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 1dy8_1_B DATA FIRST_RESID 1 DATA SEQUENCE APITAYSQQT RGLLGCIITS LTGRDKNQVD GEVQVLSTAT QSFLATCVNG DATA SEQUENCE VCWTVYHGAG SKTLAGPKGP ITQMYTNVDQ DLVGWPAPPG ARSMTPCTCG DATA SEQUENCE SSDLYLVTRH ADVIPVRRRG DSRGSLLSPR PVSYLKGSSG GPLLCPSGHV DATA SEQUENCE VGIFRAAVCT RGVAKAVDFI PVESM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.504 177.584 -0.133 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 1 A CB 0.000 18.947 19.000 -0.089 0.000 0.831 2 P HA 0.330 4.750 4.420 -0.000 0.000 0.264 2 P C -0.129 177.042 177.300 -0.215 0.000 1.259 2 P CA 0.239 63.245 63.100 -0.156 0.000 0.841 2 P CB 0.111 31.767 31.700 -0.073 0.000 1.232 3 I N 0.358 120.691 120.570 -0.395 0.000 2.428 3 I HA 0.235 4.405 4.170 -0.001 0.000 0.289 3 I C 0.860 176.852 176.117 -0.208 0.000 1.019 3 I CA -0.169 60.957 61.300 -0.289 0.000 1.351 3 I CB 1.172 38.948 38.000 -0.373 0.000 1.412 3 I HN -0.059 8.151 8.210 -0.000 0.000 0.513 4 T N 2.320 116.810 114.554 -0.106 0.000 2.888 4 T HA 0.924 5.273 4.350 -0.001 0.000 0.288 4 T C -0.699 173.982 174.700 -0.031 0.000 1.063 4 T CA -0.914 61.156 62.100 -0.052 0.000 1.010 4 T CB 2.101 70.968 68.868 -0.003 0.000 1.214 4 T HN 0.780 9.020 8.240 -0.000 0.000 0.533 5 A N 0.903 123.728 122.820 0.007 0.000 2.549 5 A HA 0.814 5.133 4.320 -0.001 0.000 0.297 5 A C -1.557 176.066 177.584 0.064 0.000 1.061 5 A CA -1.099 50.918 52.037 -0.033 0.000 0.690 5 A CB 1.123 20.098 19.000 -0.041 0.000 1.287 5 A HN 1.376 9.526 8.150 -0.000 0.000 0.402 6 Y N -0.365 119.939 120.300 0.007 0.000 2.609 6 Y HA 0.848 5.398 4.550 -0.001 0.000 0.342 6 Y C 0.061 175.969 175.900 0.013 0.000 1.058 6 Y CA -0.710 57.398 58.100 0.014 0.000 1.055 6 Y CB 1.011 39.477 38.460 0.010 0.000 1.292 6 Y HN 0.993 9.273 8.280 -0.000 0.000 0.476 7 S N 0.601 116.433 115.700 0.219 0.000 2.718 7 S HA 0.730 5.200 4.470 -0.001 0.000 0.300 7 S C -1.101 173.601 174.600 0.170 0.000 1.117 7 S CA -0.846 57.417 58.200 0.105 0.000 1.002 7 S CB 1.935 65.176 63.200 0.069 0.000 1.092 7 S HN 0.767 9.077 8.310 -0.000 0.000 0.542 8 Q N 0.790 120.645 119.800 0.092 0.000 2.269 8 Q HA 0.294 4.634 4.340 -0.001 0.000 0.263 8 Q C -1.275 174.747 176.000 0.036 0.000 0.983 8 Q CA -0.275 55.579 55.803 0.086 0.000 0.777 8 Q CB 2.297 31.095 28.738 0.100 0.000 1.273 8 Q HN 0.813 9.083 8.270 -0.000 0.000 0.440 9 Q N 0.802 120.619 119.800 0.029 0.000 2.392 9 Q HA 0.110 4.450 4.340 -0.001 0.000 0.262 9 Q C 0.334 176.334 176.000 -0.001 0.000 1.003 9 Q CA 0.860 56.667 55.803 0.008 0.000 0.888 9 Q CB 0.751 29.495 28.738 0.010 0.000 1.260 9 Q HN 0.791 9.061 8.270 -0.000 0.000 0.435 10 T N 0.607 115.151 114.554 -0.016 0.000 3.004 10 T HA 0.396 4.745 4.350 -0.001 0.000 0.266 10 T C 0.380 175.066 174.700 -0.025 0.000 0.986 10 T CA -0.364 61.724 62.100 -0.020 0.000 0.902 10 T CB 0.506 69.357 68.868 -0.029 0.000 1.118 10 T HN 0.547 8.787 8.240 -0.000 0.000 0.522 11 R N -0.974 119.510 120.500 -0.027 0.000 2.716 11 R HA 0.633 4.972 4.340 -0.001 0.000 0.271 11 R C -0.766 175.519 176.300 -0.024 0.000 1.028 11 R CA -0.610 55.472 56.100 -0.029 0.000 0.883 11 R CB 1.911 32.186 30.300 -0.043 0.000 1.250 11 R HN 0.281 8.551 8.270 -0.000 0.000 0.465 12 G N 0.119 108.906 108.800 -0.021 0.000 3.222 12 G HA2 0.336 4.296 3.960 -0.001 0.000 0.263 12 G HA3 0.336 4.296 3.960 -0.001 0.000 0.263 12 G C 0.299 175.188 174.900 -0.019 0.000 1.312 12 G CA -0.664 44.425 45.100 -0.017 0.000 0.934 12 G HN 0.437 8.727 8.290 -0.000 0.000 0.577 13 L N -0.523 120.692 121.223 -0.013 0.000 1.970 13 L HA -0.028 4.312 4.340 -0.001 0.000 0.212 13 L C 2.911 179.773 176.870 -0.014 0.000 1.071 13 L CA 1.204 56.037 54.840 -0.012 0.000 0.751 13 L CB -0.249 41.806 42.059 -0.006 0.000 0.889 13 L HN 0.417 8.647 8.230 -0.000 0.000 0.432 14 L N -0.769 120.446 121.223 -0.012 0.000 2.017 14 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 14 L C 2.479 179.338 176.870 -0.017 0.000 1.073 14 L CA 1.665 56.498 54.840 -0.013 0.000 0.745 14 L CB -0.905 41.148 42.059 -0.010 0.000 0.894 14 L HN 0.399 8.629 8.230 -0.000 0.000 0.432 15 G N -1.200 107.588 108.800 -0.020 0.000 2.422 15 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.218 15 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.218 15 G C 1.802 176.682 174.900 -0.032 0.000 1.146 15 G CA 0.831 45.916 45.100 -0.026 0.000 0.769 15 G HN 0.524 8.814 8.290 -0.000 0.000 0.547 16 C N 0.441 119.721 119.300 -0.034 0.000 2.496 16 C HA 0.060 4.520 4.460 -0.001 0.000 0.281 16 C C 2.870 177.839 174.990 -0.036 0.000 1.250 16 C CA 0.927 59.919 59.018 -0.043 0.000 1.717 16 C CB -1.153 26.560 27.740 -0.045 0.000 2.082 16 C HN 0.473 8.703 8.230 -0.000 0.000 0.472 17 I N 1.475 122.030 120.570 -0.025 0.000 2.103 17 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 17 I C 2.364 178.469 176.117 -0.020 0.000 1.036 17 I CA 1.899 63.187 61.300 -0.019 0.000 1.300 17 I CB -0.646 37.346 38.000 -0.012 0.000 1.010 17 I HN 0.326 8.536 8.210 -0.000 0.000 0.406 18 I N 0.544 121.101 120.570 -0.021 0.000 2.454 18 I HA -0.210 3.959 4.170 -0.001 0.000 0.254 18 I C 2.523 178.624 176.117 -0.027 0.000 1.156 18 I CA 1.771 63.058 61.300 -0.021 0.000 1.433 18 I CB -1.667 36.321 38.000 -0.019 0.000 1.082 18 I HN 0.313 8.523 8.210 -0.000 0.000 0.432 19 T N 0.203 114.735 114.554 -0.035 0.000 2.978 19 T HA -0.068 4.281 4.350 -0.001 0.000 0.262 19 T C 2.038 176.709 174.700 -0.048 0.000 1.063 19 T CA 1.294 63.367 62.100 -0.045 0.000 1.140 19 T CB -0.191 68.642 68.868 -0.058 0.000 0.886 19 T HN 0.502 8.742 8.240 -0.000 0.000 0.470 20 S N 2.138 117.812 115.700 -0.043 0.000 2.382 20 S HA -0.005 4.465 4.470 -0.001 0.000 0.228 20 S C 2.029 176.615 174.600 -0.024 0.000 1.027 20 S CA 0.763 58.941 58.200 -0.036 0.000 0.991 20 S CB -0.711 62.474 63.200 -0.024 0.000 0.823 20 S HN 0.393 8.703 8.310 -0.000 0.000 0.469 21 L N 1.513 122.724 121.223 -0.020 0.000 2.162 21 L HA 0.018 4.358 4.340 -0.001 0.000 0.205 21 L C 3.073 179.934 176.870 -0.015 0.000 1.086 21 L CA 1.719 56.551 54.840 -0.013 0.000 0.778 21 L CB -1.240 40.813 42.059 -0.010 0.000 0.928 21 L HN 0.654 8.884 8.230 -0.000 0.000 0.446 22 T N -4.123 110.419 114.554 -0.020 0.000 3.051 22 T HA 