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 2c04_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGD 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 1 M HA 0.000 4.377 4.480 -0.172 0.000 0.227 1 M C 0.000 176.208 176.300 -0.153 0.000 1.140 1 M CA 0.000 55.155 55.300 -0.241 0.000 0.988 1 M CB 0.000 32.314 32.600 -0.477 0.000 1.302 2 F N 0.757 120.711 119.950 0.007 0.000 3.090 2 F HA -0.381 4.263 4.527 -0.002 -0.119 0.282 2 F C 0.615 176.412 175.800 -0.004 0.000 0.923 2 F CA 0.234 58.234 58.000 -0.001 0.000 0.977 2 F CB -3.463 35.535 39.000 -0.004 0.000 0.954 2 F HN 0.595 9.033 8.300 0.231 0.000 0.695 3 Q N -1.830 118.055 119.800 0.143 0.000 2.118 3 Q HA -0.541 3.836 4.340 0.062 0.000 0.211 3 Q C 1.893 177.935 176.000 0.071 0.000 0.998 3 Q CA 3.096 58.946 55.803 0.077 0.000 0.872 3 Q CB -0.622 28.145 28.738 0.048 0.000 0.925 3 Q HN -0.262 8.001 8.270 0.126 0.083 0.414 4 Q N 0.338 120.179 119.800 0.069 0.000 2.030 4 Q HA -0.346 4.013 4.340 0.031 0.000 0.204 4 Q C 2.281 178.302 176.000 0.035 0.000 0.986 4 Q CA 3.304 59.131 55.803 0.040 0.000 0.843 4 Q CB -0.324 28.429 28.738 0.025 0.000 0.904 4 Q HN -0.653 7.665 8.270 0.080 -0.001 0.420 5 L N -1.244 120.008 121.223 0.047 0.000 2.046 5 L HA -0.279 4.059 4.340 -0.003 0.000 0.208 5 L C 1.577 178.476 176.870 0.048 0.000 1.077 5 L CA 3.188 58.044 54.840 0.027 0.000 0.747 5 L CB -0.322 41.744 42.059 0.011 0.000 0.896 5 L HN -0.491 7.778 8.230 0.066 0.000 0.432 6 S N 0.462 116.213 115.700 0.085 0.000 2.359 6 S HA -0.319 4.416 4.470 0.073 -0.222 0.224 6 S C 1.892 176.519 174.600 0.045 0.000 1.035 6 S CA 3.553 61.795 58.200 0.070 0.000 1.018 6 S CB -0.771 62.470 63.200 0.068 0.000 0.876 6 S HN 0.606 8.865 8.310 0.115 0.119 0.448 7 A N 1.761 124.604 122.820 0.038 0.000 1.877 7 A HA -0.398 3.938 4.320 0.026 0.000 0.216 7 A C 1.753 179.350 177.584 0.022 0.000 1.186 7 A CA 3.368 55.421 52.037 0.027 0.000 0.620 7 A CB -0.689 18.324 19.000 0.023 0.000 0.822 7 A HN 0.215 8.389 8.150 0.041 0.000 0.443 8 R N -0.627 119.883 120.500 0.017 0.000 2.075 8 R HA -0.246 4.100 4.340 0.010 0.000 0.232 8 R C 2.472 178.779 176.300 0.012 0.000 1.126 8 R CA 3.213 59.319 56.100 0.010 0.000 0.963 8 R CB 0.036 30.335 30.300 -0.001 0.000 0.858 8 R HN -0.375 7.839 8.270 0.018 0.067 0.435 9 L N -0.735 120.498 121.223 0.016 0.000 2.056 9 L HA -0.418 3.935 4.340 0.021 0.000 0.207 9 L C 2.025 178.918 176.870 0.037 0.000 1.078 9 L CA 3.283 58.138 54.840 0.025 0.000 0.749 9 L CB -0.347 41.730 42.059 0.030 0.000 0.901 9 L HN 0.521 8.649 8.230 0.016 0.111 0.433 10 Q N -1.257 118.565 119.800 0.036 0.000 2.084 10 Q HA -0.430 3.936 4.340 0.042 0.000 0.202 10 Q C 2.495 178.512 176.000 0.028 0.000 0.978 10 Q CA 3.765 59.590 55.803 0.036 0.000 0.844 10 Q CB -0.238 28.520 28.738 0.033 0.000 0.898 10 Q HN 0.631 8.813 8.270 0.035 0.110 0.426 11 E N 0.473 120.687 120.200 0.023 0.000 2.077 11 E HA -0.333 4.027 4.350 0.018 0.000 0.193 11 E C 1.974 178.586 176.600 0.020 0.000 0.989 11 E CA 2.801 59.212 56.400 0.019 0.000 0.800 11 E CB -0.598 29.110 29.700 0.014 0.000 0.746 11 E HN 0.353 8.607 8.360 0.022 0.119 0.452 12 A N -1.469 121.365 122.820 0.023 0.000 1.930 12 A HA -0.167 4.166 4.320 0.021 0.000 0.217 12 A C 1.480 179.082 177.584 0.030 0.000 1.175 12 A CA 2.642 54.694 52.037 0.025 0.000 0.627 12 A CB -0.242 18.774 19.000 0.027 0.000 0.815 12 A HN 0.066 7.956 8.150 0.023 0.274 0.443 13 I N -2.951 117.641 120.570 0.036 0.000 2.277 13 I HA -0.221 3.972 4.170 0.039 0.000 0.243 13 I C 2.553 178.687 176.117 0.028 0.000 1.094 13 I CA 2.691 64.014 61.300 0.037 0.000 1.393 13 I CB 0.448 38.477 38.000 0.048 0.000 1.078 13 I HN 0.050 8.102 8.210 0.038 0.181 0.417 14 G N -0.377 108.438 108.800 0.025 0.000 2.422 14 G HA2 -0.285 3.720 3.960 0.018 0.000 0.218 14 G HA3 -0.285 3.686 3.960 0.018 0.000 0.218 14 G C 0.847 175.756 174.900 0.016 0.000 1.146 14 G CA 1.948 47.060 45.100 0.019 0.000 0.769 14 G HN 0.846 9.007 8.290 0.027 0.146 0.547 15 R N 0.034 120.544 120.500 0.016 0.000 2.241 15 R HA -0.297 4.050 4.340 0.011 0.000 0.224 15 R C 1.075 177.382 176.300 0.012 0.000 1.101 15 R CA 2.524 58.632 56.100 0.013 0.000 0.995 15 R CB -0.636 29.672 30.300 0.012 0.000 0.870 15 R HN 0.107 8.388 8.270 0.017 0.000 0.463 16 L N -3.837 117.395 121.223 0.014 0.000 2.313 16 L HA -0.129 4.218 4.340 0.012 0.000 0.214 16 L C 0.679 177.555 176.870 0.010 0.000 1.119 16 L CA 0.809 55.657 54.840 0.013 0.000 0.809 16 L CB -0.040 42.029 42.059 0.016 0.000 0.933 16 L HN -0.502 7.531 8.230 0.017 0.206 0.449 17 R N -0.162 120.344 120.500 0.010 0.000 2.537 17 R HA -0.238 4.107 4.340 0.007 0.000 0.280 17 R C 0.433 176.736 176.300 0.006 0.000 1.058 17 R CA 1.521 57.625 56.100 0.008 0.000 1.057 17 R CB 0.565 30.870 30.300 0.008 0.000 0.973 17 R HN 0.323 8.278 8.270 0.011 0.322 0.438 18 G N 3.853 112.655 108.800 0.004 0.000 2.168 18 G HA2 -0.305 3.656 3.960 0.003 0.000 0.257 18 G HA3 -0.305 3.656 3.960 0.002 0.000 0.257 18 G C 0.245 175.147 174.900 0.003 0.000 0.997 18 G CA 1.216 46.318 45.100 0.003 0.000 0.708 18 G HN 0.623 8.915 8.290 0.003 0.000 0.520 19 R N -1.212 119.290 120.500 0.004 0.000 2.362 19 R HA 0.098 4.440 4.340 0.004 0.000 0.227 19 R C -0.230 176.073 176.300 0.004 0.000 0.905 19 R CA -1.616 54.487 56.100 0.004 0.000 1.067 19 R CB 0.437 30.740 30.300 0.005 0.000 1.078 19 R HN -0.792 7.404 8.270 0.005 0.077 0.516 20 G N -1.258 107.544 108.800 0.003 0.000 2.587 20 G HA2 -0.369 3.592 3.960 0.002 0.000 0.212 20 G HA3 -0.369 3.592 3.960 0.002 0.000 0.212 20 G C -1.379 173.523 174.900 0.003 0.000 1.327 20 G CA -0.561 44.541 45.100 0.002 0.000 0.898 20 G HN -0.383 7.847 8.290 0.003 0.061 0.551 21 R N 0.166 120.668 120.500 0.003 0.000 2.734 21 R HA 0.216 4.746 4.340 0.003 -0.188 0.266 21 R C 0.150 176.453 176.300 0.004 0.000 1.044 21 R CA 0.831 56.933 56.100 0.003 0.000 1.128 21 R CB 0.617 30.918 30.300 0.003 0.000 1.010 21 R HN 0.107 8.378 8.270 0.002 0.000 0.461 22 I N -5.465 115.108 120.570 0.005 0.000 2.947 22 I HA 0.545 4.719 4.170 0.006 0.000 0.314 22 I C -0.002 176.119 176.117 0.006 0.000 1.028 22 I CA -2.349 58.955 61.300 0.007 0.000 1.077 22 I CB 2.640 40.646 38.000 0.009 0.000 1.274 22 I HN 0.239 8.452 8.210 0.005 0.000 0.485 23 T N -2.623 111.935 114.554 0.007 0.000 2.912 23 T HA 0.349 4.702 4.350 0.006 0.000 0.280 23 T C 0.843 175.547 174.700 0.007 0.000 0.989 23 T CA -2.392 59.711 62.100 0.006 0.000 0.995 23 T CB 3.432 72.303 68.868 0.006 0.000 1.077 23 T HN 0.408 9.065 8.240 0.007 -0.413 0.531 24 E N 2.053 122.257 120.200 0.007 0.000 2.110 24 E HA -0.412 3.943 4.350 0.008 0.000 0.193 24 E C 1.135 177.740 176.600 0.009 0.000 0.988 24 E CA 4.000 60.405 56.400 0.008 0.000 0.804 24 E CB -0.413 29.291 29.700 0.006 0.000 0.745 24 E HN 0.447 8.810 8.360 0.006 0.000 0.458 25 E N -1.133 119.072 120.200 0.008 0.000 2.051 25 E HA -0.359 3.996 4.350 0.009 0.000 0.192 25 E C 2.150 178.756 176.600 0.010 0.000 0.991 25 E CA 3.244 59.649 56.400 0.008 0.000 0.799 25 E CB -0.198 29.507 29.700 0.007 0.000 0.748 25 E HN -0.261 8.096 8.360 0.007 0.007 0.449 26 D N -0.283 120.123 120.400 0.010 0.000 2.178 26 D HA -0.191 4.456 4.640 0.012 0.000 0.202 26 D C 2.342 178.651 176.300 0.015 0.000 0.974 26 D CA 2.726 56.733 54.000 0.012 0.000 0.841 26 D CB -0.051 40.755 40.800 0.011 0.000 0.953 26 D HN -0.470 7.906 8.370 0.009 0.000 0.478 27 L N 0.828 122.060 121.223 0.015 0.000 2.027 27 L HA -0.250 4.103 4.340 0.021 0.000 0.206 27 L C 1.355 178.237 176.870 0.021 0.000 1.074 27 L CA 2.986 57.837 54.840 0.018 0.000 0.745 27 L CB -0.225 41.844 42.059 0.016 0.000 0.898 27 L HN -0.057 8.135 8.230 0.013 0.046 0.433 28 K N -1.311 119.099 120.400 0.018 0.000 2.147 28 K HA -0.392 3.941 4.320 0.021 0.000 0.205 28 K C 2.451 179.062 176.600 0.019 0.000 1.049 28 K CA 3.699 59.997 56.287 0.018 0.000 0.936 28 K CB -0.420 32.089 32.500 0.014 0.000 0.722 28 K HN 0.360 8.614 8.250 0.015 0.005 0.446 29 A N -1.158 121.672 122.820 0.017 0.000 1.898 29 A HA -0.143 4.186 4.320 0.014 0.000 0.216 29 A C 2.196 179.792 177.584 0.020 0.000 1.181 29 A CA 3.330 55.377 52.037 0.016 0.000 0.620 29 A CB -0.856 18.152 19.000 0.013 0.000 0.819 29 A HN 0.474 8.535 8.150 0.016 0.099 0.442 30 T N 2.432 117.001 114.554 0.024 0.000 2.708 30 T HA -0.331 4.036 4.350 0.028 0.000 0.266 30 T C 1.960 176.684 174.700 0.040 0.000 1.037 30 T CA 5.425 67.544 62.100 0.031 0.000 1.146 30 T CB -0.385 68.504 68.868 0.034 0.000 0.865 30 T HN -0.341 7.913 8.240 0.023 0.000 0.435 31 L N 0.577 121.827 121.223 0.045 0.000 2.027 31 L HA -0.377 4.011 4.340 0.080 0.000 0.206 31 L C 1.516 178.414 176.870 0.047 0.000 1.074 31 L CA 3.331 58.206 54.840 0.060 0.000 0.745 31 L CB -0.546 41.548 42.059 0.057 0.000 0.898 31 L HN 0.403 8.656 8.230 0.039 0.000 0.433 32 R N -0.572 119.947 120.500 0.031 0.000 2.096 32 R HA -0.495 3.857 4.340 0.021 0.000 0.240 32 R C 1.869 178.177 176.300 0.013 0.000 1.139 32 R CA 4.130 60.242 56.100 0.020 0.000 0.952 32 R CB -0.335 29.974 30.300 0.014 0.000 0.854 32 R HN 0.127 8.415 8.270 0.029 0.000 0.436 33 E N -1.032 119.177 120.200 0.014 0.000 2.110 33 E HA -0.239 4.111 4.350 0.001 0.000 0.193 33 E C 2.409 179.011 176.600 0.003 0.000 0.988 33 E CA 2.562 58.966 56.400 0.007 0.000 0.804 33 E CB -0.516 29.190 29.700 0.010 0.000 0.745 33 E HN -0.129 8.242 8.360 0.018 0.000 0.458 34 I N 1.227 121.808 120.570 0.018 0.000 2.202 34 I HA -0.533 3.632 4.170 -0.008 0.000 0.242 34 I C 1.729 177.831 176.117 -0.024 0.000 1.091 34 I CA 4.763 66.070 61.300 0.011 0.000 1.368 34 I CB -0.127 37.919 38.000 0.076 0.000 1.058 34 I HN 0.409 8.367 8.210 0.031 0.271 0.410 35 R N 0.462 120.966 120.500 0.006 0.000 2.083 35 R HA -0.416 3.907 4.340 -0.028 0.000 0.237 35 R C 2.079 178.353 176.300 -0.043 0.000 1.137 35 R CA 4.162 60.254 56.100 -0.013 0.000 0.951 35 R CB -0.137 30.171 30.300 0.014 0.000 0.851 35 R HN 0.682 8.740 8.270 0.029 0.229 0.434 36 R N -2.153 118.330 120.500 -0.028 0.000 2.092 36 R HA -0.261 4.058 4.340 -0.035 0.000 0.231 36 R C 2.147 178.418 176.300 -0.048 0.000 1.119 36 R CA 3.565 59.645 56.100 -0.033 0.000 0.970 36 R CB -0.293 29.995 30.300 -0.020 0.000 0.864 36 R HN 0.653 8.789 8.270 -0.016 0.125 0.440 37 A N 0.721 123.510 122.820 -0.052 0.000 1.883 37 A HA -0.249 4.040 4.320 -0.051 0.000 0.217 37 A C 2.186 179.710 177.584 -0.099 0.000 1.186 37 A CA 3.037 55.036 52.037 -0.063 0.000 0.624 37 A CB -0.562 18.404 19.000 -0.056 0.000 0.822 37 A HN 0.337 8.273 8.150 -0.043 0.188 0.444 38 L N -1.727 119.413 121.223 -0.138 0.000 2.012 38 L HA -0.535 3.678 4.340 -0.212 0.000 0.210 38 L C 2.693 179.476 176.870 -0.144 0.000 1.073 38 L CA 3.188 57.915 54.840 -0.190 0.000 0.748 38 L CB -0.358 41.543 42.059 -0.263 0.000 0.891 38 L HN 0.463 8.420 8.230 -0.135 0.191 0.431 39 M N -0.229 119.307 119.600 -0.107 0.000 2.080 39 M HA -0.286 4.139 4.480 -0.092 0.000 0.260 39 M C 3.008 179.261 176.300 -0.079 0.000 1.068 39 M CA 0.739 55.988 55.300 -0.085 0.000 1.109 39 M CB -1.482 31.082 32.600 -0.061 0.000 1.342 39 M HN 0.822 8.928 8.290 -0.097 0.125 0.405 40 D N -1.114 119.244 120.400 -0.070 0.000 2.310 40 D HA -0.138 4.471 4.640 -0.053 0.000 0.212 40 D C 0.488 176.745 176.300 -0.073 0.000 0.965 40 D CA 2.673 56.638 54.000 -0.059 0.000 0.879 40 D CB -0.003 40.770 40.800 -0.045 0.000 0.921 40 D HN 0.530 8.742 8.370 -0.068 0.117 0.510 41 A N -3.023 119.738 122.820 -0.099 0.000 2.302 41 A HA -0.101 4.152 4.320 -0.111 0.000 0.219 41 A C -1.216 176.281 177.584 -0.145 0.000 1.243 41 A CA -0.451 51.509 52.037 -0.128 0.000 0.856 41 A CB -0.278 18.623 19.000 -0.165 0.000 0.893 41 A HN -0.547 7.279 8.150 -0.107 0.260 0.491 42 D N -5.335 114.996 120.400 -0.115 0.000 2.945 42 D HA -0.389 4.253 4.640 -0.090 -0.056 0.225 42 D C -0.934 175.289 176.300 -0.128 0.000 1.158 42 D CA 1.062 54.997 54.000 -0.108 0.000 0.805 42 D CB -1.208 39.533 40.800 -0.097 0.000 1.098 42 D HN 0.209 8.152 8.370 -0.099 0.367 0.426 43 V N -0.516 119.311 119.914 -0.146 0.000 2.637 43 V HA -0.228 3.796 4.120 -0.160 0.000 0.296 43 V C 0.069 176.084 176.094 -0.132 0.000 1.046 43 V CA 0.522 62.728 62.300 -0.156 0.000 1.066 43 V CB 0.231 31.942 31.823 -0.188 0.000 0.968 43 V HN -0.121 7.842 8.190 -0.149 0.138 0.483 44 N N 5.977 124.595 118.700 -0.137 0.000 2.356 44 N HA -0.316 4.587 4.740 -0.102 -0.225 0.252 44 N C 0.826 176.253 175.510 -0.139 0.000 1.241 44 N CA 0.935 53.906 53.050 -0.132 0.000 0.861 44 N CB 1.809 40.200 38.487 -0.161 0.000 1.075 44 N HN -0.200 8.095 8.380 -0.142 0.000 0.461 45 L N 6.014 127.178 121.223 -0.099 0.000 2.012 45 L HA -0.172 4.124 4.340 -0.073 0.000 0.210 45 L C 1.693 178.514 176.870 -0.081 0.000 1.073 45 L CA 3.325 58.120 54.840 -0.076 0.000 0.748 45 L CB 0.026 42.057 42.059 -0.047 0.000 0.891 45 L HN 0.622 8.803 8.230 -0.082 0.000 0.431 46 E N -1.799 118.345 120.200 -0.093 0.000 2.110 46 E HA -0.401 3.934 4.350 -0.025 0.000 0.193 46 E C 2.123 178.621 176.600 -0.169 0.000 0.988 46 E CA 3.028 59.382 56.400 -0.077 0.000 0.804 46 E CB -0.209 29.488 29.700 -0.005 0.000 0.745 46 E HN -0.532 7.880 8.360 -0.088 -0.104 0.458 47 V N 0.337 120.021 119.914 -0.383 0.000 2.343 47 V HA -0.370 3.478 4.120 -0.453 0.000 0.247 47 V C 2.118 178.162 176.094 -0.084 0.000 1.051 47 V CA 3.102 65.172 62.300 -0.383 0.000 1.036 47 V CB -0.888 30.681 31.823 -0.422 0.000 0.654 47 V HN -0.594 7.687 8.190 -0.400 -0.331 0.451 48 A N 0.132 122.900 122.820 -0.088 0.000 1.902 48 A HA -0.459 3.832 4.320 -0.048 0.000 0.217 48 A C 1.707 179.321 177.584 0.048 0.000 1.181 48 A CA 3.504 55.518 52.037 -0.037 0.000 0.623 48 A CB -0.540 18.413 19.000 -0.078 0.000 0.818 48 A HN 0.962 8.936 8.150 -0.124 0.102 0.443 49 R N -3.013 117.500 120.500 0.022 0.000 2.075 49 R HA -0.407 3.962 4.340 0.047 0.000 0.232 49 R C 2.138 178.483 176.300 0.075 0.000 1.126 49 R CA 3.919 60.045 56.100 0.044 0.000 0.963 49 R CB -0.295 30.020 30.300 0.023 0.000 0.858 49 R HN -0.054 8.210 8.270 -0.010 0.000 0.435 50 D N -0.266 120.183 120.400 0.082 0.000 2.144 50 D HA -0.202 4.484 4.640 0.077 0.000 0.200 50 D C 2.135 178.505 176.300 0.115 0.000 0.978 50 D CA 3.258 57.317 54.000 0.098 0.000 0.833 50 D CB -0.526 40.355 40.800 0.135 0.000 0.961 50 D HN -0.133 8.274 8.370 0.061 0.000 0.470 51 F N 1.759 121.710 119.950 0.001 0.000 2.102 51 F HA -0.388 4.147 4.527 0.015 0.000 0.298 51 F C 0.895 176.700 175.800 0.008 0.000 1.105 51 F CA 3.777 61.780 58.000 0.005 0.000 1.239 51 F CB 0.420 39.414 39.000 -0.010 0.000 0.991 51 F HN 0.482 8.831 8.300 0.273 0.116 0.474 52 V N -3.804 116.291 119.914 0.302 0.000 2.809 52 V HA -0.362 3.900 4.120 0.237 0.000 0.256 52 V C 1.788 177.921 176.094 0.066 0.000 1.080 52 V CA 3.347 65.763 62.300 0.194 0.000 1.102 52 V CB -1.150 30.767 31.823 0.157 0.000 0.705 52 V HN -0.296 8.067 8.190 0.290 0.000 0.475 53 E N 1.638 121.866 120.200 0.047 0.000 2.072 53 E HA -0.309 4.048 4.350 0.013 0.000 0.190 53 E C 1.361 177.940 176.600 -0.035 0.000 0.982 53 E CA 3.055 59.461 56.400 0.011 0.000 0.803 53 E CB -0.333 29.379 29.700 0.021 0.000 0.755 53 E HN -0.177 8.125 8.360 0.069 0.100 0.453 54 R N -0.476 119.971 120.500 -0.087 0.000 2.066 54 R HA -0.292 3.989 4.340 -0.099 0.000 0.232 54 R C 2.301 178.494 176.300 -0.179 0.000 1.131 54 R CA 3.352 59.361 56.100 -0.151 0.000 0.955 54 R CB -0.029 30.128 30.300 -0.239 0.000 0.851 54 R HN 0.052 8.174 8.270 -0.082 0.100 0.432 55 V N -0.538 119.227 119.914 -0.249 0.000 2.255 55 V HA -0.458 3.556 4.120 -0.177 0.000 0.247 55 V C 1.551 177.609 176.094 -0.061 0.000 1.051 55 V CA 4.403 66.606 62.300 -0.162 0.000 1.018 55 V CB -0.498 31.261 31.823 -0.108 0.000 0.641 55 V HN 0.298 8.297 8.190 -0.318 0.000 0.445 56 R N -0.257 120.225 120.500 -0.030 0.000 2.115 56 R HA -0.570 3.770 4.340 -0.000 0.000 0.239 56 R C 1.917 178.207 176.300 -0.017 0.000 1.133 56 R CA 4.030 60.124 56.100 -0.009 0.000 0.935 56 R CB -0.120 30.182 30.300 0.003 0.000 0.853 56 R HN -0.147 8.121 8.270 -0.024 -0.012 0.433 57 E N -1.901 118.283 120.200 -0.027 0.000 2.058 57 E HA -0.400 3.941 4.350 -0.015 0.000 0.194 57 E C 2.822 179.408 176.600 -0.025 0.000 0.997 57 E CA 3.306 59.692 56.400 -0.023 0.000 0.801 57 E CB -0.274 29.410 29.700 -0.027 0.000 0.746 57 E HN -0.201 8.054 8.360 -0.033 0.085 0.450 58 E N -1.782 118.395 120.200 -0.038 0.000 2.107 58 E HA -0.259 4.076 4.350 -0.025 0.000 0.191 58 E C 2.202 178.790 176.600 -0.020 0.000 0.982 58 E CA 2.088 58.469 56.400 -0.032 0.000 0.809 58 E CB -0.494 29.178 29.700 -0.046 0.000 0.756 58 E HN -0.067 8.262 8.360 -0.052 0.000 0.459 59 A N 0.257 123.066 122.820 -0.018 0.000 1.902 59 A HA -0.249 4.068 4.320 -0.005 0.000 0.217 59 A C 1.990 179.571 177.584 -0.005 0.000 1.181 59 A CA 3.320 55.353 52.037 -0.007 0.000 0.623 59 A CB -0.618 18.382 19.000 0.001 0.000 0.818 59 A HN 0.560 8.696 8.150 -0.024 0.000 0.443 60 L N -2.738 118.481 121.223 -0.006 0.000 2.131 60 L HA -0.359 3.980 4.340 -0.002 0.000 0.210 60 L C 3.075 179.942 176.870 -0.005 0.000 1.092 60 L CA 2.419 57.257 54.840 -0.004 0.000 0.759 60 L CB -0.494 41.563 42.059 -0.003 0.000 0.903 60 L HN 0.084 8.312 8.230 -0.007 -0.003 0.435 61 G N -2.617 106.179 108.800 -0.007 0.000 2.471 61 G HA2 -0.209 3.746 3.960 -0.009 0.000 0.219 61 G HA3 -0.209 3.747 3.960 -0.006 0.000 0.219 61 G C -0.076 174.820 174.900 -0.006 0.000 1.125 61 G CA 1.276 46.372 45.100 -0.007 0.000 0.775 61 G HN -0.115 7.954 8.290 -0.009 0.215 0.548 62 K N -0.857 119.540 120.400 -0.006 0.000 2.446 62 K HA 0.063 4.379 4.320 -0.006 0.000 0.203 62 K C -1.339 175.259 176.600 -0.004 0.000 1.027 62 K CA -0.855 55.429 56.287 -0.006 0.000 1.166 62 K CB -0.202 32.294 32.500 -0.006 0.000 0.869 62 K HN -0.433 7.662 8.250 -0.006 0.150 0.504 63 Q N -3.175 116.623 119.800 -0.003 0.000 2.451 63 Q HA -0.440 4.063 4.340 -0.002 -0.164 0.305 63 Q C 0.390 176.389 176.000 -0.001 0.000 1.345 63 Q CA 0.925 56.727 55.803 -0.002 0.000 0.854 63 Q CB -2.696 26.041 28.738 -0.002 0.000 1.162 63 Q HN 0.068 8.002 8.270 -0.003 0.333 0.440 64 V N 0.112 120.026 119.914 0.000 0.000 2.469 64 V HA -0.388 3.733 4.120 0.001 0.000 0.251 64 V C 0.938 177.034 176.094 0.003 0.000 1.064 64 V CA 3.196 65.497 62.300 0.002 0.000 1.066 64 V CB -0.082 31.744 31.823 0.005 0.000 0.667 64 V HN 0.142 8.342 8.190 -0.000 -0.011 0.461 65 L N -3.928 117.297 121.223 0.003 0.000 2.362 65 L HA -0.193 4.150 4.340 0.004 0.000 0.219 65 L C 1.424 178.296 176.870 0.002 0.000 1.134 65 L CA 2.069 56.911 54.840 0.003 0.000 0.807 65 L CB -0.535 41.526 42.059 0.003 0.000 0.927 65 L HN -0.085 8.117 8.230 0.002 0.029 0.447 66 E N -4.824 115.377 120.200 0.001 0.000 2.526 66 E HA 0.073 4.423 4.350 0.001 0.000 0.208 66 E C -1.171 175.428 176.600 -0.000 0.000 0.997 66 E CA -0.735 55.666 56.400 0.000 0.000 0.961 66 E CB 0.690 30.390 29.700 -0.000 0.000 1.030 66 E HN 0.578 8.740 8.360 0.001 0.199 0.483 67 S N -0.021 115.679 115.700 -0.000 0.000 2.564 67 S HA 0.032 4.501 4.470 -0.002 0.000 0.278 67 S C 0.100 174.700 174.600 -0.000 0.000 1.333 67 S CA 0.306 58.506 58.200 -0.001 0.000 1.048 67 S CB 0.156 63.355 63.200 -0.001 0.000 0.900 67 S HN -0.651 7.549 8.310 0.001 0.110 0.505 68 L N 1.741 122.963 121.223 -0.002 0.000 2.591 68 L HA 0.101 4.441 4.340 -0.000 0.000 0.228 68 L C -0.207 176.663 176.870 -0.001 0.000 1.133 68 L CA 0.254 55.093 54.840 -0.001 0.000 0.880 68 L CB -0.373 41.685 42.059 -0.002 0.000 1.033 68 L HN 0.721 8.950 8.230 -0.002 0.000 0.450 69 T N -6.897 107.656 114.554 -0.002 0.000 3.658 69 T HA 0.567 4.916 4.350 -0.001 0.000 0.245 69 T C -1.382 173.318 174.700 -0.000 0.000 1.292 69 T CA -3.153 58.946 62.100 -0.002 0.000 1.598 69 T CB 0.078 68.943 68.868 -0.005 0.000 0.861 69 T HN 0.127 8.308 8.240 -0.002 0.057 0.663 70 P HA -0.116 4.307 4.420 0.005 0.000 0.216 70 P C 0.612 177.918 177.300 0.010 0.000 1.150 70 P CA 2.581 65.685 63.100 0.006 0.000 0.837 70 P CB -0.214 31.490 31.700 0.008 0.000 0.786 71 A N -2.955 119.871 122.820 0.010 0.000 1.972 71 A HA -0.257 4.075 4.320 0.019 0.000 0.219 71 A C 1.906 179.497 177.584 0.012 0.000 1.169 71 A CA 2.865 54.911 52.037 0.014 0.000 0.635 71 A CB -0.717 18.291 19.000 0.013 0.000 0.810 71 A HN 0.395 8.549 8.150 0.008 0.000 0.446 72 E N -1.805 118.397 120.200 0.003 0.000 2.047 72 E HA -0.338 4.007 4.350 -0.008 0.000 0.191 72 E C 2.292 178.888 176.600 -0.006 0.000 0.987 72 E CA 2.961 59.357 56.400 -0.006 0.000 0.799 72 E CB -0.193 29.498 29.700 -0.014 0.000 0.752 72 E HN -0.013 8.341 8.360 0.001 0.007 0.449 73 V N 0.329 120.242 119.914 -0.001 0.000 2.295 73 V HA -0.404 3.712 4.120 -0.006 0.000 0.246 73 V C 1.827 177.928 176.094 0.012 0.000 1.049 73 V CA 3.826 66.126 62.300 0.000 0.000 1.024 73 V CB -0.456 31.367 31.823 0.001 0.000 0.648 73 V HN -0.714 7.463 8.190 -0.000 0.014 0.447 74 I N 0.310 120.893 120.570 0.021 0.000 2.179 74 I HA -0.225 3.965 4.170 0.034 0.000 0.242 74 I C 2.686 178.836 176.117 0.055 0.000 1.088 74 I CA 1.884 63.206 61.300 0.037 0.000 1.357 74 I CB -1.208 36.816 38.000 0.040 0.000 1.051 74 I HN -0.238 7.984 8.210 0.018 -0.001 0.409 75 L N 0.833 122.085 121.223 0.049 0.000 2.021 75 L HA -0.472 3.923 4.340 0.091 0.000 0.215 75 L C 1.085 178.004 176.870 0.081 