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 1zz3_1_A DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.640 177.584 0.094 0.000 1.274 2 A CA 0.000 52.083 52.037 0.076 0.000 0.836 2 A CB 0.000 19.040 19.000 0.066 0.000 0.831 3 I N 2.858 123.492 120.570 0.108 0.000 2.355 3 I HA 0.466 4.637 4.170 0.001 0.000 0.288 3 I C 1.020 177.234 176.117 0.161 0.000 0.999 3 I CA -0.218 61.164 61.300 0.137 0.000 1.163 3 I CB 0.880 38.961 38.000 0.135 0.000 1.316 3 I HN 0.813 nan 8.210 nan 0.000 0.454 4 G N 5.578 114.483 108.800 0.175 0.000 2.503 4 G HA2 0.305 4.266 3.960 0.001 0.000 0.257 4 G HA3 0.305 4.266 3.960 0.001 0.000 0.257 4 G C -1.559 173.517 174.900 0.292 0.000 1.214 4 G CA -0.013 45.200 45.100 0.189 0.000 0.839 4 G HN 0.542 nan 8.290 nan 0.000 0.559 5 Y N 0.997 121.370 120.300 0.122 0.000 2.401 5 Y HA 0.484 5.035 4.550 0.001 0.000 0.330 5 Y C -1.073 174.918 175.900 0.152 0.000 1.071 5 Y CA -0.992 57.200 58.100 0.153 0.000 1.049 5 Y CB 1.884 40.418 38.460 0.123 0.000 1.239 5 Y HN 0.464 nan 8.280 nan 0.000 0.437 6 V N 6.554 126.269 119.914 -0.332 0.000 2.384 6 V HA 0.383 4.504 4.120 0.001 0.000 0.287 6 V C -1.027 174.861 176.094 -0.343 0.000 1.020 6 V CA -0.752 61.396 62.300 -0.254 0.000 0.850 6 V CB 1.524 33.321 31.823 -0.042 0.000 0.987 6 V HN 0.819 nan 8.190 nan 0.000 0.436 7 W N 6.124 127.137 121.300 -0.479 0.000 3.211 7 W HA 0.457 5.118 4.660 0.001 0.000 0.335 7 W C -1.845 174.368 176.519 -0.510 0.000 1.113 7 W CA -0.569 56.520 57.345 -0.427 0.000 1.235 7 W CB 2.112 31.156 29.460 -0.693 0.000 1.365 7 W HN 0.611 nan 8.180 nan 0.000 0.476 8 N N 2.756 120.470 118.700 -1.643 0.000 2.284 8 N HA 0.189 4.930 4.740 0.001 0.000 0.300 8 N C 0.675 175.169 175.510 -1.692 0.000 1.047 8 N CA -0.061 52.094 53.050 -1.491 0.000 0.821 8 N CB 2.265 39.794 38.487 -1.597 0.000 1.337 8 N HN 0.410 nan 8.380 nan 0.000 0.482 9 T N 3.039 117.010 114.554 -0.972 0.000 2.721 9 T HA -0.122 4.229 4.350 0.001 0.000 0.268 9 T C 1.840 176.054 174.700 -0.810 0.000 1.038 9 T CA 1.248 62.953 62.100 -0.659 0.000 1.145 9 T CB -0.059 68.515 68.868 -0.489 0.000 0.858 9 T HN 0.509 nan 8.240 nan 0.000 0.459 10 L N -0.368 120.317 121.223 -0.896 0.000 2.275 10 L HA -0.061 4.280 4.340 0.001 0.000 0.215 10 L C 2.207 178.884 176.870 -0.321 0.000 1.119 10 L CA 1.185 55.633 54.840 -0.654 0.000 0.790 10 L CB -0.745 41.013 42.059 -0.501 0.000 0.919 10 L HN 0.434 nan 8.230 nan 0.000 0.443 11 Y N 0.034 119.960 120.300 -0.623 0.000 2.241 11 Y HA -0.232 4.319 4.550 0.001 0.000 0.286 11 Y C 2.459 178.231 175.900 -0.212 0.000 1.166 11 Y CA 0.350 58.125 58.100 -0.542 0.000 1.203 11 Y CB -0.413 37.443 38.460 -1.005 0.000 0.977 11 Y HN 0.264 nan 8.280 nan 0.000 0.529 12 G N -1.891 106.956 108.800 0.077 0.000 2.985 12 G HA2 -0.122 3.838 3.960 0.001 0.000 0.209 12 G HA3 -0.122 3.838 3.960 0.001 0.000 0.209 12 G C 0.449 175.616 174.900 0.445 0.000 1.165 12 G CA -0.103 45.251 45.100 0.424 0.000 0.776 12 G HN 0.361 nan 8.290 nan 0.000 0.541 13 W N 0.482 121.767 121.300 -0.024 0.000 3.220 13 W HA 0.421 5.082 4.660 0.003 0.000 0.328 13 W C 0.434 176.904 176.519 -0.081 0.000 1.205 13 W CA -1.474 55.841 57.345 -0.049 0.000 1.773 13 W CB -0.394 29.032 29.460 -0.056 0.000 1.086 13 W HN -0.218 nan 8.180 nan 0.000 0.622 14 V N 2.585 122.564 119.914 0.108 0.000 2.617 14 V HA -0.125 3.996 4.120 0.001 0.000 0.304 14 V C 0.394 176.439 176.094 -0.082 0.000 1.040 14 V CA 0.480 62.781 62.300 0.003 0.000 1.149 14 V CB 0.314 32.120 31.823 -0.029 0.000 0.914 14 V HN -0.123 nan 8.190 nan 0.000 0.487 15 D N 3.873 124.225 120.400 -0.080 0.000 2.347 15 D HA 0.179 4.820 4.640 0.001 0.000 0.235 15 D C 1.001 177.205 176.300 -0.161 0.000 1.149 15 D CA -0.150 53.781 54.000 -0.115 0.000 0.850 15 D CB 1.432 42.187 40.800 -0.074 0.000 1.061 15 D HN 0.725 nan 8.370 nan 0.000 0.487 16 T N 0.846 115.269 114.554 -0.218 0.000 3.163 16 T HA 0.478 4.829 4.350 0.001 0.000 0.252 16 T C 1.098 175.663 174.700 -0.225 0.000 1.056 16 T CA 0.118 62.022 62.100 -0.327 0.000 0.947 16 T CB -0.115 68.485 68.868 -0.447 0.000 1.016 16 T HN 0.565 nan 8.240 nan 0.000 0.554 17 G N 1.905 110.638 108.800 -0.111 0.000 2.593 17 G HA2 -0.229 3.732 3.960 0.001 0.000 0.237 17 G HA3 -0.229 3.732 3.960 0.001 0.000 0.237 17 G C 0.526 175.432 174.900 0.009 0.000 1.312 17 G CA 0.488 45.564 45.100 -0.041 0.000 0.896 17 G HN 1.134 nan 8.290 nan 0.000 0.574 18 T N -1.915 112.661 114.554 0.038 0.000 3.091 18 T HA 0.622 4.973 4.350 0.001 0.000 0.277 18 T C 1.101 175.846 174.700 0.074 0.000 0.996 18 T CA 1.130 63.259 62.100 0.048 0.000 0.897 18 T CB 0.546 69.427 68.868 0.023 0.000 1.109 18 T HN 1.902 nan 8.240 nan 0.000 0.534 19 G N 0.530 109.401 108.800 0.118 0.000 2.537 19 G HA2 0.491 4.452 3.960 0.001 0.000 0.297 19 G HA3 0.491 4.452 3.960 0.001 0.000 0.297 19 G C 0.545 175.509 174.900 0.107 0.000 1.310 19 G CA -0.408 44.760 45.100 0.114 0.000 1.027 19 G HN 0.175 nan 8.290 nan 0.000 0.505 20 S N -1.257 114.427 115.700 -0.026 0.000 2.456 20 S HA 0.211 4.682 4.470 0.001 0.000 0.224 20 S C 1.355 175.606 174.600 -0.581 0.000 1.035 20 S CA 0.271 58.353 58.200 -0.195 0.000 0.940 20 S CB -0.027 63.110 63.200 -0.105 0.000 0.799 20 S HN 0.392 nan 8.310 nan 0.000 0.508 21 L N -1.499 119.525 121.223 -0.332 0.000 1.848 21 L HA 0.434 4.775 4.340 0.001 0.000 0.113 21 L C 0.116 177.101 176.870 0.191 0.000 1.456 21 L CA 0.364 55.093 54.840 -0.186 0.000 1.065 21 L CB -0.512 41.485 42.059 -0.103 0.000 2.149 21 L HN 0.232 nan 8.230 nan 0.000 0.462 22 A N 0.892 123.766 122.820 0.091 0.000 2.280 22 A HA 0.636 4.957 4.320 0.001 0.000 0.268 22 A C 0.350 177.998 177.584 0.107 0.000 1.111 22 A CA 0.438 52.537 52.037 0.103 0.000 0.814 22 A CB 0.103 19.135 19.000 0.053 0.000 1.093 22 A HN 0.419 nan 8.150 nan 0.000 0.498 23 A N -0.481 122.389 122.820 0.083 0.000 2.448 23 A HA 0.518 4.839 4.320 0.001 0.000 0.239 23 A C 0.916 178.530 177.584 0.050 0.000 1.080 23 A CA 0.209 52.287 52.037 0.068 0.000 0.779 23 A CB -0.609 18.417 19.000 0.044 0.000 1.026 23 A HN 2.242 nan 8.150 nan 0.000 0.499 24 A N 1.435 124.282 122.820 0.045 0.000 2.520 24 A HA 0.407 4.728 4.320 0.001 0.000 0.235 24 A C 0.483 178.082 177.584 0.024 0.000 1.065 24 A CA 0.207 52.263 52.037 0.031 0.000 0.764 24 A CB -0.102 18.915 19.000 0.028 0.000 1.002 24 A HN 0.925 nan 8.150 nan 0.000 0.502 25 N N 2.174 120.885 118.700 0.019 0.000 2.542 25 N HA 0.195 4.936 4.740 0.001 0.000 0.288 25 N C 0.154 175.671 175.510 0.012 0.000 1.115 25 N CA -0.456 52.603 53.050 0.015 0.000 0.924 25 N CB 1.220 39.716 38.487 0.015 0.000 1.526 25 N HN 0.518 nan 8.380 nan 0.000 0.515 26 L N 1.706 122.936 121.223 0.011 0.000 2.093 26 L HA -0.095 4.246 4.340 0.001 0.000 0.208 26 L C 2.038 178.913 176.870 0.008 0.000 1.085 26 L CA 1.405 56.251 54.840 0.009 0.000 0.755 26 L CB -0.181 41.882 42.059 0.008 0.000 0.904 26 L HN 0.556 nan 8.230 nan 0.000 0.435 27 T N -0.465 114.094 114.554 0.008 0.000 2.821 27 T HA -0.096 4.255 4.350 0.001 0.000 0.267 27 T C 1.823 176.528 174.700 0.007 0.000 1.046 27 T CA 1.117 63.222 62.100 0.007 0.000 1.139 27 T CB -0.194 68.677 68.868 0.007 0.000 0.871 27 T HN 0.409 nan 8.240 nan 0.000 0.454 28 A N 0.900 123.726 122.820 0.008 0.000 2.206 28 A HA 0.112 4.433 4.320 0.001 0.000 0.211 28 A C 0.957 178.546 177.584 0.009 0.000 1.158 28 A CA 0.095 52.137 52.037 0.008 0.000 0.761 28 A CB -0.186 18.820 19.000 0.009 0.000 0.801 28 A HN 0.265 nan 8.150 nan 0.000 0.473 29 R N -1.888 118.617 120.500 0.009 0.000 3.525 29 R HA -0.162 4.179 4.340 0.001 0.000 0.276 29 R C -0.535 175.771 176.300 0.010 0.000 1.116 29 R CA 0.964 57.069 56.100 0.009 0.000 0.745 29 R CB -2.779 27.526 30.300 0.008 0.000 1.185 29 R HN 0.647 nan 8.270 nan 0.000 0.454 30 M N 1.069 120.675 119.600 0.011 0.000 2.151 30 M HA 0.116 4.597 4.480 0.001 0.000 0.349 30 M C 0.968 177.276 176.300 0.014 0.000 1.284 30 M CA 0.204 55.511 55.300 0.011 0.000 1.173 30 M CB 1.039 33.646 32.600 0.012 0.000 1.469 30 M HN 0.052 nan 8.290 nan 0.000 0.439 31 Q N 4.743 124.551 119.800 0.013 0.000 2.337 31 Q HA 0.205 4.546 4.340 0.001 0.000 0.270 31 Q C -2.182 173.829 176.000 0.019 0.000 1.002 31 Q CA -1.345 54.468 55.803 0.015 0.000 0.888 31 Q CB 0.669 29.416 28.738 0.015 0.000 1.222 31 Q HN 0.297 nan 8.270 nan 0.000 0.400 32 P HA 0.104 nan 4.420 nan 0.000 0.269 32 P C -0.932 176.385 177.300 0.029 0.000 1.217 32 P CA 0.205 63.320 63.100 0.025 0.000 0.783 32 P CB 0.505 32.216 31.700 0.020 0.000 0.898 33 I N -0.219 120.374 120.570 0.037 0.000 2.913 33 I HA 0.162 4.333 4.170 0.001 0.000 0.302 33 I C 0.829 176.975 176.117 0.047 0.000 1.246 33 I CA -0.453 60.875 61.300 0.047 0.000 1.010 33 I CB 2.089 40.120 38.000 0.052 0.000 1.259 33 I HN 0.135 nan 8.210 nan 0.000 0.434 34 S N 1.860 117.591 115.700 0.052 0.000 2.406 34 S HA 0.004 4.475 4.470 0.001 0.000 0.228 34 S C -0.148 174.338 174.600 -0.190 0.000 1.020 34 S CA 1.062 59.243 58.200 -0.032 0.000 0.965 34 S CB -0.239 62.969 63.200 0.014 0.000 0.798 34 S HN 0.549 nan 8.310 nan 0.000 0.488 35 H N 0.215 119.279 119.070 -0.010 0.000 2.792 35 H HA 0.375 4.932 4.556 0.001 0.000 0.298 35 H C -0.223 175.176 175.328 0.119 0.000 1.042 35 H CA -0.707 55.335 56.048 -0.010 0.000 1.300 35 H CB 0.286 29.940 29.762 -0.180 0.000 1.431 35 H HN 0.299 nan 8.280 nan 0.000 0.496 36 H N 2.209 121.375 119.070 0.159 0.000 2.998 36 H HA -0.052 4.504 4.556 0.001 0.000 0.353 36 H C 1.030 176.418 175.328 0.101 0.000 1.099 36 H CA 0.080 56.180 56.048 0.086 0.000 1.393 36 H CB 0.914 30.688 29.762 0.021 0.000 1.343 36 H HN 0.677 nan 8.280 nan 0.000 0.609 37 L N 2.855 123.930 121.223 -0.246 0.000 2.051 37 L HA -0.260 4.081 4.340 0.001 0.000 0.214 37 L C 2.055 179.059 176.870 0.222 0.000 1.076 37 L CA 1.718 56.522 54.840 -0.060 0.000 0.758 37 L CB -0.502 41.405 42.059 -0.253 0.000 0.890 37 L HN 0.805 nan 8.230 nan 0.000 0.433 38 A N -2.199 120.824 122.820 0.338 0.000 2.415 38 A HA 0.021 4.342 4.320 0.001 0.000 0.248 38 A C 0.378 178.062 177.584 0.167 0.000 1.299 38 A CA -0.347 51.809 52.037 0.197 0.000 0.899 38 A CB -0.900 17.724 19.000 -0.628 0.000 0.997 38 A HN 0.435 nan 8.150 nan 0.000 0.506 39 H N 1.237 120.418 119.070 0.185 0.000 3.001 39 H HA 0.106 4.663 4.556 0.001 0.000 0.334 39 H C -1.244 174.172 175.328 0.145 0.000 1.034 39 H CA -0.361 55.768 56.048 0.136 0.000 1.420 39 H CB 1.048 30.939 29.762 0.215 0.000 1.405 39 H HN 0.110 nan 8.280 nan 0.000 0.593 40 P HA -0.132 nan 4.420 nan 0.000 0.225 40 P C 0.631 178.108 177.300 0.294 0.000 1.148 40 P CA 0.847 64.009 63.100 0.103 0.000 0.779 40 P CB 0.388 32.110 31.700 0.038 0.000 0.780 41 D N -0.256 120.446 120.400 0.504 0.000 2.158 41 D HA -0.127 4.514 4.640 0.001 0.000 0.197 41 D C 1.865 178.309 176.300 0.239 0.000 0.995 41 D CA 1.433 55.675 54.000 0.403 0.000 0.846 41 D CB -0.908 40.141 40.800 0.416 0.000 0.941 41 D HN 0.155 nan 8.370 nan 0.000 0.456 42 T N 0.620 115.307 114.554 0.221 0.000 2.652 42 T HA -0.151 4.200 4.350 0.001 0.000 0.267 42 T C 1.890 176.676 174.700 0.143 0.000 1.039 42 T CA 1.337 63.512 62.100 0.124 0.000 1.153 42 T CB -0.091 68.839 68.868 0.103 0.000 0.863 42 T HN 0.208 nan 8.240 nan 0.000 0.428 43 K N 0.459 120.983 120.400 0.206 0.000 2.103 43 K HA 0.044 4.365 4.320 0.001 0.000 0.204 43 K C 2.521 179.210 176.600 0.148 0.000 1.052 43 K CA 0.648 57.099 56.287 0.274 0.000 0.945 43 K CB -0.097 32.612 32.500 0.349 0.000 0.722 43 K HN 0.151 nan 8.250 nan 0.000 0.443 44 R N 1.463 122.069 120.500 0.177 0.000 2.091 44 R HA -0.117 4.224 4.340 0.001 0.000 0.238 44 R C 2.089 178.336 176.300 -0.088 0.000 1.136 44 R CA 1.463 57.551 56.100 -0.020 0.000 0.959 44 R CB 0.030 30.474 30.300 0.241 0.000 0.856 44 R HN 0.089 nan 8.270 nan 0.000 0.437 45 R N -0.579 119.927 120.500 0.010 0.000 2.120 45 R HA -0.147 4.194 4.340 0.001 0.000 0.234 45 R C 2.162 178.432 176.300 -0.051 0.000 1.123 45 R CA 1.353 57.434 56.100 -0.031 0.000 0.975 45 R CB -0.444 29.848 30.300 -0.013 0.000 0.866 45 R HN 0.221 nan 8.270 nan 0.000 0.446 46 F N 1.330 121.157 119.950 -0.206 0.000 2.069 46 F HA -0.242 4.286 4.527 0.001 0.000 0.298 46 F C 2.299 177.935 175.800 -0.273 0.000 1.113 46 F CA 2.068 59.915 58.000 -0.255 0.000 1.214 46 F CB -1.056 37.840 39.000 -0.175 0.000 0.978 46 F HN 0.065 nan 8.300 nan 0.000 0.474 47 H N 0.222 118.978 119.070 -0.522 0.000 2.319 47 H HA -0.136 4.421 4.556 0.001 0.000 0.299 47 H C 2.069 177.127 175.328 -0.451 0.000 1.092 47 H CA 2.509 58.136 56.048 -0.702 0.000 1.302 47 H CB -0.431 28.454 29.762 -1.463 0.000 1.373 47 H HN 0.476 nan 8.280 nan 0.000 0.497 48 E N -0.524 119.370 120.200 -0.511 0.000 2.150 48 E HA -0.124 4.226 4.350 0.001 0.000 0.193 48 E C 2.140 178.538 176.600 -0.338 0.000 0.985 48 E CA 0.867 57.012 56.400 -0.424 0.000 0.814 48 E CB -0.082 29.490 