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 3m1a_1_D DATA FIRST_RESID 2 DATA SEQUENCE SESAKVWLVT GASSGFGRAI AEAAVAAGDT VIGTARRTEA LDDLVAAYPD DATA SEQUENCE RAEAISLDVT DGERIDVVAA DVLARYGRVD VLVNNAGRTQ VGAFEETTER DATA SEQUENCE ELRDLFELHV FGPARLTRAL LPQXRERGSG SVVNISSFGG QLSFAGFSAY DATA SEQUENCE SATKAALEQL SEGLADEVAP FGIKVLIVEP GAFRTNLFGK GAAYFSEENP DATA SEQUENCE AYAEKVGPTR QLVQGSXXSQ PGDPAKAAAA IRLALDTEKT PLRLALGGDA DATA SEQUENCE VDFLTGHLDS VRAELTEWEK VSRGTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.618 174.600 0.030 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.214 63.200 0.023 0.000 0.593 3 E N 1.470 121.685 120.200 0.025 0.000 2.160 3 E HA -0.087 4.262 4.350 -0.001 0.000 0.195 3 E C 1.849 178.467 176.600 0.029 0.000 0.991 3 E CA 2.135 58.551 56.400 0.025 0.000 0.810 3 E CB -0.887 28.826 29.700 0.021 0.000 0.742 3 E HN 1.544 9.904 8.360 -0.000 0.000 0.466 4 S N -1.130 114.587 115.700 0.028 0.000 2.556 4 S HA 0.632 5.102 4.470 -0.001 0.000 0.216 4 S C 1.245 175.870 174.600 0.041 0.000 0.970 4 S CA 0.295 58.514 58.200 0.032 0.000 0.912 4 S CB 0.185 63.400 63.200 0.026 0.000 0.790 4 S HN 0.866 9.176 8.310 -0.000 0.000 0.504 5 A N 2.287 125.132 122.820 0.041 0.000 2.407 5 A HA 0.582 4.902 4.320 -0.001 0.000 0.248 5 A C 0.171 177.803 177.584 0.080 0.000 1.082 5 A CA -0.280 51.787 52.037 0.050 0.000 0.785 5 A CB 0.364 19.388 19.000 0.041 0.000 1.020 5 A HN 0.280 8.430 8.150 -0.000 0.000 0.489 6 K N 0.959 121.433 120.400 0.124 0.000 2.267 6 K HA 0.512 4.832 4.320 -0.001 0.000 0.246 6 K C -1.079 175.649 176.600 0.214 0.000 0.954 6 K CA -0.772 55.614 56.287 0.165 0.000 0.824 6 K CB 1.918 34.552 32.500 0.224 0.000 1.167 6 K HN 0.345 8.595 8.250 -0.000 0.000 0.431 7 V N 2.177 122.169 119.914 0.131 0.000 2.368 7 V HA 0.172 4.291 4.120 -0.001 0.000 0.266 7 V C -0.772 175.373 176.094 0.084 0.000 1.045 7 V CA -0.665 61.680 62.300 0.075 0.000 0.899 7 V CB -0.073 31.736 31.823 -0.023 0.000 1.006 7 V HN 0.525 8.715 8.190 -0.000 0.000 0.470 8 W N 5.305 126.519 121.300 -0.144 0.000 2.391 8 W HA 0.638 5.297 4.660 -0.001 0.000 0.311 8 W C -0.370 176.049 176.519 -0.168 0.000 1.087 8 W CA -0.801 56.462 57.345 -0.138 0.000 1.209 8 W CB 1.503 30.888 29.460 -0.125 0.000 1.273 8 W HN 0.382 8.562 8.180 -0.000 0.000 0.482 9 L N 5.353 126.569 121.223 -0.011 0.000 2.294 9 L HA 0.670 5.010 4.340 -0.001 0.000 0.283 9 L C -1.120 175.742 176.870 -0.013 0.000 1.015 9 L CA -0.648 54.164 54.840 -0.046 0.000 0.831 9 L CB 0.918 42.922 42.059 -0.092 0.000 1.217 9 L HN 0.132 8.362 8.230 -0.000 0.000 0.420 10 V N 3.735 123.656 119.914 0.012 0.000 2.378 10 V HA 0.492 4.611 4.120 -0.001 0.000 0.288 10 V C 0.324 176.409 176.094 -0.015 0.000 1.016 10 V CA -0.418 61.886 62.300 0.006 0.000 0.840 10 V CB 1.660 33.498 31.823 0.025 0.000 0.994 10 V HN 0.850 9.040 8.190 -0.000 0.000 0.431 11 T N 0.768 115.307 114.554 -0.025 0.000 2.889 11 T HA 0.553 4.903 4.350 -0.001 0.000 0.291 11 T C 0.962 175.656 174.700 -0.011 0.000 0.995 11 T CA 0.311 62.402 62.100 -0.015 0.000 1.092 11 T CB 1.352 70.211 68.868 -0.015 0.000 0.954 11 T HN 1.917 10.157 8.240 -0.000 0.000 0.506 12 G N 1.299 110.102 108.800 0.004 0.000 2.314 12 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.292 12 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.292 12 G C 0.688 175.592 174.900 0.007 0.000 1.059 12 G CA -0.036 45.073 45.100 0.015 0.000 0.982 12 G HN 1.525 9.815 8.290 -0.000 0.000 0.505 13 A N -0.455 122.367 122.820 0.003 0.000 2.251 13 A HA 0.532 4.851 4.320 -0.001 0.000 0.209 13 A C 2.296 179.890 177.584 0.018 0.000 1.187 13 A CA 1.766 53.798 52.037 -0.007 0.000 0.823 13 A CB -0.146 18.849 19.000 -0.008 0.000 0.846 13 A HN 1.370 9.520 8.150 -0.000 0.000 0.486 14 S N 0.070 115.790 115.700 0.034 0.000 2.368 14 S HA -0.035 4.435 4.470 -0.001 0.000 0.225 14 S C 1.146 175.791 174.600 0.075 0.000 1.030 14 S CA 1.622 59.853 58.200 0.052 0.000 0.999 14 S CB -0.262 62.967 63.200 0.048 0.000 0.844 14 S HN 1.043 9.353 8.310 -0.000 0.000 0.459 15 S N -1.891 113.856 115.700 0.078 0.000 2.671 15 S HA 0.688 5.158 4.470 -0.001 0.000 0.277 15 S C 0.500 175.163 174.600 0.105 0.000 1.165 15 S CA -0.047 58.222 58.200 0.115 0.000 0.822 15 S CB 0.793 64.059 63.200 0.111 0.000 1.150 15 S HN 1.455 9.765 8.310 -0.000 0.000 0.479 16 G N 1.145 110.034 108.800 0.148 0.000 2.564 16 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.273 16 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.273 16 G C 0.386 175.263 174.900 -0.039 0.000 1.242 16 G CA 0.539 45.705 45.100 0.110 0.000 0.951 16 G HN 1.396 9.686 8.290 -0.000 0.000 0.564 17 F N 2.783 122.560 119.950 -0.289 0.000 2.120 17 F HA -0.027 4.499 4.527 -0.001 0.000 0.300 17 F C 2.761 178.377 175.800 -0.307 0.000 1.095 17 F CA 2.676 60.390 58.000 -0.475 0.000 1.249 17 F CB -1.004 37.769 39.000 -0.377 0.000 0.995 17 F HN 0.663 8.963 8.300 -0.000 0.000 0.480 18 G N -0.440 108.261 108.800 -0.164 0.000 2.442 18 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.219 18 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.219 18 G C 1.795 176.591 174.900 -0.173 0.000 1.141 18 G CA 0.939 45.919 45.100 -0.201 0.000 0.763 18 G HN 0.297 8.587 8.290 -0.000 0.000 0.554 19 R N 1.135 121.565 120.500 -0.118 0.000 2.075 19 R HA 0.165 4.504 4.340 -0.001 0.000 0.232 19 R C 2.748 178.943 176.300 -0.175 0.000 1.126 19 R CA 1.740 57.810 56.100 -0.049 0.000 0.963 19 R CB -0.921 29.461 30.300 0.136 0.000 0.858 19 R HN 0.225 8.495 8.270 -0.000 0.000 0.435 20 A N 0.364 122.859 122.820 -0.542 0.000 1.902 20 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 20 A C 2.285 179.643 177.584 -0.377 0.000 1.181 20 A CA 1.571 53.163 52.037 -0.743 0.000 0.623 20 A CB -0.582 17.713 19.000 -1.175 0.000 0.818 20 A HN 0.359 8.509 8.150 -0.000 0.000 0.443 21 I N -0.180 120.162 120.570 -0.380 0.000 2.163 21 I HA -0.306 3.864 4.170 -0.001 0.000 0.243 21 I C 2.998 178.931 176.117 -0.307 0.000 1.085 21 I CA 1.155 62.255 61.300 -0.332 0.000 1.347 21 I CB -0.361 37.429 38.000 -0.351 0.000 1.044 21 I HN 0.356 8.566 8.210 -0.000 0.000 0.408 22 A N 0.371 123.058 122.820 -0.221 0.000 1.883 22 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 22 A C 2.235 179.682 177.584 -0.228 0.000 1.186 22 A CA 1.862 53.787 52.037 -0.186 0.000 0.624 22 A CB -0.634 18.311 19.000 -0.090 0.000 0.822 22 A HN 0.469 8.619 8.150 -0.000 0.000 0.444 23 E N -0.444 119.663 120.200 -0.155 0.000 2.152 23 E HA -0.042 4.307 4.350 -0.001 0.000 0.192 23 E C 2.293 178.770 176.600 -0.205 0.000 0.983 23 E CA 0.722 57.051 56.400 -0.119 0.000 0.818 23 E CB -0.252 29.486 29.700 0.064 0.000 0.758 23 E HN 0.622 8.982 8.360 -0.000 0.000 0.467 24 A N 1.680 124.358 122.820 -0.236 0.000 1.902 24 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 24 A C 2.402 179.746 177.584 -0.401 0.000 1.181 24 A CA 1.625 53.506 52.037 -0.260 0.000 0.623 24 A CB -0.547 18.305 19.000 -0.246 0.000 0.818 24 A HN 0.285 8.435 8.150 -0.000 0.000 0.443 25 A N -0.547 121.914 122.820 -0.599 0.000 1.858 25 A HA -0.034 4.285 4.320 -0.001 0.000 0.216 25 A C 2.220 179.488 177.584 -0.528 0.000 1.190 25 A CA 1.865 53.419 52.037 -0.805 0.000 0.617 25 A CB -1.025 17.261 19.000 -1.190 0.000 0.827 25 A HN 0.416 8.566 8.150 -0.000 0.000 0.443 26 V N -0.169 119.459 119.914 -0.477 0.000 2.407 26 V HA -0.222 3.898 4.120 -0.001 0.000 0.248 26 V C 2.980 178.747 176.094 -0.545 0.000 1.055 26 V CA 1.832 63.806 62.300 -0.543 0.000 1.049 26 V CB -1.086 30.279 31.823 -0.763 0.000 0.662 26 V HN 0.618 8.808 8.190 -0.000 0.000 0.455 27 A N -0.172 122.396 122.820 -0.421 0.000 2.015 27 A HA 0.046 4.366 4.320 -0.001 0.000 0.219 27 A C 2.234 179.715 177.584 -0.171 0.000 1.163 27 A CA 1.551 53.444 52.037 -0.239 0.000 0.646 27 A CB -0.453 18.470 19.000 -0.127 0.000 0.806 27 A HN 0.565 8.715 8.150 -0.000 0.000 0.448 28 A N -1.917 120.777 122.820 -0.211 0.000 2.238 28 A HA 0.411 4.731 4.320 -0.001 0.000 0.208 28 A C 1.751 179.258 177.584 -0.128 0.000 1.177 28 A CA 1.226 53.169 52.037 -0.156 0.000 0.804 28 A CB -0.749 18.141 19.000 -0.182 0.000 0.823 28 A HN 1.789 9.939 8.150 -0.000 0.000 0.482 29 G N -0.729 107.978 108.800 -0.155 0.000 2.176 29 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.232 29 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.232 29 G C -0.220 174.623 174.900 -0.096 0.000 0.986 29 G CA 0.127 45.167 45.100 -0.101 0.000 0.643 29 G HN 0.460 8.750 8.290 -0.000 0.000 0.522 30 D N 0.828 121.134 120.400 -0.157 0.000 2.360 30 D HA 0.489 5.129 4.640 -0.001 0.000 0.242 30 D C 0.605 176.847 176.300 -0.097 0.000 1.184 30 D CA 0.610 54.538 54.000 -0.118 0.000 0.930 30 D CB 0.742 41.399 40.800 -0.238 0.000 1.161 30 D HN 0.068 8.438 8.370 -0.000 0.000 0.447 31 T N 0.506 115.056 114.554 -0.007 0.000 2.799 31 T HA 0.440 4.790 4.350 -0.001 0.000 0.286 31 T C -0.154 174.538 174.700 -0.014 0.000 0.973 31 T CA -0.551 61.556 62.100 0.012 0.000 1.035 31 T CB 1.065 69.987 68.868 0.089 0.000 0.932 31 T HN -0.026 8.214 8.240 -0.000 0.000 0.469 32 V N 4.497 124.385 119.914 -0.044 0.000 2.588 32 V HA 0.489 4.608 4.120 -0.001 0.000 0.304 32 V C -0.643 175.410 176.094 -0.069 0.000 1.042 32 V CA -0.864 61.408 62.300 -0.046 0.000 0.877 32 V CB 1.723 33.497 31.823 -0.082 0.000 0.996 32 V HN 0.743 8.933 8.190 -0.000 0.000 0.425 33 I N 4.083 124.591 120.570 -0.105 0.000 2.328 33 I HA 0.605 4.774 4.170 -0.001 0.000 0.287 33 I C 0.833 176.929 176.117 -0.035 0.000 1.012 33 I CA 0.276 61.518 61.300 -0.096 0.000 1.195 33 I CB 1.536 39.423 38.000 -0.190 0.000 1.350 33 I HN 0.678 8.888 8.210 -0.000 0.000 0.464 34 G N 3.575 112.370 108.800 -0.008 0.000 2.348 34 G HA2 0.606 4.566 3.960 -0.001 0.000 0.312 34 G HA3 0.606 4.566 3.960 -0.001 0.000 0.312 34 G C -0.293 174.612 174.900 0.007 0.000 1.126 34 G CA -0.376 44.724 45.100 0.001 0.000 0.865 34 G HN 0.521 8.811 8.290 -0.000 0.000 0.474 35 T N -1.202 113.355 114.554 0.004 0.000 2.888 35 T HA 0.836 5.186 4.350 -0.001 0.000 0.284 35 T C -0.121 174.588 174.700 0.014 0.000 1.017 35 T CA -0.174 61.931 62.100 0.010 0.000 1.022 35 T CB 2.048 70.919 68.868 0.005 0.000 1.013 35 T HN 1.522 9.762 8.240 -0.000 0.000 0.465 36 A N 2.211 125.042 122.820 0.019 0.000 2.602 36 A HA 0.681 5.001 4.320 -0.001 0.000 0.290 36 A C 1.065 178.662 177.584 0.021 0.000 1.114 36 A CA -0.981 51.069 52.037 0.022 0.000 0.683 36 A CB 1.129 20.146 19.000 0.028 0.000 1.281 36 A HN 0.703 8.853 8.150 -0.000 0.000 0.416 37 R N -0.189 120.324 120.500 0.021 0.000 2.083 37 R HA -0.077 4.262 4.340 -0.001 0.000 0.237 37 R C -0.081 176.230 176.300 0.018 0.000 1.137 37 R CA 1.278 57.388 56.100 0.018 0.000 0.951 37 R CB -0.267 30.043 30.300 0.018 0.000 0.851 37 R HN 0.622 8.892 8.270 -0.000 0.000 0.434 38 R N 0.485 120.997 120.500 0.021 0.000 2.393 38 R HA 0.143 4.483 4.340 -0.001 0.000 0.315 38 R C 1.219 177.533 176.300 0.024 0.000 0.952 38 R CA -0.031 56.081 56.100 0.021 0.000 0.842 38 R CB 1.456 31.768 30.300 0.021 0.000 1.163 38 R HN 0.142 8.412 8.270 -0.000 0.000 0.450 39 T N -0.648 113.921 114.554 0.024 0.000 2.680 39 T HA -0.264 4.085 4.350 -0.001 0.000 0.268 39 T C 1.286 176.003 174.700 0.028 0.000 1.033 39 T CA 1.600 63.717 62.100 0.027 0.000 1.152 39 T CB -0.134 68.750 68.868 0.027 0.000 0.859 39 T HN 0.529 8.769 8.240 -0.000 0.000 0.452 40 E N 1.980 122.195 120.200 0.025 0.000 2.219 40 E HA 0.047 4.396 4.350 -0.001 0.000 0.198 40 E C 2.429 179.045 176.600 0.027 0.000 0.998 40 E CA 1.127 57.542 56.400 0.024 0.000 0.818 40 E CB -0.779 28.933 29.700 0.021 0.000 0.741 40 E HN 0.759 9.119 8.360 -0.000 0.000 0.477 41 A N 0.092 122.929 122.820 0.030 0.000 2.070 41 A HA -0.088 4.232 4.320 -0.001 0.000 0.220 41 A C 1.753 179.361 177.584 0.039 0.000 1.159 41 A CA 0.870 52.928 52.037 0.034 0.000 0.656 41 A CB -0.235 18.787 19.000 0.037 0.000 0.800 41 A HN 0.233 8.383 8.150 -0.000 0.000 0.453 42 L N -0.359 120.887 121.223 0.038 0.000 2.685 42 L HA 0.078 4.418 4.340 -0.001 0.000 0.233 42 L C 0.838 177.735 176.870 0.044 0.000 1.173 42 L CA -0.270 54.597 54.840 0.044 0.000 0.961 42 L CB 0.030 42.114 42.059 0.043 0.000 1.217 42 L HN 0.176 8.406 8.230 -0.000 0.000 0.478 43 D N 1.055 121.476 120.400 0.036 0.000 2.123 43 D HA -0.207 4.432 4.640 -0.001 0.000 0.196 43 D C 1.654 177.972 176.300 0.030 0.000 0.992 43 D CA 1.705 55.724 54.000 0.031 0.000 0.833 43 D CB 0.043 40.856 40.800 0.023 0.000 0.954 43 D HN 0.469 8.839 8.370 -0.000 0.000 0.455 44 D N 0.501 120.919 120.400 0.031 0.000 2.178 44 D HA -0.142 4.497 4.640 -0.001 0.000 0.202 44 D C 2.201 178.526 176.300 0.042 0.000 0.974 44 D CA 0.299 54.314 54.000 0.025 0.000 0.841 44 D CB -0.780 40.032 40.800 0.020 0.000 0.953 44 D HN 0.222 8.592 8.370 -0.000 0.000 0.478 45 L N 0.580 121.846 121.223 0.071 0.000 2.027 45 L HA -0.082 4.258 4.340 -0.001 0.000 0.206 45 L C 2.277 179.226 176.870 0.132 0.000 1.074 45 L CA 1.207 56.120 54.840 0.121 0.000 0.745 45 L CB -0.308 41.816 42.059 0.109 0.000 0.898 45 L HN -0.070 8.160 8.230 -0.000 0.000 0.433 46 V N 0.132 120.098 119.914 0.087 0.000 2.515 46 V HA -0.235 3.885 4.120 -0.001 0.000 0.250 46 V C 2.766 178.891 176.094 0.052 0.000 1.058 46 V CA 1.464 63.812 62.300 0.080 0.000 1.064 46 V CB -1.252 30.608 31.823 0.061 0.000 0.675 46 V HN 0.602 8.792 8.190 -0.000 0.000 0.461 47 A N 0.040 122.873 122.820 0.022 0.000 1.898 47 A HA -0.043 4.277 4.320 -0.001 0.000 0.216 47 A C 2.391 179.935 177.584 -0.067 0.000 1.181 47 A CA 1.865 53.893 52.037 -0.014 0.000 0.620 47 A CB -0.646 18.343 19.000 -0.017 0.000 0.819 47 A HN 0.547 8.697 8.150 -0.000 0.000 0.442 48 A N -2.059 120.699 122.820 -0.103 0.000 1.968 48 A HA 0.140 4.459 4.320 -0.001 0.000 0.217 48 A C 0.676 177.902 177.584 -0.596 0.000 1.169 48 A CA 0.877 52.714 52.037 -0.334 0.000 0.638 48 A CB -0.317 18.483 19.000 -0.334 0.000 0.812 48 A HN 0.541 8.691 8.150 -0.000 0.000 0.446 49 Y N -1.481 118.822 120.300 0.005 0.000 2.511 49 Y HA 0.320 4.870 4.550 -0.001 0.000 0.356 49 Y C -2.083 173.825 175.900 0.014 0.000 1.002 49 Y CA -2.141 55.962 58.100 0.006 0.000 1.127 49 Y CB 0.725 39.184 38.460 -0.001 0.000 1.137 49 Y HN 0.173 8.453 8.280 -0.000 0.000 0.652 50 P HA -0.153 4.267 4.420 -0.000 0.000 0.217 50 P C 0.957 178.305 177.300 0.080 0.000 1.148 50 P CA 1.650 64.791 63.100 0.067 0.000 0.828 50 P CB 0.523 32.240 31.700 0.029 0.000 0.783 51 D N -1.836 118.620 120.400 0.093 0.000 2.354 51 D HA 0.083 4.723 4.640 -0.001 0.000 0.209 51 D C 1.532 177.892 176.300 0.101 0.000 1.015 51 D CA 0.512 54.562 54.000 0.083 0.000 0.867 51 D CB 0.212 41.052 40.800 0.068 0.000 0.933 51 D HN 0.190 8.560 8.370 -0.000 0.000 0.520 52 R N -0.549 120.022 120.500 0.120 0.000 2.531 52 R HA 0.413 4.753 4.340 -0.001 0.000 0.316 52 R C -0.042 176.306 176.300 0.081 0.000 0.955 52 R CA -0.103 56.055 56.100 0.097 0.000 1.120 52 R CB 1.863 32.193 30.300 0.050 0.000 1.361 52 R HN -0.112 8.158 8.270 -0.000 0.000 0.534 53 A N 1.531 124.416 122.820 0.109 0.000 2.371 53 A HA 0.532 4.851 4.320 -0.001 0.000 0.311 53 A C -1.126 176.520 177.584 0.104 0.000 1.068 53 A CA -0.468 51.622 52.037 0.088 0.000 0.744 53 A CB 1.664 20.729 19.000 0.109 0.000 1.239 53 A HN 0.121 8.271 8.150 -0.000 0.000 0.435 54 E N 1.407 121.663 120.200 0.093 0.000 2.340 54 E HA 0.674 5.024 4.350 -0.001 0.000 0.273 54 E C -0.922 175.719 176.600 0.067 0.000 0.891 54 E CA -0.799 55.663 56.400 0.102 0.000 0.757 54 E CB 2.103 31.906 29.700 0.173 0.000 1.231 54 E HN 0.916 9.276 8.360 -0.000 0.000 0.439 55 A N 4.576 127.433 122.820 0.062 0.000 2.304 55 A HA 0.681 5.001 4.320 -0.001 0.000 0.323 55 A C -0.776 176.836 177.584 0.046 0.000 1.195 55 A CA -0.538 51.527 52.037 0.046 0.000 0.826 55 A CB 0.449 19.474 19.000 0.042 0.000 1.184 55 A HN 0.590 8.740 8.150 -0.000 0.000 0.496 56 I N 1.169 121.761 120.570 0.037 0.000 2.582 56 I HA 0.247 4.417 4.170 -0.001 0.000 0.292 56 I C 0.375 176.508 176.117 0.026 0.000 1.066 56 I CA -0.526 60.795 61.300 0.035 0.000 1.053 56 I CB 2.337 40.359 38.000 0.038 0.000 1.241 56 I HN 0.595 8.805 8.210 -0.000 0.000 0.421 57 S N 6.140 121.855 115.700 0.024 0.000 2.488 57 S HA 0.485 4.955 4.470 -0.001 0.000 0.278 57 S C -0.791 173.819 174.600 0.016 0.000 1.259 57 S CA -0.146 58.066 58.200 0.019 0.000 1.061 57 S CB 0.010 63.220 63.200 0.018 0.000 0.910 57 S HN 0.390 8.700 8.310 -0.000 0.000 0.491 58 L N 5.180 126.411 121.223 0.014 0.000 2.505 58 L HA 0.565 4.905 4.340 -0.001 0.000 0.266 58 L C -1.543 175.334 176.870 0.010 0.000 0.954 58 L CA -0.374 54.472 54.840 0.011 0.000 0.852 58 L CB 2.240 44.304 42.059 0.009 0.000 1.282 58 L HN 0.574 8.804 8.230 -0.000 0.000 0.403 59 D N 3.619 124.024 120.400 0.008 0.000 2.373 59 D HA 0.242 4.882 4.640 -0.001 0.000 0.227 59 D C 0.710 177.015 176.300 0.008 0.000 1.091 59 D CA -0.186 53.819 54.000 0.007 0.000 0.840 59 D CB 1.891 42.693 40.800 0.003 0.000 1.060 59 D HN 0.380 8.750 8.370 -0.000 0.000 0.502 60 V N 3.370 123.291 119.914 0.011 0.000 2.913 60 V HA -0.160 3.960 4.120 -0.001 0.000 0.260 60 V C 2.311 178.420 176.094 0.025 0.000 1.098 60 V CA 2.218 64.529 62.300 0.018 0.000 1.121 60 V CB -0.668 31.167 31.823 0.020 0.000 0.714 60 V HN 0.797 8.987 8.190 -0.000 0.000 0.487 61 T N -2.815 111.749 114.554 0.017 0.000 3.118 61 T HA -0.057 4.292 4.350 -0.001 0.000 0.260 61 T C 0.779 175.487 174.700 0.013 0.000 1.139 61 T CA 0.448 62.562 62.100 0.022 0.000 1.085 61 T CB -0.169 68.703 68.868 0.007 0.000 0.934 61 T HN 0.385 8.625 8.240 -0.000 0.000 0.518 62 D N 1.179 121.583 120.400 0.008 0.000 2.456 62 D HA 0.406 5.045 4.640 -0.001 0.000 0.219 62 D C 1.405 177.706 176.300 0.002 0.000 1.126 62 D CA -0.409 53.592 54.000 0.000 0.000 0.890 62 D CB 0.799 41.598 40.800 -0.002 0.000 1.025 62 D HN 0.184 8.554 8.370 -0.000 0.000 0.511 63 G N 3.404 112.203 108.800 -0.002 0.000 2.422 63 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.218 63 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.218 63 G C 1.286 176.184 174.900 -0.004 0.000 1.146 63 G CA 0.394 45.494 45.100 -0.001 0.000 0.769 63 G HN 0.428 8.718 8.290 -0.000 0.000 0.547 64 E N 0.528 120.723 120.200 -0.008 0.000 2.058 64 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 64 E C 2.501 179.099 176.600 -0.003 0.000 0.997 64 E CA 1.098 57.494 56.400 -0.007 0.000 0.801 64 E CB -0.320 29.374 29.700 -0.010 0.000 0.746 64 E HN 0.337 8.697 8.360 -0.000 0.000 0.450 65 R N 0.959 121.458 120.500 -0.001 0.000 2.096 65 R HA -0.010 4.330 4.340 -0.001 0.000 0.235 65 R C 2.380 178.682 176.300 0.004 0.000 1.127 65 R CA 0.856 56.957 56.100 0.002 0.000 0.968 65 R CB -0.675 29.627 30.300 0.003 0.000 0.861 65 R HN 0.183 8.453 8.270 -0.000 0.000 0.440 66 I N 0.709 121.282 120.570 0.004 0.000 2.151 66 I HA -0.333 3.837 4.170 -0.001 0.000 0.243 66 I C 1.499 177.617 176.117 0.002 0.000 1.080 66 I CA 1.793 63.096 61.300 0.004 0.000 1.339 66 I CB -0.413 37.592 38.000 0.007 0.000 1.039 66 I HN 0.224 8.434 8.210 -0.000 0.000 0.409 67 D N 0.405 120.805 120.400 0.000 0.000 2.104 67 D HA -0.146 4.494 4.640 -0.001 0.000 0.194 67 D C 2.338 178.639 176.300 0.002 0.000 0.994 67 D CA 1.169 55.169 54.000 -0.001 0.000 0.830 67 D CB -0.461 40.337 40.800 -0.004 0.000 0.959 67 D HN 0.149 8.519 8.370 -0.000 0.000 0.452 68 V N 0.644 120.560 119.914 0.003 0.000 2.295 68 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 68 V C 2.654 178.755 176.094 0.013 0.000 1.049 68 V CA 1.082 63.386 62.300 0.007 0.000 1.024 68 V CB -0.434 31.393 31.823 0.006 0.000 0.648 68 V HN 0.056 8.246 8.190 -0.000 0.000 0.447 69 V N 0.195 120.117 