0.000 1.074 75 L CA 3.789 58.669 54.840 0.066 0.000 0.760 75 L CB -0.728 41.353 42.059 0.036 0.000 0.889 75 L HN 0.017 8.269 8.230 0.036 0.000 0.433 76 A N -3.514 119.324 122.820 0.030 0.000 1.930 76 A HA -0.344 3.956 4.320 -0.034 0.000 0.217 76 A C 1.903 179.541 177.584 0.089 0.000 1.175 76 A CA 3.070 55.114 52.037 0.012 0.000 0.627 76 A CB -0.466 18.514 19.000 -0.034 0.000 0.815 76 A HN 0.158 8.309 8.150 0.013 0.007 0.443 77 T N -1.542 113.050 114.554 0.063 0.000 2.896 77 T HA -0.240 4.130 4.350 0.032 0.000 0.263 77 T C 1.806 176.533 174.700 0.045 0.000 1.050 77 T CA 3.532 65.654 62.100 0.037 0.000 1.140 77 T CB -0.366 68.502 68.868 0.001 0.000 0.877 77 T HN -0.184 7.958 8.240 0.050 0.128 0.457 78 V N 3.418 123.403 119.914 0.118 0.000 2.358 78 V HA -0.381 3.867 4.120 0.213 0.000 0.246 78 V C 1.293 177.543 176.094 0.260 0.000 1.047 78 V CA 4.465 66.897 62.300 0.220 0.000 1.035 78 V CB -0.819 31.157 31.823 0.255 0.000 0.658 78 V HN 0.050 8.312 8.190 0.121 0.000 0.452 79 Y N 0.766 121.121 120.300 0.091 0.000 2.128 79 Y HA -0.578 4.030 4.550 0.097 0.000 0.284 79 Y C 1.203 177.139 175.900 0.060 0.000 1.154 79 Y CA 3.693 61.839 58.100 0.076 0.000 1.149 79 Y CB 0.129 38.616 38.460 0.045 0.000 0.976 79 Y HN 0.006 8.483 8.280 0.329 0.000 0.505 80 E N -0.622 119.747 120.200 0.281 0.000 2.012 80 E HA -0.522 3.927 4.350 0.164 0.000 0.197 80 E C 2.137 178.742 176.600 0.007 0.000 1.007 80 E CA 3.245 59.726 56.400 0.136 0.000 0.816 80 E CB -0.165 29.589 29.700 0.091 0.000 0.762 80 E HN -0.377 8.167 8.360 0.306 0.000 0.451 81 A N -0.746 122.029 122.820 -0.076 0.000 1.917 81 A HA -0.271 3.925 4.320 -0.206 0.000 0.219 81 A C 2.483 180.092 177.584 0.043 0.000 1.182 81 A CA 3.006 54.898 52.037 -0.242 0.000 0.633 81 A CB -0.709 17.757 19.000 -0.890 0.000 0.819 81 A HN -0.109 7.992 8.150 -0.083 0.000 0.448 82 L N -1.470 119.889 121.223 0.227 0.000 2.056 82 L HA -0.300 4.349 4.340 0.516 0.000 0.207 82 L C 1.393 178.326 176.870 0.105 0.000 1.078 82 L CA 2.566 57.592 54.840 0.310 0.000 0.749 82 L CB -0.532 41.666 42.059 0.232 0.000 0.901 82 L HN -0.083 8.244 8.230 0.184 0.013 0.433 83 K N -0.161 120.217 120.400 -0.036 0.000 2.002 83 K HA -0.374 4.039 4.320 -0.080 -0.141 0.209 83 K C 2.068 178.680 176.600 0.021 0.000 1.048 83 K CA 3.415 59.657 56.287 -0.075 0.000 0.930 83 K CB -0.200 32.187 32.500 -0.189 0.000 0.714 83 K HN -0.052 8.145 8.250 -0.088 0.000 0.438 84 E N -1.486 118.731 120.200 0.027 0.000 2.077 84 E HA -0.293 4.219 4.350 0.041 -0.138 0.193 84 E C 2.473 179.118 176.600 0.075 0.000 0.989 84 E CA 2.517 58.943 56.400 0.043 0.000 0.800 84 E CB -0.632 29.081 29.700 0.022 0.000 0.746 84 E HN -0.434 7.934 8.360 0.013 0.000 0.452 85 A N 0.147 123.034 122.820 0.113 0.000 2.024 85 A HA -0.235 4.164 4.320 0.132 0.000 0.220 85 A C 1.602 179.261 177.584 0.125 0.000 1.164 85 A CA 2.912 55.036 52.037 0.144 0.000 0.643 85 A CB -0.496 18.642 19.000 0.231 0.000 0.806 85 A HN -0.055 8.169 8.150 0.123 0.000 0.451 86 L N -8.213 113.095 121.223 0.142 0.000 2.591 86 L HA -0.058 4.402 4.340 0.199 0.000 0.228 86 L C 0.384 177.390 176.870 0.227 0.000 1.133 86 L CA 0.067 55.032 54.840 0.207 0.000 0.880 86 L CB 0.262 42.468 42.059 0.244 0.000 1.033 86 L HN -0.371 7.649 8.230 0.131 0.289 0.450 87 G N -4.782 104.095 108.800 0.129 0.000 2.273 87 G HA2 -0.197 3.837 3.960 0.123 0.000 0.162 87 G HA3 -0.197 3.792 3.960 0.049 0.000 0.162 87 G C 0.763 175.710 174.900 0.077 0.000 1.006 87 G CA -0.265 44.891 45.100 0.094 0.000 0.704 87 G HN -0.335 7.722 8.290 0.104 0.295 0.487 88 G N 1.402 110.244 108.800 0.071 0.000 3.718 88 G HA2 -0.546 3.544 3.960 0.043 0.000 0.224 88 G HA3 -0.546 3.737 3.960 0.038 -0.300 0.224 88 G C -2.135 172.798 174.900 0.054 0.000 1.328 88 G CA 0.823 45.952 45.100 0.049 0.000 0.974 88 G HN 0.444 8.780 8.290 0.077 0.000 0.579 89 E N 1.063 121.305 120.200 0.069 0.000 2.340 89 E HA 0.233 4.632 4.350 0.081 0.000 0.273 89 E C -2.474 174.189 176.600 0.105 0.000 0.891 89 E CA -2.655 53.793 56.400 0.081 0.000 0.757 89 E CB 2.549 32.291 29.700 0.070 0.000 1.231 89 E HN -0.125 8.137 8.360 0.069 0.139 0.439 90 A N 3.053 125.954 122.820 0.135 0.000 2.520 90 A HA -0.064 4.419 4.320 0.093 -0.107 0.245 90 A C -0.752 176.886 177.584 0.089 0.000 1.072 90 A CA 0.554 52.661 52.037 0.117 0.000 0.761 90 A CB 0.496 19.638 19.000 0.236 0.000 1.004 90 A HN 0.246 8.491 8.150 0.158 0.000 0.499 91 R N 3.016 123.560 120.500 0.074 0.000 2.561 91 R HA 0.358 4.766 4.340 0.114 0.000 0.297 91 R C -2.098 174.295 176.300 0.155 0.000 0.969 91 R CA -0.949 55.236 56.100 0.143 0.000 0.879 91 R CB 3.065 33.479 30.300 0.189 0.000 1.178 91 R HN 0.273 8.579 8.270 0.060 0.000 0.445 92 L N 2.199 123.410 121.223 -0.021 0.000 2.354 92 L HA 0.439 4.453 4.340 -0.544 0.000 0.264 92 L C -2.441 174.107 176.870 -0.536 0.000 1.008 92 L CA -3.605 51.029 54.840 -0.344 0.000 0.819 92 L CB 3.163 45.123 42.059 -0.165 0.000 1.339 92 L HN 0.245 8.476 8.230 0.001 0.000 0.420 93 P HA -0.095 3.889 4.420 -0.725 0.000 0.268 93 P C -1.135 176.099 177.300 -0.111 0.000 1.208 93 P CA -0.692 62.019 63.100 -0.648 0.000 0.777 93 P CB 0.508 31.713 31.700 -0.824 0.000 0.875 94 V N 1.248 121.137 119.914 -0.041 0.000 2.530 94 V HA -0.106 4.055 4.120 0.069 0.000 0.282 94 V C -0.123 176.061 176.094 0.149 0.000 1.048 94 V CA -0.048 62.288 62.300 0.061 0.000 0.997 94 V CB 0.546 32.394 31.823 0.041 0.000 0.987 94 V HN -0.452 7.688 8.190 -0.084 0.000 0.477 95 L N 7.822 129.128 121.223 0.138 0.000 2.282 95 L HA 0.100 4.839 4.340 0.143 -0.313 0.288 95 L C -0.256 176.648 176.870 0.056 0.000 1.033 95 L CA -0.652 54.251 54.840 0.105 0.000 0.807 95 L CB 1.262 43.351 42.059 0.050 0.000 1.209 95 L HN 0.172 8.474 8.230 0.120 0.000 0.423 96 K N 3.173 123.597 120.400 0.040 0.000 2.393 96 K HA 0.229 4.565 4.320 0.027 0.000 0.241 96 K C -0.152 176.445 176.600 -0.005 0.000 1.055 96 K CA -1.795 54.507 56.287 0.025 0.000 0.951 96 K CB 1.438 33.961 32.500 0.038 0.000 1.285 96 K HN 0.415 9.444 8.250 0.042 -0.754 0.500 97 D N -1.100 119.299 120.400 -0.003 0.000 2.149 97 D HA -0.245 4.385 4.640 -0.016 0.000 0.198 97 D C 0.674 176.956 176.300 -0.029 0.000 0.990 97 D CA 3.061 57.053 54.000 -0.014 0.000 0.839 97 D CB 0.064 40.861 40.800 -0.006 0.000 0.948 97 D HN 0.404 8.777 8.370 0.005 0.000 0.460 98 R N -4.627 115.858 120.500 -0.025 0.000 2.795 98 R HA 0.440 4.744 4.340 -0.060 0.000 0.275 98 R C -1.198 175.076 176.300 -0.043 0.000 0.981 98 R CA -1.106 54.969 56.100 -0.040 0.000 0.917 98 R CB 4.348 34.635 30.300 -0.022 0.000 1.202 98 R HN -0.597 7.661 8.270 -0.012 0.005 0.469 99 N N 0.056 118.703 118.700 -0.087 0.000 2.406 99 N HA 0.374 5.459 4.740 0.006 -0.342 0.283 99 N C -2.450 172.988 175.510 -0.121 0.000 1.074 99 N CA -0.088 52.897 53.050 -0.109 0.000 0.916 99 N CB 4.544 42.840 38.487 -0.319 0.000 1.639 99 N HN 0.491 8.808 8.380 -0.104 0.000 0.485 100 L N 3.183 124.429 121.223 0.038 0.000 2.404 100 L HA 0.662 5.376 4.340 0.022 -0.360 0.272 100 L C -2.626 174.451 176.870 0.345 0.000 0.980 100 L CA -1.010 53.894 54.840 0.107 0.000 0.836 100 L CB 3.038 45.169 42.059 0.120 0.000 1.238 100 L HN 0.668 9.483 8.230 0.125 -0.510 0.408 101 W N 4.229 125.596 121.300 0.111 0.000 2.632 101 W HA 0.730 5.767 4.660 0.106 -0.314 0.328 101 W C -1.164 175.548 176.519 0.321 0.000 1.044 101 W CA -3.610 53.822 57.345 0.146 0.000 1.225 101 W CB 2.675 32.181 29.460 0.078 0.000 1.396 101 W HN 1.107 9.465 8.180 0.296 0.000 0.499 102 F N 0.453 120.540 119.950 0.228 0.000 2.375 102 F HA 0.439 5.311 4.527 0.138 -0.261 0.333 102 F C -0.481 175.393 175.800 0.124 0.000 1.104 102 F CA -2.196 55.891 58.000 0.145 0.000 1.149 102 F CB 1.496 40.558 39.000 0.102 0.000 1.190 102 F HN 0.949 9.444 8.300 0.496 0.103 0.533 103 L N 2.731 124.080 121.223 0.209 0.000 2.305 103 L HA 0.912 5.694 4.340 0.120 -0.369 0.284 103 L C -1.028 175.875 176.870 0.055 0.000 1.013 103 L CA -1.600 53.307 54.840 0.112 0.000 0.819 103 L CB 0.603 42.703 42.059 0.068 0.000 1.227 103 L HN 0.995 9.296 8.230 0.119 0.000 0.417 104 V N -2.483 117.437 119.914 0.010 0.000 3.001 104 V HA 1.067 5.194 4.120 0.010 0.000 0.314 104 V C -1.139 174.744 176.094 -0.353 0.000 1.099 104 V CA -3.957 58.302 62.300 -0.069 0.000 0.989 104 V CB 3.810 35.672 31.823 0.066 0.000 1.040 104 V HN 0.791 8.868 8.190 -0.010 0.107 0.434 105 G N -0.912 107.580 108.800 -0.512 0.000 2.357 105 G HA2 0.038 3.906 3.960 -0.411 0.000 0.289 105 G HA3 0.038 3.308 3.960 -1.150 0.000 0.289 105 G C -2.348 172.496 174.900 -0.092 0.000 1.302 105 G CA -0.025 44.726 45.100 -0.582 0.000 0.936 105 G HN -0.179 7.951 8.290 -0.268 0.000 0.513 106 L N -1.011 120.192 121.223 -0.033 0.000 2.399 106 L HA 0.185 4.772 4.340 0.134 -0.166 0.266 106 L C -0.138 176.751 176.870 0.030 0.000 1.114 106 L CA -0.774 54.106 54.840 0.067 0.000 0.804 106 L CB 1.489 43.588 42.059 0.066 0.000 1.146 106 L HN 0.327 8.505 8.230 -0.087 0.000 0.451 107 Q N 1.601 121.427 119.800 0.042 0.000 2.286 107 Q HA -0.319 4.031 4.340 0.017 0.000 0.290 107 Q C 0.701 176.710 176.000 0.016 0.000 1.049 107 Q CA 1.970 57.787 55.803 0.024 0.000 0.923 107 Q CB 0.575 29.328 28.738 0.025 0.000 1.183 107 Q HN 0.548 8.744 8.270 0.057 0.108 0.383 108 G N 4.494 113.299 108.800 0.008 0.000 2.195 108 G HA2 -0.320 3.645 3.960 0.008 0.000 0.224 108 G HA3 -0.320 3.643 3.960 0.005 0.000 0.224 108 G C -0.222 174.678 174.900 0.000 0.000 0.990 108 G CA 0.463 45.566 45.100 0.006 0.000 0.639 108 G HN 0.465 8.759 8.290 0.005 0.000 0.514 109 S N -0.302 115.393 115.700 -0.007 0.000 2.603 109 S HA -0.042 4.419 4.470 -0.014 0.000 0.220 109 S C 0.951 175.542 174.600 -0.016 0.000 0.967 109 S CA 0.831 59.020 58.200 -0.018 0.000 0.920 109 S CB 0.274 63.448 63.200 -0.043 0.000 0.773 109 S HN -0.435 7.773 8.310 -0.008 0.097 0.529 110 G N 1.146 109.940 108.800 -0.009 0.000 2.143 110 G HA2 -0.406 3.551 3.960 -0.004 0.000 0.248 110 G HA3 -0.406 3.552 3.960 -0.003 0.000 0.248 110 G C 0.464 175.358 174.900 -0.011 0.000 0.991 110 G CA 0.505 45.602 45.100 -0.006 0.000 0.689 110 G HN 0.111 8.268 8.290 -0.006 0.129 0.522 111 K N 0.246 120.635 120.400 -0.018 0.000 2.009 111 K HA -0.350 3.956 4.320 -0.023 0.000 0.210 111 K C 1.193 177.787 176.600 -0.009 0.000 1.049 111 K CA 3.769 60.043 56.287 -0.021 0.000 0.929 111 K CB -0.115 32.367 32.500 -0.031 0.000 0.714 111 K HN -0.718 7.487 8.250 -0.019 0.033 0.440 112 T N -2.164 112.386 114.554 -0.007 0.000 2.746 112 T HA -0.288 4.330 4.350 -0.004 -0.271 0.267 112 T C 1.935 176.634 174.700 -0.002 0.000 1.039 112 T CA 4.874 66.972 62.100 -0.004 0.000 1.142 112 