29.700 -0.213 0.000 0.752 48 E HN 0.353 nan 8.360 nan 0.000 0.466 49 L N 0.782 121.836 121.223 -0.282 0.000 2.056 49 L HA -0.137 4.204 4.340 0.001 0.000 0.207 49 L C 2.204 178.914 176.870 -0.266 0.000 1.078 49 L CA 1.264 55.945 54.840 -0.265 0.000 0.749 49 L CB -0.326 41.533 42.059 -0.333 0.000 0.901 49 L HN -0.076 nan 8.230 nan 0.000 0.433 50 V N -0.996 118.734 119.914 -0.307 0.000 2.324 50 V HA -0.399 3.722 4.120 0.001 0.000 0.250 50 V C 2.596 178.468 176.094 -0.369 0.000 1.060 50 V CA 2.014 64.095 62.300 -0.364 0.000 1.042 50 V CB -0.943 30.549 31.823 -0.552 0.000 0.650 50 V HN 0.635 nan 8.190 nan 0.000 0.450 51 C N -0.013 119.030 119.300 -0.429 0.000 2.489 51 C HA 0.044 4.505 4.460 0.001 0.000 0.279 51 C C 3.074 177.936 174.990 -0.212 0.000 1.266 51 C CA 0.567 59.391 59.018 -0.325 0.000 1.707 51 C CB -1.316 26.203 27.740 -0.369 0.000 2.059 51 C HN 0.614 nan 8.230 nan 0.000 0.481 52 A N 1.329 124.029 122.820 -0.199 0.000 2.015 52 A HA -0.121 4.200 4.320 0.001 0.000 0.219 52 A C 2.236 179.762 177.584 -0.097 0.000 1.163 52 A CA 2.018 53.979 52.037 -0.127 0.000 0.646 52 A CB -0.703 18.230 19.000 -0.112 0.000 0.806 52 A HN 0.721 nan 8.150 nan 0.000 0.448 53 S N -1.912 113.720 115.700 -0.113 0.000 2.481 53 S HA 0.299 4.770 4.470 0.001 0.000 0.231 53 S C 1.590 176.161 174.600 -0.048 0.000 0.996 53 S CA 1.247 59.404 58.200 -0.072 0.000 0.942 53 S CB -0.382 62.768 63.200 -0.085 0.000 0.768 53 S HN 1.885 nan 8.310 nan 0.000 0.520 54 G N 0.661 109.418 108.800 -0.073 0.000 2.175 54 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 54 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 54 G C 0.887 175.774 174.900 -0.021 0.000 0.982 54 G CA 0.360 45.428 45.100 -0.053 0.000 0.641 54 G HN 0.407 nan 8.290 nan 0.000 0.527 55 Q N -0.324 119.456 119.800 -0.034 0.000 2.181 55 Q HA -0.031 4.310 4.340 0.001 0.000 0.205 55 Q C 2.579 178.528 176.000 -0.085 0.000 0.980 55 Q CA 1.527 57.330 55.803 0.001 0.000 0.862 55 Q CB -0.207 28.465 28.738 -0.110 0.000 0.905 55 Q HN 0.741 nan 8.270 nan 0.000 0.429 56 I N 1.524 121.979 120.570 -0.193 0.000 2.361 56 I HA -0.228 3.942 4.170 0.001 0.000 0.251 56 I C 1.708 177.730 176.117 -0.158 0.000 1.133 56 I CA 1.378 62.545 61.300 -0.221 0.000 1.413 56 I CB -0.058 37.815 38.000 -0.211 0.000 1.073 56 I HN 0.166 nan 8.210 nan 0.000 0.424 57 E N -0.778 119.297 120.200 -0.208 0.000 2.268 57 E HA -0.182 4.169 4.350 0.001 0.000 0.195 57 E C 1.306 177.666 176.600 -0.400 0.000 0.995 57 E CA 0.802 57.020 56.400 -0.304 0.000 0.836 57 E CB -0.180 29.285 29.700 -0.391 0.000 0.763 57 E HN 0.674 nan 8.360 nan 0.000 0.491 58 H N -0.640 118.398 119.070 -0.052 0.000 2.551 58 H HA 0.203 4.760 4.556 0.001 0.000 0.271 58 H C 0.589 175.904 175.328 -0.021 0.000 0.984 58 H CA 0.237 56.266 56.048 -0.032 0.000 1.164 58 H CB 0.526 30.267 29.762 -0.035 0.000 1.437 58 H HN 0.052 nan 8.280 nan 0.000 0.550 59 L N 0.685 121.924 121.223 0.027 0.000 2.334 59 L HA 0.301 4.642 4.340 0.001 0.000 0.270 59 L C 0.247 177.156 176.870 0.066 0.000 1.018 59 L CA -0.572 54.295 54.840 0.045 0.000 0.811 59 L CB 1.771 43.810 42.059 -0.033 0.000 1.271 59 L HN -0.140 nan 8.230 nan 0.000 0.443 60 T N 2.157 116.778 114.554 0.110 0.000 2.853 60 T HA 0.308 4.659 4.350 0.001 0.000 0.317 60 T C -2.505 172.284 174.700 0.149 0.000 1.059 60 T CA -1.261 60.902 62.100 0.104 0.000 0.954 60 T CB 0.941 69.863 68.868 0.091 0.000 0.994 60 T HN 0.217 nan 8.240 nan 0.000 0.479 61 P HA 0.189 nan 4.420 nan 0.000 0.267 61 P C -0.669 176.693 177.300 0.103 0.000 1.209 61 P CA -0.323 62.882 63.100 0.176 0.000 0.763 61 P CB 0.338 32.127 31.700 0.148 0.000 0.816 62 I N 2.687 123.309 120.570 0.086 0.000 2.389 62 I HA 0.346 4.517 4.170 0.001 0.000 0.288 62 I C 0.551 176.661 176.117 -0.011 0.000 0.999 62 I CA -1.500 59.821 61.300 0.035 0.000 1.129 62 I CB 1.046 39.070 38.000 0.041 0.000 1.288 62 I HN 0.294 nan 8.210 nan 0.000 0.444 63 A N 5.391 128.192 122.820 -0.031 0.000 2.488 63 A HA 0.591 4.912 4.320 0.001 0.000 0.249 63 A C 0.679 178.210 177.584 -0.088 0.000 1.083 63 A CA -0.235 51.757 52.037 -0.076 0.000 0.768 63 A CB 0.172 19.128 19.000 -0.073 0.000 1.017 63 A HN 0.878 nan 8.150 nan 0.000 0.496 64 A N 2.428 125.170 122.820 -0.131 0.000 2.462 64 A HA 0.504 4.825 4.320 0.001 0.000 0.243 64 A C 0.098 177.617 177.584 -0.109 0.000 1.076 64 A CA -0.051 51.922 52.037 -0.108 0.000 0.773 64 A CB 0.083 19.004 19.000 -0.131 0.000 1.010 64 A HN 1.100 nan 8.150 nan 0.000 0.493 65 V N 1.512 121.374 119.914 -0.086 0.000 2.628 65 V HA 0.572 4.693 4.120 0.001 0.000 0.306 65 V C 0.725 176.776 176.094 -0.072 0.000 1.045 65 V CA -0.375 61.876 62.300 -0.082 0.000 0.905 65 V CB 1.619 33.395 31.823 -0.079 0.000 0.997 65 V HN 1.222 nan 8.190 nan 0.000 0.436 66 A N 3.569 126.349 122.820 -0.067 0.000 2.522 66 A HA 0.596 4.917 4.320 0.001 0.000 0.256 66 A C 0.804 178.355 177.584 -0.053 0.000 1.086 66 A CA 0.363 52.369 52.037 -0.051 0.000 0.763 66 A CB -0.147 18.824 19.000 -0.048 0.000 1.024 66 A HN 1.483 nan 8.150 nan 0.000 0.502 67 A N 3.868 126.656 122.820 -0.053 0.000 2.546 67 A HA 0.463 4.784 4.320 0.001 0.000 0.243 67 A C 1.130 178.665 177.584 -0.081 0.000 1.063 67 A CA 0.588 52.581 52.037 -0.075 0.000 0.757 67 A CB -0.515 18.431 19.000 -0.091 0.000 0.991 67 A HN 1.491 nan 8.150 nan 0.000 0.503 68 T N 0.364 114.879 114.554 -0.066 0.000 2.816 68 T HA 0.259 4.610 4.350 0.001 0.000 0.282 68 T C 0.568 175.217 174.700 -0.086 0.000 0.993 68 T CA 0.058 62.123 62.100 -0.058 0.000 0.994 68 T CB 0.538 69.389 68.868 -0.027 0.000 1.025 68 T HN 0.529 nan 8.240 nan 0.000 0.529 69 D N 0.908 121.264 120.400 -0.074 0.000 2.116 69 D HA -0.123 4.518 4.640 0.001 0.000 0.193 69 D C 2.373 178.634 176.300 -0.066 0.000 0.998 69 D CA 1.928 55.877 54.000 -0.085 0.000 0.836 69 D CB -0.920 39.848 40.800 -0.055 0.000 0.951 69 D HN 0.749 nan 8.370 nan 0.000 0.449 70 A N 1.209 124.010 122.820 -0.032 0.000 1.892 70 A HA -0.238 4.083 4.320 0.001 0.000 0.218 70 A C 1.878 179.464 177.584 0.003 0.000 1.188 70 A CA 2.066 54.100 52.037 -0.006 0.000 0.631 70 A CB -0.550 18.457 19.000 0.013 0.000 0.822 70 A HN 0.092 nan 8.150 nan 0.000 0.447 71 D N -0.052 120.348 120.400 -0.000 0.000 2.092 71 D HA -0.135 4.506 4.640 0.001 0.000 0.193 71 D C 1.899 178.186 176.300 -0.020 0.000 0.994 71 D CA 1.470 55.483 54.000 0.022 0.000 0.828 71 D CB -0.411 40.386 40.800 -0.005 0.000 0.963 71 D HN 0.537 nan 8.370 nan 0.000 0.450 72 I N 0.700 121.200 120.570 -0.118 0.000 2.226 72 I HA -0.227 3.944 4.170 0.001 0.000 0.245 72 I C 2.314 178.397 176.117 -0.057 0.000 1.100 72 I CA 0.680 61.866 61.300 -0.190 0.000 1.374 72 I CB -0.153 37.538 38.000 -0.515 0.000 1.057 72 I HN -0.047 nan 8.210 nan 0.000 0.413 73 L N 0.219 121.414 121.223 -0.046 0.000 2.456 73 L HA -0.100 4.241 4.340 0.001 0.000 0.224 73 L C 2.453 179.334 176.870 0.019 0.000 1.148 73 L CA 0.720 55.556 54.840 -0.006 0.000 0.825 73 L CB -0.520 41.536 42.059 -0.005 0.000 0.937 73 L HN 0.194 nan 8.230 nan 0.000 0.450 74 R N -0.073 120.442 120.500 0.024 0.000 2.237 74 R HA -0.044 4.297 4.340 0.001 0.000 0.219 74 R C 1.888 178.177 176.300 -0.017 0.000 1.080 74 R CA 1.127 57.253 56.100 0.043 0.000 0.995 74 R CB -0.091 30.268 30.300 0.098 0.000 0.875 74 R HN 0.354 nan 8.270 nan 0.000 0.462 75 A N -0.569 122.203 122.820 -0.081 0.000 2.138 75 A HA 0.172 4.493 4.320 0.001 0.000 0.203 75 A C 0.055 177.372 177.584 -0.444 0.000 1.286 75 A CA 0.012 51.867 52.037 -0.302 0.000 0.929 75 A CB 0.336 19.148 19.000 -0.313 0.000 0.975 75 A HN 0.205 nan 8.150 nan 0.000 0.480 76 H N -0.475 118.531 119.070 -0.106 0.000 2.797 76 H HA 0.524 5.081 4.556 0.002 0.000 0.372 76 H C 0.171 175.189 175.328 -0.517 0.000 1.168 76 H CA -0.044 55.796 56.048 -0.347 0.000 1.163 76 H CB 1.667 31.434 29.762 0.008 0.000 1.778 76 H HN 0.253 nan 8.280 nan 0.000 0.551 77 S N 0.603 115.942 115.700 -0.601 0.000 2.576 77 S HA 0.259 4.730 4.470 0.001 0.000 0.276 77 S C 1.440 176.020 174.600 -0.033 0.000 1.339 77 S CA -0.271 57.766 58.200 -0.272 0.000 1.039 77 S CB 1.343 64.449 63.200 -0.156 0.000 0.902 77 S HN 0.830 nan 8.310 nan 0.000 0.516 78 A N 3.080 125.905 122.820 0.008 0.000 1.948 78 A HA 0.033 4.354 4.320 0.001 0.000 0.220 78 A C 2.431 180.025 177.584 0.018 0.000 1.177 78 A CA 2.039 54.083 52.037 0.012 0.000 0.636 78 A CB -1.698 17.312 19.000 0.017 0.000 0.815 78 A HN 1.447 nan 8.150 nan 0.000 0.449 79 A N -0.963 121.877 122.820 0.033 0.000 1.908 79 A HA -0.207 4.114 4.320 0.001 0.000 0.218 79 A C 2.054 179.678 177.584 0.067 0.000 1.181 79 A CA 2.256 54.319 52.037 0.042 0.000 0.627 79 A CB -0.850 18.178 19.000 0.047 0.000 0.818 79 A HN 0.791 nan 8.150 nan 0.000 0.445 80 H N -0.598 118.463 119.070 -0.015 0.000 2.326 80 H HA -0.063 4.494 4.556 0.001 0.000 0.301 80 H C 1.774 177.130 175.328 0.046 0.000 1.081 80 H CA 1.689 57.734 56.048 -0.004 0.000 1.334 80 H CB -0.415 29.333 29.762 -0.024 0.000 1.385 80 H HN 0.282 nan 8.280 nan 0.000 0.504 81 L N 0.874 122.046 121.223 -0.086 0.000 1.990 81 L HA -0.167 4.174 4.340 0.001 0.000 0.213 81 L C 2.181 179.010 176.870 -0.068 0.000 1.072 81 L CA 2.044 56.831 54.840 -0.088 0.000 0.755 81 L CB -0.883 41.134 42.059 -0.070 0.000 0.889 81 L HN 0.296 nan 8.230 nan 0.000 0.432 82 E N -0.142 120.035 120.200 -0.039 0.000 2.086 82 E HA -0.300 4.051 4.350 0.001 0.000 0.200 82 E C 2.131 178.710 176.600 -0.035 0.000 1.012 82 E CA 1.635 58.020 56.400 -0.026 0.000 0.812 82 E CB -0.564 29.131 29.700 -0.009 0.000 0.743 82 E HN 0.590 nan 8.360 nan 0.000 0.453 83 N N -0.051 118.624 118.700 -0.041 0.000 2.120 83 N HA -0.128 4.613 4.740 0.001 0.000 0.188 83 N C 1.650 177.114 175.510 -0.076 0.000 1.024 83 N CA 1.218 54.245 53.050 -0.038 0.000 0.852 83 N CB -0.079 38.411 38.487 0.006 0.000 1.003 83 N HN 0.047 nan 8.380 nan 0.000 0.424 84 M N 0.489 119.996 119.600 -0.155 0.000 2.229 84 M HA -0.034 4.447 4.480 0.001 0.000 0.264 84 M C 1.791 178.046 176.300 -0.076 0.000 1.063 84 M CA 1.101 56.302 55.300 -0.166 0.000 1.114 84 M CB -0.773 31.651 32.600 -0.294 0.000 1.387 84 M HN 0.158 nan 8.290 nan 0.000 0.420 85 K N -0.198 120.178 120.400 -0.041 0.000 2.032 85 K HA -0.175 4.146 4.320 0.001 0.000 0.209 85 K C 2.224 178.809 176.600 -0.025 0.000 1.048 85 K CA 1.329 57.604 56.287 -0.020 0.000 0.927 85 K CB -0.222 32.270 32.500 -0.014 0.000 0.712 85 K HN 0.229 nan 8.250 nan 0.000 0.441 86 R N 0.879 121.362 120.500 -0.029 0.000 2.082 86 R HA -0.163 4.178 4.340 0.001 0.000 0.234 86 R C 2.166 178.451 176.300 -0.025 0.000 1.136 86 R CA 1.769 57.855 56.100 -0.023 0.000 0.935 86 R CB -0.368 29.920 30.300 -0.019 0.000 0.842 86 R HN 0.010 nan 8.270 nan 0.000 0.430 87 V N 0.127 120.020 119.914 -0.034 0.000 2.343 87 V HA -0.220 3.901 4.120 0.001 0.000 0.247 87 V C 2.363 178.436 176.094 -0.035 0.000 1.051 87 V CA 2.098 64.377 62.300 -0.034 0.000 1.036 87 V CB -0.449 31.348 31.823 -0.044 0.000 0.654 87 V HN 0.454 nan 8.190 nan 0.000 0.451 88 S N -0.223 115.453 115.700 -0.040 0.000 2.423 88 S HA -0.167 4.304 4.470 0.001 0.000 0.231 88 S C 1.696 176.283 174.600 -0.021 0.000 1.014 88 S CA 1.745 59.926 58.200 -0.032 0.000 0.965 88 S CB -0.612 62.570 63.200 -0.031 0.000 0.785 88 S HN 0.736 nan 8.310 nan 0.000 0.495 89 N N 0.064 118.752 118.700 -0.019 0.000 2.467 89 N HA 0.187 4.928 4.740 0.001 0.000 0.184 89 N C -0.317 175.186 175.510 -0.012 0.000 1.106 89 N CA -0.156 52.886 53.050 -0.014 0.000 0.892 89 N CB 0.013 38.493 38.487 -0.012 0.000 0.969 89 N HN 0.377 nan 8.380 nan 0.000 0.454 90 L N 1.525 122.739 121.223 -0.014 0.000 2.490 90 L HA 0.024 4.365 4.340 0.001 0.000 0.274 90 L C -1.207 175.657 176.870 -0.011 0.000 1.201 90 L CA -1.202 53.630 54.840 -0.012 0.000 0.869 90 L CB 0.296 42.347 42.059 -0.013 0.000 1.123 90 L HN -0.108 nan 8.230 nan 0.000 0.484 91 P HA -0.232 nan 4.420 nan 0.000 0.219 91 P C 1.140 178.434 177.300 -0.009 0.000 1.158 91 P CA 1.973 65.068 63.100 -0.008 0.000 0.895 91 P CB 0.085 31.781 31.700 -0.007 0.000 0.792 92 T N -6.772 107.775 114.554 -0.010 0.000 3.040 92 T HA 0.544 4.895 4.350 0.001 0.000 0.266 92 T C 1.084 175.775 174.700 -0.016 0.000 1.005 92 T CA 0.239 62.331 62.100 -0.012 0.000 0.906 92 T CB 0.130 68.991 68.868 -0.012 0.000 1.082 92 T HN 0.345 nan 8.240 nan 0.000 0.531 93 G N 0.975 109.765 108.800 -0.016 0.000 2.514 93 G HA2 0.300 4.261 3.960 0.001 0.000 0.265 93 G HA3 0.300 4.261 3.960 0.001 0.000 0.265 93 G C 0.303 175.191 174.900 -0.020 0.000 1.150 93 G CA -0.100 44.987 45.100 -0.021 0.000 0.959 93 G HN 1.949 nan 8.290 nan 0.000 0.556 94 G N -1.261 107.525 108.800 -0.024 0.000 2.325 94 G HA2 0.464 4.425 3.960 0.001 0.000 0.285 94 G HA3 0.464 4.425 3.960 0.001 0.000 0.285 94 G C -1.106 173.783 174.900 -0.019 0.000 1.303 94 G CA 0.694 45.782 45.100 -0.019 0.000 0.970 