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 3m9s_1_5 DATA FIRST_RESID 1 DATA SEQUENCE MRLERVLEEA RAKGYPIEDN GLGNLWVVLP RERFKEEMAH YKAMGFNFLA DATA SEQUENCE DIVGLDYLTY PDPRPERFAV VYELVSLPGW KDGDGSRFFV RVYVPEEDPR DATA SEQUENCE LPTVTDLWGS ANFLEREVYD LFGIVFEGHP DLRKILTPED LEGHPLRKDY DATA SEQUENCE PLGETPTLFR EGRYIIPAEF RAALTGKDPG LTFYKGGSRK GYRSLW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.267 176.300 -0.056 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 R N 0.897 121.342 120.500 -0.092 0.000 2.293 2 R HA -0.064 4.275 4.340 -0.001 0.000 0.219 2 R C 1.870 178.082 176.300 -0.148 0.000 1.091 2 R CA 0.987 56.980 56.100 -0.179 0.000 1.004 2 R CB -0.033 30.070 30.300 -0.329 0.000 0.865 2 R HN 0.258 8.528 8.270 -0.000 0.000 0.469 3 L N 0.985 122.174 121.223 -0.057 0.000 2.162 3 L HA -0.019 4.321 4.340 -0.001 0.000 0.205 3 L C 1.608 178.442 176.870 -0.061 0.000 1.086 3 L CA 1.647 56.461 54.840 -0.043 0.000 0.778 3 L CB -0.078 41.978 42.059 -0.006 0.000 0.928 3 L HN 0.014 8.244 8.230 -0.000 0.000 0.446 4 E N -0.516 119.663 120.200 -0.036 0.000 2.153 4 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 4 E C 2.087 178.674 176.600 -0.022 0.000 0.988 4 E CA 0.843 57.232 56.400 -0.019 0.000 0.811 4 E CB -0.066 29.628 29.700 -0.010 0.000 0.746 4 E HN 0.465 8.825 8.360 -0.000 0.000 0.466 5 R N 0.263 120.737 120.500 -0.043 0.000 2.235 5 R HA -0.040 4.299 4.340 -0.001 0.000 0.213 5 R C 2.126 178.403 176.300 -0.039 0.000 1.059 5 R CA 0.454 56.529 56.100 -0.041 0.000 0.997 5 R CB 0.131 30.392 30.300 -0.065 0.000 0.884 5 R HN 0.066 8.336 8.270 -0.000 0.000 0.462 6 V N 0.982 120.862 119.914 -0.057 0.000 2.379 6 V HA -0.146 3.974 4.120 -0.001 0.000 0.243 6 V C 2.225 178.350 176.094 0.053 0.000 1.035 6 V CA 1.304 63.580 62.300 -0.039 0.000 1.035 6 V CB -0.275 31.471 31.823 -0.128 0.000 0.673 6 V HN 0.236 8.426 8.190 -0.000 0.000 0.457 7 L N -0.212 121.028 121.223 0.029 0.000 2.027 7 L HA -0.140 4.199 4.340 -0.001 0.000 0.206 7 L C 2.529 179.443 176.870 0.073 0.000 1.074 7 L CA 1.661 56.545 54.840 0.073 0.000 0.745 7 L CB -0.826 41.265 42.059 0.053 0.000 0.898 7 L HN 0.364 8.594 8.230 -0.000 0.000 0.433 8 E N -0.005 120.221 120.200 0.043 0.000 2.267 8 E HA -0.277 4.072 4.350 -0.001 0.000 0.197 8 E C 1.965 178.590 176.600 0.042 0.000 0.998 8 E CA 1.264 57.685 56.400 0.036 0.000 0.830 8 E CB 0.031 29.742 29.700 0.019 0.000 0.751 8 E HN 0.520 8.880 8.360 -0.000 0.000 0.491 9 E N 0.257 120.493 120.200 0.060 0.000 2.166 9 E HA -0.012 4.338 4.350 -0.001 0.000 0.192 9 E C 1.958 178.610 176.600 0.087 0.000 0.967 9 E CA 0.616 57.057 56.400 0.068 0.000 0.840 9 E CB 0.060 29.813 29.700 0.088 0.000 0.795 9 E HN 0.169 8.529 8.360 -0.000 0.000 0.470 10 A N 1.195 124.118 122.820 0.171 0.000 2.014 10 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 10 A C 2.090 179.736 177.584 0.104 0.000 1.163 10 A CA 0.728 52.910 52.037 0.241 0.000 0.652 10 A CB -0.292 18.976 19.000 0.447 0.000 0.808 10 A HN 0.135 8.285 8.150 -0.000 0.000 0.449 11 R N -0.412 120.140 120.500 0.088 0.000 2.081 11 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 11 R C 2.397 178.704 176.300 0.011 0.000 1.131 11 R CA 1.296 57.431 56.100 0.057 0.000 0.960 11 R CB -0.391 29.942 30.300 0.054 0.000 0.856 11 R HN 0.484 8.754 8.270 -0.000 0.000 0.436 12 A N 0.822 123.638 122.820 -0.007 0.000 2.014 12 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 12 A C 1.746 179.284 177.584 -0.078 0.000 1.163 12 A CA 0.966 52.985 52.037 -0.030 0.000 0.652 12 A CB -0.024 18.962 19.000 -0.023 0.000 0.808 12 A HN 0.114 8.264 8.150 -0.000 0.000 0.449 13 K N -0.747 119.564 120.400 -0.149 0.000 2.493 13 K HA 0.297 4.616 4.320 -0.001 0.000 0.207 13 K C 0.719 177.077 176.600 -0.403 0.000 1.033 13 K CA 0.448 56.556 56.287 -0.299 0.000 1.161 13 K CB -0.422 31.817 32.500 -0.435 0.000 0.873 13 K HN 0.525 8.775 8.250 -0.000 0.000 0.491 14 G N 1.260 109.952 108.800 -0.180 0.000 2.225 14 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.267 14 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.267 14 G C -0.594 174.335 174.900 0.048 0.000 1.024 14 G CA 0.204 45.263 45.100 -0.067 0.000 0.784 14 G HN 0.257 8.547 8.290 -0.000 0.000 0.507 15 Y N 0.013 120.377 120.300 0.106 0.000 2.327 15 Y HA 0.481 5.030 4.550 -0.001 0.000 0.336 15 Y C -1.623 174.352 175.900 0.125 0.000 1.035 15 Y CA -3.295 54.884 58.100 0.131 0.000 1.165 15 Y CB 0.930 39.495 38.460 0.175 0.000 1.181 15 Y HN 0.001 8.281 8.280 -0.000 0.000 0.494 16 P HA 0.151 4.571 4.420 -0.000 0.000 0.271 16 P C -0.715 176.718 177.300 0.221 0.000 1.218 16 P CA 0.045 63.264 63.100 0.199 0.000 0.780 16 P CB 0.750 32.539 31.700 0.149 0.000 0.901 17 I N 2.452 123.135 120.570 0.188 0.000 2.382 17 I HA 0.264 4.433 4.170 -0.001 0.000 0.286 17 I C 0.503 176.734 176.117 0.189 0.000 1.002 17 I CA -0.466 60.960 61.300 0.210 0.000 1.135 17 I CB 1.004 39.116 38.000 0.187 0.000 1.288 17 I HN 0.314 8.524 8.210 -0.000 0.000 0.448 18 E N 4.201 124.549 120.200 0.246 0.000 2.216 18 E HA 0.404 4.753 4.350 -0.001 0.000 0.279 18 E C -1.039 175.740 176.600 0.298 0.000 0.997 18 E CA -0.497 56.029 56.400 0.211 0.000 0.817 18 E CB 1.958 31.734 29.700 0.126 0.000 1.096 18 E HN 0.364 8.724 8.360 -0.000 0.000 0.393 19 D N 2.241 122.759 120.400 0.198 0.000 2.890 19 D HA 0.148 4.788 4.640 -0.001 0.000 0.233 19 D C -1.534 174.847 176.300 0.134 0.000 1.306 19 D CA -0.703 53.416 54.000 0.198 0.000 0.929 19 D CB 0.857 41.739 40.800 0.137 0.000 1.512 19 D HN 0.437 8.807 8.370 -0.000 0.000 0.568 20 N N 0.609 119.409 118.700 0.167 0.000 2.456 20 N HA 0.471 5.211 4.740 -0.001 0.000 0.296 20 N C 1.088 176.632 175.510 0.057 0.000 1.102 20 N CA -0.783 52.323 53.050 0.092 0.000 0.924 20 N CB 1.645 40.198 38.487 0.110 0.000 1.186 20 N HN 0.268 8.648 8.380 -0.000 0.000 0.492 21 G N 0.318 109.126 108.800 0.014 0.000 2.916 21 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.205 21 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.205 21 G C 0.616 175.486 174.900 -0.051 0.000 1.163 21 G CA 0.295 45.381 45.100 -0.024 0.000 0.821 21 G HN 0.605 8.895 8.290 -0.000 0.000 0.515 22 L N -1.288 119.924 121.223 -0.018 0.000 2.556 22 L HA 0.355 4.694 4.340 -0.001 0.000 0.226 22 L C 1.775 178.634 176.870 -0.018 0.000 1.089 22 L CA 0.634 55.455 54.840 -0.031 0.000 0.864 22 L CB 0.464 42.518 42.059 -0.009 0.000 1.067 22 L HN 0.293 8.523 8.230 -0.000 0.000 0.477 23 G N 0.207 109.010 108.800 0.004 0.000 2.276 23 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.177 23 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.177 23 G C -0.437 174.473 174.900 0.015 0.000 1.017 23 G CA -0.615 44.490 45.100 0.008 0.000 0.750 23 G HN 0.393 8.683 8.290 -0.000 0.000 0.506 24 N N 0.207 118.908 118.700 0.002 0.000 2.272 24 N HA 0.817 5.556 4.740 -0.001 0.000 0.305 24 N C -0.442 175.016 175.510 -0.087 0.000 1.103 24 N CA -0.886 52.087 53.050 -0.129 0.000 0.791 24 N CB 2.337 40.583 