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 2qkf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDIKINDITL GNNSPFVLFG GINVLESLDS TLQTCAHYVE VTRKLGIPYI DATA SEQUENCE FKASFDKANR SSIHSYRGVG LEEGLKIFEK VKAEFGIPVI TDVHEPHQCQ DATA SEQUENCE PVAEVCDVIQ LPAFLARQTD LVVAMAKTGN VVNIKKPQFL SPSQMKNIVE DATA SEQUENCE KFHEAGNGKL ILCERGSSFG YDNLVVDMLG FGVMKQTCGN LPVIFDVTHS DATA SEQUENCE LQXXXXXXXX XXGRRAQALD LALAGMATRL AGLFLESXXX XXXXXXXXXX DATA SEQUENCE XXXLHLLEDF LIRIKALDDL IKSQPIL 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 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.032 0.000 1.140 1 M CA 0.000 55.318 55.300 0.029 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 D N 4.418 124.835 120.400 0.029 0.000 2.253 2 D HA 0.654 5.295 4.640 0.003 0.000 0.249 2 D C -0.635 175.683 176.300 0.030 0.000 1.049 2 D CA 0.090 54.109 54.000 0.031 0.000 0.929 2 D CB 1.718 42.534 40.800 0.027 0.000 1.176 2 D HN 0.536 8.906 8.370 0.000 0.000 0.437 3 I N 1.430 122.021 120.570 0.034 0.000 2.436 3 I HA 0.162 4.334 4.170 0.003 0.000 0.289 3 I C 0.128 176.260 176.117 0.025 0.000 1.010 3 I CA -0.932 60.386 61.300 0.030 0.000 1.098 3 I CB 1.477 39.498 38.000 0.034 0.000 1.266 3 I HN -0.169 8.041 8.210 0.000 0.000 0.434 4 K N 7.232 127.641 120.400 0.016 0.000 2.258 4 K HA 0.537 4.858 4.320 0.003 0.000 0.284 4 K C -0.622 175.979 176.600 0.003 0.000 1.051 4 K CA -0.241 56.051 56.287 0.007 0.000 0.923 4 K CB 1.376 33.879 32.500 0.005 0.000 1.046 4 K HN 0.533 8.783 8.250 0.000 0.000 0.474 5 I N 3.859 124.425 120.570 -0.007 0.000 2.464 5 I HA 0.077 4.249 4.170 0.003 0.000 0.277 5 I C 0.478 176.578 176.117 -0.027 0.000 1.040 5 I CA -0.360 60.929 61.300 -0.017 0.000 1.153 5 I CB 0.336 38.321 38.000 -0.026 0.000 1.274 5 I HN 0.758 8.968 8.210 0.000 0.000 0.469 6 N N 3.326 122.016 118.700 -0.018 0.000 1.347 6 N HA -0.287 4.454 4.740 0.003 0.000 0.141 6 N C 0.191 175.692 175.510 -0.014 0.000 0.677 6 N CA 1.676 54.717 53.050 -0.015 0.000 1.016 6 N CB -0.465 38.011 38.487 -0.018 0.000 1.268 6 N HN 0.632 9.012 8.380 0.000 0.000 0.487 7 D N 0.897 121.287 120.400 -0.017 0.000 2.340 7 D HA 0.253 4.895 4.640 0.003 0.000 0.217 7 D C -0.124 176.163 176.300 -0.022 0.000 1.081 7 D CA 0.233 54.224 54.000 -0.015 0.000 0.842 7 D CB 0.149 40.942 40.800 -0.011 0.000 0.934 7 D HN 0.231 8.601 8.370 0.000 0.000 0.511 8 I N 1.139 121.689 120.570 -0.033 0.000 2.395 8 I HA 0.044 4.215 4.170 0.003 0.000 0.289 8 I C 0.359 176.462 176.117 -0.025 0.000 1.023 8 I CA 0.176 61.449 61.300 -0.044 0.000 1.350 8 I CB 1.382 39.333 38.000 -0.081 0.000 1.409 8 I HN -0.343 7.867 8.210 0.000 0.000 0.507 9 T N 7.714 122.258 114.554 -0.016 0.000 2.753 9 T HA 0.383 4.735 4.350 0.003 0.000 0.297 9 T C -0.401 174.308 174.700 0.015 0.000 0.981 9 T CA -0.329 61.772 62.100 0.002 0.000 0.956 9 T CB 0.702 69.573 68.868 0.005 0.000 0.936 9 T HN 0.234 8.474 8.240 0.000 0.000 0.463 10 L N 4.048 125.292 121.223 0.035 0.000 2.272 10 L HA 0.816 5.158 4.340 0.003 0.000 0.289 10 L C 0.158 177.072 176.870 0.073 0.000 1.032 10 L CA 0.448 55.332 54.840 0.073 0.000 0.810 10 L CB 0.504 42.634 42.059 0.118 0.000 1.205 10 L HN 0.776 9.006 8.230 0.000 0.000 0.422 11 G N 2.928 111.776 108.800 0.080 0.000 2.466 11 G HA2 0.097 4.059 3.960 0.003 0.000 0.291 11 G HA3 0.097 4.059 3.960 0.003 0.000 0.291 11 G C -0.388 174.554 174.900 0.070 0.000 1.460 11 G CA -0.684 44.456 45.100 0.068 0.000 0.791 11 G HN 0.399 8.689 8.290 0.000 0.000 0.505 12 N N -0.108 118.625 118.700 0.056 0.000 2.550 12 N HA -0.044 4.698 4.740 0.003 0.000 0.186 12 N C 0.941 176.476 175.510 0.041 0.000 1.110 12 N CA 0.521 53.600 53.050 0.049 0.000 0.912 12 N CB 0.314 38.823 38.487 0.037 0.000 0.968 12 N HN 0.409 8.789 8.380 0.000 0.000 0.448 13 N N -0.267 118.457 118.700 0.040 0.000 2.282 13 N HA 0.150 4.891 4.740 0.003 0.000 0.240 13 N C -1.015 174.519 175.510 0.040 0.000 1.182 13 N CA -0.072 52.999 53.050 0.034 0.000 0.874 13 N CB 0.482 38.984 38.487 0.025 0.000 1.126 13 N HN -0.142 8.238 8.380 0.000 0.000 0.516 14 S N 0.537 116.268 115.700 0.052 0.000 2.681 14 S HA 0.598 5.070 4.470 0.003 0.000 0.299 14 S C -2.618 172.025 174.600 0.073 0.000 1.113 14 S CA -1.089 57.141 58.200 0.050 0.000 1.013 14 S CB 1.744 64.970 63.200 0.043 0.000 1.076 14 S HN 0.071 8.381 8.310 0.000 0.000 0.534 15 P HA 0.089 4.509 4.420 0.000 0.000 0.265 15 P C -0.308 177.046 177.300 0.090 0.000 1.193 15 P CA -0.208 62.940 63.100 0.079 0.000 0.765 15 P CB -0.083 31.625 31.700 0.015 0.000 0.823 16 F N 2.739 122.717 119.950 0.047 0.000 2.553 16 F HA 0.306 4.834 4.527 0.003 0.000 0.356 16 F C -0.546 175.303 175.800 0.081 0.000 1.142 16 F CA -0.670 57.376 58.000 0.077 0.000 1.322 16 F CB 0.076 39.127 39.000 0.085 0.000 1.126 16 F HN -0.000 8.300 8.300 0.000 0.000 0.599 17 V N 5.833 125.758 119.914 0.017 0.000 2.427 17 V HA 0.281 4.403 4.120 0.003 0.000 0.286 17 V C -0.245 175.899 176.094 0.083 0.000 1.034 17 V CA -0.849 61.370 62.300 -0.134 0.000 0.893 17 V CB 1.205 32.958 31.823 -0.116 0.000 0.982 17 V HN 0.846 9.036 8.190 0.000 0.000 0.452 18 L N 5.685 126.872 121.223 -0.061 0.000 2.290 18 L HA 0.556 4.898 4.340 0.003 0.000 0.284 18 L C -0.938 175.928 176.870 -0.007 0.000 1.078 18 L CA 0.403 55.372 54.840 0.215 0.000 0.815 18 L CB 0.431 42.661 42.059 0.285 0.000 1.162 18 L HN 0.448 8.678 8.230 0.000 0.000 0.435 19 F N 4.308 124.260 119.950 0.003 0.000 2.375 19 F HA 0.746 5.275 4.527 0.003 0.000 0.361 19 F C 0.795 176.338 175.800 -0.429 0.000 1.117 19 F CA -0.502 57.327 58.000 -0.285 0.000 1.037 19 F CB 1.614 40.415 39.000 -0.332 0.000 1.192 19 F HN 0.579 8.879 8.300 0.000 0.000 0.452 20 G N 0.539 109.162 108.800 -0.296 0.000 2.733 20 G HA2 0.642 4.604 3.960 0.003 0.000 0.297 20 G HA3 0.642 4.604 3.960 0.003 0.000 0.297 20 G C -0.655 173.757 174.900 -0.812 0.000 1.422 20 G CA -0.189 44.653 45.100 -0.430 0.000 0.942 20 G HN 0.983 9.273 8.290 0.000 0.000 0.510 21 G N 0.013 108.386 108.800 -0.711 0.000 2.623 21 G HA2 0.558 4.520 3.960 0.003 0.000 0.085 21 G HA3 0.558 4.520 3.960 0.003 0.000 0.085 21 G C -0.839 173.982 174.900 -0.132 0.000 1.116 21 G CA 0.191 44.957 45.100 -0.557 0.000 1.200 21 G HN 1.492 9.782 8.290 0.000 0.000 0.556 22 I N -1.293 119.199 120.570 -0.129 0.000 3.002 22 I HA 0.556 4.728 4.170 0.003 0.000 0.310 22 I C 0.942 177.074 176.117 0.025 0.000 1.087 22 I CA -0.826 60.494 61.300 0.034 0.000 1.017 22 I CB 2.211 40.291 38.000 0.133 0.000 1.226 22 I HN 0.617 8.827 8.210 0.000 0.000 0.443 23 N N 1.173 119.920 118.700 0.078 0.000 2.022 23 N HA -0.116 4.625 4.740 0.003 0.000 0.194 23 N C 0.075 175.638 175.510 0.089 0.000 1.057 23 N CA 1.326 54.437 53.050 0.103 0.000 0.849 23 N CB 0.483 39.037 38.487 0.111 0.000 1.044 23 N HN 0.495 8.875 8.380 0.000 0.000 0.424 24 V N 1.191 121.163 119.914 0.098 0.000 2.841 24 V HA 0.369 4.491 4.120 0.003 0.000 0.310 24 V C -0.899 175.268 176.094 0.121 0.000 1.090 24 V CA -0.795 61.558 62.300 0.088 0.000 0.930 24 V CB 1.861 33.723 31.823 0.065 0.000 1.014 24 V HN 0.104 8.294 8.190 0.000 0.000 0.425 25 L N 5.108 126.391 121.223 0.100 0.000 2.410 25 L HA 0.331 4.673 4.340 0.003 0.000 0.273 25 L C 1.136 178.106 176.870 0.168 0.000 1.144 25 L CA 0.216 55.115 54.840 0.099 0.000 0.863 25 L CB 1.080 43.151 42.059 0.020 0.000 1.140 25 L HN 0.857 9.087 8.230 0.000 0.000 0.463 26 E N 0.312 120.625 120.200 0.187 0.000 2.288 26 E HA 0.106 4.458 4.350 0.003 0.000 0.200 26 E C 0.184 176.877 176.600 0.155 0.000 0.880 26 E CA 0.510 57.063 56.400 0.256 0.000 0.971 26 E CB 1.297 31.098 29.700 0.167 0.000 0.954 26 E HN 0.815 9.175 8.360 0.000 0.000 0.489 27 S N -0.585 115.170 115.700 0.092 0.000 2.537 27 S HA 0.424 4.895 4.470 0.003 0.000 0.270 27 S C 0.423 175.047 174.600 0.041 0.000 1.142 27 S CA -0.560 57.676 58.200 0.059 0.000 0.870 27 S CB 1.750 64.975 63.200 0.040 0.000 1.112 27 S HN 0.139 8.449 8.310 0.000 0.000 0.466 28 L N 1.273 122.512 121.223 0.028 0.000 2.043 28 L HA -0.085 4.257 4.340 0.003 0.000 0.212 28 L C 1.651 178.535 176.870 0.024 0.000 1.075 28 L CA 2.267 57.117 54.840 0.016 0.000 0.752 28 L CB -0.825 41.242 42.059 0.013 0.000 0.891 28 L HN 0.856 9.086 8.230 0.000 0.000 0.432 29 D N -1.143 119.273 120.400 0.027 0.000 2.137 29 D HA -0.106 4.536 4.640 0.003 0.000 0.202 29 D C 2.271 178.595 176.300 0.040 0.000 0.970 29 D CA 1.506 55.524 54.000 0.030 0.000 0.837 29 D CB -0.004 40.809 40.800 0.022 0.000 0.981 29 D HN 0.581 8.951 8.370 0.000 0.000 0.475 30 S N 0.391 116.115 115.700 0.040 0.000 2.383 30 S HA -0.119 4.353 4.470 0.003 0.000 0.227 30 S C 2.080 176.723 174.600 0.072 0.000 1.026 30 S CA 1.248 59.478 58.200 0.051 0.000 0.981 30 S CB -0.662 62.567 63.200 0.048 0.000 0.818 30 S HN 0.072 8.382 8.310 0.000 0.000 0.472 31 T N 3.359 117.952 114.554 0.065 0.000 