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 2w4n_1_A DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEML DATA SEQUENCE IASTGVIGRQ YPMESIREHL KTLEWPAGEG GFDRAARAIM TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGMLEP DMA 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 8 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 8 T C 0.000 174.801 174.700 0.169 0.000 1.109 8 T CA 0.000 62.193 62.100 0.154 0.000 1.349 8 T CB 0.000 68.909 68.868 0.068 0.000 0.612 9 P HA 0.560 4.980 4.420 -0.000 0.000 0.274 9 P C -0.417 177.095 177.300 0.353 0.000 1.231 9 P CA -0.407 62.848 63.100 0.258 0.000 0.790 9 P CB 0.586 32.447 31.700 0.269 0.000 0.951 10 R N 0.806 121.449 120.500 0.239 0.000 2.490 10 R HA 0.414 4.753 4.340 -0.001 0.000 0.280 10 R C 1.444 177.757 176.300 0.022 0.000 1.077 10 R CA 0.427 56.603 56.100 0.127 0.000 1.065 10 R CB -0.725 29.612 30.300 0.061 0.000 1.003 10 R HN 0.909 9.179 8.270 -0.000 0.000 0.470 11 G N 1.355 110.134 108.800 -0.035 0.000 2.143 11 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.249 11 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.249 11 G C -0.385 174.333 174.900 -0.303 0.000 0.981 11 G CA -0.128 44.854 45.100 -0.196 0.000 0.665 11 G HN 0.429 8.719 8.290 -0.000 0.000 0.528 12 F N 0.241 120.276 119.950 0.141 0.000 2.458 12 F HA 0.672 5.199 4.527 -0.000 0.000 0.336 12 F C 0.612 176.455 175.800 0.070 0.000 1.114 12 F CA -0.738 57.355 58.000 0.155 0.000 0.987 12 F CB 2.111 41.276 39.000 0.276 0.000 1.130 12 F HN 0.296 8.596 8.300 -0.000 0.000 0.458 13 V N 0.505 120.552 119.914 0.223 0.000 3.046 13 V HA 0.904 5.024 4.120 -0.001 0.000 0.316 13 V C -1.065 175.006 176.094 -0.039 0.000 1.104 13 V CA -1.069 61.288 62.300 0.095 0.000 1.006 13 V CB 1.914 33.864 31.823 0.212 0.000 1.058 13 V HN 0.429 8.619 8.190 -0.000 0.000 0.440 14 V N 1.763 121.615 119.914 -0.102 0.000 2.488 14 V HA 0.413 4.533 4.120 -0.001 0.000 0.293 14 V C -0.884 175.189 176.094 -0.036 0.000 1.027 14 V CA -0.343 61.869 62.300 -0.147 0.000 0.862 14 V CB 1.114 32.745 31.823 -0.320 0.000 1.008 14 V HN 1.136 9.326 8.190 -0.000 0.000 0.428 15 H N 3.394 122.403 119.070 -0.102 0.000 2.517 15 H HA 0.732 5.287 4.556 -0.001 0.000 0.317 15 H C 0.073 175.378 175.328 -0.038 0.000 1.080 15 H CA 0.208 56.230 56.048 -0.044 0.000 1.301 15 H CB 1.337 31.081 29.762 -0.029 0.000 1.425 15 H HN 0.787 9.067 8.280 -0.000 0.000 0.471 16 T N 2.326 116.642 114.554 -0.397 0.000 2.900 16 T HA 0.846 5.195 4.350 -0.001 0.000 0.295 16 T C -0.841 173.658 174.700 -0.335 0.000 1.044 16 T CA -0.577 61.355 62.100 -0.279 0.000 0.995 16 T CB 1.778 70.561 68.868 -0.141 0.000 1.072 16 T HN 0.805 9.045 8.240 -0.000 0.000 0.473 17 A N 2.699 125.436 122.820 -0.139 0.000 2.594 17 A HA 0.845 5.165 4.320 -0.001 0.000 0.296 17 A C -3.222 174.310 177.584 -0.086 0.000 1.061 17 A CA -1.705 50.267 52.037 -0.108 0.000 0.689 17 A CB 1.297 20.239 19.000 -0.097 0.000 1.280 17 A HN 0.659 8.809 8.150 -0.000 0.000 0.406 18 P HA 0.293 4.713 4.420 -0.000 0.000 0.271 18 P C 0.041 177.257 177.300 -0.140 0.000 1.220 18 P CA 0.196 63.254 63.100 -0.070 0.000 0.768 18 P CB 1.183 32.860 31.700 -0.037 0.000 0.848 19 V N 1.621 121.458 119.914 -0.128 0.000 3.330 19 V HA 0.298 4.418 4.120 -0.001 0.000 0.309 19 V C 1.549 177.590 176.094 -0.088 0.000 1.481 19 V CA 0.459 62.654 62.300 -0.174 0.000 1.068 19 V CB -0.123 31.524 31.823 -0.293 0.000 0.935 19 V HN 0.856 9.046 8.190 -0.000 0.000 0.453 20 G N 0.950 109.723 108.800 -0.046 0.000 2.136 20 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.242 20 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.242 20 G C 0.721 175.621 174.900 0.000 0.000 0.989 20 G CA 0.622 45.710 45.100 -0.020 0.000 0.682 20 G HN 0.444 8.734 8.290 -0.000 0.000 0.522 21 L N -0.329 120.899 121.223 0.008 0.000 2.079 21 L HA 0.235 4.574 4.340 -0.001 0.000 0.210 21 L C 1.995 178.890 176.870 0.041 0.000 1.081 21 L CA 1.865 56.730 54.840 0.042 0.000 0.752 21 L CB -0.318 41.771 42.059 0.051 0.000 0.896 21 L HN 0.652 8.882 8.230 -0.000 0.000 0.433 22 A N -1.243 121.592 122.820 0.025 0.000 2.354 22 A HA 0.544 4.864 4.320 -0.001 0.000 0.321 22 A C -0.426 177.164 177.584 0.011 0.000 1.125 22 A CA 0.035 52.083 52.037 0.019 0.000 0.799 22 A CB 0.605 19.615 19.000 0.017 0.000 1.293 22 A HN 0.189 8.339 8.150 -0.000 0.000 0.452 23 D N 0.936 121.341 120.400 0.009 0.000 2.563 23 D HA 0.426 5.066 4.640 -0.001 0.000 0.222 23 D C -0.115 176.187 176.300 0.003 0.000 1.145 23 D CA 0.168 54.171 54.000 0.005 0.000 1.001 23 D CB -0.067 40.735 40.800 0.004 0.000 1.049 23 D HN 0.572 8.942 8.370 -0.000 0.000 0.515 24 D N -1.368 119.033 120.400 0.002 0.000 2.497 24 D HA 0.216 4.856 4.640 -0.001 0.000 0.256 24 D C 1.422 177.721 176.300 -0.002 0.000 1.273 24 D CA 0.640 54.640 54.000 0.001 0.000 0.812 24 D CB -0.332 40.469 40.800 0.002 0.000 1.190 24 D HN 0.858 9.228 8.370 -0.000 0.000 0.524 25 G N 1.133 109.931 108.800 -0.004 0.000 2.198 25 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.260 25 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.260 25 G C 0.161 175.055 174.900 -0.009 0.000 1.025 25 G CA 0.213 45.309 45.100 -0.007 0.000 0.769 25 G HN 0.498 8.788 8.290 -0.000 0.000 0.507 26 R N 0.386 120.882 120.500 -0.008 0.000 2.457 26 R HA 0.338 4.678 4.340 -0.001 0.000 0.284 26 R C -0.498 175.794 176.300 -0.014 0.000 1.024 26 R CA -0.683 55.412 56.100 -0.009 0.000 1.025 26 R CB 0.418 30.716 30.300 -0.004 0.000 1.063 26 R HN 0.111 8.382 8.270 -0.000 0.000 0.493 27 D N 2.006 122.395 120.400 -0.018 0.000 2.531 27 D HA -0.051 4.588 4.640 -0.001 0.000 0.239 27 D C 0.374 176.668 176.300 -0.010 0.000 1.144 27 D CA 1.008 54.993 54.000 -0.024 0.000 0.869 27 D CB 0.658 41.438 40.800 -0.033 0.000 1.160 27 D HN 0.493 8.863 8.370 -0.000 0.000 0.484 28 D N 1.202 121.605 120.400 0.005 0.000 2.475 