94 G HN 1.424 nan 8.290 nan 0.000 0.490 95 D N 0.029 120.423 120.400 -0.009 0.000 2.345 95 D HA 0.377 5.018 4.640 0.001 0.000 0.247 95 D C 1.702 177.999 176.300 -0.005 0.000 1.108 95 D CA 0.650 54.649 54.000 -0.002 0.000 0.894 95 D CB 1.282 42.088 40.800 0.011 0.000 1.203 95 D HN 0.631 nan 8.370 nan 0.000 0.430 96 T N 0.236 114.788 114.554 -0.004 0.000 3.086 96 T HA 0.384 4.735 4.350 0.001 0.000 0.250 96 T C 1.093 175.796 174.700 0.005 0.000 1.074 96 T CA 0.521 62.616 62.100 -0.008 0.000 0.988 96 T CB 0.571 69.427 68.868 -0.020 0.000 0.988 96 T HN 0.590 nan 8.240 nan 0.000 0.530 97 G N 2.274 111.078 108.800 0.007 0.000 4.332 97 G HA2 -0.106 3.855 3.960 0.001 0.000 0.198 97 G HA3 -0.106 3.855 3.960 0.001 0.000 0.198 97 G C 0.526 175.429 174.900 0.006 0.000 1.460 97 G CA 0.355 45.459 45.100 0.005 0.000 0.900 97 G HN 0.509 nan 8.290 nan 0.000 0.325 98 D N 1.540 121.945 120.400 0.009 0.000 2.339 98 D HA 0.357 4.998 4.640 0.001 0.000 0.217 98 D C 1.789 178.102 176.300 0.022 0.000 1.050 98 D CA 0.990 54.997 54.000 0.012 0.000 0.856 98 D CB -0.149 40.658 40.800 0.012 0.000 0.922 98 D HN 1.673 nan 8.370 nan 0.000 0.518 99 G N 0.250 109.067 108.800 0.028 0.000 2.199 99 G HA2 -0.295 3.666 3.960 0.001 0.000 0.254 99 G HA3 -0.295 3.666 3.960 0.001 0.000 0.254 99 G C 0.773 175.712 174.900 0.065 0.000 0.982 99 G CA 0.507 45.629 45.100 0.038 0.000 0.632 99 G HN 0.335 nan 8.290 nan 0.000 0.529 100 I N 1.286 121.904 120.570 0.080 0.000 2.900 100 I HA 0.180 4.351 4.170 0.001 0.000 0.251 100 I C 1.575 177.785 176.117 0.154 0.000 1.102 100 I CA 1.191 62.592 61.300 0.169 0.000 1.457 100 I CB -1.477 36.659 38.000 0.227 0.000 1.285 100 I HN 0.078 nan 8.210 nan 0.000 0.459 101 T N 5.629 120.259 114.554 0.127 0.000 2.754 101 T HA 0.292 4.643 4.350 0.001 0.000 0.282 101 T C 0.293 175.017 174.700 0.041 0.000 0.923 101 T CA 0.064 62.236 62.100 0.120 0.000 1.164 101 T CB -0.674 68.246 68.868 0.087 0.000 0.873 101 T HN 0.233 nan 8.240 nan 0.000 0.537 102 M N 2.587 122.193 119.600 0.009 0.000 2.724 102 M HA 0.821 5.302 4.480 0.001 0.000 0.310 102 M C -0.810 175.460 176.300 -0.051 0.000 1.217 102 M CA -1.093 54.190 55.300 -0.028 0.000 0.894 102 M CB 2.306 34.881 32.600 -0.042 0.000 1.719 102 M HN 0.397 nan 8.290 nan 0.000 0.479 103 M N 1.032 120.600 119.600 -0.053 0.000 2.501 103 M HA 0.651 5.132 4.480 0.001 0.000 0.293 103 M C -0.397 175.876 176.300 -0.045 0.000 1.192 103 M CA -0.370 54.896 55.300 -0.058 0.000 0.886 103 M CB 2.605 35.162 32.600 -0.072 0.000 1.710 103 M HN 1.027 nan 8.290 nan 0.000 0.457 104 G N 1.568 110.346 108.800 -0.037 0.000 2.599 104 G HA2 0.133 4.094 3.960 0.001 0.000 0.264 104 G HA3 0.133 4.094 3.960 0.001 0.000 0.264 104 G C -0.496 174.392 174.900 -0.020 0.000 1.200 104 G CA -0.523 44.562 45.100 -0.025 0.000 0.896 104 G HN 0.843 nan 8.290 nan 0.000 0.536 105 N N -0.467 118.224 118.700 -0.014 0.000 2.411 105 N HA 0.318 5.059 4.740 0.001 0.000 0.261 105 N C 1.409 176.916 175.510 -0.005 0.000 1.248 105 N CA 1.638 54.682 53.050 -0.010 0.000 0.885 105 N CB 0.331 38.814 38.487 -0.007 0.000 1.062 105 N HN 1.154 nan 8.380 nan 0.000 0.471 106 G N 1.947 110.742 108.800 -0.008 0.000 2.168 106 G HA2 -0.268 3.693 3.960 0.001 0.000 0.263 106 G HA3 -0.268 3.693 3.960 0.001 0.000 0.263 106 G C 0.987 175.884 174.900 -0.005 0.000 0.977 106 G CA 0.521 45.618 45.100 -0.005 0.000 0.659 106 G HN 0.896 nan 8.290 nan 0.000 0.533 107 G N 0.046 108.838 108.800 -0.012 0.000 2.498 107 G HA2 0.095 4.056 3.960 0.001 0.000 0.219 107 G HA3 0.095 4.056 3.960 0.001 0.000 0.219 107 G C 1.668 176.555 174.900 -0.022 0.000 1.119 107 G CA 1.412 46.502 45.100 -0.017 0.000 0.766 107 G HN 0.935 nan 8.290 nan 0.000 0.552 108 L N 0.936 122.148 121.223 -0.018 0.000 2.081 108 L HA -0.093 4.248 4.340 0.001 0.000 0.212 108 L C 2.541 179.436 176.870 0.042 0.000 1.080 108 L CA 2.518 57.367 54.840 0.014 0.000 0.754 108 L CB -0.544 41.532 42.059 0.028 0.000 0.893 108 L HN 0.475 nan 8.230 nan 0.000 0.433 109 E N -0.351 119.856 120.200 0.011 0.000 2.097 109 E HA -0.266 4.085 4.350 0.001 0.000 0.196 109 E C 2.149 178.748 176.600 -0.002 0.000 1.000 109 E CA 2.165 58.562 56.400 -0.005 0.000 0.804 109 E CB -0.245 29.437 29.700 -0.031 0.000 0.740 109 E HN 0.681 nan 8.360 nan 0.000 0.454 110 I N 0.635 121.206 120.570 0.001 0.000 2.286 110 I HA -0.170 4.001 4.170 0.001 0.000 0.245 110 I C 2.649 178.806 176.117 0.066 0.000 1.104 110 I CA 0.808 62.120 61.300 0.020 0.000 1.397 110 I CB -0.427 37.584 38.000 0.018 0.000 1.072 110 I HN 0.155 nan 8.210 nan 0.000 0.417 111 A N 1.215 124.068 122.820 0.055 0.000 1.902 111 A HA -0.198 4.123 4.320 0.001 0.000 0.217 111 A C 2.439 180.170 177.584 0.245 0.000 1.181 111 A CA 1.466 53.566 52.037 0.104 0.000 0.623 111 A CB -0.587 18.389 19.000 -0.040 0.000 0.818 111 A HN 0.308 nan 8.150 nan 0.000 0.443 112 R N -0.730 119.892 120.500 0.205 0.000 2.091 112 R HA -0.073 4.268 4.340 0.001 0.000 0.238 112 R C 2.016 178.357 176.300 0.068 0.000 1.136 112 R CA 1.541 57.712 56.100 0.117 0.000 0.959 112 R CB -0.509 29.822 30.300 0.052 0.000 0.856 112 R HN 0.517 nan 8.270 nan 0.000 0.437 113 L N -0.082 121.182 121.223 0.067 0.000 2.141 113 L HA -0.135 4.206 4.340 0.001 0.000 0.209 113 L C 2.640 179.636 176.870 0.210 0.000 1.094 113 L CA 0.860 55.743 54.840 0.072 0.000 0.763 113 L CB -0.329 41.719 42.059 -0.018 0.000 0.908 113 L HN 0.199 nan 8.230 nan 0.000 0.437 114 S N -0.166 115.646 115.700 0.188 0.000 2.345 114 S HA -0.166 4.305 4.470 0.001 0.000 0.220 114 S C 2.173 176.772 174.600 -0.002 0.000 1.031 114 S CA 1.278 59.464 58.200 -0.025 0.000 0.996 114 S CB -0.086 63.038 63.200 -0.128 0.000 0.882 114 S HN 0.423 nan 8.310 nan 0.000 0.445 115 A N 0.780 123.640 122.820 0.067 0.000 1.902 115 A HA 0.111 4.432 4.320 0.001 0.000 0.217 115 A C 2.349 179.932 177.584 -0.002 0.000 1.181 115 A CA 1.845 53.916 52.037 0.056 0.000 0.623 115 A CB -1.622 17.436 19.000 0.096 0.000 0.818 115 A HN 0.646 nan 8.150 nan 0.000 0.443 116 G N -0.795 108.000 108.800 -0.008 0.000 2.443 116 G HA2 0.082 4.043 3.960 0.001 0.000 0.219 116 G HA3 0.082 4.043 3.960 0.001 0.000 0.219 116 G C 1.459 176.327 174.900 -0.053 0.000 1.131 116 G CA 1.204 46.272 45.100 -0.054 0.000 0.775 116 G HN 0.697 nan 8.290 nan 0.000 0.547 117 G N 1.240 110.042 108.800 0.003 0.000 2.446 117 G HA2 0.002 3.963 3.960 0.001 0.000 0.217 117 G HA3 0.002 3.963 3.960 0.001 0.000 0.217 117 G C 2.047 176.929 174.900 -0.030 0.000 1.168 117 G CA 1.558 46.669 45.100 0.018 0.000 0.771 117 G HN 0.600 nan 8.290 nan 0.000 0.551 118 A N 0.000 122.794 122.820 -0.043 0.000 1.902 118 A HA 0.090 4.411 4.320 0.001 0.000 0.217 118 A C 2.624 180.160 177.584 -0.080 0.000 1.181 118 A CA 1.870 53.873 52.037 -0.057 0.000 0.623 118 A CB -0.640 18.332 19.000 -0.048 0.000 0.818 118 A HN 0.266 nan 8.150 nan 0.000 0.443 119 V N 0.112 119.953 119.914 -0.122 0.000 2.295 119 V HA -0.215 3.906 4.120 0.001 0.000 0.246 119 V C 2.630 178.545 176.094 -0.299 0.000 1.049 119 V CA 2.136 64.278 62.300 -0.263 0.000 1.024 119 V CB -0.724 30.881 31.823 -0.364 0.000 0.648 119 V HN 0.494 nan 8.190 nan 0.000 0.447 120 E N -0.155 119.923 120.200 -0.203 0.000 2.085 120 E HA -0.220 4.131 4.350 0.001 0.000 0.194 120 E C 2.108 178.660 176.600 -0.080 0.000 0.994 120 E CA 1.256 57.569 56.400 -0.146 0.000 0.801 120 E CB -0.450 29.194 29.700 -0.094 0.000 0.743 120 E HN 0.444 nan 8.360 nan 0.000 0.453 121 L N 0.889 122.082 121.223 -0.051 0.000 2.046 121 L HA -0.126 4.215 4.340 0.001 0.000 0.208 121 L C 2.220 179.091 176.870 0.001 0.000 1.077 121 L CA 1.784 56.621 54.840 -0.005 0.000 0.747 121 L CB -0.824 41.242 42.059 0.013 0.000 0.896 121 L HN 0.049 nan 8.230 nan 0.000 0.432 122 T N -0.486 114.054 114.554 -0.023 0.000 2.708 122 T HA -0.237 4.114 4.350 0.001 0.000 0.266 122 T C 1.986 176.719 174.700 0.056 0.000 1.037 122 T CA 1.673 63.780 62.100 0.012 0.000 1.146 122 T CB -0.265 68.613 68.868 0.016 0.000 0.865 122 T HN 0.350 nan 8.240 nan 0.000 0.435 123 R N 0.914 121.431 120.500 0.027 0.000 2.083 123 R HA -0.078 4.263 4.340 0.001 0.000 0.237 123 R C 2.454 178.805 176.300 0.084 0.000 1.137 123 R CA 1.479 57.653 56.100 0.124 0.000 0.951 123 R CB -0.067 30.260 30.300 0.044 0.000 0.851 123 R HN 0.322 nan 8.270 nan 0.000 0.434 124 R N -0.325 120.202 120.500 0.044 0.000 2.153 124 R HA 0.005 4.346 4.340 0.001 0.000 0.218 124 R C 2.208 178.538 176.300 0.051 0.000 1.072 124 R CA 0.855 56.982 56.100 0.045 0.000 0.990 124 R CB 0.071 30.393 30.300 0.036 0.000 0.889 124 R HN 0.130 nan 8.270 nan 0.000 0.452 125 V N 1.028 120.974 119.914 0.053 0.000 2.379 125 V HA -0.162 3.958 4.120 0.001 0.000 0.245 125 V C 2.426 178.549 176.094 0.049 0.000 1.044 125 V CA 1.883 64.216 62.300 0.055 0.000 1.036 125 V CB -0.458 31.398 31.823 0.055 0.000 0.664 125 V HN 0.338 nan 8.190 nan 0.000 0.453 126 A N 0.758 123.611 122.820 0.055 0.000 1.933 126 A HA -0.220 4.101 4.320 0.001 0.000 0.218 126 A C 2.439 180.048 177.584 0.042 0.000 1.175 126 A CA 2.319 54.386 52.037 0.049 0.000 0.628 126 A CB -0.969 18.070 19.000 0.064 0.000 0.814 126 A HN 0.623 nan 8.150 nan 0.000 0.444 127 T N -3.779 110.804 114.554 0.049 0.000 3.051 127 T HA 0.290 4.640 4.350 0.001 0.000 0.269 127 T C 1.509 176.229 174.700 0.033 0.000 1.127 127 T CA 1.268 63.392 62.100 0.039 0.000 1.107 127 T CB -0.447 68.446 68.868 0.043 0.000 0.898 127 T HN 1.778 nan 8.240 nan 0.000 0.517 128 G N 1.082 109.904 108.800 0.036 0.000 2.184 128 G HA2 -0.344 3.617 3.960 0.001 0.000 0.264 128 G HA3 -0.344 3.617 3.960 0.001 0.000 0.264 128 G C 0.573 175.496 174.900 0.038 0.000 0.975 128 G CA 0.683 45.805 45.100 0.035 0.000 0.642 128 G HN 0.628 nan 8.290 nan 0.000 0.536 129 E N -0.539 119.685 120.200 0.039 0.000 2.077 129 E HA 0.010 4.361 4.350 0.001 0.000 0.193 129 E C 1.048 177.677 176.600 0.048 0.000 0.989 129 E CA 0.789 57.214 56.400 0.040 0.000 0.800 129 E CB -0.057 29.667 29.700 0.039 0.000 0.746 129 E HN 0.633 nan 8.360 nan 0.000 0.452 130 L N -0.058 121.198 121.223 0.055 0.000 2.333 130 L HA 0.200 4.541 4.340 0.001 0.000 0.269 130 L C 1.277 178.189 176.870 0.069 0.000 1.010 130 L CA -0.360 54.520 54.840 0.067 0.000 0.818 130 L CB 1.917 44.023 42.059 0.078 0.000 1.306 130 L HN -0.006 nan 8.230 nan 0.000 0.430 131 S N 0.267 116.014 115.700 0.078 0.000 2.439 131 S HA 0.416 4.887 4.470 0.001 0.000 0.224 131 S C 0.525 175.183 174.600 0.097 0.000 1.029 131 S CA 0.360 58.607 58.200 0.079 0.000 0.946 131 S CB 0.308 63.554 63.200 0.078 0.000 0.797 131 S HN 0.771 nan 8.310 nan 0.000 0.504 132 A N -0.778 122.114 122.820 0.121 0.000 2.511 132 A HA 0.805 5.126 4.320 0.001 0.000 0.293 132 A C -0.347 177.348 177.584 0.185 0.000 1.098 132 A CA -0.389 51.743 52.037 0.160 0.000 0.643 132 A CB 0.665 19.787 19.000 0.204 0.000 1.302 132 A HN 1.214 nan 8.150 nan 0.000 0.446 133 G N -1.762 107.183 108.800 0.243 0.000 2.559 133 G HA2 0.568 4.529 3.960 0.001 0.000 0.291 133 G HA3 0.568 4.529 3.960 0.001 0.000 0.291 133 G C -2.287 172.834 174.900 0.369 0.000 1.424 133 G CA -0.356 44.907 45.100 0.272 0.000 0.786 133 G HN 1.399 nan 8.290 nan 0.000 0.485 134 Y N 0.570 121.032 120.300 0.270 0.000 2.338 134 Y HA 0.605 5.156 4.550 0.001 0.000 0.333 134 Y C 0.071 176.072 175.900 0.168 0.000 0.968 134 Y CA -0.697 57.573 58.100 0.283 0.000 1.123 134 Y CB 1.994 40.636 38.460 0.302 0.000 1.165 134 Y HN 0.807 nan 8.280 nan 0.000 0.452 135 A N 7.326 130.196 122.820 0.083 0.000 2.280 135 A HA 0.343 4.664 4.320 0.001 0.000 0.320 135 A C -0.807 176.857 177.584 0.133 0.000 1.366 135 A CA -0.608 51.465 52.037 0.060 0.000 0.938 135 A CB 0.010 18.995 19.000 -0.025 0.000 1.157 135 A HN 0.911 nan 8.150 nan 0.000 0.536 136 L N 5.214 126.561 121.223 0.207 0.000 2.437 136 L HA 0.213 4.554 4.340 0.001 0.000 0.243 136 L C 0.226 177.159 176.870 0.105 0.000 1.346 136 L CA -0.335 54.678 54.840 0.289 0.000 1.233 136 L CB -0.387 41.782 42.059 0.184 0.000 1.436 136 L HN 0.654 nan 8.230 nan 0.000 0.416 137 V N 0.281 120.087 119.914 -0.180 0.000 3.134 137 V HA 0.638 4.759 4.120 0.001 0.000 0.313 137 V C -0.313 175.427 176.094 -0.590 0.000 1.069 137 V CA -0.703 61.106 62.300 -0.818 0.000 1.048 137 V CB 1.851 33.323 31.823 -0.585 0.000 1.119 137 V HN 0.672 nan 8.190 nan 0.000 0.461 138 N N 1.195 119.389 118.700 -0.844 0.000 2.635 138 N HA 0.509 5.250 4.740 0.001 0.000 0.260 138 N C -3.236 172.128 175.510 -0.244 0.000 1.078 138 N CA -0.959 51.906 53.050 -0.309 0.000 1.012 138 N CB 2.750 41.178 38.487 -0.097 0.000 1.677 138 N HN 0.649 nan 8.380 nan 0.000 0.514 139 P HA 0.337 nan 4.420 nan 0.000 0.274 139 P C -2.717 174.572 177.300 -0.019 0.000 1.246 139 P CA -0.855 62.227 63.100 -0.030 0.000 0.795 139 P CB 0.373 32.070 31.700 -0.005 0.000 1.006 140 P HA 0.152 nan 4.420 nan 0.000 0.289 