2.674 31 T HA 0.064 4.415 4.350 0.003 0.000 0.265 31 T C 1.743 176.436 174.700 -0.011 0.000 1.039 31 T CA 1.617 63.752 62.100 0.058 0.000 1.150 31 T CB -0.623 68.257 68.868 0.019 0.000 0.864 31 T HN 0.318 8.558 8.240 0.000 0.000 0.427 32 L N 0.803 122.041 121.223 0.026 0.000 2.131 32 L HA -0.135 4.207 4.340 0.003 0.000 0.210 32 L C 2.917 179.865 176.870 0.130 0.000 1.092 32 L CA 1.285 56.194 54.840 0.116 0.000 0.759 32 L CB -0.568 41.578 42.059 0.146 0.000 0.903 32 L HN 0.334 8.564 8.230 0.000 0.000 0.435 33 Q N -0.254 119.601 119.800 0.092 0.000 2.050 33 Q HA -0.191 4.150 4.340 0.003 0.000 0.202 33 Q C 2.081 178.140 176.000 0.098 0.000 0.980 33 Q CA 2.272 58.128 55.803 0.088 0.000 0.840 33 Q CB 0.041 28.815 28.738 0.060 0.000 0.898 33 Q HN 0.464 8.734 8.270 0.000 0.000 0.424 34 T N -0.014 114.610 114.554 0.117 0.000 2.737 34 T HA -0.170 4.182 4.350 0.003 0.000 0.265 34 T C 1.912 176.762 174.700 0.250 0.000 1.038 34 T CA 1.139 63.369 62.100 0.217 0.000 1.144 34 T CB -0.670 68.366 68.868 0.280 0.000 0.866 34 T HN 0.439 8.679 8.240 0.000 0.000 0.434 35 C N 1.823 121.135 119.300 0.020 0.000 2.425 35 C HA 0.093 4.555 4.460 0.003 0.000 0.277 35 C C 3.135 177.877 174.990 -0.413 0.000 1.280 35 C CA 0.659 59.524 59.018 -0.256 0.000 1.744 35 C CB -1.525 25.696 27.740 -0.865 0.000 1.989 35 C HN 0.600 8.830 8.230 0.000 0.000 0.491 36 A N -0.567 122.076 122.820 -0.294 0.000 1.908 36 A HA -0.258 4.063 4.320 0.003 0.000 0.218 36 A C 1.986 179.575 177.584 0.009 0.000 1.181 36 A CA 2.402 54.397 52.037 -0.070 0.000 0.627 36 A CB -1.215 17.910 19.000 0.209 0.000 0.818 36 A HN 0.843 8.993 8.150 0.000 0.000 0.445 37 H N -1.776 117.265 119.070 -0.049 0.000 2.321 37 H HA -0.164 4.394 4.556 0.003 0.000 0.300 37 H C 1.771 177.001 175.328 -0.163 0.000 1.087 37 H CA 2.155 58.153 56.048 -0.082 0.000 1.319 37 H CB -0.523 29.185 29.762 -0.089 0.000 1.379 37 H HN 0.551 8.831 8.280 0.000 0.000 0.501 38 Y N -0.618 119.447 120.300 -0.393 0.000 2.181 38 Y HA -0.199 4.353 4.550 0.003 0.000 0.288 38 Y C 2.882 178.339 175.900 -0.739 0.000 1.146 38 Y CA 1.450 59.142 58.100 -0.680 0.000 1.164 38 Y CB -0.498 37.450 38.460 -0.854 0.000 0.982 38 Y HN 0.063 8.343 8.280 0.000 0.000 0.515 39 V N 0.269 119.953 119.914 -0.383 0.000 2.287 39 V HA -0.296 3.826 4.120 0.003 0.000 0.248 39 V C 2.426 178.437 176.094 -0.138 0.000 1.053 39 V CA 2.258 64.422 62.300 -0.227 0.000 1.027 39 V CB -0.545 31.196 31.823 -0.137 0.000 0.646 39 V HN 0.464 8.654 8.190 0.000 0.000 0.447 40 E N 0.283 120.417 120.200 -0.111 0.000 2.051 40 E HA -0.188 4.164 4.350 0.003 0.000 0.192 40 E C 2.228 178.759 176.600 -0.114 0.000 0.991 40 E CA 1.932 58.295 56.400 -0.062 0.000 0.799 40 E CB -0.124 29.574 29.700 -0.002 0.000 0.748 40 E HN 0.417 8.777 8.360 0.000 0.000 0.449 41 V N 1.485 121.266 119.914 -0.221 0.000 2.307 41 V HA -0.260 3.862 4.120 0.003 0.000 0.245 41 V C 2.844 178.841 176.094 -0.163 0.000 1.045 41 V CA 2.422 64.589 62.300 -0.221 0.000 1.024 41 V CB -1.136 30.460 31.823 -0.378 0.000 0.651 41 V HN 0.533 8.723 8.190 0.000 0.000 0.449 42 T N -0.919 113.514 114.554 -0.201 0.000 2.821 42 T HA -0.266 4.085 4.350 0.003 0.000 0.267 42 T C 1.960 176.610 174.700 -0.085 0.000 1.046 42 T CA 1.583 63.600 62.100 -0.138 0.000 1.139 42 T CB -0.393 68.373 68.868 -0.172 0.000 0.871 42 T HN 0.412 8.652 8.240 0.000 0.000 0.454 43 R N 2.240 122.696 120.500 -0.074 0.000 2.073 43 R HA -0.118 4.224 4.340 0.003 0.000 0.234 43 R C 2.618 178.898 176.300 -0.033 0.000 1.134 43 R CA 1.895 57.974 56.100 -0.035 0.000 0.952 43 R CB -0.268 30.024 30.300 -0.013 0.000 0.850 43 R HN 0.658 8.928 8.270 0.000 0.000 0.433 44 K N 0.208 120.584 120.400 -0.040 0.000 2.365 44 K HA -0.080 4.242 4.320 0.003 0.000 0.199 44 K C 1.648 178.232 176.600 -0.028 0.000 1.045 44 K CA 1.132 57.400 56.287 -0.031 0.000 0.962 44 K CB 0.007 32.487 32.500 -0.034 0.000 0.759 44 K HN 0.301 8.551 8.250 0.000 0.000 0.469 45 L N 0.520 121.723 121.223 -0.032 0.000 2.567 45 L HA 0.198 4.540 4.340 0.003 0.000 0.225 45 L C 0.783 177.643 176.870 -0.017 0.000 1.119 45 L CA 0.388 55.219 54.840 -0.016 0.000 0.871 45 L CB 0.033 42.089 42.059 -0.005 0.000 1.036 45 L HN 0.573 8.803 8.230 0.000 0.000 0.459 46 G N 1.669 110.450 108.800 -0.031 0.000 2.198 46 G HA2 -0.279 3.683 3.960 0.003 0.000 0.257 46 G HA3 -0.279 3.683 3.960 0.003 0.000 0.257 46 G C -0.056 174.802 174.900 -0.070 0.000 1.042 46 G CA -0.072 45.005 45.100 -0.037 0.000 0.791 46 G HN 0.306 8.596 8.290 0.000 0.000 0.502 47 I N 1.046 121.555 120.570 -0.101 0.000 2.339 47 I HA 0.327 4.499 4.170 0.003 0.000 0.290 47 I C -1.910 174.106 176.117 -0.169 0.000 0.994 47 I CA -2.630 58.544 61.300 -0.211 0.000 1.191 47 I CB 1.871 39.717 38.000 -0.257 0.000 1.343 47 I HN -0.127 8.083 8.210 0.000 0.000 0.458 48 P HA 0.023 4.443 4.420 0.000 0.000 0.269 48 P C -1.449 175.785 177.300 -0.110 0.000 1.209 48 P CA 0.166 63.185 63.100 -0.136 0.000 0.776 48 P CB 0.290 31.896 31.700 -0.156 0.000 0.876 49 Y N 2.709 122.878 120.300 -0.219 0.000 2.433 49 Y HA 0.589 5.140 4.550 0.003 0.000 0.337 49 Y C -1.458 174.294 175.900 -0.247 0.000 1.026 49 Y CA -1.069 56.897 58.100 -0.222 0.000 1.037 49 Y CB 1.242 39.628 38.460 -0.122 0.000 1.245 49 Y HN 0.216 8.496 8.280 0.000 0.000 0.443 50 I N 7.423 127.373 120.570 -1.033 0.000 2.418 50 I HA 0.262 4.434 4.170 0.003 0.000 0.287 50 I C -1.095 174.349 176.117 -1.122 0.000 1.008 50 I CA -0.913 59.818 61.300 -0.949 0.000 1.104 50 I CB 1.452 38.962 38.000 -0.816 0.000 1.264 50 I HN 0.598 8.808 8.210 0.000 0.000 0.438 51 F N 8.071 127.432 119.950 -0.980 0.000 2.427 51 F HA 0.372 4.901 4.527 0.002 0.000 0.352 51 F C -0.014 175.637 175.800 -0.250 0.000 1.100 51 F CA -0.014 57.608 58.000 -0.631 0.000 1.191 51 F CB 0.568 39.389 39.000 -0.299 0.000 1.128 51 F HN 0.321 8.621 8.300 0.000 0.000 0.533 52 K N 5.318 125.027 120.400 -1.152 0.000 2.259 52 K HA 0.829 5.151 4.320 0.003 0.000 0.252 52 K C -1.844 174.254 176.600 -0.837 0.000 0.936 52 K CA -0.600 55.243 56.287 -0.741 0.000 0.810 52 K CB 1.558 33.737 32.500 -0.536 0.000 1.143 52 K HN 0.875 9.125 8.250 0.000 0.000 0.427 53 A N 1.987 124.676 122.820 -0.218 0.000 2.605 53 A HA 0.489 4.811 4.320 0.003 0.000 0.294 53 A C -1.413 176.310 177.584 0.233 0.000 1.062 53 A CA -0.697 51.337 52.037 -0.005 0.000 0.682 53 A CB 1.265 20.270 19.000 0.009 0.000 1.278 53 A HN 0.558 8.708 8.150 0.000 0.000 0.410 54 S N 0.772 116.547 115.700 0.125 0.000 2.508 54 S HA 0.490 4.962 4.470 0.003 0.000 0.284 54 S C 0.584 175.222 174.600 0.063 0.000 1.192 54 S CA -0.276 57.951 58.200 0.046 0.000 1.070 54 S CB 0.356 63.542 63.200 -0.024 0.000 1.004 54 S HN 0.968 9.278 8.310 0.000 0.000 0.493 55 F N 0.357 120.420 119.950 0.188 0.000 2.615 55 F HA 0.378 4.906 4.527 0.003 0.000 0.297 55 F C 0.485 176.308 175.800 0.039 0.000 1.124 55 F CA -0.309 57.757 58.000 0.109 0.000 1.451 55 F CB -0.115 38.983 39.000 0.164 0.000 1.103 55 F HN 0.459 8.759 8.300 0.000 0.000 0.569 56 D N 0.194 120.457 120.400 -0.228 0.000 2.857 56 D HA 0.208 4.850 4.640 0.003 0.000 0.227 56 D C -1.513 174.662 176.300 -0.209 0.000 1.192 56 D CA -0.717 53.181 54.000 -0.171 0.000 0.857 56 D CB 2.162 42.877 40.800 -0.142 0.000 1.645 56 D HN -0.112 8.258 8.370 0.000 0.000 0.482 57 K N 2.350 122.644 120.400 -0.178 0.000 2.266 57 K HA 0.665 4.987 4.320 0.003 0.000 0.274 57 K C 0.646 177.135 176.600 -0.184 0.000 1.090 57 K CA 0.271 56.469 56.287 -0.147 0.000 0.925 57 K CB 0.282 32.718 32.500 -0.107 0.000 1.225 57 K HN 0.537 8.787 8.250 0.000 0.000 0.458 58 A N 3.578 126.243 122.820 -0.258 0.000 1.930 58 A HA 0.036 4.358 4.320 0.003 0.000 0.215 58 A C 1.133 178.612 177.584 -0.176 0.000 1.176 58 A CA 1.105 52.960 52.037 -0.303 0.000 0.632 58 A CB -0.305 18.360 19.000 -0.559 0.000 0.819 58 A HN 0.701 8.851 8.150 0.000 0.000 0.445 59 N N 0.769 119.374 118.700 -0.158 0.000 2.485 59 N HA 0.281 5.023 4.740 0.003 0.000 0.243 59 N C -0.903 174.553 175.510 -0.090 0.000 0.987 59 N CA -0.248 52.719 53.050 -0.140 0.000 0.940 59 N CB 0.281 38.657 38.487 -0.185 0.000 1.122 59 N HN 0.281 8.661 8.380 0.000 0.000 0.509 60 R N 1.281 121.737 120.500 -0.073 0.000 2.664 60 R HA 0.304 4.645 4.340 0.003 0.000 0.286 60 R C 1.354 177.637 176.300 -0.028 0.000 0.967 60 R CA -0.615 55.460 56.100 -0.041 0.000 0.933 60 R CB 1.218 31.494 30.300 -0.040 0.000 1.146 60 R HN 0.657 8.927 8.270 0.000 0.000 0.468 61 S N 0.602 116.300 115.700 -0.003 0.000 2.353 61 S HA -0.145 4.327 4.470 0.003 0.000 0.222 61 S C 1.106 175.707 174.600 0.001 0.000 1.035 61 S CA 0.889 59.091 58.200 0.003 0.000 1.025 61 S CB -0.066 63.147 63.200 0.022 0.000 0.902 61 S HN 0.489 8.799 8.310 0.000 0.000 0.440 62 S N -0.065 115.643 115.700 0.014 0.000 2.664 62 S HA 0.575 5.046 4.470 0.003 0.000 0.304 62 S C 1.007 