28 D HA 0.012 4.652 4.640 -0.001 0.000 0.306 28 D C -0.446 175.890 176.300 0.060 0.000 1.304 28 D CA -0.433 53.579 54.000 0.021 0.000 0.862 28 D CB -0.843 39.968 40.800 0.018 0.000 1.306 28 D HN 0.236 8.606 8.370 -0.000 0.000 0.494 29 F N 1.714 121.587 119.950 -0.127 0.000 2.499 29 F HA 0.631 5.158 4.527 -0.001 0.000 0.333 29 F C -1.213 174.541 175.800 -0.077 0.000 1.138 29 F CA -0.100 57.819 58.000 -0.135 0.000 0.945 29 F CB 2.012 40.865 39.000 -0.244 0.000 1.181 29 F HN -0.255 8.044 8.300 -0.000 0.000 0.435 30 T N 5.590 119.866 114.554 -0.464 0.000 2.841 30 T HA 0.656 5.006 4.350 -0.001 0.000 0.283 30 T C -1.168 173.281 174.700 -0.419 0.000 1.000 30 T CA -0.664 61.251 62.100 -0.308 0.000 0.977 30 T CB 1.875 70.641 68.868 -0.170 0.000 0.979 30 T HN 0.304 8.544 8.240 -0.000 0.000 0.446 31 V N 3.744 123.526 119.914 -0.219 0.000 2.443 31 V HA 0.440 4.560 4.120 -0.001 0.000 0.293 31 V C -0.710 175.321 176.094 -0.105 0.000 1.021 31 V CA -0.844 61.336 62.300 -0.200 0.000 0.848 31 V CB 1.628 33.317 31.823 -0.222 0.000 0.998 31 V HN 0.725 8.915 8.190 -0.000 0.000 0.424 32 L N 5.224 126.402 121.223 -0.074 0.000 2.257 32 L HA 0.865 5.205 4.340 -0.001 0.000 0.290 32 L C 0.225 177.128 176.870 0.055 0.000 1.044 32 L CA 0.436 55.275 54.840 -0.002 0.000 0.810 32 L CB 0.765 42.852 42.059 0.046 0.000 1.193 32 L HN 0.826 9.056 8.230 -0.000 0.000 0.425 33 A N 3.200 126.076 122.820 0.094 0.000 2.515 33 A HA 0.789 5.109 4.320 -0.001 0.000 0.296 33 A C -1.017 176.742 177.584 0.290 0.000 1.094 33 A CA -0.590 51.529 52.037 0.137 0.000 0.718 33 A CB 1.823 20.774 19.000 -0.083 0.000 1.307 33 A HN 0.535 8.685 8.150 -0.000 0.000 0.408 34 S N -0.572 115.262 115.700 0.224 0.000 2.451 34 S HA 0.465 4.935 4.470 -0.001 0.000 0.301 34 S C 1.087 175.763 174.600 0.127 0.000 1.116 34 S CA 0.178 58.359 58.200 -0.032 0.000 1.093 34 S CB 0.694 63.789 63.200 -0.175 0.000 1.017 34 S HN 0.946 9.256 8.310 -0.000 0.000 0.482 35 T N 2.125 116.667 114.554 -0.020 0.000 3.085 35 T HA 0.333 4.683 4.350 -0.001 0.000 0.263 35 T C 0.574 175.182 174.700 -0.153 0.000 1.127 35 T CA 0.339 62.340 62.100 -0.164 0.000 1.103 35 T CB -0.070 68.649 68.868 -0.249 0.000 0.921 35 T HN 0.653 8.893 8.240 -0.000 0.000 0.510 36 A N 1.972 124.710 122.820 -0.136 0.000 2.350 36 A HA 0.734 5.053 4.320 -0.001 0.000 0.324 36 A C -2.867 174.683 177.584 -0.057 0.000 1.118 36 A CA -2.407 49.566 52.037 -0.106 0.000 0.783 36 A CB 0.983 19.906 19.000 -0.128 0.000 1.236 36 A HN 0.038 8.188 8.150 -0.000 0.000 0.457 37 P HA 0.300 4.720 4.420 -0.000 0.000 0.266 37 P C -0.487 176.820 177.300 0.011 0.000 1.193 37 P CA 0.424 63.528 63.100 0.005 0.000 0.770 37 P CB 0.667 32.372 31.700 0.007 0.000 0.836 38 A N 1.671 124.517 122.820 0.043 0.000 2.414 38 A HA 0.645 4.965 4.320 -0.001 0.000 0.306 38 A C -0.325 177.302 177.584 0.071 0.000 1.054 38 A CA -0.478 51.601 52.037 0.070 0.000 0.724 38 A CB 0.863 19.936 