0.130 4.480 4.350 -0.001 0.000 0.255 22 T C 1.529 176.214 174.700 -0.026 0.000 1.085 22 T CA 0.706 62.793 62.100 -0.021 0.000 1.109 22 T CB 0.496 69.350 68.868 -0.023 0.000 0.921 22 T HN 0.412 8.652 8.240 -0.000 0.000 0.488 23 G N 1.679 110.458 108.800 -0.036 0.000 2.155 23 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.257 23 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.257 23 G C 0.106 174.972 174.900 -0.056 0.000 0.983 23 G CA 0.264 45.335 45.100 -0.047 0.000 0.676 23 G HN 0.843 9.133 8.290 -0.000 0.000 0.528 24 R N 0.518 120.988 120.500 -0.049 0.000 2.310 24 R HA 0.501 4.840 4.340 -0.001 0.000 0.324 24 R C -1.835 174.433 176.300 -0.053 0.000 0.955 24 R CA -0.613 55.458 56.100 -0.048 0.000 0.830 24 R CB 0.922 31.202 30.300 -0.035 0.000 1.154 24 R HN 0.089 8.359 8.270 -0.000 0.000 0.458 25 D N 3.789 124.151 120.400 -0.063 0.000 2.462 25 D HA 0.195 4.834 4.640 -0.001 0.000 0.245 25 D C -0.244 176.023 176.300 -0.056 0.000 1.122 25 D CA -0.452 53.508 54.000 -0.066 0.000 0.864 25 D CB 1.477 42.223 40.800 -0.090 0.000 1.098 25 D HN 0.518 8.888 8.370 -0.000 0.000 0.541 26 K N 1.965 122.338 120.400 -0.045 0.000 2.374 26 K HA 0.191 4.511 4.320 -0.001 0.000 0.196 26 K C 0.540 177.118 176.600 -0.036 0.000 1.023 26 K CA -0.359 55.905 56.287 -0.037 0.000 1.103 26 K CB 0.228 32.711 32.500 -0.029 0.000 0.848 26 K HN 0.359 8.609 8.250 -0.000 0.000 0.528 27 N N 2.477 121.152 118.700 -0.041 0.000 2.329 27 N HA -0.101 4.639 4.740 -0.001 0.000 0.237 27 N C -0.212 175.276 175.510 -0.036 0.000 1.258 27 N CA 0.246 53.273 53.050 -0.037 0.000 0.866 27 N CB 0.442 38.903 38.487 -0.043 0.000 1.102 27 N HN 0.147 8.527 8.380 -0.000 0.000 0.440 28 Q N 1.437 121.220 119.800 -0.029 0.000 2.293 28 Q HA 0.268 4.608 4.340 -0.001 0.000 0.251 28 Q C -1.127 174.855 176.000 -0.030 0.000 0.930 28 Q CA -0.537 55.250 55.803 -0.026 0.000 0.893 28 Q CB 0.944 29.672 28.738 -0.017 0.000 1.215 28 Q HN 0.273 8.543 8.270 -0.000 0.000 0.425 29 V N 3.580 123.474 119.914 -0.033 0.000 2.612 29 V HA 0.443 4.562 4.120 -0.001 0.000 0.301 29 V C -0.366 175.712 176.094 -0.027 0.000 1.046 29 V CA -0.391 61.887 62.300 -0.037 0.000 0.946 29 V CB 1.772 33.568 31.823 -0.046 0.000 1.003 29 V HN 0.907 9.097 8.190 -0.000 0.000 0.459 30 D N 0.818 121.202 120.400 -0.028 0.000 2.639 30 D HA 0.647 5.287 4.640 -0.001 0.000 0.271 30 D C -0.269 176.011 176.300 -0.033 0.000 1.254 30 D CA 0.951 54.937 54.000 -0.024 0.000 0.810 30 D CB 2.114 42.906 40.800 -0.013 0.000 1.351 30 D HN 1.069 9.439 8.370 -0.000 0.000 0.427 31 G N 0.801 109.579 108.800 -0.037 0.000 2.707 31 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.686 31 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.686 31 G C 0.177 175.055 174.900 -0.036 0.000 1.315 31 G CA 0.228 45.294 45.100 -0.056 0.000 0.832 31 G HN 0.456 8.746 8.290 -0.000 0.000 0.573 32 E N -1.428 118.749 120.200 -0.039 0.000 2.190 32 E HA 0.317 4.666 4.350 -0.001 0.000 0.191 32 E C 1.084 177.690 176.600 0.010 0.000 0.978 32 E CA 1.079 57.474 56.400 -0.009 0.000 0.839 32 E CB 0.507 30.201 29.700 -0.010 0.000 0.787 32 E HN 0.536 8.896 8.360 -0.000 0.000 0.473 33 V N 1.802 121.712 119.914 -0.008 0.000 2.540 33 V HA 0.293 4.412 4.120 -0.001 0.000 0.302 33 V C -0.580 175.508 176.094 -0.011 0.000 1.035 33 V CA -0.969 61.337 62.300 0.010 0.000 0.873 33 V CB 1.795 33.620 31.823 0.004 0.000 0.992 33 V HN -0.004 8.186 8.190 -0.000 0.000 0.428 34 Q N 2.660 122.460 119.800 -0.001 0.000 2.282 34 Q HA 0.560 4.899 4.340 -0.001 0.000 0.260 34 Q C -0.700 175.263 176.000 -0.061 0.000 0.964 34 Q CA -0.589 55.191 55.803 -0.039 0.000 0.880 34 Q CB 2.359 31.067 28.738 -0.050 0.000 1.286 34 Q HN 0.546 8.816 8.270 -0.000 0.000 0.445 35 V N 4.314 124.176 119.914 -0.087 0.000 2.406 35 V HA 0.392 4.511 4.120 -0.001 0.000 0.272 35 V C 0.219 176.199 176.094 -0.189 0.000 1.043 35 V CA -0.335 61.892 62.300 -0.120 0.000 0.915 35 V CB 0.433 32.199 31.823 -0.094 0.000 0.988 35 V HN 0.524 8.714 8.190 -0.000 0.000 0.466 36 L N 3.651 124.689 121.223 -0.309 0.000 2.301 36 L HA 0.863 5.202 4.340 -0.001 0.000 0.264 36 L C -0.095 176.463 176.870 -0.521 0.000 1.016 36 L CA -0.426 54.149 54.840 -0.443 0.000 0.821 36 L CB 2.166 43.850 42.059 -0.625 0.000 1.346 36 L HN 0.621 8.851 8.230 -0.000 0.000 0.429 37 S N -0.610 114.842 115.700 -0.412 0.000 2.533 37 S HA 0.705 5.175 4.470 -0.001 0.000 0.271 37 S C -0.518 173.993 174.600 -0.148 0.000 1.143 37 S CA -0.121 57.921 58.200 -0.263 0.000 0.891 37 S CB 1.727 64.834 63.200 -0.155 0.000 1.105 37 S HN 0.870 9.180 8.310 -0.000 0.000 0.468 38 T N 1.247 115.783 114.554 -0.030 0.000 2.675 38 T HA 0.797 5.147 4.350 -0.001 0.000 0.241 38 T C 1.462 176.179 174.700 0.028 0.000 0.949 38 T CA 0.186 62.303 62.100 0.030 0.000 1.077 38 T CB 0.173 69.112 68.868 0.118 0.000 1.797 38 T HN 0.804 9.044 8.240 -0.000 0.000 0.551 39 A N 0.736 123.580 122.820 0.040 0.000 1.850 39 A HA 0.160 4.480 4.320 -0.001 0.000 0.212 39 A C 2.422 180.028 177.584 0.036 0.000 1.208 39 A CA 1.891 53.945 52.037 0.028 0.000 0.609 39 A CB -1.415 17.600 19.000 0.025 0.000 0.860 39 A HN 1.024 9.174 8.150 -0.000 0.000 0.448 40 T N -2.822 111.761 114.554 0.049 0.000 3.060 40 T HA 0.287 4.636 4.350 -0.001 0.000 0.249 40 T C 0.434 175.179 174.700 0.075 0.000 1.079 40 T CA -0.037 62.094 62.100 0.052 0.000 1.013 40 T CB 0.028 68.921 68.868 0.043 0.000 0.975 40 T HN 0.432 8.672 8.240 -0.000 0.000 0.518 41 Q N 0.352 120.219 119.800 0.111 0.000 2.345 41 Q HA 0.613 4.952 4.340 -0.001 0.000 0.275 41 Q C -1.620 174.508 176.000 0.213 0.000 1.063 41 Q CA -0.517 55.395 55.803 0.182 0.000 0.819 41 Q CB 2.641 31.524 28.738 0.242 0.000 1.356 41 Q HN 0.118 8.388 8.270 -0.000 0.000 0.418 42 S N 1.753 117.581 115.700 0.213 0.000 2.513 42 S HA 0.913 5.383 4.470 -0.001 0.000 0.299 42 S C -1.317 173.439 174.600 0.261 0.000 1.087 42 S CA -0.388 57.875 58.200 0.104 0.000 1.012 42 S CB 0.635 63.848 63.200 0.022 0.000 1.044 42 S HN 0.500 8.810 8.310 -0.000 0.000 0.485 43 F N 0.920 120.873 119.950 0.005 0.000 3.250 43 F HA 0.689 5.216 4.527 -0.001 0.000 0.326 43 F C -2.048 173.766 175.800 0.022 0.000 1.154 43 F CA -1.377 56.631 58.000 0.013 0.000 0.870 43 F CB 0.517 