T CB -1.016 67.850 68.868 -0.004 0.000 0.866 112 T HN 0.298 8.533 8.240 -0.007 0.000 0.444 113 T N -0.576 113.977 114.554 -0.003 0.000 2.746 113 T HA -0.304 4.046 4.350 -0.001 0.000 0.267 113 T C 1.732 176.429 174.700 -0.005 0.000 1.039 113 T CA 4.262 66.361 62.100 -0.002 0.000 1.142 113 T CB -1.256 67.612 68.868 -0.000 0.000 0.866 113 T HN 0.045 8.283 8.240 -0.003 0.000 0.444 114 T N 4.958 119.507 114.554 -0.008 0.000 2.759 114 T HA -0.403 3.932 4.350 -0.024 0.000 0.269 114 T C 1.533 176.223 174.700 -0.017 0.000 1.042 114 T CA 5.249 67.338 62.100 -0.018 0.000 1.140 114 T CB -0.766 68.093 68.868 -0.016 0.000 0.864 114 T HN 0.014 8.256 8.240 -0.007 -0.006 0.455 115 A N 0.756 123.577 122.820 0.002 0.000 1.908 115 A HA -0.296 4.045 4.320 0.035 0.000 0.218 115 A C 1.692 179.285 177.584 0.014 0.000 1.181 115 A CA 3.119 55.167 52.037 0.019 0.000 0.627 115 A CB -1.079 17.933 19.000 0.020 0.000 0.818 115 A HN -0.088 7.982 8.150 0.002 0.081 0.445 116 A N -2.389 120.434 122.820 0.006 0.000 1.930 116 A HA -0.425 3.901 4.320 0.010 0.000 0.217 116 A C 1.820 179.409 177.584 0.009 0.000 1.175 116 A CA 2.918 54.960 52.037 0.008 0.000 0.627 116 A CB -0.575 18.428 19.000 0.004 0.000 0.815 116 A HN -0.183 7.820 8.150 0.003 0.149 0.443 117 K N -1.291 119.107 120.400 -0.004 0.000 2.155 117 K HA -0.184 4.141 4.320 0.009 0.000 0.203 117 K C 2.275 178.863 176.600 -0.020 0.000 1.052 117 K CA 2.973 59.256 56.287 -0.008 0.000 0.948 117 K CB -0.004 32.482 32.500 -0.022 0.000 0.728 117 K HN -0.221 7.938 8.250 -0.009 0.085 0.448 118 L N -0.931 120.260 121.223 -0.053 0.000 2.046 118 L HA -0.373 3.842 4.340 -0.208 0.000 0.208 118 L C 1.925 178.872 176.870 0.130 0.000 1.077 118 L CA 3.211 58.019 54.840 -0.054 0.000 0.747 118 L CB -0.378 41.673 42.059 -0.013 0.000 0.896 118 L HN 0.504 8.590 8.230 -0.050 0.113 0.432 119 A N -0.957 121.919 122.820 0.093 0.000 1.908 119 A HA -0.329 4.060 4.320 0.115 0.000 0.218 119 A C 2.128 179.762 177.584 0.083 0.000 1.181 119 A CA 2.982 55.073 52.037 0.090 0.000 0.627 119 A CB -0.608 18.413 19.000 0.036 0.000 0.818 119 A HN -0.171 7.934 8.150 0.057 0.080 0.445 120 L N -0.306 120.952 121.223 0.058 0.000 2.056 120 L HA -0.333 4.022 4.340 0.025 0.000 0.207 120 L C 1.486 178.378 176.870 0.036 0.000 1.078 120 L CA 2.813 57.676 54.840 0.039 0.000 0.749 120 L CB -0.484 41.595 42.059 0.033 0.000 0.901 120 L HN -0.090 8.073 8.230 0.049 0.096 0.433 121 Y N -0.209 120.035 120.300 -0.094 0.000 2.181 121 Y HA -0.571 3.905 4.550 -0.123 0.000 0.288 121 Y C 1.259 177.041 175.900 -0.196 0.000 1.146 121 Y CA 4.590 62.582 58.100 -0.180 0.000 1.164 121 Y CB 0.313 38.578 38.460 -0.326 0.000 0.982 121 Y HN 0.572 8.750 8.280 0.141 0.187 0.515 122 Y N -4.070 116.250 120.300 0.033 0.000 2.420 122 Y HA -0.304 4.187 4.550 -0.098 0.000 0.292 122 Y C 1.729 177.574 175.900 -0.092 0.000 1.119 122 Y CA 3.098 61.171 58.100 -0.044 0.000 1.229 122 Y CB -0.114 38.343 38.460 -0.005 0.000 1.026 122 Y HN -0.183 8.192 8.280 0.165 0.003 0.554 123 K N 1.903 122.339 120.400 0.060 0.000 2.097 123 K HA -0.154 4.386 4.320 0.011 -0.213 0.206 123 K C 3.290 179.867 176.600 -0.037 0.000 1.049 123 K CA 3.035 59.326 56.287 0.007 0.000 0.933 123 K CB -0.390 32.112 32.500 0.004 0.000 0.717 123 K HN 0.037 8.134 8.250 0.075 0.198 0.442 124 G N -2.633 106.114 108.800 -0.089 0.000 2.534 124 G HA2 -0.099 3.772 3.960 -0.149 0.000 0.217 124 G HA3 -0.099 3.815 3.960 -0.078 0.000 0.217 124 G C 0.261 175.076 174.900 -0.142 0.000 1.128 124 G CA 1.122 46.151 45.100 -0.119 0.000 0.784 124 G HN 0.312 8.352 8.290 -0.104 0.189 0.542 125 K N -1.911 118.395 120.400 -0.156 0.000 2.372 125 K HA 0.107 4.359 4.320 -0.112 0.000 0.200 125 K C -0.276 176.309 176.600 -0.023 0.000 1.022 125 K CA -1.333 54.888 56.287 -0.110 0.000 1.125 125 K CB 0.050 32.462 32.500 -0.147 0.000 0.855 125 K HN -0.593 7.252 8.250 -0.149 0.316 0.524 126 G N -0.746 108.043 108.800 -0.018 0.000 2.218 126 G HA2 -0.349 3.608 3.960 -0.004 0.000 0.216 126 G HA3 -0.349 3.608 3.960 -0.014 -0.006 0.216 126 G C 0.030 174.929 174.900 -0.003 0.000 0.994 126 G CA -0.135 44.960 45.100 -0.007 0.000 0.637 126 G HN -0.026 7.945 8.290 -0.028 0.302 0.505 127 R N 0.971 121.478 120.500 0.012 0.000 2.707 127 R HA -0.170 4.152 4.340 -0.030 0.000 0.270 127 R C 0.246 176.532 176.300 -0.025 0.000 1.083 127 R CA -1.527 54.565 56.100 -0.014 0.000 1.182 127 R CB 0.230 30.517 30.300 -0.021 0.000 1.084 127 R HN 0.301 8.459 8.270 0.036 0.134 0.528 128 R N -0.000 120.470 120.500 -0.049 0.000 2.575 128 R HA 0.455 4.775 4.340 -0.034 0.000 0.281 128 R C -2.376 173.883 176.300 -0.069 0.000 1.272 128 R CA -2.338 53.734 56.100 -0.047 0.000 1.417 128 R CB 0.279 30.554 30.300 -0.042 0.000 1.121 128 R HN 1.184 9.945 8.270 -0.064 -0.530 0.583 129 P HA 0.431 5.118 4.420 -0.139 -0.350 0.274 129 P C -1.642 175.618 177.300 -0.067 0.000 1.237 129 P CA -0.707 62.339 63.100 -0.089 0.000 0.793 129 P CB 0.909 32.576 31.700 -0.055 0.000 0.977 130 L N 1.969 123.145 121.223 -0.078 0.000 2.381 130 L HA 0.471 4.787 4.340 -0.039 0.000 0.274 130 L C -2.104 174.740 176.870 -0.044 0.000 0.988 130 L CA -1.149 53.660 54.840 -0.051 0.000 0.824 130 L CB 3.756 45.787 42.059 -0.048 0.000 1.263 130 L HN 0.880 8.943 8.230 -0.105 0.104 0.410 131 L N 5.836 127.043 121.223 -0.027 0.000 2.350 131 L HA 0.509 5.154 4.340 -0.016 -0.315 0.275 131 L C -1.251 175.608 176.870 -0.017 0.000 1.099 131 L CA -0.469 54.360 54.840 -0.017 0.000 0.808 131 L CB 1.850 43.903 42.059 -0.010 0.000 1.149 131 L HN 0.642 8.858 8.230 -0.023 0.000 0.442 132 V N 2.853 122.756 119.914 -0.018 0.000 2.407 132 V HA 0.813 5.219 4.120 -0.021 -0.299 0.291 132 V C -1.647 174.426 176.094 -0.035 0.000 1.018 132 V CA -2.200 60.085 62.300 -0.024 0.000 0.842 132 V CB 2.394 34.203 31.823 -0.023 0.000 0.996 132 V HN 1.200 9.283 8.190 -0.015 0.098 0.426 133 A N 7.752 130.554 122.820 -0.030 0.000 2.391 133 A HA 0.387 4.686 4.320 -0.035 0.000 0.316 133 A C -1.714 175.846 177.584 -0.040 0.000 1.381 133 A CA -1.271 50.747 52.037 -0.032 0.000 0.998 133 A CB 0.304 19.291 19.000 -0.021 0.000 1.147 133 A HN 0.951 9.087 8.150 -0.024 0.000 0.545 134 A N 1.827 124.611 122.820 -0.060 0.000 2.465 134 A HA 0.119 4.407 4.320 -0.053 0.000 0.255 134 A C -1.323 176.228 177.584 -0.054 0.000 1.274 134 A CA -1.075 50.921 52.037 -0.069 0.000 0.920 134 A CB 0.946 19.871 19.000 -0.124 0.000 1.033 134 A HN 0.468 8.577 8.150 -0.069 0.000 0.516 135 D N -1.066 119.311 120.400 -0.039 0.000 2.344 135 D HA -0.051 4.573 4.640 -0.026 0.000 0.253 135 D C 0.357 176.647 176.300 -0.018 0.000 1.255 135 D CA -0.259 53.727 54.000 -0.025 0.000 0.894 135 D CB 0.543 41.333 40.800 -0.016 0.000 1.067 135 D HN -0.193 8.086 8.370 -0.036 0.069 0.492 136 T N 5.095 119.640 114.554 -0.015 0.000 3.148 136 T HA 0.002 4.447 4.350 -0.010 -0.102 0.253 136 T C 1.132 175.829 174.700 -0.006 0.000 1.134 136 T CA 1.796 63.890 62.100 -0.010 0.000 1.051 136 T CB -0.272 68.591 68.868 -0.008 0.000 0.959 136 T HN 0.243 8.474 8.240 -0.016 0.000 0.525 137 Q N 0.752 120.548 119.800 -0.005 0.000 2.431 137 Q HA 0.353 4.691 4.340 -0.002 0.000 0.244 137 Q C 0.265 176.264 176.000 -0.002 0.000 0.880 137 Q CA 0.473 56.274 55.803 -0.003 0.000 0.954 137 Q CB 2.768 31.505 28.738 -0.001 0.000 1.105 137 Q HN 0.268 8.856 8.270 -0.006 -0.321 0.558 138 R N -0.093 120.405 120.500 -0.003 0.000 2.332 138 R HA 0.411 4.750 4.340 -0.001 0.000 0.306 138 R C -1.414 174.884 176.300 -0.003 0.000 1.117 138 R CA -2.464 53.635 56.100 -0.002 0.000 1.108 138 R CB 0.144 30.444 30.300 -0.000 0.000 1.126 138 R HN -0.653 8.044 8.270 -0.004 -0.430 0.548 139 P HA -0.197 4.220 4.420 -0.005 0.000 0.216 139 P C 0.787 178.085 177.300 -0.003 0.000 1.150 139 P CA 2.581 65.679 63.100 -0.004 0.000 0.837 139 P CB 0.312 32.011 31.700 -0.003 0.000 0.786 140 A N -2.794 120.025 122.820 -0.002 0.000 2.070 140 A HA -0.262 4.057 4.320 -0.001 0.000 0.220 140 A C 1.071 178.654 177.584 -0.002 0.000 1.159 140 A CA 2.329 54.365 52.037 -0.001 0.000 0.656 140 A CB -1.069 17.931 19.000 -0.000 0.000 0.800 140 A HN 0.127 8.276 8.150 -0.001 0.000 0.453 141 A N -2.441 120.377 122.820 -0.003 0.000 1.930 141 A HA -0.165 4.153 4.320 -0.002 0.000 0.215 141 A C 1.998 179.579 177.584 -0.006 0.000 1.176 141 A CA 2.955 54.990 52.037 -0.003 0.000 0.632 141 A CB -0.606 18.392 19.000 -0.003 0.000 0.819 141 A HN -0.107 7.754 8.150 -0.003 0.287 0.445 142 R N -2.735 117.760 120.500 -0.008 0.000 2.148 142 R HA -0.311 4.022 4.340 -0.012 0.000 0.227 142 R C 1.913 178.208 176.300 -0.008 0.000 1.103 142 R CA 3.485 59.579 56.100 -0.010 0.000 0.983 142 R CB -0.130 30.163 30.300 -0.010 0.000 0.874 142 R HN -0.472 7.707 8.270 -0.007 0.087 0.451 143 E N -0.354 119.843 120.200 -0.005 0.000 2.250 143 E HA -0.062 4.380 4.350 -0.005 -0.095 0.192 143 E C 2.086 178.684 176.600 -0.003 0.000 0.986 143 E CA 1.864 58.261 56.400 -0.004 0.000 0.849 143 E CB 0.082 29.781 29.700 -0.003 0.000 0.797 143 E HN -0.081 8.088 8.360 -0.005 0.188 0.482 144 Q N 0.980 120.778 119.800 -0.003 0.000 2.096 144 Q HA -0.350 3.990 4.340 -0.001 0.000 0.204 144 Q C 1.885 177.883 176.000 -0.003 0.000 0.982 144 Q CA 3.685 59.487 55.803 -0.002 0.000 0.850 144 Q CB 0.043 28.780 28.738 -0.002 0.000 0.901 144 Q HN 0.061 8.329 8.270 -0.003 0.000 0.422 145 L N -1.081 120.139 121.223 -0.005 0.000 2.131 145 L HA -0.187 4.151 4.340 -0.004 0.000 0.206 145 L C 1.480 178.347 176.870 -0.005 0.000 1.087 145 L CA 2.345 57.182 54.840 -0.005 0.000 0.767 145 L CB -0.461 41.593 42.059 -0.008 0.000 0.917 145 L HN -0.558 7.669 8.230 -0.006 0.000 0.441 146 R N -0.113 120.384 120.500 -0.006 0.000 2.083 146 R HA -0.454 3.882 4.340 -0.006 0.000 0.237 146 R C 2.196 178.493 176.300 -0.004 0.000 1.137 146 R CA 4.086 60.182 56.100 -0.005 0.000 0.951 146 R CB -0.185 30.112 30.300 -0.005 0.000 0.851 146 R HN -0.248 8.018 8.270 -0.006 0.000 0.434 147 L N -1.258 119.963 121.223 -0.003 0.000 2.012 147 L HA -0.338 4.132 4.340 -0.002 -0.131 0.210 147 L C 2.703 179.572 176.870 -0.001 0.000 1.073 147 L CA 3.129 57.968 54.840 -0.002 0.000 0.748 147 L CB -0.238 41.821 42.059 -0.001 0.000 0.891 147 L HN 0.186 8.414 8.230 -0.003 0.000 0.431 148 L N -2.317 118.906 121.223 -0.001 0.000 2.056 148 L HA -0.450 3.891 4.340 0.001 0.000 0.207 148 L C 2.411 179.282 176.870 0.000 0.000 1.078 148 L CA 3.183 58.024 54.840 0.000 0.000 0.749 148 L CB -0.681 41.378 42.059 0.001 0.000 0.901 148 L HN 0.549 8.681 8.230 -0.001 0.097 0.433 149 G N -1.811 106.989 108.800 -0.001 0.000 2.418 149 G HA2 -0.389 3.595 3.960 -0.004 0.000 0.217 149 