 0.000 0.802 20 L CB 1.866 43.932 42.059 0.011 0.000 1.175 20 L HN -0.011 nan 8.230 nan 0.000 0.448 21 G N -0.214 108.590 108.800 0.007 0.000 2.638 21 G HA2 0.555 4.515 3.960 0.000 0.000 0.302 21 G HA3 0.555 4.515 3.960 0.000 0.000 0.302 21 G C -0.106 174.797 174.900 0.005 0.000 1.365 21 G CA 0.094 45.197 45.100 0.005 0.000 0.987 21 G HN 0.948 nan 8.290 nan 0.000 0.495 22 G N 0.953 109.755 108.800 0.004 0.000 2.561 22 G HA2 -0.203 3.757 3.960 0.000 0.000 0.289 22 G HA3 -0.203 3.757 3.960 0.000 0.000 0.289 22 G C 1.743 176.645 174.900 0.002 0.000 1.169 22 G CA 1.582 46.684 45.100 0.003 0.000 0.980 22 G HN 2.051 nan 8.290 nan 0.000 0.550 23 T N -1.082 113.473 114.554 0.001 0.000 2.788 23 T HA 0.220 4.571 4.350 0.000 0.000 0.268 23 T C 2.603 177.303 174.700 -0.000 0.000 1.044 23 T CA 2.957 65.057 62.100 -0.001 0.000 1.139 23 T CB -0.570 68.297 68.868 -0.002 0.000 0.867 23 T HN 1.935 nan 8.240 nan 0.000 0.454 24 A N 1.258 124.079 122.820 0.002 0.000 2.066 24 A HA 0.126 4.446 4.320 0.000 0.000 0.218 24 A C 2.459 180.047 177.584 0.006 0.000 1.157 24 A CA 1.229 53.268 52.037 0.003 0.000 0.670 24 A CB -0.674 18.329 19.000 0.004 0.000 0.804 24 A HN 0.558 nan 8.150 nan 0.000 0.453 25 R N -0.585 119.919 120.500 0.007 0.000 2.080 25 R HA 0.075 4.416 4.340 0.000 0.000 0.222 25 R C 2.277 178.583 176.300 0.010 0.000 1.107 25 R CA 1.120 57.225 56.100 0.009 0.000 0.980 25 R CB -0.309 29.997 30.300 0.009 0.000 0.879 25 R HN 0.382 nan 8.270 nan 0.000 0.439 26 A N 1.046 123.870 122.820 0.007 0.000 1.933 26 A HA -0.157 4.163 4.320 0.000 0.000 0.218 26 A C 1.862 179.450 177.584 0.005 0.000 1.175 26 A CA 1.412 53.453 52.037 0.006 0.000 0.628 26 A CB -0.361 18.641 19.000 0.003 0.000 0.814 26 A HN 0.468 nan 8.150 nan 0.000 0.444 27 E N -0.976 119.225 120.200 0.001 0.000 2.072 27 E HA -0.202 4.148 4.350 0.000 0.000 0.191 27 E C 2.305 178.908 176.600 0.005 0.000 0.985 27 E CA 1.150 57.548 56.400 -0.004 0.000 0.801 27 E CB -0.101 29.594 29.700 -0.008 0.000 0.750 27 E HN 0.441 nan 8.360 nan 0.000 0.452 28 R N 1.042 121.550 120.500 0.013 0.000 2.120 28 R HA -0.076 4.264 4.340 0.000 0.000 0.234 28 R C 1.915 178.236 176.300 0.034 0.000 1.123 28 R CA 1.485 57.600 56.100 0.025 0.000 0.975 28 R CB -0.565 29.749 30.300 0.024 0.000 0.866 28 R HN 0.139 nan 8.270 nan 0.000 0.446 29 A N 0.583 123.419 122.820 0.028 0.000 1.902 29 A HA -0.166 4.154 4.320 0.000 0.000 0.217 29 A C 1.945 179.556 177.584 0.045 0.000 1.181 29 A CA 1.731 53.787 52.037 0.033 0.000 0.623 29 A CB -0.372 18.642 19.000 0.024 0.000 0.818 29 A HN 0.389 nan 8.150 nan 0.000 0.443 30 K N -0.849 119.572 120.400 0.035 0.000 2.057 30 K HA -0.088 4.232 4.320 0.000 0.000 0.206 30 K C 1.924 178.572 176.600 0.080 0.000 1.050 30 K CA 1.304 57.615 56.287 0.041 0.000 0.935 30 K CB -0.373 32.128 32.500 0.002 0.000 0.715 30 K HN 0.389 nan 8.250 nan 0.000 0.439 31 L N 1.045 122.309 121.223 0.068 0.000 2.017 31 L HA -0.164 4.176 4.340 0.000 0.000 0.208 31 L C 2.004 179.002 176.870 0.213 0.000 1.073 31 L CA 1.589 56.506 54.840 0.128 0.000 0.745 31 L CB -0.388 41.719 42.059 0.080 0.000 0.894 31 L HN -0.091 nan 8.230 nan 0.000 0.432 32 V N -0.233 119.758 119.914 0.130 0.000 2.407 32 V HA -0.275 3.845 4.120 0.000 0.000 0.248 32 V C 2.602 178.753 176.094 0.096 0.000 1.055 32 V CA 1.910 64.271 62.300 0.101 0.000 1.049 32 V CB -0.659 31.201 31.823 0.062 0.000 0.662 32 V HN 0.585 nan 8.190 nan 0.000 0.455 33 E N -1.020 119.245 120.200 0.108 0.000 2.077 33 E HA -0.300 4.050 4.350 0.000 0.000 0.193 33 E C 2.029 178.707 176.600 0.130 0.000 0.989 33 E CA 1.900 58.357 56.400 0.095 0.000 0.800 33 E CB -0.210 29.544 29.700 0.089 0.000 0.746 33 E HN 0.731 nan 8.360 nan 0.000 0.452 34 W N 1.140 122.433 121.300 -0.013 0.000 2.381 34 W HA -0.137 4.523 4.660 0.000 0.000 0.301 34 W C 1.703 178.207 176.519 -0.026 0.000 1.205 34 W CA 1.272 58.607 57.345 -0.017 0.000 1.285 34 W CB -0.278 29.174 29.460 -0.013 0.000 1.133 34 W HN 0.035 nan 8.180 nan 0.000 0.521 35 L N 0.132 121.342 121.223 -0.021 0.000 1.994 35 L HA -0.257 4.083 4.340 0.000 0.000 0.208 35 L C 2.616 179.353 176.870 -0.221 0.000 1.071 35 L CA 1.479 56.182 54.840 -0.229 0.000 0.745 35 L CB -1.263 40.773 42.059 -0.037 0.000 0.892 35 L HN 0.021 nan 8.230 nan 0.000 0.431 36 L N -0.354 120.807 121.223 -0.103 0.000 2.042 36 L HA -0.259 4.081 4.340 0.000 0.000 0.210 36 L C 2.639 179.443 176.870 -0.110 0.000 1.076 36 L CA 1.362 56.151 54.840 -0.086 0.000 0.749 36 L CB -0.512 41.527 42.059 -0.034 0.000 0.893 36 L HN 0.349 nan 8.230 nan 0.000 0.432 37 E N -0.039 120.093 120.200 -0.113 0.000 2.130 37 E HA -0.289 4.061 4.350 0.000 0.000 0.196 37 E C 2.075 178.570 176.600 -0.175 0.000 0.998 37 E CA 1.382 57.713 56.400 -0.116 0.000 0.806 37 E CB 0.050 29.695 29.700 -0.091 0.000 0.738 37 E HN 0.552 nan 8.360 nan 0.000 0.459 38 Q N -1.510 118.119 119.800 -0.285 0.000 2.472 38 Q HA 0.033 4.373 4.340 0.000 0.000 0.208 38 Q C 1.032 176.892 176.000 -0.234 0.000 0.958 38 Q CA 0.518 56.134 55.803 -0.312 0.000 0.932 38 Q CB 0.723 29.161 28.738 -0.500 0.000 1.007 38 Q HN 0.480 nan 8.270 nan 0.000 0.508 39 G N 1.037 109.724 108.800 -0.188 0.000 2.159 39 G HA2 -0.244 3.716 3.960 0.000 0.000 0.227 39 G HA3 -0.244 3.716 3.960 0.000 0.000 0.227 39 G C 0.091 174.901 174.900 -0.150 0.000 0.986 39 G CA -0.428 44.588 45.100 -0.140 0.000 0.651 39 G HN 0.276 nan 8.290 nan 0.000 0.523 40 I N 2.929 123.376 120.570 -0.205 0.000 2.598 40 I HA 0.258 4.428 4.170 0.000 0.000 0.284 40 I C 1.604 177.665 176.117 -0.093 0.000 1.140 40 I CA 0.536 61.724 61.300 -0.187 0.000 1.420 40 I CB 0.775 38.627 38.000 -0.246 0.000 1.387 40 I HN 0.334 nan 8.210 nan 0.000 0.553 41 T N 4.748 119.273 114.554 -0.048 0.000 2.898 41 T HA 0.151 4.501 4.350 0.000 0.000 0.301 41 T C -1.464 173.231 174.700 -0.009 0.000 1.049 41 T CA -1.441 60.647 62.100 -0.021 0.000 1.095 41 T CB 0.887 69.755 68.868 -0.000 0.000 0.976 41 T HN 0.408 nan 8.240 nan 0.000 0.539 42 P HA -0.114 nan 4.420 nan 0.000 0.216 42 P C 0.966 178.275 177.300 0.016 0.000 1.153 42 P CA 1.177 64.281 63.100 0.006 0.000 0.858 42 P CB 0.007 31.710 31.700 0.005 0.000 0.789 43 D N -0.159 120.252 120.400 0.018 0.000 2.133 43 D HA -0.185 4.455 4.640 0.000 0.000 0.195 43 D C 2.045 178.368 176.300 0.039 0.000 0.997 43 D CA 1.129 55.146 54.000 0.028 0.000 0.840 43 D CB -0.585 40.233 40.800 0.029 0.000 0.947 43 D HN 0.356 nan 8.370 nan 0.000 0.452 44 E N -0.220 120.004 120.200 0.041 0.000 2.158 44 E HA -0.054 4.296 4.350 0.000 0.000 0.191 44 E C 2.274 178.907 176.600 0.055 0.000 0.982 44 E CA 0.155 56.590 56.400 0.058 0.000 0.823 44 E CB 0.067 29.813 29.700 0.077 0.000 0.766 44 E HN 0.260 nan 8.360 nan 0.000 0.468 45 I N 0.459 121.052 120.570 0.039 0.000 2.226 45 I HA -0.261 3.909 4.170 0.000 0.000 0.245 45 I C 2.607 178.749 176.117 0.041 0.000 1.100 45 I CA 1.002 62.325 61.300 0.038 0.000 1.374 45 I CB -0.158 37.858 38.000 0.027 0.000 1.057 45 I HN 0.023 nan 8.210 nan 0.000 0.413 46 R N 0.424 120.946 120.500 0.036 0.000 2.115 46 R HA -0.010 4.330 4.340 0.000 0.000 0.226 46 R C 2.287 178.610 176.300 0.039 0.000 1.100 46 R CA 1.161 57.281 56.100 0.034 0.000 0.980 46 R CB -0.174 30.143 30.300 0.028 0.000 0.875 46 R HN 0.322 nan 8.270 nan 0.000 0.445 47 A N 0.186 123.035 122.820 0.047 0.000 2.119 47 A HA 0.002 4.322 4.320 0.000 0.000 0.216 47 A C 0.580 178.199 177.584 0.059 0.000 1.152 47 A CA 0.770 52.840 52.037 0.055 0.000 0.708 47 A CB 0.235 19.279 19.000 0.073 0.000 0.805 47 A HN 0.099 nan 8.150 nan 0.000 0.460 48 T N 1.539 116.128 114.554 0.059 0.000 2.853 48 T HA 0.427 4.777 4.350 0.000 0.000 0.317 48 T C -0.860 173.871 174.700 0.052 0.000 1.059 48 T CA -0.330 61.807 62.100 0.061 0.000 0.954 48 T CB 0.234 69.145 68.868 0.070 0.000 0.994 48 T HN 0.365 nan 8.240 nan 0.000 0.479 49 N N 4.034 122.761 118.700 0.045 0.000 2.483 49 N HA 0.467 5.208 4.740 0.000 0.000 0.267 49 N C -2.180 173.351 175.510 0.036 0.000 0.998 49 N CA -1.195 51.879 53.050 0.039 0.000 0.918 49 N CB 1.438 39.944 38.487 0.032 0.000 1.215 49 N HN 0.434 nan 8.380 nan 0.000 0.500 50 P HA 0.336 nan 4.420 nan 0.000 0.276 50 P C -2.398 174.933 177.300 0.052 0.000 1.252 50 P CA -1.310 61.814 63.100 0.041 0.000 0.802 50 P CB 0.925 32.647 31.700 0.036 0.000 1.035 51 P HA 0.056 nan 4.420 nan 0.000 0.256 51 P C 1.164 178.520 177.300 0.094 0.000 1.384 51 P CA -0.187 62.958 63.100 0.075 0.000 0.879 51 P CB 0.178 31.921 31.700 0.072 0.000 1.403 52 L N 0.307 121.577 121.223 0.078 0.000 2.012 52 L HA -0.102 4.238 4.340 0.000 0.000 0.210 52 L C 1.695 178.626 176.870 0.103 0.000 1.073 52 L CA 2.036 56.922 54.840 0.077 0.000 0.748 52 L CB -0.840 41.248 42.059 0.048 0.000 0.891 52 L HN -0.056 nan 8.230 nan 0.000 0.431 53 L N -0.902 120.380 121.223 0.097 0.000 2.928 53 L HA 0.100 4.440 4.340 0.000 0.000 0.246 53 L C 1.433 178.378 176.870 0.126 0.000 1.239 53 L CA -0.444 54.461 54.840 0.108 0.000 1.035 53 L CB 0.214 42.319 42.059 0.078 0.000 1.360 53 L HN 0.225 nan 8.230 nan 0.000 0.529 54 L N 1.121 122.426 121.223 0.137 0.000 2.056 54 L HA -0.049 4.291 4.340 0.000 0.000 0.207 54 L C 2.559 179.523 176.870 0.158 0.000 1.078 54 L CA 2.124 57.048 54.840 0.140 0.000 0.749 54 L CB -0.399 41.724 42.059 0.107 0.000 0.901 54 L HN 0.269 nan 8.230 nan 0.000 0.433 55 A N -1.974 120.914 122.820 0.113 0.000 1.968 55 A HA -0.111 4.210 4.320 0.000 0.000 0.217 55 A C 2.177 179.835 177.584 0.122 0.000 1.169 55 A CA 1.813 53.863 52.037 0.022 0.000 0.638 55 A CB -0.916 18.028 19.000 -0.094 0.000 0.812 55 A HN 0.486 nan 8.150 nan 0.000 0.446 56 T N 0.156 114.806 114.554 0.159 0.000 2.904 56 T HA -0.105 4.245 4.350 0.000 0.000 0.267 56 T C 1.975 176.739 174.700 0.107 0.000 1.059 56 T CA 1.390 63.568 62.100 0.131 0.000 1.137 56 T CB -0.238 68.700 68.868 0.116 0.000 0.879 56 T HN 0.797 nan 8.240 nan 0.000 0.467 57 R N 0.549 121.117 120.500 0.113 0.000 2.189 57 R HA 0.023 4.363 4.340 0.000 0.000 0.218 57 R C 1.933 178.255 176.300 0.036 0.000 1.074 57 R CA 1.058 57.198 56.100 0.066 0.000 0.991 57 R CB -0.608 29.721 30.300 0.050 0.000 0.883 57 R HN 0.463 nan 8.270 nan 0.000 0.457 58 H N 1.084 120.152 119.070 -0.004 0.000 2.423 58 H HA -0.008 4.549 4.556 0.000 0.000 0.297 58 H C 2.075 177.395 175.328 -0.013 0.000 1.075 58 H CA 1.624 57.661 56.048 -0.019 0.000 1.342 58 H CB 0.172 29.914 29.762 -0.034 0.000 1.395 58 H HN 0.229 nan 8.280 nan 0.000 0.530 59 L N 0.876 122.164 121.223 0.107 0.000 2.191 59 L HA -0.108 4.232 4.340 0.000 0.000 0.212 59 L C 1.965 178.851 176.870 0.027 0.000 1.103 59 L CA 0.746 55.621 54.840 0.059 0.000 0.769 59 L CB -0.049 42.044 42.059 0.057 0.000 0.908 59 L HN 0.145 nan 8.230 nan 0.000 0.438 60 V N -3.729 116.193 119.914 0.013 0.000 3.177 60 V HA 0.549 4.669 4.120 0.000 0.000 0.342 60 V C 1.157 177.231 176.094 -0.034 0.000 1.379 60 V CA 0.194 62.491 62.300 -0.006 0.000 1.191 60 V CB -0.297 31.525 31.823 -0.001 0.000 1.167 60 V HN 0.439 nan 8.190 nan 0.000 0.471 61 G N 0.627 109.394 108.800 -0.054 0.000 2.176 61 G HA2 -0.270 3.690 3.960 0.000 0.000 0.253 61 G HA3 -0.270 3.690 3.960 0.000 0.000 0.253 61 G C -0.012 174.798 174.900 -0.150 0.000 0.979 61 G CA 0.304 45.352 45.100 -0.086 0.000 0.641 61 G HN 0.698 nan 8.290 nan 0.000 0.530 62 D N 1.501 121.789 120.400 -0.187 0.000 2.468 62 D HA 0.438 5.079 4.640 0.000 0.000 0.218 62 D C 0.934 176.956 176.300 -0.463 0.000 1.155 62 D CA -0.166 53.692 54.000 -0.238 0.000 0.924 62 D CB 0.287 41.004 40.800 -0.137 0.000 1.029 62 D HN 0.333 nan 8.370 nan 0.000 0.515 63 D N 1.848 121.965 120.400 -0.471 0.000 2.358 63 D HA 0.182 4.822 4.640 0.000 0.000 0.224 63 D C 1.324 177.456 176.300 -0.280 0.000 1.123 63 D CA -0.225 53.431 54.000 -0.572 0.000 0.833 63 D CB -0.254 40.349 40.800 -0.328 0.000 0.946 63 D HN 0.405 nan 8.370 nan 0.000 0.505 64 G N 0.481 109.112 108.800 -0.283 0.000 2.221 64 G HA2 -0.228 3.733 3.960 0.000 0.000 0.265 64 G HA3 -0.228 3.733 3.960 0.000 0.000 0.265 64 G C 0.271 174.921 174.900 -0.417 0.000 1.041 64 G CA 0.629 45.577 45.100 -0.254 0.000 0.807 64 G HN 0.843 nan 8.290 nan 0.000 0.502 65 T N -2.343 111.855 114.554 -0.594 0.000 2.908 65 T HA 0.776 5.126 4.350 0.000 0.000 0.290 65 T C -0.708 173.535 174.700 -0.763 0.000 1.034 65 T CA -1.008 60.780 62.100 -0.520 0.000 1.010 65 T CB 2.387 71.134 