39.521 39.000 0.007 0.000 1.476 43 F HN 0.377 8.677 8.300 -0.000 0.000 0.491 44 L N 1.128 122.503 121.223 0.254 0.000 2.279 44 L HA 0.995 5.335 4.340 -0.001 0.000 0.262 44 L C -0.663 176.366 176.870 0.265 0.000 1.019 44 L CA -1.335 53.589 54.840 0.139 0.000 0.823 44 L CB 1.847 43.975 42.059 0.114 0.000 1.358 44 L HN 1.000 9.230 8.230 -0.000 0.000 0.432 45 A N -0.068 122.866 122.820 0.191 0.000 2.449 45 A HA 0.783 5.102 4.320 -0.001 0.000 0.302 45 A C -0.880 176.819 177.584 0.191 0.000 1.048 45 A CA -0.423 51.768 52.037 0.256 0.000 0.708 45 A CB 1.751 20.942 19.000 0.318 0.000 1.274 45 A HN 0.584 8.734 8.150 -0.000 0.000 0.410 46 T N 1.331 116.027 114.554 0.238 0.000 2.797 46 T HA 0.417 4.767 4.350 -0.001 0.000 0.279 46 T C -0.358 174.488 174.700 0.244 0.000 0.991 46 T CA -0.204 62.018 62.100 0.203 0.000 0.979 46 T CB 0.532 69.518 68.868 0.196 0.000 0.943 46 T HN 0.674 8.914 8.240 -0.000 0.000 0.444 47 C N 4.242 123.636 119.300 0.157 0.000 2.322 47 C HA 0.575 5.034 4.460 -0.001 0.000 0.343 47 C C 0.381 175.464 174.990 0.156 0.000 1.190 47 C CA -0.964 58.132 59.018 0.131 0.000 1.704 47 C CB -1.601 26.176 27.740 0.061 0.000 2.293 47 C HN 0.656 8.886 8.230 -0.000 0.000 0.523 48 V N 4.535 124.602 119.914 0.255 0.000 2.483 48 V HA 0.443 4.563 4.120 -0.001 0.000 0.297 48 V C -0.102 176.130 176.094 0.231 0.000 1.027 48 V CA -0.476 61.965 62.300 0.235 0.000 0.855 48 V CB 1.372 33.361 31.823 0.278 0.000 0.995 48 V HN 0.867 9.057 8.190 -0.000 0.000 0.424 49 N N 3.820 122.588 118.700 0.115 0.000 2.740 49 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 49 N C 1.153 176.700 175.510 0.062 0.000 1.062 49 N CA 1.787 54.888 53.050 0.086 0.000 0.704 49 N CB -1.128 37.426 38.487 0.113 0.000 0.968 49 N HN 1.603 9.983 8.380 -0.000 0.000 0.547 50 G N -3.344 105.474 108.800 0.030 0.000 2.199 50 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.254 50 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.254 50 G C -0.030 174.834 174.900 -0.060 0.000 0.982 50 G CA 0.316 45.411 45.100 -0.008 0.000 0.632 50 G HN 0.550 8.840 8.290 -0.000 0.000 0.529 51 V N 0.882 120.726 119.914 -0.118 0.000 2.513 51 V HA 0.524 4.643 4.120 -0.001 0.000 0.299 51 V C 0.583 176.451 176.094 -0.376 0.000 1.035 51 V CA -0.694 61.385 62.300 -0.370 0.000 0.889 51 V CB 1.824 33.187 31.823 -0.767 0.000 0.988 51 V HN 0.379 8.569 8.190 -0.000 0.000 0.440 52 C N 4.718 123.881 119.300 -0.228 0.000 2.373 52 C HA 0.418 4.878 4.460 -0.001 0.000 0.354 52 C C -0.177 174.779 174.990 -0.057 0.000 1.249 52 C CA -0.892 58.119 59.018 -0.012 0.000 1.784 52 C CB -1.018 26.841 27.740 0.198 0.000 2.408 52 C HN 0.842 9.072 8.230 -0.000 0.000 0.542 53 W N 2.223 123.611 121.300 0.147 0.000 2.512 53 W HA 0.640 5.300 4.660 -0.000 0.000 0.335 53 W C 0.604 177.198 176.519 0.126 0.000 1.088 53 W CA -0.100 57.291 57.345 0.078 0.000 1.236 53 W CB 1.377 30.858 29.460 0.033 0.000 1.307 53 W HN 0.601 8.781 8.180 -0.000 0.000 0.567 54 T N -0.042 114.703 114.554 0.318 0.000 2.648 54 T HA 0.488 4.838 4.350 -0.001 0.000 0.304 54 T C -1.247 173.492 174.700 0.065 0.000 1.312 54 T CA -0.696 61.547 62.100 0.239 0.000 1.023 54 T CB 0.344 69.453 68.868 0.401 0.000 1.612 54 T HN 0.366 8.606 8.240 -0.000 0.000 0.487 55 V N 1.861 121.704 119.914 -0.119 0.000 2.607 55 V HA 0.481 4.600 4.120 -0.001 0.000 0.289 55 V C 1.022 176.890 176.094 -0.377 0.000 1.053 55 V CA -0.453 61.659 62.300 -0.314 0.000 0.996 55 V CB 0.687 32.065 31.823 -0.741 0.000 0.995 55 V HN 0.921 9.111 8.190 -0.000 0.000 0.476 56 Y N 3.764 123.879 120.300 -0.309 0.000 2.200 56 Y HA -0.173 4.377 4.550 -0.001 0.000 0.290 56 Y C 2.559 178.313 175.900 -0.244 0.000 1.137 56 Y CA 2.301 60.264 58.100 -0.228 0.000 1.163 56 Y CB -0.284 38.109 38.460 -0.112 0.000 0.988 56 Y HN 0.903 9.183 8.280 -0.000 0.000 0.518 57 H N -2.223 116.767 119.070 -0.133 0.000 2.568 57 H HA 0.066 4.621 4.556 -0.001 0.000 0.281 57 H C 1.724 176.841 175.328 -0.351 0.000 1.028 57 H CA 1.017 56.937 56.048 -0.213 0.000 1.199 57 H CB -0.414 29.288 29.762 -0.101 0.000 1.352 57 H HN 0.492 8.772 8.280 -0.000 0.000 0.605 58 G N 0.260 108.596 108.800 -0.774 0.000 2.763 58 G HA2 0.179 4.139 3.960 -0.001 0.000 0.205 58 G HA3 0.179 4.139 3.960 -0.001 0.000 0.205 58 G C 1.802 176.228 174.900 -0.789 0.000 1.137 58 G CA 0.397 44.927 45.100 -0.950 0.000 0.839 58 G HN 0.498 8.788 8.290 -0.000 0.000 0.596 59 A N 0.010 122.401 122.820 -0.715 0.000 2.067 59 A HA 0.474 4.793 4.320 -0.001 0.000 0.217 59 A C 1.988 179.451 177.584 -0.201 0.000 1.156 59 A CA 1.616 53.578 52.037 -0.125 0.000 0.683 59 A CB -0.788 18.280 19.000 0.113 0.000 0.808 59 A HN 1.745 9.895 8.150 -0.000 0.000 0.455 60 G N -0.402 108.049 108.800 -0.581 0.000 2.556 60 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.283 60 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.283 60 G C 0.857 175.537 174.900 -0.366 0.000 1.177 60 G CA 1.283 45.966 45.100 -0.695 0.000 0.978 60 G HN 1.692 9.982 8.290 -0.000 0.000 0.554 61 S N 0.112 115.769 115.700 -0.073 0.000 2.601 61 S HA 0.482 4.951 4.470 -0.001 0.000 0.244 61 S C 0.515 175.172 174.600 0.095 0.000 1.001 61 S CA 0.511 58.752 58.200 0.068 0.000 0.984 61 S CB 0.252 63.516 63.200 0.106 0.000 0.842 61 S HN 0.724 9.034 8.310 -0.000 0.000 0.474 62 K N 2.613 123.092 120.400 0.131 0.000 2.202 62 K HA 0.322 4.642 4.320 -0.001 0.000 0.264 62 K C 0.682 177.502 176.600 0.365 0.000 1.010 62 K CA -0.113 56.293 56.287 0.198 0.000 0.940 62 K CB 0.562 33.175 32.500 0.189 0.000 0.983 62 K HN 0.460 8.710 8.250 -0.000 0.000 0.475 63 T N -0.563 114.143 114.554 0.253 0.000 2.802 63 T HA 0.190 4.539 4.350 -0.001 0.000 0.305 63 T C -0.116 174.609 174.700 0.043 0.000 1.053 63 T CA -0.826 61.418 62.100 0.240 0.000 1.058 63 T CB 0.493 69.415 68.868 0.090 0.000 0.988 63 T HN 0.284 8.524 8.240 -0.000 0.000 0.539 64 L N 1.677 122.697 121.223 -0.339 0.000 2.307 64 L HA 0.667 5.006 4.340 -0.001 0.000 0.284 64 L C 0.250 176.901 176.870 -0.366 0.000 1.023 64 L CA -0.669 53.761 54.840 -0.683 0.000 0.810 64 L CB 0.653 41.869 42.059 -1.405 0.000 1.231 64 L HN 1.009 9.239 8.230 -0.000 0.000 0.423 65 A N 3.714 126.369 122.820 -0.275 0.000 2.492 65 A HA 0.599 4.919 4.320 -0.001 0.000 0.254 65 A C 0.394 177.873 177.584 -0.174 0.000 1.091 65 A CA 0.555 52.487 52.037 -0.174 0.000 0.768 65 A CB -0.522 18.396 19.000 -0.136 0.000 1.028 65 A HN 0.952 9.102 8.150 -0.000 0.000 0.498 66 G N 1.375 110.098 108.800 -0.128 0.000 2.818 66 G HA2 0.669 4.629 3.960 -0.001 0.000 0.286 66 G HA3 0.669 4.629 3.960 -0.001 0.000 0.286 66 G C -2.121 172.735 174.900 -0.074 0.000 1.364 66 G CA -0.830 44.205 45.100 -0.109 0.000 0.938 66 G HN 0.344 8.634 8.290 -0.000 0.000 0.490 67 P HA 0.041 4.461 4.420 -0.000 0.000 0.218 67 P C 0.717 177.996 177.300 -0.036 0.000 1.152 67 P CA 0.953 64.025 63.100 -0.046 0.000 0.826 67 P CB 0.372 32.048 31.700 -0.040 0.000 0.790 68 K N 0.282 120.662 120.400 -0.033 0.000 2.596 68 K HA 0.435 4.754 4.320 -0.001 0.000 0.211 68 K C 0.842 177.427 176.600 -0.026 0.000 1.046 68 K CA 0.090 56.362 56.287 -0.025 0.000 1.202 68 K CB -0.219 32.270 32.500 -0.019 0.000 0.925 68 K HN 0.185 8.435 8.250 -0.000 0.000 0.486 69 G N 1.107 109.887 108.800 -0.033 0.000 2.498 69 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.651 69 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.651 69 G C -3.023 171.854 174.900 -0.039 0.000 1.284 69 G CA -1.403 43.678 45.100 -0.031 0.000 0.950 69 G HN -0.085 8.205 8.290 -0.000 0.000 0.511 70 P HA 0.498 4.918 4.420 -0.000 0.000 0.271 70 P C -0.103 177.182 177.300 -0.025 0.000 1.216 70 P CA -0.080 62.997 63.100 -0.039 0.000 0.776 70 P CB 0.563 32.254 31.700 -0.015 0.000 0.881 71 I N 1.849 122.391 120.570 -0.047 0.000 2.359 71 I HA 0.182 4.351 4.170 -0.001 0.000 0.294 71 I C 0.589 176.794 176.117 0.147 0.000 0.987 71 I CA -0.237 61.072 61.300 0.015 0.000 1.225 71 I CB 1.171 39.150 38.000 -0.035 0.000 1.366 71 I HN 0.174 8.384 8.210 -0.000 0.000 0.466 72 T N 5.917 120.567 114.554 0.160 0.000 2.901 72 T HA 0.104 4.453 4.350 -0.001 0.000 0.301 72 T C 0.065 174.929 174.700 0.273 0.000 1.012 72 T CA -0.475 61.741 62.100 0.194 0.000 1.135 72 T CB 0.281 69.211 68.868 0.102 0.000 0.936 72 T HN 0.489 8.729 8.240 -0.000 0.000 0.539 73 Q N 2.291 122.222 119.800 0.219 0.000 2.304 73 Q HA 0.003 4.343 4.340 -0.001 0.000 0.301 73 Q C 1.215 177.209 176.000 -0.010 0.000 1.063 73 Q CA 0.132 55.896 55.803 -0.066 0.000 0.947 73 Q CB 0.258 28.858 28.738 -0.230 0.000 1.201 73 Q HN 0.737 9.007 8.270 -0.000 0.000 0.389 74 M N 0.924 120.506 119.600 -0.030 0.000 2.465 74 M HA 0.207 4.687 4.480 -0.001 0.000 0.249 74 M C -0.521 175.825 176.300 0.077 0.000 1.130 74 M CA 0.672 55.977 55.300 0.009 0.000 1.067 74 M CB 0.535 33.127 32.600 -0.013 0.000 1.394 74 M HN 0.497 8.787 8.290 -0.000 0.000 0.483 75 Y N -0.215 120.002 120.300 -0.137 0.000 2.479 75 Y HA 0.618 5.168 4.550 -0.001 0.000 0.338 75 Y C -1.767 174.088 175.900 -0.076 0.000 1.055 75 Y CA -0.839 57.226 58.100 -0.058 0.000 1.023 75 Y CB 1.947 40.428 38.460 0.036 0.000 1.287 75 Y HN 0.047 8.327 8.280 -0.000 0.000 0.447 76 T N 5.421 119.707 114.554 -0.447 0.000 3.176 76 T HA 0.237 4.587 4.350 -0.001 0.000 0.337 76 T C -1.413 172.995 174.700 -0.487 0.000 0.957 76 T CA -0.667 61.243 62.100 -0.317 0.000 1.092 76 T CB 0.100 68.867 68.868 -0.168 0.000 1.018 76 T HN 0.655 8.895 8.240 -0.000 0.000 0.473 77 N N 2.463 120.882 118.700 -0.468 0.000 2.623 77 N HA 0.359 5.099 4.740 -0.001 0.000 0.256 77 N C 1.091 176.407 175.510 -0.322 0.000 1.045 77 N CA -0.426 52.374 53.050 -0.416 0.000 0.863 77 N CB 0.916 39.175 38.487 -0.380 0.000 1.182 77 N HN 0.178 8.558 8.380 -0.000 0.000 0.523 78 V N 2.154 121.797 119.914 -0.452 0.000 2.490 78 V HA -0.184 3.935 4.120 -0.001 0.000 0.250 78 V C 1.371 177.289 176.094 -0.293 0.000 1.061 78 V CA 1.482 63.425 62.300 -0.594 0.000 1.064 78 V CB -0.298 31.152 31.823 -0.621 0.000 0.670 78 V HN 0.689 8.879 8.190 -0.000 0.000 0.461 79 D N 0.518 120.800 120.400 -0.196 0.000 2.103 79 D HA -0.163 4.476 4.640 -0.001 0.000 0.199 79 D C 2.307 178.563 176.300 -0.072 0.000 0.978 79 D CA 1.524 55.456 54.000 -0.114 0.000 0.829 79 D CB -0.303 40.443 40.800 -0.091 0.000 0.981 79 D HN 0.722 9.092 8.370 -0.000 0.000 0.464 80 Q N 0.467 120.231 119.800 -0.060 0.000 2.472 80 Q HA -0.047 4.292 4.340 -0.001 0.000 0.208 80 Q C -0.107 175.900 176.000 0.011 0.000 0.958 80 Q CA 0.847 56.640 55.803 -0.017 0.000 0.932 80 Q CB 0.115 28.860 28.738 0.011 0.000 1.007 80 Q HN -0.080 8.190 8.270 -0.000 0.000 0.508 81 D N -0.683 119.720 120.400 0.004 0.000 2.835 81 D HA -0.161 4.478 4.640 -0.001 0.000 0.230 81 D C -1.616 174.742 176.300 0.096 0.000 1.130 81 D CA 0.500 54.548 54.000 0.080 0.000 0.738 81 D CB -1.080 39.801 40.800 0.135 0.000 1.090 81 D HN 0.366 8.736 8.370 -0.000 0.000 0.433 82 L N 0.398 121.682 121.223 0.103 0.000 2.381 82 L HA 0.752 5.091 4.340 -0.001 0.000 0.274 82 L C -0.707 176.316 176.870 0.254 0.000 0.988 82 L CA -0.866 54.087 54.840 0.189 0.000 0.824 82 L CB 1.905 44.100 42.059 0.228 0.000 1.263 82 L HN 0.107 8.337 8.230 -0.000 0.000 0.410 83 V N 1.421 121.458 119.914 0.205 0.000 3.074 83 V HA 1.105 5.225 4.120 -0.001 0.000 0.314 83 V C -0.398 175.654 176.094 -0.069 0.000 1.117 83 V CA -0.028 62.307 62.300 0.057 0.000 1.014 83 V CB 1.750 33.425 31.823 -0.248 0.000 1.057 83 V HN 1.018 9.208 8.190 -0.000 0.000 0.438 84 G N 1.671 110.240 108.800 -0.384 0.000 2.740 84 G HA2 0.608 4.567 3.960 -0.001 0.000 0.296 84 G HA3 0.608 4.567 3.960 -0.001 0.000 0.296 84 G C -1.579 172.954 174.900 -0.612 0.000 1.439 84 G CA -0.554 44.140 45.100 -0.677 0.000 1.066 84 G HN 0.767 9.057 8.290 -0.000 0.000 0.527 85 W N 1.689 122.845 121.300 -0.241 0.000 2.666 85 W HA 0.405 5.064 4.660 -0.001 0.000 0.334 85 W C -2.206 174.182 176.519 -0.219 0.000 1.051 85 W CA -2.392 54.851 57.345 -0.170 0.000 1.224 85 W CB 2.025 31.427 29.460 -0.098 0.000 1.405 85 W HN 0.317 8.497 8.180 -0.000 0.000 0.513 86 P HA 0.027 4.447 4.420 -0.000 0.000 0.264 86 P C -0.167 177.137 177.300 0.007 0.000 1.183 86 P CA 0.431 63.526 63.100 -0.009 0.000 0.763 86 P CB 0.375 32.079 31.700 0.007 0.000 0.807 87 A N 6.110 128.914 122.820 -0.025 0.000 2.409 87 A HA 0.428 4.747 4.320 -0.001 0.000 0.267 87 A C -1.704 175.864 177.584 -0.026 0.000 1.127 87 A CA -1.315 50.711 52.037 -0.019 0.000 0.795 87 A CB -1.067 17.920 19.000 -0.021 0.000 1.061 87 A HN 