175.584 174.600 -0.038 0.000 1.099 62 S CA -0.581 57.625 58.200 0.010 0.000 1.003 62 S CB 1.139 64.384 63.200 0.075 0.000 1.092 62 S HN 0.460 8.770 8.310 0.000 0.000 0.525 63 I N 0.377 120.872 120.570 -0.126 0.000 2.756 63 I HA 0.032 4.204 4.170 0.003 0.000 0.262 63 I C 1.333 177.296 176.117 -0.256 0.000 1.225 63 I CA 1.197 62.365 61.300 -0.221 0.000 1.472 63 I CB -0.322 37.489 38.000 -0.314 0.000 1.094 63 I HN 0.587 8.797 8.210 0.000 0.000 0.454 64 H N 0.732 119.811 119.070 0.015 0.000 2.562 64 H HA 0.315 4.873 4.556 0.002 0.000 0.267 64 H C 1.159 176.511 175.328 0.041 0.000 0.959 64 H CA 0.046 56.109 56.048 0.025 0.000 1.204 64 H CB 0.080 29.856 29.762 0.024 0.000 1.430 64 H HN 0.320 8.600 8.280 0.000 0.000 0.545 65 S N 1.300 117.078 115.700 0.130 0.000 2.559 65 S HA -0.131 4.341 4.470 0.003 0.000 0.282 65 S C 1.221 175.907 174.600 0.143 0.000 1.336 65 S CA -0.066 58.209 58.200 0.126 0.000 1.037 65 S CB 0.629 63.880 63.200 0.084 0.000 0.853 65 S HN 0.358 8.668 8.310 0.000 0.000 0.523 66 Y N 3.129 123.453 120.300 0.039 0.000 1.888 66 Y HA -0.389 4.163 4.550 0.002 0.000 0.236 66 Y C 2.209 178.130 175.900 0.035 0.000 1.145 66 Y CA 2.787 60.908 58.100 0.036 0.000 1.055 66 Y CB -0.283 38.196 38.460 0.032 0.000 0.893 66 Y HN 0.839 9.119 8.280 0.000 0.000 0.506 67 R N -2.404 117.834 120.500 -0.437 0.000 2.481 67 R HA -0.111 4.230 4.340 0.003 0.000 0.307 67 R C 0.592 176.499 176.300 -0.655 0.000 0.473 67 R CA 0.884 56.719 56.100 -0.441 0.000 1.513 67 R CB -1.592 28.564 30.300 -0.241 0.000 1.555 67 R HN 1.393 9.663 8.270 0.000 0.000 0.362 68 G N -0.993 106.960 108.800 -1.412 0.000 2.592 68 G HA2 -0.182 3.780 3.960 0.003 0.000 0.684 68 G HA3 -0.182 3.780 3.960 0.003 0.000 0.684 68 G C 0.398 175.135 174.900 -0.272 0.000 1.291 68 G CA 0.327 44.978 45.100 -0.749 0.000 0.891 68 G HN 0.917 9.207 8.290 0.000 0.000 0.544 69 V N -1.281 118.633 119.914 -0.000 0.000 2.626 69 V HA 0.439 4.561 4.120 0.003 0.000 0.252 69 V C 2.049 178.190 176.094 0.079 0.000 1.067 69 V CA 1.911 64.257 62.300 0.077 0.000 1.081 69 V CB -1.219 30.664 31.823 0.099 0.000 0.686 69 V HN 2.914 11.104 8.190 0.000 0.000 0.468 70 G N -0.556 108.324 108.800 0.133 0.000 2.756 70 G HA2 -0.212 3.750 3.960 0.003 0.000 0.678 70 G HA3 -0.212 3.750 3.960 0.003 0.000 0.678 70 G C -0.112 174.875 174.900 0.144 0.000 1.349 70 G CA -0.022 45.195 45.100 0.194 0.000 0.847 70 G HN 0.672 8.963 8.290 0.000 0.000 0.548 71 L N 0.081 121.297 121.223 -0.012 0.000 1.994 71 L HA -0.002 4.340 4.340 0.003 0.000 0.208 71 L C 2.827 179.553 176.870 -0.240 0.000 1.071 71 L CA 2.741 57.284 54.840 -0.495 0.000 0.745 71 L CB -0.429 41.340 42.059 -0.484 0.000 0.892 71 L HN 0.866 9.096 8.230 0.000 0.000 0.431 72 E N -0.561 119.582 120.200 -0.096 0.000 2.048 72 E HA -0.295 4.057 4.350 0.003 0.000 0.202 72 E C 2.152 178.741 176.600 -0.017 0.000 1.021 72 E CA 1.723 58.097 56.400 -0.043 0.000 0.825 72 E CB -0.164 29.532 29.700 -0.007 0.000 0.756 72 E HN 0.460 8.819 8.360 0.000 0.000 0.454 73 E N -0.093 120.110 120.200 0.005 0.000 2.107 73 E HA -0.097 4.255 4.350 0.003 0.000 0.191 73 E C 2.173 178.784 176.600 0.019 0.000 0.982 73 E CA 0.844 57.257 56.400 0.021 0.000 0.809 73 E CB -0.261 29.461 29.700 0.036 0.000 0.756 73 E HN 0.304 8.664 8.360 0.000 0.000 0.459 74 G N 1.753 110.571 108.800 0.030 0.000 2.513 74 G HA2 -0.266 3.696 3.960 0.003 0.000 0.219 74 G HA3 -0.266 3.696 3.960 0.003 0.000 0.219 74 G C 1.730 176.680 174.900 0.083 0.000 1.160 74 G CA 0.916 46.044 45.100 0.048 0.000 0.767 74 G HN 0.233 8.523 8.290 0.000 0.000 0.571 75 L N -0.545 120.741 121.223 0.105 0.000 2.093 75 L HA -0.023 4.319 4.340 0.003 0.000 0.208 75 L C 2.936 179.892 176.870 0.144 0.000 1.085 75 L CA 1.142 56.094 54.840 0.187 0.000 0.755 75 L CB -0.351 41.738 42.059 0.050 0.000 0.904 75 L HN 0.124 8.354 8.230 0.000 0.000 0.435 76 K N 0.786 121.227 120.400 0.069 0.000 2.020 76 K HA -0.158 4.164 4.320 0.003 0.000 0.212 76 K C 1.919 178.551 176.600 0.053 0.000 1.050 76 K CA 1.596 57.913 56.287 0.051 0.000 0.929 76 K CB -0.378 32.139 32.500 0.028 0.000 0.714 76 K HN 0.156 8.406 8.250 0.000 0.000 0.443 77 I N -0.522 120.057 120.570 0.015 0.000 2.163 77 I HA -0.289 3.883 4.170 0.003 0.000 0.243 77 I C 1.913 178.031 176.117 0.002 0.000 1.085 77 I CA 1.386 62.665 61.300 -0.035 0.000 1.347 77 I CB -0.278 37.651 38.000 -0.119 0.000 1.044 77 I HN 0.101 8.311 8.210 0.000 0.000 0.408 78 F N 1.104 121.118 119.950 0.107 0.000 2.134 78 F HA -0.223 4.306 4.527 0.003 0.000 0.299 78 F C 2.561 178.406 175.800 0.074 0.000 1.097 78 F CA 1.254 59.326 58.000 0.119 0.000 1.264 78 F CB -0.292 38.787 39.000 0.133 0.000 1.001 78 F HN 0.066 8.366 8.300 0.000 0.000 0.479 79 E N 0.005 120.348 120.200 0.238 0.000 2.058 79 E HA -0.214 4.138 4.350 0.003 0.000 0.194 79 E C 2.302 178.959 176.600 0.094 0.000 0.997 79 E CA 1.724 58.204 56.400 0.134 0.000 0.801 79 E CB -0.104 29.649 29.700 0.089 0.000 0.746 79 E HN 0.152 8.512 8.360 0.000 0.000 0.450 80 K N 0.056 120.501 120.400 0.075 0.000 2.057 80 K HA -0.076 4.246 4.320 0.003 0.000 0.206 80 K C 2.285 178.915 176.600 0.051 0.000 1.050 80 K CA 0.923 57.232 56.287 0.036 0.000 0.935 80 K CB -0.822 31.687 32.500 0.016 0.000 0.715 80 K HN 0.059 8.309 8.250 0.000 0.000 0.439 81 V N 1.563 121.538 119.914 0.101 0.000 2.282 81 V HA -0.334 3.787 4.120 0.003 0.000 0.249 81 V C 2.338 178.568 176.094 0.227 0.000 1.057 81 V CA 2.060 64.470 62.300 0.183 0.000 1.032 81 V CB -0.471 31.383 31.823 0.051 0.000 0.645 81 V HN 0.447 8.637 8.190 0.000 0.000 0.447 82 K N -0.221 120.278 120.400 0.164 0.000 2.057 82 K HA -0.077 4.245 4.320 0.003 0.000 0.206 82 K C 2.296 178.942 176.600 0.076 0.000 1.050 82 K CA 1.367 57.731 56.287 0.128 0.000 0.935 82 K CB -0.417 32.145 32.500 0.104 0.000 0.715 82 K HN 0.489 8.739 8.250 0.000 0.000 0.439 83 A N 1.414 124.257 122.820 0.040 0.000 1.858 83 A HA -0.242 4.080 4.320 0.003 0.000 0.216 83 A C 2.104 179.642 177.584 -0.077 0.000 1.190 83 A CA 1.777 53.807 52.037 -0.011 0.000 0.617 83 A CB -0.513 18.476 19.000 -0.017 0.000 0.827 83 A HN 0.390 8.540 8.150 0.000 0.000 0.443 84 E N -1.448 118.655 120.200 -0.161 0.000 2.051 84 E HA -0.153 4.199 4.350 0.003 0.000 0.192 84 E C 1.402 177.701 176.600 -0.503 0.000 0.991 84 E CA 1.514 57.654 56.400 -0.433 0.000 0.799 84 E CB -0.166 29.090 29.700 -0.740 0.000 0.748 84 E HN 0.661 9.021 8.360 0.000 0.000 0.449 85 F N -1.244 118.702 119.950 -0.007 0.000 2.717 85 F HA 0.331 4.859 4.527 0.003 0.000 0.297 85 F C 1.417 177.225 175.800 0.013 0.000 1.113 85 F CA 0.267 58.271 58.000 0.007 0.000 1.319 85 F CB 1.063 40.071 39.000 0.013 0.000 1.097 85 F HN 0.164 8.464 8.300 0.000 0.000 0.595 86 G N 2.418 111.307 108.800 0.149 0.000 2.221 86 G HA2 -0.303 3.659 3.960 0.003 0.000 0.265 86 G HA3 -0.303 3.659 3.960 0.003 0.000 0.265 86 G C 0.114 175.066 174.900 0.087 0.000 1.041 86 G CA 0.480 45.632 45.100 0.087 0.000 0.807 86 G HN 0.503 8.793 8.290 0.000 0.000 0.502 87 I N -2.859 117.776 120.570 0.109 0.000 2.750 87 I HA 0.845 5.017 4.170 0.003 0.000 0.308 87 I C -2.225 173.894 176.117 0.003 0.000 1.016 87 I CA -3.333 57.995 61.300 0.046 0.000 1.098 87 I CB 1.849 39.878 38.000 0.049 0.000 1.279 87 I HN -0.116 8.094 8.210 0.000 0.000 0.454 88 P HA 0.320 4.740 4.420 0.000 0.000 0.274 88 P C -0.773 176.474 177.300 -0.088 0.000 1.246 88 P CA -0.358 62.697 63.100 -0.076 0.000 0.795 88 P CB 1.161 32.796 31.700 -0.108 0.000 1.006 89 V N -1.317 118.559 119.914 -0.064 0.000 3.102 89 V HA 0.741 4.863 4.120 0.003 0.000 0.312 89 V C -0.792 175.215 176.094 -0.145 0.000 1.135 89 V CA -1.055 61.212 62.300 -0.055 0.000 1.022 89 V CB 2.117 33.965 31.823 0.041 0.000 1.056 89 V HN 0.531 8.721 8.190 0.000 0.000 0.436 90 I N 1.333 121.807 120.570 -0.161 0.000 2.619 90 I HA 0.781 4.953 4.170 0.003 0.000 0.292 90 I C -0.735 175.299 176.117 -0.138 0.000 1.100 90 I CA 0.132 61.365 61.300 -0.113 0.000 1.043 90 I CB 2.156 40.191 38.000 0.058 0.000 1.239 90 I HN 1.056 9.266 8.210 0.000 0.000 0.420 91 T N 4.524 119.010 114.554 -0.113 0.000 2.883 91 T HA 0.408 4.759 4.350 0.003 0.000 0.301 91 T C -1.706 173.007 174.700 0.022 0.000 1.158 91 T CA -0.663 61.447 62.100 0.016 0.000 1.007 91 T CB 1.240 70.171 68.868 0.105 0.000 1.186 91 T HN 0.708 8.948 8.240 0.000 0.000 0.499 92 D N 1.611 122.008 120.400 -0.004 0.000 2.283 92 D HA 0.504 5.145 4.640 0.003 0.000 0.248 92 D C 0.163 176.396 176.300 -0.112 0.000 1.072 92 D CA -0.517 53.421 54.000 -0.102 0.000 0.929 92 D CB 1.257 41.957 40.800 -0.166 0.000 1.182 92 D HN 0.487 8.857 8.370 0.000 0.000 0.433 93 V N -1.859 117.954 119.914 -0.169 0.000 2.735 93 V HA 0.497 4.619 4.120 0.003 0.000 0.310 93 V C -0.612 175.330 176.094 -0.254 0.000 1.061 93 V CA -0.672 61.603 62.300 -0.041 0.000 0.913 93 V CB 1.774 