68.868 -0.202 0.000 1.068 65 T HN 0.562 nan 8.240 nan 0.000 0.481 66 Y N -0.117 120.189 120.300 0.010 0.000 2.492 66 Y HA 0.701 5.251 4.550 0.000 0.000 0.346 66 Y C -0.575 175.337 175.900 0.021 0.000 0.997 66 Y CA -1.200 56.910 58.100 0.016 0.000 1.025 66 Y CB 2.428 40.890 38.460 0.004 0.000 1.263 66 Y HN 0.628 nan 8.280 nan 0.000 0.454 67 V N 1.712 121.730 119.914 0.173 0.000 2.888 67 V HA 0.452 4.572 4.120 0.000 0.000 0.309 67 V C -0.456 175.705 176.094 0.111 0.000 1.114 67 V CA -1.213 61.157 62.300 0.116 0.000 0.940 67 V CB 2.331 34.207 31.823 0.088 0.000 1.021 67 V HN 0.894 nan 8.190 nan 0.000 0.426 68 S N 2.846 118.594 115.700 0.080 0.000 2.584 68 S HA 0.446 4.916 4.470 0.000 0.000 0.270 68 S C 1.333 175.982 174.600 0.082 0.000 1.346 68 S CA 0.231 58.470 58.200 0.066 0.000 1.018 68 S CB 1.457 64.682 63.200 0.042 0.000 0.899 68 S HN 1.343 nan 8.310 nan 0.000 0.542 69 A N 1.624 124.497 122.820 0.088 0.000 1.972 69 A HA -0.070 4.250 4.320 0.000 0.000 0.219 69 A C 2.281 179.901 177.584 0.060 0.000 1.169 69 A CA 1.505 53.592 52.037 0.082 0.000 0.635 69 A CB -0.748 18.305 19.000 0.088 0.000 0.810 69 A HN 0.950 nan 8.150 nan 0.000 0.446 70 R N -0.408 120.123 120.500 0.052 0.000 2.075 70 R HA -0.118 4.222 4.340 0.000 0.000 0.232 70 R C 1.935 178.269 176.300 0.056 0.000 1.126 70 R CA 1.503 57.631 56.100 0.047 0.000 0.963 70 R CB -0.151 30.171 30.300 0.036 0.000 0.858 70 R HN 0.449 nan 8.270 nan 0.000 0.435 71 E N 0.533 120.769 120.200 0.060 0.000 2.077 71 E HA -0.186 4.164 4.350 0.000 0.000 0.193 71 E C 2.054 178.714 176.600 0.099 0.000 0.989 71 E CA 1.218 57.659 56.400 0.069 0.000 0.800 71 E CB -0.177 29.562 29.700 0.065 0.000 0.746 71 E HN 0.429 nan 8.360 nan 0.000 0.452 72 I N 1.629 122.262 120.570 0.104 0.000 2.208 72 I HA -0.304 3.866 4.170 0.000 0.000 0.245 72 I C 2.639 178.860 176.117 0.173 0.000 1.097 72 I CA 1.583 62.966 61.300 0.139 0.000 1.363 72 I CB -0.376 37.647 38.000 0.039 0.000 1.051 72 I HN 0.071 nan 8.210 nan 0.000 0.413 73 S N -0.110 115.652 115.700 0.104 0.000 2.382 73 S HA -0.259 4.212 4.470 0.000 0.000 0.228 73 S C 1.945 176.611 174.600 0.110 0.000 1.027 73 S CA 1.468 59.727 58.200 0.099 0.000 0.991 73 S CB -0.475 62.761 63.200 0.061 0.000 0.823 73 S HN 0.568 nan 8.310 nan 0.000 0.469 74 E N 1.732 121.987 120.200 0.092 0.000 2.046 74 E HA -0.149 4.201 4.350 0.000 0.000 0.190 74 E C 1.956 178.594 176.600 0.064 0.000 0.982 74 E CA 1.197 57.637 56.400 0.066 0.000 0.800 74 E CB -0.362 29.366 29.700 0.047 0.000 0.756 74 E HN 0.768 nan 8.360 nan 0.000 0.449 75 N N -0.953 117.801 118.700 0.090 0.000 2.104 75 N HA -0.181 4.560 4.740 0.000 0.000 0.190 75 N C 1.230 176.679 175.510 -0.101 0.000 1.024 75 N CA 1.158 54.215 53.050 0.011 0.000 0.853 75 N CB -0.082 38.438 38.487 0.056 0.000 1.008 75 N HN 0.209 nan 8.380 nan 0.000 0.424 76 Y N 0.051 120.355 120.300 0.008 0.000 2.482 76 Y HA 0.227 4.777 4.550 0.000 0.000 0.270 76 Y C 1.473 177.376 175.900 0.005 0.000 1.152 76 Y CA -0.075 58.028 58.100 0.006 0.000 1.292 76 Y CB 0.154 38.620 38.460 0.009 0.000 1.070 76 Y HN 0.000 nan 8.280 nan 0.000 0.528 77 G N 1.509 110.375 108.800 0.109 0.000 2.366 77 G HA2 -0.199 3.761 3.960 0.000 0.000 0.299 77 G HA3 -0.199 3.761 3.960 0.000 0.000 0.299 77 G C -0.055 174.893 174.900 0.080 0.000 1.020 77 G CA 0.487 45.628 45.100 0.069 0.000 1.026 77 G HN 0.381 nan 8.290 nan 0.000 0.512 78 V N -2.927 117.046 119.914 0.098 0.000 3.019 78 V HA 0.807 4.927 4.120 0.000 0.000 0.317 78 V C 0.337 176.463 176.094 0.053 0.000 1.094 78 V CA -1.266 61.079 62.300 0.075 0.000 1.000 78 V CB 2.039 33.909 31.823 0.078 0.000 1.060 78 V HN 0.268 nan 8.190 nan 0.000 0.443 79 D N 0.832 121.256 120.400 0.040 0.000 2.425 79 D HA 0.144 4.784 4.640 0.000 0.000 0.247 79 D C 0.682 176.999 176.300 0.028 0.000 1.147 79 D CA -0.139 53.880 54.000 0.032 0.000 0.879 79 D CB 1.393 42.209 40.800 0.027 0.000 1.179 79 D HN 0.673 nan 8.370 nan 0.000 0.456 80 L N 4.256 125.495 121.223 0.028 0.000 2.027 80 L HA -0.056 4.284 4.340 0.000 0.000 0.206 80 L C 1.962 178.845 176.870 0.021 0.000 1.074 80 L CA 1.998 56.854 54.840 0.026 0.000 0.745 80 L CB -0.837 41.239 42.059 0.028 0.000 0.898 80 L HN 0.724 nan 8.230 nan 0.000 0.433 81 E N -0.514 119.697 120.200 0.019 0.000 2.077 81 E HA -0.278 4.072 4.350 0.000 0.000 0.193 81 E C 2.088 178.696 176.600 0.013 0.000 0.989 81 E CA 1.898 58.308 56.400 0.016 0.000 0.800 81 E CB -0.631 29.078 29.700 0.015 0.000 0.746 81 E HN 0.398 nan 8.360 nan 0.000 0.452 82 L N 0.178 121.409 121.223 0.014 0.000 2.093 82 L HA -0.001 4.339 4.340 0.000 0.000 0.208 82 L C 2.243 179.115 176.870 0.003 0.000 1.085 82 L CA 1.522 56.368 54.840 0.011 0.000 0.755 82 L CB -0.732 41.338 42.059 0.017 0.000 0.904 82 L HN 0.426 nan 8.230 nan 0.000 0.435 83 L N -0.568 120.656 121.223 0.003 0.000 2.042 83 L HA -0.254 4.086 4.340 0.000 0.000 0.210 83 L C 2.399 179.259 176.870 -0.017 0.000 1.076 83 L CA 1.872 56.703 54.840 -0.014 0.000 0.749 83 L CB -0.640 41.413 42.059 -0.011 0.000 0.893 83 L HN 0.431 nan 8.230 nan 0.000 0.432 84 Q N -1.010 118.791 119.800 0.001 0.000 2.172 84 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 84 Q C 2.321 178.321 176.000 -0.000 0.000 0.964 84 Q CA 1.160 56.969 55.803 0.010 0.000 0.855 84 Q CB -0.076 28.679 28.738 0.028 0.000 0.918 84 Q HN 0.530 nan 8.270 nan 0.000 0.444 85 R N -0.109 120.390 120.500 -0.002 0.000 2.081 85 R HA -0.119 4.221 4.340 0.000 0.000 0.235 85 R C 2.274 178.563 176.300 -0.019 0.000 1.131 85 R CA 1.310 57.406 56.100 -0.006 0.000 0.960 85 R CB -0.284 30.014 30.300 -0.003 0.000 0.856 85 R HN 0.102 nan 8.270 nan 0.000 0.436 86 V N 1.142 121.041 119.914 -0.026 0.000 2.307 86 V HA -0.248 3.872 4.120 0.000 0.000 0.245 86 V C 2.285 178.341 176.094 -0.063 0.000 1.045 86 V CA 1.670 63.945 62.300 -0.041 0.000 1.024 86 V CB -0.493 31.307 31.823 -0.039 0.000 0.651 86 V HN 0.357 nan 8.190 nan 0.000 0.449 87 Q N -0.216 119.536 119.800 -0.081 0.000 2.077 87 Q HA -0.243 4.097 4.340 0.000 0.000 0.206 87 Q C 2.504 178.448 176.000 -0.094 0.000 0.989 87 Q CA 1.911 57.633 55.803 -0.135 0.000 0.853 87 Q CB -0.258 28.371 28.738 -0.182 0.000 0.907 87 Q HN 0.588 nan 8.270 nan 0.000 0.418 88 R N -0.017 120.458 120.500 -0.041 0.000 2.096 88 R HA -0.082 4.258 4.340 0.000 0.000 0.235 88 R C 2.249 178.535 176.300 -0.023 0.000 1.127 88 R CA 1.099 57.190 56.100 -0.015 0.000 0.968 88 R CB -0.330 29.971 30.300 0.003 0.000 0.861 88 R HN 0.203 nan 8.270 nan 0.000 0.440 89 A N 1.132 123.933 122.820 -0.031 0.000 1.930 89 A HA -0.092 4.228 4.320 0.000 0.000 0.217 89 A C 2.240 179.800 177.584 -0.040 0.000 1.175 89 A CA 1.467 53.486 52.037 -0.031 0.000 0.627 89 A CB -0.376 18.604 19.000 -0.033 0.000 0.815 89 A HN 0.247 nan 8.150 nan 0.000 0.443 90 V N -3.706 116.177 119.914 -0.052 0.000 3.573 90 V HA 0.474 4.594 4.120 0.000 0.000 0.270 90 V C 1.349 177.411 176.094 -0.053 0.000 1.221 90 V CA 0.870 63.136 62.300 -0.057 0.000 1.163 90 V CB -0.792 30.990 31.823 -0.068 0.000 0.847 90 V HN 1.464 nan 8.190 nan 0.000 0.468 91 G N 0.118 108.892 108.800 -0.044 0.000 2.138 91 G HA2 -0.178 3.782 3.960 0.000 0.000 0.193 91 G HA3 -0.178 3.782 3.960 0.000 0.000 0.193 91 G C -0.144 174.746 174.900 -0.017 0.000 0.998 91 G CA 0.037 45.120 45.100 -0.028 0.000 0.668 91 G HN 0.533 nan 8.290 nan 0.000 0.516 92 L N 0.714 121.915 121.223 -0.038 0.000 2.464 92 L HA 0.596 4.937 4.340 0.000 0.000 0.264 92 L C 1.471 178.400 176.870 0.098 0.000 1.199 92 L CA -0.225 54.608 54.840 -0.010 0.000 0.818 92 L CB 0.547 42.469 42.059 -0.228 0.000 1.102 92 L HN 0.359 nan 8.230 nan 0.000 0.473 93 A N 2.140 125.084 122.820 0.207 0.000 2.511 93 A HA 0.178 4.498 4.320 0.000 0.000 0.242 93 A C 0.113 177.819 177.584 0.203 0.000 1.069 93 A CA -0.148 51.986 52.037 0.162 0.000 0.763 93 A CB -0.077 18.981 19.000 0.097 0.000 1.001 93 A HN 0.723 nan 8.150 nan 0.000 0.498 94 R N 1.419 121.974 120.500 0.092 0.000 2.248 94 R HA 0.373 4.713 4.340 0.000 0.000 0.328 94 R C -1.127 175.195 176.300 0.035 0.000 1.067 94 R CA -0.183 55.960 56.100 0.072 0.000 0.924 94 R CB 0.622 30.944 30.300 0.037 0.000 1.013 94 R HN 0.407 nan 8.270 nan 0.000 0.454 95 V N 3.797 123.736 119.914 0.041 0.000 2.378 95 V HA 0.050 4.170 4.120 0.000 0.000 0.288 95 V C 0.338 176.437 176.094 0.009 0.000 1.016 95 V CA -0.573 61.715 62.300 -0.019 0.000 0.840 95 V CB 1.485 33.245 31.823 -0.104 0.000 0.994 95 V HN 0.711 nan 8.190 nan 0.000 0.431 96 D N 1.949 122.347 120.400 -0.002 0.000 2.078 96 D HA -0.094 4.546 4.640 0.000 0.000 0.193 96 D C 0.899 177.202 176.300 0.004 0.000 0.990 96 D CA 1.432 55.434 54.000 0.004 0.000 0.827 96 D CB 0.107 40.906 40.800 -0.002 0.000 0.975 96 D HN 0.681 nan 8.370 nan 0.000 0.451 97 D N 0.732 121.128 120.400 -0.006 0.000 2.358 97 D HA 0.016 4.656 4.640 0.000 0.000 0.258 97 D C -1.571 174.730 176.300 0.001 0.000 1.223 97 D CA -1.652 52.345 54.000 -0.004 0.000 0.886 97 D CB 1.386 42.179 40.800 -0.012 0.000 1.120 97 D HN -0.024 nan 8.370 nan 0.000 0.482 98 P HA -0.104 nan 4.420 nan 0.000 0.223 98 P C 0.229 177.541 177.300 0.021 0.000 1.144 98 P CA 0.844 63.958 63.100 0.023 0.000 0.783 98 P CB 0.478 32.192 31.700 0.024 0.000 0.771 99 D N -0.567 119.839 120.400 0.011 0.000 2.349 99 D HA 0.135 4.775 4.640 0.000 0.000 0.214 99 D C 0.808 177.108 176.300 -0.000 0.000 1.063 99 D CA 0.072 54.078 54.000 0.010 0.000 0.847 99 D CB 0.322 41.127 40.800 0.008 0.000 0.933 99 D HN 0.109 nan 8.370 nan 0.000 0.513 100 A N 1.022 123.833 122.820 -0.015 0.000 2.450 100 A HA 0.277 4.598 4.320 0.000 0.000 0.255 100 A C 0.383 177.942 177.584 -0.042 0.000 1.096 100 A CA -0.217 51.799 52.037 -0.036 0.000 0.778 100 A CB 0.646 19.613 19.000 -0.055 0.000 1.031 100 A HN -0.038 nan 8.150 nan 0.000 0.494 101 V N 4.700 124.589 119.914 -0.041 0.000 2.322 101 V HA 0.187 4.307 4.120 0.000 0.000 0.258 101 V C 0.661 176.702 176.094 -0.089 0.000 1.074 101 V CA 0.121 62.408 62.300 -0.023 0.000 0.909 101 V CB 0.135 31.965 31.823 0.011 0.000 1.090 101 V HN 0.761 nan 8.190 nan 0.000 0.486 102 V N 3.107 122.947 119.914 -0.124 0.000 3.054 102 V HA 0.169 4.289 4.120 0.000 0.000 0.227 102 V C 0.694 176.715 176.094 -0.121 0.000 1.252 102 V CA 0.144 62.303 62.300 -0.235 0.000 1.279 102 V CB -0.130 31.476 31.823 -0.363 0.000 1.118 102 V HN 0.813 nan 8.190 nan 0.000 0.504 103 H N 0.323 119.455 119.070 0.103 0.000 2.707 103 H HA 0.355 4.911 4.556 0.000 0.000 0.359 103 H C 0.237 175.714 175.328 0.248 0.000 1.113 103 H CA -0.271 55.863 56.048 0.143 0.000 1.422 103 H CB 0.310 30.110 29.762 0.064 0.000 1.443 103 H HN 0.204 nan 8.280 nan 0.000 0.591 104 M N 2.111 121.910 119.600 0.331 0.000 2.251 104 M HA -0.103 4.377 4.480 0.000 0.000 0.343 104 M C 1.973 178.295 176.300 0.037 0.000 1.245 104 M CA 0.538 55.877 55.300 0.066 0.000 1.061 104 M CB 0.572 33.165 32.600 -0.010 0.000 1.723 104 M HN 0.701 nan 8.290 nan 0.000 0.449 105 R N 2.648 123.119 120.500 -0.048 0.000 2.103 105 R HA -0.202 4.139 4.340 0.000 0.000 0.242 105 R C 1.878 178.164 176.300 -0.023 0.000 1.142 105 R CA 2.232 58.323 56.100 -0.015 0.000 0.960 105 R CB -0.227 30.050 30.300 -0.039 0.000 0.858 105 R HN 0.896 nan 8.270 nan 0.000 0.439 106 A N 0.577 123.367 122.820 -0.051 0.000 2.015 106 A HA -0.145 4.175 4.320 0.000 0.000 0.219 106 A C 1.508 179.058 177.584 -0.057 0.000 1.163 106 A CA 1.718 53.726 52.037 -0.048 0.000 0.646 106 A CB -0.313 18.652 19.000 -0.058 0.000 0.806 106 A HN 0.386 nan 8.150 nan 0.000 0.448 107 D N -0.204 120.165 120.400 -0.051 0.000 2.117 107 D HA -0.045 4.595 4.640 0.000 0.000 0.198 107 D C 2.108 178.335 176.300 -0.121 0.000 0.982 107 D CA 1.476 55.430 54.000 -0.078 0.000 0.828 107 D CB -0.665 40.096 40.800 -0.064 0.000 0.967 107 D HN 0.403 nan 8.370 nan 0.000 0.464 108 G N 0.680 109.426 108.800 -0.091 0.000 2.402 108 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 108 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 108 G C 1.494 176.271 174.900 -0.206 0.000 1.162 108 G CA 0.391 45.423 45.100 -0.114 0.000 0.777 108 G HN 0.269 nan 8.290 nan 0.000 0.539 109 E N 0.521 120.598 120.200 -0.206 0.000 2.110 109 E HA -0.043 4.308 4.350 0.000 0.000 0.193 109 E C 2.878 179.259 176.600 -0.365 0.000 0.988 109 E CA 0.755 56.924 56.400 -0.384 0.000 0.804 109 E CB -0.139 29.501 29.700 -0.101 0.000 