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 1bxo_1_A DATA FIRST_RESID 1 DATA SEQUENCE AASGVATNTP TANDEEYITP VTIGGTTLNL NFDTGSADLW VFSTELPASQ DATA SEQUENCE QSGHSVYNPS ATGKELSGYT WSISYGDGSS ASGNVFTDSV TVGGVTAHGQ DATA SEQUENCE AVQAAQQISA QFQQDTNNDG LLGLAFSSIN TVQPQSQTTF FDTVKSSLAQ DATA SEQUENCE PLFAVALKHQ QPGVYDFGFI DSSKYTGSLT YTGVDNSQGF WSFNVDSYTA DATA SEQUENCE GSQSGDGFSG IADTGTTLLL LDDSVVSQYY SQVSGAQQDS NAGGYVFDcS DATA SEQUENCE TNLPDFSVSI SGYTATVPGS LINYGPSGDG STcLGGIQSN SGIGFSIFGD DATA SEQUENCE IFLKSQYVVF DSDGPQLGFA PQA 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 A HA 0.000 4.350 4.320 0.050 0.000 0.244 1 A C 0.000 177.628 177.584 0.073 0.000 1.274 1 A CA 0.000 52.074 52.037 0.062 0.000 0.836 1 A CB 0.000 19.039 19.000 0.065 0.000 0.831 2 A N -1.079 121.782 122.820 0.069 0.000 2.251 2 A HA 0.411 4.931 4.320 0.087 -0.148 0.209 2 A C -0.961 176.705 177.584 0.136 0.000 1.187 2 A CA -0.131 51.958 52.037 0.086 0.000 0.823 2 A CB 0.880 19.917 19.000 0.063 0.000 0.846 2 A HN 0.299 8.481 8.150 0.053 0.000 0.486 3 S N -5.847 109.939 115.700 0.142 0.000 2.627 3 S HA 0.494 5.292 4.470 0.340 -0.123 0.268 3 S C -1.190 173.544 174.600 0.223 0.000 1.130 3 S CA -0.515 57.826 58.200 0.235 0.000 0.819 3 S CB 2.744 66.039 63.200 0.159 0.000 1.100 3 S HN -0.673 7.658 8.310 0.104 0.041 0.465 4 G N -1.488 107.537 108.800 0.375 0.000 2.523 4 G HA2 0.355 4.440 3.960 0.209 0.000 0.291 4 G HA3 0.355 4.673 3.960 0.286 -0.187 0.291 4 G C -3.132 172.069 174.900 0.503 0.000 1.450 4 G CA 0.369 45.666 45.100 0.328 0.000 0.790 4 G HN 0.141 8.754 8.290 0.539 0.000 0.496 5 V N 0.483 120.621 119.914 0.374 0.000 2.378 5 V HA 0.535 5.073 4.120 0.438 -0.154 0.288 5 V C -1.184 175.075 176.094 0.276 0.000 1.016 5 V CA -2.151 60.368 62.300 0.366 0.000 0.840 5 V CB 1.408 33.414 31.823 0.304 0.000 0.994 5 V HN 0.215 8.568 8.190 0.271 0.000 0.431 6 A N 9.143 132.158 122.820 0.325 0.000 2.276 6 A HA 0.534 4.936 4.320 0.137 0.000 0.316 6 A C -1.676 175.989 177.584 0.136 0.000 1.229 6 A CA -1.477 50.684 52.037 0.207 0.000 0.851 6 A CB 1.834 20.990 19.000 0.260 0.000 1.165 6 A HN 0.664 9.067 8.150 0.422 0.000 0.513 7 T N 6.802 121.389 114.554 0.055 0.000 2.771 7 T HA 0.394 4.930 4.350 0.053 -0.154 0.291 7 T C -0.578 174.118 174.700 -0.007 0.000 0.954 7 T CA -0.213 61.907 62.100 0.033 0.000 1.045 7 T CB 1.017 69.899 68.868 0.024 0.000 0.917 7 T HN 0.344 8.606 8.240 0.036 0.000 0.484 8 N N 5.856 124.571 118.700 0.025 0.000 2.443 8 N HA 0.513 5.420 4.740 -0.015 -0.176 0.293 8 N C -1.223 174.335 175.510 0.080 0.000 1.159 8 N CA -1.850 51.228 53.050 0.047 0.000 0.904 8 N CB 2.630 41.198 38.487 0.135 0.000 1.214 8 N HN 0.040 8.335 8.380 0.035 0.106 0.513 9 T N -0.995 113.606 114.554 0.078 0.000 2.921 9 T HA 0.483 4.857 4.350 0.041 0.000 0.297 9 T C -2.238 172.415 174.700 -0.078 0.000 1.013 9 T CA -3.564 58.549 62.100 0.021 0.000 0.990 9 T CB 1.671 70.520 68.868 -0.032 0.000 1.023 9 T HN 0.206 8.487 8.240 0.068 0.000 0.447 10 P HA 0.368 4.358 4.420 -1.010 -0.176 0.275 10 P C -0.032 177.073 177.300 -0.325 0.000 1.228 10 P CA -0.774 61.943 63.100 -0.639 0.000 0.786 10 P CB 0.794 32.079 31.700 -0.692 0.000 0.927 11 T N -1.858 112.523 114.554 -0.287 0.000 2.729 11 T HA 0.016 4.284 4.350 -0.137 0.000 0.298 11 T C 0.224 174.833 174.700 -0.150 0.000 1.013 11 T CA -1.292 60.712 62.100 -0.161 0.000 0.957 11 T CB 0.825 69.634 68.868 -0.099 0.000 1.130 11 T HN 0.365 8.398 8.240 -0.345 0.000 0.526 12 A N -0.766 121.994 122.820 -0.100 0.000 2.540 12 A HA -0.192 4.060 4.320 -0.113 0.000 0.239 12 A C 0.700 178.217 177.584 -0.111 0.000 1.061 12 A CA 1.539 53.517 52.037 -0.098 0.000 0.758 12 A CB -0.100 18.861 19.000 -0.065 0.000 0.991 12 A HN 0.120 8.221 8.150 -0.082 0.000 0.502 13 N N -1.229 117.374 118.700 -0.161 0.000 2.753 13 N HA -0.377 4.207 4.740 -0.260 0.000 0.251 13 N C -1.110 174.269 175.510 -0.219 0.000 1.097 13 N CA 1.611 54.491 53.050 -0.283 0.000 0.786 13 N CB -0.504 37.689 38.487 -0.491 0.000 1.137 13 N HN 0.752 9.041 8.380 -0.151 0.000 0.566 14 D N -7.616 112.708 120.400 -0.128 0.000 2.723 14 D HA -0.418 4.007 4.640 -0.359 0.000 0.236 14 D C -0.943 175.408 176.300 0.085 0.000 1.138 14 D CA 1.445 55.374 54.000 -0.118 0.000 0.676 14 D CB -2.462 38.400 40.800 0.103 0.000 1.069 14 D HN 0.091 8.309 8.370 -0.165 0.053 0.430 15 E N -2.297 117.955 120.200 0.087 0.000 2.072 15 E HA -0.381 4.182 4.350 0.355 0.000 0.191 15 E C -0.786 175.898 176.600 0.141 0.000 0.985 15 E CA 2.333 58.855 56.400 0.204 0.000 0.801 15 E CB 1.140 30.937 29.700 0.161 0.000 0.750 15 E HN -0.509 7.839 8.360 0.004 0.015 0.452 16 E N -7.431 112.786 120.200 0.028 0.000 2.449 16 E HA 0.248 4.738 4.350 0.234 0.000 0.278 16 E C -2.136 174.409 176.600 -0.091 0.000 0.992 16 E CA -2.067 54.392 56.400 0.098 0.000 0.807 16 E CB 3.122 32.892 29.700 0.118 0.000 1.350 16 E HN -0.783 7.540 8.360 -0.061 0.000 0.462 17 Y N -2.509 117.840 120.300 0.082 0.000 2.376 17 Y HA 0.462 5.202 4.550 0.038 -0.167 0.340 17 Y C -0.958 174.954 175.900 0.021 0.000 0.965 17 Y CA -1.074 57.060 58.100 0.058 0.000 1.078 17 Y CB 2.752 41.266 38.460 0.090 0.000 1.193 17 Y HN 0.395 8.902 8.280 0.378 0.000 0.452 18 I N 2.185 122.798 120.570 0.072 0.000 2.474 18 I HA 0.626 4.960 4.170 -0.015 -0.172 0.294 18 I C -0.747 175.308 176.117 -0.103 0.000 1.005 18 I CA -2.065 59.222 61.300 -0.021 0.000 1.113 18 I CB 2.365 40.342 38.000 -0.039 0.000 1.289 18 I HN 0.459 8.699 8.210 0.051 0.000 0.436 19 T N 6.914 121.331 114.554 -0.228 0.000 2.921 19 T HA 0.702 5.037 4.350 -0.252 -0.136 0.297 19 T C -2.437 172.130 174.700 -0.222 0.000 1.013 19 T CA -2.633 59.245 62.100 -0.370 0.000 0.990 19 T CB 2.261 70.500 68.868 -1.048 0.000 1.023 19 T HN 0.463 8.588 8.240 -0.191 0.000 0.447 20 P HA 0.348 4.904 4.420 -0.074 -0.181 0.278 20 P C -1.604 175.653 177.300 -0.072 0.000 1.238 20 P CA -0.751 62.298 63.100 -0.085 0.000 0.794 20 P CB 0.871 32.532 31.700 -0.065 0.000 0.955 21 V N 1.137 121.011 119.914 -0.068 0.000 2.733 21 V HA 0.400 4.590 4.120 -0.125 -0.145 0.306 21 V C -1.004 175.029 176.094 -0.101 0.000 1.084 21 V CA -1.345 60.891 62.300 -0.106 0.000 0.905 21 V CB 3.503 35.246 31.823 -0.133 0.000 1.010 21 V HN 0.489 8.640 8.190 -0.064 0.000 0.424 22 T N 9.339 123.830 114.554 -0.104 0.000 2.749 22 T HA 0.364 4.852 4.350 -0.054 -0.171 0.287 22 T C -1.192 173.459 174.700 -0.083 0.000 0.970 22 T CA 0.221 62.279 62.100 -0.070 0.000 0.980 22 T CB 0.688 69.528 68.868 -0.046 0.000 0.924 22 T HN 0.321 8.489 8.240 -0.120 0.000 0.456 23 I N 6.620 127.152 120.570 -0.063 0.000 2.410 23 I HA 0.408 4.734 4.170 -0.098 -0.216 0.286 23 I C 0.630 176.768 176.117 0.034 0.000 1.009 23 I CA -1.542 59.709 61.300 -0.080 0.000 1.111 23 I CB 1.816 39.688 38.000 -0.213 0.000 1.262 23 I HN 0.681 8.869 8.210 -0.038 0.000 0.443 24 G N 7.986 116.815 108.800 0.048 0.000 2.305 24 G HA2 -0.403 3.664 3.960 0.078 0.000 0.287 24 G HA3 -0.403 3.657 3.960 0.166 0.000 0.287 24 G C 0.421 175.362 174.900 0.069 0.000 1.036 24 G CA 0.985 46.144 45.100 0.098 0.000 0.887 24 G HN 0.719 9.016 8.290 0.011 0.000 0.505 25 G N -2.366 106.456 108.800 0.037 0.000 2.225 25 G HA2 -0.446 3.524 3.960 0.017 0.000 0.254 25 G HA3 -0.446 3.531 3.960 0.029 0.000 0.254 25 G C -0.275 174.641 174.900 0.026 0.000 0.988 25 G CA 0.191 45.307 45.100 0.027 0.000 0.625 25 G HN 0.353 8.644 8.290 0.023 0.012 0.527 26 T N 4.723 119.302 114.554 0.042 0.000 2.767 26 T HA 0.205 4.572 4.350 0.028 0.000 0.284 26 T C -0.920 173.791 174.700 0.018 0.000 0.973 26 T CA 0.061 62.185 62.100 0.040 0.000 0.996 26 T CB 1.118 70.034 68.868 0.080 0.000 0.927 26 T HN -0.372 7.834 8.240 0.060 0.069 0.456 27 T N 8.536 123.092 114.554 0.003 0.000 2.771 27 T HA 0.297 4.818 4.350 -0.028 -0.188 0.291 27 T C -0.980 173.710 174.700 -0.016 0.000 0.954 27 T CA 0.493 62.583 62.100 -0.017 0.000 1.045 27 T CB 0.702 69.557 68.868 -0.022 0.000 0.917 27 T HN 0.361 8.604 8.240 0.005 0.000 0.484 28 L N 7.388 128.592 121.223 -0.031 0.000 2.333 28 L HA 0.228 4.554 4.340 -0.023 0.000 0.269 28 L C -1.697 175.142 176.870 -0.052 0.000 1.010 28 L CA -1.173 53.646 54.840 -0.034 0.000 0.818 28 L CB 4.008 46.046 42.059 -0.035 0.000 1.306 28 L HN 0.674 8.878 8.230 -0.043 0.000 0.430 29 N N 2.412 121.078 118.700 -0.056 0.000 2.462 29 N HA 0.228 4.930 4.740 -0.064 0.000 0.242 29 N C -1.465 174.008 175.510 -0.063 0.000 1.010 29 N CA -0.423 52.590 53.050 -0.062 0.000 0.939 29 N CB 0.128 38.576 38.487 -0.065 0.000 1.127 29 N HN -0.031 8.634 8.380 -0.053 -0.317 0.509 30 L N 2.629 123.828 121.223 -0.040 0.000 2.330 30 L HA 0.362 4.781 4.340 -0.092 -0.135 0.271 30 L C -1.229 175.671 176.870 0.049 0.000 1.013 30 L CA -1.428 53.396 54.840 -0.027 0.000 0.816 30 L CB 3.124 45.170 42.059 -0.021 0.000 1.287 30 L HN 0.340 8.551 8.230 -0.031 0.000 0.435 31 N N 1.395 120.114 118.700 0.031 0.000 2.437 31 N HA 0.274 5.280 4.740 0.120 -0.194 0.243 31 N C -0.727 174.892 175.510 0.182 0.000 1.041 31 N CA -2.050 51.061 53.050 0.101 0.000 0.940 31 N CB 0.678 39.207 38.487 0.070 0.000 1.133 31 N HN -0.138 8.209 8.380 -0.056 0.000 0.506 32 F N 5.701 125.570 119.950 -0.135 0.000 2.506 32 F HA 0.140 4.677 4.527 -0.285 -0.182 0.371 32 F C -0.090 175.648 175.800 -0.104 0.000 1.078 32 F CA -1.639 56.200 58.000 -0.268 0.000 1.195 32 F CB 0.147 38.713 39.000 -0.723 0.000 1.099 32 F HN 0.256 8.748 8.300 0.321 0.000 0.548 33 D N 3.736 124.155 120.400 0.031 0.000 2.421 33 D HA 0.457 5.200 4.640 0.171 0.000 0.254 33 D C 0.918 177.302 176.300 0.139 0.000 1.238 33 D CA -1.306 52.769 54.000 0.125 0.000 0.919 33 D CB 1.786 42.675 40.800 0.149 0.000 1.152 33 D HN 0.285 8.602 8.370 -0.089 0.000 0.552 34 T N 1.657 116.314 114.554 0.171 0.000 3.163 34 T HA -0.052 4.431 4.350 0.222 0.000 0.260 34 T C 0.981 175.975 174.700 0.490 0.000 1.156 34 T CA 1.401 63.660 62.100 0.265 0.000 1.072 34 T CB 0.088 69.032 68.868 0.127 0.000 0.937 34 T HN 0.240 8.584 8.240 0.173 0.000 0.528 35 G N 0.134 109.194 108.800 0.434 0.000 3.042 35 G HA2 0.113 4.448 3.960 0.625 0.000 0.212 35 G HA3 0.113 4.477 3.960 0.431 -0.145 0.212 35 G C -0.924 174.323 174.900 0.578 0.000 1.166 35 G CA -0.693 44.719 45.100 0.520 0.000 0.767 35 G HN -0.363 8.352 8.290 0.356 -0.212 0.546 36 S N -2.074 113.899 115.700 0.455 0.000 2.671 36 S HA 0.219 4.940 4.470 0.419 0.000 0.277 36 S C -2.112 172.658 174.600 0.284 0.000 1.165 36 S CA -1.599 56.848 58.200 0.411 0.000 0.822 36 S CB 2.517 66.025 63.200 0.513 0.000 1.150 36 S HN -0.739 7.805 8.310 0.390 0.000 0.479 37 A N -0.497 122.455 122.820 0.219 0.000 2.610 37 A HA 0.377 4.778 4.320 0.135 0.000 0.291 37 A C -1.646 175.996 177.584 0.097 0.000 1.116 37 A CA -0.801 51.322 52.037 0.144 0.000 0.963 37 A CB 1.032 20.110 19.000 0.131 0.000 1.220 37 A HN 0.511 8.797 8.150 0.227 0.000 0.530 38 D N -0.977 119.493 120.400 0.116 0.000 2.256 38 D HA 0.192 4.937 4.640 0.003 -0.104 0.246 38 D C -1.268 175.025 176.300 -0.013 0.000 1.042 38 D CA -0.078 53.955 54.000 0.054 0.000 0.841 38 D CB 2.499 43.364 40.800 0.109 0.000 1.223 38 D HN -0.596 7.878 8.370 0.174 0.000 0.470 39 L N 5.085 126.236 121.223 -0.120 0.000 2.272 39 L HA 0.561 4.976 4.340 -0.234 -0.215 0.284 39 L C -1.886 174.841 176.870 -0.239 0.000 1.045 39 L CA -1.108 53.609 54.840 -0.204 0.000 0.842 39 L CB 0.978 42.917 42.059 -0.201 0.000 1.224 39 L HN 0.084 8.358 8.230 -0.126 -0.120 0.430 40 W N 5.450 126.526 121.300 -0.373 0.000 2.761 40 W HA 0.930 5.420 4.660 -0.569 -0.171 0.340 40 W C -2.792 173.606 176.519 -0.201 0.000 1.072 40 W CA -2.754 54.297 57.345 -0.491 0.000 1.215 40 W CB 3.569 32.500 29.460 -0.882 0.000 