140 P C 0.427 177.789 177.300 0.103 0.000 1.299 140 P CA 0.110 63.252 63.100 0.071 0.000 0.766 140 P CB 0.493 32.283 31.700 0.150 0.000 1.226 141 G N -1.602 107.264 108.800 0.110 0.000 2.597 141 G HA2 -0.030 3.931 3.960 0.001 0.000 0.196 141 G HA3 -0.030 3.931 3.960 0.001 0.000 0.196 141 G C 1.133 176.146 174.900 0.188 0.000 1.176 141 G CA 0.348 45.538 45.100 0.150 0.000 0.747 141 G HN 0.726 nan 8.290 nan 0.000 0.821 142 H N -1.430 117.601 119.070 -0.065 0.000 2.524 142 H HA 0.154 4.710 4.556 0.001 0.000 0.282 142 H C 1.883 177.135 175.328 -0.127 0.000 1.016 142 H CA 0.833 56.815 56.048 -0.109 0.000 1.270 142 H CB -0.096 29.572 29.762 -0.158 0.000 1.394 142 H HN 0.273 nan 8.280 nan 0.000 0.568 143 H N 1.129 120.152 119.070 -0.079 0.000 2.535 143 H HA 0.309 4.866 4.556 0.002 0.000 0.273 143 H C 0.835 176.129 175.328 -0.057 0.000 0.983 143 H CA 0.533 56.490 56.048 -0.152 0.000 1.238 143 H CB -0.062 29.662 29.762 -0.064 0.000 1.412 143 H HN 0.507 nan 8.280 nan 0.000 0.562 144 A N 4.371 127.267 122.820 0.126 0.000 2.438 144 A HA 0.231 4.552 4.320 0.001 0.000 0.280 144 A C -1.914 175.741 177.584 0.119 0.000 1.160 144 A CA -1.059 51.037 52.037 0.098 0.000 0.821 144 A CB 0.230 19.316 19.000 0.144 0.000 1.101 144 A HN 0.099 nan 8.150 nan 0.000 0.515 145 P HA 0.106 nan 4.420 nan 0.000 0.302 145 P C 0.555 177.887 177.300 0.052 0.000 1.307 145 P CA -0.187 62.915 63.100 0.002 0.000 0.754 145 P CB 0.619 32.290 31.700 -0.049 0.000 1.298 146 H N -0.289 118.732 119.070 -0.082 0.000 2.352 146 H HA -0.107 4.450 4.556 0.002 0.000 0.299 146 H C 1.305 176.679 175.328 0.077 0.000 1.097 146 H CA 2.181 58.188 56.048 -0.068 0.000 1.311 146 H CB -0.126 29.561 29.762 -0.126 0.000 1.377 146 H HN 0.362 nan 8.280 nan 0.000 0.504 147 N N -0.311 118.372 118.700 -0.029 0.000 2.338 147 N HA 0.331 5.071 4.740 0.001 0.000 0.251 147 N C -1.184 174.210 175.510 -0.194 0.000 1.199 147 N CA 0.405 53.407 53.050 -0.079 0.000 0.879 147 N CB 0.442 38.943 38.487 0.023 0.000 1.159 147 N HN 0.362 nan 8.380 nan 0.000 0.514 148 A N -0.107 122.425 122.820 -0.480 0.000 2.601 148 A HA 0.720 5.041 4.320 0.001 0.000 0.291 148 A C -1.479 175.691 177.584 -0.688 0.000 1.075 148 A CA -0.587 51.148 52.037 -0.503 0.000 0.671 148 A CB 0.918 19.808 19.000 -0.184 0.000 1.277 148 A HN 0.154 nan 8.150 nan 0.000 0.417 149 A N 0.660 123.329 122.820 -0.253 0.000 2.303 149 A HA 0.888 5.208 4.320 0.001 0.000 0.317 149 A C -0.239 177.320 177.584 -0.042 0.000 1.149 149 A CA -0.186 51.807 52.037 -0.073 0.000 0.822 149 A CB 0.826 19.844 19.000 0.029 0.000 1.131 149 A HN 1.755 nan 8.150 nan 0.000 0.493 150 M N 1.284 120.888 119.600 0.006 0.000 2.523 150 M HA 0.485 4.965 4.480 0.001 0.000 0.287 150 M C 0.292 176.622 176.300 0.051 0.000 1.160 150 M CA 0.671 55.985 55.300 0.023 0.000 0.902 150 M CB 1.716 34.322 32.600 0.010 0.000 1.752 150 M HN 1.975 nan 8.290 nan 0.000 0.504 151 G N 3.368 112.124 108.800 -0.073 0.000 2.412 151 G HA2 -0.270 3.691 3.960 0.001 0.000 0.297 151 G HA3 -0.270 3.691 3.960 0.001 0.000 0.297 151 G C 0.118 174.794 174.900 -0.373 0.000 0.965 151 G CA 1.012 45.843 45.100 -0.449 0.000 1.134 151 G HN 1.224 nan 8.290 nan 0.000 0.511 152 F N -4.729 115.259 119.950 0.063 0.000 2.544 152 F HA -0.295 4.233 4.527 0.001 0.000 0.389 152 F C 1.323 177.161 175.800 0.063 0.000 0.588 152 F CA 0.114 58.151 58.000 0.062 0.000 1.461 152 F CB -2.063 37.006 39.000 0.115 0.000 1.995 152 F HN 0.535 nan 8.300 nan 0.000 0.282 153 C N 2.430 121.857 119.300 0.212 0.000 2.295 153 C HA 0.481 4.941 4.460 0.001 0.000 0.331 153 C C 1.859 176.862 174.990 0.021 0.000 1.280 153 C CA -0.870 58.230 59.018 0.137 0.000 1.746 153 C CB 0.568 28.413 27.740 0.175 0.000 2.328 153 C HN 0.231 nan 8.230 nan 0.000 0.521 154 I N 0.944 121.460 120.570 -0.091 0.000 2.499 154 I HA 0.219 4.390 4.170 0.001 0.000 0.243 154 I C 0.341 176.167 176.117 -0.484 0.000 1.085 154 I CA 1.202 62.285 61.300 -0.362 0.000 1.422 154 I CB -0.605 37.050 38.000 -0.576 0.000 1.165 154 I HN 0.388 nan 8.210 nan 0.000 0.440 155 F N 0.665 120.635 119.950 0.034 0.000 2.546 155 F HA 0.378 4.906 4.527 0.002 0.000 0.320 155 F C 0.771 176.695 175.800 0.208 0.000 1.076 155 F CA -1.621 56.403 58.000 0.041 0.000 0.928 155 F CB 0.353 39.378 39.000 0.042 0.000 1.189 155 F HN -0.106 nan 8.300 nan 0.000 0.465 156 N N 2.783 121.887 118.700 0.673 0.000 2.508 156 N HA 0.010 4.751 4.740 0.001 0.000 0.253 156 N C 0.633 176.313 175.510 0.284 0.000 1.145 156 N CA 0.180 53.456 53.050 0.377 0.000 0.973 156 N CB 0.024 38.676 38.487 0.276 0.000 1.305 156 N HN 0.551 nan 8.380 nan 0.000 0.506 157 N N 1.235 120.057 118.700 0.203 0.000 2.061 157 N HA -0.194 4.547 4.740 0.001 0.000 0.193 157 N C 1.568 177.133 175.510 0.092 0.000 1.030 157 N CA 2.147 55.272 53.050 0.125 0.000 0.856 157 N CB -0.514 38.002 38.487 0.048 0.000 1.023 157 N HN 0.621 nan 8.380 nan 0.000 0.424 158 T N -1.813 112.787 114.554 0.076 0.000 2.867 158 T HA 0.045 4.396 4.350 0.001 0.000 0.268 158 T C 2.131 176.911 174.700 0.133 0.000 1.057 158 T CA 1.192 63.320 62.100 0.048 0.000 1.136 158 T CB -0.329 68.537 68.868 -0.005 0.000 0.874 158 T HN 0.013 nan 8.240 nan 0.000 0.466 159 S N 0.968 116.809 115.700 0.235 0.000 2.387 159 S HA 0.024 4.495 4.470 0.001 0.000 0.226 159 S C 2.216 177.024 174.600 0.346 0.000 1.026 159 S CA 0.823 59.286 58.200 0.438 0.000 0.972 159 S CB -0.454 62.978 63.200 0.385 0.000 0.814 159 S HN 0.398 nan 8.310 nan 0.000 0.477 160 V N 2.187 122.222 119.914 0.201 0.000 2.343 160 V HA -0.210 3.911 4.120 0.001 0.000 0.247 160 V C 2.655 178.849 176.094 0.166 0.000 1.051 160 V CA 1.743 64.137 62.300 0.157 0.000 1.036 160 V CB -1.223 30.663 31.823 0.105 0.000 0.654 160 V HN 0.532 nan 8.190 nan 0.000 0.451 161 A N 0.061 122.955 122.820 0.123 0.000 1.877 161 A HA -0.110 4.211 4.320 0.001 0.000 0.216 161 A C 2.425 180.094 177.584 0.141 0.000 1.186 161 A CA 2.141 54.235 52.037 0.095 0.000 0.620 161 A CB -0.831 18.183 19.000 0.023 0.000 0.822 161 A HN 0.571 nan 8.150 nan 0.000 0.443 162 A N -0.563 122.323 122.820 0.109 0.000 1.930 162 A HA 0.157 4.478 4.320 0.001 0.000 0.217 162 A C 2.394 180.031 177.584 0.088 0.000 1.175 162 A CA 1.830 53.871 52.037 0.006 0.000 0.627 162 A CB -1.343 17.541 19.000 -0.193 0.000 0.815 162 A HN 0.734 nan 8.150 nan 0.000 0.443 163 G N -1.632 107.360 108.800 0.320 0.000 2.418 163 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 163 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 163 G C 1.546 176.570 174.900 0.206 0.000 1.158 163 G CA 1.274 46.589 45.100 0.359 0.000 0.771 163 G HN 0.605 nan 8.290 nan 0.000 0.545 164 Y N 1.864 122.212 120.300 0.080 0.000 2.181 164 Y HA 0.047 4.598 4.550 0.002 0.000 0.288 164 Y C 2.906 178.817 175.900 0.019 0.000 1.146 164 Y CA 1.501 59.625 58.100 0.039 0.000 1.164 164 Y CB -0.252 38.223 38.460 0.025 0.000 0.982 164 Y HN 0.240 nan 8.280 nan 0.000 0.515 165 A N 0.676 123.565 122.820 0.115 0.000 1.972 165 A HA -0.135 4.185 4.320 0.001 0.000 0.219 165 A C 2.287 179.827 177.584 -0.073 0.000 1.169 165 A CA 1.402 53.447 52.037 0.013 0.000 0.635 165 A CB -0.440 18.583 19.000 0.038 0.000 0.810 165 A HN 0.389 nan 8.150 nan 0.000 0.446 166 R N -0.607 119.865 120.500 -0.048 0.000 2.056 166 R HA 0.008 4.349 4.340 0.001 0.000 0.227 166 R C 2.489 178.751 176.300 -0.063 0.000 1.149 166 R CA 1.542 57.614 56.100 -0.048 0.000 0.937 166 R CB -1.033 29.265 30.300 -0.004 0.000 0.835 166 R HN 0.490 nan 8.270 nan 0.000 0.430 167 A N 0.211 122.995 122.820 -0.060 0.000 1.930 167 A HA -0.015 4.306 4.320 0.001 0.000 0.215 167 A C 2.328 179.819 177.584 -0.155 0.000 1.176 167 A CA 1.062 53.055 52.037 -0.074 0.000 0.632 167 A CB -0.114 18.869 19.000 -0.029 0.000 0.819 167 A HN 0.118 nan 8.150 nan 0.000 0.445 168 V N -0.468 119.261 119.914 -0.308 0.000 2.581 168 V HA 0.013 4.134 4.120 0.001 0.000 0.240 168 V C 2.195 178.090 176.094 -0.331 0.000 1.054 168 V CA 1.142 63.191 62.300 -0.418 0.000 1.076 168 V CB -0.423 30.874 31.823 -0.877 0.000 0.748 168 V HN 0.498 nan 8.190 nan 0.000 0.474 169 L N 0.547 121.571 121.223 -0.331 0.000 2.446 169 L HA 0.337 4.678 4.340 0.001 0.000 0.219 169 L C 1.740 178.545 176.870 -0.109 0.000 1.116 169 L CA 0.942 55.677 54.840 -0.176 0.000 0.844 169 L CB -0.510 41.481 42.059 -0.113 0.000 0.970 169 L HN 0.559 nan 8.230 nan 0.000 0.457 170 G N 0.497 109.231 108.800 -0.110 0.000 2.147 170 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 170 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 170 G C 0.270 175.130 174.900 -0.066 0.000 1.005 170 G CA -0.116 44.938 45.100 -0.077 0.000 0.713 170 G HN 0.223 nan 8.290 nan 0.000 0.515 171 M N -0.078 119.480 119.600 -0.070 0.000 2.238 171 M HA 0.251 4.732 4.480 0.001 0.000 0.347 171 M C 1.435 177.691 176.300 -0.074 0.000 1.173 171 M CA 0.452 55.712 55.300 -0.067 0.000 1.147 171 M CB 0.562 33.125 32.600 -0.062 0.000 1.547 171 M HN 0.275 nan 8.290 nan 0.000 0.455 172 E N 1.618 121.767 120.200 -0.084 0.000 2.250 172 E HA 0.063 4.414 4.350 0.001 0.000 0.192 172 E C -0.126 176.405 176.600 -0.114 0.000 0.986 172 E CA 0.719 57.062 56.400 -0.094 0.000 0.849 172 E CB 0.575 30.214 29.700 -0.101 0.000 0.797 172 E HN 0.506 nan 8.360 nan 0.000 0.482 173 R N 0.515 120.940 120.500 -0.125 0.000 2.538 173 R HA 0.447 4.788 4.340 0.001 0.000 0.292 173 R C -1.458 174.819 176.300 -0.038 0.000 1.008 173 R CA -0.440 55.590 56.100 -0.116 0.000 0.896 173 R CB 2.558 32.642 30.300 -0.360 0.000 1.187 173 R HN -0.151 nan 8.270 nan 0.000 0.440 174 V N 1.441 121.361 119.914 0.009 0.000 2.735 174 V HA 0.738 4.859 4.120 0.001 0.000 0.310 174 V C -0.485 175.601 176.094 -0.013 0.000 1.061 174 V CA -0.939 61.335 62.300 -0.043 0.000 0.913 174 V CB 1.994 33.711 31.823 -0.176 0.000 1.005 174 V HN 0.898 nan 8.190 nan 0.000 0.428 175 A N 4.810 127.612 122.820 -0.030 0.000 2.330 175 A HA 0.907 5.228 4.320 0.001 0.000 0.327 175 A C -0.797 176.693 177.584 -0.156 0.000 1.155 175 A CA -0.525 51.447 52.037 -0.108 0.000 0.803 175 A CB 0.742 19.720 19.000 -0.036 0.000 1.208 175 A HN 0.765 nan 8.150 nan 0.000 0.477 176 I N 3.035 123.499 120.570 -0.175 0.000 2.382 176 I HA 0.261 4.432 4.170 0.001 0.000 0.285 176 I C -0.883 175.168 176.117 -0.111 0.000 1.007 176 I CA -0.619 60.591 61.300 -0.150 0.000 1.142 176 I CB 1.550 39.480 38.000 -0.116 0.000 1.289 176 I HN 0.542 nan 8.210 nan 0.000 0.453 177 L N 6.983 128.117 121.223 -0.147 0.000 2.265 177 L HA 0.508 4.849 4.340 0.001 0.000 0.289 177 L C -0.695 176.085 176.870 -0.150 0.000 1.033 177 L CA 0.162 54.941 54.840 -0.101 0.000 0.814 177 L CB 1.087 43.087 42.059 -0.098 0.000 1.203 177 L HN 0.441 nan 8.230 nan 0.000 0.423 178 D N 4.632 125.028 120.400 -0.006 0.000 2.441 178 D HA 0.217 4.858 4.640 0.001 0.000 0.231 178 D C -0.328 176.092 176.300 0.200 0.000 1.073 178 D CA -0.486 53.517 54.000 0.006 0.000 0.850 178 D CB 0.657 41.524 40.800 0.113 0.000 1.062 178 D HN 0.607 nan 8.370 nan 0.000 0.524 179 W N 3.502 124.874 121.300 0.118 0.000 3.123 179 W HA 0.363 5.024 4.660 0.001 0.000 0.383 179 W C 0.027 176.648 176.519 0.170 0.000 1.102 179 W CA -0.996 56.473 57.345 0.207 0.000 1.865 179 W CB -0.811 28.799 29.460 0.251 0.000 1.111 179 W HN 0.140 nan 8.180 nan 0.000 0.621 180 D N 1.596 122.173 120.400 0.295 0.000 2.506 180 D HA -0.139 4.502 4.640 0.001 0.000 0.234 180 D C 1.283 177.781 176.300 0.331 0.000 1.143 180 D CA 0.431 54.550 54.000 0.198 0.000 0.871 180 D CB 2.182 42.899 40.800 -0.139 0.000 1.190 180 D HN 0.060 nan 8.370 nan 0.000 0.459 181 V N 4.187 124.238 119.914 0.228 0.000 2.913 181 V HA -0.149 3.972 4.120 0.001 0.000 0.260 181 V C 0.381 176.560 176.094 0.143 0.000 1.098 181 V CA 1.422 63.824 62.300 0.169 0.000 1.121 181 V CB -0.597 31.228 31.823 0.003 0.000 0.714 181 V HN 0.511 nan 8.190 nan 0.000 0.487 182 H N -1.114 118.265 119.070 0.515 0.000 2.496 182 H HA 0.421 4.978 4.556 0.002 0.000 0.342 182 H C -0.088 175.520 175.328 0.468 0.000 1.170 182 H CA -0.552 55.808 56.048 0.520 0.000 1.274 182 H CB 0.623 30.768 29.762 0.640 0.000 1.538 182 H HN 0.356 nan 8.280 nan 0.000 0.542 183 H N 0.688 119.868 119.070 0.183 0.000 2.886 183 H HA 0.113 4.670 4.556 0.001 0.000 0.329 183 H C 0.631 175.920 175.328 -0.066 0.000 1.044 183 H CA -0.443 55.458 56.048 -0.245 0.000 1.456 183 H CB 0.518 29.927 29.762 -0.588 0.000 1.464 183 H HN 0.849 nan 8.280 nan 0.000 0.573 184 G N 5.037 113.644 108.800 -0.321 0.000 3.102 184 G HA2 -0.103 3.858 3.960 0.001 0.000 0.264 184 G HA3 -0.103 3.858 3.960 0.001 0.000 0.264 184 G C 0.990 175.496 174.900 -0.657 0.000 0.788 184 G CA -0.072 44.792 45.100 -0.393 0.000 2.029 184 G HN 0.899 nan 8.290 nan 0.000 0.608 185 N N 1.010 119.223 118.700 -0.812 0.000 2.244 185 N HA -0.095 4.646 4.740 0.001 0.000 0.183 185 N C 2.046 177.429 175.510 -0.211 0.000 1.016 185 N CA 1.222 53.937 53.050 -0.560 0.000 0.866 185 N CB -0.361 37.949 38.487 -0.294 0.000 0.980 185 N HN 0.286 nan 8.380 nan 0.000 0.430 186 G N 0.794 109.506 108.800 -0.146 0.000 2.404 186 G HA2 -0.204 3.757 3.960 0.001 0.000 0.215 186 G HA3 -0.204 3.757 3.960 0.001 0.000 0.215 186 G C 1.493 176.392 174.900 -0.002 0.000 1.174 186 G CA 1.474 46.549 45.100 -0.042 0.000 0.780 186 G HN 0.398 nan 8.290 nan 0.000 0.537 187 T N 0.413 114.990 114.554 0.039 0.000 2.788 187 T HA -0.151 4.199 4.350 0.001 0.000 0.268 187 T C 2.269 177.106 174.700 0.228 0.000 1.044 187 T CA 1.583 63.785 62.100 0.171 0.000 1.139 187 T CB -0.211 68.771 68.868 0.191 0.000 0.867 187 T HN 0.474 nan 8.240 nan 0.000 0.454 188 Q N 0.928 120.821 119.800 0.155 0.000 2.084 188 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 188 Q C 2.077 178.256 176.000 0.299 0.000 0.978 188 Q CA 1.966 57.937 55.803 0.280 0.000 0.844 188 Q CB -0.241 28.665 28.738 0.279 0.000 0.898 188 Q HN 0.542 nan 8.270 nan 0.000 0.426 189 D N -0.029 120.424 120.400 0.089 0.000 2.097 189 D HA -0.170 4.471 4.640 0.001 0.000 0.195 189 D C 1.832 178.134 176.300 0.003 0.000 0.989 189 D CA 1.645 55.638 54.000 -0.012 0.000 0.827 189 D CB -0.139 40.607 40.800 -0.090 0.000 0.966 189 D HN 0.403 nan 8.370 nan 0.000 0.456 190 I N -0.877 119.629 120.570 -0.106 0.000 2.226 190 I HA -0.174 3.997 4.170 0.001 0.000 0.245 190 I C 1.158 176.963 176.117 -0.519 0.000 1.100 190 I CA 0.942 61.995 61.300 -0.412 0.000 1.374 190 I CB -0.207 37.389 38.000 -0.674 0.000 1.057 190 I HN 0.218 nan 8.210 nan 0.000 0.413 191 W N -0.431 120.933 121.300 0.106 0.000 3.239 191 W HA 0.080 4.741 4.660 0.002 0.000 0.368 191 W C 1.961 178.568 176.519 0.148 0.000 1.154 191 W CA -0.687 56.712 57.345 0.091 0.000 1.860 191 W CB -0.379 29.114 29.460 0.054 0.000 1.094 191 W HN 0.201 nan 8.180 nan 0.000 0.643 192 W N 2.047 123.412 121.300 0.108 0.000 2.304 192 W HA -0.284 4.377 4.660 0.002 0.000 0.315 192 W C 0.799 177.383 176.519 0.109 0.000 1.233 192 W CA 1.712 59.115 57.345 0.097 0.000 1.261 192 W CB -0.241 29.244 29.460 0.042 0.000 1.150 192 W HN -0.103 nan 8.180 nan 0.000 0.494 193 N N 0.470 119.265 118.700 0.158 0.000 2.322 193 N HA -0.031 4.710 4.740 0.001 0.000 0.194 193 N C -0.861 174.684 175.510 0.058 0.000 1.126 193 N CA 0.666 53.744 53.050 0.047 0.000 0.845 193 N CB -0.071 38.474 38.487 0.097 0.000 0.976 193 N HN 0.034 nan 8.380 nan 0.000 0.475 194 D N 0.911 121.379 120.400 0.114 0.000 2.462 194 D HA 0.198 4.839 4.640 0.001 0.000 0.245 194 D C -1.859 174.472 176.300 0.050 0.000 1.122 194 D CA -1.964 52.115 54.000 0.132 0.000 0.864 194 D CB 2.236 43.224 40.800 0.313 0.000 1.098 194 D HN -0.042 nan 8.370 nan 0.000 0.541 195 P HA -0.053 nan 4.420 nan 0.000 0.237 195 P C 0.906 178.033 177.300 -0.288 0.000 1.178 195 P CA 0.387 63.206 63.100 -0.467 0.000 0.766 195 P CB 0.222 31.496 31.700 -0.711 0.000 0.876 196 S N -1.449 114.186 115.700 -0.108 0.000 2.558 196 S HA 0.107 4.578 4.470 0.001 0.000 0.217 196 S C 0.641 175.189 174.600 -0.086 0.000 0.975 196 S CA -0.108 58.056 58.200 -0.060 0.000 0.912 196 S CB -0.495 62.671 63.200 -0.057 0.000 0.776 196 S HN -0.078 nan 8.310 nan 0.000 0.526 197 V N 2.687 122.490 119.914 -0.184 0.000 2.445 197 V HA 0.437 4.558 4.120 0.001 0.000 0.283 197 V C -0.757 175.150 176.094 -0.313 0.000 1.014 197 V CA -0.829 61.216 62.300 -0.426 0.000 0.852 197 V CB 1.335 32.434 31.823 -1.206 0.000 1.021 197 V HN 0.467 nan 8.190 nan 0.000 0.435 198 L N 6.164 127.123 121.223 -0.440 0.000 2.369 198 L HA 0.590 4.931 4.340 0.001 0.000 0.279 198 L C 0.670 177.377 176.870 -0.272 0.000 1.108 198 L CA 0.756 55.288 54.840 -0.512 0.000 0.852 198 L CB 1.089 42.456 42.059 -1.153 0.000 1.169 198 L HN 0.818 nan 8.230 nan 0.000 0.452 199 T N 3.938 118.424 114.554 -0.112 0.000 2.758 199 T HA 0.687 5.038 4.350 0.001 0.000 0.285 199 T C -0.130 174.586 174.700 0.026 0.000 0.981 199 T CA -0.479 61.617 62.100 -0.008 0.000 0.965 199 T CB 0.539 69.486 68.868 0.131 0.000 0.927 199 T HN 0.469 nan 8.240 nan 0.000 0.448 200 I N 2.524 123.113 120.570 0.032 0.000 2.465 200 I HA 0.528 4.699 4.170 0.001 0.000 0.291 200 I C -0.017 176.193 176.117 0.154 0.000 1.014 200 I CA -0.762 60.582 61.300 0.074 0.000 1.093 200 I CB 2.238 40.257 38.000 0.032 0.000 1.267 200 I HN 0.667 nan 8.210 nan 0.000 0.431 201 S N 6.995 122.840 115.700 0.242 0.000 2.605 201 S HA 0.664 5.135 4.470 0.001 0.000 0.308 201 S C -0.815 173.983 174.600 0.331 0.000 1.113 201 S CA -0.614 57.813 58.200 0.378 0.000 1.049 201 S CB 0.733 64.283 63.200 0.583 0.000 1.001 201 S HN 0.434 nan 8.310 nan 0.000 0.480 202 L N 6.935 128.338 121.223 0.301 0.000 2.307 202 L HA 0.689 5.030 4.340 0.001 0.000 0.282 202 L C 0.089 177.130 176.870 0.286 0.000 1.051 202 L CA -0.737 54.185 54.840 0.136 0.000 0.804 202 L CB 0.893 43.076 42.059 0.207 0.000 1.197 202 L HN 0.760 nan 8.230 nan 0.000 0.431 203 H N 1.066 120.254 119.070 0.197 0.000 3.037 203 H HA 0.158 4.715 4.556 0.002 0.000 0.336 203 H C -1.530 173.903 175.328 0.174 0.000 1.323 203 H CA -0.986 55.207 56.048 0.241 0.000 1.159 203 H CB 1.568 31.504 29.762 0.289 0.000 1.882 203 H HN 0.585 nan 8.280 nan 0.000 0.535 204 Q N 1.652 121.648 119.800 0.326 0.000 2.274 204 Q HA -0.022 4.319 4.340 0.001 0.000 0.280 204 Q C -0.502 175.681 176.000 0.305 0.000 1.047 204 Q CA -0.159 55.792 55.803 0.247 0.000 0.907 204 Q CB 0.294 29.164 28.738 0.220 0.000 1.171 204 Q HN 0.570 nan 8.270 nan 0.000 0.381 205 H N 5.566 124.704 119.070 0.113 0.000 3.107 205 H HA -0.049 4.508 4.556 0.002 0.000 0.301 205 H C 0.385 175.737 175.328 0.039 0.000 0.981 205 H CA 1.177 57.265 56.048 0.068 0.000 1.443 205 H CB -0.105 29.649 29.762 -0.014 0.000 1.479 205 H HN 0.822 nan 8.280 nan 0.000 0.564 206 L N 3.184 124.231 121.223 -0.292 0.000 4.232 206 L HA -0.395 3.946 4.340 0.001 0.000 0.415 206 L C 1.880 178.707 176.870 -0.070 0.000 1.168 206 L CA 0.679 55.315 54.840 -0.339 0.000 0.966 206 L CB -2.202 39.526 42.059 -0.551 0.000 2.052 206 L HN 0.664 nan 8.230 nan 0.000 0.887 207 C N -0.098 119.257 119.300 0.092 0.000 2.508 207 C HA 0.129 4.590 4.460 0.001 0.000 0.280 207 C C 0.921 176.093 174.990 0.303 0.000 1.262 207 C CA 1.301 60.459 59.018 0.233 0.000 1.706 207 C CB 0.050 28.005 27.740 0.358 0.000 2.078 207 C HN 0.492 nan 8.230 nan 0.000 0.480 208 F N 0.844 120.878 119.950 0.139 0.000 2.652 208 F HA 0.535 5.063 4.527 0.001 0.000 0.320 208 F C -2.766 173.004 175.800 -0.050 0.000 1.115 208 F CA -1.687 56.278 58.000 -0.060 0.000 1.053 208 F CB 1.056 39.888 39.000 -0.280 0.000 1.297 208 F HN -0.001 nan 8.300 nan 0.000 0.471 209 P HA 0.350 nan 4.420 nan 0.000 0.276 209 P C -2.754 174.200 177.300 -0.576 0.000 1.261 209 P CA -1.369 60.891 63.100 -1.400 0.000 0.800 209 P CB 0.143 31.144 31.700 -1.165 0.000 1.066 210 P HA 0.026 nan 4.420 nan 0.000 0.272 210 P C -0.254 176.932 177.300 -0.190 0.000 1.230 210 P CA 0.355 63.315 63.100 -0.233 0.000 0.788 210 P CB -0.105 31.502 31.700 -0.155 0.000 0.949 211 D N -1.427 118.899 120.400 -0.122 0.000 2.701 211 D HA -0.165 4.476 4.640 0.001 0.000 0.235 211 D C -0.709 175.610 176.300 0.031 0.000 1.155 211 D CA 1.264 55.279 54.000 0.025 0.000 0.649 211 D CB -1.190 39.643 40.800 0.055 0.000 1.050 211 D HN 0.343 nan 8.370 nan 0.000 0.425 212 S N -1.517 114.101 115.700 -0.137 0.000 2.564 212 S HA 0.638 5.109 4.470 0.001 0.000 0.274 212 S C 0.750 175.130 174.600 -0.366 0.000 1.124 212 S CA 0.385 58.520 58.200 -0.108 0.000 0.869 212 S CB 1.738 64.913 63.200 -0.042 0.000 1.105 212 S HN 0.944 nan 8.310 nan 0.000 0.472 213 G N 1.577 110.051 108.800 -0.543 0.000 2.141 213 G HA2 -0.216 3.745 3.960 0.001 0.000 0.242 213 G HA3 -0.216 3.745 3.960 0.001 0.000 0.242 213 G C -0.234 174.585 174.900 -0.135 0.000 0.982 213 G CA 0.183 44.728 45.100 -0.924 0.000 0.662 213 G HN 0.671 nan 8.290 nan 0.000 0.527 214 Y N 1.334 121.654 120.300 0.033 0.000 2.550 214 Y HA 0.263 4.814 4.550 0.001 0.000 0.343 214 Y C 2.152 178.084 175.900 0.053 0.000 1.245 214 Y CA 0.749 58.904 58.100 0.091 0.000 1.462 214 Y CB 0.763 39.279 38.460 0.092 0.000 1.340 214 Y HN 0.293 nan 8.280 nan 0.000 0.604 215 S N -1.467 114.342 115.700 0.182 0.000 2.481 215 S HA -0.165 4.306 4.470 0.001 0.000 0.231 215 S C 1.672 176.333 174.600 0.102 0.000 0.996 215 S CA 0.968 59.224 58.200 0.095 0.000 0.942 215 S CB -0.986 62.228 63.200 0.024 0.000 0.768 215 S HN 0.876 nan 8.310 nan 0.000 0.520 216 T N -0.266 114.373 114.554 0.141 0.000 3.007 216 T HA 0.011 4.361 4.350 0.001 0.000 0.270 216 T C 0.404 175.210 174.700 0.176 0.000 1.107 216 T CA 0.503 62.676 62.100 0.122 0.000 1.118 216 T CB -0.649 68.269 68.868 0.083 0.000 0.889 216 T HN 0.558 nan 8.240 nan 0.000 0.506 217 E N 1.324 121.670 120.200 0.243 0.000 1.941 217 E HA 0.293 4.644 4.350 0.001 0.000 0.275 217 E C 0.585 177.344 176.600 0.266 0.000 1.113 217 E CA -0.250 56.398 56.400 0.414 0.000 0.878 217 E CB 0.507 30.469 29.700 0.437 0.000 1.070 217 E HN 0.421 nan 8.360 nan 0.000 0.399 218 R N 2.238 122.750 120.500 0.020 0.000 2.535 218 R HA 0.232 4.573 4.340 0.001 0.000 0.323 218 R C 0.497 176.405 176.300 -0.653 0.000 0.979 218 R CA 0.022 55.939 56.100 -0.305 0.000 1.120 218 R CB 1.178 31.243 30.300 -0.391 0.000 1.306 218 R HN 0.654 nan 8.270 nan 0.000 0.540 219 G N 0.963 108.991 108.800 -1.287 0.000 2.685 219 G HA2 0.070 4.031 3.960 0.001 0.000 0.387 219 G HA3 0.070 4.031 3.960 0.001 0.000 0.387 219 G C -1.177 173.009 174.900 -1.191 0.000 1.324 219 G CA -0.547 43.498 45.100 -1.758 0.000 0.878 219 G HN 0.368 nan 8.290 nan 0.000 0.527 220 A N -1.060 121.247 122.820 -0.856 0.000 2.572 220 A HA 1.185 5.506 4.320 0.001 0.000 0.295 220 A C 1.291 178.829 177.584 -0.077 0.000 1.072 220 A CA 1.377 53.270 52.037 -0.239 0.000 0.691 220 A CB 1.065 20.064 19.000 -0.003 0.000 1.291 220 A HN 3.080 nan 8.150 nan 0.000 0.404 221 G N 1.597 110.402 108.800 0.008 0.000 2.583 221 G HA2 -0.371 3.590 3.960 0.001 0.000 0.292 221 G HA3 -0.371 3.590 3.960 0.001 0.000 0.292 221 G C 0.711 175.643 174.900 0.054 0.000 1.203 221 G CA 1.001 46.116 45.100 0.025 0.000 0.987 221 G HN 1.163 nan 8.290 nan 0.000 0.554 222 N N 1.278 120.006 118.700 0.046 0.000 2.364 222 N HA 0.095 4.836 4.740 0.001 0.000 0.183 222 N C 2.161 177.729 175.510 0.097 0.000 1.022 222 N CA 1.223 54.309 53.050 0.060 0.000 0.883 222 N CB -0.197 38.302 38.487 0.020 0.000 0.965 222 N HN 0.772 nan 8.380 nan 0.000 0.438 223 G N -0.442 108.396 108.800 0.063 0.000 2.813 223 G HA2 -0.149 3.812 3.960 0.001 0.000 0.209 223 G HA3 -0.149 3.812 3.960 0.001 0.000 0.209 223 G C 0.041 174.988 174.900 0.079 0.000 1.150 223 G CA -0.153 44.995 45.100 0.079 0.000 0.785 223 G HN 0.378 nan 8.290 nan 0.000 0.535 224 H N -0.025 119.024 119.070 -0.036 0.000 3.107 224 H HA 0.366 4.923 4.556 0.001 0.000 0.301 224 H C 1.490 176.745 175.328 -0.121 0.000 0.981 224 H CA 1.169 57.143 56.048 -0.123 0.000 1.443 224 H CB 0.292 29.991 29.762 -0.105 0.000 1.479 224 H HN 0.200 nan 8.280 nan 0.000 0.564 225 G N 3.723 112.093 108.800 -0.717 0.000 2.175 225 G HA2 -0.295 3.666 3.960 0.001 0.000 0.244 225 G HA3 -0.295 3.666 3.960 0.001 0.000 0.244 225 G C 0.139 174.559 174.900 -0.800 0.000 0.982 225 G CA 0.377 45.059 45.100 -0.696 0.000 0.641 225 G HN 0.639 nan 8.290 nan 0.000 0.527 226 Y N 0.863 121.024 120.300 -0.232 0.000 2.660 226 Y HA 0.416 4.967 4.550 0.001 0.000 0.254 226 Y C 0.872 176.661 175.900 -0.185 0.000 1.176 226 Y CA -0.419 57.560 58.100 -0.202 0.000 1.195 226 Y CB 0.581 38.955 38.460 -0.144 0.000 1.190 226 Y HN 0.299 nan 8.280 nan 0.000 0.535 227 N N 1.113 119.744 118.700 -0.115 0.000 2.352 227 N HA 0.457 5.198 4.740 0.001 0.000 0.291 227 N C -1.729 173.757 175.510 -0.039 0.000 1.040 227 N CA -0.253 52.784 53.050 -0.022 0.000 0.864 227 N CB 1.373 39.895 38.487 0.058 0.000 1.440 227 N HN 0.100 nan 8.380 nan 0.000 0.483 228 I N 2.384 122.964 120.570 0.016 0.000 2.468 228 I HA 0.274 4.445 4.170 0.001 0.000 0.285 228 I C -0.651 175.524 176.117 0.097 0.000 1.039 228 I CA -0.656 60.651 61.300 0.012 0.000 1.074 228 I CB 1.675 39.653 38.000 -0.036 0.000 1.228 228 I HN 0.377 nan 8.210 nan 0.000 0.436 229 N N 4.930 123.700 118.700 0.116 0.000 2.456 229 N HA 0.493 5.234 4.740 0.001 0.000 0.288 229 N C -0.891 174.612 175.510 -0.012 0.000 1.059 229 N CA -0.587 52.557 53.050 0.156 0.000 0.946 229 N CB 2.374 40.987 38.487 0.210 0.000 1.150 229 N HN 0.210 nan 8.380 nan 0.000 0.479 230 V N 3.566 123.392 119.914 -0.147 0.000 2.266 230 V HA 0.291 4.412 4.120 0.001 0.000 0.266 230 V C -2.194 173.626 176.094 -0.456 0.000 1.036 230 V CA -1.528 60.638 62.300 -0.223 0.000 0.828 230 V CB 0.375 32.108 31.823 -0.150 0.000 1.081 230 V HN 0.611 nan 8.190 nan 0.000 0.449 231 P HA 0.328 nan 4.420 nan 0.000 0.276 231 