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.217 149 G C 1.028 175.927 174.900 -0.002 0.000 1.158 149 G CA 2.105 47.203 45.100 -0.002 0.000 0.771 149 G HN 0.287 8.576 8.290 -0.002 0.000 0.545 150 E N 2.505 122.704 120.200 -0.003 0.000 2.051 150 E HA -0.319 4.029 4.350 -0.003 0.000 0.192 150 E C 3.329 179.928 176.600 -0.001 0.000 0.991 150 E CA 2.577 58.975 56.400 -0.003 0.000 0.799 150 E CB -0.144 29.555 29.700 -0.003 0.000 0.748 150 E HN -0.055 8.303 8.360 -0.003 0.000 0.449 151 K N -1.287 119.113 120.400 -0.000 0.000 2.074 151 K HA -0.269 4.051 4.320 0.001 0.000 0.209 151 K C 1.829 178.430 176.600 0.002 0.000 1.048 151 K CA 2.851 59.139 56.287 0.001 0.000 0.926 151 K CB 0.197 32.698 32.500 0.002 0.000 0.713 151 K HN 0.108 8.176 8.250 -0.000 0.182 0.444 152 V N -9.092 110.824 119.914 0.002 0.000 3.649 152 V HA 0.060 4.183 4.120 0.004 0.000 0.275 152 V C -0.053 176.042 176.094 0.002 0.000 1.281 152 V CA -0.948 61.355 62.300 0.004 0.000 1.143 152 V CB -0.700 31.128 31.823 0.008 0.000 0.892 152 V HN -0.259 7.823 8.190 0.002 0.109 0.441 153 G N -0.044 108.755 108.800 -0.001 0.000 2.160 153 G HA2 -0.396 3.562 3.960 -0.003 0.000 0.244 153 G HA3 -0.396 3.562 3.960 -0.004 0.000 0.244 153 G C -1.042 173.856 174.900 -0.004 0.000 1.022 153 G CA 0.904 46.003 45.100 -0.003 0.000 0.741 153 G HN -0.369 7.546 8.290 -0.001 0.374 0.508 154 V N 0.151 120.063 119.914 -0.004 0.000 2.495 154 V HA 0.406 4.521 4.120 -0.009 0.000 0.298 154 V C -2.228 173.861 176.094 -0.009 0.000 1.031 154 V CA -4.025 58.271 62.300 -0.006 0.000 0.871 154 V CB 2.139 33.960 31.823 -0.003 0.000 0.988 154 V HN 0.100 8.182 8.190 -0.002 0.107 0.432 155 P HA -0.025 4.389 4.420 -0.011 0.000 0.271 155 P C -1.940 175.352 177.300 -0.013 0.000 1.218 155 P CA -0.441 62.652 63.100 -0.013 0.000 0.780 155 P CB 0.776 32.467 31.700 -0.015 0.000 0.901 156 V N 0.658 120.565 119.914 -0.012 0.000 2.588 156 V HA 0.597 5.069 4.120 -0.013 -0.359 0.304 156 V C -0.670 175.417 176.094 -0.012 0.000 1.042 156 V CA -1.516 60.777 62.300 -0.012 0.000 0.877 156 V CB 2.609 34.426 31.823 -0.010 0.000 0.996 156 V HN 0.274 8.458 8.190 -0.010 0.000 0.425 157 L N 7.644 128.859 121.223 -0.013 0.000 2.280 157 L HA 0.371 4.705 4.340 -0.010 0.000 0.287 157 L C -1.742 175.120 176.870 -0.013 0.000 1.023 157 L CA -1.200 53.633 54.840 -0.012 0.000 0.819 157 L CB 2.219 44.271 42.059 -0.011 0.000 1.212 157 L HN 1.283 9.388 8.230 -0.015 0.117 0.420 158 E N 7.185 127.379 120.200 -0.011 0.000 2.200 158 E HA 0.308 4.649 4.350 -0.015 0.000 0.283 158 E C -0.101 176.492 176.600 -0.011 0.000 1.015 158 E CA -1.274 55.118 56.400 -0.012 0.000 0.819 158 E CB 1.418 31.112 29.700 -0.010 0.000 1.081 158 E HN 0.341 8.695 8.360 -0.010 0.000 0.397 159 V N 1.413 121.319 119.914 -0.014 0.000 3.237 159 V HA 0.365 4.639 4.120 -0.009 -0.160 0.305 159 V C -0.637 175.451 176.094 -0.009 0.000 1.096 159 V CA -0.862 61.430 62.300 -0.012 0.000 1.130 159 V CB 0.731 32.544 31.823 -0.016 0.000 1.048 159 V HN 0.384 8.563 8.190 -0.018 0.000 0.484 160 M N -0.809 118.787 119.600 -0.006 0.000 2.359 160 M HA 0.156 4.633 4.480 -0.005 0.000 0.322 160 M C -0.204 176.094 176.300 -0.004 0.000 1.166 160 M CA -2.404 52.894 55.300 -0.004 0.000 1.067 160 M CB 0.865 33.463 32.600 -0.003 0.000 1.523 160 M HN 0.806 9.973 8.290 -0.005 -0.880 0.467 161 D N 0.224 120.622 120.400 -0.003 0.000 2.520 161 D HA -0.106 4.767 4.640 -0.004 -0.235 0.243 161 D C 1.849 178.148 176.300 -0.002 0.000 1.160 161 D CA 1.897 55.895 54.000 -0.003 0.000 0.877 161 D CB 0.124 40.923 40.800 -0.002 0.000 1.150 161 D HN 0.092 8.460 8.370 -0.003 0.000 0.494 162 G N 5.806 114.605 108.800 -0.002 0.000 2.168 162 G HA2 -0.510 3.450 3.960 0.000 0.000 0.257 162 G HA3 -0.510 3.450 3.960 0.000 0.000 0.257 162 G C -0.570 174.331 174.900 0.001 0.000 0.997 162 G CA 0.391 45.491 45.100 -0.000 0.000 0.708 162 G HN 0.451 8.740 8.290 -0.002 0.000 0.520 163 E N 0.630 120.830 120.200 0.000 0.000 2.384 163 E HA -0.131 4.220 4.350 0.003 0.000 0.266 163 E C -0.295 176.308 176.600 0.005 0.000 1.012 163 E CA 0.195 56.596 56.400 0.002 0.000 0.901 163 E CB 1.124 30.825 29.700 0.000 0.000 0.967 163 E HN -0.689 7.635 8.360 -0.001 0.035 0.435 164 S N 6.597 122.302 115.700 0.008 0.000 2.579 164 S HA 0.178 4.655 4.470 0.013 0.000 0.275 164 S C -0.049 174.561 174.600 0.017 0.000 1.345 164 S CA -1.345 56.863 58.200 0.012 0.000 1.031 164 S CB -0.579 62.629 63.200 0.013 0.000 0.892 164 S HN -0.009 8.305 8.310 0.007 0.000 0.529 165 P HA -0.185 4.257 4.420 0.036 0.000 0.218 165 P C 1.609 178.931 177.300 0.037 0.000 1.148 165 P CA 2.490 65.612 63.100 0.037 0.000 0.822 165 P CB 0.019 31.750 31.700 0.051 0.000 0.784 166 E N -2.089 118.128 120.200 0.029 0.000 2.072 166 E HA -0.280 4.088 4.350 0.030 0.000 0.191 166 E C 2.357 178.970 176.600 0.022 0.000 0.985 166 E CA 3.991 60.406 56.400 0.026 0.000 0.801 166 E CB -0.932 28.780 29.700 0.020 0.000 0.750 166 E HN 0.362 8.721 8.360 0.026 0.016 0.452 167 S N 0.114 115.824 115.700 0.017 0.000 2.368 167 S HA -0.281 4.196 4.470 0.012 0.000 0.224 167 S C 1.886 176.494 174.600 0.014 0.000 1.029 167 S CA 3.373 61.581 58.200 0.013 0.000 0.988 167 S CB -0.606 62.599 63.200 0.010 0.000 0.838 167 S HN 0.504 8.803 8.310 0.017 0.021 0.462 168 I N 2.942 123.521 120.570 0.017 0.000 2.163 168 I HA -0.512 3.664 4.170 0.010 0.000 0.243 168 I C 1.857 177.989 176.117 0.025 0.000 1.085 168 I CA 3.944 65.254 61.300 0.017 0.000 1.347 168 I CB -0.447 37.563 38.000 0.016 0.000 1.044 168 I HN 0.674 8.882 8.210 0.018 0.013 0.408 169 R N -0.616 119.905 120.500 0.035 0.000 2.096 169 R HA -0.433 3.936 4.340 0.049 0.000 0.240 169 R C 1.991 178.307 176.300 0.027 0.000 1.139 169 R CA 4.156 60.280 56.100 0.040 0.000 0.952 169 R CB -0.225 30.101 30.300 0.043 0.000 0.854 169 R HN 0.039 8.331 8.270 0.037 0.000 0.436 170 R N -2.460 118.052 120.500 0.020 0.000 2.075 170 R HA -0.237 4.414 4.340 0.014 -0.303 0.232 170 R C 2.887 179.194 176.300 0.010 0.000 1.126 170 R CA 2.563 58.672 56.100 0.014 0.000 0.963 170 R CB -0.741 29.566 30.300 0.012 0.000 0.858 170 R HN 0.063 8.345 8.270 0.020 0.000 0.435 171 R N -0.938 119.568 120.500 0.009 0.000 2.075 171 R HA -0.250 4.092 4.340 0.004 0.000 0.232 171 R C 2.263 178.565 176.300 0.004 0.000 1.126 171 R CA 3.321 59.425 56.100 0.005 0.000 0.963 171 R CB -0.153 30.148 30.300 0.003 0.000 0.858 171 R HN 0.542 8.791 8.270 0.011 0.027 0.435 172 V N 0.747 120.666 119.914 0.008 0.000 2.295 172 V HA -0.520 3.601 4.120 0.002 0.000 0.246 172 V C 1.825 177.922 176.094 0.004 0.000 1.049 172 V CA 4.428 66.732 62.300 0.007 0.000 1.024 172 V CB -0.632 31.202 31.823 0.019 0.000 0.648 172 V HN 0.361 8.558 8.190 0.012 0.000 0.447 173 E N -0.883 119.323 120.200 0.009 0.000 2.058 173 E HA -0.487 3.865 4.350 0.003 0.000 0.194 173 E C 2.322 178.922 176.600 -0.000 0.000 0.997 173 E CA 3.415 59.818 56.400 0.005 0.000 0.801 173 E CB -0.346 29.359 29.700 0.009 0.000 0.746 173 E HN 0.139 8.507 8.360 0.013 0.000 0.450 174 E N -0.204 119.996 120.200 0.001 0.000 2.051 174 E HA -0.276 4.073 4.350 -0.002 0.000 0.192 174 E C 1.979 178.576 176.600 -0.005 0.000 0.991 174 E CA 2.614 59.013 56.400 -0.002 0.000 0.799 174 E CB -0.383 29.317 29.700 -0.000 0.000 0.748 174 E HN 0.187 8.526 8.360 0.003 0.023 0.449 175 K N -0.414 119.983 120.400 -0.006 0.000 2.057 175 K HA -0.291 4.024 4.320 -0.009 0.000 0.206 175 K C 2.032 178.624 176.600 -0.014 0.000 1.050 175 K CA 3.297 59.578 56.287 -0.009 0.000 0.935 175 K CB -0.090 32.404 32.500 -0.010 0.000 0.715 175 K HN 0.385 8.620 8.250 -0.004 0.012 0.439 176 A N -1.850 120.961 122.820 -0.015 0.000 1.933 176 A HA -0.306 3.997 4.320 -0.027 0.000 0.218 176 A C 1.831 179.402 177.584 -0.021 0.000 1.175 176 A CA 3.332 55.355 52.037 -0.023 0.000 0.628 176 A CB -0.627 18.358 19.000 -0.026 0.000 0.814 176 A HN 0.053 8.195 8.150 -0.012 0.000 0.444 177 R N -0.722 119.769 120.500 -0.015 0.000 2.093 177 R HA -0.156 4.175 4.340 -0.016 0.000 0.224 177 R C 2.694 178.987 176.300 -0.012 0.000 1.101 177 R CA 2.561 58.654 56.100 -0.013 0.000 0.979 177 R CB -0.183 30.112 30.300 -0.009 0.000 0.877 177 R HN 0.195 8.446 8.270 -0.012 0.011 0.441 178 L N -2.145 119.071 121.223 -0.011 0.000 2.291 178 L HA -0.193 4.142 4.340 -0.009 0.000 0.214 178 L C 0.865 177.728 176.870 -0.011 0.000 1.120 178 L CA 2.159 56.993 54.840 -0.010 0.000 0.799 178 L CB 0.294 42.349 42.059 -0.008 0.000 0.925 178 L HN 0.490 8.677 8.230 -0.010 0.037 0.446 179 E N -4.817 115.374 120.200 -0.014 0.000 2.603 179 E HA 0.034 4.375 4.350 -0.014 0.000 0.211 179 E C -1.340 175.248 176.600 -0.020 0.000 0.995 179 E CA -1.108 55.282 56.400 -0.016 0.000 0.990 179 E CB 0.898 30.588 29.700 -0.017 0.000 1.036 179 E HN 0.012 8.185 8.360 -0.016 0.178 0.475 180 A N -1.704 121.103 122.820 -0.021 0.000 2.640 180 A HA -0.436 3.869 4.320 -0.025 0.000 0.300 180 A C -0.420 177.144 177.584 -0.034 0.000 1.499 180 A CA 0.802 52.824 52.037 -0.025 0.000 0.759 180 A CB -1.423 17.565 19.000 -0.021 0.000 1.048 180 A HN -0.528 7.507 8.150 -0.019 0.104 0.450 181 R N -1.351 119.125 120.500 -0.040 0.000 2.234 181 R HA 0.171 4.671 4.340 -0.056 -0.193 0.324 181 R C -0.322 175.934 176.300 -0.073 0.000 1.054 181 R CA -1.716 54.351 56.100 -0.055 0.000 0.912 181 R CB -0.413 29.856 30.300 -0.052 0.000 1.030 181 R HN 0.371 8.513 8.270 -0.035 0.106 0.455 182 D N -0.753 119.589 120.400 -0.096 0.000 2.433 182 D HA 0.042 4.622 4.640 -0.100 0.000 0.211 182 D C -1.021 175.159 176.300 -0.200 0.000 1.114 182 D CA -0.927 53.002 54.000 -0.117 0.000 0.837 182 D CB 1.417 42.161 40.800 -0.093 0.000 0.984 182 D HN 0.565 8.761 8.370 -0.098 0.115 0.505 183 L N 1.424 122.499 121.223 -0.248 0.000 2.504 183 L HA 0.689 4.860 4.340 -0.504 -0.133 0.265 183 L C -2.793 173.876 176.870 -0.336 0.000 0.975 183 L CA -0.299 54.284 54.840 -0.428 0.000 0.864 183 L CB 2.822 44.537 42.059 -0.574 0.000 1.212 183 L HN -0.840 7.271 8.230 -0.199 0.000 0.416 184 I N 6.358 126.752 120.570 -0.294 0.000 2.336 184 I HA 0.488 4.925 4.170 -0.124 -0.341 0.292 184 I C -1.508 174.544 176.117 -0.109 0.000 0.991 184 I CA -0.924 60.289 61.300 -0.146 0.000 1.227 184 I CB 1.571 39.536 38.000 -0.058 0.000 1.366 184 I HN 0.813 8.723 8.210 -0.321 0.107 0.466 185 L N 7.885 129.080 121.223 -0.046 0.000 2.318 185 L HA 0.543 5.217 4.340 0.131 -0.255 0.277 185 L C -1.494 175.411 176.870 0.057 0.000 1.008 185 L CA -1.117 53.752 54.840 0.048 0.000 0.846 185 L CB 1.773 43.849 42.059 0.029 0.000 1.220 185 L HN 1.114 9.314 8.230 -0.050 0.000 0.423 186 V N 5.331 125.303 119.914 0.096 0.000 