119.914 0.012 0.000 2.295 69 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 69 V C 2.713 178.818 176.094 0.018 0.000 1.049 69 V CA 2.047 64.358 62.300 0.018 0.000 1.024 69 V CB -1.157 30.673 31.823 0.013 0.000 0.648 69 V HN 0.558 8.748 8.190 -0.000 0.000 0.447 70 A N 0.065 122.890 122.820 0.007 0.000 1.883 70 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 70 A C 2.432 180.024 177.584 0.012 0.000 1.186 70 A CA 2.357 54.395 52.037 0.003 0.000 0.624 70 A CB -0.911 18.084 19.000 -0.007 0.000 0.822 70 A HN 0.593 8.743 8.150 -0.000 0.000 0.444 71 A N -0.197 122.630 122.820 0.012 0.000 1.902 71 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 71 A C 1.859 179.460 177.584 0.028 0.000 1.181 71 A CA 2.258 54.304 52.037 0.014 0.000 0.623 71 A CB -0.689 18.316 19.000 0.008 0.000 0.818 71 A HN 0.574 8.724 8.150 -0.000 0.000 0.443 72 D N -0.624 119.797 120.400 0.035 0.000 2.144 72 D HA -0.100 4.540 4.640 -0.001 0.000 0.200 72 D C 1.762 178.119 176.300 0.095 0.000 0.978 72 D CA 1.456 55.487 54.000 0.051 0.000 0.833 72 D CB -0.080 40.748 40.800 0.047 0.000 0.961 72 D HN 0.148 8.518 8.370 -0.000 0.000 0.470 73 V N 0.524 120.503 119.914 0.109 0.000 2.358 73 V HA -0.181 3.939 4.120 -0.001 0.000 0.246 73 V C 2.672 178.884 176.094 0.197 0.000 1.047 73 V CA 1.145 63.560 62.300 0.192 0.000 1.035 73 V CB -0.486 31.378 31.823 0.068 0.000 0.658 73 V HN 0.319 8.509 8.190 -0.000 0.000 0.452 74 L N 0.063 121.343 121.223 0.095 0.000 2.083 74 L HA -0.171 4.169 4.340 -0.001 0.000 0.209 74 L C 2.716 179.628 176.870 0.069 0.000 1.083 74 L CA 1.580 56.463 54.840 0.071 0.000 0.752 74 L CB -0.765 41.311 42.059 0.029 0.000 0.899 74 L HN 0.383 8.613 8.230 -0.000 0.000 0.433 75 A N 0.035 122.888 122.820 0.054 0.000 1.898 75 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 75 A C 2.367 179.957 177.584 0.010 0.000 1.181 75 A CA 1.390 53.443 52.037 0.027 0.000 0.620 75 A CB -0.308 18.702 19.000 0.017 0.000 0.819 75 A HN 0.350 8.500 8.150 -0.000 0.000 0.442 76 R N -2.760 117.749 120.500 0.015 0.000 2.156 76 R HA 0.106 4.446 4.340 -0.001 0.000 0.207 76 R C 1.355 177.513 176.300 -0.236 0.000 1.040 76 R CA 0.932 56.960 56.100 -0.119 0.000 1.013 76 R CB -0.094 30.101 30.300 -0.175 0.000 0.931 76 R HN 0.653 8.923 8.270 -0.000 0.000 0.465 77 Y N -0.859 119.444 120.300 0.005 0.000 2.497 77 Y HA 0.233 4.782 4.550 -0.001 0.000 0.265 77 Y C 1.768 177.670 175.900 0.004 0.000 1.111 77 Y CA 0.522 58.626 58.100 0.008 0.000 1.288 77 Y CB 0.872 39.339 38.460 0.012 0.000 1.082 77 Y HN 0.252 8.532 8.280 -0.000 0.000 0.536 78 G N 1.150 110.024 108.800 0.123 0.000 2.304 78 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.252 78 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.252 78 G C 0.384 175.321 174.900 0.062 0.000 1.014 78 G CA 0.470 45.611 45.100 0.069 0.000 0.619 78 G HN 0.496 8.786 8.290 -0.000 0.000 0.525 79 R N -2.137 118.415 120.500 0.086 0.000 2.728 79 R HA 0.664 5.003 4.340 -0.001 0.000 0.274 79 R C -1.847 174.462 176.300 0.015 0.000 1.032 79 R CA -0.798 55.324 56.100 0.037 0.000 0.866 79 R CB 1.185 31.500 30.300 0.025 0.000 1.263 79 R HN 0.496 8.766 8.270 -0.000 0.000 0.475 80 V N 1.690 121.584 119.914 -0.033 0.000 2.483 80 V HA 0.239 4.358 4.120 -0.001 0.000 0.297 80 V C -0.323 175.710 176.094 -0.100 0.000 1.027 80 V CA -0.568 61.684 62.300 -0.079 0.000 0.855 80 V CB 1.717 33.479 31.823 -0.101 0.000 0.995 80 V HN 0.886 9.076 8.190 -0.000 0.000 0.424 81 D N 2.397 122.725 120.400 -0.121 0.000 2.201 81 D HA 0.072 4.712 4.640 -0.001 0.000 0.209 81 D C 0.311 176.448 176.300 -0.272 0.000 0.961 81 D CA 1.259 55.172 54.000 -0.145 0.000 0.861 81 D CB 1.057 41.803 40.800 -0.090 0.000 0.997 81 D HN 0.345 8.715 8.370 -0.000 0.000 0.486 82 V N 2.149 121.795 119.914 -0.447 0.000 2.487 82 V HA 0.277 4.397 4.120 -0.001 0.000 0.298 82 V C -0.612 175.177 176.094 -0.509 0.000 1.028 82 V CA -0.900 60.988 62.300 -0.687 0.000 0.860 82 V CB 2.388 33.256 31.823 -1.591 0.000 0.991 82 V HN -0.032 8.158 8.190 -0.000 0.000 0.427 83 L N 6.699 127.703 121.223 -0.366 0.000 2.296 83 L HA 0.734 5.073 4.340 -0.001 0.000 0.286 83 L C -0.548 176.180 176.870 -0.237 0.000 1.023 83 L CA 0.001 54.695 54.840 -0.243 0.000 0.812 83 L CB 1.751 43.713 42.059 -0.163 0.000 1.223 83 L HN 0.441 8.671 8.230 -0.000 0.000 0.421 84 V N 5.016 124.828 119.914 -0.171 0.000 2.350 84 V HA 0.380 4.499 4.120 -0.001 0.000 0.285 84 V C -0.153 175.885 176.094 -0.093 0.000 1.014 84 V CA -0.587 61.633 62.300 -0.132 0.000 0.831 84 V CB 1.141 32.918 31.823 -0.078 0.000 1.000 84 V HN 0.787 8.977 8.190 -0.000 0.000 0.433 85 N N 3.709 122.355 118.700 -0.091 0.000 2.482 85 N HA 0.172 4.911 4.740 -0.001 0.000 0.242 85 N C 0.805 176.274 175.510 -0.068 0.000 1.100 85 N CA -0.194 52.815 53.050 -0.069 0.000 0.946 85 N CB 0.310 38.756 38.487 -0.068 0.000 1.227 85 N HN 0.713 9.093 8.380 -0.000 0.000 0.508 86 N N 1.704 120.371 118.700 -0.055 0.000 2.332 86 N HA 0.141 4.880 4.740 -0.001 0.000 0.190 86 N C -0.077 175.432 175.510 -0.002 0.000 1.117 86 N CA -0.236 52.785 53.050 -0.048 0.000 0.883 86 N CB 0.458 38.895 38.487 -0.084 0.000 1.089 86 N HN 0.444 8.823 8.380 -0.000 0.000 0.480 87 A N -0.061 122.764 122.820 0.010 0.000 2.565 87 A HA 0.516 4.836 4.320 -0.001 0.000 0.237 87 A C 0.713 178.359 177.584 0.103 0.000 1.053 87 A CA 0.835 52.899 52.037 0.045 0.000 0.755 87 A CB -0.513 18.507 19.000 0.034 0.000 0.980 87 A HN 0.464 8.614 8.150 -0.000 0.000 0.506 88 G N 1.030 109.915 108.800 0.142 0.000 2.356 88 G HA2 0.621 4.581 3.960 -0.001 0.000 0.294 88 G HA3 0.621 4.581 3.960 -0.001 0.000 0.294 88 G C -1.055 173.990 174.900 0.241 0.000 1.423 88 G CA -0.348 44.934 45.100 0.304 0.000 0.806 88 G HN 1.516 9.806 8.290 -0.000 0.000 0.527 89 R N -1.129 119.572 120.500 0.335 0.000 2.668 89 R HA 0.736 5.076 4.340 -0.001 0.000 0.272 89 R C -0.944 175.496 176.300 0.232 0.000 1.019 89 R CA -0.669 55.534 56.100 0.171 0.000 0.894 89 R CB 1.333 31.654 30.300 0.036 0.000 1.228 89 R HN 0.501 8.771 8.270 -0.000 0.000 0.460 90 T N 2.197 116.807 114.554 0.093 0.000 2.913 90 T HA 0.220 4.570 4.350 -0.001 0.000 0.297 90 T C -0.703 173.899 174.700 -0.163 0.000 1.029 90 T CA -0.163 61.897 62.100 -0.067 0.000 1.104 90 T CB 0.938 69.726 68.868 -0.133 0.000 0.964 90 T HN 0.551 8.791 8.240 -0.000 0.000 0.532 91 Q N 1.750 121.425 119.800 -0.208 0.000 2.280 91 Q HA 0.553 4.893 4.340 -0.001 0.000 0.259 91 Q C -2.111 173.801 176.000 -0.148 0.000 0.964 91 Q CA -0.523 55.169 55.803 -0.184 0.000 0.844 91 Q CB 1.442 30.160 28.738 -0.033 0.000 1.334 91 Q HN 0.483 8.753 8.270 -0.000 0.000 0.423 92 V N 2.334 122.137 119.914 -0.186 0.000 2.656 92 V HA 1.010 5.129 4.120 -0.001 0.000 0.307 92 V C 0.014 176.136 176.094 0.046 0.000 1.051 92 V CA -0.006 62.316 62.300 0.037 0.000 0.893 92 V CB 1.849 33.800 31.823 0.214 0.000 0.999 92 V HN 0.876 9.066 8.190 -0.000 0.000 0.426 93 G N 2.448 111.295 108.800 0.079 0.000 2.473 93 G HA2 0.645 4.605 3.960 -0.001 0.000 0.298 93 G HA3 0.645 4.605 3.960 -0.001 0.000 0.298 93 G C -0.789 174.116 174.900 0.008 0.000 1.575 93 G CA -0.075 45.050 45.100 0.042 0.000 0.846 93 G HN 1.082 9.372 8.290 -0.000 0.000 0.585 94 A N 0.753 123.526 122.820 -0.079 0.000 2.466 94 A HA 0.507 4.827 4.320 -0.001 0.000 0.238 94 A C 1.144 178.649 177.584 -0.132 0.000 1.074 94 A CA 0.435 52.332 52.037 -0.233 0.000 0.774 94 A CB 0.117 18.670 19.000 -0.744 0.000 1.015 94 A HN 1.579 9.729 8.150 -0.000 0.000 0.498 95 F N 0.556 120.382 119.950 -0.207 0.000 2.091 95 F HA -0.219 4.308 4.527 -0.001 0.000 0.299 95 F C 2.083 177.834 175.800 -0.082 0.000 1.103 95 F CA 2.581 60.522 58.000 -0.098 0.000 1.228 95 F CB 0.048 39.015 39.000 -0.056 0.000 0.984 95 F HN 0.839 9.139 8.300 -0.000 0.000 0.477 96 E N -0.385 119.815 120.200 0.001 0.000 2.204 96 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 96 E C 1.851 178.413 176.600 -0.062 0.000 0.989 96 E CA 1.147 57.554 56.400 0.012 0.000 0.824 96 E CB -0.078 29.735 29.700 0.189 0.000 0.756 96 E HN 0.389 8.749 8.360 -0.000 0.000 0.477 97 E N -0.055 120.089 120.200 -0.094 0.000 2.299 97 E HA 0.004 4.354 4.350 -0.001 0.000 0.193 97 E C -0.212 176.358 176.600 -0.050 0.000 0.998 97 E CA 0.397 56.774 56.400 -0.040 0.000 0.851 97 E CB 0.259 29.946 29.700 -0.022 0.000 0.795 97 E HN -0.029 8.331 8.360 -0.000 0.000 0.492 98 T N 1.569 116.051 114.554 -0.118 0.000 2.779 98 T HA 0.157 4.506 4.350 -0.001 0.000 0.296 98 T C 0.144 174.764 174.700 -0.133 0.000 0.938 98 T CA 0.111 62.144 62.100 -0.112 0.000 1.119 98 T CB 0.763 69.534 68.868 -0.162 0.000 0.891 98 T HN 0.237 8.477 8.240 -0.000 0.000 0.526 99 T N 0.568 115.077 114.554 -0.076 0.000 2.882 99 T HA 0.241 4.591 4.350 -0.001 0.000 0.287 99 T C 1.352 176.003 174.700 -0.081 0.000 1.014 99 T CA -0.845 61.211 62.100 -0.073 0.000 1.049 99 T CB 1.093 69.932 68.868 -0.048 0.000 1.001 99 T HN 0.665 8.905 8.240 -0.000 0.000 0.525 100 E N 0.490 120.648 120.200 -0.071 0.000 2.085 100 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 100 E C 2.255 178.831 176.600 -0.039 0.000 0.994 100 E CA 1.158 57.524 56.400 -0.056 0.000 0.801 100 E CB -0.072 29.599 29.700 -0.048 0.000 0.743 100 E HN 0.671 9.031 8.360 -0.000 0.000 0.453 101 R N 0.880 121.354 120.500 -0.044 0.000 2.083 101 R HA -0.174 4.165 4.340 -0.001 0.000 0.237 101 R C 2.009 178.279 176.300 -0.050 0.000 1.137 101 R CA 2.230 58.304 56.100 -0.044 0.000 0.951 101 R CB -0.232 30.036 30.300 -0.054 0.000 0.851 101 R HN 0.281 8.551 8.270 -0.000 0.000 0.434 102 E N -0.321 119.838 120.200 -0.068 0.000 2.085 102 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 102 E C 1.861 178.436 176.600 -0.041 0.000 0.994 102 E CA 1.357 57.707 56.400 -0.082 0.000 0.801 102 E CB -0.215 29.434 29.700 -0.085 0.000 