P C -0.692 176.468 177.300 -0.233 0.000 1.235 231 P CA 0.092 62.961 63.100 -0.384 0.000 0.772 231 P CB 1.491 33.078 31.700 -0.188 0.000 0.871 232 L N 5.386 126.520 121.223 -0.149 0.000 2.333 232 L HA 0.553 4.894 4.340 0.001 0.000 0.269 232 L C -2.140 174.729 176.870 -0.003 0.000 1.010 232 L CA -2.751 52.019 54.840 -0.117 0.000 0.818 232 L CB 2.541 44.470 42.059 -0.216 0.000 1.306 232 L HN 0.184 nan 8.230 nan 0.000 0.430 233 P HA 0.234 nan 4.420 nan 0.000 0.277 233 P C -2.673 174.668 177.300 0.069 0.000 1.240 233 P CA -1.811 61.319 63.100 0.049 0.000 0.798 233 P CB 0.042 31.758 31.700 0.026 0.000 0.979 234 P HA -0.032 nan 4.420 nan 0.000 0.264 234 P C 1.117 178.459 177.300 0.070 0.000 1.173 234 P CA 1.806 64.960 63.100 0.089 0.000 0.761 234 P CB -0.262 31.486 31.700 0.081 0.000 0.794 235 G N 1.359 110.205 108.800 0.077 0.000 2.195 235 G HA2 -0.241 3.720 3.960 0.001 0.000 0.246 235 G HA3 -0.241 3.720 3.960 0.001 0.000 0.246 235 G C 0.374 175.311 174.900 0.061 0.000 0.984 235 G CA -0.019 45.116 45.100 0.057 0.000 0.633 235 G HN 0.587 nan 8.290 nan 0.000 0.525 236 S N 0.864 116.616 115.700 0.086 0.000 2.549 236 S HA 0.526 4.997 4.470 0.001 0.000 0.286 236 S C 0.996 175.696 174.600 0.167 0.000 1.314 236 S CA 0.561 58.821 58.200 0.100 0.000 1.062 236 S CB 1.357 64.598 63.200 0.068 0.000 0.865 236 S HN 1.290 nan 8.310 nan 0.000 0.498 237 G N 1.891 110.769 108.800 0.130 0.000 3.257 237 G HA2 0.275 4.236 3.960 0.001 0.000 0.205 237 G HA3 0.275 4.236 3.960 0.001 0.000 0.205 237 G C 0.520 175.481 174.900 0.103 0.000 1.234 237 G CA -0.571 44.578 45.100 0.082 0.000 0.918 237 G HN 0.532 nan 8.290 nan 0.000 0.602 238 N N 0.298 118.994 118.700 -0.007 0.000 2.094 238 N HA -0.156 4.584 4.740 0.001 0.000 0.191 238 N C 2.364 177.898 175.510 0.040 0.000 1.023 238 N CA 1.608 54.643 53.050 -0.025 0.000 0.857 238 N CB -0.543 37.913 38.487 -0.053 0.000 1.013 238 N HN 0.482 nan 8.380 nan 0.000 0.426 239 A N 0.820 123.658 122.820 0.031 0.000 1.877 239 A HA 0.021 4.342 4.320 0.001 0.000 0.216 239 A C 2.372 179.985 177.584 0.048 0.000 1.186 239 A CA 2.088 54.140 52.037 0.026 0.000 0.620 239 A CB -0.925 18.070 19.000 -0.008 0.000 0.822 239 A HN 0.334 nan 8.150 nan 0.000 0.443 240 A N -1.681 121.165 122.820 0.042 0.000 1.898 240 A HA -0.040 4.281 4.320 0.001 0.000 0.216 240 A C 2.109 179.686 177.584 -0.012 0.000 1.181 240 A CA 1.497 53.535 52.037 0.001 0.000 0.620 240 A CB -0.802 18.169 19.000 -0.048 0.000 0.819 240 A HN 0.564 nan 8.150 nan 0.000 0.442 241 Y N 0.085 120.371 120.300 -0.023 0.000 2.181 241 Y HA -0.126 4.425 4.550 0.001 0.000 0.288 241 Y C 2.204 178.092 175.900 -0.020 0.000 1.146 241 Y CA 1.729 59.803 58.100 -0.043 0.000 1.164 241 Y CB -0.248 38.132 38.460 -0.134 0.000 0.982 241 Y HN 0.180 nan 8.280 nan 0.000 0.515 242 L N -1.520 119.780 121.223 0.128 0.000 2.217 242 L HA -0.197 4.144 4.340 0.001 0.000 0.211 242 L C 2.201 179.125 176.870 0.091 0.000 1.107 242 L CA 1.195 56.086 54.840 0.086 0.000 0.783 242 L CB -0.515 41.580 42.059 0.060 0.000 0.919 242 L HN 0.268 nan 8.230 nan 0.000 0.442 243 H N 0.293 119.363 119.070 -0.000 0.000 2.357 243 H HA -0.104 4.453 4.556 0.001 0.000 0.301 243 H C 2.185 177.500 175.328 -0.023 0.000 1.082 243 H CA 1.493 57.532 56.048 -0.014 0.000 1.342 243 H CB 0.165 29.910 29.762 -0.027 0.000 1.389 243 H HN 0.262 nan 8.280 nan 0.000 0.511 244 A N 0.551 123.372 122.820 0.001 0.000 1.902 244 A HA -0.172 4.149 4.320 0.001 0.000 0.217 244 A C 2.307 179.868 177.584 -0.038 0.000 1.181 244 A CA 1.722 53.721 52.037 -0.064 0.000 0.623 244 A CB -0.476 18.461 19.000 -0.104 0.000 0.818 244 A HN 0.381 nan 8.150 nan 0.000 0.443 245 M N 0.080 119.690 119.600 0.017 0.000 2.065 245 M HA -0.155 4.326 4.480 0.001 0.000 0.259 245 M C 1.497 177.800 176.300 0.004 0.000 1.069 245 M CA 1.684 57.014 55.300 0.051 0.000 1.110 245 M CB -1.517 31.135 32.600 0.088 0.000 1.328 245 M HN 0.357 nan 8.290 nan 0.000 0.405 246 D N -0.353 120.024 120.400 -0.038 0.000 2.149 246 D HA -0.106 4.535 4.640 0.001 0.000 0.201 246 D C 2.235 178.467 176.300 -0.114 0.000 0.972 246 D CA 0.955 54.918 54.000 -0.062 0.000 0.835 246 D CB -0.107 40.657 40.800 -0.059 0.000 0.966 246 D HN 0.373 nan 8.370 nan 0.000 0.476 247 Q N -0.195 119.478 119.800 -0.211 0.000 2.302 247 Q HA 0.066 4.407 4.340 0.001 0.000 0.202 247 Q C 1.956 177.884 176.000 -0.120 0.000 0.936 247 Q CA 0.443 56.117 55.803 -0.217 0.000 0.886 247 Q CB 0.923 29.430 28.738 -0.384 0.000 0.986 247 Q HN 0.219 nan 8.270 nan 0.000 0.487 248 V N -1.182 118.678 119.914 -0.090 0.000 3.054 248 V HA -0.006 4.115 4.120 0.001 0.000 0.227 248 V C 2.091 178.172 176.094 -0.020 0.000 1.252 248 V CA 0.390 62.658 62.300 -0.053 0.000 1.279 248 V CB -0.093 31.698 31.823 -0.054 0.000 1.118 248 V HN -0.089 nan 8.190 nan 0.000 0.504 249 V N 0.778 120.694 119.914 0.003 0.000 2.270 249 V HA -0.217 3.904 4.120 0.001 0.000 0.245 249 V C 2.328 178.445 176.094 0.038 0.000 1.043 249 V CA 2.270 64.592 62.300 0.037 0.000 1.014 249 V CB -0.539 31.337 31.823 0.089 0.000 0.645 249 V HN 0.406 nan 8.190 nan 0.000 0.447 250 L N -0.398 120.848 121.223 0.039 0.000 2.056 250 L HA -0.073 4.268 4.340 0.001 0.000 0.207 250 L C 0.002 176.891 176.870 0.031 0.000 1.078 250 L CA 1.450 56.316 54.840 0.044 0.000 0.749 250 L CB -1.859 40.228 42.059 0.047 0.000 0.901 250 L HN 0.348 nan 8.230 nan 0.000 0.433 251 P HA -0.180 nan 4.420 nan 0.000 0.216 251 P C 1.524 178.836 177.300 0.019 0.000 1.150 251 P CA 1.784 64.890 63.100 0.009 0.000 0.837 251 P CB 0.008 31.701 31.700 -0.011 0.000 0.786 252 A N -0.532 122.296 122.820 0.013 0.000 1.877 252 A HA -0.181 4.140 4.320 0.001 0.000 0.216 252 A C 2.231 179.856 177.584 0.068 0.000 1.186 252 A CA 1.539 53.587 52.037 0.018 0.000 0.620 252 A CB -1.677 17.314 19.000 -0.016 0.000 0.822 252 A HN 0.101 nan 8.150 nan 0.000 0.443 253 L N -1.172 120.091 121.223 0.065 0.000 2.017 253 L HA -0.209 4.132 4.340 0.001 0.000 0.208 253 L C 2.908 179.844 176.870 0.110 0.000 1.073 253 L CA 1.642 56.542 54.840 0.100 0.000 0.745 253 L CB -0.522 41.579 42.059 0.069 0.000 0.894 253 L HN 0.358 nan 8.230 nan 0.000 0.432 254 R N -0.161 120.383 120.500 0.072 0.000 2.096 254 R HA -0.137 4.204 4.340 0.001 0.000 0.235 254 R C 2.419 178.755 176.300 0.060 0.000 1.127 254 R CA 1.318 57.451 56.100 0.055 0.000 0.968 254 R CB -0.470 29.853 30.300 0.038 0.000 0.861 254 R HN 0.369 nan 8.270 nan 0.000 0.440 255 A N 0.144 123.009 122.820 0.075 0.000 1.930 255 A HA -0.202 4.119 4.320 0.001 0.000 0.217 255 A C 1.921 179.584 177.584 0.133 0.000 1.175 255 A CA 1.107 53.193 52.037 0.082 0.000 0.627 255 A CB -0.540 18.502 19.000 0.069 0.000 0.815 255 A HN 0.433 nan 8.150 nan 0.000 0.443 256 Y N -0.606 119.713 120.300 0.031 0.000 2.365 256 Y HA 0.072 4.623 4.550 0.002 0.000 0.293 256 Y C 0.438 176.352 175.900 0.023 0.000 1.119 256 Y CA 0.914 59.047 58.100 0.055 0.000 1.203 256 Y CB 0.320 38.818 38.460 0.063 0.000 1.026 256 Y HN 0.335 nan 8.280 nan 0.000 0.549 257 R N 0.067 120.563 120.500 -0.007 0.000 3.152 257 R HA -0.141 4.200 4.340 0.001 0.000 0.252 257 R C -2.826 173.364 176.300 -0.183 0.000 0.930 257 R CA 0.604 56.646 56.100 -0.097 0.000 0.642 257 R CB -2.575 27.651 30.300 -0.124 0.000 1.205 257 R HN 0.341 nan 8.270 nan 0.000 0.452 258 P HA 0.065 nan 4.420 nan 0.000 0.272 258 P C 0.301 177.576 177.300 -0.042 0.000 1.230 258 P CA -0.110 62.987 63.100 -0.006 0.000 0.788 258 P CB 0.640 32.427 31.700 0.146 0.000 0.949 259 Q N -0.098 119.669 119.800 -0.055 0.000 2.424 259 Q HA 0.208 4.549 4.340 0.001 0.000 0.204 259 Q C 0.130 176.114 176.000 -0.026 0.000 0.933 259 Q CA 0.718 56.494 55.803 -0.044 0.000 0.929 259 Q CB -0.036 28.669 28.738 -0.054 0.000 1.037 259 Q HN 0.299 nan 8.270 nan 0.000 0.511 260 L N -0.650 120.558 121.223 -0.024 0.000 2.549 260 L HA 0.488 4.829 4.340 0.001 0.000 0.259 260 L C -1.892 174.951 176.870 -0.045 0.000 0.934 260 L CA -0.587 54.234 54.840 -0.031 0.000 0.865 260 L CB 1.648 43.687 42.059 -0.034 0.000 1.352 260 L HN -0.096 nan 8.230 nan 0.000 0.410 261 I N 5.528 126.057 120.570 -0.068 0.000 2.362 261 I HA 0.480 4.650 4.170 0.001 0.000 0.289 261 I C -0.589 175.411 176.117 -0.195 0.000 0.994 261 I CA -0.365 60.866 61.300 -0.115 0.000 1.158 261 I CB 1.584 39.517 38.000 -0.110 0.000 1.315 261 I HN 0.480 nan 8.210 nan 0.000 0.451 262 I N 6.742 127.182 120.570 -0.218 0.000 2.404 262 I HA 0.389 4.560 4.170 0.001 0.000 0.293 262 I C -0.600 175.290 176.117 -0.378 0.000 0.992 262 I CA -0.874 60.262 61.300 -0.272 0.000 1.149 262 I CB 1.981 39.870 38.000 -0.185 0.000 1.315 262 I HN 0.165 nan 8.210 nan 0.000 0.446 263 V N 4.828 124.398 119.914 -0.573 0.000 2.384 263 V HA 0.416 4.537 4.120 0.001 0.000 0.287 263 V C 0.650 176.393 176.094 -0.585 0.000 1.020 263 V CA -0.628 61.242 62.300 -0.716 0.000 0.850 263 V CB 1.526 32.618 31.823 -1.218 0.000 0.987 263 V HN 0.913 nan 8.190 nan 0.000 0.436 264 G N 2.362 110.864 108.800 -0.496 0.000 2.530 264 G HA2 0.297 4.258 3.960 0.001 0.000 0.313 264 G HA3 0.297 4.258 3.960 0.001 0.000 0.313 264 G C 0.223 174.775 174.900 -0.580 0.000 0.971 264 G CA -0.073 44.782 45.100 -0.407 0.000 1.237 264 G HN 0.648 nan 8.290 nan 0.000 0.446 265 S N 2.377 117.747 115.700 -0.551 0.000 2.592 265 S HA 0.573 5.044 4.470 0.001 0.000 0.305 265 S C 0.883 175.177 174.600 -0.511 0.000 1.118 265 S CA -0.351 57.488 58.200 -0.603 0.000 1.075 265 S CB -0.169 62.916 63.200 -0.192 0.000 1.107 265 S HN 0.728 nan 8.310 nan 0.000 0.503 266 G N 2.359 110.917 108.800 -0.403 0.000 2.437 266 G HA2 0.592 4.553 3.960 0.001 0.000 0.319 266 G HA3 0.592 4.553 3.960 0.001 0.000 0.319 266 G C -0.355 174.179 174.900 -0.611 0.000 1.158 266 G CA -0.685 44.188 45.100 -0.379 0.000 0.899 266 G HN 0.708 nan 8.290 nan 0.000 0.502 267 F N -0.343 119.548 119.950 -0.098 0.000 2.735 267 F HA 0.160 4.688 4.527 0.001 0.000 0.308 267 F C 1.211 177.001 175.800 -0.015 0.000 1.112 267 F CA -0.578 57.202 58.000 -0.367 0.000 1.235 267 F CB 0.996 39.612 39.000 -0.640 0.000 1.027 267 F HN 0.437 nan 8.300 nan 0.000 0.528 268 D N 0.271 120.788 120.400 0.195 0.000 2.363 268 D HA -0.048 4.593 4.640 0.001 0.000 0.226 268 D C 1.751 178.211 176.300 0.266 0.000 1.020 268 D CA 0.510 54.677 54.000 0.279 0.000 0.892 268 D CB -0.271 40.773 40.800 0.406 0.000 0.900 268 D HN 0.225 nan 8.370 nan 0.000 0.531 269 A N 0.431 123.439 122.820 0.312 0.000 2.238 269 A HA 0.131 4.452 4.320 0.001 0.000 0.208 269 A C 1.329 179.036 177.584 0.206 0.000 1.177 269 A CA 0.146 52.303 52.037 0.199 0.000 0.804 269 A CB -0.523 18.452 19.000 -0.043 0.000 0.823 269 A HN 0.298 nan 8.150 nan 0.000 0.482 270 S N -1.352 114.584 115.700 0.394 0.000 2.584 270 S HA 0.186 4.657 4.470 0.001 0.000 0.270 270 S C 1.039 175.789 174.600 0.250 0.000 1.346 270 S CA 0.331 58.771 58.200 0.400 0.000 1.018 270 S CB 0.349 63.857 63.200 0.513 0.000 0.899 270 S HN 0.343 nan 8.310 nan 0.000 0.542 271 M N 1.724 121.448 119.600 0.208 0.000 2.260 271 M HA 0.074 4.555 4.480 0.001 0.000 0.261 271 M C 0.946 177.292 176.300 0.076 0.000 1.066 271 M CA 1.733 57.082 55.300 0.082 0.000 1.082 271 M CB -0.588 32.004 32.600 -0.013 0.000 1.388 271 M HN 0.766 nan 8.290 nan 0.000 0.419 272 L N -1.145 120.156 121.223 0.130 0.000 2.857 272 L HA 0.243 4.584 4.340 0.001 0.000 0.249 272 L C 0.180 177.159 176.870 0.183 0.000 1.172 272 L CA -0.430 54.478 54.840 0.113 0.000 0.980 272 L CB -0.191 41.888 42.059 0.032 0.000 1.299 272 L HN 0.069 nan 8.230 nan 0.000 0.535 273 D N 1.896 122.425 120.400 0.215 0.000 2.304 273 D HA 0.110 4.751 4.640 0.001 0.000 0.250 273 D C -1.435 174.999 176.300 0.224 0.000 1.107 273 D CA -1.338 52.815 54.000 0.255 0.000 0.885 273 D CB 2.205 43.186 40.800 0.302 0.000 1.192 273 D HN -0.029 nan 8.370 nan 0.000 0.436 274 P HA -0.019 nan 4.420 nan 0.000 0.225 274 P C 1.292 178.690 177.300 0.165 0.000 1.156 274 P CA 0.470 63.672 63.100 0.169 0.000 0.787 274 P CB 0.491 32.277 31.700 0.143 0.000 0.802 275 L N -1.520 119.840 121.223 0.230 0.000 2.653 275 L HA 0.422 4.763 4.340 0.001 0.000 0.231 275 L C 0.895 177.977 176.870 0.354 0.000 1.153 275 L CA -0.268 54.714 54.840 0.236 0.000 0.933 275 L CB -0.064 42.074 42.059 0.132 0.000 1.175 275 L HN -0.036 nan 8.230 nan 0.000 0.473 276 A N -0.617 122.358 122.820 0.259 0.000 2.536 276 A HA 0.671 4.991 4.320 0.001 0.000 0.293 276 A C -0.445 177.238 177.584 0.165 0.000 1.119 276 A CA -0.671 51.491 52.037 0.207 0.000 0.654 276 A CB 1.040 20.126 19.000 0.143 0.000 1.291 276 A HN 0.039 nan 8.150 nan 0.000 0.439 277 R N 0.001 120.589 120.500 0.146 0.000 2.652 277 R HA 0.277 4.618 4.340 0.001 0.000 0.372 277 R C -0.367 176.001 176.300 0.114 0.000 1.104 277 R CA -0.147 56.024 56.100 0.118 0.000 1.072 277 R CB 0.155 30.516 30.300 0.102 0.000 1.367 277 R HN 0.673 nan 