2.348 186 V HA 0.200 4.433 4.120 -0.038 -0.136 0.270 186 V C -1.478 174.571 176.094 -0.074 0.000 1.037 186 V CA -1.154 61.129 62.300 -0.029 0.000 0.872 186 V CB 0.476 32.221 31.823 -0.130 0.000 1.002 186 V HN 1.008 9.203 8.190 0.188 0.108 0.464 187 D N 9.380 129.741 120.400 -0.066 0.000 2.365 187 D HA 0.255 4.870 4.640 -0.041 0.000 0.237 187 D C -0.247 175.990 176.300 -0.104 0.000 1.190 187 D CA -1.402 52.563 54.000 -0.059 0.000 0.867 187 D CB 1.562 42.344 40.800 -0.030 0.000 1.050 187 D HN 0.817 9.155 8.370 -0.052 0.000 0.491 188 T N 3.635 118.113 114.554 -0.126 0.000 2.824 188 T HA 0.099 4.347 4.350 -0.170 0.000 0.277 188 T C -0.902 173.773 174.700 -0.043 0.000 0.975 188 T CA -1.832 60.187 62.100 -0.135 0.000 0.966 188 T CB 1.536 70.304 68.868 -0.166 0.000 1.054 188 T HN -0.247 7.930 8.240 -0.106 0.000 0.533 189 A N -0.836 121.971 122.820 -0.022 0.000 2.520 189 A HA -0.238 4.081 4.320 -0.001 0.000 0.245 189 A C -0.723 176.888 177.584 0.046 0.000 1.072 189 A CA 0.833 52.875 52.037 0.008 0.000 0.761 189 A CB 0.282 19.287 19.000 0.008 0.000 1.004 189 A HN 0.237 8.366 8.150 -0.035 0.000 0.499 190 G N 0.314 109.137 108.800 0.039 0.000 2.452 190 G HA2 0.350 4.336 3.960 0.044 0.000 0.324 190 G HA3 0.350 4.473 3.960 0.094 -0.107 0.324 190 G C -2.405 172.525 174.900 0.051 0.000 1.214 190 G CA -0.797 44.339 45.100 0.059 0.000 0.947 190 G HN -0.106 8.199 8.290 0.024 0.000 0.478 191 R N 0.497 121.038 120.500 0.068 0.000 2.836 191 R HA 0.469 4.831 4.340 0.036 0.000 0.269 191 R C 0.591 176.923 176.300 0.053 0.000 1.010 191 R CA -1.958 54.172 56.100 0.049 0.000 0.930 191 R CB 3.556 33.881 30.300 0.042 0.000 1.218 191 R HN 0.131 8.459 8.270 0.096 0.000 0.473 192 L N -0.068 121.177 121.223 0.037 0.000 2.201 192 L HA -0.148 4.212 4.340 0.034 0.000 0.212 192 L C -0.066 176.830 176.870 0.043 0.000 1.105 192 L CA 2.478 57.338 54.840 0.034 0.000 0.775 192 L CB 0.436 42.509 42.059 0.023 0.000 0.913 192 L HN 0.306 8.554 8.230 0.030 0.000 0.440 193 Q N -4.885 114.942 119.800 0.045 0.000 2.605 193 Q HA 0.067 4.444 4.340 0.062 0.000 0.296 193 Q C -1.418 174.615 176.000 0.054 0.000 1.056 193 Q CA -2.455 53.378 55.803 0.050 0.000 0.778 193 Q CB 1.724 30.480 28.738 0.029 0.000 1.497 193 Q HN -0.725 7.523 8.270 0.040 0.045 0.443 194 I N -1.153 119.444 120.570 0.044 0.000 2.775 194 I HA -0.141 4.028 4.170 -0.002 0.000 0.290 194 I C -0.514 175.587 176.117 -0.027 0.000 1.203 194 I CA 0.809 62.106 61.300 -0.005 0.000 1.433 194 I CB 0.028 38.003 38.000 -0.042 0.000 1.354 194 I HN 0.026 8.263 8.210 0.046 0.000 0.579 195 D N 7.930 128.298 120.400 -0.053 0.000 2.542 195 D HA 0.145 4.767 4.640 -0.030 0.000 0.252 195 D C 0.036 176.298 176.300 -0.063 0.000 1.222 195 D CA -1.147 52.829 54.000 -0.040 0.000 0.895 195 D CB 1.531 42.322 40.800 -0.015 0.000 1.207 195 D HN -0.067 8.252 8.370 -0.085 0.000 0.558 196 E N 6.105 126.273 120.200 -0.054 0.000 2.077 196 E HA -0.178 4.123 4.350 -0.080 0.000 0.193 196 E C -0.288 176.285 176.600 -0.046 0.000 0.989 196 E CA 4.177 60.542 56.400 -0.059 0.000 0.800 196 E CB -2.192 27.481 29.700 -0.044 0.000 0.746 196 E HN 0.635 8.970 8.360 -0.043 0.000 0.452 197 P HA -0.194 4.215 4.420 -0.019 0.000 0.215 197 P C 1.385 178.673 177.300 -0.021 0.000 1.157 197 P CA 2.456 65.543 63.100 -0.021 0.000 0.868 197 P CB -0.287 31.405 31.700 -0.013 0.000 0.788 198 L N -1.435 119.774 121.223 -0.023 0.000 2.012 198 L HA -0.238 4.366 4.340 -0.005 -0.267 0.210 198 L C 2.122 178.975 176.870 -0.030 0.000 1.073 198 L CA 3.273 58.104 54.840 -0.016 0.000 0.748 198 L CB 0.020 42.074 42.059 -0.008 0.000 0.891 198 L HN -0.126 8.707 8.230 -0.023 -0.617 0.431 199 M N -2.545 117.011 119.600 -0.074 0.000 2.067 199 M HA -0.358 4.042 4.480 -0.132 0.000 0.260 199 M C 2.625 178.894 176.300 -0.052 0.000 1.069 199 M CA 2.006 57.238 55.300 -0.113 0.000 1.117 199 M CB -1.550 30.940 32.600 -0.184 0.000 1.334 199 M HN 0.063 8.210 8.290 -0.082 0.094 0.407 200 G N -1.779 106.998 108.800 -0.039 0.000 2.469 200 G HA2 -0.389 3.562 3.960 -0.015 0.000 0.220 200 G HA3 -0.389 3.561 3.960 -0.015 0.000 0.220 200 G C 1.355 176.259 174.900 0.007 0.000 1.136 200 G CA 2.097 47.188 45.100 -0.015 0.000 0.759 200 G HN 0.094 8.356 8.290 -0.046 0.000 0.562 201 E N 2.419 122.623 120.200 0.006 0.000 2.077 201 E HA -0.403 3.962 4.350 0.024 0.000 0.193 201 E C 2.498 179.129 176.600 0.052 0.000 0.989 201 E CA 3.141 59.555 56.400 0.023 0.000 0.800 201 E CB -0.203 29.504 29.700 0.013 0.000 0.746 201 E HN -0.460 7.815 8.360 -0.004 0.082 0.452 202 L N -0.452 120.806 121.223 0.059 0.000 1.994 202 L HA -0.484 3.944 4.340 0.147 0.000 0.208 202 L C 1.848 178.823 176.870 0.175 0.000 1.071 202 L CA 3.390 58.310 54.840 0.133 0.000 0.745 202 L CB -0.323 41.819 42.059 0.140 0.000 0.892 202 L HN 0.149 8.214 8.230 0.033 0.186 0.431 203 A N -2.067 120.811 122.820 0.098 0.000 1.917 203 A HA -0.354 4.017 4.320 0.086 0.000 0.219 203 A C 1.946 179.580 177.584 0.083 0.000 1.182 203 A CA 3.050 55.133 52.037 0.077 0.000 0.633 203 A CB -0.839 18.180 19.000 0.031 0.000 0.819 203 A HN 0.092 8.278 8.150 0.060 0.000 0.448 204 R N -1.187 119.357 120.500 0.074 0.000 2.062 204 R HA -0.230 4.453 4.340 0.054 -0.311 0.231 204 R C 2.169 178.532 176.300 0.105 0.000 1.136 204 R CA 1.779 57.920 56.100 0.068 0.000 0.948 204 R CB -0.630 29.699 30.300 0.047 0.000 0.845 204 R HN -0.443 7.864 8.270 0.063 0.001 0.430 205 L N -0.713 120.593 121.223 0.139 0.000 2.089 205 L HA -0.401 4.026 4.340 0.144 0.000 0.213 205 L C 1.369 178.433 176.870 0.324 0.000 1.079 205 L CA 3.483 58.440 54.840 0.195 0.000 0.758 205 L CB -0.304 41.853 42.059 0.164 0.000 0.891 205 L HN 0.026 8.223 8.230 0.124 0.108 0.433 206 K N -1.095 119.502 120.400 0.328 0.000 2.025 206 K HA -0.449 3.898 4.320 0.045 0.000 0.207 206 K C 1.890 178.500 176.600 0.016 0.000 1.049 206 K CA 3.780 60.135 56.287 0.113 0.000 0.933 206 K CB -0.329 32.167 32.500 -0.006 0.000 0.714 206 K HN -0.095 8.142 8.250 0.297 0.191 0.438 207 E N -1.914 118.308 120.200 0.037 0.000 2.130 207 E HA -0.337 4.010 4.350 -0.006 0.000 0.196 207 E C 2.366 178.982 176.600 0.027 0.000 0.998 207 E CA 2.687 59.096 56.400 0.016 0.000 0.806 207 E CB -0.119 29.595 29.700 0.022 0.000 0.738 207 E HN -0.501 7.893 8.360 0.057 0.000 0.459 208 V N -1.999 117.950 119.914 0.059 0.000 2.407 208 V HA -0.242 3.904 4.120 0.043 0.000 0.245 208 V C 1.306 177.441 176.094 0.069 0.000 1.041 208 V CA 3.164 65.500 62.300 0.060 0.000 1.040 208 V CB 0.346 32.211 31.823 0.070 0.000 0.671 208 V HN -0.329 7.875 8.190 0.080 0.035 0.455 209 L N -3.873 117.416 121.223 0.110 0.000 2.509 209 L HA -0.003 4.400 4.340 0.105 0.000 0.222 209 L C 0.149 177.051 176.870 0.053 0.000 1.123 209 L CA -0.111 54.804 54.840 0.126 0.000 0.856 209 L CB 0.240 42.468 42.059 0.282 0.000 0.985 209 L HN -0.015 8.300 8.230 0.143 0.000 0.456 210 G N -0.597 108.195 108.800 -0.014 0.000 2.369 210 G HA2 -0.264 3.680 3.960 -0.027 0.000 0.286 210 G HA3 -0.264 3.751 3.960 -0.096 -0.113 0.286 210 G C -2.039 172.819 174.900 -0.070 0.000 0.938 210 G CA -0.170 44.895 45.100 -0.059 0.000 1.271 210 G HN -0.348 7.901 8.290 -0.011 0.034 0.488 211 P HA -0.081 4.556 4.420 0.025 -0.202 0.269 211 P C -0.823 176.435 177.300 -0.069 0.000 1.209 211 P CA -0.626 62.393 63.100 -0.135 0.000 0.776 211 P CB 0.932 32.324 31.700 -0.514 0.000 0.876 212 D N 0.484 120.929 120.400 0.075 0.000 2.234 212 D HA -0.135 4.520 4.640 0.025 0.000 0.205 212 D C -0.144 176.145 176.300 -0.017 0.000 0.962 212 D CA 2.415 56.459 54.000 0.073 0.000 0.855 212 D CB 1.078 41.993 40.800 0.192 0.000 0.951 212 D HN 0.756 9.131 8.370 0.174 0.099 0.500 213 E N -4.174 115.991 120.200 -0.059 0.000 2.367 213 E HA 0.452 4.689 4.350 -0.189 0.000 0.273 213 E C -2.016 174.515 176.600 -0.115 0.000 0.903 213 E CA -1.915 54.341 56.400 -0.240 0.000 0.764 213 E CB 4.492 33.728 29.700 -0.774 0.000 1.252 213 E HN -0.805 7.596 8.360 0.077 0.005 0.446 214 V N 2.873 122.738 119.914 -0.082 0.000 2.380 214 V HA 0.241 4.706 4.120 0.146 -0.257 0.286 214 V C -1.755 174.362 176.094 0.039 0.000 1.015 214 V CA -0.793 61.529 62.300 0.036 0.000 0.834 214 V CB 0.955 32.783 31.823 0.008 0.000 1.009 214 V HN 1.197 9.331 8.190 -0.094 0.000 0.428 215 L N 6.855 128.123 121.223 0.076 0.000 2.265 215 L HA 0.622 5.339 4.340 0.020 -0.364 0.289 215 L C -1.538 175.337 176.870 0.008 0.000 1.033 215 L CA -1.350 53.516 54.840 0.044 0.000 0.814 215 L CB 1.448 43.557 42.059 0.083 0.000 1.203 215 L HN 1.081 9.168 8.230 0.140 0.226 0.423 216 L N 6.756 127.942 121.223 -0.061 0.000 2.276 216 L HA 0.692 5.337 4.340 -0.232 -0.444 0.286 216 L C -1.666 175.117 176.870 -0.145 0.000 1.061 216 L CA -1.721 53.013 54.840 -0.177 0.000 0.807 216 L CB 1.979 43.898 42.059 -0.232 0.000 1.177 216 L HN 0.985 9.180 8.230 -0.058 0.000 0.429 217 V N 8.038 127.856 119.914 -0.161 0.000 2.439 217 V HA 0.468 4.886 4.120 -0.072 -0.342 0.282 217 V C -1.232 174.788 176.094 -0.124 0.000 1.039 217 V CA -0.727 61.511 62.300 -0.104 0.000 0.913 217 V CB 0.822 32.604 31.823 -0.069 0.000 0.983 217 V HN 0.901 8.970 8.190 -0.203 0.000 0.460 218 L N 5.490 126.661 121.223 -0.086 0.000 2.436 218 L HA 0.364 4.656 4.340 -0.080 0.000 0.268 218 L C -2.190 174.657 176.870 -0.040 0.000 0.974 218 L CA -1.614 53.182 54.840 -0.074 0.000 0.826 218 L CB 4.247 46.257 42.059 -0.083 0.000 1.291 218 L HN 0.746 8.934 8.230 -0.069 0.000 0.406 219 D N 3.369 123.753 120.400 -0.027 0.000 2.338 219 D HA 0.064 4.842 4.640 0.000 -0.138 0.255 219 D C 1.009 177.309 176.300 -0.001 0.000 1.237 219 D CA -0.456 53.540 54.000 -0.006 0.000 0.883 219 D CB 0.413 41.212 40.800 -0.002 0.000 1.087 219 D HN 0.543 8.895 8.370 -0.030 0.000 0.485 220 A N 8.589 131.419 122.820 0.018 0.000 2.024 220 A HA -0.281 4.044 4.320 0.008 0.000 0.220 220 A C 1.263 178.862 177.584 0.025 0.000 1.164 220 A CA 2.922 54.978 52.037 0.032 0.000 0.643 220 A CB -0.016 19.043 19.000 0.099 0.000 0.806 220 A HN 1.101 9.160 8.150 0.027 0.107 0.451 221 M N -4.709 114.909 119.600 0.030 0.000 2.446 221 M HA -0.277 4.222 4.480 0.032 0.000 0.263 221 M C 0.984 177.284 176.300 0.001 0.000 1.066 221 M CA 3.216 58.529 55.300 0.023 0.000 1.087 221 M CB 0.089 32.704 32.600 0.025 0.000 1.406 221 M HN 0.091 8.803 8.290 0.032 -0.403 0.459 222 T N -5.888 108.662 114.554 -0.006 0.000 3.148 222 T HA -0.118 4.225 4.350 -0.010 0.000 0.253 222 T C 0.926 175.610 174.700 -0.027 0.000 1.134 222 T CA -0.084 62.008 62.100 -0.013 0.000 1.051 222 T CB 0.321 69.183 68.868 -0.009 0.000 0.959 222 T HN -0.371 7.535 8.240 -0.004 0.331 0.525 223 G N 2.263 111.039 