33.624 31.823 0.046 0.000 1.005 93 V HN 0.676 8.866 8.190 0.000 0.000 0.428 94 H N 0.529 119.594 119.070 -0.009 0.000 3.241 94 H HA 0.475 5.032 4.556 0.003 0.000 0.260 94 H C -0.144 175.182 175.328 -0.003 0.000 1.084 94 H CA 0.109 56.141 56.048 -0.026 0.000 1.203 94 H CB 0.874 30.648 29.762 0.021 0.000 1.524 94 H HN 0.692 8.972 8.280 0.000 0.000 0.521 95 E N 0.462 120.722 120.200 0.100 0.000 2.256 95 E HA 0.182 4.534 4.350 0.003 0.000 0.268 95 E C -2.070 174.530 176.600 -0.001 0.000 0.877 95 E CA -2.008 54.438 56.400 0.076 0.000 0.757 95 E CB 2.329 32.116 29.700 0.146 0.000 1.183 95 E HN -0.039 8.321 8.360 0.000 0.000 0.418 96 P HA -0.226 4.194 4.420 0.000 0.000 0.216 96 P C 1.291 178.609 177.300 0.030 0.000 1.150 96 P CA 1.504 64.621 63.100 0.027 0.000 0.843 96 P CB -0.032 31.694 31.700 0.043 0.000 0.787 97 H N -0.053 119.040 119.070 0.038 0.000 2.421 97 H HA -0.059 4.499 4.556 0.003 0.000 0.298 97 H C 1.428 176.780 175.328 0.040 0.000 1.087 97 H CA 1.181 57.249 56.048 0.034 0.000 1.330 97 H CB -0.780 29.001 29.762 0.032 0.000 1.388 97 H HN 0.215 8.495 8.280 0.000 0.000 0.526 98 Q N 0.228 119.663 119.800 -0.609 0.000 2.291 98 Q HA -0.039 4.302 4.340 0.003 0.000 0.205 98 Q C 2.584 178.518 176.000 -0.109 0.000 0.970 98 Q CA 1.070 56.661 55.803 -0.354 0.000 0.876 98 Q CB 0.005 28.608 28.738 -0.226 0.000 0.935 98 Q HN 0.469 8.739 8.270 0.000 0.000 0.455 99 C N 0.371 119.634 119.300 -0.062 0.000 2.413 99 C HA -0.169 4.292 4.460 0.003 0.000 0.276 99 C C 2.640 177.626 174.990 -0.007 0.000 1.236 99 C CA 1.072 60.082 59.018 -0.013 0.000 1.735 99 C CB -0.703 27.038 27.740 0.001 0.000 2.031 99 C HN 0.527 8.757 8.230 0.000 0.000 0.474 100 Q N 1.197 120.995 119.800 -0.003 0.000 2.046 100 Q HA -0.069 4.272 4.340 0.003 0.000 0.200 100 Q C -0.300 175.696 176.000 -0.007 0.000 0.975 100 Q CA 2.192 57.996 55.803 0.002 0.000 0.836 100 Q CB -1.238 27.507 28.738 0.012 0.000 0.896 100 Q HN 0.455 8.725 8.270 0.000 0.000 0.428 101 P HA -0.123 4.297 4.420 0.000 0.000 0.217 101 P C 1.230 178.504 177.300 -0.043 0.000 1.150 101 P CA 1.109 64.194 63.100 -0.026 0.000 0.832 101 P CB -0.040 31.640 31.700 -0.033 0.000 0.787 102 V N 0.783 120.664 119.914 -0.055 0.000 2.358 102 V HA -0.196 3.926 4.120 0.003 0.000 0.246 102 V C 2.751 178.822 176.094 -0.038 0.000 1.047 102 V CA 2.168 64.438 62.300 -0.051 0.000 1.035 102 V CB -1.684 30.142 31.823 0.004 0.000 0.658 102 V HN 0.105 8.295 8.190 0.000 0.000 0.452 103 A N -0.697 122.109 122.820 -0.024 0.000 2.067 103 A HA -0.145 4.176 4.320 0.003 0.000 0.219 103 A C 2.130 179.702 177.584 -0.020 0.000 1.158 103 A CA 1.168 53.192 52.037 -0.022 0.000 0.661 103 A CB -0.328 18.668 19.000 -0.007 0.000 0.801 103 A HN 0.506 8.656 8.150 0.000 0.000 0.452 104 E N -0.146 120.044 120.200 -0.016 0.000 2.118 104 E HA -0.124 4.228 4.350 0.003 0.000 0.195 104 E C 1.996 178.590 176.600 -0.009 0.000 0.992 104 E CA 1.534 57.928 56.400 -0.009 0.000 0.804 104 E CB -0.280 29.418 29.700 -0.004 0.000 0.741 104 E HN 0.467 8.827 8.360 0.000 0.000 0.458 105 V N -0.027 119.877 119.914 -0.017 0.000 2.788 105 V HA -0.008 4.114 4.120 0.003 0.000 0.241 105 V C 1.132 177.193 176.094 -0.054 0.000 1.083 105 V CA 0.423 62.717 62.300 -0.010 0.000 1.103 105 V CB 0.322 32.160 31.823 0.025 0.000 0.800 105 V HN 0.110 8.300 8.190 0.000 0.000 0.476 106 C N 1.829 121.062 119.300 -0.111 0.000 2.347 106 C HA 0.267 4.729 4.460 0.003 0.000 0.353 106 C C 1.534 176.456 174.990 -0.113 0.000 1.273 106 C CA -0.723 58.176 59.018 -0.198 0.000 1.861 106 C CB 0.117 27.665 27.740 -0.319 0.000 2.420 106 C HN 0.584 8.814 8.230 0.000 0.000 0.542 107 D N 1.210 121.552 120.400 -0.098 0.000 2.097 107 D HA -0.065 4.577 4.640 0.003 0.000 0.195 107 D C 0.312 176.587 176.300 -0.042 0.000 0.989 107 D CA 1.344 55.311 54.000 -0.055 0.000 0.827 107 D CB 0.081 40.851 40.800 -0.050 0.000 0.966 107 D HN 0.397 8.767 8.370 0.000 0.000 0.456 108 V N 1.590 121.475 119.914 -0.047 0.000 2.495 108 V HA 0.358 4.480 4.120 0.003 0.000 0.298 108 V C -0.116 175.954 176.094 -0.041 0.000 1.031 108 V CA -1.003 61.287 62.300 -0.017 0.000 0.871 108 V CB 1.683 33.540 31.823 0.055 0.000 0.988 108 V HN 0.074 8.264 8.190 0.000 0.000 0.432 109 I N 1.837 122.385 120.570 -0.038 0.000 2.412 109 I HA 0.738 4.910 4.170 0.003 0.000 0.296 109 I C -0.441 175.645 176.117 -0.051 0.000 0.987 109 I CA -0.563 60.716 61.300 -0.035 0.000 1.180 109 I CB 1.556 39.545 38.000 -0.017 0.000 1.340 109 I HN 0.718 8.928 8.210 0.000 0.000 0.455 110 Q N 4.956 124.722 119.800 -0.057 0.000 2.316 110 Q HA 0.467 4.809 4.340 0.003 0.000 0.264 110 Q C -1.613 174.307 176.000 -0.134 0.000 0.987 110 Q CA -0.973 54.776 55.803 -0.091 0.000 0.852 110 Q CB 2.269 30.972 28.738 -0.058 0.000 1.287 110 Q HN 0.816 9.086 8.270 0.000 0.000 0.448 111 L N 7.113 128.249 121.223 -0.144 0.000 2.261 111 L HA 0.477 4.818 4.340 0.003 0.000 0.289 111 L C -2.454 174.281 176.870 -0.225 0.000 1.059 111 L CA -1.825 52.920 54.840 -0.158 0.000 0.816 111 L CB 0.784 42.812 42.059 -0.052 0.000 1.191 111 L HN 0.565 8.795 8.230 0.000 0.000 0.431 112 P HA 0.068 4.488 4.420 0.000 0.000 0.267 112 P C 0.141 177.282 177.300 -0.265 0.000 1.200 112 P CA 0.145 63.064 63.100 -0.301 0.000 0.772 112 P CB 0.761 32.196 31.700 -0.441 0.000 0.855 113 A N 3.521 126.276 122.820 -0.108 0.000 1.883 113 A HA -0.218 4.104 4.320 0.003 0.000 0.217 113 A C 1.787 179.354 177.584 -0.028 0.000 1.186 113 A CA 1.967 53.950 52.037 -0.090 0.000 0.624 113 A CB -1.798 17.163 19.000 -0.066 0.000 0.822 113 A HN 0.723 8.873 8.150 0.000 0.000 0.444 114 F N -1.122 118.818 119.950 -0.015 0.000 2.502 114 F HA 0.179 4.707 4.527 0.002 0.000 0.298 114 F C 1.227 177.079 175.800 0.088 0.000 1.111 114 F CA 0.672 58.726 58.000 0.090 0.000 1.445 114 F CB -0.270 38.786 39.000 0.094 0.000 1.081 114 F HN 0.056 8.356 8.300 0.000 0.000 0.558 115 L N 0.554 121.383 121.223 -0.656 0.000 2.640 115 L HA 0.374 4.716 4.340 0.003 0.000 0.230 115 L C 2.420 179.163 176.870 -0.212 0.000 1.123 115 L CA 0.307 54.865 54.840 -0.470 0.000 0.900 115 L CB -0.435 41.227 42.059 -0.663 0.000 1.146 115 L HN 0.283 8.513 8.230 0.000 0.000 0.484 116 A N 1.369 124.106 122.820 -0.139 0.000 2.070 116 A HA -0.187 4.135 4.320 0.003 0.000 0.220 116 A C 2.375 179.944 177.584 -0.025 0.000 1.159 116 A CA 1.426 53.422 52.037 -0.069 0.000 0.656 116 A CB -0.415 18.540 19.000 -0.075 0.000 0.800 116 A HN 0.555 8.705 8.150 0.000 0.000 0.453 117 R N -1.175 119.326 120.500 0.001 0.000 2.280 117 R HA 0.073 4.415 4.340 0.003 0.000 0.195 117 R C -0.313 175.974 176.300 -0.022 0.000 0.935 117 R CA 0.007 56.116 56.100 0.015 0.000 1.033 117 R CB -0.064 30.282 30.300 0.076 0.000 0.964 117 R HN 0.269 8.539 8.270 0.000 0.000 0.489 118 Q N 2.347 122.118 119.800 -0.048 0.000 2.337 118 Q HA 0.034 4.376 4.340 0.003 0.000 0.255 118 Q C 0.198 176.150 176.000 -0.081 0.000 1.205 118 Q CA 0.476 56.244 55.803 -0.057 0.000 0.902 118 Q CB 1.348 30.042 28.738 -0.072 0.000 1.433 118 Q HN 0.194 8.464 8.270 0.000 0.000 0.471 119 T N 1.279 115.789 114.554 -0.074 0.000 2.867 119 T HA -0.117 4.234 4.350 0.003 0.000 0.268 119 T C 0.895 175.526 174.700 -0.115 0.000 1.057 119 T CA 1.101 63.138 62.100 -0.105 0.000 1.136 119 T CB 0.188 69.010 68.868 -0.077 0.000 0.874 119 T HN 0.451 8.691 8.240 0.000 0.000 0.466 120 D N 0.946 121.301 120.400 -0.075 0.000 2.144 120 D HA -0.017 4.625 4.640 0.003 0.000 0.200 120 D C 2.056 178.316 176.300 -0.066 0.000 0.978 120 D CA 0.548 54.512 54.000 -0.060 0.000 0.833 120 D CB -0.319 40.464 40.800 -0.028 0.000 0.961 120 D HN 0.193 8.563 8.370 0.000 0.000 0.470 121 L N 0.936 122.117 121.223 -0.069 0.000 2.027 121 L HA -0.126 4.216 4.340 0.003 0.000 0.206 121 L C 2.338 179.147 176.870 -0.101 0.000 1.074 121 L CA 1.211 56.010 54.840 -0.067 0.000 0.745 121 L CB -0.617 41.398 42.059 -0.074 0.000 0.898 121 L HN -0.159 8.071 8.230 0.000 0.000 0.433 122 V N -0.997 118.807 119.914 -0.183 0.000 2.250 122 V HA -0.359 3.763 4.120 0.003 0.000 0.250 122 V C 2.513 178.341 176.094 -0.442 0.000 1.060 122 V CA 1.982 64.025 62.300 -0.428 0.000 1.030 122 V CB -0.661 30.827 31.823 -0.559 0.000 0.643 122 V HN 0.356 8.546 8.190 0.000 0.000 0.445 123 V N -0.140 119.612 119.914 -0.271 0.000 2.307 123 V HA -0.225 3.897 4.120 0.003 0.000 0.245 123 V C 2.681 178.721 176.094 -0.089 0.000 1.045 123 V CA 1.922 64.114 62.300 -0.180 0.000 1.024 123 V CB -1.132 30.618 31.823 -0.121 0.000 0.651 123 V HN 0.572 8.762 8.190 0.000 0.000 0.449 124 A N -0.439 122.345 122.820 -0.059 0.000 1.892 124 A HA -0.294 4.028 4.320 0.003 0.000 0.218 124 A C 2.252 179.842 177.584 0.010 0.000 1.188 124 A CA 2.517 54.544 52.037 -0.016 0.000 0.631 124 A CB -0.524 18.471 19.000 -0.008 0.000 0.822 124 A HN 0.508 8.658 8.150 0.000 0.000 0.447 125 M N -0.794 