0.743 102 E HN 0.177 8.537 8.360 -0.000 0.000 0.453 103 L N 1.262 122.480 121.223 -0.008 0.000 1.994 103 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 103 L C 2.183 179.169 176.870 0.193 0.000 1.071 103 L CA 1.770 56.658 54.840 0.080 0.000 0.745 103 L CB -0.245 41.855 42.059 0.068 0.000 0.892 103 L HN -0.053 8.177 8.230 -0.000 0.000 0.431 104 R N -0.492 120.081 120.500 0.122 0.000 2.083 104 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 104 R C 1.964 178.351 176.300 0.145 0.000 1.137 104 R CA 1.695 57.885 56.100 0.150 0.000 0.951 104 R CB -0.700 29.633 30.300 0.055 0.000 0.851 104 R HN 0.433 8.703 8.270 -0.000 0.000 0.434 105 D N 0.657 121.082 120.400 0.041 0.000 2.123 105 D HA -0.161 4.478 4.640 -0.001 0.000 0.196 105 D C 1.821 178.081 176.300 -0.066 0.000 0.992 105 D CA 0.944 54.936 54.000 -0.014 0.000 0.833 105 D CB -0.189 40.571 40.800 -0.067 0.000 0.954 105 D HN 0.032 8.402 8.370 -0.000 0.000 0.455 106 L N -0.372 120.782 121.223 -0.116 0.000 2.093 106 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 106 L C 2.031 178.691 176.870 -0.351 0.000 1.085 106 L CA 1.236 55.879 54.840 -0.328 0.000 0.755 106 L CB -0.521 41.330 42.059 -0.347 0.000 0.904 106 L HN -0.064 8.166 8.230 -0.000 0.000 0.435 107 F N -0.194 119.674 119.950 -0.137 0.000 2.134 107 F HA -0.200 4.327 4.527 -0.001 0.000 0.299 107 F C 2.502 178.277 175.800 -0.043 0.000 1.097 107 F CA 1.325 59.244 58.000 -0.136 0.000 1.264 107 F CB -0.399 38.556 39.000 -0.076 0.000 1.001 107 F HN 0.102 8.402 8.300 -0.000 0.000 0.479 108 E N 0.269 120.651 120.200 0.304 0.000 2.070 108 E HA -0.239 4.110 4.350 -0.001 0.000 0.197 108 E C 2.515 179.178 176.600 0.106 0.000 1.004 108 E CA 1.111 57.680 56.400 0.281 0.000 0.805 108 E CB -0.842 28.946 29.700 0.146 0.000 0.744 108 E HN 0.388 8.748 8.360 -0.000 0.000 0.451 109 L N -0.202 121.002 121.223 -0.032 0.000 2.056 109 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 109 L C 2.119 178.991 176.870 0.004 0.000 1.078 109 L CA 1.462 56.258 54.840 -0.074 0.000 0.749 109 L CB -0.199 41.715 42.059 -0.241 0.000 0.901 109 L HN 0.277 8.507 8.230 -0.000 0.000 0.433 110 H N -2.918 116.057 119.070 -0.158 0.000 2.595 110 H HA 0.078 4.634 4.556 -0.001 0.000 0.265 110 H C 1.577 176.761 175.328 -0.240 0.000 0.953 110 H CA 0.118 56.025 56.048 -0.236 0.000 1.197 110 H CB 1.140 30.670 29.762 -0.387 0.000 1.438 110 H HN 0.119 8.399 8.280 -0.000 0.000 0.531 111 V N -0.940 118.902 119.914 -0.120 0.000 3.278 111 V HA -0.058 4.061 4.120 -0.001 0.000 0.215 111 V C 1.269 177.254 176.094 -0.181 0.000 1.287 111 V CA 0.343 62.504 62.300 -0.233 0.000 1.302 111 V CB -0.304 31.288 31.823 -0.385 0.000 1.228 111 V HN 0.132 8.322 8.190 -0.000 0.000 0.523 112 F N 2.184 122.171 119.950 0.062 0.000 2.163 112 F HA 0.115 4.642 4.527 -0.001 0.000 0.297 112 F C 2.395 178.201 175.800 0.010 0.000 1.094 112 F CA 1.544 59.564 58.000 0.032 0.000 1.290 112 F CB -1.354 37.663 39.000 0.029 0.000 1.017 112 F HN 0.211 8.511 8.300 -0.000 0.000 0.483 113 G N 0.776 109.682 108.800 0.176 0.000 2.453 113 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.215 113 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.215 113 G C -0.626 174.303 174.900 0.048 0.000 1.201 113 G CA 0.814 45.969 45.100 0.090 0.000 0.784 113 G HN 0.219 8.509 8.290 -0.000 0.000 0.545 114 P HA -0.087 4.333 4.420 -0.000 0.000 0.216 114 P C 2.179 179.476 177.300 -0.004 0.000 1.153 114 P CA 2.093 65.189 63.100 -0.008 0.000 0.858 114 P CB -0.167 31.513 31.700 -0.034 0.000 0.789 115 A N -0.340 122.488 122.820 0.012 0.000 1.902 115 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 115 A C 2.417 180.019 177.584 0.030 0.000 1.181 115 A CA 1.805 53.855 52.037 0.022 0.000 0.623 115 A CB -1.172 17.858 19.000 0.050 0.000 0.818 115 A HN 0.047 8.197 8.150 -0.000 0.000 0.443 116 R N -0.692 119.837 120.500 0.049 0.000 2.075 116 R HA 0.036 4.376 4.340 -0.001 0.000 0.232 116 R C 2.103 178.409 176.300 0.010 0.000 1.126 116 R CA 1.209 57.329 56.100 0.034 0.000 0.963 116 R CB -0.318 30.009 30.300 0.044 0.000 0.858 116 R HN 0.532 8.802 8.270 -0.000 0.000 0.435 117 L N 0.287 121.512 121.223 0.004 0.000 2.056 117 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 117 L C 1.844 178.699 176.870 -0.025 0.000 1.078 117 L CA 1.774 56.607 54.840 -0.012 0.000 0.749 117 L CB -0.361 41.689 42.059 -0.016 0.000 0.901 117 L HN 0.353 8.583 8.230 -0.000 0.000 0.433 118 T N -0.745 113.793 114.554 -0.027 0.000 2.708 118 T HA -0.194 4.155 4.350 -0.001 0.000 0.266 118 T C 1.958 176.638 174.700 -0.033 0.000 1.037 118 T CA 1.033 63.110 62.100 -0.037 0.000 1.146 118 T CB -0.199 68.647 68.868 -0.037 0.000 0.865 118 T HN 0.301 8.541 8.240 -0.000 0.000 0.435 119 R N 0.877 121.365 120.500 -0.020 0.000 2.120 119 R HA 0.029 4.368 4.340 -0.001 0.000 0.234 119 R C 2.761 179.044 176.300 -0.027 0.000 1.123 119 R CA 1.231 57.318 56.100 -0.020 0.000 0.975 119 R CB -0.539 29.756 30.300 -0.007 0.000 0.866 119 R HN 0.404 8.674 8.270 -0.000 0.000 0.446 120 A N 0.707 123.513 122.820 -0.024 0.000 1.972 120 A HA -0.084 4.236 4.320 -0.001 0.000 0.219 120 A C 2.027 179.590 177.584 -0.035 0.000 1.169 120 A CA 1.088 53.109 52.037 -0.025 0.000 0.635 120 A CB -0.178 18.811 19.000 -0.018 0.000 0.810 120 A HN 0.200 8.350 8.150 -0.000 0.000 0.446 121 L N -1.321 119.876 121.223 -0.043 0.000 2.556 121 L HA 0.087 4.427 4.340 -0.001 0.000 0.226 121 L C 1.979 178.809 176.870 -0.066 0.000 1.089 121 L CA -0.239 54.569 54.840 -0.054 0.000 0.864 121 L CB -0.133 41.890 42.059 -0.061 0.000 1.067 121 L HN 0.201 8.431 8.230 -0.000 0.000 0.477 122 L N 1.117 122.300 121.223 -0.067 0.000 2.013 122 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 122 L C -0.111 176.691 176.870 -0.114 0.000 1.073 122 L CA 2.393 57.182 54.840 -0.085 0.000 0.753 122 L CB -1.896 40.119 42.059 -0.073 0.000 0.890 122 L HN 0.125 8.355 8.230 -0.000 0.000 0.432 123 P HA -0.147 4.273 4.420 -0.000 0.000 0.215 123 P C 0.369 177.599 177.300 -0.116 0.000 1.153 123 P CA 0.729 63.755 63.100 -0.124 0.000 0.853 123 P CB -0.106 31.541 31.700 -0.089 0.000 0.788 127 E N 1.137 121.237 120.200 -0.168 0.000 2.072 127 E HA -0.081 4.269 4.350 -0.001 0.000 0.190 127 E C 1.809 178.380 176.600 -0.047 0.000 0.982 127 E CA 1.120 57.463 56.400 -0.095 0.000 0.803 127 E CB 0.094 29.748 29.700 -0.077 0.000 0.755 127 E HN 0.103 8.463 8.360 -0.000 0.000 0.453 128 R N -0.227 120.247 120.500 -0.043 0.000 2.092 128 R HA -0.084 4.255 4.340 -0.001 0.000 0.231 128 R C 0.972 177.274 176.300 0.003 0.000 1.119 128 R CA 1.332 57.421 56.100 -0.017 0.000 0.970 128 R CB -0.026 30.262 30.300 -0.020 0.000 0.864 128 R HN 0.296 8.566 8.270 -0.000 0.000 0.440 129 G N 0.082 108.887 108.800 0.009 0.000 2.132 129 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.228 129 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.228 129 G C -0.292 174.636 174.900 0.047 0.000 1.000 129 G CA 0.356 45.492 45.100 0.060 0.000 0.693 129 G HN 0.661 8.951 8.290 -0.000 0.000 0.515 130 S N -1.674 114.036 115.700 0.018 0.000 2.565 130 S HA 1.032 5.502 4.470 -0.001 0.000 0.269 130 S C -0.175 174.411 174.600 -0.024 0.000 1.153 130 S CA 0.182 58.385 58.200 0.004 0.000 0.835 130 S CB 2.374 65.575 63.200 0.001 0.000 1.122 130 S HN 2.376 10.686 8.310 -0.000 0.000 0.462 131 G N 0.189 108.964 108.800 -0.042 0.000 2.352 131 G HA2 0.455 4.414 3.960 -0.001 0.000 0.305 131 G HA3 0.455 4.414 3.960 -0.001 0.000 0.305 131 G C -1.431 173.408 174.900 -0.102 0.000 1.537 131 G CA -0.575 44.475 45.100 -0.084 0.000 0.959 131 G HN 1.058 9.348 8.290 -0.000 0.000 0.668 132 S N -1.131 114.468 115.700 -0.169 0.000 2.538 132 S HA 0.734 5.204 4.470 -0.001 0.000 0.288 132 S C -0.459 174.014 174.600 -0.211 0.000 1.108 132 S CA -0.612 57.476 58.200 -0.186 0.000 0.971 132 S CB 2.023 65.072 63.200 -0.252 0.000 1.041 132 S HN 1.063 9.373 8.310 -0.000 0.000 0.483 133 V N 3.501 123.323 119.914 -0.154 0.000 2.378 133 V HA 0.468 4.587 4.120 -0.001 0.000 0.288 133 V C -0.697 175.317 176.094 -0.133 0.000 1.016 133 V CA -0.578 61.635 62.300 -0.145 0.000 0.840 133 V CB 1.602 33.367 31.823 -0.097 0.000 0.994 133 V HN 0.678 8.868 8.190 -0.000 0.000 0.431 134 V N 5.156 124.976 119.914 -0.157 0.000 2.304 134 V HA 0.372 4.492 4.120 -0.001 0.000 0.278 134 V C 0.013 176.050 176.094 -0.096 0.000 1.018 134 V CA -0.644 61.582 62.300 -0.122 0.000 0.814 134 V CB 1.106 32.837 31.823 -0.153 0.000 1.021 134 V HN 0.903 9.093 8.190 -0.000 0.000 0.440 135 N N 5.253 123.911 118.700 -0.071 0.000 2.426 135 N HA 0.446 5.185 4.740 -0.001 0.000 0.257 135 N C -0.713 174.764 175.510 -0.054 0.000 1.002 135 N CA -0.755 52.251 53.050 -0.073 0.000 0.942 135 N CB 1.340 39.781 38.487 -0.077 0.000 1.112 135 N HN 0.426 8.806 8.380 -0.000 0.000 0.499 136 I N 1.927 122.463 120.570 -0.057 0.000 2.322 136 I HA 0.107 4.277 4.170 -0.001 0.000 0.292 136 I C 0.888 176.962 176.117 -0.071 0.000 1.060 136 I CA 0.500 61.798 61.300 -0.002 0.000 1.309 136 I CB 0.278 38.298 38.000 0.034 0.000 1.415 136 I HN 0.515 8.725 8.210 -0.000 0.000 0.492 137 S N 4.642 120.310 115.700 -0.053 0.000 3.617 137 S HA 0.702 5.171 4.470 -0.001 0.000 0.220 137 S C 0.016 174.556 174.600 -0.099 0.000 1.040 137 S CA -0.195 57.915 58.200 -0.150 0.000 1.454 137 S CB 1.393 64.520 63.200 -0.122 0.000 1.045 137 S HN 0.690 9.000 8.310 -0.000 0.000 0.658 138 S N -1.549 114.082 115.700 -0.115 0.000 2.595 138 S HA 0.344 4.813 4.470 -0.001 0.000 0.270 138 S C 0.256 174.789 174.600 -0.112 0.000 1.145 138 S CA -0.062 58.050 58.200 -0.148 0.000 0.825 138 S CB -0.021 63.067 63.200 -0.187 0.000 1.107 138 S HN 0.749 9.059 8.310 -0.000 0.000 0.461 139 F N 1.254 121.253 119.950 0.082 0.000 2.236 139 F HA 0.183 4.710 4.527 -0.001 0.000 0.302 139 F C 1.955 