19.000 0.121 0.000 1.267 38 A HN 0.506 8.656 8.150 -0.000 0.000 0.418 39 T N -0.156 114.439 114.554 0.068 0.000 2.817 39 T HA 0.528 4.878 4.350 -0.001 0.000 0.293 39 T C -0.061 174.682 174.700 0.072 0.000 0.964 39 T CA -0.541 61.595 62.100 0.060 0.000 1.085 39 T CB 1.232 70.128 68.868 0.046 0.000 0.921 39 T HN 1.121 9.361 8.240 -0.000 0.000 0.502 40 V N 2.256 122.211 119.914 0.068 0.000 2.769 40 V HA 0.775 4.895 4.120 -0.001 0.000 0.312 40 V C -0.775 175.347 176.094 0.047 0.000 1.058 40 V CA -0.525 61.815 62.300 0.067 0.000 0.952 40 V CB 2.267 34.140 31.823 0.083 0.000 1.019 40 V HN 1.170 9.360 8.190 -0.000 0.000 0.445 41 S N 4.115 119.829 115.700 0.023 0.000 2.571 41 S HA 0.931 5.401 4.470 -0.001 0.000 0.284 41 S C -0.640 173.930 174.600 -0.050 0.000 1.128 41 S CA -0.192 58.008 58.200 -0.000 0.000 0.970 41 S CB 1.622 64.815 63.200 -0.012 0.000 1.039 41 S HN 1.393 9.703 8.310 -0.000 0.000 0.485 42 A N 1.755 124.522 122.820 -0.088 0.000 2.556 42 A HA 0.955 5.275 4.320 -0.001 0.000 0.294 42 A C -0.740 176.558 177.584 -0.477 0.000 1.091 42 A CA -0.937 50.915 52.037 -0.308 0.000 0.704 42 A CB 1.393 20.214 19.000 -0.298 0.000 1.300 42 A HN 1.594 9.744 8.150 -0.000 0.000 0.406 43 V N -1.660 117.786 119.914 -0.779 0.000 3.078 43 V HA 1.002 5.121 4.120 -0.001 0.000 0.311 43 V C -1.178 174.341 176.094 -0.958 0.000 1.138 43 V CA -1.031 60.881 62.300 -0.647 0.000 1.007 43 V CB 1.489 33.172 31.823 -0.234 0.000 1.045 43 V HN 0.912 9.102 8.190 -0.000 0.000 0.432 44 F N -0.492 119.463 119.950 0.009 0.000 2.643 44 F HA 0.717 5.244 4.527 -0.001 0.000 0.314 44 F C 0.666 176.474 175.800 0.012 0.000 1.096 44 F CA -0.590 57.416 58.000 0.011 0.000 0.953 44 F CB 1.850 40.858 39.000 0.013 0.000 1.345 44 F HN 0.818 9.118 8.300 -0.000 0.000 0.468 45 T N 0.261 114.949 114.554 0.223 0.000 2.709 45 T HA 0.099 4.449 4.350 -0.001 0.000 0.345 45 T C 0.767 175.542 174.700 0.124 0.000 1.086 45 T CA 0.346 62.526 62.100 0.134 0.000 1.084 45 T CB 0.355 69.289 68.868 0.111 0.000 1.000 45 T HN 0.688 8.928 8.240 -0.000 0.000 0.549 46 R N 1.065 121.617 120.500 0.086 0.000 2.600 46 R HA 0.204 4.544 4.340 -0.001 0.000 0.392 46 R C 0.329 176.666 176.300 0.062 0.000 1.032 46 R CA -0.315 55.827 56.100 0.070 0.000 1.139 46 R CB 0.490 30.825 30.300 0.058 0.000 1.400 46 R HN 0.507 8.777 8.270 -0.000 0.000 0.566 47 S N 1.089 116.833 115.700 0.073 0.000 2.549 47 S HA 0.041 4.511 4.470 -0.001 0.000 0.286 47 S C 1.410 176.069 174.600 0.098 0.000 1.314 47 S CA -0.261 57.993 58.200 0.091 0.000 1.062 47 S CB 0.586 63.850 63.200 0.107 0.000 0.865 47 S HN 0.221 8.531 8.310 -0.000 0.000 0.498 48 R N 3.136 123.713 120.500 0.129 0.000 2.237 48 R HA -0.022 4.318 4.340 -0.001 0.000 0.219 48 R C 0.163 176.510 176.300 0.079 0.000 1.080 48 R CA 0.925 57.086 56.100 0.101 0.000 0.995 48 R CB -0.375 30.005 30.300 0.132 0.000 0.875 48 R HN 0.638 8.908 8.270 -0.000 0.000 0.462 49 F N 0.823 120.772 