118.823 119.600 0.027 0.000 2.086 125 M HA -0.141 4.340 4.480 0.003 0.000 0.261 125 M C 2.585 178.978 176.300 0.155 0.000 1.067 125 M CA 1.455 56.819 55.300 0.106 0.000 1.116 125 M CB -0.479 32.244 32.600 0.206 0.000 1.348 125 M HN 0.487 8.777 8.290 0.000 0.000 0.407 126 A N 0.579 123.501 122.820 0.169 0.000 1.908 126 A HA -0.186 4.136 4.320 0.003 0.000 0.218 126 A C 2.093 179.734 177.584 0.094 0.000 1.181 126 A CA 1.724 53.876 52.037 0.192 0.000 0.627 126 A CB -0.603 18.459 19.000 0.104 0.000 0.818 126 A HN 0.434 8.584 8.150 0.000 0.000 0.445 127 K N -0.532 119.895 120.400 0.046 0.000 2.152 127 K HA -0.140 4.181 4.320 0.003 0.000 0.206 127 K C 2.144 178.764 176.600 0.034 0.000 1.048 127 K CA 1.712 58.018 56.287 0.031 0.000 0.933 127 K CB -0.436 32.073 32.500 0.015 0.000 0.721 127 K HN 0.775 9.025 8.250 0.000 0.000 0.447 128 T N -2.307 112.270 114.554 0.038 0.000 2.929 128 T HA -0.058 4.294 4.350 0.003 0.000 0.271 128 T C 1.619 176.337 174.700 0.030 0.000 1.085 128 T CA 1.198 63.316 62.100 0.029 0.000 1.125 128 T CB -0.378 68.505 68.868 0.025 0.000 0.874 128 T HN 0.403 8.643 8.240 0.000 0.000 0.494 129 G N 1.247 110.072 108.800 0.042 0.000 2.189 129 G HA2 -0.302 3.660 3.960 0.003 0.000 0.267 129 G HA3 -0.302 3.660 3.960 0.003 0.000 0.267 129 G C 0.078 174.994 174.900 0.027 0.000 0.975 129 G CA 0.243 45.366 45.100 0.039 0.000 0.644 129 G HN 0.698 8.988 8.290 0.000 0.000 0.537 130 N N -0.492 118.220 118.700 0.021 0.000 2.354 130 N HA 0.429 5.170 4.740 0.003 0.000 0.246 130 N C 0.740 176.245 175.510 -0.009 0.000 1.285 130 N CA -0.122 52.930 53.050 0.004 0.000 0.925 130 N CB 0.677 39.161 38.487 -0.004 0.000 1.174 130 N HN 0.152 8.532 8.380 0.000 0.000 0.478 131 V N 1.025 120.930 119.914 -0.016 0.000 2.655 131 V HA 0.088 4.209 4.120 0.003 0.000 0.300 131 V C 0.095 176.152 176.094 -0.062 0.000 1.044 131 V CA -0.039 62.242 62.300 -0.031 0.000 1.095 131 V CB 0.524 32.345 31.823 -0.005 0.000 0.952 131 V HN 0.249 8.439 8.190 0.000 0.000 0.485 132 V N 4.209 124.044 119.914 -0.131 0.000 2.487 132 V HA 0.368 4.490 4.120 0.003 0.000 0.298 132 V C -0.082 175.876 176.094 -0.227 0.000 1.028 132 V CA -0.842 61.334 62.300 -0.207 0.000 0.860 132 V CB 1.921 33.498 31.823 -0.409 0.000 0.991 132 V HN 0.901 9.091 8.190 0.000 0.000 0.427 133 N N 4.341 122.935 118.700 -0.178 0.000 2.439 133 N HA 0.433 5.175 4.740 0.003 0.000 0.249 133 N C -0.763 174.611 175.510 -0.226 0.000 1.003 133 N CA -0.243 52.691 53.050 -0.193 0.000 0.942 133 N CB 0.675 39.070 38.487 -0.153 0.000 1.115 133 N HN 0.622 9.002 8.380 0.000 0.000 0.505 134 I N 3.545 123.963 120.570 -0.252 0.000 2.301 134 I HA 0.167 4.338 4.170 0.003 0.000 0.292 134 I C 0.359 176.360 176.117 -0.192 0.000 1.046 134 I CA -0.717 60.452 61.300 -0.219 0.000 1.282 134 I CB 0.620 38.483 38.000 -0.229 0.000 1.409 134 I HN 0.157 8.367 8.210 0.000 0.000 0.484 135 K N 6.514 126.798 120.400 -0.194 0.000 2.349 135 K HA 0.157 4.479 4.320 0.003 0.000 0.288 135 K C -0.077 176.416 176.600 -0.178 0.000 1.058 135 K CA -0.354 55.810 56.287 -0.204 0.000 0.953 135 K CB 0.962 33.331 32.500 -0.218 0.000 0.997 135 K HN 0.451 8.701 8.250 0.000 0.000 0.477 136 K N 4.859 125.156 120.400 -0.173 0.000 2.383 136 K HA 0.116 4.438 4.320 0.003 0.000 0.286 136 K C -2.299 174.157 176.600 -0.240 0.000 1.051 136 K CA -1.400 54.775 56.287 -0.186 0.000 0.974 136 K CB 0.415 32.812 32.500 -0.171 0.000 0.968 136 K HN 0.158 8.408 8.250 0.000 0.000 0.475 137 P HA -0.070 4.350 4.420 0.000 0.000 0.269 137 P C -0.363 176.612 177.300 -0.543 0.000 1.209 137 P CA -0.016 62.726 63.100 -0.597 0.000 0.776 137 P CB 0.703 31.715 31.700 -1.147 0.000 0.876 138 Q N 1.828 121.386 119.800 -0.403 0.000 2.436 138 Q HA -0.101 4.241 4.340 0.003 0.000 0.209 138 Q C 0.869 176.828 176.000 -0.067 0.000 0.965 138 Q CA 1.365 57.077 55.803 -0.151 0.000 0.910 138 Q CB -0.707 28.029 28.738 -0.002 0.000 0.980 138 Q HN 0.538 8.808 8.270 0.000 0.000 0.491 139 F N -0.824 119.139 119.950 0.021 0.000 2.698 139 F HA 0.317 4.846 4.527 0.003 0.000 0.295 139 F C 0.515 176.317 175.800 0.003 0.000 1.124 139 F CA -0.853 57.158 58.000 0.017 0.000 1.426 139 F CB -0.039 38.975 39.000 0.023 0.000 1.120 139 F HN -0.060 8.240 8.300 0.000 0.000 0.583 140 L N 2.043 123.153 121.223 -0.188 0.000 2.305 140 L HA 0.363 4.705 4.340 0.003 0.000 0.281 140 L C 0.644 177.473 176.870 -0.068 0.000 1.085 140 L CA -0.750 54.040 54.840 -0.083 0.000 0.813 140 L CB 0.971 42.916 42.059 -0.190 0.000 1.157 140 L HN 0.276 8.506 8.230 0.000 0.000 0.436 141 S N 5.787 121.472 115.700 -0.025 0.000 2.572 141 S HA 0.287 4.759 4.470 0.003 0.000 0.279 141 S C -1.605 172.954 174.600 -0.069 0.000 1.341 141 S CA -0.691 57.484 58.200 -0.042 0.000 1.043 141 S CB 0.612 63.801 63.200 -0.018 0.000 0.887 141 S HN 0.643 8.953 8.310 0.000 0.000 0.516 142 P HA -0.138 4.282 4.420 0.000 0.000 0.216 142 P C 1.629 178.889 177.300 -0.067 0.000 1.150 142 P CA 1.733 64.772 63.100 -0.103 0.000 0.837 142 P CB -0.452 31.170 31.700 -0.130 0.000 0.786 143 S N -0.702 114.970 115.700 -0.047 0.000 2.442 143 S HA -0.139 4.333 4.470 0.003 0.000 0.236 143 S C 1.877 176.465 174.600 -0.019 0.000 1.007 143 S CA 0.772 58.956 58.200 -0.027 0.000 0.965 143 S CB -0.947 62.242 63.200 -0.018 0.000 0.773 143 S HN 0.125 8.435 8.310 0.000 0.000 0.504 144 Q N 0.006 119.792 119.800 -0.023 0.000 2.425 144 Q HA 0.258 4.599 4.340 0.003 0.000 0.204 144 Q C 1.655 177.644 176.000 -0.018 0.000 0.933 144 Q CA 0.198 55.994 55.803 -0.011 0.000 0.939 144 Q CB -0.272 28.466 28.738 -0.001 0.000 1.044 144 Q HN 0.511 8.781 8.270 0.000 0.000 0.513 145 M N 0.917 120.496 119.600 -0.035 0.000 2.202 145 M HA -0.191 4.291 4.480 0.003 0.000 0.262 145 M C 1.982 178.272 176.300 -0.017 0.000 1.063 145 M CA 1.482 56.759 55.300 -0.039 0.000 1.097 145 M CB -0.770 31.795 32.600 -0.058 0.000 1.382 145 M HN 0.231 8.521 8.290 0.000 0.000 0.413 146 K N -0.261 120.135 120.400 -0.007 0.000 2.152 146 K HA -0.167 4.155 4.320 0.003 0.000 0.206 146 K C 1.363 177.976 176.600 0.021 0.000 1.048 146 K CA 1.602 57.896 56.287 0.011 0.000 0.933 146 K CB -0.450 32.060 32.500 0.018 0.000 0.721 146 K HN 0.267 8.517 8.250 0.000 0.000 0.447 147 N N 1.259 119.968 118.700 0.015 0.000 2.188 147 N HA -0.075 4.666 4.740 0.003 0.000 0.184 147 N C 1.890 177.413 175.510 0.021 0.000 1.018 147 N CA 1.351 54.412 53.050 0.018 0.000 0.858 147 N CB -0.201 38.295 38.487 0.014 0.000 0.989 147 N HN 0.332 8.712 8.380 0.000 0.000 0.426 148 I N 0.294 120.881 120.570 0.029 0.000 2.286 148 I HA -0.140 4.032 4.170 0.003 0.000 0.245 148 I C 2.039 178.241 176.117 0.141 0.000 1.104 148 I CA 0.534 61.877 61.300 0.071 0.000 1.397 148 I CB -0.244 37.804 38.000 0.080 0.000 1.072 148 I HN -0.127 8.083 8.210 0.000 0.000 0.417 149 V N 0.864 120.809 119.914 0.051 0.000 2.332 149 V HA -0.272 3.850 4.120 0.003 0.000 0.248 149 V C 2.641 178.688 176.094 -0.079 0.000 1.055 149 V CA 1.920 64.185 62.300 -0.058 0.000 1.038 149 V CB -0.668 31.092 31.823 -0.104 0.000 0.651 149 V HN 0.468 8.658 8.190 0.000 0.000 0.450 150 E N 0.773 120.993 120.200 0.033 0.000 2.085 150 E HA -0.251 4.100 4.350 0.003 0.000 0.194 150 E C 2.239 178.878 176.600 0.064 0.000 0.994 150 E CA 1.645 58.099 56.400 0.092 0.000 0.801 150 E CB -0.107 29.636 29.700 0.071 0.000 0.743 150 E HN 0.612 8.972 8.360 0.000 0.000 0.453 151 K N -0.728 119.676 120.400 0.006 0.000 2.057 151 K HA -0.117 4.205 4.320 0.003 0.000 0.207 151 K C 2.296 178.821 176.600 -0.125 0.000 1.049 151 K CA 1.429 57.666 56.287 -0.083 0.000 0.931 151 K CB -0.324 32.073 32.500 -0.171 0.000 0.714 151 K HN 0.099 8.349 8.250 0.000 0.000 0.440 152 F N 0.648 120.547 119.950 -0.084 0.000 2.134 152 F HA -0.183 4.345 4.527 0.003 0.000 0.299 152 F C 2.251 178.036 175.800 -0.025 0.000 1.097 152 F CA 1.514 59.458 58.000 -0.092 0.000 1.264 152 F CB -0.389 38.512 39.000 -0.166 0.000 1.001 152 F HN 0.196 8.496 8.300 0.000 0.000 0.479 153 H N -1.340 117.827 119.070 0.161 0.000 2.321 153 H HA -0.193 4.365 4.556 0.003 0.000 0.300 153 H C 2.114 177.469 175.328 0.045 0.000 1.087 153 H CA 1.237 57.336 56.048 0.086 0.000 1.319 153 H CB -0.074 29.726 29.762 0.063 0.000 1.379 153 H HN 0.144 8.424 8.280 0.000 0.000 0.501 154 E N 1.230 121.518 120.200 0.146 0.000 2.110 154 E HA -0.128 4.223 4.350 0.003 0.000 0.193 154 E C 1.953 178.574 176.600 0.036 0.000 0.988 154 E CA 1.151 57.589 56.400 0.064 0.000 0.804 154 E CB -0.121 29.596 29.700 0.028 0.000 0.745 154 E HN 0.443 8.803 8.360 0.000 0.000 0.458 155 A N -0.683 122.149 122.820 0.020 0.000 2.238 155 A HA 0.382 4.703 4.320 0.003 0.000 0.208 155 A C 1.659 179.270 177.584 0.046 0.000 1.177 155 A CA 0.772 52.808 52.037 -0.001 0.000 0.804 155 A CB -0.525 18.431 19.000 -0.074 0.000 0.823 155 A HN 0.578 8.728 8.150 0.000 0.000 0.482 156 