177.760 175.800 0.009 0.000 1.073 139 F CA 1.536 59.575 58.000 0.065 0.000 1.336 139 F CB -1.195 37.882 39.000 0.128 0.000 1.040 139 F HN 0.563 8.863 8.300 -0.000 0.000 0.507 140 G N 0.284 108.905 108.800 -0.298 0.000 2.535 140 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.218 140 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.218 140 G C 1.787 176.568 174.900 -0.198 0.000 1.122 140 G CA 0.437 45.454 45.100 -0.138 0.000 0.769 140 G HN 0.666 8.956 8.290 -0.000 0.000 0.549 141 G N -0.451 108.240 108.800 -0.183 0.000 2.559 141 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.216 141 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.216 141 G C 1.464 176.295 174.900 -0.115 0.000 1.126 141 G CA 0.468 45.462 45.100 -0.177 0.000 0.778 141 G HN 0.539 8.829 8.290 -0.000 0.000 0.543 142 Q N -1.290 118.454 119.800 -0.094 0.000 2.185 142 Q HA 0.355 4.694 4.340 -0.001 0.000 0.234 142 Q C -0.346 175.475 176.000 -0.298 0.000 0.819 142 Q CA -0.138 55.606 55.803 -0.098 0.000 0.961 142 Q CB 1.017 29.748 28.738 -0.010 0.000 1.140 142 Q HN 0.482 8.752 8.270 -0.000 0.000 0.492 143 L N -4.646 116.397 121.223 -0.300 0.000 2.710 143 L HA 0.806 5.146 4.340 -0.001 0.000 0.260 143 L C -0.877 175.870 176.870 -0.205 0.000 0.993 143 L CA -0.713 53.863 54.840 -0.440 0.000 0.877 143 L CB 2.003 43.710 42.059 -0.586 0.000 1.461 143 L HN -0.233 7.997 8.230 -0.000 0.000 0.413 144 S N -0.219 115.395 115.700 -0.142 0.000 2.732 144 S HA 0.991 5.460 4.470 -0.001 0.000 0.293 144 S C -1.377 173.158 174.600 -0.107 0.000 1.159 144 S CA -0.265 57.807 58.200 -0.213 0.000 0.847 144 S CB 1.332 64.472 63.200 -0.101 0.000 1.169 144 S HN 0.932 9.242 8.310 -0.000 0.000 0.501 145 F N -0.960 119.082 119.950 0.153 0.000 3.250 145 F HA 0.791 5.318 4.527 -0.001 0.000 0.326 145 F C -0.412 175.460 175.800 0.121 0.000 1.154 145 F CA -1.387 56.672 58.000 0.099 0.000 0.870 145 F CB 0.339 39.365 39.000 0.044 0.000 1.476 145 F HN 0.634 8.934 8.300 -0.000 0.000 0.491 146 A N 0.469 123.544 122.820 0.424 0.000 2.511 146 A HA 0.447 4.766 4.320 -0.001 0.000 0.242 146 A C 1.286 179.044 177.584 0.290 0.000 1.069 146 A CA 0.885 53.090 52.037 0.279 0.000 0.763 146 A CB -1.000 18.135 19.000 0.226 0.000 1.001 146 A HN 2.413 10.563 8.150 -0.000 0.000 0.498 147 G N 0.700 109.622 108.800 0.204 0.000 2.199 147 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.254 147 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.254 147 G C 0.432 175.498 174.900 0.277 0.000 0.982 147 G CA 0.747 45.965 45.100 0.197 0.000 0.632 147 G HN 1.022 9.312 8.290 -0.000 0.000 0.529 148 F N 1.620 121.562 119.950 -0.014 0.000 2.683 148 F HA 0.250 4.777 4.527 -0.001 0.000 0.306 148 F C 2.303 178.054 175.800 -0.081 0.000 1.102 148 F CA 0.800 58.730 58.000 -0.117 0.000 1.244 148 F CB 0.517 39.269 39.000 -0.413 0.000 1.029 148 F HN 0.277 8.577 8.300 -0.000 0.000 0.545 149 S N 0.294 116.035 115.700 0.069 0.000 2.356 149 S HA -0.195 4.274 4.470 -0.001 0.000 0.223 149 S C 2.254 176.846 174.600 -0.013 0.000 1.032 149 S CA 1.034 59.265 58.200 0.052 0.000 1.005 149 S CB -0.620 62.697 63.200 0.195 0.000 0.867 149 S HN 0.287 8.597 8.310 -0.000 0.000 0.449 150 A N 0.848 123.658 122.820 -0.018 0.000 1.877 150 A HA 0.003 4.322 4.320 -0.001 0.000 0.216 150 A C 2.087 179.529 177.584 -0.238 0.000 1.186 150 A CA 1.516 53.506 52.037 -0.079 0.000 0.620 150 A CB -1.418 17.546 19.000 -0.059 0.000 0.822 150 A HN 0.637 8.787 8.150 -0.000 0.000 0.443 151 Y N 1.403 121.442 120.300 -0.436 0.000 2.070 151 Y HA -0.261 4.288 4.550 -0.001 0.000 0.280 151 Y C 2.863 178.378 175.900 -0.642 0.000 1.148 151 Y CA 2.233 59.967 58.100 -0.609 0.000 1.125 151 Y CB -0.475 37.411 38.460 -0.956 0.000 0.975 151 Y HN 0.316 8.596 8.280 -0.000 0.000 0.492 152 S N 0.398 115.744 115.700 -0.591 0.000 2.374 152 S HA -0.299 4.170 4.470 -0.001 0.000 0.227 152 S C 2.230 176.617 174.600 -0.355 0.000 1.037 152 S CA 1.192 59.119 58.200 -0.454 0.000 1.024 152 S CB -0.971 62.054 63.200 -0.292 0.000 0.861 152 S HN 0.657 8.967 8.310 -0.000 0.000 0.456 153 A N 1.636 124.294 122.820 -0.269 0.000 1.908 153 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 153 A C 2.482 179.866 177.584 -0.332 0.000 1.181 153 A CA 2.295 54.237 52.037 -0.157 0.000 0.627 153 A CB -1.469 17.561 19.000 0.049 0.000 0.818 153 A HN 0.671 8.821 8.150 -0.000 0.000 0.445 154 T N -2.866 111.276 114.554 -0.686 0.000 2.857 154 T HA -0.068 4.281 4.350 -0.001 0.000 0.266 154 T C 1.827 176.203 174.700 -0.541 0.000 1.048 154 T CA 1.339 62.912 62.100 -0.878 0.000 1.139 154 T CB -0.146 68.188 68.868 -0.891 0.000 0.874 154 T HN 0.242 8.482 8.240 -0.000 0.000 0.455 155 K N 1.781 121.825 120.400 -0.593 0.000 2.103 155 K HA 0.307 4.626 4.320 -0.001 0.000 0.204 155 K C 2.677 179.084 176.600 -0.320 0.000 1.052 155 K CA 1.279 57.251 56.287 -0.525 0.000 0.945 155 K CB -1.084 31.020 32.500 -0.660 0.000 0.722 155 K HN 0.517 8.767 8.250 -0.000 0.000 0.443 156 A N 1.301 123.962 122.820 -0.264 0.000 1.930 156 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 156 A C 2.370 179.887 177.584 -0.112 0.000 1.175 156 A CA 1.911 53.855 52.037 -0.155 0.000 0.627 156 A CB -0.509 18.422 19.000 -0.115 0.000 0.815 156 A HN 0.270 8.420 8.150 -0.000 0.000 0.443 157 A N -0.240 122.514 122.820 -0.111 0.000 1.873 157 A HA -0.041 4.279 4.320 -0.001 0.000 0.215 157 A C 2.159 179.686 177.584 -0.095 0.000 1.186 157 A CA 1.431 53.432 52.037 -0.059 0.000 0.616 157 A CB -0.596 18.418 19.000 0.023 0.000 0.823 157 A HN 0.501 8.651 8.150 -0.000 0.000 0.442 158 L N 0.007 121.141 121.223 -0.149 0.000 2.012 158 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 158 L C 2.382 179.187 176.870 -0.108 0.000 1.073 158 L CA 2.415 57.169 54.840 -0.144 0.000 0.748 158 L CB -0.831 41.108 42.059 -0.201 0.000 0.891 158 L HN 0.539 8.769 8.230 -0.000 0.000 0.431 159 E N -0.671 119.462 120.200 -0.110 0.000 2.085 159 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 159 E C 2.089 178.660 176.600 -0.049 0.000 0.994 159 E CA 1.095 57.450 56.400 -0.074 0.000 0.801 159 E CB -0.023 29.635 29.700 -0.070 0.000 0.743 159 E HN 0.574 8.934 8.360 -0.000 0.000 0.453 160 Q N 0.220 119.992 119.800 -0.047 0.000 2.123 160 Q HA -0.072 4.268 4.340 -0.001 0.000 0.199 160 Q C 2.278 178.263 176.000 -0.025 0.000 0.966 160 Q CA 0.526 56.312 55.803 -0.028 0.000 0.845 160 Q CB -0.281 28.444 28.738 -0.021 0.000 0.907 160 Q HN 0.201 8.471 8.270 -0.000 0.000 0.439 161 L N 0.725 121.927 121.223 -0.035 0.000 2.042 161 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 161 L C 2.216 179.070 176.870 -0.026 0.000 1.076 161 L CA 1.686 56.508 54.840 -0.030 0.000 0.749 161 L CB -1.205 40.829 42.059 -0.042 0.000 0.893 161 L HN 0.095 8.325 8.230 -0.000 0.000 0.432 162 S N -0.972 114.708 115.700 -0.034 0.000 2.355 162 S HA -0.154 4.316 4.470 -0.001 0.000 0.222 162 S C 1.764 176.353 174.600 -0.017 0.000 1.031 162 S CA 0.994 59.176 58.200 -0.029 0.000 0.993 162 S CB -0.175 63.003 63.200 -0.038 0.000 0.859 162 S HN 0.485 8.795 8.310 -0.000 0.000 0.453 163 E N 0.798 120.989 120.200 -0.015 0.000 2.058 163 E HA -0.130 4.219 4.350 -0.001 0.000 0.194 163 E C 2.385 178.983 176.600 -0.003 0.000 0.997 163 E CA 1.109 57.505 56.400 -0.007 0.000 0.801 163 E CB -0.463 29.235 29.700 -0.004 0.000 0.746 163 E HN 0.569 8.929 8.360 -0.000 0.000 0.450 164 G N 1.673 110.472 108.800 -0.003 0.000 2.433 164 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.216 164 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.216 164 G C 1.595 176.500 174.900 0.008 0.000 1.186 164 G CA 0.758 45.859 45.100 0.002 0.000 0.779 164 G HN 0.181 8.471 8.290 -0.000 0.000 0.543 165 L N 1.601 122.828 121.223 0.006 0.000 2.013 165 L HA 0.009 4.348 4.340 -0.001 0.000 0.212 165 L C 3.078 179.960 176.870 0.020 0.000 1.073 165 L CA 2.462 57.310 54.840 0.014 0.000 0.753 165 L CB -0.883 41.177 42.059 0.002 0.000 0.890 165 L HN 0.258 8.488 8.230 -0.000 0.000 0.432 166 A N -0.762 122.063 122.820 0.008 0.000 1.927 166 A HA -0.343 3.977 4.320 -0.001 0.000 0.220 166 A C 2.137 179.725 177.584 0.007 0.000 1.185 166 A CA 2.239 54.281 52.037 0.007 0.000 0.639 166 A CB -1.182 17.818 19.000 -0.001 0.000 0.820 166 A HN 0.637 8.787 8.150 -0.000 0.000 0.451 167 D N -0.783 119.619 120.400 0.003 0.000 2.144 167 D HA -0.106 4.533 4.640 -0.001 0.000 0.200 167 D C 1.914 178.209 176.300 -0.008 0.000 0.978 167 D CA 1.477 55.474 54.000 -0.006 0.000 0.833 167 D CB -0.199 40.598 40.800 -0.004 0.000 0.961 167 D HN 0.641 9.011 8.370 -0.000 0.000 0.470 168 E N -0.657 119.554 120.200 0.018 0.000 2.152 168 E HA -0.086 4.263 4.350 -0.001 0.000 0.192 168 E C 1.983 178.636 176.600 0.089 0.000 0.983 168 E CA 1.154 57.582 56.400 0.047 0.000 0.818 168 E CB 0.290 30.035 29.700 0.075 0.000 0.758 168 E HN 0.356 8.716 8.360 -0.000 0.000 0.467 169 V N -3.082 116.898 119.914 0.111 0.000 3.578 169 V HA 0.374 4.494 4.120 -0.001 0.000 0.290 169 V C 1.914 178.066 176.094 0.097 0.000 1.376 169 V CA 0.510 62.960 62.300 0.250 0.000 1.083 169 V CB 0.363 32.330 31.823 0.239 0.000 0.911 169 V HN 0.129 8.319 8.190 -0.000 0.000 0.433 170 A N 1.734 124.546 122.820 -0.013 0.000 1.917 170 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 170 A C 0.647 178.157 177.584 -0.124 0.000 1.182 170 A CA 2.381 54.389 52.037 -0.048 0.000 0.633 170 A CB -1.946 17.024 19.000 -0.049 0.000 0.819 170 A HN 0.633 8.783 8.150 -0.000 0.000 0.448 171 P HA -0.086 4.334 4.420 -0.000 0.000 0.225 171 P C 0.472 177.510 177.300 -0.437 0.000 1.148 171 P CA 0.831 63.685 63.100 -0.409 0.000 0.779 171 P CB -0.171 31.173 31.700 -0.594 0.000 0.780 172 F N -2.059 117.883 119.950 -0.013 0.000 2.693 172 F HA 0.388 4.915 4.527 -0.001 0.000 0.303 172 F C 1.691 177.481 175.800 -0.017 