119.950 -0.002 0.000 2.819 49 F HA 0.341 4.868 4.527 -0.001 0.000 0.294 49 F C 0.731 176.527 175.800 -0.006 0.000 1.166 49 F CA -1.135 56.862 58.000 -0.006 0.000 1.374 49 F CB -0.252 38.744 39.000 -0.006 0.000 0.956 49 F HN -0.153 8.147 8.300 -0.000 0.000 0.509 50 A N 0.766 123.639 122.820 0.088 0.000 2.580 50 A HA 0.341 4.661 4.320 -0.001 0.000 0.244 50 A C 1.194 178.790 177.584 0.020 0.000 1.045 50 A CA 0.627 52.692 52.037 0.046 0.000 0.761 50 A CB -0.419 18.584 19.000 0.006 0.000 0.962 50 A HN 0.485 8.635 8.150 -0.000 0.000 0.512 51 G N 2.564 111.381 108.800 0.028 0.000 2.569 51 G HA2 0.423 4.382 3.960 -0.001 0.000 0.249 51 G HA3 0.423 4.382 3.960 -0.001 0.000 0.249 51 G C -0.916 173.973 174.900 -0.020 0.000 1.216 51 G CA -0.600 44.505 45.100 0.008 0.000 0.845 51 G HN 0.555 8.845 8.290 -0.000 0.000 0.568 52 P HA -0.086 4.334 4.420 -0.000 0.000 0.220 52 P C 1.832 179.115 177.300 -0.028 0.000 1.148 52 P CA 1.036 64.115 63.100 -0.035 0.000 0.803 52 P CB 0.187 31.869 31.700 -0.031 0.000 0.782 53 S N -0.032 115.667 115.700 -0.002 0.000 2.402 53 S HA -0.103 4.367 4.470 -0.001 0.000 0.233 53 S C 2.087 176.660 174.600 -0.045 0.000 1.030 53 S CA 1.250 59.456 58.200 0.010 0.000 1.003 53 S CB -1.166 62.066 63.200 0.053 0.000 0.813 53 S HN 0.023 8.333 8.310 -0.000 0.000 0.477 54 V N 1.353 121.225 119.914 -0.070 0.000 2.307 54 V HA -0.133 3.986 4.120 -0.001 0.000 0.245 54 V C 2.325 178.214 176.094 -0.341 0.000 1.045 54 V CA 1.420 63.611 62.300 -0.181 0.000 1.024 54 V CB -0.774 30.997 31.823 -0.085 0.000 0.651 54 V HN 0.358 8.548 8.190 -0.000 0.000 0.449 55 V N -0.149 119.643 119.914 -0.202 0.000 2.343 55 V HA -0.254 3.866 4.120 -0.001 0.000 0.247 55 V C 2.251 178.237 176.094 -0.180 0.000 1.051 55 V CA 2.007 64.199 62.300 -0.180 0.000 1.036 55 V CB -0.573 31.187 31.823 -0.104 0.000 0.654 55 V HN 0.443 8.633 8.190 -0.000 0.000 0.451 56 L N -1.298 119.844 121.223 -0.135 0.000 2.240 56 L HA -0.108 4.232 4.340 -0.001 0.000 0.211 56 L C 2.547 179.353 176.870 -0.107 0.000 1.106 56 L CA 0.752 55.537 54.840 -0.092 0.000 0.793 56 L CB -0.581 41.452 42.059 -0.044 0.000 0.927 56 L HN 0.365 8.595 8.230 -0.000 0.000 0.446 57 C N 0.041 119.235 119.300 -0.176 0.000 2.429 57 C HA -0.123 4.336 4.460 -0.001 0.000 0.277 57 C C 2.923 177.745 174.990 -0.280 0.000 1.262 57 C CA 0.661 59.568 59.018 -0.186 0.000 1.733 57 C CB -0.856 26.756 27.740 -0.213 0.000 2.010 57 C HN 0.452 8.682 8.230 -0.000 0.000 0.483 58 R N 0.729 120.922 120.500 -0.511 0.000 2.096 58 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 58 R C 2.007 178.242 176.300 -0.109 0.000 1.127 58 R CA 1.309 57.196 56.100 -0.355 0.000 0.968 58 R CB -0.403 29.695 30.300 -0.337 0.000 0.861 58 R HN 0.676 8.946 8.270 -0.000 0.000 0.440 59 E N 0.769 120.908 120.200 -0.102 0.000 2.047 59 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 59 E C 2.157 178.751 176.600 -0.009 0.000 0.987 59 E CA 