0.450 8.600 8.150 -0.000 0.000 0.502 88 P HA 0.066 4.486 4.420 -0.000 0.000 0.268 88 P C -2.581 174.699 177.300 -0.034 0.000 1.189 88 P CA -0.585 62.487 63.100 -0.047 0.000 0.771 88 P CB -0.422 31.236 31.700 -0.070 0.000 0.822 89 P HA 0.117 4.537 4.420 -0.000 0.000 0.275 89 P C 0.785 178.071 177.300 -0.023 0.000 1.228 89 P CA 0.664 63.751 63.100 -0.022 0.000 0.786 89 P CB 0.696 32.385 31.700 -0.019 0.000 0.927 90 G N 1.693 110.482 108.800 -0.018 0.000 2.493 90 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.206 90 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.206 90 G C 0.353 175.242 174.900 -0.017 0.000 1.109 90 G CA 0.059 45.149 45.100 -0.018 0.000 0.689 90 G HN 0.834 9.124 8.290 -0.000 0.000 0.516 91 A N 1.560 124.368 122.820 -0.020 0.000 2.567 91 A HA 0.514 4.833 4.320 -0.001 0.000 0.240 91 A C 0.782 178.361 177.584 -0.009 0.000 1.053 91 A CA 0.633 52.661 52.037 -0.016 0.000 0.755 91 A CB -0.048 18.944 19.000 -0.013 0.000 0.978 91 A HN 0.611 8.761 8.150 -0.000 0.000 0.507 92 R N 2.748 123.243 120.500 -0.009 0.000 2.248 92 R HA 0.243 4.582 4.340 -0.001 0.000 0.328 92 R C -0.063 176.239 176.300 0.004 0.000 1.067 92 R CA -0.025 56.072 56.100 -0.005 0.000 0.924 92 R CB 0.750 31.043 30.300 -0.012 0.000 1.013 92 R HN 0.597 8.867 8.270 -0.000 0.000 0.454 93 S N 4.204 119.907 115.700 0.006 0.000 2.505 93 S HA 0.244 4.713 4.470 -0.001 0.000 0.276 93 S C 0.418 175.022 174.600 0.007 0.000 1.274 93 S CA -0.470 57.739 58.200 0.015 0.000 1.053 93 S CB 0.385 63.593 63.200 0.012 0.000 0.919 93 S HN 0.404 8.714 8.310 -0.000 0.000 0.490 94 M N 3.088 122.699 119.600 0.019 0.000 2.267 94 M HA 0.308 4.788 4.480 -0.001 0.000 0.303 94 M C 0.369 176.642 176.300 -0.045 0.000 1.164 94 M CA -0.490 54.805 55.300 -0.008 0.000 1.060 94 M CB 0.972 33.585 32.600 0.022 0.000 1.455 94 M HN 0.582 8.872 8.290 -0.000 0.000 0.483 95 T N -1.011 113.456 114.554 -0.145 0.000 2.888 95 T HA 0.533 4.882 4.350 -0.001 0.000 0.284 95 T C -2.733 171.878 174.700 -0.147 0.000 1.017 95 T CA -2.129 59.848 62.100 -0.205 0.000 1.022 95 T CB 1.064 69.696 68.868 -0.393 0.000 1.013 95 T HN 0.279 8.519 8.240 -0.000 0.000 0.465 96 P HA 0.148 4.568 4.420 -0.000 0.000 0.264 96 P C -0.032 177.293 177.300 0.042 0.000 1.193 96 P CA -0.617 62.474 63.100 -0.016 0.000 0.763 96 P CB 0.061 31.750 31.700 -0.019 0.000 0.810 97 C N 4.241 123.598 119.300 0.096 0.000 2.566 97 C HA 0.256 4.716 4.460 -0.001 0.000 0.393 97 C C 1.764 176.811 174.990 0.094 0.000 1.309 97 C CA 0.688 59.797 59.018 0.153 0.000 1.801 97 C CB -1.234 26.576 27.740 0.117 0.000 2.493 97 C HN 0.774 9.004 8.230 -0.000 0.000 0.575 98 T N 1.597 116.214 114.554 0.105 0.000 2.969 98 T HA -0.028 4.322 4.350 -0.001 0.000 0.250 98 T C 1.857 176.585 174.700 0.046 0.000 1.021 98 T CA 0.767 62.904 62.100 0.063 0.000 1.003 98 T CB -0.837 68.067 68.868 0.059 0.000 1.040 98 T HN 0.982 9.222 8.240 -0.000 0.000 0.492 99 C N 2.030 121.356 119.300 0.043 0.000 2.367 99 C HA 0.316 4.776 4.460 -0.001 0.000 0.276 99 C C 2.520 177.520 174.990 0.017 0.000 1.195 99 C CA 0.820 59.849 59.018 0.019 0.000 1.756 99 C CB -1.714 26.023 27.740 -0.005 0.000 2.046 99 C HN 1.094 9.324 8.230 -0.000 0.000 0.453 100 G N -0.399 108.412 108.800 0.019 0.000 2.173 100 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.142 100 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.142 100 G C 0.122 175.031 174.900 0.015 0.000 1.019 100 G CA 0.408 45.520 45.100 0.020 0.000 0.699 100 G HN 0.965 9.255 8.290 -0.000 0.000 0.495 101 S N 0.634 116.339 115.700 0.009 0.000 2.549 101 S HA 0.461 4.930 4.470 -0.001 0.000 0.286 101 S C 1.595 176.194 174.600 -0.001 0.000 1.314 101 S CA 0.903 59.103 58.200 -0.001 0.000 1.062 101 S CB 0.735 63.930 63.200 -0.008 0.000 0.865 101 S HN 1.386 9.696 8.310 -0.000 0.000 0.498 102 S N 2.375 118.070 115.700 -0.007 0.000 2.582 102 S HA 0.247 4.716 4.470 -0.001 0.000 0.234 102 S C -0.551 174.023 174.600 -0.043 0.000 0.961 102 S CA -0.569 57.627 58.200 -0.008 0.000 0.953 102 S CB 0.035 63.238 63.200 0.005 0.000 0.800 102 S HN 0.633 8.943 8.310 -0.000 0.000 0.471 103 D N 2.609 122.968 120.400 -0.068 0.000 2.499 103 D HA 0.435 5.074 4.640 -0.001 0.000 0.225 103 D C 0.023 176.199 176.300 -0.207 0.000 1.124 103 D CA -0.110 53.808 54.000 -0.135 0.000 0.938 103 D CB 0.888 41.625 40.800 -0.104 0.000 1.014 103 D HN 0.391 8.761 8.370 -0.000 0.000 0.517 104 L N 0.544 121.612 121.223 -0.259 0.000 2.421 104 L HA 0.555 4.894 4.340 -0.001 0.000 0.267 104 L C -0.678 175.902 176.870 -0.484 0.000 1.036 104 L CA -1.102 53.582 54.840 -0.261 0.000 0.829 104 L CB 0.863 42.808 42.059 -0.190 0.000 1.437 104 L HN 0.112 8.342 8.230 -0.000 0.000 0.488 105 Y N 0.421 120.671 120.300 -0.083 0.000 2.361 105 Y HA 0.390 4.939 4.550 -0.001 0.000 0.328 105 Y C -0.528 175.315 175.900 -0.095 0.000 1.044 105 Y CA -0.617 57.442 58.100 -0.068 0.000 1.085 105 Y CB 1.971 40.405 38.460 -0.044 0.000 1.194 105 Y HN 0.227 8.507 8.280 -0.000 0.000 0.438 106 L N 4.405 125.638 121.223 0.015 0.000 2.349 106 L HA 0.587 4.926 4.340 -0.001 0.000 0.275 106 L C -0.840 176.040 176.870 0.017 0.000 1.115 106 L CA -0.312 54.502 54.840 -0.043 0.000 0.820 106 L CB 0.813 42.777 42.059 -0.159 0.000 1.135 106 L HN 0.414 8.644 8.230 -0.000 0.000 0.445 107 V N 4.578 124.495 119.914 0.004 0.000 2.364 107 V HA 0.428 4.548 4.120 -0.001 0.000 0.272 107 V C 0.571 176.658 176.094 -0.011 0.000 1.036 107 V CA -0.273 62.033 62.300 0.011 0.000 0.880 107 V CB 0.900 32.729 31.823 0.009 0.000 0.991 107 V HN 0.968 9.158 8.190 -0.000 0.000 0.460 108 T N 2.003 116.549 114.554 -0.013 0.000 2.862 108 T HA 0.323 4.672 4.350 -0.001 0.000 0.276 108 T C 1.109 175.741 174.700 -0.113 0.000 0.974 108 T CA -0.587 61.462 62.100 -0.084 0.000 0.966 108 T CB 1.302 70.092 68.868 -0.130 0.000 1.072 108 T HN 0.535 8.775 8.240 -0.000 0.000 0.538 109 R N -0.422 119.932 120.500 -0.244 0.000 2.152 109 R HA -0.110 4.230 4.340 -0.001 0.000 0.232 109 R C 1.089 177.240 176.300 -0.249 0.000 1.117 109 R CA 1.082 57.022 56.100 -0.267 0.000 0.981 109 R CB -0.371 29.706 30.300 -0.370 0.000 0.870 109 R HN 0.708 8.978 8.270 -0.000 0.000 0.451 110 H N -0.106 118.936 119.070 -0.048 0.000 2.566 