0.745 109 E HN 0.421 nan 8.360 nan 0.000 0.458 110 A N 1.386 124.095 122.820 -0.185 0.000 1.929 110 A HA -0.016 4.304 4.320 0.000 0.000 0.216 110 A C 2.372 179.882 177.584 -0.123 0.000 1.176 110 A CA 1.381 53.347 52.037 -0.118 0.000 0.628 110 A CB -0.454 18.504 19.000 -0.070 0.000 0.816 110 A HN 0.277 nan 8.150 nan 0.000 0.444 111 A N -0.135 122.594 122.820 -0.152 0.000 1.972 111 A HA 0.196 4.517 4.320 0.000 0.000 0.219 111 A C 2.401 179.905 177.584 -0.132 0.000 1.169 111 A CA 1.826 53.787 52.037 -0.127 0.000 0.635 111 A CB -0.782 18.134 19.000 -0.140 0.000 0.810 111 A HN 0.978 nan 8.150 nan 0.000 0.446 112 A N -0.074 122.598 122.820 -0.247 0.000 1.969 112 A HA -0.101 4.220 4.320 0.000 0.000 0.218 112 A C 2.131 179.641 177.584 -0.123 0.000 1.169 112 A CA 1.226 53.102 52.037 -0.267 0.000 0.635 112 A CB -0.368 18.213 19.000 -0.697 0.000 0.810 112 A HN 0.538 nan 8.150 nan 0.000 0.445 113 R N -0.336 120.100 120.500 -0.108 0.000 2.307 113 R HA 0.122 4.462 4.340 0.000 0.000 0.199 113 R C 2.038 178.399 176.300 0.102 0.000 1.000 113 R CA 0.596 56.715 56.100 0.032 0.000 1.023 113 R CB -0.280 30.050 30.300 0.049 0.000 0.908 113 R HN 0.488 nan 8.270 nan 0.000 0.473 114 A N 1.053 123.931 122.820 0.096 0.000 2.067 114 A HA -0.207 4.113 4.320 0.000 0.000 0.219 114 A C 2.032 179.757 177.584 0.234 0.000 1.158 114 A CA 0.966 53.120 52.037 0.195 0.000 0.661 114 A CB -0.272 18.771 19.000 0.072 0.000 0.801 114 A HN 0.334 nan 8.150 nan 0.000 0.452 115 Q N -0.399 119.475 119.800 0.124 0.000 2.291 115 Q HA -0.133 4.207 4.340 0.000 0.000 0.205 115 Q C 1.959 178.010 176.000 0.086 0.000 0.970 115 Q CA 1.002 56.865 55.803 0.101 0.000 0.876 115 Q CB -0.080 28.696 28.738 0.064 0.000 0.935 115 Q HN 0.655 nan 8.270 nan 0.000 0.455 116 R N -0.605 119.921 120.500 0.043 0.000 2.117 116 R HA -0.177 4.163 4.340 0.000 0.000 0.243 116 R C 1.762 177.975 176.300 -0.145 0.000 1.143 116 R CA 1.996 58.039 56.100 -0.095 0.000 0.968 116 R CB -0.317 29.849 30.300 -0.223 0.000 0.863 116 R HN 0.298 nan 8.270 nan 0.000 0.444 117 F N -0.558 119.401 119.950 0.014 0.000 2.234 117 F HA -0.160 4.367 4.527 0.000 0.000 0.299 117 F C 2.244 178.049 175.800 0.009 0.000 1.087 117 F CA 0.874 58.881 58.000 0.011 0.000 1.340 117 F CB -0.353 38.653 39.000 0.009 0.000 1.031 117 F HN -0.183 nan 8.300 nan 0.000 0.500 118 V N -0.249 119.770 119.914 0.174 0.000 2.379 118 V HA -0.215 3.906 4.120 0.000 0.000 0.245 118 V C 2.023 178.152 176.094 0.058 0.000 1.044 118 V CA 1.615 63.975 62.300 0.099 0.000 1.036 118 V CB -0.580 31.290 31.823 0.078 0.000 0.664 118 V HN 0.294 nan 8.190 nan 0.000 0.453 119 E N 0.199 120.422 120.200 0.037 0.000 2.273 119 E HA -0.211 4.139 4.350 0.000 0.000 0.198 119 E C 2.027 178.630 176.600 0.005 0.000 1.002 119 E CA 1.087 57.494 56.400 0.012 0.000 0.828 119 E CB -0.188 29.508 29.700 -0.007 0.000 0.747 119 E HN 0.538 nan 8.360 nan 0.000 0.491 120 L N -0.974 120.255 121.223 0.009 0.000 2.395 120 L HA 0.054 4.394 4.340 0.000 0.000 0.218 120 L C 1.559 178.443 176.870 0.025 0.000 1.130 120 L CA 0.636 55.481 54.840 0.009 0.000 0.826 120 L CB 0.124 42.188 42.059 0.009 0.000 0.941 120 L HN 0.328 nan 8.230 nan 0.000 0.451 121 G N -0.303 108.518 108.800 0.035 0.000 2.205 121 G HA2 -0.178 3.782 3.960 0.000 0.000 0.180 121 G HA3 -0.178 3.782 3.960 0.000 0.000 0.180 121 G C 0.100 175.024 174.900 0.040 0.000 1.004 121 G CA -0.621 44.498 45.100 0.032 0.000 0.670 121 G HN 0.108 nan 8.290 nan 0.000 0.496 122 L N 1.124 122.383 121.223 0.060 0.000 2.397 122 L HA 0.353 4.693 4.340 0.000 0.000 0.271 122 L C 0.799 177.697 176.870 0.048 0.000 1.148 122 L CA -0.952 53.925 54.840 0.061 0.000 0.825 122 L CB 0.632 42.750 42.059 0.097 0.000 1.117 122 L HN 0.131 nan 8.230 nan 0.000 0.456 123 N N 3.968 122.688 118.700 0.032 0.000 2.440 123 N HA 0.018 4.759 4.740 0.000 0.000 0.265 123 N C -1.726 173.797 175.510 0.023 0.000 1.239 123 N CA -1.359 51.705 53.050 0.023 0.000 0.909 123 N CB 1.191 39.687 38.487 0.014 0.000 1.066 123 N HN 0.275 nan 8.380 nan 0.000 0.474 124 P HA -0.142 nan 4.420 nan 0.000 0.217 124 P C 0.450 177.756 177.300 0.009 0.000 1.151 124 P CA 1.234 64.346 63.100 0.021 0.000 0.849 124 P CB 0.315 32.027 31.700 0.020 0.000 0.787 125 D N -1.103 119.300 120.400 0.006 0.000 2.144 125 D HA -0.153 4.487 4.640 0.000 0.000 0.199 125 D C 2.039 178.335 176.300 -0.007 0.000 0.984 125 D CA 1.195 55.195 54.000 -0.001 0.000 0.834 125 D CB -0.510 40.290 40.800 0.001 0.000 0.955 125 D HN 0.155 nan 8.370 nan 0.000 0.465 126 Q N 0.006 119.802 119.800 -0.007 0.000 2.137 126 Q HA 0.003 4.344 4.340 0.000 0.000 0.198 126 Q C 2.321 178.300 176.000 -0.034 0.000 0.960 126 Q CA 0.207 56.000 55.803 -0.016 0.000 0.847 126 Q CB -0.223 28.509 28.738 -0.011 0.000 0.915 126 Q HN 0.108 nan 8.270 nan 0.000 0.448 127 V N -0.416 119.480 119.914 -0.029 0.000 2.332 127 V HA -0.247 3.873 4.120 0.000 0.000 0.248 127 V C 2.071 178.124 176.094 -0.069 0.000 1.055 127 V CA 1.578 63.842 62.300 -0.060 0.000 1.038 127 V CB -0.620 31.197 31.823 -0.009 0.000 0.651 127 V HN 0.170 nan 8.190 nan 0.000 0.450 128 V N -0.260 119.631 119.914 -0.038 0.000 2.407 128 V HA -0.225 3.895 4.120 0.000 0.000 0.248 128 V C 2.341 178.410 176.094 -0.041 0.000 1.055 128 V CA 2.114 64.392 62.300 -0.036 0.000 1.049 128 V CB -0.501 31.309 31.823 -0.020 0.000 0.662 128 V HN 0.565 nan 8.190 nan 0.000 0.455 129 L N -0.144 121.057 121.223 -0.037 0.000 2.056 129 L HA -0.088 4.252 4.340 0.000 0.000 0.207 129 L C 2.338 179.180 176.870 -0.047 0.000 1.078 129 L CA 1.862 56.681 54.840 -0.034 0.000 0.749 129 L CB -0.542 41.501 42.059 -0.026 0.000 0.901 129 L HN 0.097 nan 8.230 nan 0.000 0.433 130 V N -0.117 119.756 119.914 -0.067 0.000 2.255 130 V HA -0.293 3.827 4.120 0.000 0.000 0.247 130 V C 2.718 178.756 176.094 -0.094 0.000 1.051 130 V CA 1.971 64.217 62.300 -0.090 0.000 1.018 130 V CB -0.892 30.848 31.823 -0.138 0.000 0.641 130 V HN 0.568 nan 8.190 nan 0.000 0.445 131 V N -0.315 119.535 119.914 -0.105 0.000 2.407 131 V HA -0.266 3.854 4.120 0.000 0.000 0.248 131 V C 2.452 178.508 176.094 -0.063 0.000 1.055 131 V CA 2.351 64.595 62.300 -0.093 0.000 1.049 131 V CB -1.010 30.757 31.823 -0.093 0.000 0.662 131 V HN 0.498 nan 8.190 nan 0.000 0.455 132 R N 0.445 120.914 120.500 -0.051 0.000 2.080 132 R HA -0.118 4.222 4.340 0.000 0.000 0.236 132 R C 2.215 178.497 176.300 -0.030 0.000 1.137 132 R CA 2.450 58.528 56.100 -0.037 0.000 0.943 132 R CB -0.734 29.549 30.300 -0.028 0.000 0.846 132 R HN 0.428 nan 8.270 nan 0.000 0.431 133 V N 1.136 121.034 119.914 -0.026 0.000 2.295 133 V HA -0.231 3.889 4.120 0.000 0.000 0.246 133 V C 2.299 178.388 176.094 -0.009 0.000 1.049 133 V CA 1.701 63.994 62.300 -0.012 0.000 1.024 133 V CB -0.587 31.229 31.823 -0.012 0.000 0.648 133 V HN 0.374 nan 8.190 nan 0.000 0.447 134 L N 0.839 122.047 121.223 -0.026 0.000 2.042 134 L HA -0.120 4.221 4.340 0.000 0.000 0.210 134 L C 2.447 179.304 176.870 -0.023 0.000 1.076 134 L CA 2.409 57.235 54.840 -0.022 0.000 0.749 134 L CB -0.978 41.056 42.059 -0.043 0.000 0.893 134 L HN 0.242 nan 8.230 nan 0.000 0.432 135 A N -1.210 121.588 122.820 -0.037 0.000 1.933 135 A HA -0.243 4.078 4.320 0.000 0.000 0.218 135 A C 2.335 179.879 177.584 -0.067 0.000 1.175 135 A CA 1.744 53.752 52.037 -0.048 0.000 0.628 135 A CB -0.650 18.319 19.000 -0.051 0.000 0.814 135 A HN 0.598 nan 8.150 nan 0.000 0.444 136 E N -0.593 119.574 120.200 -0.054 0.000 2.072 136 E HA -0.120 4.230 4.350 0.000 0.000 0.191 136 E C 2.122 178.671 176.600 -0.084 0.000 0.985 136 E CA 0.947 57.297 56.400 -0.083 0.000 0.801 136 E CB -0.332 29.369 29.700 0.002 0.000 0.750 136 E HN 0.542 nan 8.360 nan 0.000 0.452 137 G N 1.121 109.948 108.800 0.046 0.000 2.418 137 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 137 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 137 G C 1.570 176.520 174.900 0.083 0.000 1.158 137 G CA 0.449 45.636 45.100 0.145 0.000 0.771 137 G HN 0.185 nan 8.290 nan 0.000 0.545 138 L N 0.715 121.942 121.223 0.007 0.000 2.291 138 L HA 0.002 4.342 4.340 0.000 0.000 0.214 138 L C 3.078 179.921 176.870 -0.045 0.000 1.120 138 L CA 0.444 55.281 54.840 -0.005 0.000 0.799 138 L CB -0.218 41.833 42.059 -0.013 0.000 0.925 138 L HN 0.157 nan 8.230 nan 0.000 0.446 139 S N -0.897 114.721 115.700 -0.137 0.000 2.365 139 S HA -0.202 4.268 4.470 0.000 0.000 0.225 139 S C 1.893 176.394 174.600 -0.166 0.000 1.039 139 S CA 1.220 59.296 58.200 -0.207 0.000 1.033 139 S CB -0.342 62.633 63.200 -0.375 0.000 0.887 139 S HN 0.499 nan 8.310 nan 0.000 0.447 140 H N 0.629 119.720 119.070 0.034 0.000 2.457 140 H HA 0.135 4.691 4.556 0.000 0.000 0.294 140 H C 2.248 177.607 175.328 0.050 0.000 1.064 140 H CA 1.130 57.210 56.048 0.053 0.000 1.330 140 H CB -0.469 29.324 29.762 0.051 0.000 1.395 140 H HN 0.451 nan 8.280 nan 0.000 0.541 141 A N 0.929 123.820 122.820 0.119 0.000 1.975 141 A HA 0.172 4.493 4.320 0.000 0.000 0.215 141 A C 2.624 180.220 177.584 0.019 0.000 1.170 141 A CA 0.958 53.031 52.037 0.061 0.000 0.656 141 A CB -0.361 18.665 19.000 0.044 0.000 0.821 141 A HN 0.386 nan 8.150 nan 0.000 0.449 142 A N -0.127 122.703 122.820 0.016 0.000 1.897 142 A HA -0.130 4.190 4.320 0.000 0.000 0.215 142 A C 2.018 179.614 177.584 0.020 0.000 1.181 142 A CA 1.592 53.631 52.037 0.005 0.000 0.620 142 A CB -0.472 18.527 19.000 -0.001 0.000 0.821 142 A HN 0.609 nan 8.150 nan 0.000 0.443 143 E N 0.096 120.335 120.200 0.065 0.000 2.077 143 E HA -0.161 4.189 4.350 0.000 0.000 0.193 143 E C 2.142 178.838 176.600 0.159 0.000 0.989 143 E CA 1.111 57.598 56.400 0.144 0.000 0.800 143 E CB -0.232 29.585 29.700 0.196 0.000 0.746 143 E HN 0.513 nan 8.360 nan 0.000 0.452 144 A N 1.016 123.875 122.820 0.066 0.000 1.902 144 A HA -0.149 4.171 4.320 0.000 0.000 0.217 144 A C 2.148 179.399 177.584 -0.555 0.000 1.181 144 A CA 1.368 53.267 52.037 -0.231 0.000 0.623 144 A CB -0.362 18.610 19.000 -0.047 0.000 0.818 144 A HN 0.277 nan 8.150 nan 0.000 0.443 145 M N -0.930 118.522 119.600 -0.246 0.000 2.374 145 M HA -0.052 4.428 4.480 0.000 0.000 0.264 145 M C 2.088 178.275 176.300 -0.188 0.000 1.067 145 M CA 1.134 56.314 55.300 -0.200 0.000 1.103 145 M CB -1.053 31.492 32.600 -0.091 0.000 1.402 145 M HN 0.543 nan 8.290 nan 0.000 0.444 146 R N -0.016 120.396 120.500 -0.146 0.000 2.057 146 R HA -0.177 4.164 4.340 0.000 0.000 0.229 146 R C 2.323 178.618 176.300 -0.009 0.000 1.136 146 R CA 1.828 57.911 56.100 -0.028 0.000 0.952 146 R CB -0.291 30.052 30.300 0.071 0.000 0.848 146 R HN 0.459 nan 8.270 nan 0.000 0.430 147 Y N -1.321 118.987 120.300 0.014 0.000 2.395 147 Y HA 0.187 4.738 4.550 0.000 0.000 0.293 147 Y C 2.013 177.918 175.900 0.008 0.000 1.123 147 Y CA 0.651 58.756 58.100 0.009 0.000 1.227 147 Y CB -0.866 37.598 38.460 0.006 0.000 1.012 147 Y HN -0.145 nan 8.280 nan 0.000 0.552 148 T N 1.048 115.330 114.554 -0.454 0.000 2.520 148 T HA -0.178 4.172 4.350 0.000 0.000 0.258 148 T C 2.087 176.728 174.700 -0.098 0.000 1.125 148 T CA 2.491 64.440 62.100 -0.251 0.000 1.206 148 T CB -0.699 67.983 68.868 -0.312 0.000 0.864 148 T HN 0.563 nan 8.240 nan 0.000 0.400 149 A N -0.136 122.624 122.820 -0.100 0.000 1.938 149 A HA 0.342 4.662 4.320 0.000 0.000 0.207 149 A C 2.027 179.596 177.584 -0.025 0.000 1.292 149 A CA 0.225 52.233 52.037 -0.049 0.000 0.700 149 A CB -0.819 18.152 19.000 -0.049 0.000 0.947 149 A HN 0.357 nan 8.150 nan 0.000 0.476 150 L N 0.080 121.288 121.223 -0.026 0.000 2.265 150 L HA -0.068 4.272 4.340 0.000 0.000 0.215 150 L C 1.938 178.815 176.870 0.011 0.000 1.117 150 L CA 2.150 56.988 54.840 -0.003 0.000 0.782 150 L CB -0.392 41.669 42.059 0.003 0.000 0.914 150 L HN 0.442 nan 8.230 nan 0.000 0.441 151 E N -0.907 119.305 120.200 0.021 0.000 2.086 151 E HA 0.042 4.392 4.350 0.000 0.000 0.190 151 E C 2.240 178.855 176.600 0.026 0.000 0.975 151 E CA 1.039 57.462 56.400 0.037 0.000 0.813 151 E CB -0.252 29.493 29.700 0.074 0.000 0.768 151 E HN 0.463 nan 8.360 nan 0.000 0.457 152 A N 0.805 123.637 122.820 0.020 0.000 1.917 152 A HA -0.225 4.095 4.320 0.000 0.000 0.219 152 A C 2.206 179.793 177.584 0.005 0.000 1.182 152 A CA 1.587 53.632 52.037 0.013 0.000 0.633 152 A CB -0.884 18.120 19.000 0.007 0.000 0.819 152 A HN 0.313 nan 8.150 nan 0.000 0.448 153 I N -0.955 119.615 