38.487 -0.402 0.000 1.356 24 N HN 0.430 8.810 8.380 -0.000 0.000 0.486 25 L N -2.707 118.409 121.223 -0.179 0.000 2.434 25 L HA 0.730 5.069 4.340 -0.001 0.000 0.260 25 L C -1.360 175.498 176.870 -0.020 0.000 0.983 25 L CA -0.826 54.054 54.840 0.068 0.000 0.820 25 L CB 2.073 44.229 42.059 0.162 0.000 1.361 25 L HN 0.504 8.734 8.230 -0.000 0.000 0.410 26 W N 1.116 122.500 121.300 0.141 0.000 2.804 26 W HA 0.766 5.425 4.660 -0.001 0.000 0.352 26 W C -0.979 175.658 176.519 0.197 0.000 1.153 26 W CA -0.846 56.589 57.345 0.151 0.000 1.119 26 W CB 2.440 31.925 29.460 0.042 0.000 1.448 26 W HN 0.415 8.595 8.180 -0.000 0.000 0.600 27 V N 2.362 122.532 119.914 0.425 0.000 2.671 27 V HA 0.288 4.407 4.120 -0.001 0.000 0.292 27 V C -1.907 174.311 176.094 0.208 0.000 1.115 27 V CA -0.586 61.906 62.300 0.321 0.000 0.918 27 V CB 1.249 33.292 31.823 0.367 0.000 1.036 27 V HN 0.264 8.454 8.190 -0.000 0.000 0.445 28 V N 8.495 128.519 119.914 0.184 0.000 2.368 28 V HA 0.556 4.675 4.120 -0.001 0.000 0.266 28 V C -0.064 176.041 176.094 0.018 0.000 1.045 28 V CA -0.150 62.229 62.300 0.132 0.000 0.899 28 V CB 0.963 32.919 31.823 0.221 0.000 1.006 28 V HN 0.813 9.003 8.190 -0.000 0.000 0.470 29 L N 9.799 130.973 121.223 -0.081 0.000 2.334 29 L HA 0.544 4.883 4.340 -0.001 0.000 0.277 29 L C -1.744 175.127 176.870 0.002 0.000 1.075 29 L CA -1.807 52.910 54.840 -0.206 0.000 0.804 29 L CB 1.239 43.203 42.059 -0.159 0.000 1.174 29 L HN 0.464 8.694 8.230 -0.000 0.000 0.438 30 P HA 0.053 4.473 4.420 -0.000 0.000 0.274 30 P C 0.106 177.483 177.300 0.128 0.000 1.264 30 P CA -0.404 62.772 63.100 0.127 0.000 0.795 30 P CB 0.901 32.707 31.700 0.177 0.000 1.064 31 R N 0.298 120.868 120.500 0.117 0.000 2.062 31 R HA -0.139 4.201 4.340 -0.001 0.000 0.231 31 R C 2.213 178.620 176.300 0.179 0.000 1.136 31 R CA 1.853 58.025 56.100 0.120 0.000 0.948 31 R CB -0.702 29.651 30.300 0.088 0.000 0.845 31 R HN 0.415 8.685 8.270 -0.000 0.000 0.430 32 E N 0.592 120.883 120.200 0.151 0.000 2.007 32 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 32 E C 1.893 178.592 176.600 0.164 0.000 0.999 32 E CA 1.017 57.502 56.400 0.143 0.000 0.811 32 E CB -0.391 29.377 29.700 0.113 0.000 0.762 32 E HN 0.259 8.619 8.360 -0.000 0.000 0.450 33 R N 0.531 121.141 120.500 0.184 0.000 2.293 33 R HA -0.076 4.263 4.340 -0.001 0.000 0.219 33 R C 2.122 178.538 176.300 0.193 0.000 1.091 33 R CA 0.336 56.556 56.100 0.200 0.000 1.004 33 R CB -0.919 29.555 30.300 0.288 0.000 0.865 33 R HN 0.231 8.501 8.270 -0.000 0.000 0.469 34 F N 2.666 122.647 119.950 0.051 0.000 2.075 34 F HA -0.246 4.281 4.527 -0.001 0.000 0.297 34 F C 2.304 178.114 175.800 0.017 0.000 1.113 34 F CA 1.643 59.644 58.000 0.003 0.000 1.218 34 F CB -0.366 38.633 39.000 -0.001 0.000 0.984 34 F HN -0.134 8.166 8.300 -0.000 0.000 0.472 35 K N 1.180 121.424 120.400 -0.259 0.000 1.980 35 K HA -0.292 4.027 4.320 -0.001 0.000 0.223 35 K C 2.141 178.576 176.600 -0.274 0.000 1.052 35 K CA 2.674 58.740 56.287 -0.368 0.000 0.974 35 K CB -1.154 31.299 32.500 -0.079 0.000 0.734 35 K HN 0.631 8.881 8.250 -0.000 0.000 0.447 36 E N -0.245 119.904 120.200 -0.085 0.000 2.051 36 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 36 E C 1.927 178.566 176.600 0.065 0.000 0.991 36 E CA 1.127 57.520 56.400 -0.011 0.000 0.799 36 E CB -0.452 29.266 29.700 0.029 0.000 0.748 36 E HN 0.278 8.638 8.360 -0.000 0.000 0.449 37 E N 0.551 120.821 120.200 0.117 0.000 2.130 37 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 37 E C 1.949 178.808 176.600 0.432 0.000 0.998 37 E CA 1.437 58.025 56.400 0.314 0.000 0.806 37 E CB -0.225 29.686 29.700 0.352 0.000 0.738 37 E HN 0.365 8.725 8.360 -0.000 0.000 0.459 38 M N -0.119 119.522 119.600 0.068 0.000 2.200 38 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 38 M C 2.059 178.484 176.300 0.209 0.000 1.066 38 M CA 1.478 56.794 55.300 0.027 0.000 1.127 38 M CB -0.015 32.364 32.600 -0.368 0.000 1.379 38 M HN 0.069 8.359 8.290 -0.000 0.000 0.420 39 A N -0.777 122.081 122.820 0.062 0.000 1.908 39 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 39 A C 1.927 179.589 177.584 0.130 0.000 1.181 39 A CA 2.268 54.309 52.037 0.007 0.000 0.627 39 A CB -1.357 17.621 19.000 -0.036 0.000 0.818 39 A HN 0.759 8.909 8.150 -0.000 0.000 0.445 40 H N -1.756 117.396 119.070 0.136 0.000 2.426 40 H HA -0.204 4.351 4.556 -0.002 0.000 0.298 40 H C 1.600 177.037 175.328 0.182 0.000 1.107 40 H CA 2.142 58.267 56.048 0.127 0.000 1.298 40 H CB -0.406 29.426 29.762 0.115 0.000 1.377 40 H HN 0.561 8.841 8.280 -0.000 0.000 0.519 41 Y N 0.682 121.025 120.300 0.072 0.000 2.200 41 Y HA -0.136 4.413 4.550 -0.002 0.000 0.290 41 Y C 2.764 178.905 175.900 0.400 0.000 1.137 41 Y CA 1.777 60.022 58.100 0.241 0.000 1.163 41 Y CB -0.320 38.366 38.460 0.376 0.000 0.988 41 Y HN 0.269 8.549 8.280 -0.000 0.000 0.518 42 K N 0.390 121.068 120.400 0.464 0.000 2.026 42 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 42 K C 2.248 178.919 176.600 0.119 0.000 1.048 42 K CA 1.316 57.797 56.287 0.324 0.000 0.929 42 K CB -0.400 31.972 32.500 -0.212 0.000 0.713 42 K HN 0.173 8.423 8.250 -0.000 0.000 0.439 43 A N 1.177 124.012 122.820 0.025 0.000 2.024 43 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 43 A C 2.094 179.649 177.584 -0.048 0.000 1.164 43 A CA 1.733 53.764 52.037 -0.011 0.000 0.643 43 A CB -0.585 18.423 19.000 0.014 0.000 0.806 43 A HN 0.593 8.743 8.150 -0.000 0.000 0.451 44 M N -1.563 117.972 119.600 -0.107 0.000 2.619 44 M HA 0.152 4.631 4.480 -0.001 0.000 0.251 44 M C 1.152 177.308 176.300 -0.240 0.000 1.106 44 M CA 1.240 56.413 55.300 -0.212 0.000 1.086 44 M CB 0.168 32.558 32.600 -0.351 0.000 1.465 44 M HN 0.576 8.866 8.290 -0.000 0.000 0.506 45 G N -0.298 108.414 108.800 -0.147 0.000 2.227 45 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.168 45 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.168 45 G C -0.170 174.681 174.900 -0.082 0.000 1.006 45 G CA -0.724 44.288 45.100 -0.146 0.000 0.684 45 G HN 0.402 8.692 8.290 -0.000 0.000 0.489 46 F N 2.989 123.061 119.950 0.203 0.000 2.600 46 F HA 0.256 4.781 4.527 -0.002 0.000 0.345 46 F C 1.701 177.749 175.800 0.412 0.000 1.271 46 F CA -0.668 57.512 58.000 0.301 0.000 1.138 46 F CB 0.157 39.390 39.000 0.387 0.000 1.449 46 F HN 0.010 8.310 8.300 -0.000 0.000 0.645 47 N N 2.137 121.122 118.700 0.475 0.000 1.997 47 N HA -0.249 4.490 4.740 -0.001 0.000 0.198 47 N C 0.368 176.191 175.510 0.521 0.000 1.070 47 N CA 1.409 54.715 53.050 0.426 0.000 0.864 47 N CB -0.299 38.370 38.487 0.302 0.000 1.066 47 N HN 0.323 8.703 8.380 -0.000 0.000 0.425 48 F N 1.249 121.303 119.950 0.173 0.000 2.404 48 F HA 0.430 4.956 4.527 -0.002 0.000 0.339 48 F C -0.476 175.191 175.800 -0.222 0.000 1.105 48 F CA -1.115 56.891 58.000 0.009 0.000 1.087 48 F CB 0.772 39.754 39.000 -0.030 0.000 1.143 48 F HN -0.083 8.217 8.300 -0.000 0.000 0.491 49 L N 7.618 128.277 121.223 -0.941 0.000 