1.420 40 W HN 0.360 8.328 8.180 -0.353 0.000 0.519 41 V N -5.358 114.694 119.914 0.230 0.000 2.925 41 V HA 0.730 5.009 4.120 -0.004 -0.161 0.311 41 V C -1.468 174.906 176.094 0.466 0.000 1.104 41 V CA -3.564 58.845 62.300 0.181 0.000 0.954 41 V CB 3.056 34.909 31.823 0.050 0.000 1.022 41 V HN 0.382 8.774 8.190 0.336 0.000 0.427 42 F N 4.492 124.551 119.950 0.180 0.000 2.602 42 F HA -0.032 4.647 4.527 0.254 0.000 0.367 42 F C -0.388 175.526 175.800 0.190 0.000 1.126 42 F CA 2.651 60.757 58.000 0.176 0.000 1.321 42 F CB -0.173 38.819 39.000 -0.013 0.000 1.094 42 F HN 0.184 8.867 8.300 0.640 0.000 0.594 43 S N 0.870 116.747 115.700 0.294 0.000 2.685 43 S HA 0.664 5.504 4.470 0.234 -0.230 0.282 43 S C 1.231 175.909 174.600 0.130 0.000 1.159 43 S CA -1.570 56.762 58.200 0.220 0.000 0.833 43 S CB 3.549 66.891 63.200 0.238 0.000 1.151 43 S HN -0.137 8.311 8.310 0.230 0.000 0.485 44 T N -1.732 112.851 114.554 0.049 0.000 3.155 44 T HA -0.150 4.227 4.350 0.045 0.000 0.264 44 T C 0.734 175.449 174.700 0.026 0.000 1.160 44 T CA 2.097 64.210 62.100 0.021 0.000 1.075 44 T CB -0.173 68.670 68.868 -0.042 0.000 0.921 44 T HN 0.298 8.541 8.240 0.005 0.000 0.533 45 E N -0.388 119.839 120.200 0.046 0.000 2.442 45 E HA -0.006 4.368 4.350 0.041 0.000 0.195 45 E C 0.324 176.948 176.600 0.041 0.000 1.030 45 E CA 0.198 56.630 56.400 0.053 0.000 0.869 45 E CB 0.197 29.952 29.700 0.091 0.000 0.857 45 E HN -0.661 7.665 8.360 0.061 0.070 0.505 46 L N 0.791 122.041 121.223 0.044 0.000 2.453 46 L HA 0.062 4.402 4.340 -0.001 0.000 0.261 46 L C -2.059 174.833 176.870 0.038 0.000 1.179 46 L CA -1.534 53.321 54.840 0.024 0.000 0.813 46 L CB -0.571 41.504 42.059 0.026 0.000 1.110 46 L HN -0.903 7.321 8.230 0.062 0.043 0.466 47 P HA -0.057 4.383 4.420 0.034 0.000 0.266 47 P C -0.030 177.309 177.300 0.064 0.000 1.195 47 P CA -0.154 62.970 63.100 0.041 0.000 0.768 47 P CB 0.619 32.340 31.700 0.035 0.000 0.838 48 A N 4.655 127.510 122.820 0.059 0.000 1.948 48 A HA -0.278 4.088 4.320 0.077 0.000 0.220 48 A C 1.790 179.427 177.584 0.088 0.000 1.177 48 A CA 3.071 55.150 52.037 0.070 0.000 0.636 48 A CB -0.482 18.550 19.000 0.052 0.000 0.815 48 A HN 0.403 8.581 8.150 0.047 0.000 0.449 49 S N -2.800 112.948 115.700 0.080 0.000 2.419 49 S HA -0.248 4.274 4.470 0.087 0.000 0.233 49 S C 1.137 175.817 174.600 0.133 0.000 1.016 49 S CA 2.400 60.654 58.200 0.091 0.000 0.974 49 S CB -0.607 62.636 63.200 0.073 0.000 0.786 49 S HN 0.183 8.514 8.310 0.068 0.020 0.492 50 Q N -0.420 119.467 119.800 0.147 0.000 2.389 50 Q HA -0.026 4.456 4.340 0.237 0.000 0.204 50 Q C 0.985 177.176 176.000 0.318 0.000 0.944 50 Q CA 1.591 57.522 55.803 0.214 0.000 0.908 50 Q CB 0.079 28.905 28.738 0.147 0.000 1.002 50 Q HN -0.653 7.660 8.270 0.119 0.028 0.493 51 Q N -2.128 117.829 119.800 0.262 0.000 2.245 51 Q HA -0.089 4.479 4.340 0.381 0.000 0.201 51 Q C 0.617 176.794 176.000 0.295 0.000 0.955 51 Q CA 1.456 57.435 55.803 0.293 0.000 0.870 51 Q CB 0.654 29.509 28.738 0.195 0.000 0.945 51 Q HN -0.698 7.543 8.270 0.197 0.147 0.461 52 S N -0.657 115.177 115.700 0.223 0.000 2.552 52 S HA -0.272 4.265 4.470 0.112 0.000 0.289 52 S C 1.097 175.772 174.600 0.125 0.000 1.304 52 S CA 2.373 60.660 58.200 0.144 0.000 1.063 52 S CB 0.046 63.309 63.200 0.104 0.000 0.848 52 S HN -0.742 7.656 8.310 0.205 0.035 0.499 53 G N 4.086 112.884 108.800 -0.003 0.000 2.179 53 G HA2 -0.245 3.630 3.960 -0.143 0.000 0.260 53 G HA3 -0.245 3.584 3.960 -0.220 0.000 0.260 53 G C -0.919 173.723 174.900 -0.430 0.000 0.977 53 G CA 0.234 45.224 45.100 -0.184 0.000 0.641 53 G HN 0.401 8.698 8.290 0.011 0.000 0.533 54 H N -0.328 118.698 119.070 -0.074 0.000 2.731 54 H HA 0.339 4.877 4.556 -0.195 -0.100 0.368 54 H C -0.786 174.503 175.328 -0.065 0.000 1.168 54 H CA -1.427 54.532 56.048 -0.148 0.000 1.181 54 H CB 3.294 32.892 29.762 -0.273 0.000 1.743 54 H HN -0.484 7.764 8.280 0.056 0.066 0.547 55 S N 2.272 118.004 115.700 0.053 0.000 2.562 55 S HA 0.078 4.585 4.470 0.062 0.000 0.275 55 S C -1.043 173.627 174.600 0.117 0.000 1.281 55 S CA -0.071 58.166 58.200 0.063 0.000 1.045 55 S CB 0.779 63.994 63.200 0.025 0.000 0.962 55 S HN 0.004 8.483 8.310 0.013 -0.162 0.503 56 V N -1.938 118.056 119.914 0.134 0.000 2.823 56 V HA 0.209 4.588 4.120 0.235 -0.118 0.312 56 V C -2.000 174.205 176.094 0.184 0.000 1.072 56 V CA -2.970 59.443 62.300 0.189 0.000 0.937 56 V CB 2.562 34.500 31.823 0.192 0.000 1.013 56 V HN -0.151 8.103 8.190 0.106 0.000 0.430 57 Y N 3.790 124.130 120.300 0.066 0.000 2.335 57 Y HA -0.003 4.546 4.550 -0.001 0.000 0.331 57 Y C -1.900 173.990 175.900 -0.017 0.000 1.094 57 Y CA -0.361 57.748 58.100 0.015 0.000 1.253 57 Y CB 1.768 40.239 38.460 0.018 0.000 1.203 57 Y HN 0.127 8.609 8.280 0.338 0.000 0.508 58 N N 8.038 126.446 118.700 -0.486 0.000 2.621 58 N HA 0.453 4.932 4.740 -0.435 0.000 0.237 58 N C -1.409 173.550 175.510 -0.918 0.000 0.997 58 N CA -4.358 48.375 53.050 -0.528 0.000 0.918 58 N CB 1.466 39.802 38.487 -0.251 0.000 1.122 58 N HN 0.384 8.557 8.380 -0.345 0.000 0.510 59 P HA -0.079 3.457 4.420 -1.474 0.000 0.221 59 P C 1.112 178.008 177.300 -0.674 0.000 1.150 59 P CA 1.477 63.810 63.100 -1.277 0.000 0.800 59 P CB 0.350 30.945 31.700 -1.841 0.000 0.787 60 S N -1.202 114.234 115.700 -0.440 0.000 2.399 60 S HA -0.314 4.055 4.470 -0.169 0.000 0.231 60 S C 1.074 175.583 174.600 -0.152 0.000 1.022 60 S CA 2.874 60.946 58.200 -0.213 0.000 0.983 60 S CB -0.980 62.132 63.200 -0.146 0.000 0.803 60 S HN 0.035 8.040 8.310 -0.453 0.033 0.480 61 A N 2.389 125.099 122.820 -0.183 0.000 1.897 61 A HA -0.101 4.174 4.320 -0.075 0.000 0.215 61 A C 1.057 178.604 177.584 -0.061 0.000 1.181 61 A CA 2.348 54.323 52.037 -0.104 0.000 0.620 61 A CB 0.323 19.265 19.000 -0.096 0.000 0.821 61 A HN -0.267 7.698 8.150 -0.256 0.031 0.443 62 T N -8.947 105.568 114.554 -0.065 0.000 3.080 62 T HA 0.107 4.471 4.350 0.023 0.000 0.280 62 T C 0.581 175.324 174.700 0.071 0.000 0.926 62 T CA -0.961 61.150 62.100 0.019 0.000 0.883 62 T CB 1.744 70.648 68.868 0.061 0.000 1.194 62 T HN -0.641 7.518 8.240 -0.134 0.000 0.541 63 G N 1.591 110.422 108.800 0.053 0.000 2.476 63 G HA2 0.071 4.393 3.960 0.244 0.000 0.286 63 G HA3 0.071 4.150 3.960 0.198 0.000 0.286 63 G C -0.977 174.078 174.900 0.257 0.000 1.177 63 G CA -0.620 44.597 45.100 0.195 0.000 0.870 63 G HN -0.449 7.803 8.290 -0.064 0.000 0.528 64 K N 1.077 121.667 120.400 0.317 0.000 2.394 64 K HA 0.351 4.810 4.320 0.231 0.000 0.260 64 K C -0.474 176.263 176.600 0.229 0.000 0.967 64 K CA -2.513 53.917 56.287 0.239 0.000 0.855 64 K CB 1.628 34.199 32.500 0.119 0.000 1.101 64 K HN -0.160 8.278 8.250 0.313 0.000 0.433 65 E N 4.165 124.461 120.200 0.161 0.000 2.415 65 E HA -0.017 4.075 4.350 -0.660 -0.138 0.262 65 E C -0.166 176.321 176.600 -0.190 0.000 1.038 65 E CA 0.256 56.515 56.400 -0.235 0.000 0.921 65 E CB 0.347 29.932 29.700 -0.192 0.000 0.950 65 E HN 0.404 8.900 8.360 0.227 0.000 0.438 66 L N 5.065 126.114 121.223 -0.290 0.000 2.288 66 L HA 0.202 4.407 4.340 -0.225 0.000 0.283 66 L C -0.673 176.163 176.870 -0.057 0.000 1.072 66 L CA -1.475 53.220 54.840 -0.242 0.000 0.862 66 L CB -0.416 41.366 42.059 -0.461 0.000 1.245 66 L HN 0.184 8.171 8.230 -0.405 0.000 0.432 67 S N 4.159 119.864 115.700 0.010 0.000 2.537 67 S HA -0.237 4.243 4.470 0.016 0.000 0.286 67 S C 1.029 175.740 174.600 0.185 0.000 1.299 67 S CA 1.822 60.056 58.200 0.057 0.000 1.067 67 S CB 0.514 63.738 63.200 0.040 0.000 0.864 67 S HN 0.474 8.774 8.310 -0.016 0.000 0.494 68 G N 5.509 114.377 108.800 0.112 0.000 2.176 68 G HA2 -0.256 3.710 3.960 0.011 0.000 0.253 68 G HA3 -0.256 3.729 3.960 0.042 0.000 0.253 68 G C -0.828 174.077 174.900 0.009 0.000 0.979 68 G CA 0.188 45.322 45.100 0.056 0.000 0.641 68 G HN 0.316 8.644 8.290 0.063 0.000 0.530 69 Y N 1.323 121.598 120.300 -0.041 0.000 2.352 69 Y HA 0.362 5.083 4.550 -0.006 -0.174 0.326 69 Y C -0.446 175.457 175.900 0.006 0.000 1.166 69 Y CA -0.409 57.682 58.100 -0.015 0.000 1.182 69 Y CB 1.939 40.391 38.460 -0.014 0.000 1.216 69 Y HN -0.756 7.653 8.280 0.319 0.062 0.474 70 T N -2.987 111.647 114.554 0.134 0.000 2.812 70 T HA 0.620 5.159 4.350 0.141 -0.105 0.294 70 T C -1.780 173.051 174.700 0.219 0.000 1.159 70 T CA -1.962 60.202 62.100 0.107 0.000 1.008 70 T CB 3.148 71.992 68.868 -0.040 0.000 1.289 70 T HN 0.548 8.843 8.240 0.092 0.000 0.514 71 W N -3.470 117.823 121.300 -0.012 0.000 3.118 71 W HA 0.553 5.201 4.660 -0.020 0.000 0.328 71 W C -3.012 173.463 176.519 -0.074 0.000 1.239 71 W CA -1.771 55.559 57.345 -0.025 0.000 1.176 71 W CB 2.863 32.324 29.460 0.002 0.000 1.433 71 W HN 0.199 8.257 8.180 -0.203 0.000 0.562 72 S N 1.592 117.306 115.700 0.022 0.000 2.605 72 S HA 0.437 4.815 4.470 -0.432 -0.167 0.279 72 S C -1.545 173.043 174.600 -0.021 0.000 1.166 72 S CA -0.291 57.797 58.200 -0.186 0.000 0.975 72 S CB 2.012 65.088 63.200 -0.207 0.000 1.111 72 S HN -0.121 8.309 8.310 0.200 0.000 0.465 73 I N 6.484 127.025 120.570 -0.049 0.000 2.689 73 I HA 0.392 4.510 4.170 -0.087 0.000 0.299 73 I C -2.575 173.409 176.117 -0.223 0.000 1.059 73 I CA -1.252 59.981 61.300 -0.111 0.000 1.055 73 I CB 4.177 42.129 38.000 -0.079 0.000 1.243 73 I HN 0.617 8.751 8.210 -0.126 0.000 0.425 74 S N 5.261 120.795 115.700 -0.277 0.000 2.536 74 S HA 0.668 5.248 4.470 -0.081 -0.159 0.287 74 S C -1.227 173.237 174.600 -0.227 0.000 1.101 74 S CA -0.979 57.118 58.200 -0.171 0.000 0.950 74 S CB 2.585 65.762 63.200 -0.039 0.000 1.056 74 S HN 0.001 8.158 8.310 -0.256 0.000 0.481 75 Y N 3.490 123.910 120.300 0.199 0.000 2.621 75 Y HA 0.281 4.968 4.550 0.228 0.000 0.334 75 Y C 0.987 176.976 175.900 0.147 0.000 1.074 75 Y CA -1.392 56.835 58.100 0.211 0.000 1.149 75 Y CB 2.305 40.928 38.460 0.272 0.000 1.302 75 Y HN 0.031 8.453 8.280 0.238 0.000 0.501 76 G N 0.402 109.395 108.800 0.322 0.000 2.432 76 G HA2 -0.427 3.625 3.960 0.152 0.000 0.219 76 G HA3 -0.427 3.625 3.960 0.153 0.000 0.219 76 G C 0.063 175.035 174.900 0.119 0.000 1.135 76 G CA 1.859 47.065 45.100 0.177 0.000 0.767 76 G HN 0.655 9.180 8.290 0.392 0.000 0.550 77 D N -0.013 120.465 120.400 0.129 0.000 2.336 77 D HA -0.057 4.606 4.640 0.039 0.000 0.229 77 D C 1.240 177.579 176.300 0.065 0.000 1.061 77 D CA -1.105 52.934 54.000 0.065 0.000 0.875 77 D CB -1.170 39.647 40.800 0.027 0.000 0.904 77 D HN -0.477 7.998 8.370 0.175 0.000 0.525 78 G N -0.536 108.328 108.800 0.107 0.000 2.176 78 G HA2 -0.405 3.609 3.960 0.090 0.000 0.253 78 G HA3 -0.405 3.589 3.960 0.056 0.000 0.253 78 G C 0.108 175.073 174.900 0.109 0.000 0.979 78 G CA -0.001 45.152 45.100 0.088 0.000 0.641 78 G HN -0.152 8.034 8.290 0.142 0.189 0.530 79 S N 1.394 117.185 115.700 0.151 0.000 2.600 79 S HA 0.039 4.567 4.470 0.097 0.000 0.265 79 S C -0.785 174.060 174.600 0.408 0.000 1.325 79 S CA 0.397 58.706 58.200 0.182 0.000 1.002 79 S CB 1.955 65.107 63.200 -0.080 0.000 0.921 79 S HN -0.538 8.063 8.310 0.156 -0.197 0.554 80 S N -2.232 113.744 115.700 0.461 0.000 2.587 80 S HA 0.662 5.439 4.470 0.291 -0.132 0.269 80 S C -2.156 172.549 174.600 0.175 0.000 1.154 80 S CA -0.423 57.947 58.200 0.283 0.000 0.824 80 S CB 3.192 66.436 63.200 0.073 0.000 1.118 80 S HN -0.024 8.565 8.310 0.465 0.000 0.462 81 A N -1.540 121.183 122.820 -0.162 0.000 2.608 81 A HA 0.774 4.965 4.320 -0.437 -0.133 0.292 81 A C -2.455 174.640 177.584 -0.814 0.000 1.066 81 A CA -0.211 51.505 52.037 -0.535 0.000 0.676 81 A CB 3.382 21.706 19.000 -1.128 0.000 1.277 81 A HN 0.058 8.118 8.150 -0.150 0.000 0.413 82 S N -2.060 112.933 115.700 -1.178 0.000 2.615 82 S HA 0.528 3.624 4.470 -2.441 -0.090 0.269 82 S C -1.066 172.577 174.600 -1.594 0.000 1.161 82 S CA -1.022 56.182 58.200 -1.659 0.000 0.817 82 S CB 3.071 65.780 63.200 -0.818 0.000 1.131 82 S HN 0.336 8.084 8.310 -0.936 0.000 0.467 83 G N -1.158 106.632 108.800 -1.684 0.000 2.441 83 G HA2 0.271 4.146 3.960 -0.404 0.000 0.225 83 G HA3 0.271 4.293 3.960 -0.268 -0.223 0.225 83 G C -2.945 171.779 174.900 -0.293 0.000 1.200 83 G CA 0.774 45.492 45.100 -0.637 0.000 0.947 83 G HN 0.097 7.210 8.290 -1.961 0.000 0.484 84 N N -1.262 117.595 118.700 0.262 0.000 2.890 84 N HA 0.472 5.356 4.740 0.241 0.000 0.317 84 N C -1.810 173.953 175.510 0.421 0.000 1.355 84 N CA -1.427 51.793 53.050 0.283 0.000 0.803 84 N CB 3.930 42.482 38.487 0.108 0.000 1.465 84 N HN -0.182 8.437 8.380 0.398 0.000 0.591 85 V N -2.307 117.647 119.914 0.067 0.000 2.638 85 V HA 0.543 4.935 4.120 0.192 -0.157 0.306 85 V C -1.645 174.239 176.094 -0.349 0.000 1.052 85 V CA -1.317 61.002 62.300 0.031 0.000 0.885 85 V CB 2.386 34.258 31.823 0.082 0.000 0.999 85 V HN 0.297 8.420 8.190 -0.113 0.000 0.424 86 F N 4.399 124.420 119.950 0.118 0.000 2.576 86 F HA 0.614 5.351 4.527 0.080 -0.163 0.313 86 F C -0.775 175.055 175.800 0.050 0.000 1.078 86 F CA -1.619 56.447 58.000 0.109 0.000 0.921 86 F CB 4.594 43.726 39.000 0.220 0.000 1.232 86 F HN 0.644 9.134 8.300 0.318 0.000 0.459 87 T N -1.411 113.256 114.554 0.187 0.000 2.907 87 T HA 0.661 5.268 4.350 0.071 -0.214 0.284 87 T C -0.567 174.219 174.700 0.143 0.000 1.004 87 T CA -1.462 60.701 62.100 0.106 0.000 1.063 87 T CB 1.652 70.543 68.868 0.039 0.000 0.992 87 T HN 0.650 8.993 8.240 0.171 0.000 0.483 88 D N 1.713 122.161 120.400 0.080 0.000 2.713 88 D HA 0.398 5.099 4.640 0.102 0.000 0.306 88 D C -2.395 173.916 176.300 0.019 0.000 1.299 88 D CA -0.907 53.140 54.000 0.078 0.000 0.823 88 D CB 3.909 44.774 40.800 0.108 0.000 1.353 88 D HN -0.047 8.349 8.370 0.042 0.000 0.447 89 S N 0.450 116.159 115.700 0.015 0.000 2.523 89 S HA 0.393 5.001 4.470 -0.080 -0.186 0.275 89 S C -0.673 173.882 174.600 -0.074 0.000 1.281 89 S CA 0.013 58.186 58.200 -0.046 0.000 1.050 89 S CB 0.744 63.935 63.200 -0.016 0.000 0.937 89 S HN 0.228 8.564 8.310 0.043 0.000 0.492 90 V N 9.065 128.922 119.914 -0.094 0.000 2.483 90 V HA 0.588 4.816 4.120 -0.120 -0.179 0.297 90 V C -1.324 174.732 176.094 -0.063 0.000 1.027 90 V CA -0.955 61.291 62.300 -0.090 0.000 0.855 90 V CB 3.268 35.056 31.823 -0.057 0.000 0.995 90 V HN 0.389 8.509 8.190 -0.117 0.000 0.424 91 T N 10.073 124.552 114.554 -0.126 0.000 2.812 91 T HA 0.658 5.196 4.350 -0.045 -0.214 0.282 91 T C -1.550 173.020 174.700 -0.218 0.000 0.990 91 T CA -0.957 61.078 62.100 -0.108 0.000 0.960 91 T CB 1.713 70.539 68.868 -0.069 0.000 0.948 91 T HN 0.616 8.772 8.240 -0.140 0.000 0.438 92 V N 5.760 125.507 119.914 -0.278 0.000 2.525 92 V HA 0.172 4.144 4.120 -0.246 0.000 0.299 92 V C 0.368 176.389 176.094 -0.122 0.000 1.034 92 V CA -1.393 60.698 62.300 -0.349 0.000 0.863 92 V CB 2.293 33.553 31.823 -0.939 0.000 0.999 92 V HN 0.291 8.381 8.190 -0.166 0.000 0.423 93 G N 8.215 117.010 108.800 -0.009 0.000 2.283 93 G HA2 -0.456 3.647 3.960 0.092 0.000 0.280 93 G HA3 -0.456 3.605 3.960 0.169 0.000 0.280 93 G C 0.452 175.403 174.900 0.085 0.000 1.029 93 G CA 0.823 45.978 45.100 0.092 0.000 0.840 93 G HN 1.024 9.301 8.290 -0.022 0.000 0.505 94 G N -4.029 104.795 108.800 0.039 0.000 2.179 94 G HA2 -0.356 3.620 3.960 0.026 0.000 0.260 94 G HA3 -0.356 3.635 3.960 0.053 0.000 0.260 94 G C -0.514 174.418 174.900 0.053 0.000 0.977 94 G CA -0.009 45.116 45.100 0.042 0.000 0.641 94 G HN -0.042 8.229 8.290 0.012 0.026 0.533 95 V N 3.465 123.421 119.914 0.070 0.000 2.383 95 V HA 0.172 4.339 4.120 0.077 0.000 0.275 95 V C -1.003 175.146 176.094 0.091 0.000 1.036 95 V CA -0.819 61.538 62.300 0.095 0.000 0.889 95 V CB -0.203 31.707 31.823 0.145 0.000 0.985 95 V HN -0.252 7.792 8.190 0.062 0.183 0.459 96 T N 9.787 124.338 114.554 -0.005 0.000 2.767 96 T HA 0.393 4.884 4.350 -0.068 -0.181 0.284 96 T C -1.129 173.385 174.700 -0.311 0.000 0.973 96 T CA -0.607 61.398 62.100 -0.159 0.000 0.996 96 T CB 1.206 69.900 68.868 -0.291 0.000 0.927 96 T HN 0.436 8.677 8.240 0.002 0.000 0.456 97 A N 7.460 130.141 122.820 -0.231 0.000 2.252 97 A HA 0.372 4.529 4.320 -0.272 0.000 0.309 97 A C -1.463 175.919 177.584 -0.338 0.000 1.285 97 A CA -1.355 50.518 52.037 -0.273 0.000 0.900 97 A CB 1.344 20.233 19.000 -0.185 0.000 1.157 97 A HN 0.687 8.819 8.150 -0.031 0.000 0.536 98 H N 5.534 124.585 119.070 -0.032 0.000 2.502 98 H HA -0.019 4.535 4.556 -0.003 0.000 0.327 98 H C 0.912 176.225 175.328 -0.025 0.000 1.099 98 H CA 0.511 56.549 56.048 -0.017 0.000 1.323 98 H CB 1.081 30.832 29.762 -0.019 0.000 1.450 98 H HN 0.343 8.593 8.280 -0.051 0.000 0.502 99 G N 2.809 111.660 108.800 0.086 0.000 2.179 99 G HA2 -0.447 3.540 3.960 0.046 0.000 0.257 99 G HA3 -0.447 3.539 3.960 0.043 0.000 0.257 99 G C -0.548 174.354 174.900 0.003 0.000 1.010 99 G CA 0.420 45.546 45.100 0.043 0.000 0.736 99 G HN 0.382 8.726 8.290 0.091 0.000 0.513 100 Q N -0.624 119.169 119.800 -0.012 0.000 2.332 100 Q HA -0.122 4.193 4.340 -0.040 0.000 0.263 100 Q C -0.696 175.286 176.000 -0.031 0.000 0.979 100 Q CA -0.607 55.177 55.803 -0.031 0.000 0.885 100 Q CB 1.109 29.832 28.738 -0.024 0.000 1.218 100 Q HN -0.765 7.460 8.270 -0.011 0.038 0.405 101 A N 6.019 128.814 122.820 -0.042 0.000 2.451 101 A HA -0.018 4.420 4.320 -0.024 -0.133 0.266 101 A C -1.031 176.509 177.584 -0.074 0.000 1.119 101 A CA 0.205 52.215 52.037 -0.044 0.000 0.786 101 A CB 0.212 19.181 19.000 -0.050 0.000 1.061 101 A HN 0.502 8.626 8.150 -0.045 0.000 0.503 102 V N 5.580 125.461 119.914 -0.054 0.000 2.384 102 V HA 0.089 4.099 4.120 -0.184 0.000 0.287 102 V C -1.204 174.867 176.094 -0.038 0.000 1.020 102 V CA -0.551 61.673 62.300 -0.127 0.000 0.850 102 V CB 2.274 33.930 31.823 -0.277 0.000 0.987 102 V HN 0.706 8.901 8.190 0.009 0.000 0.436 103 Q N 7.953 127.626 119.800 -0.212 0.000 2.421 103 Q HA 0.386 4.735 4.340 -0.210 -0.135 0.242 103 Q C -1.188 174.811 176.000 -0.002 0.000 1.024 103 Q CA -1.390 54.142 55.803 -0.452 0.000 0.891 103 Q CB 0.471 28.339 28.738 -1.450 0.000 1.222 103 Q HN 0.207 8.317 8.270 -0.267 0.000 0.483 104 A N 5.450 128.566 122.820 0.493 0.000 2.409 104 A HA 0.236 4.859 4.320 0.504 0.000 0.267 104 A C -1.675 176.329 177.584 0.701 0.000 1.127 104 A CA -0.849 51.543 52.037 0.591 0.000 0.795 104 A CB 1.163 20.541 19.000 0.630 0.000 1.061 104 A HN 0.162 8.649 8.150 0.561 0.000 0.502 105 A N 4.297 127.461 122.820 0.574 0.000 2.401 105 A HA 0.077 4.794 4.320 0.433 -0.138 0.259 105 A C -1.113 176.538 177.584 0.111 0.000 1.103 105 A CA -0.035 52.215 52.037 0.355 0.000 0.789 105 A CB 0.553 19.642 19.000 0.148 0.000 1.035 105 A HN -0.004 8.455 8.150 0.516 0.000 0.491 106 Q N 0.483 120.253 119.800 -0.049 0.000 2.402 106 Q HA 0.134 4.459 4.340 -0.025 0.000 0.231 106 Q C 0.513 176.427 176.000 -0.143 0.000 0.888 106 Q CA 0.903 56.657 55.803 -0.081 0.000 0.938 106 Q CB 2.205 30.888 28.738 -0.092 0.000 1.086 106 Q HN 0.117 8.299 8.270 -0.147 0.000 0.543 107 Q N -3.048 116.608 119.800 -0.240 0.000 2.331 107 Q HA 0.355 4.600 4.340 -0.159 0.000 0.272 107 Q C -2.156 173.678 176.000 -0.278 0.000 1.062 107 Q CA -0.942 54.728 55.803 -0.221 0.000 0.806 107 Q CB 3.983 32.588 28.738 -0.222 0.000 1.312 107 Q HN -0.568 7.512 8.270 -0.317 0.000 0.431 108 I N -2.243 118.219 120.570 -0.180 0.000 2.686 108 I HA 0.580 4.646 4.170 -0.173 0.000 0.295 108 I C -1.360 174.788 176.117 0.051 0.000 1.114 108 I CA -2.073 59.160 61.300 -0.112 0.000 1.038 108 I CB 3.482 41.390 38.000 -0.153 0.000 1.238 108 I HN 0.234 8.368 8.210 -0.128 0.000 0.420 109 S N 3.645 119.454 115.700 0.181 0.000 2.634 109 S HA 0.027 4.543 4.470 0.077 0.000 0.261 109 S C 1.309 175.993 174.600 0.140 0.000 1.271 109 S CA -1.420 56.863 58.200 0.138 0.000 0.985 109 S CB 2.452 65.734 63.200 0.137 0.000 0.968 109 S HN 0.117 8.602 8.310 0.291 0.000 0.568 110 A N 0.820 123.685 122.820 0.074 0.000 1.917 110 A HA -0.385 3.986 4.320 0.084 0.000 0.219 110 A C 1.725 179.341 177.584 0.054 0.000 1.182 110 A CA 3.621 55.697 52.037 0.065 0.000 0.633 110 A CB -0.478 18.543 19.000 0.034 0.000 0.819 110 A HN 0.666 8.849 8.150 0.056 0.000 0.448 111 Q N -1.717 118.062 119.800 -0.034 0.000 2.061 111 Q HA -0.278 4.024 4.340 -0.063 0.000 0.204 111 Q C 2.703 178.659 176.000 -0.073 0.000 0.984 111 Q CA 2.812 58.536 55.803 -0.131 0.000 0.846 111 Q CB -0.186 28.367 28.738 -0.308 0.000 0.902 111 Q HN -0.035 8.207 8.270 -0.047 0.000 0.421 112 F N -1.550 118.539 119.950 0.233 0.000 2.234 112 F HA -0.162 4.595 4.527 0.384 0.000 0.299 112 F C 2.610 178.648 175.800 0.396 0.000 1.087 112 F CA 2.818 61.033 58.000 0.359 0.000 1.340 112 F CB -0.209 39.045 39.000 0.425 0.000 1.031 112 F HN -0.385 7.873 8.300 -0.070 0.000 0.500 113 Q N -3.064 116.978 119.800 0.403 0.000 2.364 113 Q HA -0.281 4.300 4.340 0.402 0.000 0.209 113 Q C 1.201 177.371 176.000 0.283 0.000 0.977 113 Q CA 2.503 58.504 55.803 0.329 0.000 0.885 113 Q CB -0.329 28.528 28.738 0.199 0.000 0.941 113 Q HN -0.411 8.058 8.270 0.331 0.000 0.464 114 Q N -4.809 115.127 119.800 0.227 0.000 2.319 114 Q HA 0.121 4.549 4.340 0.147 0.000 0.209 114 Q C -0.735 175.361 176.000 0.159 0.000 0.884 114 Q CA -0.164 55.732 55.803 0.155 0.000 0.938 114 Q CB 1.108 29.900 28.738 0.091 0.000 1.098 114 Q HN -0.736 7.500 8.270 0.220 0.166 0.517 115 D N -0.177 120.366 120.400 0.237 0.000 2.441 115 D HA 0.216 4.928 4.640 0.120 0.000 0.231 115 D C -0.163 176.266 176.300 0.214 0.000 1.073 115 D CA -1.209 52.908 54.000 0.195 0.000 0.850 115 D CB 0.571 41.507 40.800 0.227 0.000 1.062 115 D HN -0.822 7.633 8.370 0.323 0.108 0.524 116 T N 1.975 116.551 114.554 0.037 0.000 3.122 116 T HA 0.184 4.297 4.350 -0.395 0.000 0.250 116 T C 0.273 174.853 174.700 -0.200 0.000 1.067 116 T CA -0.491 61.475 62.100 -0.222 0.000 0.966 116 T CB 0.104 68.806 68.868 -0.275 0.000 1.002 116 T HN 0.196 8.452 8.240 0.027 0.000 0.542 117 N N 0.308 118.974 118.700 -0.057 0.000 2.457 117 N HA -0.090 4.594 4.740 -0.093 0.000 0.180 117 N C -0.655 174.827 175.510 -0.047 0.000 1.050 117 N CA 1.774 54.788 53.050 -0.059 0.000 0.906 117 N CB 0.526 38.995 38.487 -0.030 0.000 0.968 117 N HN -0.005 8.636 8.380 0.001 -0.261 0.445 118 N N -2.857 115.842 118.700 -0.003 0.000 2.405 118 N HA 0.171 5.002 4.740 -0.045 -0.118 0.285 118 N C -1.886 173.587 175.510 -0.061 0.000 1.262 118 N CA -1.071 51.969 53.050 -0.017 0.000 0.773 118 N CB 3.367 41.861 38.487 0.012 0.000 1.490 118 N HN -0.955 7.416 8.380 0.043 0.035 0.486 119 D N -2.610 117.716 120.400 -0.123 0.000 2.501 119 D HA 0.234 4.554 4.640 -0.533 0.000 0.226 119 D C -0.326 175.917 176.300 -0.096 0.000 1.198 119 D CA -0.393 53.484 54.000 -0.205 0.000 0.830 119 D CB 1.287 42.040 40.800 -0.079 0.000 1.014 119 D HN 0.208 8.516 8.370 -0.103 0.000 0.496 120 G N -2.293 106.325 108.800 -0.304 0.000 2.315 120 G HA2 -0.131 2.788 3.960 -1.735 0.000 0.296 120 G HA3 -0.131 3.456 3.960 -0.910 -0.173 0.296 120 G C -3.212 171.220 174.900 -0.781 0.000 1.289 120 G CA -0.164 44.352 45.100 -0.973 0.000 0.996 120 G HN -0.413 7.922 8.290 -0.228 -0.181 0.487 121 L N -1.258 119.339 121.223 -1.044 0.000 2.370 121 L HA 0.591 4.881 4.340 -0.333 -0.150 0.266 121 L C -1.899 174.725 176.870 -0.409 0.000 1.002 121 L CA -0.914 53.601 54.840 -0.542 0.000 0.818 121 L CB 4.817 46.653 42.059 -0.372 0.000 1.325 121 L HN -0.079 7.253 8.230 -1.497 0.000 0.418 122 L N 1.758 122.800 121.223 -0.302 0.000 2.345 122 L HA 0.474 4.595 4.340 -0.364 0.000 0.274 122 L C -1.706 174.957 