120.570 -0.000 0.000 2.335 153 I HA -0.220 3.950 4.170 0.000 0.000 0.251 153 I C 1.116 177.229 176.117 -0.008 0.000 1.129 153 I CA 0.923 62.219 61.300 -0.007 0.000 1.402 153 I CB -0.256 37.739 38.000 -0.009 0.000 1.069 153 I HN 0.299 nan 8.210 nan 0.000 0.424 154 M N 1.907 121.507 119.600 -0.000 0.000 3.213 154 M HA 0.168 4.648 4.480 0.000 0.000 0.275 154 M C -0.091 176.209 176.300 -0.000 0.000 1.424 154 M CA 0.309 55.608 55.300 -0.001 0.000 1.561 154 M CB -0.148 32.456 32.600 0.007 0.000 1.109 154 M HN 0.078 nan 8.290 nan 0.000 0.552 155 R N 1.192 121.688 120.500 -0.006 0.000 2.486 155 R HA 0.307 4.647 4.340 0.000 0.000 0.286 155 R C -1.462 174.834 176.300 -0.007 0.000 0.999 155 R CA -1.624 54.473 56.100 -0.005 0.000 0.993 155 R CB 0.586 30.882 30.300 -0.007 0.000 1.084 155 R HN 0.239 nan 8.270 nan 0.000 0.487 156 P HA -0.227 nan 4.420 nan 0.000 0.222 156 P C 1.001 178.296 177.300 -0.008 0.000 1.157 156 P CA 1.614 64.711 63.100 -0.005 0.000 0.905 156 P CB 0.129 31.827 31.700 -0.004 0.000 0.792 157 G N -2.021 106.772 108.800 -0.011 0.000 3.042 157 G HA2 0.301 4.261 3.960 0.000 0.000 0.212 157 G HA3 0.301 4.261 3.960 0.000 0.000 0.212 157 G C 0.411 175.300 174.900 -0.019 0.000 1.166 157 G CA 0.373 45.465 45.100 -0.013 0.000 0.767 157 G HN 0.517 nan 8.290 nan 0.000 0.546 158 A N 1.077 123.884 122.820 -0.022 0.000 2.331 158 A HA 0.605 4.925 4.320 0.000 0.000 0.283 158 A C 0.949 178.512 177.584 -0.035 0.000 1.142 158 A CA 0.090 52.107 52.037 -0.032 0.000 0.812 158 A CB 0.217 19.196 19.000 -0.035 0.000 1.074 158 A HN 0.401 nan 8.150 nan 0.000 0.497 159 T N 0.115 114.641 114.554 -0.046 0.000 2.726 159 T HA 0.188 4.538 4.350 0.000 0.000 0.294 159 T C 0.816 175.482 174.700 -0.056 0.000 1.013 159 T CA 0.343 62.415 62.100 -0.047 0.000 0.996 159 T CB 0.397 69.233 68.868 -0.054 0.000 1.016 159 T HN 0.667 nan 8.240 nan 0.000 0.529 160 E N -0.427 119.744 120.200 -0.048 0.000 2.153 160 E HA -0.072 4.278 4.350 0.000 0.000 0.194 160 E C 1.868 178.413 176.600 -0.093 0.000 0.988 160 E CA 0.609 56.982 56.400 -0.046 0.000 0.811 160 E CB -0.193 29.497 29.700 -0.017 0.000 0.746 160 E HN 0.519 nan 8.360 nan 0.000 0.466 161 L N 1.417 122.562 121.223 -0.131 0.000 2.072 161 L HA -0.134 4.206 4.340 0.000 0.000 0.205 161 L C 1.500 178.179 176.870 -0.318 0.000 1.079 161 L CA 1.766 56.450 54.840 -0.260 0.000 0.752 161 L CB -0.245 41.673 42.059 -0.236 0.000 0.906 161 L HN -0.058 nan 8.230 nan 0.000 0.436 162 D N -0.029 120.251 120.400 -0.201 0.000 2.106 162 D HA -0.233 4.407 4.640 0.000 0.000 0.191 162 D C 2.313 178.519 176.300 -0.156 0.000 0.997 162 D CA 2.104 56.003 54.000 -0.168 0.000 0.834 162 D CB -0.185 40.553 40.800 -0.104 0.000 0.956 162 D HN 0.427 nan 8.370 nan 0.000 0.448 163 I N 1.147 121.645 120.570 -0.118 0.000 2.179 163 I HA -0.269 3.901 4.170 0.000 0.000 0.242 163 I C 2.510 178.571 176.117 -0.093 0.000 1.088 163 I CA 1.141 62.393 61.300 -0.081 0.000 1.357 163 I CB -0.181 37.791 38.000 -0.047 0.000 1.051 163 I HN -0.072 nan 8.210 nan 0.000 0.409 164 A N 0.558 123.290 122.820 -0.148 0.000 1.902 164 A HA -0.230 4.090 4.320 0.000 0.000 0.217 164 A C 2.317 179.757 177.584 -0.240 0.000 1.181 164 A CA 1.679 53.626 52.037 -0.150 0.000 0.623 164 A CB -0.452 18.436 19.000 -0.187 0.000 0.818 164 A HN 0.299 nan 8.150 nan 0.000 0.443 165 K N -0.887 119.241 120.400 -0.454 0.000 2.057 165 K HA -0.090 4.230 4.320 0.000 0.000 0.207 165 K C 2.101 178.636 176.600 -0.107 0.000 1.049 165 K CA 1.122 57.207 56.287 -0.336 0.000 0.931 165 K CB -0.414 31.851 32.500 -0.392 0.000 0.714 165 K HN 0.474 nan 8.250 nan 0.000 0.440 166 G N 0.153 108.894 108.800 -0.098 0.000 2.408 166 G HA2 -0.198 3.763 3.960 0.000 0.000 0.217 166 G HA3 -0.198 3.763 3.960 0.000 0.000 0.217 166 G C 1.471 176.364 174.900 -0.011 0.000 1.150 166 G CA 0.724 45.797 45.100 -0.044 0.000 0.776 166 G HN 0.177 nan 8.290 nan 0.000 0.542 167 S N 0.138 115.836 115.700 -0.003 0.000 2.383 167 S HA -0.109 4.362 4.470 0.000 0.000 0.227 167 S C 2.244 176.879 174.600 0.059 0.000 1.026 167 S CA 1.449 59.665 58.200 0.027 0.000 0.981 167 S CB -0.174 63.048 63.200 0.037 0.000 0.818 167 S HN 0.430 nan 8.310 nan 0.000 0.472 168 Q N 1.652 121.508 119.800 0.093 0.000 2.084 168 Q HA -0.006 4.334 4.340 0.000 0.000 0.202 168 Q C 2.091 178.144 176.000 0.089 0.000 0.978 168 Q CA 1.714 57.600 55.803 0.139 0.000 0.844 168 Q CB -0.555 28.342 28.738 0.265 0.000 0.898 168 Q HN 0.505 nan 8.270 nan 0.000 0.426 169 A N -0.058 122.799 122.820 0.061 0.000 1.873 169 A HA -0.129 4.191 4.320 0.000 0.000 0.215 169 A C 2.031 179.632 177.584 0.027 0.000 1.186 169 A CA 1.358 53.419 52.037 0.040 0.000 0.616 169 A CB -0.933 18.080 19.000 0.022 0.000 0.823 169 A HN 0.470 nan 8.150 nan 0.000 0.442 170 L N -0.025 121.210 121.223 0.020 0.000 1.989 170 L HA -0.153 4.187 4.340 0.000 0.000 0.211 170 L C 2.398 179.278 176.870 0.016 0.000 1.071 170 L CA 2.165 57.012 54.840 0.012 0.000 0.749 170 L CB -0.398 41.664 42.059 0.006 0.000 0.890 170 L HN 0.165 nan 8.230 nan 0.000 0.431 171 V N -1.044 118.886 119.914 0.026 0.000 2.427 171 V HA -0.224 3.896 4.120 0.000 0.000 0.248 171 V C 2.528 178.638 176.094 0.027 0.000 1.051 171 V CA 1.720 64.035 62.300 0.026 0.000 1.048 171 V CB -0.508 31.337 31.823 0.037 0.000 0.666 171 V HN 0.495 nan 8.190 nan 0.000 0.456 172 S N -0.443 115.278 115.700 0.035 0.000 2.382 172 S HA -0.257 4.214 4.470 0.000 0.000 0.228 172 S C 1.953 176.565 174.600 0.020 0.000 1.027 172 S CA 1.551 59.769 58.200 0.031 0.000 0.991 172 S CB -0.232 62.992 63.200 0.039 0.000 0.823 172 S HN 0.685 nan 8.310 nan 0.000 0.469 173 Q N -0.501 119.309 119.800 0.016 0.000 2.339 173 Q HA 0.218 4.558 4.340 0.000 0.000 0.205 173 Q C 1.732 177.735 176.000 0.004 0.000 0.925 173 Q CA 0.415 56.224 55.803 0.010 0.000 0.898 173 Q CB 0.142 28.885 28.738 0.009 0.000 1.013 173 Q HN 0.412 nan 8.270 nan 0.000 0.504 174 I N -0.426 120.146 120.570 0.004 0.000 2.429 174 I HA -0.134 4.036 4.170 0.000 0.000 0.247 174 I C 2.228 178.344 176.117 -0.001 0.000 1.099 174 I CA 0.650 61.949 61.300 -0.002 0.000 1.422 174 I CB -0.649 37.348 38.000 -0.005 0.000 1.112 174 I HN 0.044 nan 8.210 nan 0.000 0.430 175 V N 3.430 123.346 119.914 0.003 0.000 2.332 175 V HA -0.148 3.972 4.120 0.000 0.000 0.248 175 V C -0.329 175.765 176.094 -0.000 0.000 1.055 175 V CA 2.209 64.510 62.300 0.002 0.000 1.038 175 V CB -1.428 30.400 31.823 0.007 0.000 0.651 175 V HN 0.226 nan 8.190 nan 0.000 0.450 176 P HA -0.077 nan 4.420 nan 0.000 0.230 176 P C 1.607 178.902 177.300 -0.008 0.000 1.158 176 P CA 1.213 64.311 63.100 -0.003 0.000 0.769 176 P CB 0.018 31.718 31.700 -0.001 0.000 0.807 177 L N -1.714 119.505 121.223 -0.008 0.000 2.354 177 L HA 0.018 4.359 4.340 0.000 0.000 0.212 177 L C 2.412 179.274 176.870 -0.012 0.000 1.091 177 L CA 0.246 55.079 54.840 -0.011 0.000 0.828 177 L CB -0.666 41.388 42.059 -0.009 0.000 0.973 177 L HN -0.038 nan 8.230 nan 0.000 0.461 178 L N 0.463 121.680 121.223 -0.009 0.000 2.023 178 L HA 0.037 4.378 4.340 0.000 0.000 0.205 178 L C 2.411 179.277 176.870 -0.007 0.000 1.073 178 L CA 2.026 56.861 54.840 -0.008 0.000 0.745 178 L CB -1.056 40.998 42.059 -0.007 0.000 0.900 178 L HN 0.110 nan 8.230 nan 0.000 0.435 179 G N -0.137 108.659 108.800 -0.007 0.000 2.514 179 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 179 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 179 G C -0.590 174.299 174.900 -0.019 0.000 1.198 179 G CA 1.075 46.171 45.100 -0.007 0.000 0.780 179 G HN 0.364 nan 8.290 nan 0.000 0.565 180 P HA -0.123 nan 4.420 nan 0.000 0.216 180 P C 1.950 179.218 177.300 -0.053 0.000 1.150 180 P CA 1.380 64.448 63.100 -0.054 0.000 0.843 180 P CB -0.116 31.555 31.700 -0.049 0.000 0.787 181 M N -1.036 118.546 119.600 -0.029 0.000 2.117 181 M HA -0.117 4.364 4.480 0.000 0.000 0.262 181 M C 1.872 178.169 176.300 -0.006 0.000 1.065 181 M CA 1.868 57.157 55.300 -0.018 0.000 1.114 181 M CB -1.070 31.525 32.600 -0.009 0.000 1.361 181 M HN -0.207 nan 8.290 nan 0.000 0.408 182 I N -0.667 119.904 120.570 0.000 0.000 2.315 182 I HA -0.284 3.886 4.170 0.000 0.000 0.248 182 I C 2.566 178.702 176.117 0.033 0.000 1.117 182 I CA 1.370 62.682 61.300 0.020 0.000 1.404 182 I CB -0.610 37.403 38.000 0.021 0.000 1.071 182 I HN 0.483 nan 8.210 nan 0.000 0.419 183 Q N 0.911 120.710 119.800 -0.002 0.000 2.061 183 Q HA -0.264 4.077 4.340 0.000 0.000 0.204 183 Q C 1.759 177.721 176.000 -0.064 0.000 0.984 183 Q CA 1.997 57.779 55.803 -0.035 0.000 0.846 183 Q CB 0.040 28.686 28.738 -0.154 0.000 0.902 183 Q HN 0.429 nan 8.270 nan 0.000 0.421 184 D N 0.036 120.384 120.400 -0.087 0.000 2.104 184 D HA -0.196 4.444 4.640 0.000 0.000 0.194 184 D C 1.927 178.273 176.300 0.076 0.000 0.994 184 D CA 1.470 55.446 54.000 -0.040 0.000 0.830 184 D CB -0.214 40.566 40.800 -0.033 0.000 0.959 184 D HN 0.370 nan 8.370 nan 0.000 0.452 185 M N -0.245 119.395 119.600 0.067 0.000 2.159 185 M HA -0.137 4.343 4.480 0.000 0.000 0.263 185 M C 2.172 178.547 176.300 0.125 0.000 1.063 185 M CA 0.688 56.039 55.300 0.084 0.000 1.110 185 M CB -0.116 32.517 32.600 0.056 0.000 1.374 185 M HN 0.026 nan 8.290 nan 0.000 0.411 186 L N -0.137 121.187 121.223 0.168 0.000 2.056 186 L HA -0.102 4.238 4.340 0.000 0.000 0.207 186 L C 1.949 178.978 176.870 0.265 0.000 1.078 186 L CA 1.884 56.845 54.840 0.202 0.000 0.749 186 L CB -0.597 41.607 42.059 0.242 0.000 0.901 186 L HN 0.143 nan 8.230 nan 0.000 0.433 187 F N -1.179 118.790 119.950 0.032 0.000 2.234 187 F HA -0.224 4.303 4.527 0.000 0.000 0.299 187 F C 2.333 178.158 175.800 0.042 0.000 1.087 187 F CA 0.946 58.967 58.000 0.035 0.000 1.340 187 F CB -0.232 38.785 39.000 0.029 0.000 1.031 187 F HN 0.072 nan 8.300 nan 0.000 0.500 188 M N -0.424 119.307 119.600 0.218 0.000 2.080 188 M HA -0.284 4.196 4.480 0.000 0.000 0.260 188 M C 2.082 178.464 176.300 0.137 0.000 1.068 188 M CA 1.790 57.178 55.300 0.148 0.000 1.109 188 M CB -0.618 32.051 32.600 0.114 0.000 1.342 188 M HN 0.191 nan 8.290 nan 0.000 0.405 189 Q N 0.041 119.909 119.800 0.114 0.000 2.245 189 Q HA -0.010 4.330 4.340 0.000 0.000 0.201 189 Q C 2.029 178.082 176.000 0.089 0.000 0.955 189 Q CA 0.904 56.765 55.803 0.096 0.000 0.870 189 Q CB 0.004 28.774 28.738 0.052 0.000 0.945 189 Q HN 0.572 nan 8.270 nan 0.000 0.461 190 L N -0.123 121.119 121.223 0.031 0.000 2.240 190 L HA -0.086 4.255 4.340 0.000 0.000 0.211 190 L C 2.357 179.219 176.870 -0.014 0.000 1.106 190 L CA 0.712 55.531 54.840 -0.036 0.000 0.793 190 L CB -0.243 41.701 42.059 -0.191 0.000 0.927 190 L HN 0.121 nan 8.230 nan 0.000 0.446 191 R N -1.051 119.465 120.500 0.027 0.000 2.066 191 R HA -0.157 4.183 4.340 0.000 0.000 0.232 191 R C 2.406 178.739 176.300 0.055 0.000 1.131 191 R CA 1.121 57.238 56.100 0.029 0.000 0.955 191 R CB -0.532 29.800 30.300 0.053 0.000 0.851 191 R HN 0.357 nan 8.270 nan 0.000 0.432 192 H N 1.135 120.240 119.070 0.059 0.000 2.352 192 H HA -0.137 4.420 4.556 0.000 0.000 0.299 192 H C 1.972 177.377 175.328 0.129 0.000 1.097 192 H CA 1.987 58.121 56.048 0.144 0.000 1.311 192 H CB -0.039 29.830 29.762 0.178 0.000 1.377 192 H HN 0.161 nan 8.280 nan 0.000 0.504 193 M N -0.342 119.404 119.600 0.243 0.000 2.159 193 M HA -0.156 4.324 4.480 0.000 0.000 0.263 193 M C 2.151 178.477 176.300 0.043 0.000 1.063 193 M CA 1.544 56.940 55.300 0.160 0.000 1.110 193 M CB -0.025 32.632 32.600 0.095 0.000 1.374 193 M HN 0.226 nan 8.290 nan 0.000 0.411 194 M N -0.459 119.132 119.600 -0.017 0.000 2.319 194 M HA -0.155 4.326 4.480 0.000 0.000 0.265 194 M C 1.877 178.097 176.300 -0.134 0.000 1.068 194 M CA 1.356 56.618 55.300 -0.064 0.000 1.118 194 M CB -0.296 32.262 32.600 -0.070 0.000 1.395 194 M HN 0.284 nan 8.290 nan 0.000 0.435 195 E N 0.293 120.350 120.200 -0.239 0.000 2.046 195 E HA -0.116 4.234 4.350 0.000 0.000 0.190 195 E C 1.673 178.024 176.600 -0.415 0.000 0.982 195 E CA 1.924 58.035 56.400 -0.482 0.000 0.800 195 E CB -0.185 28.967 29.700 -0.912 0.000 0.756 195 E HN 0.282 nan 8.360 nan 0.000 0.449 196 T N 1.265 115.705 114.554 -0.191 0.000 2.684 196 T HA -0.143 4.207 4.350 0.000 0.000 0.267 196 T C 1.503 176.231 174.700 0.047 0.000 1.036 196 T CA 1.538 63.701 62.100 0.105 0.000 1.148 196 T CB -0.266 68.758 68.868 0.261 0.000 0.863 196 T HN 0.179 nan 8.240 nan 0.000 0.436 