1.041 57.416 56.400 -0.043 0.000 0.799 59 E CB -0.115 29.558 29.700 -0.045 0.000 0.752 59 E HN 0.337 8.697 8.360 -0.000 0.000 0.449 60 A N 1.133 123.949 122.820 -0.007 0.000 1.917 60 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 60 A C 2.478 180.096 177.584 0.056 0.000 1.182 60 A CA 1.970 54.023 52.037 0.027 0.000 0.633 60 A CB -0.910 18.111 19.000 0.036 0.000 0.819 60 A HN 0.272 8.422 8.150 -0.000 0.000 0.448 61 V N -3.119 116.847 119.914 0.086 0.000 3.306 61 V HA 0.273 4.393 4.120 -0.001 0.000 0.264 61 V C 2.271 178.416 176.094 0.085 0.000 1.149 61 V CA 1.094 63.462 62.300 0.113 0.000 1.143 61 V CB -1.223 30.720 31.823 0.199 0.000 0.767 61 V HN 0.573 8.763 8.190 -0.000 0.000 0.476 62 A N 2.371 125.227 122.820 0.060 0.000 2.009 62 A HA -0.310 4.010 4.320 -0.001 0.000 0.222 62 A C 1.847 179.456 177.584 0.042 0.000 1.175 62 A CA 2.437 54.501 52.037 0.045 0.000 0.651 62 A CB -0.839 18.176 19.000 0.025 0.000 0.815 62 A HN 0.871 9.021 8.150 -0.000 0.000 0.459 63 D N -2.364 118.061 120.400 0.041 0.000 2.340 63 D HA 0.289 4.929 4.640 -0.001 0.000 0.217 63 D C 1.071 177.395 176.300 0.040 0.000 1.081 63 D CA 0.656 54.678 54.000 0.036 0.000 0.842 63 D CB -0.910 39.908 40.800 0.030 0.000 0.934 63 D HN 0.870 9.240 8.370 -0.000 0.000 0.511 64 G N 0.372 109.202 108.800 0.049 0.000 2.249 64 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.273 64 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.273 64 G C -0.136 174.795 174.900 0.052 0.000 1.036 64 G CA 0.129 45.260 45.100 0.051 0.000 0.824 64 G HN 0.443 8.733 8.290 -0.000 0.000 0.504 65 Q N -0.664 119.169 119.800 0.055 0.000 2.295 65 Q HA 0.782 5.121 4.340 -0.001 0.000 0.259 65 Q C -0.167 175.871 176.000 0.063 0.000 0.966 65 Q CA 0.433 56.268 55.803 0.054 0.000 0.763 65 Q CB 1.557 30.321 28.738 0.044 0.000 1.283 65 Q HN 1.317 9.587 8.270 -0.000 0.000 0.445 66 A N 2.478 125.342 122.820 0.075 0.000 2.609 66 A HA 0.810 5.129 4.320 -0.001 0.000 0.291 66 A C -0.547 177.096 177.584 0.098 0.000 1.096 66 A CA -0.545 51.542 52.037 0.082 0.000 0.684 66 A CB 1.477 20.531 19.000 0.090 0.000 1.282 66 A HN 0.620 8.770 8.150 -0.000 0.000 0.412 67 R N -0.400 120.160 120.500 0.101 0.000 2.541 67 R HA 0.425 4.765 4.340 -0.001 0.000 0.332 67 R C 0.500 176.884 176.300 0.140 0.000 0.951 67 R CA 0.583 56.758 56.100 0.124 0.000 1.136 67 R CB 1.479 31.851 30.300 0.121 0.000 1.449 67 R HN 1.256 9.526 8.270 -0.000 0.000 0.531 68 G N -0.260 108.605 108.800 0.108 0.000 2.321 68 G HA2 0.316 4.276 3.960 -0.001 0.000 0.296 68 G HA3 0.316 4.276 3.960 -0.001 0.000 0.296 68 G C -2.113 172.815 174.900 0.046 0.000 1.287 68 G CA -0.356 44.797 45.100 0.088 0.000 0.846 68 G HN -0.045 8.245 8.290 -0.000 0.000 0.508 69 V N -0.853 119.067 119.914 0.011 0.000 2.971 69 V HA 0.779 4.899 4.120 -0.001 0.000 0.309 69 V C -1.092 174.952 176.094 -0.083 0.000 1.130 69 V CA -0.641 61.653 62.300 -0.011 0.000 0.964 69 V