0.000 1.097 172 F CA 0.180 58.171 58.000 -0.014 0.000 1.330 172 F CB -0.531 38.459 39.000 -0.017 0.000 1.067 172 F HN -0.076 8.224 8.300 -0.000 0.000 0.565 173 G N 1.540 110.395 108.800 0.092 0.000 2.153 173 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.252 173 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.252 173 G C 0.132 175.066 174.900 0.056 0.000 0.994 173 G CA -0.169 44.964 45.100 0.055 0.000 0.698 173 G HN 0.360 8.650 8.290 -0.000 0.000 0.521 174 I N 0.267 120.888 120.570 0.084 0.000 2.395 174 I HA 0.329 4.499 4.170 -0.001 0.000 0.289 174 I C 0.650 176.776 176.117 0.016 0.000 1.023 174 I CA -0.278 61.049 61.300 0.045 0.000 1.350 174 I CB 1.115 39.152 38.000 0.063 0.000 1.409 174 I HN -0.039 8.171 8.210 -0.000 0.000 0.507 175 K N 5.002 125.393 120.400 -0.015 0.000 2.183 175 K HA 0.622 4.942 4.320 -0.001 0.000 0.274 175 K C -1.203 175.374 176.600 -0.039 0.000 1.009 175 K CA -0.544 55.729 56.287 -0.024 0.000 0.888 175 K CB 1.939 34.419 32.500 -0.032 0.000 1.078 175 K HN 0.282 8.532 8.250 -0.000 0.000 0.459 176 V N 4.429 124.327 119.914 -0.028 0.000 2.483 176 V HA 0.367 4.486 4.120 -0.001 0.000 0.297 176 V C -1.284 174.794 176.094 -0.026 0.000 1.027 176 V CA -0.922 61.357 62.300 -0.034 0.000 0.855 176 V CB 1.468 33.277 31.823 -0.023 0.000 0.995 176 V HN 0.519 8.709 8.190 -0.000 0.000 0.424 177 L N 6.743 127.946 121.223 -0.033 0.000 2.376 177 L HA 0.673 5.013 4.340 -0.001 0.000 0.275 177 L C -0.681 176.182 176.870 -0.011 0.000 0.987 177 L CA -0.006 54.826 54.840 -0.013 0.000 0.828 177 L CB 1.515 43.569 42.059 -0.008 0.000 1.249 177 L HN 0.567 8.797 8.230 -0.000 0.000 0.409 178 I N 5.838 126.409 120.570 0.002 0.000 2.325 178 I HA 0.355 4.525 4.170 -0.001 0.000 0.291 178 I C -0.462 175.676 176.117 0.036 0.000 1.019 178 I CA -0.654 60.647 61.300 0.002 0.000 1.302 178 I CB 1.427 39.423 38.000 -0.006 0.000 1.401 178 I HN 0.274 8.483 8.210 -0.000 0.000 0.485 179 V N 6.339 126.287 119.914 0.056 0.000 2.427 179 V HA 0.269 4.388 4.120 -0.001 0.000 0.286 179 V C 0.085 176.252 176.094 0.122 0.000 1.034 179 V CA -0.554 61.821 62.300 0.125 0.000 0.893 179 V CB 1.397 33.347 31.823 0.211 0.000 0.982 179 V HN 0.696 8.886 8.190 -0.000 0.000 0.452 180 E N 6.043 126.319 120.200 0.128 0.000 2.916 180 E HA 0.304 4.654 4.350 -0.001 0.000 0.217 180 E C -2.644 174.033 176.600 0.130 0.000 1.100 180 E CA -1.523 54.943 56.400 0.110 0.000 0.891 180 E CB 1.613 31.381 29.700 0.114 0.000 1.311 180 E HN 0.524 8.884 8.360 -0.000 0.000 0.421 181 P HA 0.211 4.631 4.420 -0.000 0.000 0.281 181 P C 0.188 177.492 177.300 0.006 0.000 1.264 181 P CA -0.225 62.852 63.100 -0.038 0.000 0.824 181 P CB 1.514 33.115 31.700 -0.164 0.000 1.092 182 G N -0.273 108.485 108.800 -0.071 0.000 2.630 182 G HA2 0.541 4.501 3.960 -0.001 0.000 0.223 182 G HA3 0.541 4.501 3.960 -0.001 0.000 0.223 182 G C -0.528 174.202 174.900 -0.284 0.000 1.434 182 G CA -0.516 44.651 45.100 0.113 0.000 1.057 182 G HN 0.638 8.928 8.290 -0.000 0.000 0.570 183 A N -1.334 121.396 122.820 -0.149 0.000 2.351 183 A HA 0.654 4.973 4.320 -0.001 0.000 0.257 183 A C -1.124 176.240 177.584 -0.366 0.000 1.087 183 A CA -0.107 51.820 52.037 -0.183 0.000 0.798 183 A CB 0.194 19.198 19.000 0.006 0.000 1.033 183 A HN 0.332 8.482 8.150 -0.000 0.000 0.488 184 F N -0.433 119.529 119.950 0.020 0.000 2.538 184 F HA 0.638 5.165 4.527 -0.001 0.000 0.325 184 F C 1.169 176.999 175.800 0.050 0.000 1.066 184 F CA -0.117 57.886 58.000 0.005 0.000 0.946 184 F CB 1.278 40.261 39.000 -0.029 0.000 1.199 184 F HN 0.840 9.140 8.300 -0.000 0.000 0.473 185 R N -0.612 120.061 120.500 0.288 0.000 2.623 185 R HA 0.425 4.765 4.340 -0.001 0.000 0.271 185 R C 0.649 177.083 176.300 0.224 0.000 1.043 185 R CA 0.474 56.695 56.100 0.202 0.000 1.083 185 R CB -0.894 29.505 30.300 0.164 0.000 0.974 185 R HN 0.894 9.164 8.270 -0.000 0.000 0.436 186 T N -2.671 111.984 114.554 0.169 0.000 3.043 186 T HA -0.009 4.341 4.350 -0.001 0.000 0.272 186 T C 1.181 175.953 174.700 0.119 0.000 0.990 186 T CA 0.532 62.733 62.100 0.167 0.000 0.897 186 T CB -0.261 68.694 68.868 0.146 0.000 1.111 186 T HN 0.810 9.050 8.240 -0.000 0.000 0.529 187 N N 0.962 119.714 118.700 0.087 0.000 2.409 187 N HA 0.105 4.844 4.740 -0.001 0.000 0.179 187 N C 2.008 177.510 175.510 -0.014 0.000 1.032 187 N CA 0.997 54.069 53.050 0.037 0.000 0.898 187 N CB -0.410 38.094 38.487 0.028 0.000 0.971 187 N HN 0.373 8.753 8.380 -0.000 0.000 0.441 188 L N -1.185 120.007 121.223 -0.052 0.000 2.269 188 L HA 0.419 4.758 4.340 -0.001 0.000 0.200 188 L C 1.783 178.468 176.870 -0.309 0.000 1.069 188 L CA 0.794 55.480 54.840 -0.257 0.000 0.804 188 L CB -1.500 40.277 42.059 -0.470 0.000 0.987 188 L HN 0.209 8.439 8.230 -0.000 0.000 0.468 189 F N 0.359 120.327 119.950 0.029 0.000 2.749 189 F HA 0.548 5.074 4.527 -0.001 0.000 0.300 189 F C 1.634 177.457 175.800 0.038 0.000 1.103 189 F CA 0.132 58.148 58.000 0.026 0.000 1.342 189 F CB -0.208 38.799 39.000 0.010 0.000 1.098 189 F HN 0.481 8.781 8.300 -0.000 0.000 0.586 190 G N 0.674 109.582 108.800 0.179 0.000 2.750 190 G HA2 0.149 4.108 3.960 -0.001 0.000 0.228 190 G HA3 0.149 4.108 3.960 -0.001 0.000 0.228 190 G C -0.464 174.534 174.900 0.164 0.000 1.367 190 G CA -0.316 44.869 45.100 0.142 0.000 0.871 190 G HN 0.514 8.804 8.290 -0.000 0.000 0.560 191 K N -0.663 119.821 120.400 0.140 0.000 2.395 191 K HA 0.966 5.286 4.320 -0.001 0.000 0.247 191 K C 0.779 177.459 176.600 0.133 0.000 0.973 191 K CA 0.624 57.001 56.287 0.150 0.000 0.828 191 K CB 1.458 34.046 32.500 0.147 0.000 1.272 191 K HN 2.323 10.573 8.250 -0.000 0.000 0.439 192 G N -0.254 108.630 108.800 0.140 0.000 2.616 192 G HA2 0.538 4.498 3.960 -0.001 0.000 0.268 192 G HA3 0.538 4.498 3.960 -0.001 0.000 0.268 192 G C 0.434 175.402 174.900 0.114 0.000 1.213 192 G CA 0.210 45.384 45.100 0.122 0.000 0.926 192 G HN 1.402 9.692 8.290 -0.000 0.000 0.523 193 A N -0.947 121.930 122.820 0.096 0.000 2.386 193 A HA 0.667 4.987 4.320 -0.001 0.000 0.248 193 A C 0.476 178.105 177.584 0.074 0.000 1.082 193 A CA 0.516 52.605 52.037 0.087 0.000 0.789 193 A CB 0.428 19.468 19.000 0.066 0.000 1.025 193 A HN 2.013 10.162 8.150 -0.000 0.000 0.490 194 A N 0.555 123.420 122.820 0.075 0.000 2.455 194 A HA 0.607 4.927 4.320 -0.001 0.000 0.300 194 A C -1.425 176.127 177.584 -0.053 0.000 1.040 194 A CA -0.341 51.669 52.037 -0.045 0.000 0.697 194 A CB 0.937 19.941 19.000 0.006 0.000 1.265 194 A HN 1.186 9.336 8.150 -0.000 0.000 0.407 195 Y N 1.308 121.375 120.300 -0.390 0.000 2.393 195 Y HA 0.734 5.284 4.550 -0.001 0.000 0.341 195 Y C -1.650 173.908 175.900 -0.569 0.000 0.988 195 Y CA -1.446 56.477 58.100 -0.295 0.000 1.078 195 Y CB 1.440 39.810 38.460 -0.150 0.000 1.203 195 Y HN 0.518 8.798 8.280 -0.000 0.000 0.453 196 F N 3.498 123.031 119.950 -0.694 0.000 2.445 196 F HA 0.407 4.933 4.527 -0.001 0.000 0.348 196 F C 0.460 175.798 175.800 -0.770 0.000 1.125 196 F CA -0.768 56.935 58.000 -0.495 0.000 0.983 196 F CB 1.517 40.372 39.000 -0.242 0.000 1.198 196 F HN 0.358 8.658 8.300 -0.000 0.000 0.436 197 S N 1.507 116.985 115.700 -0.370 0.000 2.576 197 S HA 0.023 4.493 4.470 -0.001 0.000 0.272 197 S C 0.116 174.681 174.600 -0.058 0.000 1.352 197 S CA -0.712 57.392 58.200 -0.159 0.000 1.021 197 S CB 0.275 63.496 63.200 0.035 0.000 0.887 197 S HN 0.733 9.043 8.310 -0.000 0.000 0.542 198 E N 1.172 121.373 120.200 0.002 0.000 2.442 198 E HA -0.006 4.343 4.350 -0.001 0.000 0.262 198 E C -0.815 175.818 176.600 0.055 0.000 1.004 198 E CA 0.166 56.584 56.400 0.031 0.000 0.928 198 E CB 0.289 30.019 29.700 0.051 0.000 0.937 198 E HN 0.502 8.862 8.360 -0.000 0.000 0.446 199 E N 3.114 123.351 120.200 0.063 0.000 2.081 199 E HA 0.180 4.529 4.350 -0.001 0.000 0.276 199 E C -1.006 175.662 176.600 0.113 0.000 0.950 199 E CA -0.589 55.870 56.400 0.099 0.000 0.776 199 E CB 0.982 30.732 29.700 0.084 0.000 1.094 199 E HN 0.455 8.815 8.360 -0.000 0.000 0.402 200 N N 3.248 122.048 118.700 0.166 0.000 2.444 200 N HA 0.054 4.794 4.740 -0.001 0.000 0.255 200 N C -1.755 173.820 175.510 0.109 0.000 1.255 200 N CA -1.217 51.915 53.050 0.137 0.000 0.933 200 N CB 0.532 39.114 38.487 0.159 0.000 1.143 200 N HN 0.234 8.614 8.380 -0.000 0.000 0.453 201 P HA -0.157 4.263 4.420 -0.000 0.000 0.218 201 P C 0.386 177.683 177.300 -0.006 0.000 1.146 201 P CA 1.083 64.199 63.100 0.027 0.000 0.813 201 P CB 0.141 31.847 31.700 0.011 0.000 0.778 202 A N -2.347 120.438 122.820 -0.059 0.000 2.066 202 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 202 A C 1.309 178.724 177.584 -0.282 0.000 1.157 202 A CA 1.254 53.167 52.037 -0.206 0.000 0.670 202 A CB -1.198 17.606 19.000 -0.328 0.000 0.804 202 A HN 0.194 8.344 8.150 -0.000 0.000 0.453 203 Y N -1.891 118.438 120.300 0.048 0.000 2.453 203 Y HA 0.414 4.964 4.550 -0.001 0.000 0.247 203 Y C 2.386 178.318 175.900 0.053 0.000 1.124 203 Y CA -0.365 57.770 58.100 0.059 0.000 1.243 203 Y CB -0.229 38.277 38.460 0.075 0.000 1.213 203 Y HN 0.250 8.530 8.280 -0.000 0.000 0.523 204 A N 0.560 123.476 122.820 0.160 0.000 1.917 204 A HA -0.294 4.026 4.320 -0.001 0.000 0.219 204 A C 2.110 179.744 177.584 0.083 0.000 1.182 204 A CA 2.258 54.359 52.037 0.106 0.000 0.633 204 A CB -0.560 18.479 19.000 0.065 0.000 0.819 204 A HN 0.514 8.664 8.150 -0.000 0.000 0.448 205 E N -0.580 119.661 120.200 0.069 0.000 2.077 205 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 205 E C 1.879 178.517 176.600 0.065 0.000 0.989 205 E CA 1.354 57.785 56.400 0.051 0.000 0.800 205 E CB 0.005 29.726 29.700 0.035 0.000 0.746 205 E HN 0.430 8.790 8.360 -0.000 0.000 0.452 206 K N -0.157 120.306 120.400 0.105 0.000 2.098 206 K HA -0.005 4.314 4.320 -0.001 0.000 0.203 206 K C 2.103 178.778 176.600 0.125 0.000 1.051 