197 E N 0.968 121.174 120.200 0.011 0.000 2.106 197 E HA 0.015 4.366 4.350 0.000 0.000 0.192 197 E C 2.561 179.153 176.600 -0.013 0.000 0.984 197 E CA 1.018 57.423 56.400 0.009 0.000 0.806 197 E CB -0.480 29.221 29.700 0.003 0.000 0.750 197 E HN 0.504 nan 8.360 nan 0.000 0.458 198 A N 1.072 123.861 122.820 -0.052 0.000 1.858 198 A HA -0.143 4.178 4.320 0.000 0.000 0.216 198 A C 2.627 180.187 177.584 -0.041 0.000 1.190 198 A CA 1.540 53.542 52.037 -0.058 0.000 0.617 198 A CB -0.793 18.148 19.000 -0.098 0.000 0.827 198 A HN 0.130 nan 8.150 nan 0.000 0.443 199 V N 0.952 120.836 119.914 -0.050 0.000 2.332 199 V HA -0.338 3.782 4.120 0.000 0.000 0.248 199 V C 2.170 178.286 176.094 0.037 0.000 1.055 199 V CA 2.386 64.686 62.300 -0.000 0.000 1.038 199 V CB -1.234 30.609 31.823 0.035 0.000 0.651 199 V HN 0.660 nan 8.190 nan 0.000 0.450 200 N N 0.178 118.906 118.700 0.047 0.000 2.166 200 N HA -0.132 4.608 4.740 0.000 0.000 0.186 200 N C 1.847 177.377 175.510 0.033 0.000 1.019 200 N CA 1.150 54.230 53.050 0.051 0.000 0.856 200 N CB -0.262 38.259 38.487 0.057 0.000 0.993 200 N HN 0.510 nan 8.380 nan 0.000 0.426 201 A N 0.751 123.582 122.820 0.018 0.000 1.970 201 A HA 0.082 4.403 4.320 0.000 0.000 0.216 201 A C 2.332 179.922 177.584 0.010 0.000 1.170 201 A CA 1.377 53.421 52.037 0.012 0.000 0.645 201 A CB -0.889 18.113 19.000 0.002 0.000 0.816 201 A HN 0.365 nan 8.150 nan 0.000 0.447 202 G N -0.212 108.593 108.800 0.008 0.000 2.418 202 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 202 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 202 G C 1.406 176.319 174.900 0.020 0.000 1.158 202 G CA 0.985 46.091 45.100 0.010 0.000 0.771 202 G HN 0.641 nan 8.290 nan 0.000 0.545 203 E N -0.002 120.216 120.200 0.030 0.000 2.106 203 E HA -0.036 4.314 4.350 0.000 0.000 0.192 203 E C 2.761 179.380 176.600 0.031 0.000 0.984 203 E CA 0.290 56.712 56.400 0.037 0.000 0.806 203 E CB -0.049 29.681 29.700 0.051 0.000 0.750 203 E HN 0.329 nan 8.360 nan 0.000 0.458 204 R N 0.442 120.958 120.500 0.027 0.000 2.066 204 R HA -0.071 4.270 4.340 0.000 0.000 0.232 204 R C 2.401 178.712 176.300 0.018 0.000 1.131 204 R CA 1.120 57.233 56.100 0.022 0.000 0.955 204 R CB -0.292 30.020 30.300 0.020 0.000 0.851 204 R HN 0.091 nan 8.270 nan 0.000 0.432 205 A N 1.234 124.063 122.820 0.015 0.000 1.877 205 A HA -0.104 4.217 4.320 0.000 0.000 0.216 205 A C 2.336 179.928 177.584 0.013 0.000 1.186 205 A CA 1.758 53.802 52.037 0.012 0.000 0.620 205 A CB -0.574 18.430 19.000 0.008 0.000 0.822 205 A HN 0.402 nan 8.150 nan 0.000 0.443 206 A N -1.855 120.975 122.820 0.016 0.000 2.014 206 A HA 0.339 4.660 4.320 0.000 0.000 0.218 206 A C 2.109 179.704 177.584 0.018 0.000 1.163 206 A CA 1.554 53.601 52.037 0.017 0.000 0.652 206 A CB -1.085 17.926 19.000 0.020 0.000 0.808 206 A HN 1.972 nan 8.150 nan 0.000 0.449 207 G N -0.689 108.123 108.800 0.020 0.000 2.168 207 G HA2 -0.302 3.659 3.960 0.000 0.000 0.257 207 G HA3 -0.302 3.659 3.960 0.000 0.000 0.257 207 G C 0.072 174.987 174.900 0.024 0.000 0.997 207 G CA 1.138 46.251 45.100 0.021 0.000 0.708 207 G HN 1.254 nan 8.290 nan 0.000 0.520 208 K N -2.105 118.312 120.400 0.028 0.000 2.607 208 K HA 0.645 4.965 4.320 0.000 0.000 0.287 208 K C -3.380 173.243 176.600 0.038 0.000 0.996 208 K CA -2.153 54.153 56.287 0.031 0.000 0.876 208 K CB 0.829 33.345 32.500 0.027 0.000 1.496 208 K HN -0.081 nan 8.250 nan 0.000 0.415 209 P HA -0.002 nan 4.420 nan 0.000 0.265 209 P C -0.553 176.778 177.300 0.051 0.000 1.187 209 P CA -0.033 63.101 63.100 0.056 0.000 0.766 209 P CB 0.334 32.070 31.700 0.061 0.000 0.820 210 L N 5.151 126.408 121.223 0.057 0.000 2.467 210 L HA 0.179 4.519 4.340 0.000 0.000 0.270 210 L C -1.544 175.353 176.870 0.046 0.000 1.205 210 L CA -1.683 53.184 54.840 0.045 0.000 0.828 210 L CB -0.330 41.755 42.059 0.043 0.000 1.101 210 L HN 0.304 nan 8.230 nan 0.000 0.479 211 P HA 0.054 nan 4.420 nan 0.000 0.267 211 P C 0.627 177.948 177.300 0.035 0.000 1.205 211 P CA 0.547 63.666 63.100 0.032 0.000 0.765 211 P CB 1.035 32.748 31.700 0.021 0.000 0.828 212 G N 1.713 110.540 108.800 0.045 0.000 2.213 212 G HA2 -0.162 3.798 3.960 0.000 0.000 0.236 212 G HA3 -0.162 3.798 3.960 0.000 0.000 0.236 212 G C 0.417 175.366 174.900 0.082 0.000 0.991 212 G CA 0.064 45.194 45.100 0.050 0.000 0.629 212 G HN 0.875 nan 8.290 nan 0.000 0.517 213 A N 0.312 123.190 122.820 0.098 0.000 2.466 213 A HA 0.716 5.036 4.320 0.000 0.000 0.238 213 A C 0.725 178.408 177.584 0.165 0.000 1.074 213 A CA 0.697 52.823 52.037 0.149 0.000 0.774 213 A CB 0.280 19.361 19.000 0.136 0.000 1.015 213 A HN 0.604 nan 8.150 nan 0.000 0.498 214 R N -0.070 120.574 120.500 0.240 0.000 2.854 214 R HA 0.411 4.751 4.340 0.000 0.000 0.271 214 R C -0.915 175.470 176.300 0.143 0.000 0.994 214 R CA -0.968 55.260 56.100 0.213 0.000 0.945 214 R CB 1.371 31.866 30.300 0.325 0.000 1.194 214 R HN 0.769 nan 8.270 nan 0.000 0.476 215 Q N 1.971 121.817 119.800 0.076 0.000 2.293 215 Q HA 0.338 4.679 4.340 0.000 0.000 0.263 215 Q C -1.031 174.929 176.000 -0.067 0.000 1.002 215 Q CA -0.199 55.611 55.803 0.011 0.000 0.910 215 Q CB 0.961 29.704 28.738 0.008 0.000 1.185 215 Q HN 0.479 nan 8.270 nan 0.000 0.401 216 V N 0.577 120.415 119.914 -0.127 0.000 3.114 216 V HA 0.749 4.869 4.120 0.000 0.000 0.308 216 V C -0.510 175.464 176.094 -0.200 0.000 1.168 216 V CA -0.919 61.230 62.300 -0.251 0.000 1.015 216 V CB 2.177 33.692 31.823 -0.513 0.000 1.050 216 V HN 0.649 nan 8.190 nan 0.000 0.433 217 T N 1.960 116.374 114.554 -0.233 0.000 2.794 217 T HA 0.726 5.076 4.350 0.000 0.000 0.280 217 T C -0.472 174.096 174.700 -0.220 0.000 0.987 217 T CA -0.365 61.626 62.100 -0.181 0.000 0.993 217 T CB 1.450 70.228 68.868 -0.151 0.000 0.939 217 T HN 0.759 nan 8.240 nan 0.000 0.449 218 V N 2.269 122.083 119.914 -0.167 0.000 2.604 218 V HA 0.875 4.995 4.120 0.000 0.000 0.305 218 V C -0.164 175.826 176.094 -0.173 0.000 1.043 218 V CA -0.876 61.303 62.300 -0.202 0.000 0.888 218 V CB 1.583 33.313 31.823 -0.156 0.000 0.995 218 V HN 1.086 nan 8.190 nan 0.000 0.429 219 A N 4.073 126.735 122.820 -0.264 0.000 2.414 219 A HA 0.936 5.257 4.320 0.000 0.000 0.306 219 A C -1.441 175.921 177.584 -0.369 0.000 1.054 219 A CA -0.397 51.526 52.037 -0.190 0.000 0.724 219 A CB 1.275 20.199 19.000 -0.127 0.000 1.267 219 A HN 0.594 nan 8.150 nan 0.000 0.418 220 F N 0.898 120.851 119.950 0.005 0.000 2.495 220 F HA 0.679 5.206 4.527 0.000 0.000 0.327 220 F C 0.623 176.420 175.800 -0.004 0.000 1.103 220 F CA -0.255 57.753 58.000 0.014 0.000 0.949 220 F CB 2.450 41.462 39.000 0.021 0.000 1.142 220 F HN 0.719 nan 8.300 nan 0.000 0.457 221 A N 2.491 125.409 122.820 0.163 0.000 2.318 221 A HA 0.636 4.956 4.320 0.000 0.000 0.317 221 A C -1.566 176.071 177.584 0.088 0.000 1.159 221 A CA -0.489 51.593 52.037 0.075 0.000 0.799 221 A CB 1.125 20.121 19.000 -0.006 0.000 1.194 221 A HN 0.743 nan 8.150 nan 0.000 0.479 222 D N 1.595 122.033 120.400 0.063 0.000 2.738 222 D HA 0.624 5.264 4.640 0.000 0.000 0.237 222 D C -0.795 175.525 176.300 0.033 0.000 1.123 222 D CA -0.292 53.740 54.000 0.054 0.000 0.856 222 D CB 1.271 42.099 40.800 0.046 0.000 1.552 222 D HN 0.425 nan 8.370 nan 0.000 0.480 223 L N 2.330 123.572 121.223 0.032 0.000 2.375 223 L HA 0.445 4.785 4.340 0.000 0.000 0.268 223 L C 1.259 178.127 176.870 -0.005 0.000 1.058 223 L CA -0.781 54.068 54.840 0.015 0.000 0.803 223 L CB 1.659 43.737 42.059 0.031 0.000 1.212 223 L HN 0.480 nan 8.230 nan 0.000 0.451 224 V N -2.450 117.439 119.914 -0.041 0.000 3.661 224 V HA 0.585 4.705 4.120 0.000 0.000 0.271 224 V C 0.974 177.093 176.094 0.041 0.000 1.315 224 V CA 0.624 62.924 62.300 0.001 0.000 1.072 224 V CB -0.168 31.665 31.823 0.017 0.000 0.830 224 V HN 1.120 nan 8.190 nan 0.000 0.443 225 G N 1.824 110.614 108.800 -0.017 0.000 4.244 225 G HA2 -0.264 3.696 3.960 0.000 0.000 0.222 225 G HA3 -0.264 3.696 3.960 0.000 0.000 0.222 225 G C 0.046 174.964 174.900 0.030 0.000 1.665 225 G CA 0.022 45.138 45.100 0.026 0.000 1.315 225 G HN 1.275 nan 8.290 nan 0.000 0.637 226 F N 3.784 123.729 119.950 -0.008 0.000 2.563 226 F HA 0.664 5.192 4.527 0.000 0.000 0.363 226 F C 0.580 176.378 175.800 -0.003 0.000 1.123 226 F CA 0.525 58.521 58.000 -0.007 0.000 1.307 226 F CB 0.483 39.482 39.000 -0.003 0.000 1.115 226 F HN 0.394 nan 8.300 nan 0.000 0.592 227 T N 2.137 116.589 114.554 -0.169 0.000 2.898 227 T HA 0.419 4.769 4.350 0.000 0.000 0.283 227 T C 1.090 175.685 174.700 -0.175 0.000 1.059 227 T CA 0.151 62.105 62.100 -0.243 0.000 0.958 227 T CB 0.770 69.569 68.868 -0.115 0.000 1.594 227 T HN 0.737 nan 8.240 nan 0.000 0.598 228 Q N -0.242 119.510 119.800 -0.080 0.000 2.373 228 Q HA 0.375 4.716 4.340 0.000 0.000 0.206 228 Q C 1.392 177.424 176.000 0.053 0.000 0.942 228 Q CA 0.746 56.550 55.803 0.001 0.000 0.953 228 Q CB -1.136 27.608 28.738 0.010 0.000 1.022 228 Q HN 0.690 nan 8.270 nan 0.000 0.502 229 L N -6.887 114.376 121.223 0.066 0.000 2.885 229 L HA 0.683 5.023 4.340 0.000 0.000 0.263 229 L C 1.309 178.247 176.870 0.113 0.000 1.033 229 L CA 0.123 55.011 54.840 0.080 0.000 1.051 229 L CB 0.684 42.769 42.059 0.044 0.000 1.860 229 L HN 0.201 nan 8.230 nan 0.000 0.544 230 G N 0.706 109.580 108.800 0.123 0.000 2.828 230 G HA2 -0.078 3.882 3.960 0.000 0.000 0.226 230 G HA3 -0.078 3.882 3.960 0.000 0.000 0.226 230 G C 0.203 175.160 174.900 0.095 0.000 1.090 230 G CA 0.069 45.260 45.100 0.152 0.000 1.035 230 G HN 0.133 nan 8.290 nan 0.000 0.578 231 E N -0.038 120.198 120.200 0.060 0.000 2.152 231 E HA 0.298 4.648 4.350 0.000 0.000 0.192 231 E C 1.444 178.055 176.600 0.017 0.000 0.983 231 E CA 1.081 57.491 56.400 0.017 0.000 0.818 231 E CB 0.247 29.933 29.700 -0.023 0.000 0.758 231 E HN 0.683 nan 8.360 nan 0.000 0.467 232 V N -0.859 119.079 119.914 0.039 0.000 3.859 232 V HA -0.294 3.827 4.120 0.000 0.000 0.548 232 V C -0.353 175.736 176.094 -0.007 0.000 0.687 232 V CA 0.826 63.145 62.300 0.033 0.000 2.116 232 V CB -0.712 31.134 31.823 0.038 0.000 2.502 232 V HN 0.002 nan 8.190 nan 0.000 0.523 233 V N 0.975 120.882 119.914 -0.012 0.000 2.445 233 V HA 0.527 4.647 4.120 0.000 0.000 0.283 233 V C 0.296 176.368 176.094 -0.038 0.000 1.014 233 V CA 0.288 62.566 62.300 -0.036 0.000 0.852 233 V CB 1.493 33.287 31.823 -0.048 0.000 1.021 233 V HN 1.408 nan 8.190 nan 0.000 0.435 234 S N 4.094 119.773 115.700 -0.035 0.000 2.587 234 S HA 0.437 4.908 4.470 0.000 0.000 0.260 234 S C 1.376 175.944 174.600 -0.052 0.000 1.353 234 S CA 0.334 58.517 58.200 -0.028 0.000 0.995 234 S CB 1.490 64.672 63.200 -0.030 0.000 0.912 234 S HN 1.182 nan 8.310 nan 0.000 0.568 235 A N 0.360 123.159 122.820 -0.035 0.000 2.208 235 A HA 0.134 4.454 4.320 0.000 0.000 0.209 235 A C 1.898 179.515 177.584 0.055 0.000 1.161 235 A CA 0.713 52.720 52.037 -0.050 0.000 0.782 235 A CB -0.762 18.209 19.000 -0.050 0.000 0.816 235 A HN 0.934 nan 8.150 nan 0.000 0.477 236 E N -0.152 120.057 120.200 0.015 0.000 2.106 236 E HA -0.149 4.201 4.350 0.000 0.000 0.192 236 E C 1.865 178.470 176.600 0.009 0.000 0.984 236 E CA 1.178 57.557 56.400 -0.035 0.000 0.806 236 E CB -0.035 29.482 29.700 -0.304 0.000 0.750 236 E HN 0.661 nan 8.360 nan 0.000 0.458 237 E N 0.344 120.534 120.200 -0.017 0.000 2.051 237 E HA -0.128 4.222 4.350 0.000 0.000 0.189 237 E C 2.159 178.773 176.600 0.024 0.000 0.979 237 E CA 0.425 56.830 56.400 0.008 0.000 0.803 237 E CB 0.027 29.705 29.700 -0.036 0.000 0.761 237 E HN 0.122 nan 8.360 nan 0.000 0.451 238 L N 0.431 121.645 121.223 -0.014 0.000 2.056 238 L HA -0.072 4.268 4.340 0.000 0.000 0.207 238 L C 2.282 179.156 176.870 0.006 0.000 1.078 238 L CA 1.917 56.742 54.840 -0.025 0.000 0.749 238 L CB -0.589 41.437 42.059 -0.055 0.000 0.901 238 L HN 0.125 nan 8.230 nan 0.000 0.433 239 G N -1.895 106.928 108.800 0.038 0.000 2.440 239 G HA2 -0.398 3.562 3.960 0.000 0.000 0.218 239 G HA3 -0.398 3.562 3.960 0.000 0.000 0.218 239 G C 1.481 176.433 174.900 0.086 0.000 1.154 239 G CA 1.176 46.316 45.100 0.067 0.000 0.767 239 G HN 0.611 nan 8.290 nan 0.000 0.552 240 H N -0.063 119.016 119.070 0.015 0.000 2.363 240 H HA 0.142 4.699 4.556 0.000 0.000 0.301 240 H C 2.298 177.625 175.328 -0.002 0.000 1.074 240 H CA 1.096 57.149 56.048 0.009 0.000 1.354 240 H CB -0.214 29.540 29.762 -0.013 0.000 1.397 240 H HN 0.231 nan 8.280 nan 0.000 0.516 241 L N 0.053 121.158 121.223 -0.196 0.000 2.240 241 L HA 0.114 4.455 4.340 0.000 0.000 0.211 241 L C 2.592 179.399 176.870 -0.105 0.000 1.106 241 L CA 1.168 55.858 54.840 -0.250 0.000 0.793 241 L CB -0.603 41.341 42.059 -0.192 0.000 0.927 241 L HN 0.483 nan 8.230 nan 0.000 0.446 242 A N -0.603 122.188 122.820 -0.047 0.000 1.930 242 A HA -0.050 4.270 4.320 0.000 0.000 0.217 242 A C 2.366 179.965 177.584 0.025 0.000 1.175 242 A CA 1.406 53.450 52.037 0.012 0.000 0.627 242 A CB -1.198 17.817 19.000 0.026 0.000 0.815 242 A HN 0.407 nan 8.150 nan 0.000 0.443 243 G N -0.903 107.892 108.800 -0.009 0.000 2.443 243 G HA2 -0.165 3.795 3.960 0.000 0.000 0.219 243 G HA3 -0.165 3.795 3.960 0.000 0.000 0.219 243 G C 1.681 176.581 174.900 0.000 0.000 1.131 243 G CA 0.553 45.658 45.100 0.009 0.000 0.775 243 G HN 0.350 nan 8.290 nan 0.000 0.547 244 R N -0.403 120.067 120.500 -0.051 0.000 2.075 244 R HA 0.113 4.453 4.340 0.000 0.000 0.226 244 R C 2.432 178.777 176.300 0.076 0.000 1.114 244 R CA 0.531 56.639 56.100 0.014 0.000 0.972 244 R CB -1.103 29.217 30.300 0.033 0.000 0.869 244 R HN 0.442 nan 8.270 nan 0.000 0.437 245 L N 0.949 122.227 121.223 0.093 0.000 2.017 245 L HA -0.034 4.307 4.340 0.000 0.000 0.208 245 L C 2.198 179.055 176.870 -0.022 0.000 1.073 245 L CA 2.097 56.967 54.840 0.049 0.000 0.745 245 L CB -0.830 41.276 42.059 0.078 0.000 0.894 245 L HN 0.141 nan 8.230 nan 0.000 0.432 246 A N -0.366 122.491 122.820 0.061 0.000 1.908 246 A HA -0.128 4.192 4.320 0.000 0.000 0.218 246 A C 2.346 179.991 177.584 0.101 0.000 1.181 246 A CA 1.741 53.877 52.037 0.165 0.000 0.627 246 A CB -1.704 17.469 19.000 0.287 0.000 0.818 246 A HN 0.565 nan 8.150 nan 0.000 0.445 247 G N -0.076 108.762 108.800 0.064 0.000 2.459 247 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 247 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 247 G C 1.561 176.449 174.900 -0.021 0.000 1.183 247 G CA 1.186 46.310 45.100 0.041 0.000 0.776 247 G HN 0.452 nan 8.290 nan 0.000 0.552 248 L N 0.751 121.929 121.223 -0.075 0.000 2.056 248 L HA -0.010 4.330 4.340 0.000 0.000 0.207 248 L C 3.432 180.188 176.870 -0.191 0.000 1.078 248 L CA 0.957 55.719 54.840 -0.130 0.000 0.749 248 L CB -0.455 41.495 42.059 -0.181 0.000 0.901 248 L HN 0.301 nan 8.230 nan 0.000 0.433 249 A N 0.338 122.971 122.820 -0.312 0.000 1.908 249 A HA -0.284 4.037 4.320 0.000 0.000 0.218 249 A C 2.360 179.680 177.584 -0.441 0.000 1.181 249 A CA 2.096 53.792 52.037 -0.567 0.000 0.627 249 A CB -0.527 17.777 19.000 -1.160 0.000 0.818 249 A HN 0.316 nan 8.150 nan 0.000 0.445 250 R N 0.564 120.945 120.500 -0.199 0.000 2.081 250 R HA -0.131 4.209 4.340 0.000 0.000 0.235 250 R C 1.372 177.694 176.300 0.037 0.000 1.131 250 R CA 2.174 58.342 56.100 0.114 0.000 0.960 250 R CB -0.810 29.631 30.300 0.236 0.000 0.856 250 R HN 0.517 nan 8.270 nan 0.000 0.436 251 D N 0.024 120.415 120.400 -0.015 0.000 2.117 251 D HA -0.140 4.500 4.640 0.000 0.000 0.197 251 D C 1.783 178.064 176.300 -0.031 0.000 0.987 251 D CA 1.504 55.494 54.000 -0.018 0.000 0.829 251 D CB -0.052 40.726 40.800 -0.036 0.000 0.961 251 D HN 0.314 nan 8.370 nan 0.000 0.460 252 L N -0.053 121.130 121.223 -0.067 0.000 2.416 252 L HA 0.077 4.417 4.340 0.000 0.000 0.216 252 L C 0.490 177.326 176.870 -0.056 0.000 1.098 252 L CA 0.437 55.235 54.840 -0.071 0.000 0.840 252 L CB 0.127 42.123 42.059 -0.105 0.000 0.981 252 L HN -0.187 nan 8.230 nan 0.000 0.462 253 T N 1.788 116.315 114.554 -0.045 0.000 2.747 253 T HA 0.573 4.923 4.350 0.000 0.000 0.301 253 T C 0.067 174.793 174.700 0.043 0.000 0.952 253 T CA -0.225 61.871 62.100 -0.007 0.000 0.983 253 T CB 1.194 70.074 68.868 0.020 0.000 0.930 253 T HN 0.211 nan 8.240 nan 0.000 0.494 254 A N 5.431 128.263 122.820 0.021 0.000 2.356 254 A HA 0.853 5.173 4.320 0.000 0.000 0.323 254 A C -2.689 174.909 177.584 0.023 0.000 1.119 254 A CA -2.362 49.696 52.037 0.035 0.000 0.790 254 A CB 0.673 19.682 19.000 0.015 0.000 1.273 254 A HN 0.443 nan 8.150 nan 0.000 0.452 255 P HA 0.060 nan 4.420 nan 0.000 0.264 255 P C -1.711 175.572 177.300 -0.029 0.000 1.179 255 P CA -0.345 62.775 63.100 0.033 0.000 0.763 255 P CB 0.181 31.931 31.700 0.084 0.000 0.806 256 P HA 0.007 nan 4.420 nan 0.000 0.245 256 P C -0.261 176.749 177.300 -0.483 0.000 1.212 256 P CA 0.481 63.458 63.100 -0.206 0.000 0.774 256 P CB 0.341 31.917 31.700 -0.206 0.000 0.999 257 V N 1.490 121.217 119.914 -0.312 0.000 2.583 257 V HA 0.107 4.227 4.120 0.000 0.000 0.287 257 V C 0.177 176.182 176.094 -0.148 0.000 1.051 257 V CA -0.384 61.716 62.300 -0.334 0.000 1.010 257 V CB 0.397 32.123 31.823 -0.162 0.000 0.988 257 V HN 0.088 nan 8.190 nan 0.000 0.478 258 W N 4.139 125.455 121.300 0.026 0.000 2.429 258 W HA 0.396 5.056 4.660 0.000 0.000 0.314 258 W C -0.334 176.269 176.519 0.139 0.000 1.062 258 W CA -1.752 55.640 57.345 0.079 0.000 1.211 258 W CB 1.098 30.609 29.460 0.085 0.000 1.305 258 W HN 0.499 nan 8.180 nan 0.000 0.476 259 F N 5.658 125.728 119.950 0.200 0.000 2.405 259 F HA 0.207 4.734 4.527 0.000 0.000 0.358 259 F C 0.799 176.671 175.800 0.120 0.000 1.151 259 F CA -1.052 57.012 58.000 0.107 0.000 1.161 259 F CB 0.226 39.267 39.000 0.068 0.000 1.245 259 F HN 0.182 nan 8.300 nan 0.000 0.545 260 I N 4.349 125.055 120.570 0.228 0.000 2.193 260 I HA -0.104 4.066 4.170 0.000 0.000 0.240 260 I C 0.835 176.856 176.117 -0.159 0.000 1.084 260 I CA 1.301 62.638 61.300 0.061 0.000 1.365 260 I CB -1.003 37.099 38.000 0.169 0.000 1.064 260 I HN 0.568 nan 8.210 nan 0.000 0.410 261 K N -0.114 120.215 120.400 -0.118 0.000 2.711 261 K HA 0.290 4.610 4.320 0.000 0.000 0.294 261 K C -0.767 175.916 176.600 0.139 0.000 1.037 261 K CA -0.747 55.465 56.287 -0.124 0.000 0.858 261 K CB 1.561 34.055 32.500 -0.010 0.000 1.521 261 K HN -0.034 nan 8.250 nan 0.000 0.386 262 T N -0.214 114.412 114.554 0.120 0.000 2.786 262 T HA 0.597 4.947 4.350 0.000 0.000 0.283 262 T C -0.254 174.518 174.700 0.120 0.000 0.992 262 T CA -0.812 61.410 62.100 0.203 0.000 0.954 262 T CB 0.035 69.040 68.868 0.228 0.000 0.934 262 T HN 0.513 nan 8.240 nan 0.000 0.440 263 I N 3.866 124.515 120.570 0.131 0.000 2.328 263 I HA 0.615 4.785 4.170 0.000 0.000 0.287 263 I C 1.390 177.539 176.117 0.053 0.000 1.012 263 I CA -0.635 60.705 61.300 0.066 0.000 1.195 263 I CB 0.602 38.629 38.000 0.046 0.000 1.350 263 I HN 1.058 nan 8.210 nan 0.000 0.464 264 G N 6.056 114.877 108.800 0.034 0.000 2.602 264 G HA2 -0.379 3.581 3.960 0.000 0.000 0.310 264 G HA3 -0.379 3.581 3.960 0.000 0.000 0.310 264 G C 0.559 175.480 174.900 0.034 0.000 1.183 264 G CA 0.750 45.864 45.100 0.022 0.000 0.979 264 G HN 0.876 nan 8.290 nan 0.000 0.545 265 D N 1.765 122.182 120.400 0.027 0.000 2.340 265 D HA 0.590 5.230 4.640 0.000 0.000 0.217 265 D C 0.819 177.154 176.300 0.058 0.000 1.081 265 D CA 1.270 55.289 54.000 0.032 0.000 0.842 265 D CB -0.062 40.745 40.800 0.011 0.000 0.934 265 D HN 1.211 nan 8.370 nan 0.000 0.511 266 A N 0.165 123.036 122.820 0.085 0.000 2.384 266 A HA 0.706 5.026 4.320 0.000 0.000 0.312 266 A C -0.415 177.285 177.584 0.193 0.000 1.113 266 A CA -0.625 51.491 52.037 0.132 0.000 0.779 266 A CB 2.013 21.100 19.000 0.145 0.000 1.307 266 A HN 0.295 nan 8.150 nan 0.000 0.436 267 V N -0.906 119.130 119.914 0.203 0.000 2.715 267 V HA 0.818 4.938 4.120 0.000 0.000 0.310 267 V C -0.233 175.988 176.094 0.213 0.000 1.054 267 V CA -0.800 61.645 62.300 0.242 0.000 0.928 267 V CB 1.628 33.499 31.823 0.079 0.000 1.007 267 V HN 1.013 nan 8.190 nan 0.000 0.437 268 M N 4.090 123.811 119.600 0.202 0.000 2.243 268 M HA 0.661 5.141 4.480 0.000 0.000 0.324 268 M C -2.195 174.110 176.300 0.009 0.000 1.031 268 M CA -0.691 54.530 55.300 -0.132 0.000 0.949 268 M CB 1.543 34.033 32.600 -0.183 0.000 1.615 268 M HN 0.696 nan 8.290 nan 0.000 0.430 269 L N 5.468 126.605 121.223 -0.143 0.000 2.346 269 L HA 0.747 5.087 4.340 0.000 0.000 0.276 269 L C -0.893 175.894 176.870 -0.137 0.000 1.006 269 L CA -0.556 54.253 54.840 -0.052 0.000 0.817 269 L CB 2.170 44.178 42.059 -0.085 0.000 1.272 269 L HN 0.485 nan 8.230 nan 0.000 0.421 270 V N 1.436 121.312 119.914 -0.063 0.000 2.789 270 V HA 0.688 4.808 4.120 0.000 0.000 0.311 270 V C -0.949 174.936 176.094 -0.349 0.000 1.073 270 V CA -0.656 61.529 62.300 -0.192 0.000 0.921 270 V CB 2.200 33.879 31.823 -0.240 0.000 1.009 270 V HN 0.871 nan 8.190 nan 0.000 0.426 271 C N 5.358 124.352 119.300 -0.509 0.000 2.985 271 C HA 0.542 5.002 4.460 0.000 0.000 0.332 271 C C -1.807 172.849 174.990 -0.556 0.000 1.164 271 C CA -1.126 57.462 59.018 -0.717 0.000 1.347 271 C CB 2.389 29.843 27.740 -0.476 0.000 1.764 271 C HN 0.764 nan 8.230 nan 0.000 0.489 272 P HA -0.016 nan 4.420 nan 0.000 0.216 272 P C -0.346 176.832 177.300 -0.205 0.000 1.150 272 P CA 1.596 64.523 63.100 -0.289 0.000 0.837 272 P CB 0.148 31.731 31.700 -0.196 0.000 0.786 273 D N -1.783 118.490 120.400 -0.212 0.000 2.192 273 D HA 0.140 4.780 4.640 0.000 0.000 0.246 273 D C -1.554 174.670 176.300 -0.128 0.000 1.042 273 D CA -1.852 52.068 54.000 -0.134 0.000 0.847 273 D CB 1.545 42.285 40.800 -0.100 0.000 1.186 273 D HN 0.012 nan 8.370 nan 0.000 0.461 274 P HA -0.095 nan 4.420 nan 0.000 0.219 274 P C 1.008 178.283 177.300 -0.041 0.000 1.150 274 P CA 0.782 63.840 63.100 -0.071 0.000 0.814 274 P CB 0.426 32.103 31.700 -0.039 0.000 0.787 275 A N 0.999 123.836 122.820 0.028 0.000 1.873 275 A HA -0.058 4.262 4.320 0.000 0.000 0.215 275 A C -0.024 177.635 177.584 0.124 0.000 1.186 275 A CA 1.792 53.924 52.037 0.157 0.000 0.616 275 A CB -2.154 16.959 19.000 0.189 0.000 0.823 275 A HN 0.203 nan 8.150 nan 0.000 0.442 276 P HA -0.088 nan 4.420 nan 0.000 0.220 276 P C 1.586 178.860 177.300 -0.044 0.000 1.148 276 P CA 0.655 63.745 63.100 -0.018 0.000 0.803 276 P CB -0.034 31.622 31.700 -0.073 0.000 0.782 277 L N -1.377 119.798 121.223 -0.081 0.000 2.095 277 L HA -0.045 4.295 4.340 0.000 0.000 0.204 277 L C 2.166 178.982 176.870 -0.090 0.000 1.080 277 L CA 1.266 56.040 54.840 -0.110 0.000 0.759 277 L CB -0.663 41.304 42.059 -0.154 0.000 0.914 277 L HN -0.158 nan 8.230 nan 0.000 0.439 278 L N -0.256 120.910 121.223 -0.096 0.000 2.046 278 L HA -0.220 4.120 4.340 0.000 0.000 0.208 278 L C 2.224 179.093 176.870 -0.002 0.000 1.077 278 L CA 1.164 55.909 54.840 -0.159 0.000 0.747 278 L CB -0.803 40.955 42.059 -0.502 0.000 0.896 278 L HN 0.314 nan 8.230 nan 0.000 0.432 279 D N -0.488 119.993 120.400 0.135 0.000 2.104 279 D HA -0.158 4.482 4.640 0.000 0.000 0.194 279 D C 2.169 178.477 176.300 0.013 0.000 0.994 279 D CA 1.829 55.901 54.000 0.121 0.000 0.830 279 D CB -0.239 40.609 40.800 0.081 0.000 0.959 279 D HN 0.275 nan 8.370 nan 0.000 0.452 280 T N 0.500 115.038 114.554 -0.025 0.000 2.737 280 T HA -0.077 4.273 4.350 0.000 0.000 0.265 280 T C 2.295 176.950 174.700 -0.076 0.000 1.038 280 T CA 0.711 62.776 62.100 -0.059 0.000 1.144 280 T CB -0.406 68.417 68.868 -0.075 0.000 0.866 280 T HN -0.039 nan 8.240 nan 0.000 0.434 281 V N 1.567 121.433 119.914 -0.080 0.000 2.295 281 V HA -0.125 3.995 4.120 0.000 0.000 0.246 281 V C 2.509 178.557 176.094 -0.076 0.000 1.049 281 V CA 1.497 63.745 62.300 -0.087 0.000 1.024 281 V CB -0.682 31.086 31.823 -0.091 0.000 0.648 281 V HN 0.420 nan 8.190 nan 0.000 0.447 282 L N -0.493 120.695 121.223 -0.058 0.000 2.083 282 L HA -0.203 4.137 4.340 0.000 0.000 0.209 282 L C 2.561 179.400 176.870 -0.053 0.000 1.083 282 L CA 1.586 56.399 54.840 -0.045 0.000 0.752 282 L CB -0.481 41.575 42.059 -0.004 0.000 0.899 282 L HN 0.266 nan 8.230 nan 0.000 0.433 283 K N 0.295 120.662 120.400 -0.055 0.000 2.057 283 K HA -0.190 4.131 4.320 0.000 0.000 0.206 283 K C 1.933 178.476 176.600 -0.095 0.000 1.050 283 K CA 1.215 57.461 56.287 -0.069 0.000 0.935 283 K CB -0.316 32.145 32.500 -0.064 0.000 0.715 283 K HN 0.018 nan 8.250 nan 0.000 0.439 284 L N -0.009 121.149 121.223 -0.108 0.000 2.083 284 L HA -0.106 4.234 4.340 0.000 0.000 0.209 284 L C 1.842 178.628 176.870 -0.140 0.000 1.083 284 L CA 1.346 56.103 54.840 -0.139 0.000 0.752 284 L CB -0.276 41.695 42.059 -0.147 0.000 0.899 284 L HN 0.013 nan 8.230 nan 0.000 0.433 285 V N -0.630 119.220 119.914 -0.107 0.000 2.358 285 V HA -0.263 3.857 4.120 0.000 0.000 0.246 285 V C 2.377 