G N -0.972 107.881 108.800 0.088 0.000 2.134 156 G HA2 -0.196 3.766 3.960 0.003 0.000 0.209 156 G HA3 -0.196 3.766 3.960 0.003 0.000 0.209 156 G C -0.270 174.701 174.900 0.120 0.000 0.993 156 G CA 0.113 45.267 45.100 0.091 0.000 0.669 156 G HN 0.565 8.855 8.290 0.000 0.000 0.519 157 N N 0.109 118.915 118.700 0.176 0.000 2.448 157 N HA 0.580 5.322 4.740 0.003 0.000 0.279 157 N C 0.866 176.499 175.510 0.205 0.000 1.025 157 N CA 0.311 53.464 53.050 0.172 0.000 0.898 157 N CB 1.308 39.908 38.487 0.188 0.000 1.303 157 N HN 0.350 8.730 8.380 0.000 0.000 0.495 158 G N 2.085 111.002 108.800 0.196 0.000 3.453 158 G HA2 0.064 4.026 3.960 0.003 0.000 0.263 158 G HA3 0.064 4.026 3.960 0.003 0.000 0.263 158 G C 0.136 175.093 174.900 0.095 0.000 1.060 158 G CA -0.177 45.072 45.100 0.249 0.000 0.793 158 G HN 0.406 8.696 8.290 0.000 0.000 0.532 159 K N 1.538 121.955 120.400 0.028 0.000 2.307 159 K HA 0.367 4.689 4.320 0.003 0.000 0.240 159 K C -0.673 175.876 176.600 -0.086 0.000 1.214 159 K CA 0.046 56.326 56.287 -0.011 0.000 1.149 159 K CB 0.174 32.673 32.500 -0.001 0.000 1.668 159 K HN 0.202 8.452 8.250 0.000 0.000 0.314 160 L N 2.949 124.105 121.223 -0.111 0.000 2.341 160 L HA 0.569 4.911 4.340 0.003 0.000 0.278 160 L C -0.261 176.524 176.870 -0.142 0.000 1.005 160 L CA -0.999 53.710 54.840 -0.218 0.000 0.818 160 L CB 1.568 43.440 42.059 -0.311 0.000 1.259 160 L HN 0.212 8.442 8.230 0.000 0.000 0.418 161 I N 3.604 124.077 120.570 -0.161 0.000 2.441 161 I HA 0.427 4.599 4.170 0.003 0.000 0.295 161 I C -0.544 175.482 176.117 -0.152 0.000 0.994 161 I CA -0.563 60.667 61.300 -0.116 0.000 1.144 161 I CB 1.981 39.918 38.000 -0.105 0.000 1.314 161 I HN 0.362 8.572 8.210 0.000 0.000 0.445 162 L N 5.598 126.759 121.223 -0.104 0.000 2.296 162 L HA 0.487 4.828 4.340 0.003 0.000 0.286 162 L C -0.660 176.163 176.870 -0.079 0.000 1.023 162 L CA -0.495 54.285 54.840 -0.101 0.000 0.812 162 L CB 1.680 43.700 42.059 -0.065 0.000 1.223 162 L HN 0.626 8.856 8.230 0.000 0.000 0.421 163 C N 3.345 122.577 119.300 -0.115 0.000 2.322 163 C HA 0.433 4.894 4.460 0.003 0.000 0.324 163 C C 0.150 175.097 174.990 -0.071 0.000 1.249 163 C CA -0.578 58.375 59.018 -0.109 0.000 1.453 163 C CB 0.866 28.457 27.740 -0.247 0.000 2.145 163 C HN 0.854 9.084 8.230 0.000 0.000 0.466 164 E N 3.489 123.721 120.200 0.055 0.000 2.338 164 E HA 0.437 4.789 4.350 0.003 0.000 0.272 164 E C 0.558 177.246 176.600 0.146 0.000 1.029 164 E CA 0.200 56.630 56.400 0.049 0.000 0.872 164 E CB 0.527 30.264 29.700 0.061 0.000 1.015 164 E HN 0.731 9.091 8.360 0.000 0.000 0.417 165 R N 2.688 123.220 120.500 0.054 0.000 2.592 165 R HA 0.470 4.812 4.340 0.003 0.000 0.439 165 R C 0.147 176.498 176.300 0.086 0.000 0.995 165 R CA -0.135 56.014 56.100 0.082 0.000 1.141 165 R CB 0.018 30.309 30.300 -0.015 0.000 1.495 165 R HN 0.675 8.945 8.270 0.000 0.000 0.579 166 G N -0.114 108.725 108.800 0.065 0.000 2.662 166 G HA2 -0.020 3.941 3.960 0.003 0.000 0.686 166 G HA3 -0.020 3.941 3.960 0.003 0.000 0.686 166 G C -0.906 173.983 174.900 -0.018 0.000 1.271 166 G CA -0.441 44.680 45.100 0.035 0.000 0.816 166 G HN 0.225 8.515 8.290 0.000 0.000 0.608 167 S N -0.307 115.386 115.700 -0.012 0.000 2.536 167 S HA 0.757 5.228 4.470 0.003 0.000 0.298 167 S C 0.386 175.036 174.600 0.083 0.000 1.083 167 S CA -0.283 57.920 58.200 0.005 0.000 0.995 167 S CB 1.856 65.042 63.200 -0.023 0.000 1.058 167 S HN 1.175 9.485 8.310 0.000 0.000 0.488 168 S N 1.961 117.729 115.700 0.114 0.000 2.546 168 S HA 0.244 4.716 4.470 0.003 0.000 0.290 168 S C -0.773 173.963 174.600 0.227 0.000 1.290 168 S CA 0.146 58.441 58.200 0.160 0.000 1.069 168 S CB -0.292 63.002 63.200 0.157 0.000 0.846 168 S HN 0.533 8.843 8.310 0.000 0.000 0.495 169 F N 3.510 123.473 119.950 0.023 0.000 2.810 169 F HA 0.522 5.051 4.527 0.003 0.000 0.373 169 F C 0.606 176.397 175.800 -0.015 0.000 1.174 169 F CA 0.398 58.398 58.000 0.000 0.000 1.141 169 F CB -0.039 38.966 39.000 0.009 0.000 1.420 169 F HN 0.873 9.173 8.300 0.000 0.000 0.518 170 G N 3.009 111.626 108.800 -0.304 0.000 2.575 170 G HA2 -0.315 3.647 3.960 0.003 0.000 0.267 170 G HA3 -0.315 3.647 3.960 0.003 0.000 0.267 170 G C -1.122 173.678 174.900 -0.165 0.000 1.264 170 G CA -0.166 44.717 45.100 -0.361 0.000 0.935 170 G HN 0.533 8.823 8.290 0.000 0.000 0.568 171 Y N 1.951 122.221 120.300 -0.051 0.000 2.304 171 Y HA 0.427 4.978 4.550 0.003 0.000 0.328 171 Y C 1.203 177.110 175.900 0.012 0.000 1.123 171 Y CA -0.093 58.000 58.100 -0.012 0.000 1.218 171 Y CB 0.913 39.363 38.460 -0.018 0.000 1.207 171 Y HN 0.617 8.897 8.280 0.000 0.000 0.495 172 D N 0.924 121.450 120.400 0.210 0.000 2.837 172 D HA -0.255 4.387 4.640 0.003 0.000 0.230 172 D C -0.716 175.660 176.300 0.126 0.000 1.152 172 D CA 0.847 54.925 54.000 0.131 0.000 0.736 172 D CB -0.997 39.861 40.800 0.097 0.000 1.084 172 D HN 0.508 8.878 8.370 0.000 0.000 0.429 173 N N -0.465 118.322 118.700 0.146 0.000 2.396 173 N HA 0.651 5.392 4.740 0.003 0.000 0.275 173 N C -1.320 174.310 175.510 0.200 0.000 1.218 173 N CA -0.489 52.663 53.050 0.171 0.000 0.812 173 N CB 1.592 40.202 38.487 0.205 0.000 1.592 173 N HN -0.001 8.379 8.380 0.000 0.000 0.480 174 L N 0.775 122.106 121.223 0.179 0.000 2.370 174 L HA 0.719 5.061 4.340 0.003 0.000 0.266 174 L C -0.654 176.259 176.870 0.072 0.000 1.002 174 L CA -1.156 53.769 54.840 0.141 0.000 0.818 174 L CB 2.226 44.347 42.059 0.103 0.000 1.325 174 L HN 0.238 8.468 8.230 0.000 0.000 0.418 175 V N 2.700 122.600 119.914 -0.023 0.000 2.735 175 V HA 0.547 4.669 4.120 0.003 0.000 0.310 175 V C -0.765 175.268 176.094 -0.103 0.000 1.061 175 V CA -0.509 61.680 62.300 -0.186 0.000 0.913 175 V CB 2.557 34.033 31.823 -0.578 0.000 1.005 175 V HN 0.409 8.599 8.190 0.000 0.000 0.428 176 V N 5.116 124.988 119.914 -0.070 0.000 2.364 176 V HA 0.349 4.471 4.120 0.003 0.000 0.272 176 V C -0.127 175.875 176.094 -0.154 0.000 1.036 176 V CA -0.520 61.732 62.300 -0.081 0.000 0.880 176 V CB 1.390 33.240 31.823 0.044 0.000 0.991 176 V HN 0.923 9.113 8.190 0.000 0.000 0.460 177 D N 5.483 125.752 120.400 -0.219 0.000 2.352 177 D HA 0.158 4.799 4.640 0.003 0.000 0.245 177 D C 1.065 177.205 176.300 -0.266 0.000 1.224 177 D CA -0.311 53.564 54.000 -0.209 0.000 0.879 177 D CB 1.090 41.776 40.800 -0.189 0.000 1.057 177 D HN 0.327 8.697 8.370 0.000 0.000 0.491 178 M N 3.359 122.885 119.600 -0.124 0.000 2.446 178 M HA -0.106 4.376 4.480 0.003 0.000 0.263 178 M C 1.598 177.916 176.300 0.029 0.000 1.066 178 M CA 0.785 56.096 55.300 0.018 0.000 1.087 178 M CB -0.381 32.252 32.600 0.055 0.000 1.406 178 M HN 0.517 8.807 8.290 0.000 0.000 0.459 179 L N -1.142 120.044 121.223 -0.062 0.000 2.313 179 L HA -0.005 4.337 4.340 0.003 0.000 0.214 179 L C 2.548 179.361 176.870 -0.095 0.000 1.119 179 L CA 0.614 55.426 54.840 -0.048 0.000 0.809 179 L CB -1.066 40.964 42.059 -0.049 0.000 0.933 179 L HN 0.327 8.557 8.230 0.000 0.000 0.449 180 G N 0.152 108.814 108.800 -0.230 0.000 2.432 180 G HA2 -0.254 3.708 3.960 0.003 0.000 0.219 180 G HA3 -0.254 3.708 3.960 0.003 0.000 0.219 180 G C 1.394 176.134 174.900 -0.267 0.000 1.135 180 G CA 0.474 45.397 45.100 -0.296 0.000 0.767 180 G HN 0.240 8.530 8.290 0.000 0.000 0.550 181 F N 1.319 121.196 119.950 -0.121 0.000 2.095 181 F HA -0.028 4.500 4.527 0.003 0.000 0.298 181 F C 2.951 178.708 175.800 -0.073 0.000 1.104 181 F CA 1.013 58.947 58.000 -0.112 0.000 1.232 181 F CB -0.506 38.410 39.000 -0.140 0.000 0.987 181 F HN 0.196 8.496 8.300 0.000 0.000 0.475 182 G N -0.215 108.654 108.800 0.114 0.000 2.408 182 G HA2 -0.161 3.801 3.960 0.003 0.000 0.217 182 G HA3 -0.161 3.801 3.960 0.003 0.000 0.217 182 G C 1.728 176.639 174.900 0.019 0.000 1.150 182 G CA 0.986 46.118 45.100 0.055 0.000 0.776 182 G HN 0.234 8.524 8.290 0.000 0.000 0.542 183 V N 1.111 121.020 119.914 -0.008 0.000 2.295 183 V HA -0.233 3.889 4.120 0.003 0.000 0.246 183 V C 2.900 178.984 176.094 -0.018 0.000 1.049 183 V CA 2.105 64.392 62.300 -0.022 0.000 1.024 183 V CB -0.420 31.376 31.823 -0.045 0.000 0.648 183 V HN 0.373 8.563 8.190 0.000 0.000 0.447 184 M N -0.781 118.805 119.600 -0.025 0.000 2.117 184 M HA -0.205 4.277 4.480 0.003 0.000 0.262 184 M C 2.284 178.589 176.300 0.008 0.000 1.065 184 M CA 1.851 57.141 55.300 -0.017 0.000 1.114 184 M CB -0.452 32.131 32.600 -0.028 0.000 1.361 184 M HN 0.256 8.546 8.290 0.000 0.000 0.408 185 K N 0.079 120.494 120.400 0.025 0.000 2.057 185 K HA -0.181 4.141 4.320 0.003 0.000 0.206 185 K C 2.482 179.095 176.600 0.021 0.000 1.050 185 K CA 1.838 58.142 56.287 0.029 0.000 0.935 185 K CB -0.425 32.097 32.500 0.036 0.000 0.715 185 K HN 0.457 8.707 8.250 0.000 0.000 0.439 186 Q N 0.709 120.519 119.800 0.016 0.000 2.172 186 Q HA -0.104 4.238 4.340 0.003 0.000 0.200 186 Q C 