110 H HA 0.183 4.738 4.556 -0.001 0.000 0.280 110 H C 0.802 176.160 175.328 0.049 0.000 1.042 110 H CA 0.576 56.631 56.048 0.013 0.000 1.168 110 H CB 0.217 30.006 29.762 0.045 0.000 1.340 110 H HN 0.310 8.590 8.280 -0.000 0.000 0.597 111 A N 0.964 123.841 122.820 0.094 0.000 2.771 111 A HA -0.223 4.096 4.320 -0.001 0.000 0.294 111 A C -0.100 177.550 177.584 0.109 0.000 1.500 111 A CA 0.855 52.939 52.037 0.078 0.000 0.829 111 A CB -1.634 17.418 19.000 0.086 0.000 0.998 111 A HN 0.384 8.534 8.150 -0.000 0.000 0.526 112 D N -0.698 119.795 120.400 0.156 0.000 2.304 112 D HA 0.452 5.091 4.640 -0.001 0.000 0.247 112 D C 0.031 176.398 176.300 0.112 0.000 1.089 112 D CA 0.060 54.159 54.000 0.165 0.000 0.910 112 D CB 1.549 42.529 40.800 0.300 0.000 1.199 112 D HN 0.159 8.529 8.370 -0.000 0.000 0.426 113 V N 4.026 123.992 119.914 0.088 0.000 2.293 113 V HA 0.281 4.400 4.120 -0.001 0.000 0.275 113 V C 0.319 176.516 176.094 0.171 0.000 1.021 113 V CA -0.663 61.685 62.300 0.080 0.000 0.815 113 V CB 0.707 32.510 31.823 -0.034 0.000 1.025 113 V HN 0.346 8.536 8.190 -0.000 0.000 0.448 114 I N 3.108 123.788 120.570 0.184 0.000 2.474 114 I HA 0.702 4.872 4.170 -0.001 0.000 0.294 114 I C -2.848 173.331 176.117 0.102 0.000 1.005 114 I CA -2.901 58.487 61.300 0.146 0.000 1.113 114 I CB 2.569 40.623 38.000 0.089 0.000 1.289 114 I HN 0.301 8.511 8.210 -0.000 0.000 0.436 115 P HA 0.179 4.599 4.420 -0.000 0.000 0.267 115 P C -0.919 176.292 177.300 -0.148 0.000 1.205 115 P CA 0.033 63.028 63.100 -0.175 0.000 0.765 115 P CB 1.013 32.644 31.700 -0.114 0.000 0.828 116 V N 4.830 124.616 119.914 -0.214 0.000 2.638 116 V HA 0.391 4.510 4.120 -0.001 0.000 0.306 116 V C 0.093 176.112 176.094 -0.125 0.000 1.052 116 V CA -0.697 61.524 62.300 -0.133 0.000 0.885 116 V CB 2.201 33.947 31.823 -0.128 0.000 0.999 116 V HN 0.415 8.605 8.190 -0.000 0.000 0.424 117 R N 3.749 124.211 120.500 -0.063 0.000 2.229 117 R HA 0.452 4.792 4.340 -0.001 0.000 0.328 117 R C 0.130 176.437 176.300 0.012 0.000 1.009 117 R CA -0.695 55.380 56.100 -0.043 0.000 0.864 117 R CB 0.853 31.134 30.300 -0.030 0.000 1.085 117 R HN 0.726 8.996 8.270 -0.000 0.000 0.453 118 R N 2.700 123.215 120.500 0.024 0.000 2.570 118 R HA -0.052 4.288 4.340 -0.001 0.000 0.277 118 R C 0.354 176.698 176.300 0.073 0.000 1.039 118 R CA 0.302 56.463 56.100 0.101 0.000 1.065 118 R CB 0.631 31.002 30.300 0.118 0.000 0.964 118 R HN 0.528 8.798 8.270 -0.000 0.000 0.428 119 R N 1.120 121.671 120.500 0.085 0.000 2.316 119 R HA 0.329 4.669 4.340 -0.001 0.000 0.201 119 R C 0.004 176.319 176.300 0.026 0.000 0.888 119 R CA 0.580 56.707 56.100 0.044 0.000 1.041 119 R CB 1.493 31.815 30.300 0.038 0.000 1.115 119 R HN 0.824 9.094 8.270 -0.000 0.000 0.559 120 G N -1.528 107.288 108.800 0.027 0.000 2.489 120 G HA2 0.083 4.043 3.960 -0.001 0.000 0.305 120 G HA3 0.083 4.043 3.960 -0.001 0.000 0.305 120 G C -0.679 174.191 174.900 -0.051 0.000 1.311 120 G CA -0.413 44.676 45.100 -0.017 0.000 0.813 120 G HN -0.099 8.191 8.290 -0.000 0.000 0.480 121 D N -0.057 120.287 120.400 -0.094 0.000 2.123 121 D HA -0.113 4.527 4.640 -0.001 0.000 0.196 121 D C 2.073 178.169 176.300 -0.340 0.000 0.992 121 D CA 2.240 56.166 54.000 -0.124 0.000 0.833 121 D CB 0.085 40.821 40.800 -0.106 0.000 0.954 121 D HN 0.501 8.871 8.370 -0.000 0.000 0.455 122 S N -0.934 114.459 115.700 -0.513 0.000 2.902 122 S HA 0.401 4.870 4.470 -0.001 0.000 0.250 122 S C -0.000 173.982 174.600 -1.030 0.000 1.046 122 S CA -0.775 56.777 58.200 -1.080 0.000 1.069 122 S CB 0.723 63.589 63.200 -0.557 0.000 0.967 122 S HN 0.001 8.311 8.310 -0.000 0.000 0.530 123 R N 0.116 120.273 120.500 -0.571 0.000 2.548 123 R HA 0.687 5.026 4.340 -0.001 0.000 0.280 123 R C -0.706 175.730 176.300 0.227 0.000 1.061 123 R CA 0.093 56.159 56.100 -0.055 0.000 0.915 123 R CB 1.485 31.752 30.300 -0.055 0.000 1.210 123 R HN 0.351 8.621 8.270 -0.000 0.000 0.442 124 G N 1.332 110.314 108.800 0.302 0.000 2.667 124 G HA2 0.449 4.409 3.960 -0.001 0.000 0.298 124 G HA3 0.449 4.409 3.960 -0.001 0.000 0.298 124 G C -1.340 173.631 174.900 0.119 0.000 1.377 124 G CA -0.754 44.474 45.100 0.213 0.000 0.964 124 G HN 0.618 8.908 8.290 -0.000 0.000 0.493 125 S N 0.943 116.681 115.700 0.064 0.000 2.562 125 S HA 0.468 4.937 4.470 -0.001 0.000 0.275 125 S C -0.107 174.501 174.600 0.014 0.000 1.281 125 S CA -0.776 57.448 58.200 0.039 0.000 1.045 125 S CB 1.642 64.857 63.200 0.023 0.000 0.962 125 S HN 0.380 8.690 8.310 -0.000 0.000 0.503 126 L N 3.478 124.710 121.223 0.014 0.000 2.485 126 L HA 0.155 4.495 4.340 -0.001 0.000 0.279 126 L C 1.363 178.226 176.870 -0.011 0.000 1.124 126 L CA -0.023 54.814 54.840 -0.006 0.000 0.888 126 L CB -0.622 41.441 42.059 0.007 0.000 1.217 126 L HN 0.805 9.035 8.230 -0.000 0.000 0.464 127 L N 1.175 122.382 121.223 -0.027 0.000 2.129 127 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 127 L C 0.622 177.481 176.870 -0.018 0.000 1.087 127 L CA 1.133 55.958 54.840 -0.025 0.000 0.757 127 L CB -0.297 41.738 42.059 -0.040 0.000 0.896 127 L HN 0.585 8.815 8.230 -0.000 0.000 0.434 128 S N -0.864 114.825 115.700 -0.019 0.000 2.640 128 S HA 0.416 4.886 4.470 -0.001 0.000 0.320 128 S C -2.199 172.390 174.600 -0.018 0.000 1.097 128 S CA -1.021 57.167 58.200 -0.019 0.000 1.092 128 S CB 1.938 65.121 63.200 -0.028 0.000 0.988 128 S HN -0.084 8.226 8.310 -0.000 0.000 0.470 129 P HA 0.226 4.646 4.420 -0.000 0.000 0.268 129 P C -0.471 176.825 177.300 -0.006 0.000 1.208 129 P CA -0.262 62.841 63.100 0.004 0.000 0.777 129 P CB 0.503 32.209 31.700 0.009 0.000 0.875 130 R N 2.118 122.630 120.500 0.021 0.000 2.686 130 R HA 0.456 4.795 4.340 -0.001 0.000 0.283 130 R C -2.691 173.659 176.300 0.082 0.000 0.978 130 R CA -2.651 53.465 56.100 0.027 0.000 0.897 130 R CB 1.007 31.366 30.300 0.098 0.000 1.192 130 R HN 0.264 8.534 8.270 -0.000 0.000 0.457 131 P HA -0.078 4.342 4.420 -0.000 0.000 0.265 131 P C 1.090 178.497 177.300 0.179 0.000 1.187 131 P CA -0.020 63.150 63.100 0.117 0.000 0.766 131 P CB 0.651 32.418 31.700 0.111 0.000 0.820 132 V N 2.854 122.856 119.914 0.147 0.000 2.453 132 V HA -0.265 3.854 4.120 -0.001 0.000 0.252 132 V C 1.981 178.179 176.094 0.174 