176.870 -0.344 0.000 0.999 122 L CA -1.327 53.255 54.840 -0.430 0.000 0.849 122 L CB 3.093 44.672 42.059 -0.799 0.000 1.220 122 L HN 0.149 8.248 8.230 -0.218 0.000 0.422 123 G N 4.045 112.740 108.800 -0.174 0.000 2.432 123 G HA2 0.240 4.377 3.960 0.003 0.000 0.257 123 G HA3 0.240 4.274 3.960 0.040 -0.050 0.257 123 G C -1.671 173.181 174.900 -0.081 0.000 1.238 123 G CA -0.027 45.048 45.100 -0.041 0.000 0.838 123 G HN -0.104 8.002 8.290 -0.156 0.090 0.547 124 L N 1.067 122.276 121.223 -0.023 0.000 3.298 124 L HA 0.341 4.662 4.340 -0.032 0.000 0.296 124 L C -0.864 176.187 176.870 0.302 0.000 1.237 124 L CA -1.413 53.407 54.840 -0.034 0.000 1.038 124 L CB 0.415 42.203 42.059 -0.452 0.000 1.423 124 L HN 0.123 8.379 8.230 0.044 0.000 0.605 125 A N -0.030 122.989 122.820 0.332 0.000 2.292 125 A HA 0.026 4.660 4.320 0.524 0.000 0.265 125 A C -0.455 177.209 177.584 0.134 0.000 1.133 125 A CA -0.046 52.214 52.037 0.371 0.000 0.807 125 A CB 0.806 20.051 19.000 0.409 0.000 1.102 125 A HN -0.450 7.862 8.150 0.270 0.000 0.502 126 F N -3.551 116.441 119.950 0.070 0.000 2.506 126 F HA -0.121 4.458 4.527 0.086 0.000 0.351 126 F C 2.140 177.962 175.800 0.036 0.000 1.136 126 F CA 1.756 59.764 58.000 0.013 0.000 1.298 126 F CB 0.236 39.152 39.000 -0.141 0.000 1.145 126 F HN -0.402 8.059 8.300 0.268 0.000 0.593 127 S N 2.704 118.514 115.700 0.184 0.000 2.474 127 S HA -0.250 4.281 4.470 0.102 0.000 0.235 127 S C 1.864 176.517 174.600 0.088 0.000 0.997 127 S CA 3.596 61.863 58.200 0.112 0.000 0.949 127 S CB -0.279 62.970 63.200 0.081 0.000 0.766 127 S HN 0.129 8.694 8.310 0.199 -0.136 0.517 128 S N 0.391 116.145 115.700 0.090 0.000 2.440 128 S HA -0.252 4.235 4.470 0.029 0.000 0.238 128 S C 1.002 175.609 174.600 0.011 0.000 1.010 128 S CA 2.388 60.607 58.200 0.033 0.000 0.972 128 S CB -0.325 62.872 63.200 -0.006 0.000 0.774 128 S HN 0.178 8.523 8.310 0.134 0.045 0.501 129 I N -6.563 114.018 120.570 0.019 0.000 3.941 129 I HA 0.240 4.401 4.170 -0.015 0.000 0.335 129 I C -0.749 175.394 176.117 0.045 0.000 1.402 129 I CA -1.281 60.017 61.300 -0.003 0.000 1.112 129 I CB -0.149 37.805 38.000 -0.077 0.000 1.043 129 I HN -0.804 7.389 8.210 0.048 0.046 0.395 130 N N 2.791 121.527 118.700 0.061 0.000 2.458 130 N HA -0.201 4.768 4.740 0.083 -0.180 0.258 130 N C 0.743 176.298 175.510 0.075 0.000 1.219 130 N CA 1.003 54.096 53.050 0.073 0.000 0.902 130 N CB 1.258 39.783 38.487 0.063 0.000 1.076 130 N HN -0.460 7.786 8.380 0.060 0.169 0.455 131 T N 0.698 115.312 114.554 0.100 0.000 3.107 131 T HA 0.035 4.433 4.350 0.079 0.000 0.249 131 T C 0.526 175.312 174.700 0.143 0.000 1.096 131 T CA -0.230 61.937 62.100 0.112 0.000 1.012 131 T CB 0.422 69.369 68.868 0.132 0.000 0.977 131 T HN 0.063 8.789 8.240 0.108 -0.420 0.527 132 V N 4.419 124.428 119.914 0.158 0.000 2.673 132 V HA -0.189 4.262 4.120 0.262 -0.173 0.303 132 V C -0.380 175.798 176.094 0.140 0.000 1.046 132 V CA 1.570 63.991 62.300 0.202 0.000 1.126 132 V CB -0.349 31.598 31.823 0.207 0.000 0.934 132 V HN -0.560 7.919 8.190 0.133 -0.209 0.487 133 Q N 6.544 126.403 119.800 0.098 0.000 2.377 133 Q HA 0.511 4.823 4.340 -0.047 0.000 0.271 133 Q C -1.569 174.258 176.000 -0.290 0.000 1.077 133 Q CA -3.284 52.487 55.803 -0.052 0.000 0.820 133 Q CB 1.383 30.084 28.738 -0.061 0.000 1.347 133 Q HN 0.402 8.754 8.270 0.136 0.000 0.444 134 P HA -0.050 4.261 4.420 -0.183 0.000 0.240 134 P C -1.079 176.151 177.300 -0.116 0.000 1.190 134 P CA 0.793 63.726 63.100 -0.278 0.000 0.781 134 P CB 0.601 32.116 31.700 -0.309 0.000 0.931 135 Q N -0.790 119.010 119.800 0.000 0.000 2.340 135 Q HA 0.094 4.477 4.340 0.072 0.000 0.268 135 Q C -0.587 175.525 176.000 0.187 0.000 1.031 135 Q CA -1.656 54.230 55.803 0.140 0.000 0.804 135 Q CB 2.455 31.320 28.738 0.212 0.000 1.286 135 Q HN -0.463 7.783 8.270 -0.041 0.000 0.448 136 S N 3.065 118.831 115.700 0.110 0.000 2.579 136 S HA -0.156 4.588 4.470 0.109 -0.208 0.275 136 S C -0.627 174.024 174.600 0.085 0.000 1.345 136 S CA 0.716 58.973 58.200 0.095 0.000 1.031 136 S CB 1.256 64.493 63.200 0.062 0.000 0.892 136 S HN 0.184 8.543 8.310 0.081 0.000 0.529 137 Q N 1.817 121.656 119.800 0.064 0.000 2.306 137 Q HA 0.319 4.671 4.340 0.021 0.000 0.269 137 Q C -1.142 174.869 176.000 0.018 0.000 1.053 137 Q CA -1.876 53.944 55.803 0.029 0.000 0.879 137 Q CB 2.634 31.378 28.738 0.010 0.000 1.344 137 Q HN 0.118 8.748 8.270 0.069 -0.318 0.464 138 T N -2.804 111.748 114.554 -0.003 0.000 2.889 138 T HA 0.084 4.441 4.350 0.013 0.000 0.291 138 T C 0.649 175.343 174.700 -0.011 0.000 0.995 138 T CA -1.367 60.729 62.100 -0.007 0.000 1.092 138 T CB 0.881 69.729 68.868 -0.034 0.000 0.954 138 T HN -0.091 8.141 8.240 -0.014 0.000 0.506 139 T N -0.073 114.489 114.554 0.014 0.000 2.795 139 T HA -0.088 4.270 4.350 0.013 0.000 0.314 139 T C 1.000 175.702 174.700 0.003 0.000 1.069 139 T CA -0.289 61.827 62.100 0.028 0.000 1.071 139 T CB 1.623 70.542 68.868 0.085 0.000 0.988 139 T HN -0.119 8.140 8.240 0.032 0.000 0.543 140 F N 3.518 123.393 119.950 -0.125 0.000 2.087 140 F HA -0.375 4.243 4.527 -0.165 -0.190 0.299 140 F C 0.609 176.366 175.800 -0.072 0.000 1.100 140 F CA 3.672 61.574 58.000 -0.164 0.000 1.226 140 F CB 0.206 39.029 39.000 -0.295 0.000 0.983 140 F HN 0.704 9.065 8.300 0.102 0.000 0.479 141 F N -1.273 118.585 119.950 -0.154 0.000 2.102 141 F HA -0.458 3.952 4.527 -0.195 0.000 0.298 141 F C 1.068 176.807 175.800 -0.102 0.000 1.105 141 F CA 2.686 60.626 58.000 -0.100 0.000 1.239 141 F CB 0.071 39.141 39.000 0.118 0.000 0.991 141 F HN -0.188 8.260 8.300 0.259 0.008 0.474 142 D N -2.117 118.144 120.400 -0.232 0.000 2.178 142 D HA -0.274 4.090 4.640 -0.459 0.000 0.201 142 D C 2.854 178.990 176.300 -0.274 0.000 0.980 142 D CA 3.225 57.052 54.000 -0.289 0.000 0.842 142 D CB -0.353 40.395 40.800 -0.087 0.000 0.948 142 D HN -0.418 7.942 8.370 -0.015 0.000 0.472 143 T N 0.843 115.239 114.554 -0.263 0.000 2.746 143 T HA -0.253 3.991 4.350 -0.176 0.000 0.267 143 T C 1.470 175.994 174.700 -0.293 0.000 1.039 143 T CA 3.750 65.702 62.100 -0.246 0.000 1.142 143 T CB 0.369 69.093 68.868 -0.240 0.000 0.866 143 T HN -0.012 8.066 8.240 -0.247 0.013 0.444 144 V N -4.904 114.746 119.914 -0.440 0.000 3.506 144 V HA 0.232 4.191 4.120 -0.268 0.000 0.263 144 V C 0.625 176.562 176.094 -0.261 0.000 1.203 144 V CA 0.775 62.855 62.300 -0.368 0.000 1.133 144 V CB -0.136 31.370 31.823 -0.528 0.000 0.802 144 V HN -0.568 7.291 8.190 -0.551 0.000 0.459 145 K N 0.829 121.012 120.400 -0.363 0.000 2.097 145 K HA -0.274 3.904 4.320 -0.237 0.000 0.206 145 K C 2.172 178.691 176.600 -0.136 0.000 1.049 145 K CA 3.348 59.428 56.287 -0.344 0.000 0.933 145 K CB -0.862 31.208 32.500 -0.717 0.000 0.717 145 K HN -0.462 7.530 8.250 -0.431 0.000 0.442 146 S N -2.777 112.851 115.700 -0.120 0.000 2.515 146 S HA -0.152 4.298 4.470 -0.033 0.000 0.231 146 S C 1.127 175.713 174.600 -0.023 0.000 0.987 146 S CA 1.656 59.825 58.200 -0.051 0.000 0.936 146 S CB -0.675 62.495 63.200 -0.050 0.000 0.766 146 S HN 0.176 8.395 8.310 -0.151 0.000 0.528 147 S N 1.115 116.798 115.700 -0.029 0.000 2.501 147 S HA 0.049 4.523 4.470 0.007 0.000 0.220 147 S C -0.642 173.979 174.600 0.036 0.000 0.997 147 S CA 1.143 59.344 58.200 0.001 0.000 0.919 147 S CB 0.814 64.009 63.200 -0.009 0.000 0.778 147 S HN -0.404 7.822 8.310 -0.058 0.049 0.523 148 L N 0.142 121.398 121.223 0.055 0.000 2.464 148 L HA -0.097 4.655 4.340 0.134 -0.332 0.264 148 L C 0.780 177.722 176.870 0.120 0.000 1.199 148 L CA 0.152 55.067 54.840 0.125 0.000 0.818 148 L CB 0.526 42.708 42.059 0.204 0.000 1.102 148 L HN -0.879 7.220 8.230 0.030 0.148 0.473 149 A N 2.984 125.890 122.820 0.144 0.000 1.883 149 A HA -0.217 4.161 4.320 0.096 0.000 0.217 149 A C 0.139 177.803 177.584 0.133 0.000 1.186 149 A CA 1.935 54.048 52.037 0.126 0.000 0.624 149 A CB 0.425 19.505 19.000 0.134 0.000 0.822 149 A HN 0.433 8.683 8.150 0.167 0.000 0.444 150 Q N -5.009 114.898 119.800 0.178 0.000 2.372 150 Q HA 0.436 4.856 4.340 0.134 0.000 0.273 150 Q C -2.554 173.578 176.000 0.220 0.000 1.078 150 Q CA -3.803 52.101 55.803 0.168 0.000 0.806 150 Q CB 2.698 31.534 28.738 0.164 0.000 1.332 150 Q HN -0.706 7.694 8.270 0.216 0.000 0.435 151 P HA 0.148 4.726 4.420 0.264 0.000 0.225 151 P C -2.158 175.439 177.300 0.495 0.000 1.813 151 P CA -0.327 62.936 63.100 0.272 0.000 1.013 151 P CB -1.670 30.115 31.700 0.141 0.000 1.961 152 L N -3.488 118.061 121.223 0.545 0.000 2.568 152 L HA 0.859 5.497 4.340 0.300 -0.118 0.257 152 L C -2.574 174.414 176.870 0.197 0.000 1.024 152 L CA -0.824 54.193 54.840 0.294 0.000 0.854 152 L CB 3.816 45.924 42.059 0.082 0.000 1.460 152 L HN -0.320 8.177 8.230 0.528 0.050 0.409 153 F N -4.771 114.981 119.950 -0.329 0.000 2.629 153 F HA 1.072 5.507 4.527 -0.392 -0.143 0.316 153 F C -2.229 173.288 175.800 -0.472 0.000 1.081 153 F CA -2.757 54.929 58.000 -0.523 0.000 0.954 153 F CB 3.742 42.150 39.000 -0.987 0.000 1.337 153 F HN 0.142 7.979 8.300 -0.772 0.000 0.474 154 A N -2.512 120.087 122.820 -0.368 0.000 2.539 154 A HA 0.905 5.045 4.320 -0.562 -0.157 0.296 154 A C -2.767 174.510 177.584 -0.512 0.000 1.073 154 A CA -1.580 50.122 52.037 -0.559 0.000 0.700 154 A CB 4.123 22.680 19.000 -0.739 0.000 1.296 154 A HN 0.585 8.556 8.150 -0.298 0.000 0.405 155 V N 0.676 120.200 119.914 -0.650 0.000 2.638 155 V HA 0.728 4.610 4.120 -0.669 -0.164 0.306 155 V C -2.754 173.077 176.094 -0.439 0.000 1.052 155 V CA -2.610 59.343 62.300 -0.579 0.000 0.885 155 V CB 4.615 36.051 31.823 -0.644 0.000 0.999 155 V HN 0.199 7.907 8.190 -0.804 0.000 0.424 156 A N 8.619 131.274 122.820 -0.275 0.000 2.323 156 A HA 0.546 4.828 4.320 -0.064 0.000 0.305 156 A C -1.858 175.594 177.584 -0.219 0.000 1.275 156 A CA -1.808 50.170 52.037 -0.098 0.000 0.804 156 A CB 1.898 20.943 19.000 0.076 0.000 1.152 156 A HN 0.476 8.422 8.150 -0.339 0.000 0.487 157 L N 4.038 125.106 121.223 -0.257 0.000 2.307 157 L HA 0.218 4.338 4.340 -0.367 0.000 0.282 157 L C -0.493 176.336 176.870 -0.067 0.000 1.051 157 L CA -0.716 53.921 54.840 -0.339 0.000 0.804 157 L CB 0.961 42.632 42.059 -0.648 0.000 1.197 157 L HN 0.422 8.515 8.230 -0.229 0.000 0.431 158 K N 0.205 120.674 120.400 0.116 0.000 2.400 158 K HA 0.364 4.765 4.320 0.136 0.000 0.246 158 K C -1.566 175.211 176.600 0.295 0.000 0.995 158 K CA -2.154 54.236 56.287 0.173 0.000 0.840 158 K CB 4.013 36.581 32.500 0.113 0.000 1.293 158 K HN 0.418 8.794 8.250 0.210 0.000 0.445 159 H N 2.848 121.995 119.070 0.128 0.000 2.782 159 H HA 0.028 4.876 4.556 0.128 -0.215 0.285 159 H C 0.147 175.507 175.328 0.053 0.000 1.093 159 H CA 0.100 56.209 56.048 0.101 0.000 1.410 159 H CB -0.964 28.842 29.762 0.073 0.000 1.439 159 H HN 0.275 8.717 8.280 0.271 0.000 0.469 160 Q N 1.921 121.532 119.800 -0.314 0.000 2.453 160 Q HA -0.481 3.703 4.340 -0.261 0.000 0.294 160 Q C -1.574 174.335 176.000 -0.152 0.000 1.295 160 Q CA 1.606 57.212 55.803 -0.329 0.000 0.853 160 Q CB -2.174 26.238 28.738 -0.543 0.000 1.193 160 Q HN 0.338 8.759 8.270 -0.190 -0.265 0.461 161 Q N -4.020 115.750 119.800 -0.051 0.000 2.435 161 Q HA 0.323 4.644 4.340 -0.031 0.000 0.282 161 Q C -2.836 173.182 176.000 0.030 0.000 1.020 161 Q CA -3.271 52.525 55.803 -0.012 0.000 0.820 161 Q CB 3.078 31.821 28.738 0.008 0.000 1.436 161 Q HN -0.596 7.642 8.270 -0.016 0.022 0.395 162 P HA 0.111 4.696 4.420 0.053 -0.133 0.271 162 P C -1.183 176.145 177.300 0.046 0.000 1.218 162 P CA -0.632 62.491 63.100 0.038 0.000 0.780 162 P CB 0.889 32.598 31.700 0.016 0.000 0.901 163 G N -1.994 106.836 108.800 0.051 0.000 3.176 163 G HA2 0.818 4.783 3.960 