2.297 49 L HA 0.568 4.907 4.340 -0.001 0.000 0.277 49 L C 0.537 176.627 176.870 -1.299 0.000 1.040 49 L CA -0.033 54.116 54.840 -1.152 0.000 0.867 49 L CB 0.091 41.513 42.059 -1.063 0.000 1.244 49 L HN 0.837 9.067 8.230 -0.000 0.000 0.433 50 A N 3.577 125.581 122.820 -1.359 0.000 1.829 50 A HA -0.029 4.290 4.320 -0.001 0.000 0.216 50 A C 0.404 177.689 177.584 -0.498 0.000 1.207 50 A CA 1.512 52.946 52.037 -1.005 0.000 0.622 50 A CB -0.415 18.237 19.000 -0.580 0.000 0.846 50 A HN 0.697 8.847 8.150 -0.000 0.000 0.447 51 D N -3.215 116.934 120.400 -0.418 0.000 2.566 51 D HA 0.629 5.268 4.640 -0.001 0.000 0.254 51 D C -0.914 175.214 176.300 -0.286 0.000 1.090 51 D CA -0.178 53.661 54.000 -0.268 0.000 1.034 51 D CB 1.887 42.576 40.800 -0.185 0.000 1.434 51 D HN 0.334 8.704 8.370 -0.000 0.000 0.509 52 I N 0.635 121.065 120.570 -0.234 0.000 2.534 52 I HA 0.461 4.630 4.170 -0.001 0.000 0.286 52 I C -1.814 174.147 176.117 -0.259 0.000 1.094 52 I CA -0.730 60.369 61.300 -0.334 0.000 1.055 52 I CB 1.281 39.064 38.000 -0.362 0.000 1.225 52 I HN 0.147 8.357 8.210 -0.000 0.000 0.435 53 V N 7.486 127.234 119.914 -0.276 0.000 2.384 53 V HA 0.808 4.927 4.120 -0.001 0.000 0.287 53 V C 0.380 176.284 176.094 -0.317 0.000 1.020 53 V CA 0.063 62.246 62.300 -0.194 0.000 0.850 53 V CB 1.397 33.161 31.823 -0.097 0.000 0.987 53 V HN 0.864 9.054 8.190 -0.000 0.000 0.436 54 G N 6.234 114.810 108.800 -0.373 0.000 2.395 54 G HA2 0.591 4.550 3.960 -0.001 0.000 0.283 54 G HA3 0.591 4.550 3.960 -0.001 0.000 0.283 54 G C -1.283 172.989 174.900 -1.047 0.000 1.178 54 G CA -0.446 44.150 45.100 -0.841 0.000 0.837 54 G HN 0.654 8.944 8.290 -0.000 0.000 0.518 55 L N 1.725 122.376 121.223 -0.954 0.000 2.376 55 L HA 0.385 4.724 4.340 -0.001 0.000 0.275 55 L C -0.776 175.718 176.870 -0.627 0.000 0.987 55 L CA -0.685 53.705 54.840 -0.750 0.000 0.828 55 L CB 2.264 43.810 42.059 -0.855 0.000 1.249 55 L HN 0.490 8.720 8.230 -0.000 0.000 0.409 56 D N 1.291 121.506 120.400 -0.308 0.000 2.280 56 D HA 0.284 4.923 4.640 -0.001 0.000 0.236 56 D C -0.454 175.695 176.300 -0.253 0.000 1.082 56 D CA -0.015 53.860 54.000 -0.209 0.000 0.834 56 D CB 0.901 41.769 40.800 0.113 0.000 1.100 56 D HN 0.300 8.670 8.370 -0.000 0.000 0.486 57 Y N 2.993 123.182 120.300 -0.185 0.000 2.636 57 Y HA 0.175 4.724 4.550 -0.001 0.000 0.260 57 Y C 1.390 177.262 175.900 -0.046 0.000 1.177 57 Y CA -0.358 57.677 58.100 -0.108 0.000 1.209 57 Y CB 0.091 38.469 38.460 -0.137 0.000 1.166 57 Y HN 0.417 8.697 8.280 -0.000 0.000 0.531 58 L N 0.079 121.321 121.223 0.031 0.000 2.012 58 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 58 L C 1.490 178.400 176.870 0.066 0.000 1.073 58 L CA 2.135 56.978 54.840 0.006 0.000 0.748 58 L CB -0.573 41.458 42.059 -0.046 0.000 0.891 58 L HN 0.046 8.276 8.230 -0.000 0.000 0.431 59 T N -0.670 113.943 114.554 0.097 0.000 3.264 59 T HA 0.115 4.464 4.350 -0.001 0.000 0.257 59 T C -0.598 174.177 174.700 0.125 0.000 0.976 59 T CA -0.178 61.974 62.100 0.086 0.000 0.908 59 T CB -0.708 68.199 68.868 0.065 0.000 1.082 59 T HN 0.126 8.366 8.240 -0.000 0.000 0.567 60 Y N 3.660 123.987 120.300 0.044 0.000 2.327 60 Y HA 0.281 4.830 4.550 -0.001 0.000 0.336 60 Y C -1.450 174.447 175.900 -0.004 0.000 1.035 60 Y CA -2.597 55.526 58.100 0.039 0.000 1.165 60 Y CB 1.405 39.908 38.460 0.071 0.000 1.181 60 Y HN 0.008 8.288 8.280 -0.000 0.000 0.494 61 P HA -0.161 4.259 4.420 -0.000 0.000 0.215 61 P C -0.515 176.701 177.300 -0.140 0.000 1.157 61 P CA 1.455 64.401 63.100 -0.256 0.000 0.874 61 P CB 0.321 31.812 31.700 -0.348 0.000 0.790 62 D N 1.048 121.374 120.400 -0.123 0.000 2.264 62 D HA 0.231 4.871 4.640 -0.001 0.000 0.249 62 D C -2.104 174.260 176.300 0.107 0.000 1.070 62 D CA -1.716 52.305 54.000 0.034 0.000 0.912 62 D CB 0.401 41.247 40.800 0.077 0.000 1.193 62 D HN 0.183 8.553 8.370 -0.000 0.000 0.427 63 P HA 0.210 4.630 4.420 -0.000 0.000 0.275 63 P C -0.262 176.979 177.300 -0.098 0.000 1.227 63 P CA -0.476 62.608 63.100 -0.026 0.000 0.781 63 P CB 1.171 32.849 31.700 -0.038 0.000 0.906 64 R N 2.850 123.264 120.500 -0.145 0.000 2.854 64 R HA 0.401 4.740 4.340 -0.001 0.000 0.271 64 R C -1.553 174.604 176.300 -0.237 0.000 0.994 64 R CA -2.154 53.798 56.100 -0.247 0.000 0.945 64 R CB -0.666 29.431 30.300 -0.338 0.000 1.194 64 R HN 0.223 8.493 8.270 -0.000 0.000 0.476 65 P HA -0.157 4.263 4.420 -0.000 0.000 0.217 65 P C -0.246 176.952 177.300 -0.170 0.000 1.162 65 P CA 1.622 64.489 63.100 -0.389 0.000 0.901 65 P CB 0.410 31.647 31.700 -0.771 0.000 0.793 66 E N -4.175 115.997 120.200 -0.045 0.000 2.446 66 E HA 0.339 4.688 4.350 -0.001 0.000 0.276 66 E C 0.795 177.480 176.600 0.141 0.000 0.969 66 E CA -0.772 55.670 56.400 0.071 0.000 0.800 66 E CB 1.041 30.806 29.700 0.108 0.000 1.341 66 E HN -0.292 8.068 8.360 -0.000 0.000 0.460 67 R N 0.599 121.132 120.500 0.055 0.000 2.070 67 R HA 0.035 4.374 4.340 -0.001 0.000 0.233 67 R C -0.067 176.114 176.300 -0.198 0.000 1.137 67 R CA 1.176 57.206 56.100 -0.116 0.000 0.945 67 R CB -0.089 30.004 30.300 -0.344 0.000 0.845 67 R HN 0.342 8.612 8.270 -0.000 0.000 0.430 68 F N -0.234 119.741 119.950 0.041 0.000 2.399 68 F HA 0.593 5.119 4.527 -0.001 0.000 0.328 68 F C 0.222 175.948 175.800 -0.123 0.000 1.084 68 F CA -0.558 57.387 58.000 -0.093 0.000 1.053 68 F CB 1.849 40.770 39.000 -0.132 0.000 1.209 68 F HN 0.125 8.425 8.300 -0.000 0.000 0.502 69 A N 1.090 123.830 122.820 -0.133 0.000 2.589 69 A HA 0.753 5.073 4.320 -0.001 0.000 0.296 69 A C -1.862 175.486 177.584 -0.393 0.000 1.062 69 A CA -0.692 51.167 52.037 -0.295 0.000 0.686 69 A CB 1.264 19.948 19.000 -0.527 0.000 1.282 69 A HN 0.482 8.632 8.150 -0.000 0.000 0.404 70 V N 1.286 120.981 119.914 -0.366 0.000 2.555 70 V HA 0.647 4.766 4.120 -0.001 0.000 0.302 70 V C -0.370 175.467 176.094 -0.428 0.000 1.038 70 V CA -0.598 61.447 62.300 -0.424 0.000 0.887 70 V CB 1.696 33.285 31.823 -0.389 0.000 0.991 70 V HN 0.743 8.933 8.190 -0.000 0.000 0.434 71 V N 4.464 124.110 119.914 -0.446 0.000 2.555 71 V HA 0.564 4.683 4.120 -0.001 0.000 0.302 71 V C -1.157 174.647 176.094 -0.483 0.000 1.038 71 V CA -0.666 61.477 62.300 -0.261 0.000 0.887 71 V CB 1.823 33.672 31.823 0.044 0.000 0.991 71 V HN 0.764 8.954 8.190 -0.000 0.000 0.434 72 Y N 1.570 121.737 120.300 -0.222 0.000 2.509 72 Y HA 0.569 5.118 4.550 -0.001 0.000 0.341 72 Y C 0.226 175.743 175.900 -0.638 0.000 1.038 72 Y CA -0.882 56.983 58.100 -0.392 0.000 1.089 72 Y CB 1.752 39.973 38.460 -0.399 0.000 1.241 72 Y HN 0.562 8.842 8.280 -0.000 0.000 0.468 73 E N 3.146 122.978 120.200 -0.612 0.000 2.207 73 E HA 0.426 4.775 4.350 -0.001 0.000 0.250 73 E C -1.730 174.361 176.600 -0.849 0.000 0.890 73 E CA -0.326 55.521 56.400 -0.922 0.000 0.749 73 E CB 0.539 29.685 29.700 -0.923 0.000 1.193 73 E HN 0.590 8.950 8.360 -0.000 0.000 0.423 74 L N 3.901 124.568 121.223 -0.927 0.000 2.307 74 L HA 0.593 4.932 4.340 -0.001 0.000 0.282 74 L C -0.314 176.311 