0.000 1.068 132 V CA 2.932 65.328 62.300 0.160 0.000 1.070 132 V CB -1.150 30.746 31.823 0.121 0.000 0.664 132 V HN 0.742 8.932 8.190 -0.000 0.000 0.461 133 S N -1.521 114.279 115.700 0.166 0.000 2.489 133 S HA -0.172 4.298 4.470 -0.001 0.000 0.228 133 S C 1.891 176.616 174.600 0.208 0.000 0.995 133 S CA 1.150 59.444 58.200 0.157 0.000 0.934 133 S CB -0.729 62.550 63.200 0.130 0.000 0.771 133 S HN 0.822 9.132 8.310 -0.000 0.000 0.522 134 Y N 1.433 121.813 120.300 0.133 0.000 2.395 134 Y HA 0.257 4.807 4.550 -0.001 0.000 0.293 134 Y C 1.532 177.557 175.900 0.208 0.000 1.123 134 Y CA 0.659 58.868 58.100 0.181 0.000 1.227 134 Y CB -0.109 38.420 38.460 0.114 0.000 1.012 134 Y HN 0.225 8.505 8.280 -0.000 0.000 0.552 135 L N 0.614 121.882 121.223 0.075 0.000 2.509 135 L HA 0.054 4.393 4.340 -0.001 0.000 0.222 135 L C 0.646 177.580 176.870 0.107 0.000 1.123 135 L CA 0.577 55.444 54.840 0.046 0.000 0.856 135 L CB -0.942 41.264 42.059 0.244 0.000 0.985 135 L HN -0.060 8.170 8.230 -0.000 0.000 0.456 136 K N 0.605 121.061 120.400 0.094 0.000 2.448 136 K HA 0.287 4.607 4.320 -0.001 0.000 0.278 136 K C 1.187 177.810 176.600 0.038 0.000 1.009 136 K CA 0.831 57.173 56.287 0.093 0.000 0.995 136 K CB 0.046 32.600 32.500 0.089 0.000 0.917 136 K HN 0.278 8.528 8.250 -0.000 0.000 0.481 137 G N 1.559 110.401 108.800 0.071 0.000 2.175 137 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.244 137 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.244 137 G C 0.709 175.634 174.900 0.042 0.000 0.982 137 G CA 0.421 45.545 45.100 0.040 0.000 0.641 137 G HN 0.499 8.789 8.290 -0.000 0.000 0.527 138 S N 0.009 115.784 115.700 0.125 0.000 2.559 138 S HA 0.372 4.842 4.470 -0.001 0.000 0.226 138 S C 1.162 176.004 174.600 0.402 0.000 1.000 138 S CA 0.509 58.826 58.200 0.195 0.000 0.948 138 S CB 0.496 63.773 63.200 0.127 0.000 0.870 138 S HN 0.556 8.866 8.310 -0.000 0.000 0.497 139 S N 1.316 117.175 115.700 0.265 0.000 2.563 139 S HA 0.357 4.827 4.470 -0.001 0.000 0.294 139 S C 1.436 176.145 174.600 0.182 0.000 1.279 139 S CA 0.899 59.140 58.200 0.067 0.000 1.069 139 S CB 0.445 63.638 63.200 -0.012 0.000 0.828 139 S HN 0.744 9.054 8.310 -0.000 0.000 0.497 140 G N 2.325 111.219 108.800 0.157 0.000 2.234 140 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.235 140 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.235 140 G C 0.415 175.450 174.900 0.225 0.000 0.997 140 G CA -0.153 45.072 45.100 0.208 0.000 0.623 140 G HN 1.131 9.421 8.290 -0.000 0.000 0.514 141 G N 1.137 110.088 108.800 0.252 0.000 2.606 141 G HA2 0.563 4.523 3.960 -0.001 0.000 0.252 141 G HA3 0.563 4.523 3.960 -0.001 0.000 0.252 141 G C -2.059 172.938 174.900 0.162 0.000 1.206 141 G CA -0.187 45.022 45.100 0.182 0.000 0.861 141 G HN 0.365 8.655 8.290 -0.000 0.000 0.561 142 P HA 0.320 4.740 4.420 -0.000 0.000 0.290 142 P C -0.903 176.398 177.300 0.002 0.000 1.276 142 P CA -0.575 62.559 63.100 0.055 0.000 0.808 142 P CB 1.892 33.623 31.700 0.052 0.000 0.966 143 L N 3.953 125.133 121.223 -0.073 0.000 2.275 143 L HA 0.319 4.658 4.340 -0.001 0.000 0.288 143 L C 0.140 176.952 176.870 -0.097 0.000 1.046 143 L CA -0.453 54.289 54.840 -0.163 0.000 0.805 143 L CB 0.687 42.468 42.059 -0.464 0.000 1.193 143 L HN 0.231 8.461 8.230 -0.000 0.000 0.426 144 L N 3.096 124.312 121.223 -0.012 0.000 2.334 144 L HA 0.543 4.883 4.340 -0.001 0.000 0.273 144 L C 0.026 176.941 176.870 0.075 0.000 1.013 144 L CA -0.679 54.194 54.840 0.055 0.000 0.816 144 L CB 1.497 43.617 42.059 0.103 0.000 1.278 144 L HN 0.746 8.976 8.230 -0.000 0.000 0.431 145 C N 0.855 120.195 119.300 0.067 0.000 2.480 145 C HA 0.484 4.943 4.460 -0.001 0.000 0.358 145 C C -1.208 173.847 174.990 0.108 0.000 1.309 145 C CA -1.270 57.783 59.018 0.059 0.000 2.465 145 C CB 0.411 28.162 27.740 0.018 0.000 2.379 145 C HN 0.731 8.961 8.230 -0.000 0.000 0.642 146 P HA -0.057 4.363 4.420 -0.000 0.000 0.225 146 P C 1.397 178.707 177.300 0.016 0.000 1.148 146 P CA 1.801 64.991 63.100 0.150 0.000 0.779 146 P CB -0.156 31.620 31.700 0.127 0.000 0.780 147 S N -2.325 113.333 115.700 -0.070 0.000 2.593 147 S HA 0.311 4.781 4.470 -0.001 0.000 0.217 147 S C 1.649 176.176 174.600 -0.122 0.000 0.966 147 S CA 0.377 58.477 58.200 -0.167 0.000 0.914 147 S CB -1.013 61.959 63.200 -0.380 0.000 0.776 147 S HN 0.272 8.582 8.310 -0.000 0.000 0.523 148 G N 0.816 109.605 108.800 -0.017 0.000 2.175 148 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.244 148 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.244 148 G C -0.037 174.976 174.900 0.189 0.000 0.982 148 G CA 0.071 45.211 45.100 0.067 0.000 0.641 148 G HN 0.715 9.005 8.290 -0.000 0.000 0.527 149 H N -0.545 118.534 119.070 0.015 0.000 2.547 149 H HA 0.459 5.015 4.556 -0.001 0.000 0.362 149 H C 0.159 175.492 175.328 0.009 0.000 1.181 149 H CA -0.503 55.553 56.048 0.013 0.000 1.376 149 H CB 1.582 31.352 29.762 0.013 0.000 1.488 149 H HN 0.087 8.367 8.280 -0.000 0.000 0.583 150 V N 3.062 123.047 119.914 0.119 0.000 2.432 150 V HA -0.043 4.076 4.120 -0.001 0.000 0.275 150 V C 1.271 177.383 176.094 0.030 0.000 1.043 150 V CA -0.113 62.218 62.300 0.052 0.000 0.925 150 V CB 1.186 33.026 31.823 0.029 0.000 0.985 150 V HN 0.726 8.916 8.190 -0.000 0.000 0.466 151 V N 2.165 122.077 119.914 -0.004 0.000 3.307 151 V HA 0.716 4.835 4.120 -0.001 0.000 0.253 151 V C 0.727 176.837 176.094 0.026 0.000 1.149 151 V CA 1.308 63.609 62.300 0.002 0.000 1.112 151 V CB 0.057 31.854 31.823 -0.043 0.000 0.777 151 V HN 1.101 9.291 8.190 -0.000 0.000 0.464 152 G N -0.418 108.363 108.800 -0.033 0.000 2.321 152 G HA2 0.504 4.464 3.960 -0.001 0.000 0.296 152 G HA3 0.504 4.464 3.960 -0.001 0.000 0.296 152 G C -2.267 172.650 174.900 0.028 0.000 1.287 152 G CA -0.299 44.835 45.100 0.057 0.000 0.846 152 G HN 0.172 8.462 8.290 -0.000 0.000 0.508 153 I N 0.343 120.995 120.570 0.136 0.000 2.478 153 I HA 0.505 4.675 4.170 -0.001 0.000 0.287 153 I C -0.444 175.829 176.117 0.260 0.000 1.042 153 I CA -0.747 60.647 61.300 0.157 0.000 1.067 153 I CB 1.620 39.690 38.000 0.118 0.000 1.233 153 I HN 0.513 8.723 8.210 -0.000 0.000 0.431 154 F N 7.266 127.273 119.950 0.096 0.000 2.629 154 F HA 0.124 4.651 