0.010 0.000 0.272 163 G HA3 0.818 4.987 3.960 -0.015 -0.218 0.272 163 G C -1.984 172.907 174.900 -0.015 0.000 1.349 163 G CA -1.064 44.041 45.100 0.007 0.000 0.953 163 G HN -0.098 8.335 8.290 0.067 -0.103 0.559 164 V N -5.010 114.859 119.914 -0.075 0.000 3.007 164 V HA 0.862 5.153 4.120 0.016 -0.161 0.311 164 V C -2.286 173.671 176.094 -0.229 0.000 1.120 164 V CA -3.448 58.825 62.300 -0.046 0.000 0.980 164 V CB 3.401 35.248 31.823 0.041 0.000 1.033 164 V HN -0.156 7.967 8.190 -0.111 0.000 0.429 165 Y N 0.982 121.266 120.300 -0.027 0.000 2.356 165 Y HA 0.504 5.145 4.550 -0.163 -0.189 0.334 165 Y C -0.893 174.979 175.900 -0.047 0.000 0.958 165 Y CA -1.704 56.339 58.100 -0.096 0.000 1.196 165 Y CB 1.907 40.349 38.460 -0.031 0.000 1.137 165 Y HN 0.633 9.033 8.280 0.200 0.000 0.485 166 D N 3.882 124.246 120.400 -0.061 0.000 2.280 166 D HA 0.313 5.198 4.640 0.201 -0.125 0.243 166 D C -1.143 175.100 176.300 -0.096 0.000 1.129 166 D CA -0.055 53.918 54.000 -0.045 0.000 0.848 166 D CB 1.189 41.739 40.800 -0.416 0.000 1.107 166 D HN 0.299 8.577 8.370 -0.154 0.000 0.471 167 F N 2.909 123.064 119.950 0.342 0.000 2.411 167 F HA -0.020 4.732 4.527 0.375 0.000 0.352 167 F C 0.649 176.713 175.800 0.441 0.000 1.123 167 F CA -0.436 57.795 58.000 0.384 0.000 1.044 167 F CB 1.428 40.663 39.000 0.391 0.000 1.135 167 F HN 0.423 9.096 8.300 0.621 0.000 0.461 168 G N 2.785 111.892 108.800 0.512 0.000 2.176 168 G HA2 -0.458 3.995 3.960 0.405 0.000 0.253 168 G HA3 -0.458 3.771 3.960 0.448 0.000 0.253 168 G C -2.222 172.954 174.900 0.460 0.000 0.979 168 G CA 0.683 46.054 45.100 0.452 0.000 0.641 168 G HN 0.453 9.011 8.290 0.446 0.000 0.530 169 F N -4.894 115.164 119.950 0.181 0.000 2.713 169 F HA 0.667 5.276 4.527 0.136 0.000 0.311 169 F C -2.634 173.258 175.800 0.154 0.000 1.141 169 F CA -2.789 55.299 58.000 0.148 0.000 0.939 169 F CB 2.282 41.362 39.000 0.133 0.000 1.325 169 F HN -1.085 7.347 8.300 0.319 0.059 0.453 170 I N 0.738 121.270 120.570 -0.064 0.000 2.354 170 I HA 0.141 4.233 4.170 -0.130 0.000 0.292 170 I C -0.939 175.140 176.117 -0.063 0.000 0.989 170 I CA -0.734 60.524 61.300 -0.071 0.000 1.188 170 I CB 1.764 39.847 38.000 0.138 0.000 1.342 170 I HN 0.482 8.798 8.210 0.177 0.000 0.457 171 D N 7.463 127.770 120.400 -0.156 0.000 2.456 171 D HA 0.192 4.872 4.640 0.067 0.000 0.219 171 D C 0.317 176.458 176.300 -0.266 0.000 1.126 171 D CA -1.520 52.422 54.000 -0.098 0.000 0.890 171 D CB -0.035 40.709 40.800 -0.094 0.000 1.025 171 D HN -0.114 8.189 8.370 -0.111 0.000 0.511 172 S N 5.492 121.052 115.700 -0.233 0.000 2.507 172 S HA -0.229 3.700 4.470 -0.901 0.000 0.235 172 S C 1.178 175.308 174.600 -0.785 0.000 0.988 172 S CA 2.267 60.106 58.200 -0.602 0.000 0.944 172 S CB 0.078 63.078 63.200 -0.334 0.000 0.762 172 S HN 0.527 8.778 8.310 -0.099 0.000 0.526 173 S N 0.236 115.671 115.700 -0.443 0.000 2.561 173 S HA -0.067 4.190 4.470 -0.356 0.000 0.225 173 S C 0.558 174.927 174.600 -0.385 0.000 0.977 173 S CA 2.220 60.210 58.200 -0.350 0.000 0.926 173 S CB -0.370 62.718 63.200 -0.187 0.000 0.769 173 S HN -0.396 7.890 8.310 -0.315 -0.165 0.533 174 K N -0.832 119.250 120.400 -0.530 0.000 2.444 174 K HA 0.162 4.440 4.320 -0.280 -0.127 0.193 174 K C -1.344 175.076 176.600 -0.301 0.000 1.024 174 K CA -0.095 55.924 56.287 -0.448 0.000 1.077 174 K CB 0.422 32.499 32.500 -0.705 0.000 0.833 174 K HN -0.572 7.223 8.250 -0.649 0.065 0.517 175 Y N -5.579 114.522 120.300 -0.332 0.000 2.625 175 Y HA 0.697 5.448 4.550 -0.146 -0.289 0.338 175 Y C -1.163 174.658 175.900 -0.131 0.000 1.123 175 Y CA -2.535 55.445 58.100 -0.200 0.000 1.046 175 Y CB 1.976 40.321 38.460 -0.191 0.000 1.299 175 Y HN -0.850 6.915 8.280 -0.747 0.067 0.464 176 T N 4.612 119.222 114.554 0.093 0.000 2.845 176 T HA 0.203 4.532 4.350 -0.035 0.000 0.288 176 T C 0.181 174.960 174.700 0.132 0.000 0.980 176 T CA 0.460 62.586 62.100 0.045 0.000 1.071 176 T CB 1.134 70.030 68.868 0.047 0.000 0.941 176 T HN 0.074 8.405 8.240 0.151 0.000 0.487 177 G N 4.711 113.552 108.800 0.069 0.000 2.598 177 G HA2 -0.283 3.709 3.960 0.054 0.000 0.244 177 G HA3 -0.283 3.729 3.960 0.087 0.000 0.244 177 G C -1.591 173.415 174.900 0.176 0.000 1.302 177 G CA -0.420 44.734 45.100 0.090 0.000 0.903 177 G HN 0.039 8.335 8.290 0.010 0.000 0.575 178 S N 0.646 116.415 115.700 0.114 0.000 2.608 178 S HA 0.242 4.850 4.470 0.231 0.000 0.291 178 S C 0.137 174.689 174.600 -0.080 0.000 1.146 178 S CA -0.150 58.114 58.200 0.107 0.000 1.043 178 S CB 1.689 64.923 63.200 0.058 0.000 1.037 178 S HN 0.033 8.385 8.310 0.070 0.000 0.520 179 L N 2.590 123.691 121.223 -0.203 0.000 2.461 179 L HA -0.061 4.043 4.340 -0.652 -0.156 0.272 179 L C 0.677 177.324 176.870 -0.372 0.000 1.197 179 L CA 0.422 54.962 54.840 -0.500 0.000 0.836 179 L CB 0.717 42.389 42.059 -0.645 0.000 1.105 179 L HN 0.288 8.472 8.230 -0.077 0.000 0.477 180 T N 4.532 118.775 114.554 -0.520 0.000 2.792 180 T HA 0.292 4.567 4.350 -0.124 0.000 0.280 180 T C -1.492 173.013 174.700 -0.325 0.000 0.990 180 T CA -0.648 61.278 62.100 -0.289 0.000 0.960 180 T CB 1.575 70.303 68.868 -0.233 0.000 0.939 180 T HN 0.140 7.977 8.240 -0.671 0.000 0.439 181 Y N 5.426 125.679 120.300 -0.078 0.000 2.376 181 Y HA 0.775 5.489 4.550 -0.089 -0.217 0.325 181 Y C 0.280 176.183 175.900 0.006 0.000 1.199 181 Y CA -0.668 57.397 58.100 -0.059 0.000 1.206 181 Y CB 2.399 40.816 38.460 -0.072 0.000 1.229 181 Y HN 0.355 8.738 8.280 0.172 0.000 0.480 182 T N 1.156 115.821 114.554 0.185 0.000 2.900 182 T HA 0.342 4.775 4.350 0.138 0.000 0.303 182 T C -1.468 173.330 174.700 0.162 0.000 1.142 182 T CA -1.911 60.282 62.100 0.155 0.000 1.007 182 T CB 2.157 71.114 68.868 0.150 0.000 1.156 182 T HN 0.392 8.740 8.240 0.180 0.000 0.490 183 G N 2.919 111.804 108.800 0.142 0.000 2.442 183 G HA2 0.258 4.294 3.960 0.127 0.000 0.249 183 G HA3 0.258 4.280 3.960 0.104 0.000 0.249 183 G C -1.825 173.179 174.900 0.173 0.000 1.263 183 G CA -0.308 44.871 45.100 0.132 0.000 0.846 183 G HN 0.423 8.790 8.290 0.128 0.000 0.555 184 V N 2.274 122.289 119.914 0.168 0.000 2.483 184 V HA 0.510 4.990 4.120 0.252 -0.208 0.295 184 V C -0.633 175.495 176.094 0.057 0.000 1.035 184 V CA -1.524 60.890 62.300 0.191 0.000 0.896 184 V CB 1.752 33.748 31.823 0.287 0.000 0.986 184 V HN -0.438 7.840 8.190 0.147 0.000 0.447 185 D N 6.835 127.261 120.400 0.044 0.000 2.412 185 D HA 0.142 4.733 4.640 -0.081 0.000 0.224 185 D C -0.478 175.730 176.300 -0.153 0.000 1.093 185 D CA -1.582 52.388 54.000 -0.051 0.000 0.850 185 D CB 0.786 41.578 40.800 -0.013 0.000 1.046 185 D HN 0.046 8.482 8.370 0.111 0.000 0.507 186 N N 6.280 124.764 118.700 -0.360 0.000 2.268 186 N HA 0.096 4.662 4.740 -0.589 -0.179 0.204 186 N C 1.302 176.553 175.510 -0.432 0.000 1.124 186 N CA -0.635 52.012 53.050 -0.671 0.000 0.838 186 N CB -0.137 37.418 38.487 -1.554 0.000 0.994 186 N HN 0.329 8.507 8.380 -0.336 0.000 0.489 187 S N 1.178 116.727 115.700 -0.251 0.000 2.474 187 S HA -0.162 4.190 4.470 -0.197 0.000 0.235 187 S C 0.680 175.175 174.600 -0.176 0.000 0.997 187 S CA 2.961 61.050 58.200 -0.186 0.000 0.949 187 S CB -0.343 62.783 63.200 -0.122 0.000 0.766 187 S HN -0.137 8.253 8.310 -0.206 -0.205 0.517 188 Q N -0.797 118.885 119.800 -0.197 0.000 2.172 188 Q HA 0.160 4.365 4.340 -0.226 0.000 0.217 188 Q C -0.165 175.515 176.000 -0.534 0.000 0.832 188 Q CA -0.703 54.939 55.803 -0.268 0.000 1.010 188 Q CB -0.028 28.620 28.738 -0.150 0.000 1.133 188 Q HN -0.526 7.598 8.270 -0.180 0.038 0.489 189 G N -0.923 107.652 108.800 -0.374 0.000 2.179 189 G HA2 -0.452 3.424 3.960 -0.140 0.000 0.260 189 G HA3 -0.452 3.324 3.960 -0.307 0.000 0.260 189 G C -1.461 173.405 174.900 -0.057 0.000 0.977 189 G CA 0.889 45.832 45.100 -0.261 0.000 0.641 189 G HN -0.134 7.781 8.290 -0.322 0.183 0.533 190 F N -2.232 117.810 119.950 0.153 0.000 2.450 190 F HA 0.250 4.995 4.527 0.364 0.000 0.328 190 F C 0.806 176.788 175.800 0.303 0.000 1.068 190 F CA -2.254 55.913 58.000 0.279 0.000 1.007 190 F CB 1.859 40.998 39.000 0.232 0.000 1.251 190 F HN -0.846 7.316 8.300 -0.117 0.067 0.492 191 W N 2.228 123.962 121.300 0.723 0.000 1.606 191 W HA 0.006 5.059 4.660 0.656 0.000 0.455 191 W C -0.921 175.896 176.519 0.498 0.000 0.711 191 W CA -0.895 56.813 57.345 0.605 0.000 1.876 191 W CB -1.381 28.419 29.460 0.566 0.000 1.776 191 W HN 0.682 9.454 8.180 0.986 0.000 0.229 192 S N 2.118 118.123 115.700 0.509 0.000 2.525 192 S HA 0.801 5.680 4.470 0.346 -0.201 0.278 192 S C -0.810 174.013 174.600 0.372 0.000 1.234 192 S CA -0.969 57.439 58.200 0.348 0.000 1.058 192 S CB 1.510 64.810 63.200 0.166 0.000 0.983 192 S HN -0.466 8.042 8.310 0.411 0.048 0.495 193 F N 2.783 122.820 119.950 0.146 0.000 2.650 193 F HA 0.656 5.234 4.527 0.086 0.000 0.320 193 F C -2.490 173.331 175.800 0.036 0.000 1.091 193 F CA -2.455 55.595 58.000 0.084 0.000 0.962 193 F CB 2.174 41.226 39.000 0.085 0.000 1.363 193 F HN 0.590 8.871 8.300 -0.031 0.000 0.482 194 N N -0.692 118.065 118.700 0.094 0.000 2.405 194 N HA 0.478 5.253 4.740 -0.143 -0.120 0.299 194 N C -1.112 174.363 175.510 -0.058 0.000 1.075 194 N CA -0.428 52.592 53.050 -0.049 0.000 0.884 194 N CB 2.975 41.467 38.487 0.007 0.000 1.194 194 N HN 0.395 8.919 8.380 0.239 0.000 0.491 195 V N -2.547 117.220 119.914 -0.243 0.000 2.628 195 V HA 0.540 4.680 4.120 -0.143 -0.107 0.306 195 V C -0.986 174.976 176.094 -0.220 0.000 1.045 195 V CA -2.509 59.629 62.300 -0.269 0.000 0.905 195 V CB 2.697 34.271 31.823 -0.416 0.000 0.997 195 V HN 0.387 8.386 8.190 -0.318 0.000 0.436 196 D N 4.221 124.540 120.400 -0.135 0.000 2.333 196 D HA 0.176 4.778 4.640 -0.064 0.000 0.208 196 D C -0.437 175.820 176.300 -0.072 0.000 0.984 196 D CA 2.272 56.223 54.000 -0.081 0.000 0.873 196 D CB 1.436 42.204 40.800 -0.054 0.000 0.935 196 D HN 0.382 8.677 8.370 -0.125 0.000 0.521 197 S N -5.542 110.102 115.700 -0.093 0.000 2.627 197 S HA 0.225 4.854 4.470 -0.011 -0.165 0.268 197 S C -2.428 172.159 174.600 -0.023 0.000 1.130 197 S CA -0.565 57.596 58.200 -0.066 0.000 0.819 197 S CB 1.607 64.740 63.200 -0.112 0.000 1.100 197 S HN -0.938 7.295 8.310 -0.128 0.000 0.465 198 Y N -3.688 116.591 120.300 -0.035 0.000 2.581 198 Y HA 0.795 5.352 4.550 -0.204 -0.129 0.345 198 Y C -2.131 173.689 175.900 -0.134 0.000 1.036 198 Y CA -2.051 55.988 58.100 -0.100 0.000 1.042 198 Y CB 3.057 41.582 38.460 0.109 0.000 1.289 198 Y HN 0.120 8.228 8.280 -0.287 0.000 0.471 199 T N 3.634 118.067 114.554 -0.201 0.000 2.864 199 T HA 0.360 4.731 4.350 -0.181 -0.130 0.299 199 T C -2.055 172.624 174.700 -0.035 0.000 1.011 199 T CA -0.425 61.581 62.100 -0.157 0.000 0.975 199 T CB 1.690 70.461 68.868 -0.162 0.000 0.962 199 T HN 0.530 8.595 8.240 -0.292 0.000 0.448 200 A N 7.480 130.449 122.820 0.249 0.000 2.540 200 A HA 0.526 5.200 4.320 0.589 0.000 0.340 200 A C -0.150 177.576 177.584 0.236 0.000 1.424 200 A CA -1.722 50.592 52.037 0.462 0.000 0.940 200 A CB 0.249 19.622 19.000 0.622 0.000 1.149 200 A HN 0.587 8.878 8.150 0.235 0.000 0.505 201 G N 6.075 114.977 108.800 0.170 0.000 2.602 201 G HA2 -0.492 3.487 3.960 0.033 0.000 0.310 201 G HA3 -0.492 3.633 3.960 -0.024 -0.180 0.310 201 G C 0.189 175.089 174.900 -0.000 0.000 1.183 201 G CA 1.225 46.346 45.100 0.035 0.000 0.979 201 G HN 0.362 8.784 8.290 0.220 0.000 0.545 202 S N 4.788 120.473 115.700 -0.026 0.000 2.593 202 S HA 0.047 4.498 4.470 -0.032 0.000 0.217 202 S C -0.442 174.144 174.600 -0.024 0.000 0.966 202 S CA 0.762 58.944 58.200 -0.030 0.000 0.914 202 S CB 0.384 63.560 63.200 -0.041 0.000 0.776 202 S HN -0.230 8.390 8.310 -0.044 -0.336 0.523 203 Q N 