108.800 -0.040 0.000 2.583 223 G HA2 -0.567 3.686 3.960 -0.063 0.000 0.292 223 G HA3 -0.567 3.342 3.960 -0.084 0.000 0.292 223 G C -0.272 174.593 174.900 -0.058 0.000 1.203 223 G CA 0.754 45.816 45.100 -0.063 0.000 0.987 223 G HN 0.379 8.496 8.290 -0.037 0.151 0.554 224 Q N 1.937 121.703 119.800 -0.057 0.000 2.437 224 Q HA -0.302 4.007 4.340 -0.051 0.000 0.210 224 Q C 2.274 178.256 176.000 -0.029 0.000 0.972 224 Q CA 2.126 57.901 55.803 -0.047 0.000 0.903 224 Q CB -0.187 28.524 28.738 -0.047 0.000 0.967 224 Q HN -0.116 8.713 8.270 -0.059 -0.595 0.486 225 E N 1.534 121.720 120.200 -0.024 0.000 2.107 225 E HA -0.253 4.094 4.350 -0.006 0.000 0.191 225 E C 1.293 177.890 176.600 -0.005 0.000 0.982 225 E CA 2.299 58.694 56.400 -0.010 0.000 0.809 225 E CB -0.685 29.011 29.700 -0.006 0.000 0.756 225 E HN -0.146 8.069 8.360 -0.027 0.128 0.459 226 A N -0.589 122.221 122.820 -0.017 0.000 1.978 226 A HA -0.223 4.088 4.320 -0.015 0.000 0.220 226 A C 1.716 179.289 177.584 -0.018 0.000 1.170 226 A CA 3.125 55.149 52.037 -0.021 0.000 0.636 226 A CB -0.532 18.446 19.000 -0.038 0.000 0.810 226 A HN -0.201 7.934 8.150 -0.024 0.000 0.448 227 L N -5.289 115.922 121.223 -0.020 0.000 2.418 227 L HA -0.196 4.132 4.340 -0.020 0.000 0.218 227 L C 1.751 178.625 176.870 0.007 0.000 1.125 227 L CA 2.015 56.846 54.840 -0.015 0.000 0.835 227 L CB -0.616 41.429 42.059 -0.023 0.000 0.953 227 L HN -0.142 7.937 8.230 -0.024 0.136 0.454 228 S N 0.707 116.415 115.700 0.013 0.000 2.371 228 S HA -0.210 4.275 4.470 0.024 0.000 0.224 228 S C 2.029 176.664 174.600 0.058 0.000 1.029 228 S CA 3.300 61.516 58.200 0.027 0.000 0.978 228 S CB -0.526 62.685 63.200 0.019 0.000 0.833 228 S HN -0.166 7.892 8.310 0.006 0.256 0.466 229 V N 2.918 122.875 119.914 0.072 0.000 2.332 229 V HA -0.490 3.741 4.120 0.186 0.000 0.248 229 V C 1.326 177.544 176.094 0.206 0.000 1.055 229 V CA 3.688 66.078 62.300 0.150 0.000 1.038 229 V CB -0.761 31.127 31.823 0.108 0.000 0.651 229 V HN 0.048 8.268 8.190 0.049 0.000 0.450 230 A N -1.399 121.478 122.820 0.093 0.000 1.933 230 A HA -0.308 4.066 4.320 0.091 0.000 0.218 230 A C 1.971 179.618 177.584 0.104 0.000 1.175 230 A CA 3.218 55.302 52.037 0.078 0.000 0.628 230 A CB -0.809 18.191 19.000 0.000 0.000 0.814 230 A HN -0.098 8.082 8.150 0.049 0.000 0.444 231 R N -0.849 119.696 120.500 0.074 0.000 2.081 231 R HA -0.395 3.971 4.340 0.043 0.000 0.235 231 R C 1.717 178.056 176.300 0.065 0.000 1.131 231 R CA 3.437 59.569 56.100 0.054 0.000 0.960 231 R CB -0.122 30.197 30.300 0.031 0.000 0.856 231 R HN -0.122 8.075 8.270 0.061 0.109 0.436 232 A N -0.879 121.990 122.820 0.081 0.000 1.877 232 A HA -0.250 4.062 4.320 -0.013 0.000 0.216 232 A C 2.022 179.600 177.584 -0.010 0.000 1.186 232 A CA 2.971 55.020 52.037 0.019 0.000 0.620 232 A CB -0.574 18.426 19.000 -0.000 0.000 0.822 232 A HN -0.324 7.886 8.150 0.100 0.000 0.443 233 F N -3.075 116.877 119.950 0.003 0.000 2.259 233 F HA -0.230 4.308 4.527 0.018 0.000 0.298 233 F C 2.190 177.993 175.800 0.005 0.000 1.088 233 F CA 3.483 61.490 58.000 0.011 0.000 1.358 233 F CB 0.072 39.082 39.000 0.016 0.000 1.040 233 F HN -0.096 8.472 8.300 0.446 0.000 0.505 234 D N -0.705 119.793 120.400 0.163 0.000 2.183 234 D HA -0.212 4.480 4.640 0.087 0.000 0.203 234 D C 2.381 178.706 176.300 0.041 0.000 0.969 234 D CA 3.271 57.320 54.000 0.081 0.000 0.842 234 D CB -0.117 40.710 40.800 0.046 0.000 0.957 234 D HN 0.038 8.490 8.370 0.162 0.015 0.484 235 E N -1.237 118.979 120.200 0.026 0.000 2.170 235 E HA -0.170 4.181 4.350 0.002 0.000 0.191 235 E C 1.897 178.488 176.600 -0.014 0.000 0.981 235 E CA 2.180 58.580 56.400 0.001 0.000 0.830 235 E CB 0.375 30.071 29.700 -0.006 0.000 0.775 235 E HN -0.271 7.964 8.360 0.034 0.145 0.470 236 K N -4.169 116.211 120.400 -0.033 0.000 2.284 236 K HA -0.093 4.200 4.320 -0.046 0.000 0.198 236 K C 0.190 176.772 176.600 -0.029 0.000 1.048 236 K CA 2.471 58.724 56.287 -0.057 0.000 0.987 236 K CB 1.215 33.638 32.500 -0.129 0.000 0.800 236 K HN -0.250 7.978 8.250 -0.036 0.000 0.486 237 V N -6.512 113.405 119.914 0.005 0.000 3.103 237 V HA 0.098 4.238 4.120 0.034 0.000 0.229 237 V C -0.559 175.563 176.094 0.048 0.000 1.304 237 V CA 0.030 62.359 62.300 0.048 0.000 1.298 237 V CB 3.408 35.303 31.823 0.119 0.000 1.093 237 V HN -0.273 7.928 8.190 0.018 0.000 0.489 238 G N 0.667 109.502 108.800 0.059 0.000 3.409 238 G HA2 -0.232 3.735 3.960 0.012 0.000 0.686 238 G HA3 -0.232 4.345 3.960 0.029 -0.600 0.686 238 G C -1.526 173.398 174.900 0.039 0.000 1.017 238 G CA -0.262 44.858 45.100 0.033 0.000 0.854 238 G HN -0.260 7.992 8.290 0.078 0.086 0.508 239 V N -0.243 119.691 119.914 0.033 0.000 2.864 239 V HA 0.544 4.677 4.120 0.022 0.000 0.314 239 V C -1.404 174.677 176.094 -0.021 0.000 1.073 239 V CA -2.960 59.351 62.300 0.018 0.000 0.956 239 V CB 3.232 35.072 31.823 0.029 0.000 1.023 239 V HN 0.150 8.960 8.190 0.027 -0.603 0.435 240 T N -3.395 111.140 114.554 -0.032 0.000 2.990 240 T HA 0.130 4.458 4.350 -0.038 0.000 0.249 240 T C -0.004 174.669 174.700 -0.044 0.000 1.039 240 T CA 0.214 62.294 62.100 -0.034 0.000 1.036 240 T CB 1.950 70.797 68.868 -0.035 0.000 0.994 240 T HN 0.619 8.724 8.240 -0.027 0.119 0.489 241 G N 0.034 108.795 108.800 -0.065 0.000 2.623 241 G HA2 0.518 4.398 3.960 -0.134 0.000 0.290 241 G HA3 0.518 4.339 3.960 -0.408 -0.106 0.290 241 G C -3.404 171.404 174.900 -0.152 0.000 1.437 241 G CA 0.429 45.402 45.100 -0.211 0.000 0.798 241 G HN -0.405 7.858 8.290 -0.046 0.000 0.488 242 L N -1.633 119.444 121.223 -0.244 0.000 2.342 242 L HA 0.811 5.471 4.340 -0.114 -0.388 0.271 242 L C -1.312 175.512 176.870 -0.077 0.000 1.008 242 L CA -1.531 53.213 54.840 -0.159 0.000 0.818 242 L CB 3.905 45.834 42.059 -0.218 0.000 1.296 242 L HN 0.811 8.797 8.230 -0.407 0.000 0.427 243 V N 0.807 120.707 119.914 -0.023 0.000 2.444 243 V HA 0.471 4.973 4.120 0.055 -0.349 0.294 243 V C -1.291 174.788 176.094 -0.025 0.000 1.022 243 V CA -1.320 61.001 62.300 0.035 0.000 0.850 243 V CB 1.858 33.746 31.823 0.109 0.000 0.992 243 V HN 0.402 8.568 8.190 -0.040 0.000 0.426 244 L N 8.733 129.934 121.223 -0.037 0.000 2.265 244 L HA 0.903 5.564 4.340 -0.038 -0.343 0.289 244 L C -0.103 176.783 176.870 0.026 0.000 1.033 244 L CA -1.585 53.238 54.840 -0.029 0.000 0.814 244 L CB 0.952 42.975 42.059 -0.060 0.000 1.203 244 L HN 0.768 8.976 8.230 -0.038 0.000 0.423 245 T N 0.055 114.621 114.554 0.021 0.000 2.936 245 T HA 0.450 5.032 4.350 0.040 -0.208 0.282 245 T C 0.610 175.335 174.700 0.042 0.000 1.003 245 T CA -2.349 59.769 62.100 0.031 0.000 1.005 245 T CB 2.414 71.290 68.868 0.014 0.000 1.097 245 T HN 0.859 9.103 8.240 0.006 0.000 0.532 246 K N -2.431 117.993 120.400 0.041 0.000 3.035 246 K HA -0.455 4.145 4.320 0.038 -0.258 0.262 246 K C 0.914 177.555 176.600 0.068 0.000 1.024 246 K CA 1.266 57.579 56.287 0.044 0.000 0.748 246 K CB -2.749 29.772 32.500 0.034 0.000 1.247 246 K HN 0.282 8.479 8.250 0.036 0.075 0.482 247 L N -1.342 119.929 121.223 0.080 0.000 2.141 247 L HA -0.236 4.211 4.340 0.179 0.000 0.209 247 L C 0.740 177.663 176.870 0.089 0.000 1.094 247 L CA 2.908 57.823 54.840 0.124 0.000 0.763 247 L CB 0.054 42.183 42.059 0.117 0.000 0.908 247 L HN 0.112 8.380 8.230 0.069 0.003 0.437 248 D N -5.817 114.604 120.400 0.035 0.000 2.349 248 D HA -0.093 4.526 4.640 -0.034 0.000 0.215 248 D C 0.632 176.954 176.300 0.035 0.000 1.016 248 D CA 0.551 54.552 54.000 0.002 0.000 0.870 248 D CB -0.745 40.045 40.800 -0.016 0.000 0.917 248 D HN -0.047 8.318 8.370 0.035 0.025 0.524 249 G N -1.774 107.059 108.800 0.055 0.000 3.042 249 G HA2 -0.109 3.878 3.960 0.046 0.000 0.212 249 G HA3 -0.109 3.878 3.960 0.045 0.000 0.212 249 G C -0.953 173.995 174.900 0.081 0.000 1.166 249 G CA -0.402 44.731 45.100 0.055 0.000 0.767 249 G HN -0.465 7.648 8.290 0.059 0.213 0.546 250 D N 0.607 121.087 120.400 0.134 0.000 2.411 250 D HA -0.021 4.688 4.640 0.116 0.000 0.225 250 D C -1.317 175.138 176.300 0.260 0.000 1.156 250 D CA -1.110 53.000 54.000 0.183 0.000 0.874 250 D CB -0.220 40.736 40.800 0.260 0.000 1.034 250 D HN -0.832 7.449 8.370 0.145 0.176 0.502 251 A N 6.456 129.365 122.820 0.149 0.000 2.208 251 A HA 0.181 4.779 4.320 0.185 -0.168 0.209 251 A C 1.503 179.164 177.584 0.128 0.000 1.161 251 A CA 1.065 53.190 52.037 0.146 0.000 0.782 251 A CB 0.233 19.277 19.000 0.074 0.000 0.816 251 A HN 0.100 8.309 8.150 0.098 0.000 0.477 252 R N -1.996 118.527 120.500 0.038 0.000 2.015 252 R HA 0.018 4.307 4.340 -0.084 0.000 0.212 252 R C 0.744 176.762 176.300 -0.470 0.000 1.304 252 R CA 1.929 57.952 56.100 -0.129 0.000 1.040 252 R CB 1.464 31.691 30.300 -0.122 0.000 0.915 252 R HN 0.023 8.557 8.270 0.045 -0.237 0.465 253 G N -4.100 104.233 108.800 -0.778 0.000 2.192 253 G HA2 -0.221 2.482 3.960 -2.095 0.000 0.193 253 G HA3 -0.221 2.482 3.960 -2.241 -0.088 0.193 253 G C 0.729 175.200 174.900 -0.716 0.000 0.999 253 G CA 0.054 44.196 45.100 -1.596 0.000 0.659 253 G HN -0.450 7.823 8.290 -0.501 -0.284 0.503 254 G N 0.668 109.223 108.800 -0.408 0.000 2.476 254 G HA2 -0.408 3.697 3.960 -0.199 0.000 0.218 254 G HA3 -0.408 3.406 3.960 -0.244 0.000 0.218 254 G C 0.329 175.114 174.900 -0.190 0.000 1.164 254 G CA 2.235 47.185 45.100 -0.249 0.000 0.768 254 G HN 0.029 8.099 8.290 -0.366 0.000 0.560 255 A N 0.339 123.060 122.820 -0.165 0.000 1.933 255 A HA -0.269 3.994 4.320 -0.095 0.000 0.218 255 A C 1.790 179.314 177.584 -0.100 0.000 1.175 255 A CA 2.543 54.515 52.037 -0.108 0.000 0.628 255 A CB -0.763 18.192 19.000 -0.075 0.000 0.814 255 A HN 0.200 8.245 8.150 -0.175 0.000 0.444 256 A N -1.549 121.213 122.820 -0.096 0.000 1.898 256 A HA -0.222 4.067 4.320 -0.051 0.000 0.214 256 A C 1.626 179.209 177.584 -0.000 0.000 1.183 256 A CA 2.377 54.410 52.037 -0.006 0.000 0.622 256 A CB -0.253 18.887 19.000 0.233 0.000 0.824 256 A HN -0.656 7.404 8.150 -0.151 0.000 0.444 257 L N -5.751 115.435 121.223 -0.061 0.000 2.376 257 L HA -0.227 4.136 4.340 0.039 0.000 0.219 257 L C 0.715 177.569 176.870 -0.027 0.000 1.133 257 L CA 1.671 56.493 54.840 -0.031 0.000 0.816 257 L CB 0.051 42.042 42.059 -0.113 0.000 0.933 257 L HN -0.107 8.036 8.230 -0.145 0.000 0.449 258 S N -2.879 112.787 115.700 -0.057 0.000 2.502 258 S HA 0.035 4.480 4.470 -0.041 0.000 0.215 258 S C 1.339 175.939 174.600 0.000 0.000 1.009 258 S CA 1.269 59.442 58.200 -0.045 0.000 0.908 258 S CB 0.376 63.525 63.200 -0.085 0.000 0.801 258 S HN -0.495 7.729 8.310 -0.077 0.040 0.505 259 A N 2.567 125.369 122.820 -0.029 0.000 1.908 259 A HA -0.358 3.939 4.320 -0.038 0.000 