CB 1.852 33.687 31.823 0.021 0.000 1.029 69 V HN 1.632 9.822 8.190 -0.000 0.000 0.427 70 V N 7.209 127.058 119.914 -0.108 0.000 2.384 70 V HA 0.751 4.871 4.120 -0.001 0.000 0.287 70 V C -0.938 175.051 176.094 -0.176 0.000 1.020 70 V CA -0.044 62.123 62.300 -0.222 0.000 0.850 70 V CB 1.693 33.357 31.823 -0.265 0.000 0.987 70 V HN 0.768 8.958 8.190 -0.000 0.000 0.436 71 V N 7.821 127.598 119.914 -0.228 0.000 2.409 71 V HA 0.543 4.663 4.120 -0.001 0.000 0.291 71 V C -0.420 175.585 176.094 -0.147 0.000 1.020 71 V CA -0.613 61.611 62.300 -0.127 0.000 0.848 71 V CB 1.349 33.124 31.823 -0.080 0.000 0.990 71 V HN 0.762 8.952 8.190 -0.000 0.000 0.430 72 L N 4.348 125.545 121.223 -0.043 0.000 2.307 72 L HA 0.879 5.219 4.340 -0.001 0.000 0.284 72 L C 0.325 177.230 176.870 0.058 0.000 1.023 72 L CA -0.150 54.697 54.840 0.011 0.000 0.810 72 L CB 1.714 43.782 42.059 0.015 0.000 1.231 72 L HN 0.785 9.015 8.230 -0.000 0.000 0.423 73 A N 2.473 125.322 122.820 0.049 0.000 2.350 73 A HA 0.870 5.190 4.320 -0.001 0.000 0.324 73 A C 0.443 178.063 177.584 0.060 0.000 1.118 73 A CA -0.466 51.599 52.037 0.048 0.000 0.783 73 A CB 1.021 20.036 19.000 0.025 0.000 1.236 73 A HN 0.765 8.915 8.150 -0.000 0.000 0.457 74 R N -0.645 119.891 120.500 0.059 0.000 3.728 74 R HA -0.124 4.216 4.340 -0.001 0.000 0.478 74 R C -0.240 176.112 176.300 0.087 0.000 0.932 74 R CA 1.510 57.646 56.100 0.061 0.000 1.317 74 R CB -1.660 28.667 30.300 0.045 0.000 1.987 74 R HN 0.725 8.995 8.270 -0.000 0.000 0.509 75 N N -0.829 117.950 118.700 0.131 0.000 2.478 75 N HA 0.519 5.259 4.740 -0.001 0.000 0.291 75 N C -0.158 175.449 175.510 0.162 0.000 1.090 75 N CA 0.436 53.579 53.050 0.155 0.000 0.911 75 N CB 1.840 40.489 38.487 0.271 0.000 1.546 75 N HN 0.096 8.476 8.380 -0.000 0.000 0.500 76 A N 2.917 125.780 122.820 0.072 0.000 2.178 76 A HA 0.087 4.407 4.320 -0.001 0.000 0.211 76 A C 0.782 178.372 177.584 0.010 0.000 1.157 76 A CA 0.283 52.354 52.037 0.056 0.000 0.780 76 A CB -0.443 18.580 19.000 0.038 0.000 0.828 76 A HN 0.807 8.957 8.150 -0.000 0.000 0.476 77 N N -0.783 117.862 118.700 -0.092 0.000 2.669 77 N HA -0.145 4.595 4.740 -0.001 0.000 0.266 77 N C -1.050 174.384 175.510 -0.126 0.000 1.024 77 N CA 0.964 53.854 53.050 -0.267 0.000 0.766 77 N CB -1.211 36.953 38.487 -0.539 0.000 0.898 77 N HN 0.206 8.586 8.380 -0.000 0.000 0.548 78 V N 0.494 120.369 119.914 -0.065 0.000 2.841 78 V HA 0.789 4.909 4.120 -0.001 0.000 0.310 78 V C 0.763 176.872 176.094 0.025 0.000 1.090 78 V CA -0.360 61.940 62.300 0.002 0.000 0.930 78 V CB 1.527 33.373 31.823 0.037 0.000 1.014 78 V HN 0.768 8.958 8.190 -0.000 0.000 0.425 79 A N 3.044 125.904 122.820 0.068 0.000 2.872 79 A HA -0.164 4.156 4.320 -0.001 0.000 0.273 79 A C 0.842 178.446 177.584 0.033 0.000 1.442 79 A CA 1.326 53.426 52.037 0.105 0.000 0.801 79 A CB -2.138 16.963 19.000 0.168 0.000 1.031 79 A HN 1.654 9.804 8.150 -0.000 0.000 