176.870 -0.409 0.000 1.051 74 L CA -0.795 53.567 54.840 -0.796 0.000 0.804 74 L CB 1.326 42.797 42.059 -0.979 0.000 1.197 74 L HN 0.238 8.468 8.230 -0.000 0.000 0.431 75 V N 0.588 120.452 119.914 -0.082 0.000 3.167 75 V HA 0.510 4.629 4.120 -0.001 0.000 0.310 75 V C -0.476 175.921 176.094 0.505 0.000 1.207 75 V CA -0.681 61.766 62.300 0.245 0.000 1.059 75 V CB 2.363 34.298 31.823 0.186 0.000 1.079 75 V HN 0.732 8.922 8.190 -0.000 0.000 0.446 76 S N 2.027 117.958 115.700 0.385 0.000 2.664 76 S HA 0.509 4.978 4.470 -0.001 0.000 0.262 76 S C -0.505 174.210 174.600 0.192 0.000 1.229 76 S CA -0.454 57.903 58.200 0.262 0.000 1.151 76 S CB 0.553 63.825 63.200 0.119 0.000 1.054 76 S HN 0.543 8.853 8.310 -0.000 0.000 0.483 77 L N 3.934 125.265 121.223 0.180 0.000 2.640 77 L HA 0.022 4.362 4.340 -0.001 0.000 0.280 77 L C -1.473 175.469 176.870 0.120 0.000 1.229 77 L CA -0.710 54.192 54.840 0.103 0.000 0.919 77 L CB 0.344 42.403 42.059 0.000 0.000 1.168 77 L HN 0.374 8.604 8.230 -0.000 0.000 0.496 78 P HA -0.051 4.369 4.420 -0.000 0.000 0.234 78 P C 1.110 178.468 177.300 0.096 0.000 1.167 78 P CA 0.603 63.752 63.100 0.081 0.000 0.763 78 P CB 0.328 32.061 31.700 0.056 0.000 0.835 79 G N -2.769 106.096 108.800 0.108 0.000 3.284 79 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.236 79 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.236 79 G C 0.204 175.316 174.900 0.352 0.000 1.158 79 G CA -0.237 44.951 45.100 0.146 0.000 0.774 79 G HN 0.251 8.541 8.290 -0.000 0.000 0.545 80 W N -0.041 121.254 121.300 -0.008 0.000 2.411 80 W HA 0.326 4.985 4.660 -0.003 0.000 0.635 80 W C 1.294 177.810 176.519 -0.005 0.000 1.546 80 W CA -0.591 56.751 57.345 -0.005 0.000 0.928 80 W CB 0.696 30.159 29.460 0.005 0.000 3.383 80 W HN -0.067 8.113 8.180 -0.000 0.000 0.732 81 K N 0.400 120.712 120.400 -0.146 0.000 1.995 81 K HA -0.108 4.211 4.320 -0.001 0.000 0.217 81 K C 0.451 177.005 176.600 -0.077 0.000 1.030 81 K CA 1.227 57.367 56.287 -0.246 0.000 0.971 81 K CB -0.835 31.479 32.500 -0.309 0.000 0.775 81 K HN 0.246 8.496 8.250 -0.000 0.000 0.446 82 D N 0.962 121.339 120.400 -0.038 0.000 3.088 82 D HA 0.149 4.789 4.640 -0.001 0.000 0.310 82 D C -0.147 176.162 176.300 0.015 0.000 1.351 82 D CA -0.409 53.581 54.000 -0.017 0.000 0.921 82 D CB 0.108 40.885 40.800 -0.038 0.000 1.045 82 D HN 0.257 8.627 8.370 -0.000 0.000 0.504 83 G N 0.395 109.231 108.800 0.059 0.000 2.390 83 G HA2 0.277 4.236 3.960 -0.001 0.000 0.270 83 G HA3 0.277 4.236 3.960 -0.001 0.000 0.270 83 G C 0.110 175.037 174.900 0.045 0.000 1.211 83 G CA -0.503 44.642 45.100 0.075 0.000 0.842 83 G HN -0.008 8.282 8.290 -0.000 0.000 0.519 84 D N 0.710 121.129 120.400 0.031 0.000 2.202 84 D HA 0.220 4.859 4.640 -0.001 0.000 0.214 84 D C 1.892 178.222 176.300 0.051 0.000 0.967 84 D CA 1.325 55.340 54.000 0.026 0.000 0.871 84 D CB 0.116 40.919 40.800 0.005 0.000 1.020 84 D HN 0.851 9.221 8.370 -0.000 0.000 0.474 85 G N 0.129 108.976 108.800 0.078 0.000 2.143 85 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.175 85 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.175 85 G C 0.060 175.029 174.900 0.115 0.000 1.004 85 G CA 0.111 45.266 45.100 0.093 0.000 0.671 85 G HN 0.519 8.809 8.290 -0.000 0.000 0.512 86 S N 0.035 115.818 115.700 0.139 0.000 2.455 86 S HA 0.667 5.136 4.470 -0.001 0.000 0.278 86 S C 0.224 175.033 174.600 0.348 0.000 1.216 86 S CA -0.008 58.310 58.200 0.196 0.000 1.055 86 S CB 1.967 65.257 63.200 0.150 0.000 0.939 86 S HN 0.918 9.228 8.310 -0.000 0.000 0.494 87 R N 2.300 122.954 120.500 0.257 0.000 2.854 87 R HA 0.806 5.145 4.340 -0.001 0.000 0.271 87 R C -1.351 175.113 176.300 0.274 0.000 0.994 87 R CA -0.882 55.338 56.100 0.201 0.000 0.945 87 R CB 1.252 31.584 30.300 0.053 0.000 1.194 87 R HN 0.795 9.065 8.270 -0.000 0.000 0.476 88 F N -0.402 119.385 119.950 -0.272 0.000 2.878 88 F HA 0.509 5.035 4.527 -0.002 0.000 0.322 88 F C -2.459 173.077 175.800 -0.440 0.000 1.154 88 F CA -1.795 56.064 58.000 -0.235 0.000 0.896 88 F CB 0.568 39.507 39.000 -0.101 0.000 1.313 88 F HN 0.274 8.574 8.300 -0.000 0.000 0.451 89 F N 2.148 121.655 119.950 -0.739 0.000 2.443 89 F HA 0.713 5.239 4.527 -0.001 0.000 0.335 89 F C -0.086 175.342 175.800 -0.620 0.000 1.104 89 F CA -1.281 56.225 58.000 -0.824 0.000 1.013 89 F CB 1.874 40.193 39.000 -1.134 0.000 1.136 89 F HN 0.598 8.898 8.300 -0.000 0.000 0.470 90 V N 4.786 124.504 119.914 -0.327 0.000 2.540 90 V HA 0.668 4.787 4.120 -0.001 0.000 0.302 90 V C -0.899 175.244 176.094 0.082 0.000 1.035 90 V CA -0.599 61.631 62.300 -0.117 0.000 0.873 90 V CB 1.621 33.267 31.823 -0.295 0.000 0.992 90 V HN 0.891 9.081 8.190 -0.000 0.000 0.428 91 R N 4.952 125.519 120.500 0.110 0.000 2.637 91 R HA 0.852 5.191 4.340 -0.001 0.000 0.291 91 R C -1.612 174.640 176.300 -0.081 0.000 0.963 91 R CA -0.468 55.642 56.100 0.016 0.000 0.901 91 R CB 2.196 32.508 30.300 0.019 0.000 1.160 91 R HN 0.868 9.138 8.270 -0.000 0.000 0.457 92 V N 1.248 121.045 119.914 -0.196 0.000 2.488 92 V HA 0.423 4.542 4.120 -0.001 0.000 0.293 92 V C -0.992 174.996 176.094 -0.177 0.000 1.027 92 V CA -1.125 61.063 62.300 -0.187 0.000 0.862 92 V CB 0.612 32.203 31.823 -0.387 0.000 1.008 92 V HN 0.643 8.833 8.190 -0.000 0.000 0.428 93 Y N 2.883 123.147 120.300 -0.059 0.000 2.457 93 Y HA 0.587 5.136 4.550 -0.001 0.000 0.341 93 Y C 0.582 176.464 175.900 -0.030 0.000 1.240 93 Y CA 0.023 58.109 58.100 -0.023 0.000 1.437 93 Y CB 1.190 39.648 38.460 -0.003 0.000 1.328 93 Y HN 0.556 8.836 8.280 -0.000 0.000 0.588 94 V N 4.226 124.227 119.914 0.145 0.000 2.668 94 V HA 0.303 4.422 4.120 -0.001 0.000 0.304 94 V C -2.386 173.795 176.094 0.145 0.000 1.071 94 V CA -2.348 59.999 62.300 0.079 0.000 0.894 94 V CB 2.070 33.881 31.823 -0.020 0.000 1.008 94 V HN 0.551 8.741 8.190 -0.000 0.000 0.425 95 P HA 0.054 4.474 4.420 -0.000 0.000 0.267 95 P C 0.764 178.176 177.300 0.187 0.000 1.201 95 P CA 0.257 63.427 63.100 0.117 0.000 0.775 95 P CB 0.883 32.623 31.700 0.067 0.000 0.854 96 E N 1.437 121.763 120.200 0.210 0.000 2.106 96 E HA -0.221 4.128 4.350 -0.001 0.000 0.192 96 E C 1.383 178.090 176.600 0.177 0.000 0.984 96 E CA 0.923 57.513 56.400 0.318 0.000 0.806 96 E CB 0.106 29.938 29.700 0.220 0.000 0.750 96 E HN 0.520 8.880 8.360 -0.000 0.000 0.458 97 E N -0.039 120.220 120.200 0.099 0.000 2.481 97 E HA -0.095 4.254 4.350 -0.001 0.000 0.195 97 E C -0.418 176.194 176.600 0.021 0.000 1.047 97 E CA 0.265 56.698 56.400 0.055 0.000 0.867 97 E CB 0.401 30.129 29.700 0.046 0.000 0.858 97 E HN -0.024 8.336 8.360 -0.000 0.000 0.513 98 D N 0.071 120.478 120.400 0.010 0.000 2.405 98 D HA 0.117 4.757 4.640 -0.001 0.000 0.264 98 D C -2.332 173.927 176.300 -0.068 0.000 1.240 98 D CA -1.882 52.106 54.000 -0.020 0.000 0.893 98 D CB 1.288 42.088 40.800 0.000 0.000 1.198 98 D HN -0.038 8.332 8.370 -0.000 0.000 0.514 99 P HA 0.023 4.443 4.420 -0.000 0.000 0.285 99 P C -0.318 176.841 177.300 -0.235 