206 K CA 0.694 57.053 56.287 0.119 0.000 0.957 206 K CB 0.094 32.698 32.500 0.173 0.000 0.738 206 K HN 0.110 8.360 8.250 -0.000 0.000 0.447 207 V N 0.581 120.580 119.914 0.143 0.000 2.725 207 V HA -0.044 4.076 4.120 -0.001 0.000 0.247 207 V C 2.345 178.500 176.094 0.101 0.000 1.058 207 V CA 1.547 63.930 62.300 0.137 0.000 1.080 207 V CB -0.580 31.327 31.823 0.140 0.000 0.713 207 V HN 0.347 8.537 8.190 -0.000 0.000 0.465 208 G N 1.493 110.338 108.800 0.074 0.000 2.631 208 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.219 208 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.219 208 G C -0.213 174.698 174.900 0.019 0.000 1.214 208 G CA 1.442 46.563 45.100 0.036 0.000 0.785 208 G HN 0.474 8.764 8.290 -0.000 0.000 0.596 209 P HA -0.025 4.395 4.420 -0.000 0.000 0.219 209 P C 1.988 179.281 177.300 -0.010 0.000 1.146 209 P CA 1.630 64.720 63.100 -0.016 0.000 0.808 209 P CB -0.181 31.496 31.700 -0.038 0.000 0.779 210 T N -0.905 113.668 114.554 0.033 0.000 2.737 210 T HA -0.143 4.206 4.350 -0.001 0.000 0.265 210 T C 1.868 176.626 174.700 0.096 0.000 1.038 210 T CA 1.124 63.268 62.100 0.072 0.000 1.144 210 T CB -0.460 68.512 68.868 0.172 0.000 0.866 210 T HN 0.137 8.377 8.240 -0.000 0.000 0.434 211 R N 0.768 121.335 120.500 0.112 0.000 2.103 211 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 211 R C 2.473 178.775 176.300 0.003 0.000 1.142 211 R CA 1.707 57.869 56.100 0.103 0.000 0.960 211 R CB -0.220 30.068 30.300 -0.020 0.000 0.858 211 R HN 0.238 8.508 8.270 -0.000 0.000 0.439 212 Q N 0.341 120.129 119.800 -0.019 0.000 2.061 212 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 212 Q C 1.986 177.985 176.000 -0.001 0.000 0.984 212 Q CA 1.716 57.498 55.803 -0.034 0.000 0.846 212 Q CB -0.309 28.409 28.738 -0.033 0.000 0.902 212 Q HN 0.354 8.624 8.270 -0.000 0.000 0.421 213 L N -0.776 120.458 121.223 0.019 0.000 2.017 213 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 213 L C 1.963 178.882 176.870 0.082 0.000 1.073 213 L CA 1.616 56.483 54.840 0.046 0.000 0.745 213 L CB -0.631 41.456 42.059 0.046 0.000 0.894 213 L HN 0.113 8.343 8.230 -0.000 0.000 0.432 214 V N -0.700 119.275 119.914 0.102 0.000 2.548 214 V HA -0.228 3.892 4.120 -0.001 0.000 0.249 214 V C 2.360 178.556 176.094 0.171 0.000 1.055 214 V CA 1.564 63.950 62.300 0.145 0.000 1.065 214 V CB -0.607 31.339 31.823 0.205 0.000 0.681 214 V HN 0.545 8.735 8.190 -0.000 0.000 0.462 215 Q N -0.190 119.692 119.800 0.136 0.000 2.515 215 Q HA 0.112 4.452 4.340 -0.001 0.000 0.212 215 Q C 1.762 177.797 176.000 0.059 0.000 0.970 215 Q CA 0.692 56.543 55.803 0.081 0.000 0.941 215 Q CB 0.129 28.826 28.738 -0.067 0.000 0.998 215 Q HN 0.760 9.030 8.270 -0.000 0.000 0.518 216 G N 0.174 109.010 108.800 0.060 0.000 2.179 216 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 216 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 216 G C 0.261 175.174 174.900 0.021 0.000 0.977 216 G CA 0.335 45.462 45.100 0.046 0.000 0.641 216 G HN 0.345 8.635 8.290 -0.000 0.000 0.533 221 Q N 3.068 122.840 119.800 -0.047 0.000 2.290 221 Q HA 0.741 5.081 4.340 -0.001 0.000 0.269 221 Q C -3.128 172.852 176.000 -0.033 0.000 1.016 221 Q CA -1.766 54.014 55.803 -0.038 0.000 0.754 221 Q CB 1.180 29.887 28.738 -0.052 0.000 1.247 221 Q HN 0.641 8.911 8.270 -0.000 0.000 0.451 222 P HA 0.539 4.959 4.420 -0.000 0.000 0.284 222 P C 0.313 177.621 177.300 0.013 0.000 1.253 222 P CA 0.113 63.213 63.100 0.000 0.000 0.800 222 P CB 1.445 33.173 31.700 0.047 0.000 0.961 223 G N 1.284 110.069 108.800 -0.025 0.000 2.599 223 G HA2 0.183 4.142 3.960 -0.001 0.000 0.264 223 G HA3 0.183 4.142 3.960 -0.001 0.000 0.264 223 G C -0.738 174.344 174.900 0.303 0.000 1.200 223 G CA -0.272 44.879 45.100 0.085 0.000 0.896 223 G HN 0.562 8.852 8.290 -0.000 0.000 0.536 224 D N 0.780 121.338 120.400 0.263 0.000 2.412 224 D HA 0.284 4.924 4.640 -0.001 0.000 0.224 224 D C -1.499 174.895 176.300 0.157 0.000 1.093 224 D CA -2.027 52.100 54.000 0.212 0.000 0.850 224 D CB 2.028 42.913 40.800 0.143 0.000 1.046 224 D HN -0.052 8.318 8.370 -0.000 0.000 0.507 225 P HA -0.079 4.341 4.420 -0.000 0.000 0.217 225 P C 1.094 178.271 177.300 -0.204 0.000 1.150 225 P CA 1.009 63.841 63.100 -0.447 0.000 0.832 225 P CB 0.226 31.541 31.700 -0.642 0.000 0.787 226 A N 0.202 122.996 122.820 -0.042 0.000 1.933 226 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 226 A C 2.166 179.781 177.584 0.052 0.000 1.175 226 A CA 1.701 53.755 52.037 0.028 0.000 0.628 226 A CB -1.062 18.050 19.000 0.187 0.000 0.814 226 A HN 0.133 8.283 8.150 -0.000 0.000 0.444 227 K N -0.445 120.003 120.400 0.079 0.000 2.097 227 K HA 0.006 4.326 4.320 -0.001 0.000 0.205 227 K C 2.278 178.943 176.600 0.109 0.000 1.050 227 K CA 0.940 57.279 56.287 0.086 0.000 0.938 227 K CB -0.262 32.292 32.500 0.090 0.000 0.718 227 K HN 0.443 8.693 8.250 -0.000 0.000 0.442 228 A N 1.503 124.402 122.820 0.133 0.000 1.898 228 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 228 A C 2.350 180.119 177.584 0.308 0.000 1.181 228 A CA 1.754 53.919 52.037 0.212 0.000 0.620 228 A CB -0.578 18.490 19.000 0.113 0.000 0.819 228 A HN 0.318 8.468 8.150 -0.000 0.000 0.442 229 A N -0.059 122.912 122.820 0.251 0.000 1.902 229 A HA 0.173 4.493 4.320 -0.001 0.000 0.217 229 A C 2.502 180.124 177.584 0.064 0.000 1.181 229 A CA 2.009 54.114 52.037 0.113 0.000 0.623 229 A CB -1.022 17.946 19.000 -0.054 0.000 0.818 229 A HN 1.055 9.205 8.150 -0.000 0.000 0.443 230 A N -0.056 122.796 122.820 0.054 0.000 1.940 230 A HA 0.112 4.432 4.320 -0.001 0.000 0.219 230 A C 2.492 180.120 177.584 0.074 0.000 1.176 230 A CA 2.176 54.239 52.037 0.044 0.000 0.631 230 A CB -1.000 18.024 19.000 0.039 0.000 0.814 230 A HN 1.080 9.230 8.150 -0.000 0.000 0.446 231 A N -0.021 122.860 122.820 0.102 0.000 1.902 231 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 231 A C 2.118 179.775 177.584 0.121 0.000 1.181 231 A CA 1.485 53.588 52.037 0.109 0.000 0.623 231 A CB -0.597 18.478 19.000 0.124 0.000 0.818 231 A HN 0.514 8.664 8.150 -0.000 0.000 0.443 232 I N -0.837 119.824 120.570 0.151 0.000 2.127 232 I HA -0.314 3.856 4.170 -0.001 0.000 0.241 232 I C 2.823 179.028 176.117 0.147 0.000 1.075 232 I CA 1.651 63.043 61.300 0.153 0.000 1.334 232 I CB -0.441 37.660 38.000 0.168 0.000 1.040 232 I HN 0.336 8.546 8.210 -0.000 0.000 0.405 233 R N 0.417 121.007 120.500 0.150 0.000 2.083 233 R HA -0.169 4.170 4.340 -0.001 0.000 0.237 233 R C 2.393 178.756 176.300 0.106 0.000 1.137 233 R CA 1.255 57.447 56.100 0.153 0.000 0.951 233 R CB -0.512 29.840 30.300 0.087 0.000 0.851 233 R HN 0.398 8.668 8.270 -0.000 0.000 0.434 234 L N 0.601 121.873 121.223 0.082 0.000 1.989 234 L HA -0.207 4.133 4.340 -0.001 0.000 0.211 234 L C 2.415 179.323 176.870 0.064 0.000 1.071 234 L CA 1.812 56.691 54.840 0.065 0.000 0.749 234 L CB -0.605 41.489 42.059 0.058 0.000 0.890 234 L HN 0.245 8.475 8.230 -0.000 0.000 0.431 235 A N 0.069 122.931 122.820 0.071 0.000 1.883 235 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 235 A C 2.136 179.750 177.584 0.051 0.000 1.186 235 A CA 1.776 53.849 52.037 0.060 0.000 0.624 235 A CB -0.819 18.221 19.000 0.067 0.000 0.822 235 A HN 0.527 8.677 8.150 -0.000 0.000 0.444 236 L N -0.904 120.356 121.223 0.061 0.000 2.191 236 L HA -0.153 4.187 4.340 -0.001 0.000 0.212 236 L C 2.035 178.933 176.870 0.047 0.000 1.103 236 L CA 1.548 56.415 54.840 0.045 0.000 0.769 236 L CB -0.449 41.644 42.059 0.055 0.000 0.908 236 L HN 0.375 8.605 8.230 -0.000 0.000 0.438 237 D N -0.915 119.519 120.400 0.058 0.000 2.349 237 D HA -0.041 4.599 4.640 -0.001 0.000 0.215 237 D C 0.442 176.764 176.300 0.037 0.000 1.016 237 D CA 0.229 54.259 54.000 0.050 0.000 0.870 237 D CB 0.250 41.083 40.800 0.055 0.000 0.917 237 D HN 0.056 8.426 8.370 -0.000 0.000 0.524 238 T N 0.294 114.869 114.554 0.035 0.000 2.869 238 T HA 0.349 4.698 4.350 -0.001 0.000 0.295 238 T C 1.421 176.134 174.700 0.022 0.000 0.987 238 T CA 0.346 62.463 62.100 0.028 0.000 1.109 238 T CB 1.523 70.408 68.868 0.029 0.000 0.932 238 T HN 0.220 8.460 8.240 -0.000 0.000 0.518 239 E N 2.563 122.774 120.200 0.018 0.000 2.070 239 E HA -0.090 4.260 4.350 -0.001 0.000 0.197 239 E C 1.408 178.015 176.600 0.012 0.000 1.004 239 E CA 1.882 58.291 56.400 0.014 0.000 0.805 239 E CB -0.900 28.807 29.700 0.012 0.000 0.744 239 E HN 0.804 9.164 8.360 -0.000 0.000 0.451 240 K N 1.789 122.197 120.400 0.013 0.000 2.231 240 K HA 0.474 4.793 4.320 -0.001 0.000 0.255 240 K C 0.091 176.701 176.600 0.015 0.000 1.108 240 K CA 0.125 56.419 56.287 0.012 0.000 0.997 240 K CB -0.525 31.982 32.500 0.012 0.000 1.549 240 K HN 0.273 8.524 8.250 -0.000 0.000 0.419 241 T N 5.736 120.298 114.554 0.014 0.000 2.853 241 T HA 0.222 4.572 4.350 -0.001 0.000 0.298 241 T C -1.694 173.016 174.700 0.017 0.000 0.978 241 T CA -0.537 61.573 62.100 0.017 0.000 1.152 241 T CB 0.561 69.435 68.868 0.011 0.000 0.914 241 T HN 0.610 8.850 8.240 -0.000 0.000 0.539 242 P HA 0.117 4.537 4.420 -0.000 0.000 0.272 242 P C 0.881 178.193 177.300 0.021 0.000 1.223 242 P CA -0.619 62.496 63.100 0.024 0.000 0.784 242 P CB 0.735 32.454 31.700 0.033 0.000 0.923 243 L N 1.949 123.183 121.223 0.019 0.000 2.083 243 L HA -0.024 4.316 4.340 -0.001 0.000 0.209 243 L C 0.970 177.852 176.870 0.020 0.000 1.083 243 L CA 1.735 56.584 54.840 0.015 0.000 0.752 243 L CB -0.370 41.696 42.059 0.013 0.000 0.899 243 L HN 0.367 8.597 8.230 -0.000 0.000 0.433 244 R N -0.764 119.754 120.500 0.031 0.000 2.740 244 R HA 0.592 4.932 4.340 -0.001 0.000 0.282 244 R C -1.594 174.739 176.300 0.055 0.000 0.969 244 R CA -0.877 55.248 56.100 0.042 0.000 0.918 244 R CB 2.072 32.399 30.300 0.046 0.000 1.175 244 R HN 0.016 8.286 8.270 -0.000 0.000 0.464 245 L N 