178.414 176.094 -0.095 0.000 1.047 285 V CA 1.886 64.130 62.300 -0.094 0.000 1.035 285 V CB -0.587 31.196 31.823 -0.067 0.000 0.658 285 V HN 0.470 nan 8.190 nan 0.000 0.452 286 E N -0.285 119.863 120.200 -0.086 0.000 2.204 286 E HA -0.136 4.214 4.350 0.000 0.000 0.194 286 E C 2.098 178.640 176.600 -0.097 0.000 0.989 286 E CA 1.098 57.451 56.400 -0.078 0.000 0.824 286 E CB -0.025 29.636 29.700 -0.065 0.000 0.756 286 E HN 0.465 nan 8.360 nan 0.000 0.477 287 V N -0.024 119.812 119.914 -0.130 0.000 2.500 287 V HA -0.136 3.984 4.120 0.000 0.000 0.243 287 V C 2.104 178.062 176.094 -0.226 0.000 1.039 287 V CA 0.828 63.033 62.300 -0.158 0.000 1.053 287 V CB 0.099 31.822 31.823 -0.167 0.000 0.695 287 V HN 0.119 nan 8.190 nan 0.000 0.463 288 V N 0.385 120.128 119.914 -0.285 0.000 2.594 288 V HA -0.263 3.857 4.120 0.000 0.000 0.253 288 V C 2.172 178.160 176.094 -0.177 0.000 1.069 288 V CA 2.159 64.230 62.300 -0.382 0.000 1.082 288 V CB -0.638 30.969 31.823 -0.360 0.000 0.680 288 V HN 0.559 nan 8.190 nan 0.000 0.469 289 D N -0.094 120.235 120.400 -0.118 0.000 2.088 289 D HA -0.187 4.453 4.640 0.000 0.000 0.191 289 D C 2.345 178.615 176.300 -0.050 0.000 0.992 289 D CA 2.046 56.008 54.000 -0.063 0.000 0.831 289 D CB -0.274 40.492 40.800 -0.056 0.000 0.973 289 D HN 0.277 nan 8.370 nan 0.000 0.447 290 T N -0.174 114.340 114.554 -0.067 0.000 2.699 290 T HA -0.195 4.155 4.350 0.000 0.000 0.268 290 T C 0.399 175.083 174.700 -0.027 0.000 1.036 290 T CA 1.340 63.411 62.100 -0.048 0.000 1.147 290 T CB -0.337 68.496 68.868 -0.059 0.000 0.862 290 T HN 0.076 nan 8.240 nan 0.000 0.446 291 D N 1.306 121.683 120.400 -0.038 0.000 2.483 291 D HA 0.114 4.754 4.640 0.000 0.000 0.220 291 D C 0.003 176.354 176.300 0.085 0.000 1.173 291 D CA -0.053 53.970 54.000 0.039 0.000 0.964 291 D CB -0.515 40.332 40.800 0.078 0.000 1.046 291 D HN 0.166 nan 8.370 nan 0.000 0.517 292 N N 2.725 121.459 118.700 0.057 0.000 2.389 292 N HA 0.012 4.752 4.740 0.000 0.000 0.237 292 N C -0.410 175.135 175.510 0.057 0.000 1.148 292 N CA -0.252 52.831 53.050 0.055 0.000 0.854 292 N CB 0.024 38.528 38.487 0.028 0.000 1.115 292 N HN 0.347 nan 8.380 nan 0.000 0.492 293 N N 0.610 119.359 118.700 0.081 0.000 2.444 293 N HA 0.246 4.986 4.740 0.000 0.000 0.262 293 N C -1.534 174.073 175.510 0.161 0.000 0.974 293 N CA -0.107 52.983 53.050 0.065 0.000 0.933 293 N CB 0.582 39.085 38.487 0.026 0.000 1.137 293 N HN -0.058 nan 8.380 nan 0.000 0.498 294 F N 2.678 122.590 119.950 -0.063 0.000 2.689 294 F HA 0.207 4.734 4.527 0.000 0.000 0.314 294 F C -2.542 173.180 175.800 -0.131 0.000 1.068 294 F CA -0.906 57.047 58.000 -0.078 0.000 1.023 294 F CB 1.645 40.604 39.000 -0.069 0.000 1.264 294 F HN 0.396 nan 8.300 nan 0.000 0.474 295 P HA 0.108 nan 4.420 nan 0.000 0.260 295 P C -0.431 176.852 177.300 -0.029 0.000 1.207 295 P CA 0.248 63.265 63.100 -0.139 0.000 0.780 295 P CB 0.366 31.981 31.700 -0.142 0.000 0.789 296 R N 2.319 122.733 120.500 -0.142 0.000 2.678 296 R HA 0.024 4.364 4.340 0.000 0.000 0.264 296 R C 0.097 176.369 176.300 -0.046 0.000 0.995 296 R CA 0.024 56.079 56.100 -0.074 0.000 1.098 296 R CB 0.053 30.301 30.300 -0.087 0.000 0.949 296 R HN 0.357 nan 8.270 nan 0.000 0.422 297 L N 3.750 124.953 121.223 -0.033 0.000 2.307 297 L HA 0.375 4.715 4.340 0.000 0.000 0.282 297 L C 0.081 176.941 176.870 -0.017 0.000 1.051 297 L CA 0.108 54.932 54.840 -0.026 0.000 0.804 297 L CB 1.057 43.084 42.059 -0.053 0.000 1.197 297 L HN 0.614 nan 8.230 nan 0.000 0.431 298 R N 3.839 124.338 120.500 -0.001 0.000 2.892 298 R HA 1.014 5.354 4.340 0.000 0.000 0.265 298 R C -1.616 174.695 176.300 0.018 0.000 1.025 298 R CA -0.933 55.173 56.100 0.009 0.000 0.982 298 R CB 1.819 32.132 30.300 0.022 0.000 1.185 298 R HN 0.621 nan 8.270 nan 0.000 0.484 299 A N 0.478 123.310 122.820 0.021 0.000 2.547 299 A HA 0.699 5.019 4.320 0.000 0.000 0.297 299 A C -1.104 176.509 177.584 0.048 0.000 1.056 299 A CA -0.480 51.579 52.037 0.037 0.000 0.688 299 A CB 2.059 21.061 19.000 0.003 0.000 1.282 299 A HN 0.912 nan 8.150 nan 0.000 0.400 300 G N 0.158 109.012 108.800 0.091 0.000 2.530 300 G HA2 0.626 4.587 3.960 0.000 0.000 0.316 300 G HA3 0.626 4.587 3.960 0.000 0.000 0.316 300 G C -1.175 173.788 174.900 0.104 0.000 1.298 300 G CA -0.523 44.635 45.100 0.096 0.000 0.948 300 G HN 1.183 nan 8.290 nan 0.000 0.486 301 V N 0.533 120.490 119.914 0.072 0.000 2.709 301 V HA 0.913 5.033 4.120 0.000 0.000 0.308 301 V C 0.103 176.231 176.094 0.058 0.000 1.062 301 V CA -0.695 61.629 62.300 0.041 0.000 0.901 301 V CB 1.314 33.135 31.823 -0.004 0.000 1.003 301 V HN 1.308 nan 8.190 nan 0.000 0.425 302 A N 2.691 125.534 122.820 0.038 0.000 2.587 302 A HA 0.943 5.263 4.320 0.000 0.000 0.293 302 A C -0.693 176.893 177.584 0.003 0.000 1.087 302 A CA -0.525 51.537 52.037 0.041 0.000 0.692 302 A CB 2.155 21.195 19.000 0.067 0.000 1.291 302 A HN 0.717 nan 8.150 nan 0.000 0.407 303 S N -0.916 114.787 115.700 0.004 0.000 2.599 303 S HA 0.994 5.465 4.470 0.000 0.000 0.294 303 S C 0.187 174.787 174.600 0.000 0.000 1.094 303 S CA 0.020 58.207 58.200 -0.021 0.000 0.931 303 S CB 1.926 65.107 63.200 -0.031 0.000 1.093 303 S HN 2.309 nan 8.310 nan 0.000 0.488 304 G N 0.961 109.757 108.800 -0.007 0.000 2.351 304 G HA2 0.261 4.222 3.960 0.000 0.000 0.279 304 G HA3 0.261 4.222 3.960 0.000 0.000 0.279 304 G C -1.969 172.951 174.900 0.032 0.000 1.297 304 G CA -0.950 44.161 45.100 0.019 0.000 0.886 304 G HN 0.442 nan 8.290 nan 0.000 0.493 305 M N 1.147 120.784 119.600 0.062 0.000 2.108 305 M HA 0.694 5.174 4.480 0.000 0.000 0.354 305 M C 0.310 176.696 176.300 0.144 0.000 1.229 305 M CA -0.670 54.687 55.300 0.095 0.000 1.081 305 M CB 0.205 32.857 32.600 0.087 0.000 1.606 305 M HN 1.221 nan 8.290 nan 0.000 0.467 306 A N 3.718 126.668 122.820 0.218 0.000 2.401 306 A HA 0.812 5.132 4.320 0.000 0.000 0.310 306 A C -0.673 177.195 177.584 0.474 0.000 1.075 306 A CA -0.712 51.531 52.037 0.342 0.000 0.746 306 A CB 1.428 20.657 19.000 0.383 0.000 1.277 306 A HN 0.540 nan 8.150 nan 0.000 0.425 307 V N 1.326 121.466 119.914 0.376 0.000 2.546 307 V HA 0.462 4.582 4.120 0.000 0.000 0.284 307 V C 0.782 176.931 176.094 0.091 0.000 1.050 307 V CA -0.190 62.247 62.300 0.228 0.000 0.981 307 V CB 1.543 33.455 31.823 0.147 0.000 0.990 307 V HN 0.874 nan 8.190 nan 0.000 0.474 308 S N 5.165 120.686 115.700 -0.298 0.000 2.457 308 S HA 0.700 5.170 4.470 0.000 0.000 0.289 308 S C -0.403 174.001 174.600 -0.326 0.000 1.163 308 S CA -0.646 57.089 58.200 -0.775 0.000 1.078 308 S CB 0.302 62.791 63.200 -1.186 0.000 0.987 308 S HN 0.775 nan 8.310 nan 0.000 0.482 309 R N 3.190 123.579 120.500 -0.186 0.000 2.535 309 R HA 0.535 4.875 4.340 0.000 0.000 0.274 309 R C -0.216 176.063 176.300 -0.035 0.000 1.090 309 R CA 0.281 56.324 56.100 -0.096 0.000 0.930 309 R CB 1.009 31.240 30.300 -0.116 0.000 1.223 309 R HN 1.041 nan 8.270 nan 0.000 0.441 310 A N 2.528 125.299 122.820 -0.082 0.000 2.783 310 A HA -0.164 4.156 4.320 0.000 0.000 0.292 310 A C 1.103 178.639 177.584 -0.080 0.000 1.495 310 A CA 1.767 53.770 52.037 -0.056 0.000 0.787 310 A CB -2.198 16.802 19.000 0.001 0.000 1.017 310 A HN 2.074 nan 8.150 nan 0.000 0.516 311 G N -2.114 106.581 108.800 -0.175 0.000 2.184 311 G HA2 -0.225 3.736 3.960 0.000 0.000 0.264 311 G HA3 -0.225 3.736 3.960 0.000 0.000 0.264 311 G C 0.036 174.800 174.900 -0.227 0.000 0.975 311 G CA 1.083 46.056 45.100 -0.212 0.000 0.642 311 G HN 1.269 nan 8.290 nan 0.000 0.536 312 D N -1.084 119.171 120.400 -0.241 0.000 2.442 312 D HA 0.706 5.346 4.640 0.000 0.000 0.254 312 D C -0.534 175.427 176.300 -0.566 0.000 1.069 312 D CA -0.641 53.215 54.000 -0.239 0.000 1.017 312 D CB 0.985 41.710 40.800 -0.125 0.000 1.172 312 D HN 0.154 nan 8.370 nan 0.000 0.561 313 W N 0.321 121.382 121.300 -0.398 0.000 2.883 313 W HA 0.535 5.195 4.660 0.000 0.000 0.335 313 W C -0.931 175.251 176.519 -0.560 0.000 1.083 313 W CA -0.634 56.554 57.345 -0.261 0.000 1.233 313 W CB 1.216 30.628 29.460 -0.079 0.000 1.412 313 W HN 0.076 nan 8.180 nan 0.000 0.490 314 F N 1.874 121.989 119.950 0.275 0.000 2.578 314 F HA 0.851 5.378 4.527 0.000 0.000 0.311 314 F C 0.748 176.651 175.800 0.173 0.000 1.094 314 F CA -0.571 57.526 58.000 0.161 0.000 0.923 314 F CB 2.153 41.169 39.000 0.028 0.000 1.230 314 F HN 0.596 nan 8.300 nan 0.000 0.450 315 G N 0.599 109.587 108.800 0.313 0.000 2.316 315 G HA2 0.005 3.965 3.960 0.000 0.000 0.349 315 G HA3 0.005 3.965 3.960 0.000 0.000 0.349 315 G C 0.380 175.383 174.900 0.172 0.000 1.274 315 G CA -0.252 44.979 45.100 0.219 0.000 1.018 315 G HN 0.858 nan 8.290 nan 0.000 0.486 316 S N 0.666 116.447 115.700 0.134 0.000 2.359 316 S HA -0.082 4.388 4.470 0.000 0.000 0.222 316 S C 0.751 175.416 174.600 0.107 0.000 1.038 316 S CA 3.016 61.280 58.200 0.106 0.000 1.051 316 S CB -0.855 62.396 63.200 0.084 0.000 0.944 316 S HN 0.564 nan 8.310 nan 0.000 0.433 317 P HA 0.013 nan 4.420 nan 0.000 0.219 317 P C 1.642 179.017 177.300 0.125 0.000 1.150 317 P CA 0.831 63.984 63.100 0.087 0.000 0.814 317 P CB -0.271 31.457 31.700 0.048 0.000 0.787 318 V N 0.943 120.953 119.914 0.159 0.000 2.295 318 V HA -0.242 3.878 4.120 0.000 0.000 0.246 318 V C 2.257 178.509 176.094 0.264 0.000 1.049 318 V CA 2.285 64.732 62.300 0.246 0.000 1.024 318 V CB -1.685 30.276 31.823 0.231 0.000 0.648 318 V HN 0.156 nan 8.190 nan 0.000 0.447 319 N N -0.126 118.679 118.700 0.176 0.000 2.142 319 N HA -0.124 4.616 4.740 0.000 0.000 0.186 319 N C 1.739 177.306 175.510 0.095 0.000 1.023 319 N CA 1.181 54.304 53.050 0.122 0.000 0.852 319 N CB -0.184 38.366 38.487 0.105 0.000 0.998 319 N HN 0.288 nan 8.380 nan 0.000 0.424 320 V N 1.520 121.495 119.914 0.102 0.000 2.295 320 V HA -0.218 3.902 4.120 0.000 0.000 0.246 320 V C 2.434 178.590 176.094 0.104 0.000 1.049 320 V CA 1.946 64.297 62.300 0.085 0.000 1.024 320 V CB -0.916 30.954 31.823 0.078 0.000 0.648 320 V HN 0.345 nan 8.190 nan 0.000 0.447 321 A N -0.618 122.300 122.820 0.164 0.000 1.908 321 A HA -0.267 4.053 4.320 0.000 0.000 0.218 321 A C 2.568 180.304 177.584 0.253 0.000 1.181 321 A CA 2.374 54.553 52.037 0.237 0.000 0.627 321 A CB -0.867 18.312 19.000 0.299 0.000 0.818 321 A HN 0.492 nan 8.150 nan 0.000 0.445 322 S N -0.791 114.986 115.700 0.130 0.000 2.359 322 S HA -0.191 4.280 4.470 0.000 0.000 0.224 322 S C 2.239 176.766 174.600 -0.123 0.000 1.035 322 S CA 1.406 59.449 58.200 -0.262 0.000 1.018 322 S CB -0.332 62.641 63.200 -0.378 0.000 0.876 322 S HN 0.581 nan 8.310 nan 0.000 0.448 323 R N 0.469 120.947 120.500 -0.038 0.000 2.073 323 R HA 0.054 4.395 4.340 0.000 0.000 0.229 323 R C 2.353 178.650 176.300 -0.004 0.000 1.120 323 R CA 1.152 57.238 56.100 -0.022 0.000 0.967 323 R CB -1.317 28.982 30.300 -0.003 0.000 0.862 323 R HN 0.399 nan 8.270 nan 0.000 0.436 324 V N 1.268 121.196 119.914 0.023 0.000 2.332 324 V HA -0.247 3.873 4.120 0.000 0.000 0.248 324 V C 2.284 178.396 176.094 0.029 0.000 1.055 324 V CA 2.274 64.592 62.300 0.030 0.000 1.038 324 V CB -0.812 31.043 31.823 0.054 0.000 0.651 324 V HN 0.362 nan 8.190 nan 0.000 0.450 325 T N 0.454 115.034 114.554 0.043 0.000 2.699 325 T HA -0.177 4.173 4.350 0.000 0.000 0.268 325 T C 1.860 176.567 174.700 0.011 0.000 1.036 325 T CA 1.662 63.787 62.100 0.042 0.000 1.147 325 T CB -0.693 68.210 68.868 0.059 0.000 0.862 325 T HN 0.637 nan 8.240 nan 0.000 0.446 326 G N 0.959 109.751 108.800 -0.012 0.000 2.471 326 G HA2 -0.081 3.879 3.960 0.000 0.000 0.219 326 G HA3 -0.081 3.879 3.960 0.000 0.000 0.219 326 G C 1.657 176.555 174.900 -0.004 0.000 1.125 326 G CA 1.079 46.169 45.100 -0.015 0.000 0.775 326 G HN 0.588 nan 8.290 nan 0.000 0.548 327 V N -2.499 117.414 119.914 -0.002 0.000 3.471 327 V HA 0.662 4.783 4.120 0.000 0.000 0.258 327 V C 1.422 177.516 176.094 0.000 0.000 1.192 327 V CA 0.123 62.420 62.300 -0.005 0.000 1.116 327 V CB -0.476 31.338 31.823 -0.015 0.000 0.792 327 V HN 0.362 nan 8.190 nan 0.000 0.459 328 A N 1.281 124.106 122.820 0.008 0.000 2.466 328 A HA 0.463 4.783 4.320 0.000 0.000 0.238 328 A C 0.564 178.162 177.584 0.024 0.000 1.074 328 A CA -0.115 51.930 52.037 0.013 0.000 0.774 328 A CB 0.020 19.032 19.000 0.020 0.000 1.015 328 A HN 0.643 nan 8.150 nan 0.000 0.498 329 R N 1.065 121.580 120.500 0.026 0.000 2.532 329 R