2.000 178.008 176.000 0.013 0.000 0.964 186 Q CA 1.948 57.759 55.803 0.013 0.000 0.855 186 Q CB -0.980 27.763 28.738 0.008 0.000 0.918 186 Q HN 0.619 8.889 8.270 0.000 0.000 0.444 187 T N -4.854 109.706 114.554 0.010 0.000 3.037 187 T HA 0.089 4.441 4.350 0.003 0.000 0.252 187 T C 1.450 176.163 174.700 0.022 0.000 1.073 187 T CA 0.783 62.890 62.100 0.012 0.000 1.091 187 T CB -0.223 68.647 68.868 0.003 0.000 0.935 187 T HN 0.498 8.738 8.240 0.000 0.000 0.488 188 C N 2.054 121.368 119.300 0.023 0.000 2.647 188 C HA 0.745 5.207 4.460 0.003 0.000 0.296 188 C C 1.809 176.831 174.990 0.053 0.000 1.403 188 C CA -0.781 58.259 59.018 0.036 0.000 1.781 188 C CB -1.155 26.592 27.740 0.011 0.000 2.464 188 C HN 0.854 9.084 8.230 0.000 0.000 0.559 189 G N 2.686 111.514 108.800 0.046 0.000 2.221 189 G HA2 -0.338 3.624 3.960 0.003 0.000 0.265 189 G HA3 -0.338 3.624 3.960 0.003 0.000 0.265 189 G C 0.331 175.255 174.900 0.040 0.000 1.041 189 G CA 0.712 45.839 45.100 0.045 0.000 0.807 189 G HN 0.729 9.019 8.290 0.000 0.000 0.502 190 N N -2.028 116.692 118.700 0.032 0.000 2.721 190 N HA -0.186 4.555 4.740 0.003 0.000 0.249 190 N C 0.645 176.174 175.510 0.033 0.000 1.072 190 N CA 1.280 54.349 53.050 0.030 0.000 0.710 190 N CB -1.232 37.271 38.487 0.027 0.000 0.993 190 N HN 0.875 9.255 8.380 0.000 0.000 0.547 191 L N -0.268 120.974 121.223 0.032 0.000 2.499 191 L HA 0.178 4.520 4.340 0.003 0.000 0.281 191 L C -1.362 175.522 176.870 0.024 0.000 1.234 191 L CA -1.329 53.525 54.840 0.024 0.000 0.839 191 L CB -0.007 42.055 42.059 0.005 0.000 1.104 191 L HN 0.113 8.343 8.230 0.000 0.000 0.500 192 P HA -0.003 4.417 4.420 0.000 0.000 0.262 192 P C -0.955 176.365 177.300 0.032 0.000 1.182 192 P CA 0.126 63.251 63.100 0.043 0.000 0.761 192 P CB 0.473 32.208 31.700 0.059 0.000 0.795 193 V N 5.450 125.397 119.914 0.056 0.000 2.417 193 V HA 0.505 4.627 4.120 0.003 0.000 0.291 193 V C 0.542 176.694 176.094 0.096 0.000 1.024 193 V CA -0.528 61.818 62.300 0.076 0.000 0.861 193 V CB 1.203 33.103 31.823 0.128 0.000 0.985 193 V HN 0.426 8.616 8.190 0.000 0.000 0.436 194 I N 0.954 121.579 120.570 0.092 0.000 2.957 194 I HA 0.735 4.907 4.170 0.003 0.000 0.310 194 I C -1.571 174.705 176.117 0.265 0.000 1.063 194 I CA -0.822 60.557 61.300 0.132 0.000 1.033 194 I CB 2.485 40.478 38.000 -0.011 0.000 1.230 194 I HN 0.451 8.661 8.210 0.000 0.000 0.447 195 F N 3.230 123.247 119.950 0.112 0.000 2.496 195 F HA 0.413 4.941 4.527 0.003 0.000 0.341 195 F C -0.624 175.274 175.800 0.163 0.000 1.134 195 F CA -1.448 56.653 58.000 0.168 0.000 0.968 195 F CB 1.023 40.103 39.000 0.133 0.000 1.205 195 F HN 0.554 8.854 8.300 0.000 0.000 0.436 196 D N 5.617 126.112 120.400 0.158 0.000 2.470 196 D HA 0.103 4.745 4.640 0.003 0.000 0.226 196 D C 1.403 177.543 176.300 -0.267 0.000 1.196 196 D CA 0.090 54.060 54.000 -0.050 0.000 0.979 196 D CB 0.632 41.294 40.800 -0.229 0.000 1.059 196 D HN 0.418 8.788 8.370 0.000 0.000 0.515 197 V N 1.831 121.416 119.914 -0.548 0.000 2.427 197 V HA -0.177 3.945 4.120 0.003 0.000 0.248 197 V C 1.943 177.893 176.094 -0.239 0.000 1.051 197 V CA 1.699 63.622 62.300 -0.629 0.000 1.048 197 V CB -1.143 30.377 31.823 -0.505 0.000 0.666 197 V HN 0.369 8.559 8.190 0.000 0.000 0.456 198 T N 0.581 115.031 114.554 -0.174 0.000 2.652 198 T HA -0.229 4.123 4.350 0.003 0.000 0.267 198 T C 1.739 176.285 174.700 -0.256 0.000 1.039 198 T CA 2.740 64.703 62.100 -0.228 0.000 1.153 198 T CB -0.563 68.117 68.868 -0.313 0.000 0.863 198 T HN 0.785 9.025 8.240 0.000 0.000 0.428 199 H N 0.219 119.294 119.070 0.008 0.000 2.512 199 H HA 0.208 4.766 4.556 0.003 0.000 0.279 199 H C 2.509 177.847 175.328 0.017 0.000 0.999 199 H CA 0.760 56.813 56.048 0.008 0.000 1.283 199 H CB 0.059 29.813 29.762 -0.014 0.000 1.421 199 H HN 0.191 8.471 8.280 0.000 0.000 0.554 200 S N 0.406 116.161 115.700 0.091 0.000 2.447 200 S HA -0.036 4.435 4.470 0.003 0.000 0.233 200 S C 0.974 175.628 174.600 0.089 0.000 1.006 200 S CA 0.548 58.817 58.200 0.115 0.000 0.957 200 S CB -0.038 63.276 63.200 0.190 0.000 0.773 200 S HN 0.284 8.594 8.310 0.000 0.000 0.507 201 L N 3.607 124.858 121.223 0.047 0.000 2.391 201 L HA 0.128 4.470 4.340 0.003 0.000 0.249 201 L C 0.890 177.794 176.870 0.056 0.000 1.308 201 L CA -0.630 54.237 54.840 0.045 0.000 1.209 201 L CB -0.478 41.590 42.059 0.014 0.000 1.401 201 L HN 0.314 8.544 8.230 0.000 0.000 0.416 214 R N 0.408 120.927 120.500 0.031 0.000 2.189 214 R HA 0.406 4.748 4.340 0.003 0.000 0.218 214 R C 2.590 178.917 176.300 0.046 0.000 1.074 214 R CA 2.402 58.522 56.100 0.034 0.000 0.991 214 R CB -1.433 28.867 30.300 0.000 0.000 0.883 214 R HN 0.903 9.173 8.270 0.000 0.000 0.457 215 R N 0.228 120.757 120.500 0.048 0.000 2.075 215 R HA 0.306 4.647 4.340 0.003 0.000 0.232 215 R C 2.748 179.122 176.300 0.123 0.000 1.126 215 R CA 1.754 57.901 56.100 0.077 0.000 0.963 215 R CB -1.318 29.020 30.300 0.063 0.000 0.858 215 R HN 0.755 9.025 8.270 0.000 0.000 0.435 216 A N 0.418 123.288 122.820 0.083 0.000 1.968 216 A HA -0.135 4.187 4.320 0.003 0.000 0.217 216 A C 2.277 179.903 177.584 0.070 0.000 1.169 216 A CA 1.335 53.415 52.037 0.070 0.000 0.638 216 A CB -0.228 18.798 19.000 0.043 0.000 0.812 216 A HN 0.667 8.817 8.150 0.000 0.000 0.446 217 Q N -0.628 119.214 119.800 0.070 0.000 2.020 217 Q HA -0.151 4.190 4.340 0.003 0.000 0.202 217 Q C 2.497 178.554 176.000 0.095 0.000 0.982 217 Q CA 1.482 57.326 55.803 0.068 0.000 0.838 217 Q CB -0.358 28.414 28.738 0.057 0.000 0.899 217 Q HN 0.673 8.943 8.270 0.000 0.000 0.423 218 A N 0.848 123.744 122.820 0.127 0.000 1.933 218 A HA -0.190 4.132 4.320 0.003 0.000 0.218 218 A C 2.020 179.787 177.584 0.306 0.000 1.175 218 A CA 1.202 53.352 52.037 0.188 0.000 0.628 218 A CB -0.601 18.493 19.000 0.156 0.000 0.814 218 A HN 0.347 8.497 8.150 0.000 0.000 0.444 219 L N 0.147 121.537 121.223 0.279 0.000 1.994 219 L HA -0.142 4.199 4.340 0.003 0.000 0.208 219 L C 1.694 178.513 176.870 -0.085 0.000 1.071 219 L CA 2.611 57.419 54.840 -0.053 0.000 0.745 219 L CB -0.856 41.150 42.059 -0.089 0.000 0.892 219 L HN 0.319 8.549 8.230 0.000 0.000 0.431 220 D N -0.563 119.834 120.400 -0.005 0.000 2.104 220 D HA -0.213 4.429 4.640 0.003 0.000 0.194 220 D C 2.176 178.501 176.300 0.040 0.000 0.994 220 D CA 1.582 55.583 54.000 0.002 0.000 0.830 220 D CB -0.292 40.520 40.800 0.021 0.000 0.959 220 D HN 0.297 8.667 8.370 0.000 0.000 0.452 221 L N 0.615 121.893 121.223 0.092 0.000 2.056 221 L HA -0.034 4.307 4.340 0.003 0.000 0.207 221 L C 2.116 179.149 176.870 0.272 0.000 1.078 221 L CA 1.707 56.656 54.840 0.181 0.000 0.749 221 L CB -0.852 41.319 42.059 0.187 0.000 0.901 221 L HN -0.010 8.220 8.230 0.000 0.000 0.433 222 A N -0.616 122.295 122.820 0.152 0.000 1.902 222 A HA -0.185 4.137 4.320 0.003 0.000 0.217 222 A C 2.263 179.868 177.584 0.035 0.000 1.181 222 A CA 2.006 54.113 52.037 0.116 0.000 0.623 222 A CB -0.894 18.137 19.000 0.053 0.000 0.818 222 A HN 0.480 8.630 8.150 0.000 0.000 0.443 223 L N -0.790 120.391 121.223 -0.070 0.000 2.017 223 L HA -0.218 4.124 4.340 0.003 0.000 0.208 223 L C 3.141 179.980 176.870 -0.052 0.000 1.073 223 L CA 1.157 55.934 54.840 -0.105 0.000 0.745 223 L CB -0.649 41.334 42.059 -0.126 0.000 0.894 223 L HN 0.443 8.673 8.230 0.000 0.000 0.432 224 A N 0.371 123.194 122.820 0.004 0.000 1.883 224 A HA -0.172 4.150 4.320 0.003 0.000 0.217 224 A C 2.405 179.962 177.584 -0.046 0.000 1.186 224 A CA 1.980 54.017 52.037 0.001 0.000 0.624 224 A CB -1.376 17.649 19.000 0.042 0.000 0.822 224 A HN 0.460 8.610 8.150 0.000 0.000 0.444 225 G N -1.172 107.619 108.800 -0.015 0.000 2.418 225 G HA2 -0.165 3.796 3.960 0.003 0.000 0.217 225 G HA3 -0.165 3.796 3.960 0.003 0.000 0.217 225 G C 1.423 176.070 174.900 -0.422 0.000 1.158 225 G CA 1.245 46.128 45.100 -0.361 0.000 0.771 225 G HN 0.339 8.629 8.290 0.000 0.000 0.545 226 M N 1.307 120.794 119.600 -0.189 0.000 2.374 226 M HA 0.164 4.645 4.480 0.003 0.000 0.264 226 M C 2.859 179.048 176.300 -0.185 0.000 1.067 226 M CA 0.553 55.728 55.300 -0.208 0.000 1.103 226 M CB -1.148 31.323 32.600 -0.216 0.000 1.402 226 M HN 0.307 8.597 8.290 0.000 0.000 0.444 227 A N 0.285 123.012 122.820 -0.155 0.000 2.070 227 A HA -0.127 4.195 4.320 0.003 0.000 0.220 227 A C 2.182 179.697 177.584 -0.115 0.000 1.159 227 A CA 2.056 54.025 52.037 -0.113 0.000 0.656 227 A CB -1.074 17.877 19.000 -0.081 0.000 0.800 227 A HN 0.604 8.754 8.150 0.000 0.000 0.453 228 T N -3.961 110.486 114.554 -0.179 0.000 3.148 228 T HA 0.177 4.529 4.350 0.003 0.000 0.253 228 T C 0.585 175.203 174.700 -0.137 0.000 1.134 228 T CA 0.476 62.483 62.100 -0.154 0.000 1.051 228 T CB -0.375 68.387 68.868 -0.178 0.000 0.959 228 T HN 0.544 8.784 8.240 0.000 0.000 0.525 229 R N 0.124 120.539 120.500 -0.141 