0.000 1.521 99 P CA 0.032 62.982 63.100 -0.250 0.000 0.792 99 P CB -0.231 31.279 31.700 -0.317 0.000 1.613 100 R N 0.550 120.959 120.500 -0.151 0.000 2.368 100 R HA 0.650 4.989 4.340 -0.001 0.000 0.302 100 R C -0.527 175.703 176.300 -0.116 0.000 1.002 100 R CA -0.759 55.264 56.100 -0.127 0.000 0.929 100 R CB 1.048 31.318 30.300 -0.050 0.000 1.073 100 R HN 0.022 8.292 8.270 -0.000 0.000 0.464 101 L N 4.713 125.863 121.223 -0.122 0.000 2.710 101 L HA 0.330 4.669 4.340 -0.001 0.000 0.262 101 L C -2.561 174.435 176.870 0.211 0.000 0.940 101 L CA -1.792 53.052 54.840 0.007 0.000 0.944 101 L CB 2.119 44.107 42.059 -0.118 0.000 1.348 101 L HN 0.468 8.698 8.230 -0.000 0.000 0.425 102 P HA 0.100 4.520 4.420 -0.000 0.000 0.269 102 P C -0.531 177.022 177.300 0.421 0.000 1.211 102 P CA -0.030 63.253 63.100 0.305 0.000 0.781 102 P CB 0.186 32.021 31.700 0.225 0.000 0.877 103 T N -2.290 112.439 114.554 0.291 0.000 2.899 103 T HA 0.283 4.633 4.350 -0.001 0.000 0.284 103 T C 0.898 175.676 174.700 0.131 0.000 1.004 103 T CA -0.670 61.563 62.100 0.221 0.000 1.043 103 T CB 0.348 69.325 68.868 0.182 0.000 1.013 103 T HN 0.148 8.388 8.240 -0.000 0.000 0.518 104 V N 0.982 120.964 119.914 0.114 0.000 3.376 104 V HA 0.105 4.225 4.120 -0.001 0.000 0.313 104 V C 2.180 178.341 176.094 0.111 0.000 1.393 104 V CA -0.062 62.302 62.300 0.106 0.000 1.125 104 V CB -1.234 30.712 31.823 0.205 0.000 1.037 104 V HN 1.050 9.240 8.190 -0.000 0.000 0.440 105 T N 0.891 115.502 114.554 0.095 0.000 2.803 105 T HA -0.202 4.148 4.350 -0.001 0.000 0.269 105 T C 1.548 176.257 174.700 0.015 0.000 1.052 105 T CA 2.018 64.167 62.100 0.080 0.000 1.136 105 T CB -0.294 68.626 68.868 0.086 0.000 0.864 105 T HN 0.565 8.805 8.240 -0.000 0.000 0.467 106 D N 1.055 121.443 120.400 -0.021 0.000 2.182 106 D HA -0.054 4.585 4.640 -0.001 0.000 0.201 106 D C 1.760 177.976 176.300 -0.139 0.000 0.986 106 D CA 0.955 54.913 54.000 -0.069 0.000 0.847 106 D CB -0.151 40.602 40.800 -0.078 0.000 0.942 106 D HN 0.346 8.716 8.370 -0.000 0.000 0.467 107 L N -1.844 119.254 121.223 -0.208 0.000 2.356 107 L HA 0.159 4.498 4.340 -0.001 0.000 0.193 107 L C 0.801 177.342 176.870 -0.548 0.000 1.087 107 L CA 0.521 55.051 54.840 -0.516 0.000 0.817 107 L CB -0.385 41.150 42.059 -0.873 0.000 1.035 107 L HN 0.011 8.241 8.230 -0.000 0.000 0.482 108 W N -0.111 121.177 121.300 -0.019 0.000 2.606 108 W HA 0.519 5.179 4.660 0.000 0.000 0.332 108 W C 0.937 177.454 176.519 -0.003 0.000 1.052 108 W CA -0.629 56.708 57.345 -0.012 0.000 1.223 108 W CB 1.428 30.864 29.460 -0.039 0.000 1.383 108 W HN 0.087 8.267 8.180 -0.000 0.000 0.524 109 G N 0.310 109.238 108.800 0.212 0.000 2.777 109 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.211 109 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.211 109 G C 1.247 176.223 174.900 0.127 0.000 1.149 109 G CA 0.357 45.535 45.100 0.131 0.000 0.785 109 G HN 0.411 8.701 8.290 -0.000 0.000 0.536 110 S N 1.397 117.179 115.700 0.138 0.000 2.383 110 S HA -0.020 4.449 4.470 -0.001 0.000 0.227 110 S C 2.638 177.282 174.600 0.073 0.000 1.026 110 S CA 0.881 59.123 58.200 0.070 0.000 0.981 110 S CB -0.260 62.939 63.200 -0.002 0.000 0.818 110 S HN 0.511 8.821 8.310 -0.000 0.000 0.472 111 A N 2.023 124.899 122.820 0.094 0.000 2.272 111 A HA -0.159 4.160 4.320 -0.001 0.000 0.213 111 A C 1.770 179.406 177.584 0.087 0.000 1.183 111 A CA 1.357 53.431 52.037 0.062 0.000 0.719 111 A CB -0.763 18.300 19.000 0.104 0.000 0.771 111 A HN 0.476 8.626 8.150 -0.000 0.000 0.484 112 N N -0.235 118.584 118.700 0.197 0.000 2.054 112 N HA -0.114 4.625 4.740 -0.001 0.000 0.193 112 N C 1.192 176.913 175.510 0.352 0.000 1.066 112 N CA 1.800 55.070 53.050 0.367 0.000 0.853 112 N CB -0.524 38.174 38.487 0.351 0.000 1.048 112 N HN 0.280 8.660 8.380 -0.000 0.000 0.431 113 F N 0.692 120.679 119.950 0.061 0.000 2.234 113 F HA 0.091 4.617 4.527 -0.002 0.000 0.299 113 F C 2.191 177.980 175.800 -0.019 0.000 1.087 113 F CA 0.469 58.488 58.000 0.031 0.000 1.340 113 F CB -0.530 38.487 39.000 0.027 0.000 1.031 113 F HN 0.099 8.399 8.300 -0.000 0.000 0.500 114 L N -0.661 120.646 121.223 0.140 0.000 2.156 114 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 114 L C 2.221 179.038 176.870 -0.089 0.000 1.095 114 L CA 1.253 56.103 54.840 0.016 0.000 0.770 114 L CB -0.415 41.626 42.059 -0.030 0.000 0.914 114 L HN 0.102 8.332 8.230 -0.000 0.000 0.439 115 E N -0.500 119.561 120.200 -0.230 0.000 2.216 115 E HA -0.125 4.224 4.350 -0.001 0.000 0.192 115 E C 2.242 178.687 176.600 -0.258 0.000 0.988 115 E CA 0.407 56.482 56.400 -0.541 0.000 0.834 115 E CB 0.204 29.256 29.700 -1.080 0.000 0.772 115 E HN 0.388 8.748 8.360 -0.000 0.000 0.479 116 R N 0.539 120.930 120.500 -0.181 0.000 2.119 116 R HA -0.066 4.273 4.340 -0.001 0.000 0.222 116 R C 2.226 178.597 176.300 0.118 0.000 1.088 116 R CA 0.818 56.913 56.100 -0.007 0.000 0.984 116 R CB 0.018 30.283 30.300 -0.059 0.000 0.884 116 R HN 0.146 8.416 8.270 -0.000 0.000 0.447 117 E N 0.633 120.872 120.200 0.065 0.000 2.072 117 E HA -0.142 4.207 4.350 -0.001 0.000 0.191 117 E C 1.620 178.311 176.600 0.152 0.000 0.985 117 E CA 1.016 57.465 56.400 0.082 0.000 0.801 117 E CB 0.227 29.967 29.700 0.067 0.000 0.750 117 E HN 0.074 8.434 8.360 -0.000 0.000 0.452 118 V N 0.763 120.793 119.914 0.195 0.000 2.913 118 V HA -0.192 3.927 4.120 -0.001 0.000 0.260 118 V C 1.755 178.066 176.094 0.361 0.000 1.098 118 V CA 1.579 64.064 62.300 0.308 0.000 1.121 118 V CB -0.536 31.428 31.823 0.235 0.000 0.714 118 V HN 0.421 8.611 8.190 -0.000 0.000 0.487 119 Y N 0.533 120.962 120.300 0.215 0.000 2.343 119 Y HA 0.005 4.555 4.550 -0.000 0.000 0.294 119 Y C 2.193 178.163 175.900 0.115 0.000 1.122 119 Y CA 1.506 59.686 58.100 0.134 0.000 1.173 119 Y CB -0.110 38.446 38.460 0.160 0.000 1.077 119 Y HN 0.292 8.572 8.280 -0.000 0.000 0.542 120 D N 0.523 120.905 120.400 -0.031 0.000 2.078 120 D HA -0.178 4.462 4.640 -0.001 0.000 0.193 120 D C 2.025 178.257 176.300 -0.114 0.000 0.990 120 D CA 2.097 56.013 54.000 -0.141 0.000 0.827 120 D CB -0.275 40.502 40.800 -0.038 0.000 0.975 120 D HN 0.454 8.824 8.370 -0.000 0.000 0.451 121 L N -1.190 119.966 121.223 -0.112 0.000 2.131 121 L HA 0.035 4.374 4.340 -0.001 0.000 0.206 121 L C 0.557 177.145 176.870 -0.469 0.000 1.087 121 L CA 0.334 54.994 54.840 -0.300 0.000 0.767 121 L CB -0.276 41.572 42.059 -0.352 0.000 0.917 121 L HN -0.066 8.164 8.230 -0.000 0.000 0.441 122 F N -1.012 118.873 119.950 -0.108 0.000 2.470 122 F HA 0.422 4.948 4.527 -0.002 0.000 0.329 122 F C 1.279 176.751 175.800 -0.547 0.000 1.072 122 F CA -0.829 57.038 58.000 -0.221 0.000 0.989 122 F CB 0.966 39.873 39.000 -0.155 0.000 1.193 122 F HN -0.271 8.029 8.300 -0.000 0.000 0.481 123 G N 1.840 110.161 108.800 -0.799 0.000 3.234 123 G HA2 0.117 4.076 3.960 -0.001 0.000 0.221 123 G HA3 0.117 4.076 3.960 -0.001 0.000 0.221 123 G C 0.331 174.856 174.900 -0.624 0.000 1.229 123 G CA -0.015 