0.428 120.226 119.800 -0.003 0.000 2.375 203 Q HA 0.341 4.665 4.340 -0.026 0.000 0.271 203 Q C -1.672 174.302 176.000 -0.043 0.000 1.074 203 Q CA -0.865 54.936 55.803 -0.004 0.000 0.808 203 Q CB 4.161 32.927 28.738 0.046 0.000 1.327 203 Q HN -0.589 7.614 8.270 0.017 0.078 0.441 204 S N 0.629 116.240 115.700 -0.148 0.000 2.634 204 S HA 0.795 5.079 4.470 -0.496 -0.112 0.296 204 S C -1.062 173.216 174.600 -0.536 0.000 1.104 204 S CA -1.329 56.642 58.200 -0.381 0.000 0.920 204 S CB 2.998 66.027 63.200 -0.285 0.000 1.111 204 S HN 0.291 8.531 8.310 -0.116 0.000 0.493 205 G N -0.101 108.083 108.800 -1.027 0.000 2.606 205 G HA2 0.229 4.025 3.960 -0.274 0.000 0.300 205 G HA3 0.229 3.924 3.960 -0.441 0.000 0.300 205 G C -2.575 172.135 174.900 -0.318 0.000 1.360 205 G CA -0.405 44.351 45.100 -0.573 0.000 0.783 205 G HN 0.074 7.560 8.290 -1.341 0.000 0.484 206 D N 0.096 120.539 120.400 0.072 0.000 2.357 206 D HA -0.130 4.543 4.640 0.054 0.000 0.242 206 D C 0.517 177.018 176.300 0.334 0.000 1.153 206 D CA 0.573 54.660 54.000 0.144 0.000 0.918 206 D CB 0.662 41.546 40.800 0.140 0.000 1.181 206 D HN -0.044 8.406 8.370 0.134 0.000 0.435 207 G N -1.969 106.941 108.800 0.184 0.000 2.611 207 G HA2 0.176 4.130 3.960 -0.009 0.000 0.273 207 G HA3 0.176 4.286 3.960 -0.029 -0.168 0.273 207 G C -1.854 173.200 174.900 0.256 0.000 1.305 207 G CA 0.123 45.272 45.100 0.082 0.000 1.010 207 G HN 0.138 8.492 8.290 0.107 0.000 0.509 208 F N -6.227 113.777 119.950 0.091 0.000 2.978 208 F HA 0.289 4.853 4.527 0.061 0.000 0.324 208 F C -2.614 173.206 175.800 0.034 0.000 1.157 208 F CA -1.617 56.422 58.000 0.066 0.000 0.879 208 F CB 0.342 39.379 39.000 0.062 0.000 1.364 208 F HN -0.168 7.946 8.300 -0.310 0.000 0.465 209 S N -0.010 115.858 115.700 0.280 0.000 2.664 209 S HA 0.798 5.364 4.470 -0.075 -0.142 0.304 209 S C -0.452 174.296 174.600 0.247 0.000 1.099 209 S CA -1.352 56.908 58.200 0.101 0.000 1.003 209 S CB 3.113 66.353 63.200 0.066 0.000 1.092 209 S HN 0.267 8.799 8.310 0.370 0.000 0.525 210 G N -1.923 106.872 108.800 -0.009 0.000 2.600 210 G HA2 0.790 5.043 3.960 0.380 0.000 0.293 210 G HA3 0.790 5.025 3.960 0.414 -0.026 0.293 210 G C -3.378 171.562 174.900 0.066 0.000 1.408 210 G CA 0.372 45.603 45.100 0.219 0.000 0.782 210 G HN 0.262 8.369 8.290 -0.306 0.000 0.482 211 I N -6.009 114.771 120.570 0.350 0.000 2.530 211 I HA 0.881 5.503 4.170 0.451 -0.181 0.297 211 I C -2.078 174.396 176.117 0.594 0.000 1.011 211 I CA -3.003 58.546 61.300 0.415 0.000 1.107 211 I CB 3.670 41.800 38.000 0.216 0.000 1.285 211 I HN 0.065 8.523 8.210 0.414 0.000 0.436 212 A N 3.656 126.895 122.820 0.698 0.000 2.350 212 A HA 0.113 4.946 4.320 0.647 -0.124 0.293 212 A C -1.498 176.441 177.584 0.592 0.000 1.231 212 A CA -0.754 51.662 52.037 0.632 0.000 0.883 212 A CB 0.724 19.973 19.000 0.415 0.000 1.133 212 A HN 0.236 8.834 8.150 0.747 0.000 0.533 213 D N 5.695 126.382 120.400 0.479 0.000 2.346 213 D HA 0.411 5.294 4.640 0.404 0.000 0.255 213 D C 1.132 177.620 176.300 0.314 0.000 1.276 213 D CA -1.021 53.206 54.000 0.377 0.000 0.941 213 D CB 1.818 42.794 40.800 0.294 0.000 1.199 213 D HN -0.226 8.433 8.370 0.481 0.000 0.537 214 T N 1.222 115.950 114.554 0.291 0.000 2.929 214 T HA -0.016 4.582 4.350 0.216 -0.119 0.271 214 T C 1.264 176.105 174.700 0.235 0.000 1.085 214 T CA 2.163 64.404 62.100 0.236 0.000 1.125 214 T CB 0.185 69.194 68.868 0.235 0.000 0.874 214 T HN 0.058 8.478 8.240 0.301 0.000 0.494 215 G N 0.258 109.196 108.800 0.230 0.000 2.920 215 G HA2 0.108 4.187 3.960 0.198 0.000 0.208 215 G HA3 0.108 4.335 3.960 0.190 -0.152 0.208 215 G C -0.549 174.454 174.900 0.172 0.000 1.159 215 G CA -0.294 44.925 45.100 0.198 0.000 0.784 215 G HN -0.659 7.974 8.290 0.244 -0.197 0.535 216 T N 3.438 118.098 114.554 0.177 0.000 2.797 216 T HA 0.257 4.672 4.350 0.108 0.000 0.279 216 T C 0.024 174.809 174.700 0.141 0.000 0.991 216 T CA -1.258 60.920 62.100 0.130 0.000 0.979 216 T CB 1.974 70.903 68.868 0.102 0.000 0.943 216 T HN -0.761 7.539 8.240 0.199 0.059 0.444 217 T N 6.511 121.125 114.554 0.101 0.000 2.737 217 T HA -0.258 4.380 4.350 0.206 -0.164 0.265 217 T C -0.014 174.738 174.700 0.086 0.000 1.038 217 T CA 4.476 66.646 62.100 0.116 0.000 1.144 217 T CB 0.220 69.099 68.868 0.018 0.000 0.866 217 T HN 0.480 8.760 8.240 0.067 0.000 0.434 218 L N -3.200 118.023 121.223 -0.001 0.000 2.376 218 L HA 0.054 4.391 4.340 -0.004 0.000 0.267 218 L C -1.651 175.207 176.870 -0.019 0.000 1.035 218 L CA -1.467 53.352 54.840 -0.035 0.000 0.800 218 L CB 1.918 43.903 42.059 -0.123 0.000 1.290 218 L HN -0.742 7.480 8.230 -0.014 0.000 0.462 219 L N 1.022 122.205 121.223 -0.068 0.000 2.259 219 L HA 0.404 4.816 4.340 -0.144 -0.158 0.288 219 L C -1.960 174.739 176.870 -0.284 0.000 1.051 219 L CA -1.225 53.514 54.840 -0.168 0.000 0.824 219 L CB 0.657 42.612 42.059 -0.173 0.000 1.206 219 L HN -0.075 8.116 8.230 -0.065 0.000 0.429 220 L N 6.888 127.925 121.223 -0.309 0.000 2.287 220 L HA 0.792 5.206 4.340 -0.273 -0.237 0.287 220 L C -1.017 175.599 176.870 -0.423 0.000 1.022 220 L CA -1.172 53.484 54.840 -0.307 0.000 0.814 220 L CB 0.622 42.539 42.059 -0.237 0.000 1.217 220 L HN 0.183 8.231 8.230 -0.304 0.000 0.420 221 L N 1.447 122.414 121.223 -0.428 0.000 2.257 221 L HA 0.566 4.539 4.340 -0.613 0.000 0.257 221 L C -0.535 176.083 176.870 -0.420 0.000 1.033 221 L CA -2.305 52.216 54.840 -0.532 0.000 0.835 221 L CB 3.767 45.453 42.059 -0.620 0.000 1.398 221 L HN 0.332 8.348 8.230 -0.357 0.000 0.429 222 D N -0.449 119.669 120.400 -0.472 0.000 2.400 222 D HA -0.131 4.503 4.640 -0.268 -0.155 0.238 222 D C 0.980 177.146 176.300 -0.223 0.000 1.157 222 D CA 1.121 54.933 54.000 -0.314 0.000 0.889 222 D CB 0.591 41.208 40.800 -0.305 0.000 1.199 222 D HN 0.438 8.436 8.370 -0.619 0.000 0.436 223 D N 2.001 122.320 120.400 -0.135 0.000 2.149 223 D HA -0.361 4.252 4.640 -0.045 0.000 0.198 223 D C 1.668 177.936 176.300 -0.052 0.000 0.990 223 D CA 4.472 58.434 54.000 -0.063 0.000 0.839 223 D CB -0.154 40.630 40.800 -0.027 0.000 0.948 223 D HN 0.624 8.916 8.370 -0.130 0.000 0.460 224 S N -1.044 114.617 115.700 -0.065 0.000 2.382 224 S HA -0.236 4.230 4.470 -0.006 0.000 0.228 224 S C 1.711 176.286 174.600 -0.043 0.000 1.027 224 S CA 3.209 61.391 58.200 -0.031 0.000 0.991 224 S CB -0.560 62.633 63.200 -0.013 0.000 0.823 224 S HN 0.130 8.374 8.310 -0.081 0.017 0.469 225 V N 3.021 122.853 119.914 -0.137 0.000 2.379 225 V HA -0.249 3.817 4.120 -0.091 0.000 0.245 225 V C 1.937 177.951 176.094 -0.134 0.000 1.044 225 V CA 2.843 65.028 62.300 -0.191 0.000 1.036 225 V CB -0.740 30.786 31.823 -0.496 0.000 0.664 225 V HN -0.688 7.390 8.190 -0.186 0.000 0.453 226 V N 0.567 120.390 119.914 -0.151 0.000 2.287 226 V HA -0.560 3.475 4.120 -0.143 0.000 0.248 226 V C 2.157 178.225 176.094 -0.043 0.000 1.053 226 V CA 4.091 66.340 62.300 -0.085 0.000 1.027 226 V CB -1.295 30.525 31.823 -0.005 0.000 0.646 226 V HN -0.035 8.051 8.190 -0.174 0.000 0.447 227 S N -0.375 115.307 115.700 -0.030 0.000 2.368 227 S HA -0.349 4.078 4.470 -0.073 0.000 0.225 227 S C 2.226 176.815 174.600 -0.018 0.000 1.030 227 S CA 4.117 62.301 58.200 -0.026 0.000 0.999 227 S CB -0.339 62.877 63.200 0.026 0.000 0.844 227 S HN -0.097 8.201 8.310 -0.021 0.000 0.459 228 Q N 1.924 121.730 119.800 0.010 0.000 2.084 228 Q HA -0.329 4.026 4.340 0.024 0.000 0.202 228 Q C 2.647 178.645 176.000 -0.004 0.000 0.978 228 Q CA 3.117 58.941 55.803 0.034 0.000 0.844 228 Q CB 0.028 28.834 28.738 0.113 0.000 0.898 228 Q HN -0.618 7.660 8.270 0.012 0.000 0.426 229 Y N 1.983 122.187 120.300 -0.160 0.000 2.114 229 Y HA -0.434 4.013 4.550 -0.172 0.000 0.284 229 Y C 2.089 177.761 175.900 -0.380 0.000 1.143 229 Y CA 3.992 61.915 58.100 -0.294 0.000 1.135 229 Y CB 0.249 38.414 38.460 -0.492 0.000 0.980 229 Y HN -0.192 8.122 8.280 0.056 0.000 0.499 230 Y N -3.580 116.630 120.300 -0.150 0.000 2.509 230 Y HA -0.276 4.120 4.550 -0.256 0.000 0.293 230 Y C 2.690 178.474 175.900 -0.192 0.000 1.133 230 Y CA 2.316 60.269 58.100 -0.245 0.000 1.283 230 Y CB -0.471 37.718 38.460 -0.452 0.000 1.001 230 Y HN -0.172 7.981 8.280 -0.213 0.000 0.555 231 S N 0.114 115.783 115.700 -0.052 0.000 2.440 231 S HA -0.299 4.174 4.470 0.006 0.000 0.238 231 S C 0.965 175.523 174.600 -0.069 0.000 1.010 231 S CA 3.072 61.253 58.200 -0.032 0.000 0.972 231 S CB -0.670 62.517 63.200 -0.021 0.000 0.774 231 S HN -0.305 7.938 8.310 -0.067 0.026 0.501 232 Q N -0.454 119.251 119.800 -0.160 0.000 2.319 232 Q HA 0.080 4.344 4.340 -0.126 0.000 0.202 232 Q C -0.486 175.397 176.000 -0.195 0.000 0.896 232 Q CA -0.070 55.621 55.803 -0.187 0.000 0.942 232 Q CB 0.976 29.554 28.738 -0.268 0.000 1.083 232 Q HN -0.682 7.400 8.270 -0.221 0.056 0.510 233 V N 1.339 121.159 119.914 -0.155 0.000 2.313 233 V HA 0.075 4.099 4.120 -0.161 0.000 0.278 233 V C -0.886 175.213 176.094 0.008 0.000 1.017 233 V CA -1.344 60.889 62.300 -0.112 0.000 0.823 233 V CB 0.760 32.532 31.823 -0.085 0.000 1.010 233 V HN -0.577 7.363 8.190 -0.117 0.180 0.443 234 S N 7.867 123.566 115.700 -0.001 0.000 2.537 234 S HA -0.158 4.330 4.470 0.030 0.000 0.286 234 S C 0.747 175.397 174.600 0.083 0.000 1.299 234 S CA 1.808 60.029 58.200 0.035 0.000 1.067 234 S CB 0.849 64.063 63.200 0.023 0.000 0.864 234 S HN 0.532 8.824 8.310 -0.031 0.000 0.494 235 G N 4.957 113.809 108.800 0.088 0.000 2.179 235 G HA2 -0.304 3.707 3.960 0.084 0.000 0.260 235 G HA3 -0.304 3.718 3.960 0.103 0.000 0.260 235 G C -0.786 174.204 174.900 0.149 0.000 0.977 235 G CA -0.236 44.927 45.100 0.104 0.000 0.641 235 G HN 0.366 8.700 8.290 0.073 0.000 0.533 236 A N 0.771 123.711 122.820 0.199 0.000 2.498 236 A HA 0.158 4.857 4.320 0.295 -0.202 0.239 236 A C -0.874 176.848 177.584 0.229 0.000 1.068 236 A CA 0.531 52.731 52.037 0.272 0.000 0.766 236 A CB 0.766 19.977 19.000 0.352 0.000 1.003 236 A HN -0.626 7.570 8.150 0.179 0.062 0.497 237 Q N 1.670 121.571 119.800 0.168 0.000 2.435 237 Q HA 0.185 4.581 4.340 0.093 0.000 0.282 237 Q C -1.393 174.493 176.000 -0.190 0.000 1.020 237 Q CA -1.324 54.499 55.803 0.035 0.000 0.820 237 Q CB 4.128 32.870 28.738 0.007 0.000 1.436 237 Q HN 0.041 8.399 8.270 0.146 0.000 0.395 238 Q N 1.819 121.351 119.800 -0.447 0.000 2.332 238 Q HA -0.211 3.856 4.340 -0.693 -0.143 0.263 238 Q C -0.652 175.180 176.000 -0.281 0.000 0.979 238 Q CA 0.634 56.102 55.803 -0.557 0.000 0.885 238 Q CB 0.578 28.937 28.738 -0.632 0.000 1.218 238 Q HN 0.382 8.415 8.270 -0.395 0.000 0.405 239 D N 4.805 125.059 120.400 -0.243 0.000 2.476 239 D HA 0.266 4.822 4.640 -0.140 0.000 0.251 239 D C 0.186 176.399 176.300 -0.145 0.000 1.291 239 D CA -1.326 52.578 54.000 -0.160 0.000 0.939 239 D CB 1.651 42.372 40.800 -0.132 0.000 1.221 239 D HN 0.148 8.244 8.370 -0.280 0.106 0.567 240 S N 5.472 121.098 115.700 -0.124 0.000 2.481 240 S HA -0.159 4.241 4.470 -0.116 0.000 0.231 240 S C 1.218 175.771 174.600 -0.078 0.000 0.996 240 S CA 2.635 60.773 58.200 -0.104 0.000 0.942 240 S CB -0.222 62.924 63.200 -0.089 0.000 0.768 240 S HN 0.513 8.751 8.310 -0.119 0.000 0.520 241 N N 2.110 120.767 118.700 -0.071 0.000 2.309 241 N HA -0.123 4.588 4.740 -0.047 0.000 0.182 241 N C 0.316 175.794 175.510 -0.054 0.000 1.018 241 N CA 2.135 55.153 53.050 -0.054 0.000 0.876 241 N CB -0.335 38.124 38.487 -0.047 0.000 0.972 241 N HN -0.194 8.333 8.380 -0.076 -0.193 0.434 242 A N -3.714 119.065 122.820 -0.070 0.000 2.044 242 A HA 0.192 4.486 4.320 -0.044 0.000 0.213 242 A C 0.144 177.683 177.584 -0.074 0.000 1.169 242 A CA 0.347 52.345 52.037 -0.065 0.000 0.724 242 A CB 1.570 20.519 19.000 -0.084 0.000 