4.527 -0.001 0.000 0.377 154 F C 1.252 177.146 175.800 0.156 0.000 1.101 154 F CA 0.666 58.742 58.000 0.127 0.000 1.301 154 F CB 0.419 39.471 39.000 0.088 0.000 1.062 154 F HN 0.670 8.970 8.300 -0.000 0.000 0.583 155 R N 3.288 123.636 120.500 -0.253 0.000 2.551 155 R HA 0.615 4.955 4.340 -0.001 0.000 0.202 155 R C -1.158 174.880 176.300 -0.438 0.000 0.861 155 R CA 0.575 56.523 56.100 -0.253 0.000 1.018 155 R CB 0.405 30.720 30.300 0.025 0.000 1.435 155 R HN 0.675 8.945 8.270 -0.000 0.000 0.659 156 A N 0.583 123.155 122.820 -0.412 0.000 2.566 156 A HA 0.732 5.052 4.320 -0.001 0.000 0.297 156 A C -1.670 175.989 177.584 0.125 0.000 1.059 156 A CA -0.375 51.544 52.037 -0.198 0.000 0.691 156 A CB 1.700 20.645 19.000 -0.091 0.000 1.282 156 A HN 0.284 8.434 8.150 -0.000 0.000 0.401 157 A N 1.155 124.083 122.820 0.179 0.000 2.249 157 A HA 0.593 4.912 4.320 -0.001 0.000 0.314 157 A C 0.159 177.832 177.584 0.148 0.000 1.290 157 A CA -0.064 52.139 52.037 0.277 0.000 0.893 157 A CB 0.308 19.484 19.000 0.293 0.000 1.165 157 A HN 2.179 10.329 8.150 -0.000 0.000 0.530 158 V N 3.330 123.321 119.914 0.129 0.000 2.427 158 V HA 0.530 4.649 4.120 -0.001 0.000 0.268 158 V C -0.232 175.906 176.094 0.074 0.000 1.046 158 V CA -0.274 62.073 62.300 0.080 0.000 0.970 158 V CB -0.666 31.194 31.823 0.062 0.000 1.001 158 V HN 0.872 9.062 8.190 -0.000 0.000 0.476 159 C N 4.318 123.654 119.300 0.060 0.000 2.848 159 C HA 0.885 5.344 4.460 -0.001 0.000 0.317 159 C C 0.177 175.191 174.990 0.041 0.000 1.260 159 C CA -0.335 58.718 59.018 0.057 0.000 1.656 159 C CB 2.164 29.942 27.740 0.064 0.000 2.174 159 C HN 0.973 9.203 8.230 -0.000 0.000 0.479 160 T N 0.953 115.530 114.554 0.038 0.000 3.071 160 T HA 0.404 4.754 4.350 -0.001 0.000 0.311 160 T C -0.361 174.357 174.700 0.030 0.000 1.042 160 T CA -0.621 61.497 62.100 0.029 0.000 1.028 160 T CB 0.969 69.852 68.868 0.024 0.000 1.068 160 T HN 0.747 8.987 8.240 -0.000 0.000 0.451 161 R N 1.795 122.310 120.500 0.026 0.000 3.387 161 R HA -0.237 4.103 4.340 -0.001 0.000 0.254 161 R C 1.206 177.525 176.300 0.032 0.000 1.006 161 R CA 0.958 57.073 56.100 0.026 0.000 0.677 161 R CB -1.897 28.416 30.300 0.021 0.000 1.063 161 R HN 1.312 9.582 8.270 -0.000 0.000 0.453 162 G N -1.462 107.362 108.800 0.040 0.000 2.179 162 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.260 162 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.260 162 G C 0.057 174.992 174.900 0.059 0.000 0.977 162 G CA 0.155 45.285 45.100 0.050 0.000 0.641 162 G HN 0.901 9.191 8.290 -0.000 0.000 0.533 163 V N -1.098 118.847 119.914 0.052 0.000 2.513 163 V HA 0.921 5.040 4.120 -0.001 0.000 0.299 163 V C 0.194 176.327 176.094 0.064 0.000 1.035 163 V CA -0.109 62.224 62.300 0.056 0.000 0.889 163 V CB 1.785 33.632 31.823 0.039 0.000 0.988 163 V HN 1.717 9.907 8.190 -0.000 0.000 0.440 164 A N 4.400 127.267 122.820 0.078 0.000 2.252 164 A HA 0.657 4.976 4.320 -0.001 0.000 0.309 164 A C 0.479 178.104 177.584 0.067 0.000 1.285 164 A CA -0.516 51.575 52.037 0.090 0.000 0.900 164 A CB 0.832 19.909 19.000 0.128 0.000 1.157 164 A HN 1.013 9.163 8.150 -0.000 0.000 0.536 165 K N 1.074 121.511 120.400 0.061 0.000 2.348 165 K HA 0.468 4.788 4.320 -0.001 0.000 0.194 165 K C 0.483 177.113 176.600 0.051 0.000 1.052 165 K CA 1.136 57.450 56.287 0.045 0.000 1.004 165 K CB 0.739 33.261 32.500 0.036 0.000 0.873 165 K HN 0.841 9.091 8.250 -0.000 0.000 0.523 166 A N 0.022 122.886 122.820 0.074 0.000 2.588 166 A HA 0.656 4.976 4.320 -0.001 0.000 0.290 166 A C -1.552 176.118 177.584 0.143 0.000 1.136 166 A CA -0.725 51.365 52.037 0.089 0.000 0.681 166 A CB 1.256 20.305 19.000 0.080 0.000 1.282 166 A HN -0.034 8.116 8.150 -0.000 0.000 0.421 167 V N -1.415 118.612 119.914 0.188 0.000 2.876 167 V HA 0.778 4.898 4.120 -0.001 0.000 0.312 167 V C -1.038 175.256 176.094 0.334 0.000 1.085 167 V CA -0.582 61.912 62.300 0.323 0.000 0.945 167 V CB 1.669 33.687 31.823 0.325 0.000 1.017 167 V HN 0.972 9.162 8.190 -0.000 0.000 0.428 168 D N 2.837 123.431 120.400 0.324 0.000 2.193 168 D HA 0.698 5.338 4.640 -0.001 0.000 0.244 168 D C -0.667 175.820 176.300 0.310 0.000 1.064 168 D CA -0.340 53.775 54.000 0.191 0.000 0.845 168 D CB 1.379 42.221 40.800 0.070 0.000 1.148 168 D HN 0.714 9.084 8.370 -0.000 0.000 0.464 169 F N 1.671 121.686 119.950 0.108 0.000 2.613 169 F HA 0.611 5.138 4.527 -0.001 0.000 0.314 169 F C -1.300 174.526 175.800 0.044 0.000 1.075 169 F CA -1.347 56.715 58.000 0.105 0.000 0.945 169 F CB 0.897 39.980 39.000 0.138 0.000 1.310 169 F HN 0.108 8.408 8.300 -0.000 0.000 0.467 170 I N 3.185 123.909 120.570 0.257 0.000 2.297 170 I HA 0.336 4.506 4.170 -0.001 0.000 0.291 170 I C -2.356 173.861 176.117 0.166 0.000 1.033 170 I CA -2.006 59.352 61.300 0.095 0.000 1.253 170 I CB 0.945 38.975 38.000 0.049 0.000 1.396 170 I HN 0.334 8.544 8.210 -0.000 0.000 0.476 171 P HA -0.083 4.337 4.420 -0.000 0.000 0.264 171 P C 1.021 178.317 177.300 -0.007 0.000 1.183 171 P CA 0.162 63.330 63.100 0.114 0.000 0.763 171 P CB 0.852 32.554 31.700 0.004 0.000 0.807 172 V N 3.204 123.112 119.914 -0.009 0.000 2.546 172 V HA -0.289 3.831 4.120 -0.001 0.000 0.254 172 V C 1.797 177.796 176.094 -0.159 0.000 1.076 172 V CA 2.094 64.317 62.300 -0.128 0.000 1.087 172 V CB -0.808 30.973 31.823 -0.070 0.000 0.674 172 V HN 0.516 8.706 8.190 -0.000 0.000 0.470 173 E N 0.370 120.516 120.200 -0.089 0.000 2.049 173 E HA -0.199 4.151 4.350 -0.001 0.000 0.198 173 E C 2.381 178.907 176.600 -0.124 0.000 1.007 173 E CA 1.885 58.235 56.400 -0.084 0.000 0.809 173 E CB -0.619 29.055 29.700 -0.045 0.000 0.749 173 E HN 0.610 8.970 8.360 -0.000 0.000 0.450 174 S N -0.116 115.503 115.700 -0.135 0.000 2.461 174 S HA -0.154 4.316 4.470 -0.001 0.000 0.246 174 S C 0.883 175.297 174.600 -0.310 0.000 1.007 174 S CA 0.786 58.894 58.200 -0.153 0.000 0.976 174 S CB -0.217 62.911 63.200 -0.121 0.000 0.763 174 S HN 0.176 8.486 8.310 -0.000 0.000 0.508 175 M N 0.000 119.311 119.600 -0.482 0.000 2.572 175 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 175 M CA 0.000 54.758 55.300 -0.903 0.000 0.988 175 M CB 0.000 31.841 32.600 -1.266 0.000 1.302 175 M HN 0.000 8.290 8.290 -0.000 0.000 0.411