8.270 nan 0.000 0.577 278 M N 0.017 119.697 119.600 0.133 0.000 2.369 278 M HA 0.411 4.892 4.480 0.001 0.000 0.291 278 M C 0.920 177.272 176.300 0.085 0.000 1.178 278 M CA -0.215 55.166 55.300 0.134 0.000 0.996 278 M CB 0.732 33.447 32.600 0.192 0.000 1.472 278 M HN -0.070 nan 8.290 nan 0.000 0.496 279 M N 0.506 120.137 119.600 0.053 0.000 2.809 279 M HA 0.236 4.717 4.480 0.001 0.000 0.388 279 M C -0.720 175.552 176.300 -0.048 0.000 1.248 279 M CA -0.191 55.115 55.300 0.011 0.000 0.885 279 M CB 0.558 33.160 32.600 0.005 0.000 1.386 279 M HN 0.221 nan 8.290 nan 0.000 0.509 280 V N 1.566 121.397 119.914 -0.138 0.000 2.614 280 V HA 0.213 4.333 4.120 0.001 0.000 0.291 280 V C 0.892 176.906 176.094 -0.133 0.000 1.049 280 V CA -0.034 62.058 62.300 -0.346 0.000 1.038 280 V CB 0.887 32.162 31.823 -0.913 0.000 0.980 280 V HN 0.554 nan 8.190 nan 0.000 0.481 281 T N 1.829 116.327 114.554 -0.094 0.000 2.937 281 T HA 0.641 4.992 4.350 0.001 0.000 0.283 281 T C 1.260 176.058 174.700 0.164 0.000 1.012 281 T CA -0.083 62.120 62.100 0.171 0.000 0.997 281 T CB 1.741 70.700 68.868 0.151 0.000 1.136 281 T HN 0.695 nan 8.240 nan 0.000 0.551 282 A N 0.295 123.281 122.820 0.275 0.000 1.908 282 A HA -0.108 4.213 4.320 0.001 0.000 0.218 282 A C 1.965 179.623 177.584 0.124 0.000 1.181 282 A CA 2.331 54.455 52.037 0.146 0.000 0.627 282 A CB -1.468 17.558 19.000 0.044 0.000 0.818 282 A HN 1.015 nan 8.150 nan 0.000 0.445 283 D N -0.843 119.633 120.400 0.127 0.000 2.178 283 D HA -0.035 4.606 4.640 0.001 0.000 0.201 283 D C 1.936 178.238 176.300 0.004 0.000 0.980 283 D CA 1.574 55.619 54.000 0.075 0.000 0.842 283 D CB -0.392 40.477 40.800 0.114 0.000 0.948 283 D HN 0.317 nan 8.370 nan 0.000 0.472 284 G N -0.730 108.023 108.800 -0.079 0.000 2.421 284 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 284 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 284 G C 1.354 176.073 174.900 -0.301 0.000 1.171 284 G CA 0.572 45.532 45.100 -0.232 0.000 0.775 284 G HN 0.266 nan 8.290 nan 0.000 0.543 285 F N 0.774 120.631 119.950 -0.155 0.000 2.171 285 F HA 0.049 4.577 4.527 0.001 0.000 0.300 285 F C 2.681 178.416 175.800 -0.109 0.000 1.090 285 F CA 1.279 59.157 58.000 -0.203 0.000 1.293 285 F CB -0.377 38.588 39.000 -0.058 0.000 1.013 285 F HN 0.031 nan 8.300 nan 0.000 0.486 286 R N 0.514 121.083 120.500 0.114 0.000 2.080 286 R HA -0.222 4.119 4.340 0.001 0.000 0.236 286 R C 2.132 178.473 176.300 0.068 0.000 1.137 286 R CA 2.055 58.204 56.100 0.081 0.000 0.943 286 R CB -0.359 29.971 30.300 0.050 0.000 0.846 286 R HN 0.354 nan 8.270 nan 0.000 0.431 287 Q N -0.322 119.494 119.800 0.025 0.000 2.119 287 Q HA -0.150 4.191 4.340 0.001 0.000 0.201 287 Q C 2.245 178.270 176.000 0.041 0.000 0.972 287 Q CA 1.837 57.658 55.803 0.029 0.000 0.847 287 Q CB -0.057 28.684 28.738 0.006 0.000 0.903 287 Q HN 0.417 nan 8.270 nan 0.000 0.433 288 M N 0.076 119.653 119.600 -0.037 0.000 2.086 288 M HA -0.184 4.297 4.480 0.001 0.000 0.261 288 M C 2.361 178.780 176.300 0.198 0.000 1.067 288 M CA 1.625 56.887 55.300 -0.063 0.000 1.116 288 M CB -0.314 31.974 32.600 -0.520 0.000 1.348 288 M HN 0.248 nan 8.290 nan 0.000 0.407 289 A N 0.162 123.152 122.820 0.284 0.000 1.873 289 A HA -0.187 4.134 4.320 0.001 0.000 0.215 289 A C 2.073 179.899 177.584 0.404 0.000 1.186 289 A CA 1.929 54.315 52.037 0.583 0.000 0.616 289 A CB -0.610 18.640 19.000 0.418 0.000 0.823 289 A HN 0.385 nan 8.150 nan 0.000 0.442 290 R N 0.053 120.696 120.500 0.238 0.000 2.080 290 R HA -0.124 4.217 4.340 0.001 0.000 0.236 290 R C 2.240 178.650 176.300 0.185 0.000 1.137 290 R CA 2.135 58.343 56.100 0.180 0.000 0.943 290 R CB -0.525 29.844 30.300 0.115 0.000 0.846 290 R HN 0.527 nan 8.270 nan 0.000 0.431 291 R N -0.939 119.665 120.500 0.173 0.000 2.091 291 R HA -0.089 4.252 4.340 0.001 0.000 0.238 291 R C 2.204 178.616 176.300 0.186 0.000 1.136 291 R CA 2.117 58.309 56.100 0.154 0.000 0.959 291 R CB -0.429 29.951 30.300 0.134 0.000 0.856 291 R HN 0.334 nan 8.270 nan 0.000 0.437 292 T N 0.848 115.565 114.554 0.271 0.000 2.812 292 T HA 0.002 4.353 4.350 0.001 0.000 0.264 292 T C 1.893 176.718 174.700 0.209 0.000 1.042 292 T CA 0.902 63.154 62.100 0.252 0.000 1.140 292 T CB -0.079 68.996 68.868 0.345 0.000 0.870 292 T HN 0.115 nan 8.240 nan 0.000 0.445 293 I N 1.657 122.398 120.570 0.286 0.000 2.163 293 I HA -0.203 3.968 4.170 0.001 0.000 0.243 293 I C 2.319 178.532 176.117 0.159 0.000 1.085 293 I CA 1.283 62.731 61.300 0.247 0.000 1.347 293 I CB -0.398 37.775 38.000 0.289 0.000 1.044 293 I HN 0.132 nan 8.210 nan 0.000 0.408 294 D N 0.196 120.682 120.400 0.144 0.000 2.123 294 D HA -0.213 4.428 4.640 0.001 0.000 0.196 294 D C 2.203 178.555 176.300 0.087 0.000 0.992 294 D CA 1.244 55.306 54.000 0.103 0.000 0.833 294 D CB -0.702 40.154 40.800 0.093 0.000 0.954 294 D HN 0.418 nan 8.370 nan 0.000 0.455 295 C N 1.240 120.596 119.300 0.093 0.000 2.413 295 C HA -0.121 4.340 4.460 0.001 0.000 0.277 295 C C 2.927 177.955 174.990 0.063 0.000 1.228 295 C CA 1.640 60.702 59.018 0.075 0.000 1.731 295 C CB -1.094 26.694 27.740 0.080 0.000 2.042 295 C HN 0.354 nan 8.230 nan 0.000 0.468 296 A N 0.328 123.189 122.820 0.067 0.000 1.940 296 A HA 0.051 4.372 4.320 0.001 0.000 0.219 296 A C 2.493 180.107 177.584 0.051 0.000 1.176 296 A CA 2.435 54.503 52.037 0.051 0.000 0.631 296 A CB -1.200 17.830 19.000 0.051 0.000 0.814 296 A HN 0.942 nan 8.150 nan 0.000 0.446 297 A N -0.148 122.710 122.820 0.063 0.000 1.908 297 A HA -0.209 4.112 4.320 0.001 0.000 0.218 297 A C 1.799 179.409 177.584 0.042 0.000 1.181 297 A CA 1.985 54.055 52.037 0.055 0.000 0.627 297 A CB -0.544 18.493 19.000 0.062 0.000 0.818 297 A HN 0.469 nan 8.150 nan 0.000 0.445 298 D N -0.410 120.015 120.400 0.042 0.000 2.149 298 D HA -0.071 4.570 4.640 0.001 0.000 0.201 298 D C 1.874 178.190 176.300 0.026 0.000 0.972 298 D CA 1.719 55.739 54.000 0.033 0.000 0.835 298 D CB -0.139 40.683 40.800 0.036 0.000 0.966 298 D HN 0.736 nan 8.370 nan 0.000 0.476 299 I N -2.154 118.432 120.570 0.027 0.000 4.139 299 I HA 0.147 4.318 4.170 0.001 0.000 0.320 299 I C 0.764 176.886 176.117 0.008 0.000 1.290 299 I CA 0.010 61.320 61.300 0.017 0.000 1.253 299 I CB 0.550 38.563 38.000 0.022 0.000 1.122 299 I HN -0.016 nan 8.210 nan 0.000 0.421 300 C N -0.152 119.156 119.300 0.013 0.000 3.025 300 C HA 0.502 4.963 4.460 0.001 0.000 0.240 300 C C 0.010 175.008 174.990 0.013 0.000 2.061 300 C CA -0.854 58.168 59.018 0.006 0.000 1.571 300 C CB -1.024 26.715 27.740 -0.001 0.000 3.075 300 C HN 0.520 nan 8.230 nan 0.000 0.479 301 D N 1.135 121.545 120.400 0.018 0.000 2.837 301 D HA -0.154 4.487 4.640 0.001 0.000 0.230 301 D C 1.454 177.774 176.300 0.034 0.000 1.152 301 D CA 2.208 56.222 54.000 0.023 0.000 0.736 301 D CB -1.482 39.328 40.800 0.018 0.000 1.084 301 D HN 1.693 nan 8.370 nan 0.000 0.429 302 G N -0.024 108.801 108.800 0.041 0.000 2.155 302 G HA2 -0.407 3.554 3.960 0.001 0.000 0.257 302 G HA3 -0.407 3.554 3.960 0.001 0.000 0.257 302 G C 0.317 175.251 174.900 0.057 0.000 0.983 302 G CA 0.388 45.523 45.100 0.057 0.000 0.676 302 G HN 0.500 nan 8.290 nan 0.000 0.528 303 R N 0.015 120.537 120.500 0.037 0.000 2.351 303 R HA 0.530 4.871 4.340 0.001 0.000 0.321 303 R C -0.085 176.220 176.300 0.009 0.000 1.182 303 R CA 0.082 56.199 56.100 0.028 0.000 1.011 303 R CB 0.319 30.629 30.300 0.016 0.000 1.048 303 R HN 0.460 nan 8.270 nan 0.000 0.490 304 I N 2.448 123.032 120.570 0.023 0.000 2.569 304 I HA 0.291 4.462 4.170 0.001 0.000 0.290 304 I C -1.304 174.805 176.117 -0.013 0.000 1.088 304 I CA -0.949 60.328 61.300 -0.037 0.000 1.047 304 I CB 2.041 40.029 38.000 -0.019 0.000 1.237 304 I HN 0.157 nan 8.210 nan 0.000 0.421 305 V N 7.870 127.705 119.914 -0.132 0.000 2.483 305 V HA 0.437 4.558 4.120 0.001 0.000 0.297 305 V C -0.671 175.276 176.094 -0.246 0.000 1.027 305 V CA -0.424 61.832 62.300 -0.073 0.000 0.855 305 V CB 1.529 33.316 31.823 -0.060 0.000 0.995 305 V HN 0.455 nan 8.190 nan 0.000 0.424 306 F N 3.789 123.610 119.950 -0.214 0.000 2.394 306 F HA 0.668 5.196 4.527 0.001 0.000 0.340 306 F C 0.214 175.651 175.800 -0.605 0.000 1.105 306 F CA -0.508 57.214 58.000 -0.464 0.000 1.124 306 F CB 1.793 40.435 39.000 -0.596 0.000 1.145 306 F HN 0.163 nan 8.300 nan 0.000 0.505 307 V N 2.691 122.366 119.914 -0.399 0.000 2.577 307 V HA 0.272 4.393 4.120 0.001 0.000 0.303 307 V C -0.484 175.449 176.094 -0.269 0.000 1.042 307 V CA -1.051 61.064 62.300 -0.307 0.000 0.872 307 V CB 1.602 33.307 31.823 -0.197 0.000 0.998 307 V HN 0.614 nan 8.190 nan 0.000 0.423 308 Q N 3.871 123.592 119.800 -0.132 0.000 2.300 308 Q HA 0.188 4.529 4.340 0.001 0.000 0.280 308 Q C 0.236 176.189 176.000 -0.078 0.000 1.033 308 Q CA 0.896 56.715 55.803 0.026 0.000 0.903 308 Q CB 0.700 29.578 28.738 0.234 0.000 1.195 308 Q HN 0.742 nan 8.270 nan 0.000 0.386 309 E N 2.140 122.256 120.200 -0.140 0.000 3.617 309 E HA 0.437 4.788 4.350 0.001 0.000 0.351 309 E C 0.268 176.820 176.600 -0.079 0.000 0.551 309 E CA -0.115 56.182 56.400 -0.172 0.000 2.098 309 E CB -0.640 28.820 29.700 -0.399 0.000 2.118 309 E HN 0.716 nan 8.360 nan 0.000 0.450 310 G N -1.026 107.736 108.800 -0.064 0.000 2.494 310 G HA2 0.478 4.438 3.960 0.001 0.000 0.270 310 G HA3 0.478 4.438 3.960 0.001 0.000 0.270 310 G C -0.174 174.586 174.900 -0.234 0.000 1.423 310 G CA 0.117 45.191 45.100 -0.044 0.000 1.055 310 G HN 0.553 nan 8.290 nan 0.000 0.536 311 G N -3.057 105.365 108.800 -0.630 0.000 2.957 311 G HA2 0.194 4.155 3.960 0.001 0.000 0.636 311 G HA3 0.194 4.155 3.960 0.001 0.000 0.636 311 G C -0.822 173.614 174.900 -0.773 0.000 1.401 311 G CA -0.420 44.447 45.100 -0.388 0.000 0.941 311 G HN 0.720 nan 8.290 nan 0.000 0.610 312 Y N 0.977 121.394 120.300 0.196 0.000 2.610 312 Y HA 0.496 5.047 4.550 0.002 0.000 0.254 312 Y C 1.451 177.422 175.900 0.120 0.000 1.110 312 Y CA 0.005 58.205 58.100 0.166 0.000 1.238 312 Y CB 1.385 39.960 38.460 0.193 0.000 1.322 312 Y HN 0.639 nan 8.280 nan 0.000 0.547 313 S N 3.946 119.749 115.700 0.172 0.000 2.399 313 S HA 0.194 4.665 4.470 0.001 0.000 0.301 313 S C -1.500 173.097 174.600 -0.006 0.000 1.093 313 S CA -1.627 56.646 58.200 0.122 0.000 1.077 313 S CB 0.723 64.041 63.200 0.196 0.000 0.980 313 S HN 0.053 nan 8.310 nan 0.000 0.494 314 P HA -0.137 nan 4.420 nan 0.000 0.220 314 P C 0.849 178.035 177.300 -0.190 0.000 1.148 314 P CA 1.143 64.121 63.100 -0.204 0.000 0.803 314 P CB -0.027 31.490 31.700 -0.304 0.000 0.782 315 H N -1.813 117.311 119.070 0.091 0.000 2.307 315 H HA -0.088 4.469 4.556 0.001 0.000 0.303 315 H C 1.781 177.215 175.328 0.177 0.000 1.073 315 H CA 1.328 57.458 56.048 0.136 0.000 1.338 315 H CB -0.870 28.948 29.762 0.092 0.000 1.389 315 H HN 0.182 nan 8.280 nan 0.000 0.503 316 Y N 0.616 120.914 120.300 -0.005 0.000 2.535 316 Y HA 0.140 4.691 4.550 0.001 0.000 0.266 316 Y C 2.425 178.285 175.900 -0.067 0.000 1.088 316 Y CA -0.243 57.795 58.100 -0.104 0.000 1.285 316 Y CB -0.330 37.982 38.460 -0.247 0.000 1.166 316 Y HN -0.008 nan 8.280 nan 0.000 0.525 317 L N 1.151 122.288 121.223 -0.144 0.000 2.051 317 L HA -0.177 4.164 4.340 0.001 0.000 0.214 317 L C -0.923 175.558 176.870 -0.649 0.000 1.076 317 L CA 1.901 56.514 54.840 -0.378 0.000 0.758 317 L CB -1.158 40.790 42.059 -0.185 0.000 0.890 317 L HN 0.074 nan 8.230 nan 0.000 0.433 318 P HA -0.175 nan 4.420 nan 0.000 0.216 318 P C 1.256 178.072 177.300 -0.808 0.000 1.150 318 P CA 1.640 64.385 63.100 -0.592 0.000 0.837 318 P CB -0.109 31.316 31.700 -0.458 0.000 0.786 319 F N -1.289 118.384 119.950 -0.462 0.000 2.234 319 F HA -0.141 4.387 4.527 0.001 0.000 0.299 319 F C 2.404 177.819 175.800 -0.643 0.000 1.087 319 F CA 0.815 58.558 58.000 -0.429 0.000 1.340 319 F CB -1.463 37.412 39.000 -0.208 0.000 1.031 319 F HN -0.019 nan 8.300 nan 0.000 0.500 320 C N -0.145 118.657 119.300 -0.829 0.000 2.453 320 C HA -0.047 4.414 4.460 0.001 0.000 0.277 320 C C 3.147 177.271 174.990 -1.443 0.000 1.262 320 C CA 1.206 59.630 59.018 -0.989 0.000 1.718 320 C CB -1.609 25.425 27.740 -1.177 0.000 2.031 320 C HN 0.624 nan 8.230 nan 0.000 0.480 321 G N 0.249 107.822 108.800 -2.045 0.000 2.402 321 G HA2 -0.178 3.783 3.960 0.001 0.000 0.216 321 G HA3 -0.178 3.783 3.960 0.001 0.000 0.216 321 G C 1.529 175.878 174.900 -0.919 0.000 1.162 321 G CA 0.751 44.570 45.100 -2.135 0.000 0.777 321 G HN 0.439 nan 8.290 nan 0.000 0.539 322 L N 1.395 122.222 121.223 -0.660 0.000 2.083 322 L HA 0.102 4.443 4.340 0.001 0.000 0.209 322 L C 3.090 179.848 176.870 -0.187 0.000 1.083 322 L CA 2.006 56.697 54.840 -0.247 0.000 0.752 322 L CB -0.643 41.277 42.059 -0.231 0.000 0.899 322 L HN 0.243 nan 8.230 nan 0.000 0.433 323 A N -1.195 121.496 122.820 -0.215 0.000 1.908 323 A HA -0.188 4.133 4.320 0.001 