44.289 45.100 -1.326 0.000 0.909 123 G HN 0.439 8.729 8.290 -0.000 0.000 0.510 124 I N 1.614 121.935 120.570 -0.414 0.000 2.396 124 I HA 0.094 4.263 4.170 -0.001 0.000 0.289 124 I C -0.017 175.938 176.117 -0.270 0.000 1.056 124 I CA -0.325 60.735 61.300 -0.400 0.000 1.365 124 I CB 1.498 39.208 38.000 -0.483 0.000 1.407 124 I HN -0.228 7.982 8.210 -0.000 0.000 0.509 125 V N 7.673 127.406 119.914 -0.302 0.000 2.509 125 V HA 0.262 4.381 4.120 -0.001 0.000 0.284 125 V C -0.315 175.516 176.094 -0.439 0.000 1.047 125 V CA -0.360 61.812 62.300 -0.214 0.000 0.952 125 V CB 1.136 32.906 31.823 -0.088 0.000 0.988 125 V HN 0.357 8.547 8.190 -0.000 0.000 0.469 126 F N 2.327 122.237 119.950 -0.067 0.000 2.375 126 F HA 0.375 4.901 4.527 -0.001 0.000 0.361 126 F C 0.798 176.604 175.800 0.010 0.000 1.117 126 F CA -0.709 57.281 58.000 -0.017 0.000 1.037 126 F CB 1.191 40.166 39.000 -0.041 0.000 1.192 126 F HN 0.434 8.734 8.300 -0.000 0.000 0.452 127 E N 2.836 123.139 120.200 0.172 0.000 2.463 127 E HA 0.154 4.504 4.350 -0.001 0.000 0.248 127 E C 1.063 177.744 176.600 0.134 0.000 1.106 127 E CA 0.651 57.123 56.400 0.119 0.000 0.946 127 E CB 0.371 30.128 29.700 0.095 0.000 0.971 127 E HN 0.987 9.347 8.360 -0.000 0.000 0.478 128 G N 3.085 111.950 108.800 0.109 0.000 2.134 128 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.209 128 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.209 128 G C 0.180 175.141 174.900 0.102 0.000 0.993 128 G CA -0.025 45.126 45.100 0.084 0.000 0.669 128 G HN 0.726 9.016 8.290 -0.000 0.000 0.519 129 H N 1.275 120.363 119.070 0.030 0.000 2.764 129 H HA 0.235 4.792 4.556 0.000 0.000 0.341 129 H C -0.439 174.881 175.328 -0.013 0.000 1.072 129 H CA -0.544 55.507 56.048 0.004 0.000 1.444 129 H CB 1.242 31.000 29.762 -0.006 0.000 1.458 129 H HN 0.035 8.315 8.280 -0.000 0.000 0.572 130 P HA -0.205 4.215 4.420 -0.000 0.000 0.222 130 P C -0.557 176.623 177.300 -0.200 0.000 1.159 130 P CA 1.786 64.698 63.100 -0.314 0.000 0.920 130 P CB 0.187 31.646 31.700 -0.402 0.000 0.793 131 D N -2.710 117.567 120.400 -0.205 0.000 2.419 131 D HA 0.049 4.688 4.640 -0.001 0.000 0.219 131 D C -0.781 175.609 176.300 0.151 0.000 1.349 131 D CA -0.272 53.721 54.000 -0.012 0.000 0.964 131 D CB -0.227 40.555 40.800 -0.030 0.000 1.463 131 D HN -0.019 8.351 8.370 -0.000 0.000 0.573 132 L N 2.645 123.922 121.223 0.090 0.000 2.448 132 L HA 0.233 4.573 4.340 -0.001 0.000 0.278 132 L C 0.354 177.171 176.870 -0.088 0.000 1.201 132 L CA 0.190 54.959 54.840 -0.118 0.000 1.036 132 L CB -0.229 41.536 42.059 -0.490 0.000 1.325 132 L HN 0.152 8.382 8.230 -0.000 0.000 0.441 133 R N 2.421 122.950 120.500 0.048 0.000 2.637 133 R HA 0.355 4.695 4.340 -0.001 0.000 0.291 133 R C -0.336 176.060 176.300 0.160 0.000 0.963 133 R CA -1.115 55.051 56.100 0.109 0.000 0.901 133 R CB 2.156 32.481 30.300 0.042 0.000 1.160 133 R HN 0.229 8.499 8.270 -0.000 0.000 0.457 134 K N 1.605 122.106 120.400 0.169 0.000 2.586 134 K HA -0.103 4.216 4.320 -0.001 0.000 0.280 134 K C 0.402 177.011 176.600 0.015 0.000 0.972 134 K CA 0.583 56.919 56.287 0.082 0.000 1.040 134 K CB 0.425 32.933 32.500 0.014 0.000 0.870 134 K HN 0.541 8.791 8.250 -0.000 0.000 0.497 135 I N 3.058 123.621 120.570 -0.011 0.000 3.132 135 I HA -0.109 4.060 4.170 -0.001 0.000 0.255 135 I C 1.414 177.507 176.117 -0.040 0.000 1.118 135 I CA 0.309 61.576 61.300 -0.055 0.000 1.463 135 I CB 0.064 38.020 38.000 -0.072 0.000 1.356 135 I HN 0.600 8.810 8.210 -0.000 0.000 0.463 136 L N 0.060 121.263 121.223 -0.033 0.000 2.500 136 L HA 0.102 4.442 4.340 -0.001 0.000 0.219 136 L C 1.005 177.850 176.870 -0.041 0.000 1.057 136 L CA 0.204 55.027 54.840 -0.028 0.000 0.854 136 L CB 0.076 42.122 42.059 -0.021 0.000 1.078 136 L HN 0.248 8.478 8.230 -0.000 0.000 0.480 137 T N -0.656 113.860 114.554 -0.063 0.000 2.832 137 T HA 0.307 4.656 4.350 -0.001 0.000 0.296 137 T C -2.387 172.275 174.700 -0.063 0.000 0.968 137 T CA -1.845 60.208 62.100 -0.079 0.000 1.107 137 T CB 0.603 69.391 68.868 -0.133 0.000 0.916 137 T HN -0.136 8.104 8.240 -0.000 0.000 0.517 138 P HA -0.065 4.354 4.420 -0.000 0.000 0.269 138 P C 0.794 178.070 177.300 -0.041 0.000 1.185 138 P CA 0.219 63.298 63.100 -0.035 0.000 0.769 138 P CB 0.614 32.298 31.700 -0.028 0.000 0.809 139 E N 2.292 122.475 120.200 -0.029 0.000 2.058 139 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 139 E C 1.283 177.864 176.600 -0.031 0.000 0.997 139 E CA 2.147 58.531 56.400 -0.026 0.000 0.801 139 E CB -0.593 29.099 29.700 -0.015 0.000 0.746 139 E HN 0.533 8.893 8.360 -0.000 0.000 0.450 140 D N -0.053 120.330 120.400 -0.028 0.000 2.355 140 D HA -0.110 4.530 4.640 -0.001 0.000 0.218 140 D C 0.637 176.916 176.300 -0.036 0.000 1.004 140 D CA -0.192 53.792 54.000 -0.027 0.000 0.880 140 D CB -0.425 40.365 40.800 -0.017 0.000 0.911 140 D HN 0.231 8.601 8.370 -0.000 0.000 0.528 141 L N 1.630 122.824 121.223 -0.048 0.000 2.559 141 L HA -0.001 4.338 4.340 -0.001 0.000 0.274 141 L C 0.257 177.071 176.870 -0.092 0.000 1.205 141 L CA 0.518 55.325 54.840 -0.056 0.000 0.907 141 L CB 0.424 42.436 42.059 -0.079 0.000 1.153 141 L HN -0.074 8.156 8.230 -0.000 0.000 0.490 142 E N 4.280 124.448 120.200 -0.054 0.000 2.166 142 E HA 0.558 4.908 4.350 -0.001 0.000 0.275 142 E C 0.139 176.686 176.600 -0.088 0.000 0.941 142 E CA 0.309 56.661 56.400 -0.080 0.000 0.784 142 E CB 1.113 30.797 29.700 -0.026 0.000 1.115 142 E HN 0.892 9.252 8.360 -0.000 0.000 0.399 143 G N 3.629 112.261 108.800 -0.280 0.000 2.416 143 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.203 143 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.203 143 G C -1.092 173.265 174.900 -0.905 0.000 1.227 143 G CA -0.738 44.150 45.100 -0.353 0.000 1.041 143 G HN 0.659 8.949 8.290 -0.000 0.000 0.546 144 H N 0.741 119.572 119.070 -0.398 0.000 3.198 144 H HA 0.282 4.837 4.556 -0.002 0.000 0.317 144 H C -1.950 172.956 175.328 -0.703 0.000 1.178 144 H CA -0.668 55.088 56.048 -0.487 0.000 1.609 144 H CB 2.192 31.765 29.762 -0.315 0.000 1.819 144 H HN 0.320 8.600 8.280 -0.000 0.000 0.533 145 P HA -0.182 4.238 4.420 -0.000 0.000 0.214 145 P C 1.578 178.660 177.300 -0.363 0.000 1.163 145 P CA 0.557 63.177 63.100 -0.800 0.000 0.889 145 P CB 0.829 32.229 31.700 -0.501 0.000 0.790 146 L N -0.319 120.623 121.223 -0.469 0.000 2.549 146 L HA -0.026 4.314 4.340 -0.001 0.000 0.229 146 L C 1.421 178.018 176.870 -0.454 0.000 1.158 146 L CA 0.795 55.320 54.840 -0.525 0.000 0.842 146 L CB -1.018 40.515 42.059 -0.876 0.000 0.952 146 L HN 0.076 8.306 8.230 -0.000 0.000 0.452 147 R N -0.346 119.976 120.500 -0.297 0.000 2.357 147 R HA 0.139 4.479 4.340 -0.001 0.000 0.296 147 R C 0.876 177.230 176.300 0.091 0.000 1.052 147 R CA -0.727 55.397 56.100 0.039 0.000 0.988 147 R CB 0.760 31.213 30.300 0.255 0.000 1.025 147 R HN -0.190 8.080 8.270 -0.000 0.000 0.469 148 K N 1.880 122.340 120.400 0.099 0.000 2.090 148 K HA -0.216 4.103 4.320 -0.001 