0.000 2.318 229 R HA -0.078 4.263 4.340 0.003 0.000 0.352 229 R C -1.488 174.764 176.300 -0.080 0.000 1.046 229 R CA 0.036 56.088 56.100 -0.080 0.000 0.745 229 R CB -1.704 28.573 30.300 -0.039 0.000 2.292 229 R HN 0.562 8.832 8.270 0.000 0.000 0.475 230 L N 1.962 123.140 121.223 -0.076 0.000 2.333 230 L HA 0.647 4.989 4.340 0.003 0.000 0.263 230 L C 1.324 178.236 176.870 0.070 0.000 1.014 230 L CA -0.316 54.498 54.840 -0.044 0.000 0.820 230 L CB 1.774 43.748 42.059 -0.142 0.000 1.352 230 L HN 0.535 8.765 8.230 0.000 0.000 0.421 231 A N 0.819 123.705 122.820 0.109 0.000 2.067 231 A HA 0.477 4.798 4.320 0.003 0.000 0.217 231 A C 0.803 178.561 177.584 0.290 0.000 1.156 231 A CA 1.144 53.285 52.037 0.172 0.000 0.683 231 A CB -0.163 18.926 19.000 0.148 0.000 0.808 231 A HN 0.872 9.022 8.150 0.000 0.000 0.455 232 G N -2.257 106.737 108.800 0.324 0.000 2.451 232 G HA2 0.487 4.449 3.960 0.003 0.000 0.292 232 G HA3 0.487 4.449 3.960 0.003 0.000 0.292 232 G C -1.976 173.185 174.900 0.434 0.000 1.427 232 G CA -0.366 45.037 45.100 0.505 0.000 0.792 232 G HN 0.622 8.912 8.290 0.000 0.000 0.498 233 L N -0.211 121.348 121.223 0.559 0.000 2.381 233 L HA 0.906 5.247 4.340 0.003 0.000 0.268 233 L C -1.666 175.495 176.870 0.484 0.000 0.997 233 L CA -0.989 54.101 54.840 0.416 0.000 0.818 233 L CB 1.985 44.232 42.059 0.313 0.000 1.310 233 L HN 0.586 8.816 8.230 0.000 0.000 0.416 234 F N 6.507 126.554 119.950 0.161 0.000 2.477 234 F HA 0.726 5.254 4.527 0.003 0.000 0.335 234 F C -1.317 174.509 175.800 0.043 0.000 1.130 234 F CA -0.724 57.351 58.000 0.125 0.000 0.948 234 F CB 1.368 40.367 39.000 -0.002 0.000 1.154 234 F HN 0.491 8.791 8.300 0.000 0.000 0.439 235 L N 2.553 123.797 121.223 0.035 0.000 2.491 235 L HA 0.710 5.051 4.340 0.003 0.000 0.254 235 L C -1.752 175.092 176.870 -0.043 0.000 1.048 235 L CA -1.027 53.827 54.840 0.023 0.000 0.855 235 L CB 2.024 44.075 42.059 -0.013 0.000 1.466 235 L HN 0.543 8.773 8.230 0.000 0.000 0.409 236 E N 0.122 120.307 120.200 -0.026 0.000 2.343 236 E HA 0.821 5.173 4.350 0.003 0.000 0.270 236 E C -1.242 175.377 176.600 0.032 0.000 0.895 236 E CA -0.914 55.498 56.400 0.020 0.000 0.767 236 E CB 2.269 31.962 29.700 -0.012 0.000 1.248 236 E HN 0.746 9.106 8.360 0.000 0.000 0.440 255 H N 2.444 121.521 119.070 0.010 0.000 2.652 255 H HA 0.374 4.931 4.556 0.003 0.000 0.233 255 H C 0.729 176.078 175.328 0.034 0.000 1.762 255 H CA -0.197 55.866 56.048 0.025 0.000 1.285 255 H CB 0.828 30.608 29.762 0.031 0.000 1.668 255 H HN 0.180 8.460 8.280 0.000 0.000 0.550 256 L N 0.967 122.241 121.223 0.085 0.000 2.109 256 L HA -0.152 4.190 4.340 0.003 0.000 0.207 256 L C 2.349 179.266 176.870 0.079 0.000 1.086 256 L CA 0.840 55.724 54.840 0.073 0.000 0.760 256 L CB -0.365 41.706 42.059 0.020 0.000 0.910 256 L HN 0.340 8.570 8.230 0.000 0.000 0.437 257 L N 0.166 121.403 121.223 0.025 0.000 1.994 257 L HA -0.216 4.126 4.340 0.003 0.000 0.208 257 L C 2.589 179.481 176.870 0.036 0.000 1.071 257 L CA 2.005 56.811 54.840 -0.057 0.000 0.745 257 L CB -0.751 41.159 42.059 -0.249 0.000 0.892 257 L HN 0.564 8.794 8.230 0.000 0.000 0.431 258 E N -1.726 118.492 120.200 0.030 0.000 2.106 258 E HA -0.234 4.118 4.350 0.003 0.000 0.192 258 E C 1.573 178.224 176.600 0.086 0.000 0.984 258 E CA 1.327 57.749 56.400 0.037 0.000 0.806 258 E CB -0.620 29.081 29.700 0.002 0.000 0.750 258 E HN 0.457 8.817 8.360 0.000 0.000 0.458 259 D N 0.647 121.115 120.400 0.114 0.000 2.104 259 D HA -0.174 4.468 4.640 0.003 0.000 0.194 259 D C 1.665 178.041 176.300 0.126 0.000 0.994 259 D CA 1.014 55.078 54.000 0.107 0.000 0.830 259 D CB -0.541 40.329 40.800 0.116 0.000 0.959 259 D HN 0.196 8.566 8.370 0.000 0.000 0.452 260 F N 1.082 121.036 119.950 0.007 0.000 2.046 260 F HA -0.161 4.367 4.527 0.003 0.000 0.297 260 F C 2.313 178.120 175.800 0.012 0.000 1.123 260 F CA 1.305 59.307 58.000 0.003 0.000 1.199 260 F CB -0.233 38.767 39.000 -0.000 0.000 0.972 260 F HN -0.111 8.189 8.300 0.000 0.000 0.474 261 L N -0.293 121.106 121.223 0.294 0.000 2.093 261 L HA -0.222 4.120 4.340 0.003 0.000 0.208 261 L C 2.401 179.346 176.870 0.125 0.000 1.085 261 L CA 1.023 56.004 54.840 0.234 0.000 0.755 261 L CB -0.616 41.580 42.059 0.230 0.000 0.904 261 L HN 0.217 8.447 8.230 0.000 0.000 0.435 262 I N -0.277 120.338 120.570 0.074 0.000 2.151 262 I HA -0.359 3.813 4.170 0.003 0.000 0.243 262 I C 2.754 178.874 176.117 0.003 0.000 1.080 262 I CA 1.530 62.853 61.300 0.038 0.000 1.339 262 I CB -0.251 37.762 38.000 0.022 0.000 1.039 262 I HN 0.229 8.439 8.210 0.000 0.000 0.409 263 R N 0.089 120.561 120.500 -0.048 0.000 2.073 263 R HA -0.097 4.244 4.340 0.003 0.000 0.229 263 R C 2.251 178.464 176.300 -0.144 0.000 1.120 263 R CA 1.063 57.100 56.100 -0.105 0.000 0.967 263 R CB -0.166 30.038 30.300 -0.159 0.000 0.862 263 R HN 0.245 8.515 8.270 0.000 0.000 0.436 264 I N 1.436 121.887 120.570 -0.198 0.000 2.179 264 I HA -0.254 3.918 4.170 0.003 0.000 0.242 264 I C 2.301 178.319 176.117 -0.166 0.000 1.088 264 I CA 1.472 62.606 61.300 -0.276 0.000 1.357 264 I CB -1.000 36.768 38.000 -0.386 0.000 1.051 264 I HN 0.158 8.368 8.210 0.000 0.000 0.409 265 K N 1.005 121.441 120.400 0.059 0.000 2.057 265 K HA -0.152 4.170 4.320 0.003 0.000 0.207 265 K C 2.218 178.871 176.600 0.089 0.000 1.049 265 K CA 1.548 57.968 56.287 0.221 0.000 0.931 265 K CB -0.006 32.636 32.500 0.236 0.000 0.714 265 K HN 0.250 8.500 8.250 0.000 0.000 0.440 266 A N 1.268 124.104 122.820 0.027 0.000 1.883 266 A HA -0.174 4.147 4.320 0.003 0.000 0.217 266 A C 2.030 179.606 177.584 -0.013 0.000 1.186 266 A CA 1.446 53.486 52.037 0.005 0.000 0.624 266 A CB -0.639 18.353 19.000 -0.012 0.000 0.822 266 A HN 0.385 8.535 8.150 0.000 0.000 0.444 267 L N 0.309 121.503 121.223 -0.048 0.000 2.027 267 L HA -0.124 4.218 4.340 0.003 0.000 0.206 267 L C 1.918 178.758 176.870 -0.050 0.000 1.074 267 L CA 2.819 57.621 54.840 -0.063 0.000 0.745 267 L CB -0.900 41.096 42.059 -0.105 0.000 0.898 267 L HN 0.494 8.724 8.230 0.000 0.000 0.433 268 D N -0.865 119.504 120.400 -0.053 0.000 2.104 268 D HA -0.225 4.417 4.640 0.003 0.000 0.194 268 D C 1.695 178.026 176.300 0.051 0.000 0.994 268 D CA 1.490 55.492 54.000 0.003 0.000 0.830 268 D CB 0.004 40.853 40.800 0.083 0.000 0.959 268 D HN 0.404 8.774 8.370 0.000 0.000 0.452 269 D N -0.260 120.178 120.400 0.064 0.000 2.104 269 D HA -0.161 4.480 4.640 0.003 0.000 0.194 269 D C 2.095 178.410 176.300 0.025 0.000 0.994 269 D CA 0.568 54.599 54.000 0.051 0.000 0.830 269 D CB -0.517 40.312 40.800 0.048 0.000 0.959 269 D HN 0.244 8.614 8.370 0.000 0.000 0.452 270 L N 0.864 122.093 121.223 0.010 0.000 1.970 270 L HA -0.174 4.168 4.340 0.003 0.000 0.212 270 L C 2.119 178.988 176.870 -0.002 0.000 1.071 270 L CA 1.505 56.345 54.840 -0.000 0.000 0.751 270 L CB -0.595 41.458 42.059 -0.010 0.000 0.889 270 L HN -0.031 8.199 8.230 0.000 0.000 0.432 271 I N -0.047 120.518 120.570 -0.008 0.000 2.163 271 I HA -0.272 3.900 4.170 0.003 0.000 0.243 271 I C 2.348 178.465 176.117 -0.000 0.000 1.085 271 I CA 1.424 62.717 61.300 -0.012 0.000 1.347 271 I CB -1.348 36.635 38.000 -0.028 0.000 1.044 271 I HN 0.366 8.576 8.210 0.000 0.000 0.408 272 K N 0.741 121.148 120.400 0.013 0.000 2.365 272 K HA -0.024 4.298 4.320 0.003 0.000 0.199 272 K C 2.018 178.629 176.600 0.017 0.000 1.045 272 K CA 1.155 57.455 56.287 0.022 0.000 0.962 272 K CB -0.285 32.239 32.500 0.041 0.000 0.759 272 K HN 0.459 8.709 8.250 0.000 0.000 0.469 273 S N 0.101 115.809 115.700 0.013 0.000 2.496 273 S HA -0.016 4.456 4.470 0.003 0.000 0.224 273 S C 0.735 175.339 174.600 0.006 0.000 0.996 273 S CA -0.141 58.065 58.200 0.010 0.000 0.927 273 S CB 0.004 63.209 63.200 0.009 0.000 0.774 273 S HN 0.231 8.541 8.310 0.000 0.000 0.524 274 Q N 2.395 122.197 119.800 0.003 0.000 2.261 274 Q HA 0.438 4.780 4.340 0.003 0.000 0.252 274 Q C -2.636 173.365 176.000 0.002 0.000 0.915 274 Q CA -2.256 53.548 55.803 0.001 0.000 0.915 274 Q CB 0.385 29.121 28.738 -0.003 0.000 1.204 274 Q HN 0.249 8.519 8.270 0.000 0.000 0.421 275 P HA 0.023 4.443 4.420 0.000 0.000 0.269 275 P C -0.452 176.849 177.300 0.002 0.000 1.209 275 P CA -0.014 63.087 63.100 0.003 0.000 0.776 275 P CB 0.512 32.213 31.700 0.002 0.000 0.876 276 I N 2.450 123.022 120.570 0.003 0.000 2.668 276 I HA -0.052 4.119 4.170 0.003 0.000 0.285 276 I C 0.912 177.030 176.117 0.002 0.000 1.168 276 I CA 0.189 61.491 61.300 0.003 0.000 1.424 276 I CB 0.000 38.003 38.000 0.005 0.000 1.377 276 I HN 0.281 8.491 8.210 0.000 0.000 0.560 277 L N 0.000 121.223 121.223 0.000 0.000 2.949 277 L HA 0.000 4.342 4.340 0.003 0.000 0.249 277 L CA 0.000 54.840 54.840 0.000 0.000 0.813 277 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 277 L HN 0.000 8.230 8.230 0.000 0.000 0.502