0.000 0.218 323 A C 2.260 179.807 177.584 -0.061 0.000 1.181 323 A CA 2.198 54.175 52.037 -0.099 0.000 0.627 323 A CB -1.138 17.825 19.000 -0.062 0.000 0.818 323 A HN 0.304 nan 8.150 nan 0.000 0.445 324 V N 0.640 120.509 119.914 -0.076 0.000 2.295 324 V HA -0.253 3.868 4.120 0.001 0.000 0.246 324 V C 2.449 178.497 176.094 -0.076 0.000 1.049 324 V CA 1.759 64.054 62.300 -0.008 0.000 1.024 324 V CB -0.724 31.195 31.823 0.160 0.000 0.648 324 V HN 0.520 nan 8.190 nan 0.000 0.447 325 I N 0.281 120.794 120.570 -0.094 0.000 2.194 325 I HA -0.256 3.915 4.170 0.001 0.000 0.246 325 I C 2.530 178.617 176.117 -0.051 0.000 1.093 325 I CA 1.781 63.036 61.300 -0.074 0.000 1.355 325 I CB -1.265 36.673 38.000 -0.103 0.000 1.046 325 I HN 0.487 nan 8.210 nan 0.000 0.413 326 E N 0.299 120.466 120.200 -0.055 0.000 2.150 326 E HA -0.200 4.151 4.350 0.001 0.000 0.193 326 E C 1.966 178.553 176.600 -0.023 0.000 0.985 326 E CA 0.730 57.102 56.400 -0.047 0.000 0.814 326 E CB 0.032 29.706 29.700 -0.044 0.000 0.752 326 E HN 0.431 nan 8.360 nan 0.000 0.466 327 E N 0.498 120.696 120.200 -0.004 0.000 2.152 327 E HA -0.106 4.245 4.350 0.001 0.000 0.192 327 E C 2.140 178.769 176.600 0.048 0.000 0.983 327 E CA 0.581 57.000 56.400 0.032 0.000 0.818 327 E CB -0.027 29.713 29.700 0.066 0.000 0.758 327 E HN 0.325 nan 8.360 nan 0.000 0.467 328 L N 0.693 121.936 121.223 0.034 0.000 2.095 328 L HA -0.105 4.235 4.340 0.001 0.000 0.204 328 L C 2.617 179.522 176.870 0.059 0.000 1.080 328 L CA 1.690 56.575 54.840 0.075 0.000 0.759 328 L CB -0.569 41.545 42.059 0.092 0.000 0.914 328 L HN 0.186 nan 8.230 nan 0.000 0.439 329 T N -3.667 110.900 114.554 0.021 0.000 2.985 329 T HA 0.068 4.419 4.350 0.001 0.000 0.266 329 T C 1.577 176.255 174.700 -0.036 0.000 1.076 329 T CA 0.622 62.721 62.100 -0.001 0.000 1.135 329 T CB -0.007 68.841 68.868 -0.033 0.000 0.890 329 T HN 0.459 nan 8.240 nan 0.000 0.480 330 G N 0.559 109.340 108.800 -0.033 0.000 2.155 330 G HA2 -0.203 3.758 3.960 0.001 0.000 0.257 330 G HA3 -0.203 3.758 3.960 0.001 0.000 0.257 330 G C 0.030 174.873 174.900 -0.095 0.000 0.983 330 G CA 0.121 45.195 45.100 -0.043 0.000 0.676 330 G HN 0.789 nan 8.290 nan 0.000 0.528 331 V N 0.515 120.336 119.914 -0.155 0.000 2.357 331 V HA 0.535 4.656 4.120 0.001 0.000 0.284 331 V C 0.532 176.544 176.094 -0.137 0.000 1.018 331 V CA -0.703 61.463 62.300 -0.224 0.000 0.841 331 V CB 1.518 33.022 31.823 -0.531 0.000 0.991 331 V HN 0.326 nan 8.190 nan 0.000 0.437 332 R N 2.772 123.217 120.500 -0.091 0.000 2.346 332 R HA 0.266 4.607 4.340 0.001 0.000 0.309 332 R C 1.161 177.437 176.300 -0.040 0.000 1.119 332 R CA -0.017 56.051 56.100 -0.054 0.000 1.112 332 R CB 1.062 31.340 30.300 -0.038 0.000 1.132 332 R HN 0.875 nan 8.270 nan 0.000 0.538 333 S N 2.310 117.991 115.700 -0.032 0.000 2.446 333 S HA 0.124 4.594 4.470 0.001 0.000 0.225 333 S C 0.747 175.351 174.600 0.007 0.000 1.016 333 S CA 0.254 58.447 58.200 -0.012 0.000 0.943 333 S CB 0.341 63.538 63.200 -0.005 0.000 0.786 333 S HN 0.346 nan 8.310 nan 0.000 0.508 334 L N 1.531 122.766 121.223 0.020 0.000 2.466 334 L HA 0.536 4.877 4.340 0.001 0.000 0.258 334 L C -2.828 174.073 176.870 0.051 0.000 0.973 334 L CA -2.181 52.690 54.840 0.052 0.000 0.826 334 L CB 2.306 44.433 42.059 0.112 0.000 1.372 334 L HN 0.015 nan 8.230 nan 0.000 0.409 335 P HA 0.141 nan 4.420 nan 0.000 0.274 335 P C -1.230 176.081 177.300 0.018 0.000 1.237 335 P CA -0.402 62.699 63.100 0.001 0.000 0.793 335 P CB 0.506 32.186 31.700 -0.034 0.000 0.977 336 D N 1.828 122.236 120.400 0.014 0.000 2.338 336 D HA 0.058 4.699 4.640 0.001 0.000 0.255 336 D C -1.435 174.808 176.300 -0.095 0.000 1.237 336 D CA -2.100 51.894 54.000 -0.010 0.000 0.883 336 D CB 0.411 41.315 40.800 0.173 0.000 1.087 336 D HN 0.137 nan 8.370 nan 0.000 0.485 337 P HA -0.100 nan 4.420 nan 0.000 0.233 337 P C 0.460 177.534 177.300 -0.377 0.000 1.167 337 P CA 0.694 63.565 63.100 -0.381 0.000 0.770 337 P CB -0.022 31.340 31.700 -0.563 0.000 0.837 338 Y N -1.953 118.261 120.300 -0.144 0.000 2.466 338 Y HA 0.047 4.598 4.550 0.001 0.000 0.272 338 Y C 2.663 178.582 175.900 0.032 0.000 1.169 338 Y CA 0.062 58.124 58.100 -0.065 0.000 1.285 338 Y CB -0.820 37.534 38.460 -0.176 0.000 1.078 338 Y HN 0.063 nan 8.280 nan 0.000 0.523 339 H N 1.121 120.253 119.070 0.103 0.000 2.289 339 H HA -0.225 4.332 4.556 0.002 0.000 0.296 339 H C 2.320 177.682 175.328 0.058 0.000 1.091 339 H CA 2.430 58.528 56.048 0.083 0.000 1.274 339 H CB 0.045 29.836 29.762 0.049 0.000 1.364 339 H HN 0.435 nan 8.280 nan 0.000 0.490 340 E N -0.764 119.474 120.200 0.063 0.000 2.077 340 E HA -0.225 4.125 4.350 0.001 0.000 0.193 340 E C 2.071 178.665 176.600 -0.009 0.000 0.989 340 E CA 1.248 57.654 56.400 0.010 0.000 0.800 340 E CB -0.419 29.324 29.700 0.072 0.000 0.746 340 E HN 0.545 nan 8.360 nan 0.000 0.452 341 F N 1.515 121.406 119.950 -0.098 0.000 2.102 341 F HA -0.117 4.410 4.527 0.001 0.000 0.298 341 F C 1.996 177.732 175.800 -0.108 0.000 1.105 341 F CA 1.488 59.435 58.000 -0.087 0.000 1.239 341 F CB -0.147 38.816 39.000 -0.061 0.000 0.991 341 F HN -0.000 nan 8.300 nan 0.000 0.474 342 L N -0.481 120.647 121.223 -0.159 0.000 2.270 342 L HA 0.024 4.365 4.340 0.001 0.000 0.210 342 L C 2.659 179.365 176.870 -0.272 0.000 1.104 342 L CA 0.756 55.428 54.840 -0.279 0.000 0.804 342 L CB -1.124 40.829 42.059 -0.177 0.000 0.937 342 L HN 0.183 nan 8.230 nan 0.000 0.450 343 A N 0.610 123.250 122.820 -0.301 0.000 2.019 343 A HA -0.074 4.247 4.320 0.001 0.000 0.219 343 A C 2.304 179.768 177.584 -0.201 0.000 1.164 343 A CA 1.535 53.392 52.037 -0.299 0.000 0.644 343 A CB -0.906 17.814 19.000 -0.465 0.000 0.805 343 A HN 0.425 nan 8.150 nan 0.000 0.449 344 G N -1.145 107.533 108.800 -0.202 0.000 2.650 344 G HA2 0.001 3.962 3.960 0.001 0.000 0.214 344 G HA3 0.001 3.962 3.960 0.001 0.000 0.214 344 G C 1.400 176.204 174.900 -0.160 0.000 1.136 344 G CA 0.647 45.651 45.100 -0.160 0.000 0.789 344 G HN 0.485 nan 8.290 nan 0.000 0.536 345 M N 0.258 119.740 119.600 -0.197 0.000 2.476 345 M HA 0.226 4.707 4.480 0.001 0.000 0.262 345 M C 1.413 177.646 176.300 -0.112 0.000 1.079 345 M CA 0.861 56.058 55.300 -0.172 0.000 1.104 345 M CB -0.036 32.439 32.600 -0.209 0.000 1.409 345 M HN 0.331 nan 8.290 nan 0.000 0.467 346 G N -0.885 107.855 108.800 -0.099 0.000 2.526 346 G HA2 0.133 4.094 3.960 0.001 0.000 0.250 346 G HA3 0.133 4.094 3.960 0.001 0.000 0.250 346 G C 0.294 175.161 174.900 -0.055 0.000 1.289 346 G CA -0.552 44.508 45.100 -0.068 0.000 0.947 346 G HN 0.640 nan 8.290 nan 0.000 0.517 347 G N -1.513 107.266 108.800 -0.035 0.000 2.213 347 G HA2 -0.258 3.703 3.960 0.001 0.000 0.236 347 G HA3 -0.258 3.703 3.960 0.001 0.000 0.236 347 G C 0.823 175.712 174.900 -0.018 0.000 0.991 347 G CA 1.131 46.220 45.100 -0.019 0.000 0.629 347 G HN 1.441 nan 8.290 nan 0.000 0.517 348 N N 0.887 119.570 118.700 -0.027 0.000 2.322 348 N HA 0.121 4.862 4.740 0.001 0.000 0.194 348 N C -0.125 175.373 175.510 -0.021 0.000 1.126 348 N CA 0.871 53.908 53.050 -0.021 0.000 0.845 348 N CB 0.532 39.005 38.487 -0.023 0.000 0.976 348 N HN 0.419 nan 8.380 nan 0.000 0.475 349 T N 1.271 115.809 114.554 -0.026 0.000 2.792 349 T HA 0.251 4.602 4.350 0.001 0.000 0.280 349 T C -0.244 174.429 174.700 -0.044 0.000 0.990 349 T CA -0.568 61.512 62.100 -0.034 0.000 0.960 349 T CB 2.157 71.005 68.868 -0.033 0.000 0.939 349 T HN -0.071 nan 8.240 nan 0.000 0.439 350 L N 5.393 126.576 121.223 -0.067 0.000 2.456 350 L HA 0.352 4.692 4.340 0.001 0.000 0.277 350 L C -0.464 176.349 176.870 -0.095 0.000 1.124 350 L CA 0.102 54.879 54.840 -0.105 0.000 0.880 350 L CB -0.472 41.467 42.059 -0.200 0.000 1.192 350 L HN 0.553 nan 8.230 nan 0.000 0.463 351 L N 4.349 125.528 121.223 -0.073 0.000 2.436 351 L HA 0.200 4.540 4.340 0.001 0.000 0.265 351 L C 1.153 177.984 176.870 -0.066 0.000 1.168 351 L CA -0.707 54.099 54.840 -0.057 0.000 0.815 351 L CB 0.430 42.467 42.059 -0.037 0.000 1.109 351 L HN 0.561 nan 8.230 nan 0.000 0.462 352 D N 1.523 121.892 120.400 -0.051 0.000 2.133 352 D HA -0.176 4.465 4.640 0.001 0.000 0.195 352 D C 1.898 178.173 176.300 -0.042 0.000 0.997 352 D CA 1.750 55.721 54.000 -0.048 0.000 0.840 352 D CB 0.068 40.849 40.800 -0.033 0.000 0.947 352 D HN 0.695 nan 8.370 nan 0.000 0.452 353 A N 0.637 123.437 122.820 -0.033 0.000 1.969 353 A HA -0.160 4.161 4.320 0.001 0.000 0.218 353 A C 2.053 179.615 177.584 -0.036 0.000 1.169 353 A CA 1.259 53.280 52.037 -0.026 0.000 0.635 353 A CB -0.361 18.630 19.000 -0.015 0.000 0.810 353 A HN 0.202 nan 8.150 nan 0.000 0.445 354 E N -0.640 119.533 120.200 -0.046 0.000 2.046 354 E HA -0.151 4.199 4.350 0.001 0.000 0.190 354 E C 2.284 178.851 176.600 -0.057 0.000 0.982 354 E CA 0.958 57.324 56.400 -0.057 0.000 0.800 354 E CB -0.182 29.481 29.700 -0.062 0.000 0.756 354 E HN 0.562 nan 8.360 nan 0.000 0.449 355 R N 0.746 121.197 120.500 -0.082 0.000 2.083 355 R HA -0.172 4.169 4.340 0.001 0.000 0.237 355 R C 2.252 178.545 176.300 -0.011 0.000 1.137 355 R CA 1.476 57.525 56.100 -0.084 0.000 0.951 355 R CB -0.235 29.985 30.300 -0.132 0.000 0.851 355 R HN 0.170 nan 8.270 nan 0.000 0.434 356 A N 0.507 123.312 122.820 -0.025 0.000 1.930 356 A HA -0.074 4.246 4.320 0.001 0.000 0.217 356 A C 2.319 179.890 177.584 -0.022 0.000 1.175 356 A CA 1.578 53.605 52.037 -0.016 0.000 0.627 356 A CB -0.649 18.339 19.000 -0.020 0.000 0.815 356 A HN 0.540 nan 8.150 nan 0.000 0.443 357 A N -0.093 122.705 122.820 -0.038 0.000 1.933 357 A HA -0.073 4.248 4.320 0.001 0.000 0.218 357 A C 2.088 179.638 177.584 -0.057 0.000 1.175 357 A CA 1.572 53.571 52.037 -0.062 0.000 0.628 357 A CB -0.552 18.397 19.000 -0.085 0.000 0.814 357 A HN 0.507 nan 8.150 nan 0.000 0.444 358 I N -0.510 120.045 120.570 -0.025 0.000 2.353 358 I HA -0.140 4.031 4.170 0.001 0.000 0.248 358 I C 2.149 178.263 176.117 -0.005 0.000 1.119 358 I CA 0.858 62.152 61.300 -0.010 0.000 1.417 358 I CB -0.309 37.734 38.000 0.072 0.000 1.078 358 I HN 0.193 nan 8.210 nan 0.000 0.421 359 E N 1.092 121.304 120.200 0.020 0.000 2.209 359 E HA -0.231 4.120 4.350 0.001 0.000 0.196 359 E C 1.885 178.479 176.600 -0.010 0.000 0.993 359 E CA 1.036 57.443 56.400 0.012 0.000 0.819 359 E CB -0.345 29.370 29.700 0.024 0.000 0.745 359 E HN 0.558 nan 8.360 nan 0.000 0.477 360 E N 0.012 120.200 120.200 -0.019 0.000 2.265 360 E HA -0.130 4.221 4.350 0.001 0.000 0.196 360 E C 1.634 178.218 176.600 -0.027 0.000 0.996 360 E CA 0.520 56.906 56.400 -0.023 0.000 0.832 360 E CB 0.068 29.749 29.700 -0.032 0.000 0.756 360 E HN 0.219 nan 8.360 nan 0.000 0.491 361 I N -0.074 120.475 120.570 -0.035 0.000 3.035 361 I HA -0.099 4.072 4.170 0.001 0.000 0.271 361 I C 2.236 178.329 176.117 -0.042 0.000 1.190 361 I CA 0.492 61.767 61.300 -0.041 0.000 1.472 361 I CB -0.858 37.111 38.000 -0.052 0.000 1.116 361 I HN -0.035 nan 8.210 nan 0.000 0.443 362 V N 2.760 122.651 119.914 -0.037 0.000 2.324 362 V HA -0.187 3.934 4.120 0.001 0.000 0.250 362 V C -0.064 176.009 176.094 -0.035 0.000 1.060 362 V CA 2.217 64.494 62.300 -0.038 0.000 1.042 362 V CB -1.975 29.827 31.823 -0.034 0.000 0.650 362 V HN 0.273 nan 8.190 nan 0.000 0.450 363 P HA -0.133 nan 4.420 nan 0.000 0.219 363 P C 1.752 179.029 177.300 -0.038 0.000 1.146 363 P CA 1.265 64.349 63.100 -0.027 0.000 0.808 363 P CB -0.122 31.567 31.700 -0.019 0.000 0.779 364 L N -1.769 119.424 121.223 -0.050 0.000 2.275 364 L HA -0.118 4.223 4.340 0.001 0.000 0.215 364 L C 2.227 179.040 176.870 -0.095 0.000 1.119 364 L CA 0.943 55.736 54.840 -0.078 0.000 0.790 364 L CB -0.997 41.009 42.059 -0.089 0.000 0.919 364 L HN 0.017 nan 8.230 nan 0.000 0.443 365 L N 0.279 121.460 121.223 -0.071 0.000 2.127 365 L HA -0.182 4.159 4.340 0.001 0.000 0.211 365 L C 2.891 179.726 176.870 -0.059 0.000 1.089 365 L CA 0.994 55.796 54.840 -0.064 0.000 0.757 365 L CB -0.747 41.287 42.059 -0.042 0.000 0.899 365 L HN 0.256 nan 8.230 nan 0.000 0.434 366 A N -0.339 122.451 122.820 -0.049 0.000 2.076 366 A HA -0.207 4.114 4.320 0.001 0.000 0.220 366 A C 1.682 179.237 177.584 -0.047 0.000 1.160 366 A CA 1.815 53.830 52.037 -0.036 0.000 0.653 366 A CB -0.357 18.628 19.000 -0.025 0.000 0.801 366 A HN 0.390 nan 8.150 nan 0.000 0.455 367 D N -0.700 119.647 120.400 -0.088 0.000 2.339 367 D HA 0.206 4.846 4.640 0.001 0.000 0.217 367 D C 0.742 176.913 176.300 -0.215 0.000 1.050 367 D CA 0.035 53.962 54.000 -0.122 0.000 0.856 367 D CB 0.110 40.826 40.800 -0.140 0.000 0.922 367 D HN 0.469 nan 8.370 nan 0.000 0.518 368 I N 0.000 120.462 120.570 -0.180 0.000 2.984 368 I HA 0.000 4.171 4.170 0.001 0.000 0.288 368 I CA 0.000 61.219 61.300 -0.135 0.000 1.566 368 I CB 0.000 37.984 38.000 -0.026 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494