0.840 242 A HN -0.669 7.439 8.150 -0.083 -0.007 0.463 243 G N -2.971 105.772 108.800 -0.094 0.000 2.148 243 G HA2 -0.139 3.765 3.960 -0.093 0.000 0.157 243 G HA3 -0.139 3.763 3.960 -0.096 0.000 0.157 243 G C -0.753 174.076 174.900 -0.119 0.000 1.012 243 G CA -0.362 44.678 45.100 -0.100 0.000 0.677 243 G HN -0.366 7.863 8.290 -0.101 0.000 0.506 244 G N -2.018 106.690 108.800 -0.153 0.000 2.291 244 G HA2 -0.078 3.737 3.960 -0.243 0.000 0.249 244 G HA3 -0.078 3.976 3.960 -0.130 -0.171 0.249 244 G C -1.858 172.875 174.900 -0.278 0.000 1.340 244 G CA -0.183 44.799 45.100 -0.198 0.000 1.017 244 G HN -0.665 7.530 8.290 -0.159 0.000 0.470 245 Y N 2.030 122.165 120.300 -0.275 0.000 2.620 245 Y HA 0.055 4.600 4.550 -0.321 -0.187 0.330 245 Y C 0.300 175.993 175.900 -0.345 0.000 1.186 245 Y CA 2.373 60.218 58.100 -0.424 0.000 1.467 245 Y CB 0.292 38.121 38.460 -1.052 0.000 1.262 245 Y HN -0.335 8.181 8.280 -0.086 -0.287 0.550 246 V N -2.869 116.943 119.914 -0.169 0.000 3.074 246 V HA 1.149 5.056 4.120 -0.602 -0.148 0.314 246 V C -1.727 174.248 176.094 -0.199 0.000 1.117 246 V CA -3.470 58.620 62.300 -0.350 0.000 1.014 246 V CB 3.900 35.560 31.823 -0.271 0.000 1.057 246 V HN 0.457 8.570 8.190 -0.129 0.000 0.438 247 F N -5.502 114.484 119.950 0.059 0.000 2.773 247 F HA 0.471 5.034 4.527 0.060 0.000 0.314 247 F C -2.466 173.372 175.800 0.063 0.000 1.160 247 F CA -1.651 56.393 58.000 0.073 0.000 0.920 247 F CB 1.288 40.360 39.000 0.120 0.000 1.323 247 F HN 0.240 7.942 8.300 -0.997 0.000 0.457 248 D N -0.233 120.346 120.400 0.299 0.000 2.443 248 D HA 0.068 4.773 4.640 0.108 0.000 0.239 248 D C 0.986 177.453 176.300 0.279 0.000 1.136 248 D CA 0.456 54.571 54.000 0.192 0.000 0.879 248 D CB 1.959 42.851 40.800 0.153 0.000 1.195 248 D HN 0.257 8.823 8.370 0.326 0.000 0.443 249 c N 3.327 122.024 118.600 0.160 0.000 2.419 249 c HA -0.128 4.578 4.570 0.227 0.000 0.283 249 c C 1.314 175.509 174.090 0.175 0.000 1.373 249 c CA 0.673 57.107 56.329 0.175 0.000 1.781 249 c CB -1.314 41.251 42.510 0.090 0.000 1.886 249 c HN 0.871 9.162 8.230 0.103 0.000 0.520 250 S N -2.939 112.843 115.700 0.136 0.000 2.603 250 S HA -0.012 4.511 4.470 0.090 0.000 0.220 250 S C 0.360 175.015 174.600 0.092 0.000 0.967 250 S CA 0.923 59.183 58.200 0.099 0.000 0.920 250 S CB 0.134 63.376 63.200 0.070 0.000 0.773 250 S HN -0.130 8.572 8.310 0.129 -0.314 0.529 251 T N 5.583 120.213 114.554 0.126 0.000 2.934 251 T HA -0.153 4.220 4.350 0.037 0.000 0.306 251 T C -0.862 173.834 174.700 -0.007 0.000 1.042 251 T CA 2.741 64.870 62.100 0.048 0.000 1.145 251 T CB 0.324 69.196 68.868 0.006 0.000 0.982 251 T HN -0.679 7.604 8.240 0.196 0.074 0.544 252 N N 6.905 125.586 118.700 -0.031 0.000 2.448 252 N HA -0.068 4.660 4.740 -0.021 0.000 0.250 252 N C -0.540 174.917 175.510 -0.089 0.000 1.136 252 N CA 0.188 53.213 53.050 -0.041 0.000 0.953 252 N CB -0.031 38.440 38.487 -0.028 0.000 1.251 252 N HN 0.296 8.662 8.380 -0.024 0.000 0.502 253 L N 5.061 126.225 121.223 -0.099 0.000 2.371 253 L HA 0.301 4.502 4.340 -0.231 0.000 0.272 253 L C -0.906 175.929 176.870 -0.060 0.000 1.124 253 L CA -2.353 52.406 54.840 -0.135 0.000 0.816 253 L CB -0.157 41.851 42.059 -0.085 0.000 1.129 253 L HN 0.165 8.357 8.230 -0.064 0.000 0.448 254 P HA 0.037 4.439 4.420 -0.030 0.000 0.272 254 P C -1.332 176.066 177.300 0.164 0.000 1.230 254 P CA -0.755 62.327 63.100 -0.029 0.000 0.788 254 P CB 0.407 32.003 31.700 -0.173 0.000 0.949 255 D N -0.970 119.513 120.400 0.138 0.000 2.360 255 D HA 0.100 4.950 4.640 0.183 -0.101 0.242 255 D C -0.959 175.520 176.300 0.298 0.000 1.184 255 D CA 0.744 54.849 54.000 0.176 0.000 0.930 255 D CB 1.096 41.946 40.800 0.083 0.000 1.161 255 D HN -0.042 8.375 8.370 0.079 0.000 0.447 256 F N 0.440 120.460 119.950 0.118 0.000 2.547 256 F HA 0.764 5.573 4.527 0.156 -0.189 0.316 256 F C -2.310 173.567 175.800 0.129 0.000 1.121 256 F CA -1.618 56.453 58.000 0.118 0.000 0.911 256 F CB 4.076 43.077 39.000 0.001 0.000 1.179 256 F HN -0.095 8.378 8.300 0.288 0.000 0.443 257 S N 5.635 120.950 115.700 -0.640 0.000 2.595 257 S HA 1.016 5.599 4.470 -0.137 -0.195 0.281 257 S C -1.536 172.793 174.600 -0.451 0.000 1.117 257 S CA -2.138 55.849 58.200 -0.355 0.000 0.873 257 S CB 3.863 66.942 63.200 -0.202 0.000 1.108 257 S HN 0.661 8.452 8.310 -0.866 0.000 0.477 258 V N -4.547 115.270 119.914 -0.161 0.000 2.962 258 V HA 0.780 4.970 4.120 -0.114 -0.139 0.313 258 V C -1.857 174.143 176.094 -0.158 0.000 1.099 258 V CA -2.858 59.383 62.300 -0.098 0.000 0.971 258 V CB 3.540 35.394 31.823 0.051 0.000 1.028 258 V HN 0.201 8.341 8.190 -0.084 0.000 0.430 259 S N 2.501 118.111 115.700 -0.151 0.000 2.410 259 S HA 0.478 5.005 4.470 -0.177 -0.163 0.304 259 S C -0.893 173.636 174.600 -0.119 0.000 1.095 259 S CA -1.593 56.519 58.200 -0.147 0.000 1.089 259 S CB 0.372 63.502 63.200 -0.118 0.000 0.968 259 S HN -0.006 8.223 8.310 -0.135 0.000 0.480 260 I N 9.250 129.758 120.570 -0.104 0.000 2.405 260 I HA 0.317 4.456 4.170 -0.051 0.000 0.280 260 I C -0.383 175.741 176.117 0.010 0.000 1.027 260 I CA -0.903 60.354 61.300 -0.070 0.000 1.161 260 I CB 1.079 38.944 38.000 -0.226 0.000 1.300 260 I HN 0.602 8.742 8.210 -0.116 0.000 0.463 261 S N 7.133 122.845 115.700 0.021 0.000 3.559 261 S HA -0.385 4.105 4.470 0.033 0.000 0.369 261 S C 0.682 175.311 174.600 0.049 0.000 0.987 261 S CA 1.469 59.694 58.200 0.042 0.000 1.187 261 S CB -1.567 61.672 63.200 0.064 0.000 0.914 261 S HN 0.937 9.254 8.310 0.011 0.000 0.480 262 G N -2.783 106.034 108.800 0.029 0.000 2.199 262 G HA2 -0.450 3.513 3.960 0.006 0.000 0.254 262 G HA3 -0.450 3.533 3.960 0.038 0.000 0.254 262 G C -1.281 173.656 174.900 0.060 0.000 0.982 262 G CA 0.027 45.145 45.100 0.030 0.000 0.632 262 G HN 0.441 8.721 8.290 0.008 0.015 0.529 263 Y N 2.096 122.357 120.300 -0.065 0.000 2.342 263 Y HA 0.238 4.753 4.550 -0.058 0.000 0.334 263 Y C -1.609 174.234 175.900 -0.094 0.000 1.067 263 Y CA -1.142 56.913 58.100 -0.076 0.000 1.128 263 Y CB 1.709 40.115 38.460 -0.089 0.000 1.200 263 Y HN -0.466 7.716 8.280 0.138 0.181 0.464 264 T N 10.216 124.330 114.554 -0.733 0.000 2.727 264 T HA 0.286 4.505 4.350 -0.486 -0.161 0.298 264 T C -1.388 172.660 174.700 -1.087 0.000 0.942 264 T CA -0.260 61.441 62.100 -0.664 0.000 0.997 264 T CB 0.254 68.904 68.868 -0.363 0.000 0.917 264 T HN 0.343 8.235 8.240 -0.579 0.000 0.487 265 A N 8.794 131.155 122.820 -0.765 0.000 2.316 265 A HA 0.331 4.348 4.320 -0.504 0.000 0.311 265 A C -1.647 175.861 177.584 -0.128 0.000 1.339 265 A CA -1.225 50.572 52.037 -0.400 0.000 0.960 265 A CB 0.807 19.792 19.000 -0.026 0.000 1.152 265 A HN 0.500 8.314 8.150 -0.559 0.000 0.547 266 T N 7.165 121.647 114.554 -0.120 0.000 2.771 266 T HA 0.251 4.719 4.350 -0.013 -0.126 0.281 266 T C -0.892 173.819 174.700 0.019 0.000 0.982 266 T CA -0.552 61.526 62.100 -0.036 0.000 0.978 266 T CB 1.129 69.962 68.868 -0.058 0.000 0.930 266 T HN 0.110 8.260 8.240 -0.151 0.000 0.447 267 V N 7.001 126.988 119.914 0.122 0.000 2.348 267 V HA 0.349 4.507 4.120 0.064 0.000 0.270 267 V C -1.975 174.188 176.094 0.114 0.000 1.037 267 V CA -3.873 58.506 62.300 0.131 0.000 0.872 267 V CB -0.097 31.880 31.823 0.256 0.000 1.002 267 V HN 0.777 9.073 8.190 0.177 0.000 0.464 268 P HA 0.021 4.635 4.420 0.061 -0.157 0.269 268 P C 1.122 178.469 177.300 0.079 0.000 1.209 268 P CA -0.505 62.632 63.100 0.062 0.000 0.776 268 P CB 0.556 32.279 31.700 0.038 0.000 0.876 269 G N 1.400 110.249 108.800 0.081 0.000 2.475 269 G HA2 -0.415 3.709 3.960 0.130 0.000 0.220 269 G HA3 -0.415 3.795 3.960 0.075 -0.205 0.220 269 G C 1.532 176.471 174.900 0.066 0.000 1.125 269 G CA 2.183 47.337 45.100 0.090 0.000 0.755 269 G HN 0.290 8.907 8.290 0.072 -0.284 0.565 270 S N 1.549 117.275 115.700 0.043 0.000 2.387 270 S HA -0.353 4.137 4.470 0.034 0.000 0.230 270 S C 1.741 176.343 174.600 0.002 0.000 1.035 270 S CA 3.088 61.303 58.200 0.026 0.000 1.014 270 S CB -1.066 62.144 63.200 0.017 0.000 0.836 270 S HN 0.128 8.443 8.310 0.040 0.019 0.466 271 L N 0.118 121.347 121.223 0.010 0.000 2.478 271 L HA -0.080 4.208 4.340 -0.087 0.000 0.223 271 L C 0.723 177.628 176.870 0.059 0.000 1.140 271 L CA 1.134 55.971 54.840 -0.005 0.000 0.842 271 L CB -0.106 41.967 42.059 0.025 0.000 0.953 271 L HN -0.656 7.573 8.230 0.028 0.018 0.452 272 I N -4.096 116.530 120.570 0.095 0.000 3.578 272 I HA -0.187 4.061 4.170 0.130 0.000 0.295 272 I C -0.768 175.510 176.117 0.268 0.000 1.280 272 I CA 0.605 61.990 61.300 0.141 0.000 1.347 272 I CB -0.224 37.826 38.000 0.083 0.000 1.051 272 I HN -0.703 7.387 8.210 0.086 0.172 0.460 273 N N -0.049 118.795 118.700 0.241 0.000 2.482 273 N HA -0.073 5.003 4.740 0.561 0.000 0.242 273 N C -0.099 175.550 175.510 0.231 0.000 1.100 273 N CA -0.684 52.572 53.050 0.343 0.000 0.946 273 N CB -0.640 38.014 38.487 0.278 0.000 1.227 273 N HN -0.869 7.567 8.380 0.156 0.038 0.508 274 Y N 8.087 128.475 120.300 0.148 0.000 2.145 274 Y HA -0.342 4.254 4.550 0.075 0.000 0.286 274 Y C -1.337 174.611 175.900 0.080 0.000 1.145 274 Y CA 2.445 60.599 58.100 0.090 0.000 1.148 274 Y CB 0.991 39.501 38.460 0.083 0.000 0.981 274 Y HN -0.246 8.295 8.280 0.434 0.000 0.507 275 G N -5.639 103.158 108.800 -0.005 0.000 2.341 275 G HA2 -0.047 3.878 3.960 -0.058 0.000 0.293 275 G HA3 -0.047 3.746 3.960 -0.279 0.000 0.293 275 G C -3.573 171.318 174.900 -0.015 0.000 1.298 275 G CA -0.760 44.274 45.100 -0.110 0.000 0.868 275 G HN -1.019 7.419 8.290 0.153 -0.056 0.540 276 P HA 0.024 4.554 4.420 -0.023 -0.123 0.265 276 P C -1.064 176.237 177.300 0.002 0.000 1.193 276 P CA 0.379 63.469 63.100 -0.017 0.000 0.765 276 P CB 0.468 32.157 31.700 -0.019 0.000 0.823 277 S N 3.761 119.449 115.700 -0.020 0.000 2.561 277 S HA -0.208 4.278 4.470 0.026 0.000 0.225 277 S C 0.673 175.270 174.600 -0.005 0.000 0.977 277 S CA 1.120 59.311 58.200 -0.014 0.000 0.926 277 S CB 0.630 63.780 63.200 -0.085 0.000 0.769 277 S HN 0.288 8.572 8.310 -0.042 0.000 0.533 278 G N 1.887 110.683 108.800 -0.007 0.000 3.138 278 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.247 278 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.247 278 G C 0.851 175.742 174.900 -0.015 0.000 1.642 278 G CA 0.155 45.252 45.100 -0.005 0.000 1.087 278 G HN -0.050 8.186 8.290 -0.010 0.048 0.558 279 D N 3.960 124.348 120.400 -0.019 0.000 2.330 279 D HA -0.181 4.450 4.640 -0.015 0.000 0.228 279 D C 1.352 177.641 176.300 -0.018 0.000 1.136 279 D CA 2.039 56.029 54.000 -0.018 0.000 0.983 279 D CB -0.049 40.736 40.800 -0.024 0.000 1.403 279 D HN 0.212 8.569 8.370 -0.022 0.000 0.524 280 G N -0.725 108.060 108.800 -0.025 0.000 2.728 280 G HA2 0.132 4.082 3.960 -0.016 0.000 0.223 280 G HA3 0.132 4.081 3.960 -0.019 0.000 0.223 280 G C -0.629 174.260 174.900 -0.018 0.000 1.379 280 G CA 0.241 45.329 45.100 -0.020 0.000 0.870 280 G HN 0.440 8.712 8.290 -0.030 0.000 0.591 281 S N 1.621 117.310 115.700 -0.019 0.000 2.399 281 S HA 0.259 4.721 4.470 -0.014 0.000 0.198 281 S C -1.043 173.545 174.600 -0.021 0.000 1.294 281 S CA -0.948 57.244 58.200 -0.013 0.000 1.237 281 S CB -0.199 62.998 63.200 -0.004 0.000 1.286 281 S HN -0.112 8.185 8.310 -0.021 0.000 0.404 282 T N -2.201 112.326 114.554 -0.045 0.000 2.888 282 T HA 0.462 4.776 4.350 -0.060 0.000 0.288 282 T C -1.897 172.727 174.700 -0.126 0.000 1.063 282 T CA -2.134 59.913 62.100 -0.088 0.000 1.010 282 T CB 2.512 71.308 68.868 -0.121 0.000 1.214 282 T HN -0.364 7.847 8.240 -0.048 0.000 0.533 283 c N -0.468 117.979 118.600 -0.255 0.000 2.456 283 c HA 0.643 5.259 4.570 -0.147 -0.134 0.325 283 c C -1.129 172.628 174.090 -0.555 0.000 1.217 283 c CA -0.029 56.128 56.329 -0.288 0.000 1.687 283 c CB 2.438 44.863 42.510 -0.142 0.000 2.270 283 c HN 0.424 8.456 8.230 -0.329 0.000 0.499 284 L N 3.620 124.709 121.223 -0.223 0.000 2.349 284 L HA 0.292 4.478 4.340 -0.256 0.000 0.275 284 L C -0.862 176.014 176.870 0.010 0.000 1.115 284 L CA -0.624 54.130 54.840 -0.143 0.000 0.820 284 L CB 2.353 44.437 42.059 0.042 0.000 1.135 284 L HN 0.008 8.197 8.230 -0.068 0.000 0.445 285 G N 3.336 112.215 108.800 0.131 0.000 2.483 285 G HA2 -0.004 4.587 3.960 0.817 0.000 0.248 285 G HA3 -0.004 4.432 3.960 0.794 0.000 0.248 285 G C -0.507 174.585 174.900 0.319 0.000 1.248 285 G CA -0.390 45.050 45.100 0.567 0.000 0.838 285 G HN -0.099 8.196 8.290 0.008 0.000 0.566 286 G N 0.979 109.954 108.800 0.293 0.000 2.650 286 G HA2 0.025 4.044 3.960 0.099 0.000 0.214 286 G HA3 0.025 4.069 3.960 0.141 0.000 0.214 286 G C -0.742 174.157 174.900 -0.002 0.000 1.136 286 G CA 0.025 45.203 45.100 0.129 0.000 0.789 286 G HN 0.178 8.683 8.290 0.358 0.000 0.536 287 I N 0.815 121.371 120.570 -0.025 0.000 2.331 287 I HA 0.719 4.962 4.170 -0.256 -0.226 0.292 287 I C -1.391 174.757 176.117 0.051 0.000 0.998 287 I CA -0.155 61.037 61.300 -0.180 0.000 1.267 287 I CB 0.781 38.436 38.000 -0.576 0.000 1.386 287 I HN -0.862 7.357 8.210 0.077 0.037 0.476 288 Q N 5.376 125.149 119.800 -0.046 0.000 2.626 288 Q HA 0.441 4.869 4.340 0.146 0.000 0.300 288 Q C -1.714 174.246 176.000 -0.068 0.000 0.988 288 Q CA -2.158 53.659 55.803 0.023 0.000 0.761 288 Q CB 4.486 33.220 28.738 -0.007 0.000 1.494 288 Q HN 0.257 8.443 8.270 -0.140 0.000 0.439 289 S N 0.148 115.829 115.700 -0.032 0.000 2.572 289 S HA -0.035 4.516 4.470 -0.106 -0.144 0.279 289 S C 1.274 175.789 174.600 -0.141 0.000 1.341 289 S CA 0.850 59.000 58.200 -0.085 0.000 1.043 289 S CB 0.902 64.077 63.200 -0.040 0.000 0.887 289 S HN 0.435 8.755 8.310 0.017 0.000 0.516 290 N N 4.719 123.302 118.700 -0.195 0.000 2.370 290 N HA 0.004 4.607 4.740 -0.228 0.000 0.198 290 N C 0.115 175.506 175.510 -0.198 0.000 1.156 290 N CA -0.625 52.283 53.050 -0.237 0.000 0.839 290 N CB -0.372 37.913 38.487 -0.338 0.000 0.989 290 N HN 0.012 8.269 8.380 -0.205 0.000 0.468 291 S N -1.971 113.646 115.700 -0.138 0.000 3.476 291 S HA -0.355 4.066 4.470 -0.081 0.000 0.309 291 S C -0.115 174.426 174.600 -0.098 0.000 1.222 291 S CA 1.930 60.070 58.200 -0.101 0.000 0.922 291 S CB -1.443 61.705 63.200 -0.087 0.000 1.023 291 S HN -0.136 8.017 8.310 -0.125 0.082 0.591 292 G N -2.266 106.463 108.800 -0.119 0.000 2.136 292 G HA2 -0.324 3.578 3.960 -0.097 0.000 0.242 292 G HA3 -0.324 3.595 3.960 -0.068 0.000 0.242 292 G C 0.346 175.188 174.900 -0.097 0.000 0.989 292 G CA 0.632 45.676 45.100 -0.094 0.000 0.682 292 G HN -0.210 8.167 8.290 -0.142 -0.172 0.522 293 I N -3.307 117.164 120.570 -0.165 0.000 3.111 293 I HA -0.022 4.108 4.170 -0.067 0.000 0.272 293 I C 0.940 177.007 176.117 -0.083 0.000 1.268 293 I CA 0.272 61.475 61.300 -0.161 0.000 1.467 293 I CB 0.014 37.812 38.000 -0.336 0.000 1.087 293 I HN -0.851 7.230 8.210 -0.214 0.000 0.467 294 G N -0.189 108.554 108.800 -0.095 0.000 2.141 294 G HA2 -0.388 3.579 3.960 0.011 0.000 0.242 294 G HA3 -0.388 3.642 3.960 0.116 0.000 0.242 294 G C -1.322 173.687 174.900 0.182 0.000 0.982 294 G CA 0.099 45.228 45.100 0.049 0.000 0.662 294 G HN 0.474 8.626 8.290 -0.156 0.044 0.527 295 F N -5.992 113.931 119.950 -0.046 0.000 2.713 295 F HA 0.567 5.092 4.527 -0.004 0.000 0.311 295 F C -2.719 173.015 175.800 -0.110 0.000 1.141 295 F CA -3.073 54.910 58.000 -0.030 0.000 0.939 295 F CB 2.513 41.524 39.000 0.018 0.000 1.325 295 F HN -0.932 7.124 8.300 -0.321 0.052 0.453 296 S N -0.366 115.363 115.700 0.048 0.000 2.651 296 S HA 0.362 4.696 4.470 -0.376 -0.089 0.291 296 S C -1.218 173.304 174.600 -0.129 0.000 1.141 296 S CA -0.873 57.187 58.200 -0.233 0.000 1.027 296 S CB 2.893 65.871 63.200 -0.370 0.000 1.043 296 S HN 0.184 8.663 8.310 0.281 0.000 0.530 297 I N 1.858 122.247 120.570 -0.301 0.000 2.390 297 I HA 0.189 4.388 4.170 0.049 0.000 0.283 297 I C -1.289 174.719 176.117 -0.181 0.000 1.016 297 I CA -2.004 59.225 61.300 -0.119 0.000 1.151 297 I CB -0.300 37.637 38.000 -0.105 0.000 1.293 297 I HN 0.527 8.491 8.210 -0.410 0.000 0.458 298 F N 7.890 127.876 119.950 0.060 0.000 2.567 298 F HA 0.160 4.679 4.527 -0.014 0.000 0.352 298 F C -0.392 175.543 175.800 0.225 0.000 1.229 298 F CA -0.769 57.264 58.000 0.056 0.000 1.228 298 F CB -1.760 37.203 39.000 -0.061 0.000 1.568 298 F HN 0.377 8.907 8.300 0.383 0.000 0.634 299 G N 1.518 110.477 108.800 0.265 0.000 2.509 299 G HA2 0.182 4.543 3.960 0.277 0.000 0.269 299 G HA3 0.182 4.497 3.960 0.182 -0.246 0.269 299 G C -0.184 174.897 174.900 0.303 0.000 1.416 299 G CA -1.093 44.160 45.100 0.256 0.000 1.052 299 G HN -0.458 7.885 8.290 0.146 0.035 0.542 300 D N 0.573 121.122 120.400 0.249 0.000 2.178 300 D HA -0.195 4.559 4.640 0.189 0.000 0.201 300 D C 2.397 178.848 176.300 0.251 0.000 0.980 300 D CA 3.380 57.525 54.000 0.242 0.000 0.842 300 D CB -0.259 40.741 40.800 0.334 0.000 0.948 300 D HN -0.134 8.373 8.370 0.227 0.000 0.472 301 I N -1.592 119.128 120.570 0.249 0.000 2.151 301 I HA -0.404 3.897 4.170 0.219 0.000 0.243 301 I C 1.410 177.670 176.117 0.239 0.000 1.080 301 I CA 2.935 64.368 61.300 0.222 0.000 1.339 301 I CB -0.831 37.268 38.000 0.166 0.000 1.039 301 I HN -0.735 7.613 8.210 0.229 0.000 0.409 302 F N -0.455 119.594 119.950 0.166 0.000 2.113 302 F HA -0.302 4.356 4.527 0.217 0.000 0.297 302 F C 1.430 177.355 175.800 0.209 0.000 1.103 302 F CA 3.255 61.394 58.000 0.232 0.000 1.248 302 F CB 0.604 39.835 39.000 0.385 0.000 0.999 302 F HN -0.933 7.627 8.300 0.433 0.000 0.475 303 L N -1.691 119.686 121.223 0.256 0.000 2.191 303 L HA -0.444 3.903 4.340 0.012 0.000 0.212 303 L C 2.336 179.175 176.870 -0.050 0.000 1.103 303 L CA 2.710 57.597 54.840 0.079 0.000 0.769 303 L CB -0.718 41.436 42.059 0.159 0.000 0.908 303 L HN -0.176 8.299 8.230 0.408 0.000 0.438 304 K N -2.330 118.073 120.400 0.005 0.000 2.360 304 K HA -0.203 4.382 4.320 0.005 -0.262 0.201 304 K C 1.531 178.121 176.600 -0.017 0.000 1.046 304 K CA 2.530 58.828 56.287 0.018 0.000 0.945 304 K CB -0.103 32.462 32.500 0.108 0.000 0.750 304 K HN -0.169 8.097 8.250 0.064 0.023 0.464 305 S N -4.934 110.708 115.700 -0.097 0.000 2.524 305 S HA 0.031 4.476 4.470 -0.042 0.000 0.216 305 S C -0.489 174.047 174.600 -0.106 0.000 0.987 305 S CA 1.177 59.315 58.200 -0.104 0.000 0.909 305 S CB 0.923 64.037 63.200 -0.144 0.000 0.781 305 S HN -0.440 7.727 8.310 -0.150 0.053 0.521 306 Q N 0.358 120.076 119.800 -0.137 0.000 2.433 306 Q HA 0.571 5.047 4.340 -0.012 -0.143 0.279 306 Q C -1.802 174.197 176.000 -0.002 0.000 1.105 306 Q CA -1.866 53.896 55.803 -0.068 0.000 0.815 306 Q CB 4.093 32.766 28.738 -0.108 0.000 1.403 306 Q HN -0.665 7.351 8.270 -0.159 0.158 0.435 307 Y N 2.677 122.893 120.300 -0.141 0.000 2.326 307 Y HA 0.209 4.810 4.550 -0.177 -0.157 0.337 307 Y C -1.859 173.823 175.900 -0.363 0.000 1.023 307 Y CA -1.070 56.910 58.100 -0.199 0.000 1.143 307 Y CB 1.998 40.389 38.460 -0.115 0.000 1.183 307 Y HN 0.219 8.561 8.280 0.103 0.000 0.485 308 V N 7.891 127.370 119.914 -0.725 0.000 2.444 308 V HA 0.638 4.366 4.120 -1.023 -0.222 0.294 308 V C -1.315 174.181 176.094 -0.996 0.000 1.022 308 V CA -2.237 59.521 62.300 -0.904 0.000 0.850 308 V CB 2.260 33.633 31.823 -0.750 0.000 0.992 308 V HN 0.006 7.721 8.190 -0.791 0.000 0.426 309 V N 7.485 126.779 119.914 -1.033 0.000 2.383 309 V HA 0.201 4.006 4.120 -0.722 -0.118 0.275 309 V C -0.875 174.665 176.094 -0.922 0.000 1.036 309 V CA -1.060 60.764 62.300 -0.793 0.000 0.889 309 V CB 0.211 31.724 31.823 -0.517 0.000 0.985 309 V HN 0.612 8.141 8.190 -1.102 0.000 0.459 310 F N 8.044 127.299 119.950 -1.159 0.000 2.303 310 F HA 0.195 3.912 4.527 -1.349 0.000 0.368 310 F C -1.656 173.593 175.800 -0.918 0.000 1.105 310 F CA -1.075 55.986 58.000 -1.565 0.000 1.153 310 F CB 0.405 37.697 39.000 -2.846 0.000 1.362 310 F HN 0.922 8.755 8.300 -0.778 0.000 0.511 311 D N 4.159 124.475 120.400 -0.139 0.000 2.349 311 D HA 0.421 5.127 4.640 0.110 0.000 0.232 311 D C 0.845 177.410 176.300 0.441 0.000 1.071 311 D CA -1.887 52.199 54.000 0.145 0.000 0.832 311 D CB 2.648 43.506 40.800 0.096 0.000 1.086 311 D HN 0.029 8.332 8.370 -0.112 0.000 0.504 312 S N 6.172 122.175 115.700 0.505 0.000 2.447 312 S HA -0.257 4.565 4.470 0.587 0.000 0.233 312 S C 0.592 175.366 174.600 0.290 0.000 1.006 312 S CA 2.321 60.818 58.200 0.494 0.000 0.957 312 S CB 0.236 63.726 63.200 0.483 0.000 0.773 312 S HN -0.011 8.593 8.310 0.491 0.000 0.507 313 D N 1.951 122.475 120.400 0.206 0.000 2.338 313 D HA -0.105 4.602 4.640 0.111 0.000 0.255 313 D C -0.271 176.086 176.300 0.094 0.000 1.237 313 D CA 0.350 54.419 54.000 0.114 0.000 0.883 313 D CB -0.033 40.804 40.800 0.061 0.000 1.087 313 D HN -0.704 8.024 8.370 0.213 -0.230 0.485 314 G N 4.346 113.197 108.800 0.084 0.000 2.650 314 G HA2 -0.223 3.761 3.960 0.040 0.000 0.193 314 G HA3 -0.223 3.785 3.960 0.080 0.000 0.193 314 G C -2.040 172.898 174.900 0.065 0.000 2.403 314 G CA -0.169 44.971 45.100 0.068 0.000 1.493 314 G HN 0.061 8.400 8.290 0.081 0.000 0.459 315 P HA 0.345 5.022 4.420 0.240 -0.113 0.274 315 P C -1.862 175.568 177.300 0.217 0.000 1.256 315 P CA -0.554 62.674 63.100 0.214 0.000 0.795 315 P CB 1.538 33.399 31.700 0.269 0.000 1.038 316 Q N -4.835 115.146 119.800 0.302 0.000 2.522 316 Q HA 0.605 5.182 4.340 0.223 -0.103 0.285 316 Q C -2.048 174.065 176.000 0.187 0.000 0.982 316 Q CA -0.813 55.129 55.803 0.233 0.000 0.805 316 Q CB 4.299 33.135 28.738 0.164 0.000 1.457 316 Q HN 0.151 8.656 8.270 0.391 0.000 0.394 317 L N 0.398 121.633 121.223 0.020 0.000 2.346 317 L HA 0.946 5.157 4.340 -0.596 -0.229 0.276 317 L C -0.677 175.860 176.870 -0.556 0.000 1.006 317 L CA -1.801 52.765 54.840 -0.456 0.000 0.817 317 L CB 3.659 45.295 42.059 -0.705 0.000 1.272 317 L HN 0.209 8.488 8.230 0.081 0.000 0.421 318 G N 0.139 108.351 108.800 -0.980 0.000 2.416 318 G HA2 0.756 4.149 3.960 -1.265 0.000 0.329 318 G HA3 0.756 3.669 3.960 -1.745 0.000 0.329 318 G C -2.155 171.989 174.900 -1.260 0.000 1.173 318 G CA -1.585 42.704 45.100 -1.352 0.000 0.929 318 G HN 0.324 8.037 8.290 -0.961 0.000 0.475 319 F N 1.651 121.105 119.950 -0.827 0.000 2.565 319 F HA 0.944 5.301 4.527 -0.589 -0.184 0.313 319 F C -1.687 173.595 175.800 -0.862 0.000 1.091 319 F CA -1.752 55.835 58.000 -0.688 0.000 0.915 319 F CB 4.729 43.452 39.000 -0.461 0.000 1.208 319 F HN 0.156 8.057 8.300 -0.665 0.000 0.453 320 A N -0.301 122.266 122.820 -0.421 0.000 2.610 320 A HA 0.501 4.492 4.320 -0.548 0.000 0.291 320 A C -3.615 173.969 177.584 0.001 0.000 1.086 320 A CA -1.718 50.105 52.037 -0.355 0.000 0.677 320 A CB 2.168 20.915 19.000 -0.422 0.000 1.278 320 A HN 0.363 8.353 8.150 -0.267 0.000 0.414 321 P HA 0.045 4.665 4.420 0.116 -0.131 0.271 321 P C -1.307 176.057 177.300 0.106 0.000 1.216 321 P CA -0.788 62.388 63.100 0.126 0.000 0.771 321 P CB 0.445 32.221 31.700 0.125 0.000 0.864 322 Q N 4.253 124.097 119.800 0.073 0.000 2.337 322 Q HA -0.187 4.359 4.340 0.105 -0.143 0.270 322 Q C -0.148 175.874 176.000 0.037 0.000 1.002 322 Q CA 0.423 56.268 55.803 0.070 0.000 0.888 322 Q CB 1.209 29.977 28.738 0.050 0.000 1.222 322 Q HN -0.347 7.954 8.270 0.051 0.000 0.400 323 A N 0.000 122.822 122.820 0.003 0.000 2.254 323 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 323 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 323 A CB 0.000 18.949 19.000 -0.085 0.000 0.831 323 A HN 0.000 8.033 8.150 -0.010 0.111 0.486