0.218 259 A C 1.091 178.663 177.584 -0.020 0.000 1.181 259 A CA 3.565 55.575 52.037 -0.045 0.000 0.627 259 A CB -0.925 18.010 19.000 -0.109 0.000 0.818 259 A HN -0.145 7.978 8.150 -0.046 0.000 0.445 260 R N -1.336 119.161 120.500 -0.004 0.000 2.082 260 R HA -0.392 3.925 4.340 -0.037 0.000 0.234 260 R C 2.037 178.362 176.300 0.041 0.000 1.136 260 R CA 3.462 59.562 56.100 0.002 0.000 0.935 260 R CB -0.272 30.042 30.300 0.023 0.000 0.842 260 R HN -0.051 8.219 8.270 -0.000 0.000 0.430 261 H N 0.311 119.371 119.070 -0.016 0.000 2.289 261 H HA -0.284 4.269 4.556 -0.004 0.000 0.294 261 H C 1.722 177.040 175.328 -0.018 0.000 1.095 261 H CA 3.121 59.164 56.048 -0.008 0.000 1.256 261 H CB 0.104 29.867 29.762 0.003 0.000 1.359 261 H HN -0.525 7.870 8.280 0.193 0.000 0.487 262 V N -4.915 115.113 119.914 0.190 0.000 2.500 262 V HA -0.152 4.084 4.120 0.193 0.000 0.243 262 V C 1.213 177.326 176.094 0.031 0.000 1.039 262 V CA 2.290 64.674 62.300 0.139 0.000 1.053 262 V CB 0.439 32.325 31.823 0.106 0.000 0.695 262 V HN -0.025 8.162 8.190 0.164 0.101 0.463 263 T N -3.954 110.600 114.554 -0.000 0.000 2.969 263 T HA 0.003 4.342 4.350 -0.018 0.000 0.250 263 T C 1.181 175.853 174.700 -0.048 0.000 1.021 263 T CA -0.502 61.582 62.100 -0.027 0.000 1.003 263 T CB 1.985 70.827 68.868 -0.042 0.000 1.040 263 T HN 0.037 8.164 8.240 -0.000 0.113 0.492 264 G N 3.641 112.408 108.800 -0.054 0.000 2.283 264 G HA2 -0.424 3.499 3.960 -0.061 0.000 0.280 264 G HA3 -0.424 3.662 3.960 -0.064 -0.165 0.280 264 G C -0.793 174.053 174.900 -0.090 0.000 1.029 264 G CA 1.205 46.265 45.100 -0.067 0.000 0.840 264 G HN -0.365 7.790 8.290 -0.044 0.109 0.505 265 K N -0.439 119.887 120.400 -0.122 0.000 2.270 265 K HA 0.581 4.799 4.320 -0.171 0.000 0.255 265 K C -2.370 174.063 176.600 -0.277 0.000 0.936 265 K CA -3.810 52.368 56.287 -0.182 0.000 0.809 265 K CB 1.297 33.695 32.500 -0.169 0.000 1.131 265 K HN -0.351 7.806 8.250 -0.118 0.022 0.427 266 P HA 0.080 4.276 4.420 -0.373 0.000 0.271 266 P C -1.302 175.567 177.300 -0.718 0.000 1.216 266 P CA -0.318 62.449 63.100 -0.555 0.000 0.776 266 P CB 0.838 32.089 31.700 -0.749 0.000 0.881 267 I N 1.266 121.493 120.570 -0.572 0.000 2.308 267 I HA 0.005 4.140 4.170 -0.536 -0.286 0.293 267 I C 0.040 175.881 176.117 -0.460 0.000 1.078 267 I CA 0.423 61.358 61.300 -0.609 0.000 1.292 267 I CB -0.740 36.653 38.000 -1.012 0.000 1.423 267 I HN -0.069 7.862 8.210 -0.464 0.000 0.493 268 Y N 4.346 124.471 120.300 -0.291 0.000 2.301 268 Y HA 0.177 4.857 4.550 -0.435 -0.391 0.295 268 Y C -0.210 175.250 175.900 -0.734 0.000 1.126 268 Y CA 0.117 57.931 58.100 -0.477 0.000 1.154 268 Y CB 1.648 39.817 38.460 -0.486 0.000 1.075 268 Y HN 0.189 8.308 8.280 -0.267 0.000 0.534 269 F N -5.001 114.980 119.950 0.052 0.000 2.577 269 F HA 0.705 5.445 4.527 -0.054 -0.245 0.318 269 F C -1.882 173.917 175.800 -0.001 0.000 1.065 269 F CA -2.104 55.882 58.000 -0.024 0.000 0.929 269 F CB 4.880 43.836 39.000 -0.074 0.000 1.237 269 F HN -0.854 7.533 8.300 0.144 0.000 0.468 270 A N -0.528 122.427 122.820 0.226 0.000 2.355 270 A HA 1.187 5.774 4.320 0.163 -0.169 0.317 270 A C -1.307 176.345 177.584 0.115 0.000 1.094 270 A CA -2.766 49.382 52.037 0.185 0.000 0.764 270 A CB 3.514 22.663 19.000 0.248 0.000 1.230 270 A HN 1.233 9.390 8.150 0.211 0.120 0.448 271 G N 0.013 108.864 108.800 0.084 0.000 2.319 271 G HA2 0.688 4.672 3.960 0.041 0.000 0.308 271 G HA3 0.688 5.026 3.960 0.043 -0.352 0.308 271 G C -1.081 173.848 174.900 0.049 0.000 1.117 271 G CA -0.678 44.453 45.100 0.052 0.000 0.903 271 G HN 0.715 9.056 8.290 0.085 0.000 0.436 272 V N -0.902 119.034 119.914 0.037 0.000 3.398 272 V HA 0.561 4.696 4.120 0.025 0.000 0.298 272 V C -1.820 174.286 176.094 0.020 0.000 1.496 272 V CA -1.783 60.533 62.300 0.027 0.000 1.044 272 V CB 1.424 33.261 31.823 0.023 0.000 0.880 272 V HN 0.392 8.603 8.190 0.035 0.000 0.443 273 S N -2.420 113.293 115.700 0.021 0.000 2.636 273 S HA 0.228 4.851 4.470 0.016 -0.143 0.268 273 S C 0.023 174.633 174.600 0.016 0.000 1.159 273 S CA -0.411 57.800 58.200 0.018 0.000 0.815 273 S CB 2.069 65.279 63.200 0.017 0.000 1.130 273 S HN -0.872 7.452 8.310 0.023 0.000 0.471 274 E N 0.447 120.655 120.200 0.014 0.000 2.502 274 E HA -0.129 4.228 4.350 0.012 0.000 0.194 274 E C -0.408 176.199 176.600 0.012 0.000 1.062 274 E CA 0.530 56.937 56.400 0.012 0.000 0.867 274 E CB -0.710 28.997 29.700 0.010 0.000 0.888 274 E HN 0.303 8.671 8.360 0.013 0.000 0.510 275 K N 2.448 122.856 120.400 0.014 0.000 2.412 275 K HA 0.125 4.453 4.320 0.013 0.000 0.281 275 K C -0.263 176.346 176.600 0.016 0.000 1.027 275 K CA -2.554 53.742 56.287 0.015 0.000 0.989 275 K CB -1.835 30.676 32.500 0.018 0.000 0.935 275 K HN 0.580 8.750 8.250 0.015 0.088 0.475 276 P HA -0.301 4.125 4.420 0.011 0.000 0.218 276 P C -0.352 176.962 177.300 0.022 0.000 1.147 276 P CA 2.631 65.740 63.100 0.014 0.000 0.827 276 P CB 0.180 31.888 31.700 0.013 0.000 0.778 277 E N -5.557 114.660 120.200 0.028 0.000 2.489 277 E HA -0.045 4.337 4.350 0.053 0.000 0.193 277 E C 1.114 177.743 176.600 0.048 0.000 1.057 277 E CA 0.348 56.774 56.400 0.043 0.000 0.866 277 E CB -0.926 28.798 29.700 0.039 0.000 0.916 277 E HN 0.248 8.550 8.360 0.024 0.072 0.500 278 G N 0.116 108.935 108.800 0.032 0.000 3.414 278 G HA2 0.019 4.013 3.960 0.025 0.000 0.258 278 G HA3 0.019 4.001 3.960 0.037 0.000 0.258 278 G C -2.496 172.420 174.900 0.027 0.000 1.348 278 G CA -0.092 45.026 45.100 0.031 0.000 1.319 278 G HN 0.823 8.778 8.290 0.026 0.350 0.555 279 L N -0.586 120.651 121.223 0.023 0.000 2.385 279 L HA 0.936 5.711 4.340 0.016 -0.426 0.273 279 L C -2.255 174.606 176.870 -0.015 0.000 0.990 279 L CA -0.787 54.049 54.840 -0.007 0.000 0.821 279 L CB 3.549 45.561 42.059 -0.078 0.000 1.279 279 L HN -0.803 7.300 8.230 0.034 0.147 0.412 280 E N 4.675 124.887 120.200 0.020 0.000 2.367 280 E HA 0.500 4.842 4.350 -0.012 0.000 0.273 280 E C -2.829 173.769 176.600 -0.003 0.000 0.903 280 E CA -3.428 52.984 56.400 0.020 0.000 0.764 280 E CB 2.522 32.272 29.700 0.084 0.000 1.252 280 E HN 0.976 9.370 8.360 0.057 0.000 0.446 281 P HA 0.062 4.477 4.420 -0.537 -0.317 0.266 281 P C -1.185 175.771 177.300 -0.573 0.000 1.193 281 P CA 0.302 63.141 63.100 -0.435 0.000 0.770 281 P CB 0.438 31.860 31.700 -0.463 0.000 0.836 282 F N 4.727 124.294 119.950 -0.638 0.000 2.411 282 F HA 0.027 4.367 4.527 -0.312 0.000 0.350 282 F C -2.316 173.167 175.800 -0.528 0.000 1.114 282 F CA -0.210 57.528 58.000 -0.437 0.000 1.135 282 F CB 2.391 41.245 39.000 -0.243 0.000 1.120 282 F HN 0.021 8.126 8.300 -0.325 0.000 0.495 283 Y N 6.659 126.595 120.300 -0.607 0.000 2.555 283 Y HA 0.365 4.782 4.550 -0.221 0.000 0.326 283 Y C -1.627 173.944 175.900 -0.547 0.000 0.984 283 Y CA -3.515 54.347 58.100 -0.397 0.000 1.298 283 Y CB 0.454 38.774 38.460 -0.234 0.000 1.094 283 Y HN 0.274 8.071 8.280 -0.805 0.000 0.500 284 P HA -0.196 4.046 4.420 -0.296 0.000 0.218 284 P C 1.180 178.397 177.300 -0.139 0.000 1.149 284 P CA 2.230 65.228 63.100 -0.170 0.000 0.817 284 P CB 0.523 32.271 31.700 0.080 0.000 0.785 285 E N -1.400 118.743 120.200 -0.094 0.000 2.072 285 E HA -0.357 3.854 4.350 -0.231 0.000 0.191 285 E C 1.873 178.382 176.600 -0.151 0.000 0.985 285 E CA 3.313 59.630 56.400 -0.139 0.000 0.801 285 E CB -0.502 29.176 29.700 -0.037 0.000 0.750 285 E HN 0.369 8.706 8.360 -0.038 0.000 0.452 286 R N -1.609 118.832 120.500 -0.099 0.000 2.092 286 R HA -0.311 3.997 4.340 -0.053 0.000 0.231 286 R C 2.479 178.712 176.300 -0.113 0.000 1.119 286 R CA 3.225 59.272 56.100 -0.087 0.000 0.970 286 R CB -0.169 30.076 30.300 -0.091 0.000 0.864 286 R HN -0.720 7.505 8.270 -0.074 0.000 0.440 287 L N -0.739 120.382 121.223 -0.170 0.000 2.093 287 L HA -0.165 4.079 4.340 -0.160 0.000 0.208 287 L C 1.154 177.963 176.870 -0.101 0.000 1.085 287 L CA 2.152 56.894 54.840 -0.164 0.000 0.755 287 L CB -0.514 41.409 42.059 -0.225 0.000 0.904 287 L HN -0.276 7.724 8.230 -0.206 0.107 0.435 288 A N -0.914 121.816 122.820 -0.150 0.000 1.948 288 A HA -0.410 3.862 4.320 -0.081 0.000 0.220 288 A C 1.757 179.280 177.584 -0.103 0.000 1.177 288 A CA 3.247 55.172 52.037 -0.188 0.000 0.636 288 A CB -0.826 17.883 19.000 -0.485 0.000 0.815 288 A HN 0.043 8.003 8.150 -0.188 0.077 0.449 289 G N -3.132 105.633 108.800 -0.058 0.000 2.408 289 G HA2 -0.275 3.790 3.960 0.176 0.000 0.215 289 G HA3 -0.275 3.834 3.960 0.249 0.000 0.215 289 G C 0.887 175.824 174.900 0.062 0.000 1.156 289 G CA 1.089 46.266 45.100 0.128 0.000 0.793 289 G HN -0.082 8.039 8.290 -0.105 0.105 0.535 290 R N 2.782 123.281 120.500 -0.002 0.000 2.081 290 R HA -0.231 4.102 4.340 -0.012 0.000 0.235 290 R C 2.766 179.061 176.300 -0.008 0.000 1.131 290 R CA 2.850 58.935 56.100 -0.024 0.000 0.960 290 R CB -0.028 30.223 30.300 -0.081 0.000 0.856 290 R HN -0.429 7.649 8.270 -0.030 0.174 0.436 291 I N -0.642 119.932 120.570 0.006 0.000 2.208 291 I HA -0.392 3.810 4.170 0.053 0.000 0.245 291 I C 1.478 177.633 176.117 0.063 0.000 1.097 291 I CA 3.955 65.288 61.300 0.055 0.000 1.363 291 I CB 0.236 38.300 38.000 0.106 0.000 1.051 291 I HN 0.101 8.308 8.210 -0.004 0.000 0.413 292 L N -5.687 115.582 121.223 0.076 0.000 2.591 292 L HA -0.097 4.294 4.340 0.084 0.000 0.228 292 L C -0.069 176.843 176.870 0.070 0.000 1.133 292 L CA -0.153 54.742 54.840 0.091 0.000 0.880 292 L CB 0.144 42.291 42.059 0.147 0.000 1.033 292 L HN -0.820 7.223 8.230 0.077 0.233 0.450 293 G N -1.607 107.224 108.800 0.051 0.000 2.212 293 G HA2 -0.378 3.770 3.960 0.033 0.000 0.255 293 G HA3 -0.378 3.597 3.960 0.025 0.000 0.255 293 G C -0.431 174.490 174.900 0.035 0.000 1.062 293 G CA 0.326 45.447 45.100 0.035 0.000 0.815 293 G HN -0.071 7.891 8.290 0.046 0.356 0.497 294 M N -0.909 118.719 119.600 0.047 0.000 2.494 294 M HA 0.083 4.581 4.480 0.030 0.000 0.300 294 M C 0.119 176.434 176.300 0.025 0.000 1.189 294 M CA -0.217 55.108 55.300 0.042 0.000 0.982 294 M CB 2.489 35.134 32.600 0.076 0.000 1.534 294 M HN -0.449 7.875 8.290 0.057 0.000 0.488 295 G N -0.238 108.571 108.800 0.016 0.000 2.442 295 G HA2 -0.123 3.837 3.960 0.001 0.000 0.249 295 G HA3 -0.123 3.838 3.960 0.001 0.000 0.249 295 G C -0.872 174.028 174.900 0.002 0.000 1.263 295 G CA -1.060 44.042 45.100 0.004 0.000 0.846 295 G HN 0.238 8.536 8.290 0.014 0.000 0.555 296 D N 0.000 120.397 120.400 -0.004 0.000 6.856 296 D HA 0.000 4.631 4.640 -0.015 0.000 0.175 296 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 296 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 296 D HN 0.000 8.367 8.370 -0.006 0.000 0.683