HA 0.385 4.726 4.340 0.000 0.000 0.272 329 R C -2.537 173.797 176.300 0.055 0.000 1.032 329 R CA -1.777 54.351 56.100 0.047 0.000 1.089 329 R CB 0.442 30.767 30.300 0.041 0.000 1.098 329 R HN 0.433 nan 8.270 nan 0.000 0.526 330 P HA -0.066 nan 4.420 nan 0.000 0.261 330 P C 0.320 177.646 177.300 0.044 0.000 1.173 330 P CA 1.200 64.343 63.100 0.070 0.000 0.760 330 P CB 0.462 32.244 31.700 0.136 0.000 0.783 331 G N 1.819 110.627 108.800 0.013 0.000 2.176 331 G HA2 -0.150 3.810 3.960 0.000 0.000 0.253 331 G HA3 -0.150 3.810 3.960 0.000 0.000 0.253 331 G C 0.310 175.207 174.900 -0.004 0.000 0.979 331 G CA 0.012 45.113 45.100 0.001 0.000 0.641 331 G HN 0.870 nan 8.290 nan 0.000 0.530 332 A N -0.186 122.636 122.820 0.003 0.000 2.305 332 A HA 0.782 5.102 4.320 0.000 0.000 0.322 332 A C -0.038 177.541 177.584 -0.009 0.000 1.187 332 A CA -0.170 51.865 52.037 -0.002 0.000 0.825 332 A CB 1.843 20.848 19.000 0.007 0.000 1.164 332 A HN 1.091 nan 8.150 nan 0.000 0.498 333 V N 4.286 124.186 119.914 -0.023 0.000 2.311 333 V HA 0.259 4.379 4.120 0.000 0.000 0.275 333 V C -0.061 176.027 176.094 -0.010 0.000 1.022 333 V CA -0.119 62.164 62.300 -0.030 0.000 0.830 333 V CB 0.508 32.288 31.823 -0.071 0.000 1.012 333 V HN 0.757 nan 8.190 nan 0.000 0.452 334 L N 5.194 126.428 121.223 0.018 0.000 2.334 334 L HA 0.665 5.005 4.340 0.000 0.000 0.277 334 L C -0.570 176.347 176.870 0.078 0.000 1.075 334 L CA -0.471 54.398 54.840 0.050 0.000 0.804 334 L CB 1.939 44.017 42.059 0.032 0.000 1.174 334 L HN 0.350 nan 8.230 nan 0.000 0.438 335 V N 2.676 122.681 119.914 0.152 0.000 2.623 335 V HA 0.484 4.605 4.120 0.000 0.000 0.304 335 V C 0.123 176.377 176.094 0.266 0.000 1.054 335 V CA -0.739 61.681 62.300 0.200 0.000 0.882 335 V CB 1.890 33.881 31.823 0.280 0.000 1.002 335 V HN 0.887 nan 8.190 nan 0.000 0.424 336 A N 2.485 125.417 122.820 0.187 0.000 2.386 336 A HA 0.296 4.616 4.320 0.000 0.000 0.248 336 A C 1.221 178.953 177.584 0.247 0.000 1.082 336 A CA 0.385 52.532 52.037 0.183 0.000 0.789 336 A CB 0.056 19.123 19.000 0.111 0.000 1.025 336 A HN 1.017 nan 8.150 nan 0.000 0.490 337 D N 0.828 121.398 120.400 0.283 0.000 2.203 337 D HA -0.220 4.420 4.640 0.000 0.000 0.199 337 D C 2.090 178.439 176.300 0.083 0.000 0.997 337 D CA 2.438 56.596 54.000 0.264 0.000 0.863 337 D CB 0.046 40.993 40.800 0.245 0.000 0.928 337 D HN 0.622 nan 8.370 nan 0.000 0.458 338 S N -0.990 114.754 115.700 0.072 0.000 2.402 338 S HA -0.193 4.277 4.470 0.000 0.000 0.233 338 S C 2.150 176.749 174.600 -0.002 0.000 1.030 338 S CA 1.369 59.586 58.200 0.029 0.000 1.003 338 S CB -0.769 62.454 63.200 0.037 0.000 0.813 338 S HN 0.187 nan 8.310 nan 0.000 0.477 339 V N 2.258 122.178 119.914 0.009 0.000 2.379 339 V HA -0.075 4.045 4.120 0.000 0.000 0.245 339 V C 2.924 178.972 176.094 -0.078 0.000 1.044 339 V CA 1.734 64.029 62.300 -0.009 0.000 1.036 339 V CB -0.753 31.100 31.823 0.050 0.000 0.664 339 V HN 0.459 nan 8.190 nan 0.000 0.453 340 R N 0.104 120.486 120.500 -0.196 0.000 2.075 340 R HA -0.160 4.180 4.340 0.000 0.000 0.232 340 R C 2.305 178.456 176.300 -0.249 0.000 1.126 340 R CA 1.615 57.464 56.100 -0.418 0.000 0.963 340 R CB -0.357 29.506 30.300 -0.729 0.000 0.858 340 R HN 0.617 nan 8.270 nan 0.000 0.435 341 E N 0.728 120.836 120.200 -0.152 0.000 2.070 341 E HA -0.212 4.139 4.350 0.000 0.000 0.197 341 E C 1.955 178.510 176.600 -0.075 0.000 1.004 341 E CA 1.487 57.830 56.400 -0.096 0.000 0.805 341 E CB -0.153 29.517 29.700 -0.051 0.000 0.744 341 E HN 0.363 nan 8.360 nan 0.000 0.451 342 A N 0.690 123.473 122.820 -0.063 0.000 2.066 342 A HA -0.058 4.262 4.320 0.000 0.000 0.218 342 A C 2.067 179.627 177.584 -0.040 0.000 1.157 342 A CA 0.605 52.615 52.037 -0.045 0.000 0.670 342 A CB -0.335 18.640 19.000 -0.041 0.000 0.804 342 A HN 0.134 nan 8.150 nan 0.000 0.453 343 L N -1.082 120.113 121.223 -0.047 0.000 2.291 343 L HA 0.053 4.393 4.340 0.000 0.000 0.214 343 L C 1.549 178.410 176.870 -0.016 0.000 1.120 343 L CA 0.730 55.563 54.840 -0.011 0.000 0.799 343 L CB -0.323 41.744 42.059 0.013 0.000 0.925 343 L HN 0.586 nan 8.230 nan 0.000 0.446 344 G N 1.030 109.805 108.800 -0.042 0.000 2.341 344 G HA2 -0.200 3.760 3.960 0.000 0.000 0.278 344 G HA3 -0.200 3.760 3.960 0.000 0.000 0.278 344 G C -0.139 174.740 174.900 -0.036 0.000 1.111 344 G CA 0.005 45.084 45.100 -0.035 0.000 0.982 344 G HN 0.358 nan 8.290 nan 0.000 0.502 350 D N 1.528 121.951 120.400 0.037 0.000 2.524 350 D HA 0.400 5.041 4.640 0.000 0.000 0.222 350 D C 0.679 176.931 176.300 -0.080 0.000 1.142 350 D CA 0.592 54.652 54.000 0.101 0.000 0.973 350 D CB 0.595 41.516 40.800 0.203 0.000 1.025 350 D HN 0.317 nan 8.370 nan 0.000 0.519 351 G N 2.480 111.046 108.800 -0.390 0.000 3.949 351 G HA2 0.248 4.208 3.960 0.000 0.000 0.295 351 G HA3 0.248 4.208 3.960 0.000 0.000 0.295 351 G C -0.208 174.299 174.900 -0.656 0.000 1.286 351 G CA -0.277 44.550 45.100 -0.455 0.000 1.171 351 G HN 0.264 nan 8.290 nan 0.000 0.586 352 F N -0.367 119.541 119.950 -0.069 0.000 2.563 352 F HA 0.493 5.020 4.527 0.000 0.000 0.316 352 F C 0.073 175.706 175.800 -0.279 0.000 1.076 352 F CA -1.381 56.465 58.000 -0.257 0.000 0.921 352 F CB 2.386 41.121 39.000 -0.441 0.000 1.209 352 F HN 0.121 nan 8.300 nan 0.000 0.462 353 Q N 1.168 120.861 119.800 -0.179 0.000 2.245 353 Q HA 0.588 4.928 4.340 0.000 0.000 0.256 353 Q C -2.027 173.750 176.000 -0.372 0.000 0.942 353 Q CA -0.572 55.152 55.803 -0.132 0.000 0.896 353 Q CB 1.491 30.208 28.738 -0.036 0.000 1.272 353 Q HN 0.539 nan 8.270 nan 0.000 0.442 354 W N 1.096 122.437 121.300 0.068 0.000 2.761 354 W HA 0.727 5.387 4.660 0.000 0.000 0.340 354 W C -0.896 175.720 176.519 0.162 0.000 1.072 354 W CA -0.635 56.758 57.345 0.079 0.000 1.215 354 W CB 2.406 31.834 29.460 -0.053 0.000 1.420 354 W HN 0.673 nan 8.180 nan 0.000 0.519 355 S N 1.946 117.936 115.700 0.483 0.000 2.571 355 S HA 0.417 4.887 4.470 0.000 0.000 0.284 355 S C -1.295 173.640 174.600 0.558 0.000 1.128 355 S CA -0.796 57.655 58.200 0.418 0.000 0.970 355 S CB 1.300 64.636 63.200 0.227 0.000 1.039 355 S HN 0.302 nan 8.310 nan 0.000 0.485 356 F N 2.935 123.080 119.950 0.324 0.000 2.578 356 F HA 0.425 4.953 4.527 0.000 0.000 0.381 356 F C 0.958 176.715 175.800 -0.072 0.000 1.069 356 F CA -0.553 57.449 58.000 0.005 0.000 1.231 356 F CB 0.480 39.480 39.000 0.001 0.000 1.086 356 F HN 0.747 nan 8.300 nan 0.000 0.564 357 A N 4.424 126.810 122.820 -0.723 0.000 2.431 357 A HA 0.591 4.912 4.320 0.000 0.000 0.239 357 A C 0.836 177.957 177.584 -0.772 0.000 1.230 357 A CA 0.346 52.062 52.037 -0.535 0.000 0.928 357 A CB -0.939 17.896 19.000 -0.275 0.000 1.006 357 A HN 1.711 nan 8.150 nan 0.000 0.520 358 G N -0.024 107.820 108.800 -1.594 0.000 2.707 358 G HA2 -0.006 3.954 3.960 0.000 0.000 0.686 358 G HA3 -0.006 3.954 3.960 0.000 0.000 0.686 358 G C -3.247 171.291 174.900 -0.604 0.000 1.315 358 G CA -0.486 43.927 45.100 -1.145 0.000 0.832 358 G HN 0.234 nan 8.290 nan 0.000 0.573 359 P HA 0.561 nan 4.420 nan 0.000 0.272 359 P C -0.300 176.936 177.300 -0.107 0.000 1.223 359 P CA -0.010 63.030 63.100 -0.100 0.000 0.784 359 P CB 1.224 32.923 31.700 -0.002 0.000 0.923 360 R N 1.191 121.647 120.500 -0.073 0.000 2.515 360 R HA 0.320 4.661 4.340 0.000 0.000 0.278 360 R C -0.426 175.856 176.300 -0.031 0.000 1.107 360 R CA -0.475 55.588 56.100 -0.060 0.000 0.945 360 R CB 1.447 31.702 30.300 -0.074 0.000 1.219 360 R HN 0.351 nan 8.270 nan 0.000 0.434 361 R N 3.803 124.289 120.500 -0.023 0.000 2.340 361 R HA 0.432 4.773 4.340 0.000 0.000 0.300 361 R C -0.477 175.817 176.300 -0.010 0.000 1.069 361 R CA -0.306 55.787 56.100 -0.011 0.000 0.984 361 R CB 0.668 30.964 30.300 -0.008 0.000 1.003 361 R HN 0.422 nan 8.270 nan 0.000 0.459 362 L N 3.340 124.562 121.223 -0.002 0.000 2.341 362 L HA 0.446 4.786 4.340 0.000 0.000 0.278 362 L C 0.496 177.368 176.870 0.003 0.000 1.005 362 L CA -1.117 53.723 54.840 -0.001 0.000 0.818 362 L CB 1.690 43.752 42.059 0.005 0.000 1.259 362 L HN 0.345 nan 8.230 nan 0.000 0.418 363 R N 1.966 122.466 120.500 -0.000 0.000 2.485 363 R HA -0.000 4.340 4.340 0.000 0.000 0.304 363 R C 1.142 177.447 176.300 0.008 0.000 0.934 363 R CA 1.303 57.404 56.100 0.002 0.000 1.102 363 R CB -0.061 30.237 30.300 -0.003 0.000 0.906 363 R HN 1.025 nan 8.270 nan 0.000 0.407 364 G N 2.959 111.766 108.800 0.012 0.000 2.234 364 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 364 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 364 G C 0.125 175.039 174.900 0.024 0.000 0.987 364 G CA 0.036 45.147 45.100 0.018 0.000 0.625 364 G HN 0.500 nan 8.290 nan 0.000 0.532 365 I N 0.551 121.134 120.570 0.022 0.000 2.392 365 I HA 0.517 4.688 4.170 0.000 0.000 0.295 365 I C 1.416 177.546 176.117 0.021 0.000 0.985 365 I CA -0.709 60.606 61.300 0.026 0.000 1.221 365 I CB 1.499 39.516 38.000 0.030 0.000 1.366 365 I HN 0.124 nan 8.210 nan 0.000 0.467 366 R N 3.419 123.933 120.500 0.023 0.000 2.065 366 R HA 0.104 4.444 4.340 0.000 0.000 0.224 366 R C 0.821 177.130 176.300 0.016 0.000 1.161 366 R CA 0.927 57.038 56.100 0.019 0.000 0.923 366 R CB -0.378 29.934 30.300 0.020 0.000 0.822 366 R HN 0.832 nan 8.270 nan 0.000 0.437 367 G N 1.028 109.839 108.800 0.018 0.000 2.476 367 G HA2 0.127 4.087 3.960 0.000 0.000 0.269 367 G HA3 0.127 4.087 3.960 0.000 0.000 0.269 367 G C -1.044 173.866 174.900 0.016 0.000 1.195 367 G CA -0.531 44.579 45.100 0.017 0.000 0.843 367 G HN 0.474 nan 8.290 nan 0.000 0.545 368 D N -0.823 119.584 120.400 0.013 0.000 2.382 368 D HA 0.247 4.888 4.640 0.000 0.000 0.240 368 D C 0.035 176.343 176.300 0.012 0.000 1.146 368 D CA -0.354 53.650 54.000 0.007 0.000 0.897 368 D CB 1.094 41.894 40.800 -0.000 0.000 1.197 368 D HN 0.187 nan 8.370 nan 0.000 0.432 369 V N 1.067 120.984 119.914 0.004 0.000 2.459 369 V HA 0.373 4.494 4.120 0.000 0.000 0.295 369 V C 0.166 176.253 176.094 -0.012 0.000 1.029 369 V CA -1.034 61.274 62.300 0.012 0.000 0.874 369 V CB 1.278 33.113 31.823 0.020 0.000 0.985 369 V HN 0.429 nan 8.190 nan 0.000 0.438 370 R N 3.901 124.410 120.500 0.015 0.000 2.267 370 R HA 0.543 4.883 4.340 0.000 0.000 0.319 370 R C -0.827 175.416 176.300 -0.094 0.000 1.067 370 R CA -0.127 55.963 56.100 -0.016 0.000 0.936 370 R CB 0.267 30.636 30.300 0.115 0.000 1.006 370 R HN 0.418 nan 8.270 nan 0.000 0.452 371 L N 3.890 124.927 121.223 -0.311 0.000 2.330 371 L HA 0.602 4.942 4.340 0.000 0.000 0.271 371 L C -0.846 175.722 176.870 -0.504 0.000 1.013 371 L CA -0.516 54.177 54.840 -0.245 0.000 0.816 371 L CB 1.029 42.980 42.059 -0.179 0.000 1.287 371 L HN 0.465 nan 8.230 nan 0.000 0.435 372 F N 0.693 120.702 119.950 0.097 0.000 2.565 372 F HA 0.595 5.123 4.527 0.000 0.000 0.313 372 F C 0.089 175.968 175.800 0.132 0.000 1.091 372 F CA -0.881 57.230 58.000 0.185 0.000 0.915 372 F CB 1.677 40.920 39.000 0.404 0.000 1.208 372 F HN 0.214 nan 8.300 nan 0.000 0.453 373 R N 1.421 122.091 120.500 0.283 0.000 2.357 373 R HA 0.720 5.061 4.340 0.000 0.000 0.296 373 R C -1.272 175.072 176.300 0.074 0.000 1.052 373 R CA -0.688 55.492 56.100 0.133 0.000 0.988 373 R CB 1.346 31.691 30.300 0.075 0.000 1.025 373 R HN 0.375 nan 8.270 nan 0.000 0.469 374 V N 3.136 122.993 119.914 -0.095 0.000 2.680 374 V HA 0.565 4.685 4.120 0.000 0.000 0.309 374 V C 0.019 175.977 176.094 -0.226 0.000 1.052 374 V CA -0.922 61.165 62.300 -0.355 0.000 0.908 374 V CB 1.956 33.387 31.823 -0.653 0.000 1.001 374 V HN 0.731 nan 8.190 nan 0.000 0.431 375 R N 1.492 121.862 120.500 -0.216 0.000 2.855 375 R HA 0.555 4.895 4.340 0.000 0.000 0.266 375 R C -0.661 175.611 176.300 -0.046 0.000 1.034 375 R CA -1.113 54.926 56.100 -0.101 0.000 0.944 375 R CB 1.696 31.957 30.300 -0.065 0.000 1.219 375 R HN 0.531 nan 8.270 nan 0.000 0.474 376 R N 0.894 121.384 120.500 -0.017 0.000 2.458 376 R HA 0.048 4.388 4.340 0.000 0.000 0.303 376 R C 0.384 176.644 176.300 -0.066 0.000 1.013 376 R CA 0.310 56.391 56.100 -0.031 0.000 1.026 376 R CB 0.346 30.616 30.300 -0.049 0.000 0.948 376 R HN 0.812 nan 8.270 nan 0.000 0.417 377 G N 0.000 108.737 108.800 -0.105 0.000 5.446 377 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 377 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 377 G CA 0.000 45.051 45.100 -0.082 0.000 0.502 377 G HN 0.000 nan 8.290 nan 0.000 0.925