1.931 123.196 121.223 0.070 0.000 2.427 245 L HA 0.532 4.872 4.340 -0.001 0.000 0.264 245 L C -0.814 176.117 176.870 0.101 0.000 0.989 245 L CA -0.206 54.685 54.840 0.084 0.000 0.865 245 L CB 1.553 43.670 42.059 0.096 0.000 1.209 245 L HN 0.815 9.045 8.230 -0.000 0.000 0.430 246 A N 5.547 128.424 122.820 0.095 0.000 2.407 246 A HA 0.676 4.996 4.320 -0.001 0.000 0.248 246 A C -0.761 176.881 177.584 0.096 0.000 1.082 246 A CA -0.140 51.960 52.037 0.106 0.000 0.785 246 A CB 0.214 19.275 19.000 0.102 0.000 1.020 246 A HN 0.729 8.879 8.150 -0.000 0.000 0.489 247 L N 1.939 123.216 121.223 0.089 0.000 2.404 247 L HA 0.671 5.011 4.340 -0.001 0.000 0.272 247 L C 0.384 177.256 176.870 0.004 0.000 0.980 247 L CA 0.034 54.908 54.840 0.058 0.000 0.836 247 L CB 1.695 43.798 42.059 0.074 0.000 1.238 247 L HN 1.332 9.562 8.230 -0.000 0.000 0.408 248 G N 1.480 110.283 108.800 0.004 0.000 2.650 248 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.686 248 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.686 248 G C 0.529 175.415 174.900 -0.024 0.000 1.205 248 G CA -0.371 44.712 45.100 -0.028 0.000 0.781 248 G HN 0.864 9.154 8.290 -0.000 0.000 0.648 249 G N -0.257 108.516 108.800 -0.044 0.000 2.422 249 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.218 249 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.218 249 G C 1.246 176.074 174.900 -0.120 0.000 1.146 249 G CA 1.949 47.008 45.100 -0.067 0.000 0.769 249 G HN 0.733 9.023 8.290 -0.000 0.000 0.547 250 D N 0.937 121.251 120.400 -0.143 0.000 2.097 250 D HA -0.013 4.626 4.640 -0.001 0.000 0.195 250 D C 2.843 179.000 176.300 -0.239 0.000 0.989 250 D CA 1.253 55.095 54.000 -0.264 0.000 0.827 250 D CB -0.480 40.211 40.800 -0.182 0.000 0.966 250 D HN 0.282 8.652 8.370 -0.000 0.000 0.456 251 A N 0.524 123.327 122.820 -0.029 0.000 1.877 251 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 251 A C 2.533 180.172 177.584 0.093 0.000 1.186 251 A CA 1.448 53.563 52.037 0.131 0.000 0.620 251 A CB -0.842 18.307 19.000 0.249 0.000 0.822 251 A HN 0.145 8.295 8.150 -0.000 0.000 0.443 252 V N 0.781 120.713 119.914 0.031 0.000 2.332 252 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 252 V C 2.210 178.299 176.094 -0.009 0.000 1.055 252 V CA 2.360 64.675 62.300 0.025 0.000 1.038 252 V CB -0.922 30.905 31.823 0.006 0.000 0.651 252 V HN 0.503 8.693 8.190 -0.000 0.000 0.450 253 D N -0.257 120.080 120.400 -0.105 0.000 2.104 253 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 253 D C 2.007 178.224 176.300 -0.138 0.000 0.994 253 D CA 1.383 55.277 54.000 -0.176 0.000 0.830 253 D CB -0.380 40.221 40.800 -0.332 0.000 0.959 253 D HN 0.400 8.770 8.370 -0.000 0.000 0.452 254 F N 0.743 120.607 119.950 -0.142 0.000 2.095 254 F HA -0.085 4.442 4.527 -0.001 0.000 0.298 254 F C 2.476 178.300 175.800 0.040 0.000 1.104 254 F CA 0.695 58.630 58.000 -0.109 0.000 1.232 254 F CB -0.768 38.038 39.000 -0.323 0.000 0.987 254 F HN -0.060 8.240 8.300 -0.000 0.000 0.475 255 L N -0.606 120.772 121.223 0.259 0.000 2.027 255 L HA -0.208 4.132 4.340 -0.001 0.000 0.206 255 L C 2.629 179.611 176.870 0.187 0.000 1.074 255 L CA 1.875 56.851 54.840 0.227 0.000 0.745 255 L CB -1.230 40.942 42.059 0.188 0.000 0.898 255 L HN 0.281 8.511 8.230 -0.000 0.000 0.433 256 T N -3.070 111.557 114.554 0.121 0.000 2.746 256 T HA -0.110 4.239 4.350 -0.001 0.000 0.267 256 T C 1.971 176.725 174.700 0.091 0.000 1.039 256 T CA 1.005 63.157 62.100 0.086 0.000 1.142 256 T CB -1.056 67.837 68.868 0.042 0.000 0.866 256 T HN 0.383 8.623 8.240 -0.000 0.000 0.444 257 G N 0.538 109.397 108.800 0.099 0.000 2.442 257 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.219 257 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.219 257 G C 1.575 176.566 174.900 0.152 0.000 1.141 257 G CA 0.954 46.115 45.100 0.101 0.000 0.763 257 G HN 0.689 8.979 8.290 -0.000 0.000 0.554 258 H N 0.351 119.491 119.070 0.117 0.000 2.363 258 H HA 0.126 4.682 4.556 -0.001 0.000 0.301 258 H C 2.660 178.040 175.328 0.087 0.000 1.074 258 H CA 0.912 57.031 56.048 0.119 0.000 1.354 258 H CB -0.020 29.832 29.762 0.150 0.000 1.397 258 H HN 0.268 8.548 8.280 -0.000 0.000 0.516 259 L N 0.618 121.910 121.223 0.116 0.000 2.042 259 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 259 L C 2.555 179.420 176.870 -0.009 0.000 1.076 259 L CA 1.583 56.448 54.840 0.042 0.000 0.749 259 L CB -0.496 41.609 42.059 0.077 0.000 0.893 259 L HN 0.311 8.541 8.230 -0.000 0.000 0.432 260 D N 0.074 120.480 120.400 0.010 0.000 2.087 260 D HA -0.206 4.433 4.640 -0.001 0.000 0.192 260 D C 2.301 178.590 176.300 -0.020 0.000 0.993 260 D CA 1.973 55.975 54.000 0.003 0.000 0.828 260 D CB -0.042 40.768 40.800 0.017 0.000 0.968 260 D HN 0.299 8.669 8.370 -0.000 0.000 0.448 261 S N -0.580 115.097 115.700 -0.039 0.000 2.382 261 S HA -0.118 4.352 4.470 -0.001 0.000 0.228 261 S C 2.321 176.870 174.600 -0.085 0.000 1.027 261 S CA 1.402 59.573 58.200 -0.048 0.000 0.991 261 S CB -0.778 62.404 63.200 -0.031 0.000 0.823 261 S HN 0.159 8.469 8.310 -0.000 0.000 0.469 262 V N 2.427 122.233 119.914 -0.180 0.000 2.307 262 V HA -0.117 4.003 4.120 -0.001 0.000 0.245 262 V C 2.945 179.008 176.094 -0.051 0.000 1.045 262 V CA 2.208 64.415 62.300 -0.156 0.000 1.024 262 V CB -0.900 30.783 31.823 -0.233 0.000 0.651 262 V HN 0.532 8.722 8.190 -0.000 0.000 0.449 263 R N 1.064 121.544 120.500 -0.034 0.000 2.081 263 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 263 R C 2.162 178.471 176.300 0.016 0.000 1.131 263 R CA 1.999 58.099 56.100 -0.000 0.000 0.960 263 R CB -0.930 29.372 30.300 0.005 0.000 0.856 263 R HN 0.428 8.698 8.270 -0.000 0.000 0.436 264 A N 0.437 123.264 122.820 0.012 0.000 1.883 264 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 264 A C 2.168 179.788 177.584 0.060 0.000 1.186 264 A CA 1.848 53.902 52.037 0.028 0.000 0.624 264 A CB -0.732 18.282 19.000 0.023 0.000 0.822 264 A HN 0.620 8.770 8.150 -0.000 0.000 0.444 265 E N -0.905 119.336 120.200 0.068 0.000 2.110 265 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 265 E C 1.882 178.588 176.600 0.176 0.000 0.988 265 E CA 1.066 57.548 56.400 0.137 0.000 0.804 265 E CB -0.161 29.588 29.700 0.082 0.000 0.745 265 E HN 0.432 8.792 8.360 -0.000 0.000 0.458 266 L N 0.700 121.983 121.223 0.099 0.000 2.012 266 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 266 L C 2.258 179.193 176.870 0.108 0.000 1.073 266 L CA 2.026 56.925 54.840 0.099 0.000 0.748 266 L CB -0.834 41.257 42.059 0.053 0.000 0.891 266 L HN 0.122 8.352 8.230 -0.000 0.000 0.431 267 T N -0.943 113.655 114.554 0.074 0.000 2.708 267 T HA -0.231 4.119 4.350 -0.001 0.000 0.266 267 T C 1.683 176.406 174.700 0.039 0.000 1.037 267 T CA 1.512 63.640 62.100 0.047 0.000 1.146 267 T CB -0.212 68.671 68.868 0.026 0.000 0.865 267 T HN 0.493 8.733 8.240 -0.000 0.000 0.435 268 E N 0.063 120.295 120.200 0.053 0.000 2.097 268 E HA -0.172 4.177 4.350 -0.001 0.000 0.196 268 E C 1.219 177.737 176.600 -0.137 0.000 1.000 268 E CA 1.392 57.775 56.400 -0.029 0.000 0.804 268 E CB -0.307 29.415 29.700 0.035 0.000 0.740 268 E HN 0.668 9.028 8.360 -0.000 0.000 0.454 269 W N 0.790 122.089 121.300 -0.002 0.000 3.316 269 W HA 0.282 4.942 4.660 -0.001 0.000 0.327 269 W C 1.696 178.215 176.519 -0.000 0.000 1.232 269 W CA -0.073 57.272 57.345 -0.001 0.000 1.805 269 W CB 0.218 29.678 29.460 -0.000 0.000 1.090 269 W HN 0.263 8.443 8.180 -0.000 0.000 0.654 270 E N 1.421 121.697 120.200 0.125 0.000 2.077 270 E HA -0.251 4.099 4.350 -0.001 0.000 0.193 270 E C 2.497 179.133 176.600 0.061 0.000 0.989 270 E CA 2.332 58.785 56.400 0.088 0.000 0.800 270 E CB 0.155 29.885 29.700 0.051 0.000 0.746 270 E HN 0.189 8.549 8.360 -0.000 0.000 0.452 271 K N 0.483 120.895 120.400 0.021 0.000 2.063 271 K HA -0.113 4.207 4.320 -0.001 0.000 0.208 271 K C 2.137 178.760 176.600 0.038 0.000 1.048 271 K CA 1.612 57.905 56.287 0.009 0.000 0.928 271 K CB -1.299 31.183 32.500 -0.028 0.000 0.713 271 K HN 0.106 8.356 8.250 -0.000 0.000 0.442 272 V N 1.644 121.599 119.914 0.067 0.000 2.255 272 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 272 V C 2.726 178.902 176.094 0.136 0.000 1.051 272 V CA 2.450 64.832 62.300 0.138 0.000 1.018 272 V CB -0.569 31.438 31.823 0.306 0.000 0.641 272 V HN 0.647 8.837 8.190 -0.000 0.000 0.445 273 S N -0.297 115.494 115.700 0.151 0.000 2.365 273 S HA -0.240 4.230 4.470 -0.001 0.000 0.225 273 S C 2.032 176.672 174.600 0.066 0.000 1.039 273 S CA 1.716 59.978 58.200 0.104 0.000 1.033 273 S CB -0.377 62.883 63.200 0.100 0.000 0.887 273 S HN 0.549 8.859 8.310 -0.000 0.000 0.447 274 R N 0.531 121.065 120.500 0.056 0.000 2.189 274 R HA 0.036 4.375 4.340 -0.001 0.000 0.218 274 R C 2.395 178.715 176.300 0.033 0.000 1.074 274 R CA 0.802 56.925 56.100 0.038 0.000 0.991 274 R CB -0.490 29.828 30.300 0.030 0.000 0.883 274 R HN 0.455 8.725 8.270 -0.000 0.000 0.457 275 G N 0.646 109.470 108.800 0.039 0.000 2.708 275 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.210 275 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.210 275 G C 1.313 176.232 174.900 0.032 0.000 1.141 275 G CA 1.032 46.152 45.100 0.032 0.000 0.788 275 G HN 0.399 8.689 8.290 -0.000 0.000 0.531 276 T N -2.703 111.871 114.554 0.034 0.000 3.081 276 T HA 0.139 4.489 4.350 -0.001 0.000 0.250 276 T C 0.434 175.147 174.700 0.021 0.000 1.100 276 T CA -0.076 62.041 62.100 0.029 0.000 1.038 276 T CB 0.324 69.210 68.868 0.031 0.000 0.962 276 T HN 0.020 8.260 8.240 -0.000 0.000 0.516 277 D N 0.000 120.412 120.400 0.020 0.000 6.856 277 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 277 D CA 0.000 54.009 54.000 0.015 0.000 0.868 277 D CB 0.000 40.809 40.800 0.015 0.000 0.688 277 D HN 0.000 8.370 8.370 -0.000 0.000 0.683