0.000 0.218 148 K C 1.086 177.742 176.600 0.092 0.000 1.055 148 K CA 2.398 58.734 56.287 0.082 0.000 0.941 148 K CB -0.494 32.043 32.500 0.062 0.000 0.722 148 K HN 0.865 9.115 8.250 -0.000 0.000 0.458 149 D N -1.152 119.311 120.400 0.104 0.000 2.344 149 D HA -0.111 4.528 4.640 -0.001 0.000 0.242 149 D C -0.154 176.222 176.300 0.128 0.000 1.159 149 D CA -0.240 53.817 54.000 0.095 0.000 0.859 149 D CB -0.790 40.057 40.800 0.078 0.000 0.925 149 D HN 0.210 8.580 8.370 -0.000 0.000 0.510 150 Y N 1.345 121.654 120.300 0.016 0.000 2.328 150 Y HA 0.418 4.968 4.550 -0.001 0.000 0.337 150 Y C -2.395 173.500 175.900 -0.009 0.000 0.966 150 Y CA -2.515 55.586 58.100 0.001 0.000 1.136 150 Y CB 1.402 39.856 38.460 -0.009 0.000 1.170 150 Y HN -0.221 8.059 8.280 -0.000 0.000 0.470 151 P HA -0.047 4.373 4.420 -0.000 0.000 0.265 151 P C 0.557 177.833 177.300 -0.039 0.000 1.193 151 P CA -0.053 62.946 63.100 -0.169 0.000 0.765 151 P CB 0.903 32.441 31.700 -0.270 0.000 0.823 152 L N 3.244 124.478 121.223 0.019 0.000 2.187 152 L HA 0.025 4.364 4.340 -0.001 0.000 0.213 152 L C 1.234 178.121 176.870 0.028 0.000 1.100 152 L CA 2.044 56.913 54.840 0.048 0.000 0.765 152 L CB -1.193 40.888 42.059 0.036 0.000 0.904 152 L HN 0.748 8.978 8.230 -0.000 0.000 0.437 153 G N 0.332 109.122 108.800 -0.018 0.000 2.368 153 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.290 153 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.290 153 G C -0.047 174.845 174.900 -0.013 0.000 1.098 153 G CA 0.370 45.453 45.100 -0.030 0.000 1.073 153 G HN 0.597 8.887 8.290 -0.000 0.000 0.511 154 E N -0.049 120.145 120.200 -0.010 0.000 2.312 154 E HA 0.691 5.040 4.350 -0.001 0.000 0.259 154 E C -0.025 176.568 176.600 -0.012 0.000 1.122 154 E CA -0.525 55.873 56.400 -0.003 0.000 0.922 154 E CB 1.141 30.847 29.700 0.010 0.000 1.109 154 E HN 0.159 8.519 8.360 -0.000 0.000 0.442 155 T N 1.594 116.140 114.554 -0.013 0.000 2.876 155 T HA 0.365 4.714 4.350 -0.001 0.000 0.289 155 T C -2.483 172.210 174.700 -0.012 0.000 1.014 155 T CA -1.483 60.603 62.100 -0.022 0.000 0.986 155 T CB 1.547 70.395 68.868 -0.033 0.000 1.021 155 T HN 0.249 8.489 8.240 -0.000 0.000 0.458 156 P HA 0.203 4.623 4.420 -0.000 0.000 0.268 156 P C 0.047 177.350 177.300 0.004 0.000 1.204 156 P CA -0.260 62.858 63.100 0.032 0.000 0.768 156 P CB 0.267 31.986 31.700 0.032 0.000 0.842 157 T N 1.599 116.159 114.554 0.009 0.000 2.909 157 T HA 0.554 4.904 4.350 -0.001 0.000 0.289 157 T C -0.250 174.379 174.700 -0.119 0.000 1.005 157 T CA -0.659 61.379 62.100 -0.102 0.000 1.084 157 T CB 0.171 68.953 68.868 -0.143 0.000 0.975 157 T HN 0.141 8.381 8.240 -0.000 0.000 0.509 158 L N 2.479 123.496 121.223 -0.345 0.000 2.346 158 L HA 0.735 5.074 4.340 -0.001 0.000 0.274 158 L C -0.841 175.678 176.870 -0.586 0.000 1.007 158 L CA -1.061 53.636 54.840 -0.237 0.000 0.818 158 L CB 1.568 43.565 42.059 -0.104 0.000 1.284 158 L HN 0.647 8.877 8.230 -0.000 0.000 0.424 159 F N -0.469 119.493 119.950 0.021 0.000 2.814 159 F HA 0.539 5.065 4.527 -0.001 0.000 0.353 159 F C 1.324 177.133 175.800 0.015 0.000 1.177 159 F CA -0.938 57.066 58.000 0.006 0.000 1.036 159 F CB 0.811 39.805 39.000 -0.010 0.000 1.455 159 F HN 0.228 8.528 8.300 -0.000 0.000 0.520 160 R N 0.124 120.763 120.500 0.231 0.000 2.082 160 R HA -0.074 4.265 4.340 -0.001 0.000 0.234 160 R C -0.297 176.058 176.300 0.091 0.000 1.136 160 R CA 1.854 58.025 56.100 0.118 0.000 0.935 160 R CB -0.187 30.169 30.300 0.092 0.000 0.842 160 R HN 0.613 8.883 8.270 -0.000 0.000 0.430 161 E N -0.627 119.626 120.200 0.088 0.000 3.568 161 E HA 0.252 4.601 4.350 -0.001 0.000 0.213 161 E C -0.118 176.528 176.600 0.076 0.000 1.197 161 E CA 0.105 56.544 56.400 0.065 0.000 1.126 161 E CB 1.459 31.183 29.700 0.042 0.000 1.285 161 E HN 0.476 8.836 8.360 -0.000 0.000 0.418 162 G N 2.367 111.231 108.800 0.107 0.000 2.184 162 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.264 162 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.264 162 G C 0.358 175.375 174.900 0.196 0.000 0.975 162 G CA -0.160 45.031 45.100 0.152 0.000 0.642 162 G HN 0.386 8.676 8.290 -0.000 0.000 0.536 163 R N 0.630 121.218 120.500 0.146 0.000 2.272 163 R HA 0.470 4.809 4.340 -0.001 0.000 0.334 163 R C 0.421 176.870 176.300 0.248 0.000 1.117 163 R CA -0.095 56.053 56.100 0.081 0.000 0.966 163 R CB -0.105 30.209 30.300 0.024 0.000 1.049 163 R HN 0.625 8.895 8.270 -0.000 0.000 0.477 164 Y N 0.566 120.947 120.300 0.135 0.000 2.631 164 Y HA 0.758 5.307 4.550 -0.001 0.000 0.328 164 Y C -0.217 175.762 175.900 0.130 0.000 1.118 164 Y CA -1.498 56.712 58.100 0.184 0.000 1.206 164 Y CB 1.183 39.696 38.460 0.088 0.000 1.337 164 Y HN 0.153 8.433 8.280 -0.000 0.000 0.515 165 I N 2.263 123.015 120.570 0.304 0.000 2.533 165 I HA 0.347 4.516 4.170 -0.001 0.000 0.290 165 I C -1.109 175.105 176.117 0.161 0.000 1.056 165 I CA -0.760 60.595 61.300 0.091 0.000 1.057 165 I CB 2.212 40.151 38.000 -0.102 0.000 1.240 165 I HN 0.564 8.774 8.210 -0.000 0.000 0.423 166 I N 7.832 128.501 120.570 0.165 0.000 2.312 166 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 166 I C -1.629 174.564 176.117 0.126 0.000 1.008 166 I CA -1.620 59.773 61.300 0.155 0.000 1.226 166 I CB 1.814 39.924 38.000 0.184 0.000 1.371 166 I HN 0.324 8.534 8.210 -0.000 0.000 0.468 167 P HA -0.156 4.264 4.420 -0.000 0.000 0.216 167 P C 1.395 178.787 177.300 0.155 0.000 1.153 167 P CA 0.940 64.113 63.100 0.121 0.000 0.848 167 P CB 0.273 32.018 31.700 0.074 0.000 0.787 168 A N -0.337 122.546 122.820 0.105 0.000 2.234 168 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 168 A C 1.701 179.342 177.584 0.094 0.000 1.167 168 A CA 1.490 53.579 52.037 0.086 0.000 0.698 168 A CB -0.738 18.297 19.000 0.058 0.000 0.779 168 A HN 0.126 8.276 8.150 -0.000 0.000 0.475 169 E N -2.909 117.370 120.200 0.133 0.000 2.630 169 E HA 0.194 4.543 4.350 -0.001 0.000 0.218 169 E C 0.389 177.085 176.600 0.161 0.000 0.977 169 E CA -0.076 56.396 56.400 0.120 0.000 1.038 169 E CB 0.241 30.010 29.700 0.116 0.000 1.051 169 E HN 0.667 9.027 8.360 -0.000 0.000 0.487 170 F N 0.933 120.893 119.950 0.017 0.000 2.619 170 F HA 0.274 4.800 4.527 -0.001 0.000 0.281 170 F C 0.707 176.510 175.800 0.005 0.000 1.065 170 F CA -0.090 57.915 58.000 0.008 0.000 1.304 170 F CB 0.588 39.600 39.000 0.021 0.000 1.059 170 F HN -0.293 8.007 8.300 -0.000 0.000 0.648 171 R N 1.193 121.766 120.500 0.122 0.000 2.549 171 R HA 0.053 4.392 4.340 -0.001 0.000 0.336 171 R C 1.281 177.534 176.300 -0.078 0.000 0.891 171 R CA 0.363 56.485 56.100 0.036 0.000 1.102 171 R CB 0.423 30.763 30.300 0.066 0.000 0.899 171 R HN 0.374 8.644 8.270 -0.000 0.000 0.407 172 A N 3.879 126.615 122.820 -0.140 0.000 2.014 172 A HA 0.011 4.330 4.320 -0.001 0.000 0.218 172 A C 1.057 178.598 177.584 -0.072 0.000 1.163 172 A CA 1.017 52.974 52.037 -0.133 0.000 0.652 172 A CB 0.065 18.970 19.000 -0.158 0.000 0.808 172 A HN 0.755 8.905 8.150 -0.000 0.000 0.449 173 A N 0.148 122.944 122.820 -0.039 0.000 2.492 173 A HA 0.490 4.810 4.320 -0.001 0.000 0.254 173 A C 0.285 177.860 177.584 -0.015 0.000 1.091 173 A CA -0.190 51.836 52.037 -0.019 0.000 0.768 173 A CB -0.214 18.788 19.000 0.003 0.000 1.028 173 A HN 0.448 8.598 8.150 -0.000 0.000 0.498 174 L N 1.356 122.568 121.223 -0.018 0.000 2.468 174 L HA 0.497 4.836 4.340 -0.001 0.000 0.254 174 L C 1.185 178.053 176.870 -0.005 0.000 1.171 174 L CA -0.110 54.721 54.840 -0.015 0.000 0.809 174 L CB 1.076 43.121 42.059 -0.023 0.000 1.155 174 L HN 0.724 8.954 8.230 -0.000 0.000 0.473 175 T N -0.171 114.380 114.554 -0.006 0.000 3.542 175 T HA 0.400 4.749 4.350 -0.001 0.000 0.276 175 T C 0.713 175.403 174.700 -0.017 0.000 1.412 175 T CA 0.174 62.273 62.100 -0.001 0.000 1.664 175 T CB -0.243 68.631 68.868 0.010 0.000 0.863 175 T HN 0.936 9.176 8.240 -0.000 0.000 0.661 176 G N 3.920 112.701 108.800 -0.031 0.000 4.293 176 G HA2 -0.419 3.540 3.960 -0.001 0.000 0.222 176 G HA3 -0.419 3.540 3.960 -0.001 0.000 0.222 176 G C 1.026 175.878 174.900 -0.080 0.000 1.452 176 G CA 1.243 46.300 45.100 -0.072 0.000 1.312 176 G HN 0.677 8.967 8.290 -0.000 0.000 0.709 177 K N 1.265 121.626 120.400 -0.066 0.000 2.444 177 K HA 0.085 4.404 4.320 -0.001 0.000 0.193 177 K C -0.001 176.584 176.600 -0.024 0.000 1.024 177 K CA 0.343 56.597 56.287 -0.054 0.000 1.077 177 K CB 0.055 32.530 32.500 -0.042 0.000 0.833 177 K HN 0.407 8.657 8.250 -0.000 0.000 0.517 178 D N 1.285 121.675 120.400 -0.018 0.000 2.280 178 D HA 0.074 4.713 4.640 -0.001 0.000 0.243 178 D C -1.600 174.699 176.300 -0.001 0.000 1.129 178 D CA -2.072 51.925 54.000 -0.006 0.000 0.848 178 D CB 1.825 42.621 40.800 -0.006 0.000 1.107 178 D HN 0.031 8.401 8.370 -0.000 0.000 0.471 179 P HA 0.050 4.470 4.420 -0.000 0.000 0.226 179 P C 0.668 177.974 177.300 0.010 0.000 1.153 179 P CA 0.531 63.650 63.100 0.032 0.000 0.777 179 P CB 0.407 32.141 31.700 0.056 0.000 0.794 180 G N -0.112 108.683 108.800 -0.007 0.000 2.610 180 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.304 180 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.304 180 G C -0.179 174.697 174.900 -0.041 0.000 1.309 180 G CA -0.316 44.762 45.100 -0.037 0.000 0.906 180 G HN 0.185 8.475 8.290 -0.000 0.000 0.521 181 L N 1.209 122.387 121.223 -0.075 0.000 2.446 181 L HA 0.283 4.622 4.340 -0.001 0.000 0.219 181 L C 2.393 179.190 176.870 -0.121 0.000 1.116 181 L CA 2.435 57.225 54.840 -0.082 0.000 0.844 181 L CB -0.542 41.459 42.059 -0.096 0.000 0.970 181 L HN 1.101 9.331 8.230 -0.000 0.000 0.457 182 T N -4.717 109.734 114.554 -0.172 0.000 2.920 182 T HA 0.164 4.513 4.350 -0.001 0.000 0.292 182 T C 1.282 175.905 174.700 -0.129 0.000 1.093 182 T CA -0.203 61.718 62.100 -0.298 0.000 0.944 182 T CB -0.296 68.343 68.868 -0.381 0.000 1.605 182 T HN 0.020 8.260 8.240 -0.000 0.000 0.590 183 F N 0.438 120.356 119.950 -0.053 0.000 2.293 183 F HA 0.190 4.716 4.527 -0.001 0.000 0.297 183 F C 0.844 176.724 175.800 0.135 0.000 1.089 183 F CA 0.189 58.227 58.000 0.064 0.000 1.377 183 F CB 0.053 39.151 39.000 0.164 0.000 1.051 183 F HN 0.624 8.924 8.300 -0.000 0.000 0.511 184 Y N -0.750 119.640 120.300 0.150 0.000 2.713 184 Y HA 0.458 5.008 4.550 -0.001 0.000 0.335 184 Y C -1.450 174.471 175.900 0.036 0.000 1.222 184 Y CA -2.519 55.629 58.100 0.080 0.000 1.061 184 Y CB 0.689 39.196 38.460 0.079 0.000 1.314 184 Y HN -0.152 8.128 8.280 -0.000 0.000 0.453 185 K N 1.510 121.959 120.400 0.081 0.000 2.324 185 K HA 0.921 5.241 4.320 -0.001 0.000 0.253 185 K C -0.866 175.856 176.600 0.202 0.000 0.932 185 K CA -0.628 55.648 56.287 -0.020 0.000 0.799 185 K CB 2.482 34.965 32.500 -0.027 0.000 1.154 185 K HN 1.177 9.427 8.250 -0.000 0.000 0.425 186 G N 0.307 109.203 108.800 0.161 0.000 2.921 186 G HA2 0.701 4.660 3.960 -0.001 0.000 0.291 186 G HA3 0.701 4.660 3.960 -0.001 0.000 0.291 186 G C -0.016 174.942 174.900 0.096 0.000 1.370 186 G CA -0.449 44.758 45.100 0.178 0.000 0.847 186 G HN 1.003 9.293 8.290 -0.000 0.000 0.532 187 G N -0.507 108.347 108.800 0.090 0.000 2.539 187 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.256 187 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.256 187 G C 1.321 176.266 174.900 0.074 0.000 1.233 187 G CA 0.780 45.923 45.100 0.072 0.000 0.936 187 G HN 1.534 9.824 8.290 -0.000 0.000 0.571 188 S N 0.869 116.608 115.700 0.066 0.000 2.547 188 S HA -0.020 4.449 4.470 -0.001 0.000 0.235 188 S C 1.812 176.454 174.600 0.070 0.000 0.980 188 S CA 1.652 59.909 58.200 0.095 0.000 0.941 188 S CB -0.216 62.984 63.200 0.001 0.000 0.763 188 S HN 0.823 9.133 8.310 -0.000 0.000 0.532 189 R N 0.367 120.886 120.500 0.032 0.000 2.694 189 R HA 0.400 4.739 4.340 -0.001 0.000 0.334 189 R C 0.742 177.056 176.300 0.023 0.000 1.143 189 R CA -0.132 55.978 56.100 0.016 0.000 1.073 189 R CB -0.088 30.199 30.300 -0.021 0.000 1.366 189 R HN 0.001 8.271 8.270 -0.000 0.000 0.577 190 K N 0.713 121.139 120.400 0.045 0.000 2.402 190 K HA 0.235 4.554 4.320 -0.001 0.000 0.204 190 K C -0.489 176.133 176.600 0.037 0.000 1.056 190 K CA 0.349 56.657 56.287 0.036 0.000 1.069 190 K CB 1.186 33.713 32.500 0.045 0.000 0.888 190 K HN 0.471 8.721 8.250 -0.000 0.000 0.546 191 G N 1.092 109.931 108.800 0.065 0.000 3.088 191 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.620 191 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.620 191 G C -2.104 172.873 174.900 0.129 0.000 1.375 191 G CA -0.868 44.277 45.100 0.075 0.000 1.016 191 G HN 0.106 8.396 8.290 -0.000 0.000 0.590 192 Y N 2.719 123.029 120.300 0.016 0.000 2.462 192 Y HA 0.880 5.429 4.550 -0.001 0.000 0.346 192 Y C -0.286 175.632 175.900 0.029 0.000 0.976 192 Y CA -1.569 56.544 58.100 0.022 0.000 1.044 192 Y CB 2.237 40.709 38.460 0.019 0.000 1.230 192 Y HN 0.879 9.159 8.280 -0.000 0.000 0.455 193 R N 3.604 123.411 120.500 -1.155 0.000 2.548 193 R HA 0.492 4.831 4.340 -0.001 0.000 0.280 193 R C -1.371 174.400 176.300 -0.881 0.000 1.061 193 R CA -0.412 55.185 56.100 -0.837 0.000 0.915 193 R CB 1.853 31.965 30.300 -0.313 0.000 1.210 193 R HN 0.754 9.024 8.270 -0.000 0.000 0.442 194 S N 2.845 118.249 115.700 -0.493 0.000 2.634 194 S HA 0.365 4.834 4.470 -0.001 0.000 0.261 194 S C -0.227 174.385 174.600 0.021 0.000 1.271 194 S CA -0.405 57.731 58.200 -0.107 0.000 0.985 194 S CB 0.418 63.679 63.200 0.103 0.000 0.968 194 S HN 0.526 8.836 8.310 -0.000 0.000 0.568 195 L N 4.426 125.714 121.223 0.107 0.000 2.935 195 L HA 0.283 4.622 4.340 -0.001 0.000 0.243 195 L C 0.276 177.255 176.870 0.181 0.000 1.313 195 L CA -0.304 54.651 54.840 0.191 0.000 0.969 195 L CB -1.197 40.910 42.059 0.079 0.000 1.320 195 L HN 0.872 9.102 8.230 -0.000 0.000 0.511 196 W N 0.000 121.301 121.300 0.002 0.000 2.388 196 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 196 W CA 0.000 57.352 57.345 0.012 0.000 1.226 196 W CB 0.000 29.466 29.460 0.009 0.000 1.126 196 W HN 0.000 8.180 8.180 -0.000 0.000 0.535