0.582 80 T N -2.455 112.090 114.554 -0.014 0.000 3.248 80 T HA 0.566 4.916 4.350 -0.001 0.000 0.271 80 T C 1.726 176.404 174.700 -0.038 0.000 1.005 80 T CA 0.960 63.037 62.100 -0.040 0.000 0.902 80 T CB -0.037 68.778 68.868 -0.089 0.000 1.102 80 T HN 2.494 10.734 8.240 -0.000 0.000 0.548 81 G N 1.944 110.727 108.800 -0.028 0.000 2.692 81 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.248 81 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.248 81 G C 0.412 175.292 174.900 -0.033 0.000 1.340 81 G CA -0.129 44.954 45.100 -0.028 0.000 0.896 81 G HN 0.656 8.946 8.290 -0.000 0.000 0.570 82 L N 0.206 121.413 121.223 -0.027 0.000 2.191 82 L HA 0.095 4.435 4.340 -0.001 0.000 0.212 82 L C 2.466 179.326 176.870 -0.018 0.000 1.103 82 L CA 2.976 57.802 54.840 -0.023 0.000 0.769 82 L CB -0.564 41.484 42.059 -0.019 0.000 0.908 82 L HN 0.836 9.066 8.230 -0.000 0.000 0.438 83 E N -0.580 119.609 120.200 -0.017 0.000 2.038 83 E HA -0.216 4.134 4.350 -0.001 0.000 0.195 83 E C 2.113 178.701 176.600 -0.020 0.000 1.000 83 E CA 1.266 57.659 56.400 -0.012 0.000 0.803 83 E CB -0.529 29.164 29.700 -0.012 0.000 0.750 83 E HN 0.619 8.979 8.360 -0.000 0.000 0.448 84 G N 0.721 109.493 108.800 -0.047 0.000 2.440 84 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.218 84 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.218 84 G C 1.286 176.157 174.900 -0.049 0.000 1.154 84 G CA 1.076 46.123 45.100 -0.087 0.000 0.767 84 G HN 0.356 8.646 8.290 -0.000 0.000 0.552 85 E N 0.424 120.604 120.200 -0.032 0.000 2.058 85 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 85 E C 2.420 179.022 176.600 0.003 0.000 0.997 85 E CA 1.253 57.643 56.400 -0.017 0.000 0.801 85 E CB -0.173 29.514 29.700 -0.022 0.000 0.746 85 E HN 0.577 8.937 8.360 -0.000 0.000 0.450 86 E N 0.624 120.828 120.200 0.007 0.000 2.051 86 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 86 E C 1.972 178.601 176.600 0.048 0.000 0.991 86 E CA 0.998 57.411 56.400 0.021 0.000 0.799 86 E CB -0.021 29.688 29.700 0.016 0.000 0.748 86 E HN 0.158 8.518 8.360 -0.000 0.000 0.449 87 N N 0.640 119.378 118.700 0.063 0.000 2.104 87 N HA -0.172 4.568 4.740 -0.001 0.000 0.190 87 N C 1.616 177.235 175.510 0.182 0.000 1.024 87 N CA 1.421 54.553 53.050 0.137 0.000 0.853 87 N CB -0.482 38.112 38.487 0.178 0.000 1.008 87 N HN 0.169 8.549 8.380 -0.000 0.000 0.424 88 A N 1.296 124.200 122.820 0.141 0.000 1.858 88 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 88 A C 2.238 179.876 177.584 0.090 0.000 1.190 88 A CA 1.347 53.469 52.037 0.141 0.000 0.617 88 A CB -0.545 18.502 19.000 0.078 0.000 0.827 88 A HN 0.212 8.362 8.150 -0.000 0.000 0.443 89 R N -0.623 119.910 120.500 0.055 0.000 2.112 89 R HA -0.229 4.111 4.340 -0.001 0.000 0.242 89 R C 2.384 178.713 176.300 0.049 0.000 1.137 89 R CA 1.987 58.111 56.100 0.040 0.000 0.944 89 R CB -0.377 29.938 30.300 0.025 0.000 0.857 89 R HN 0.821 9.091 8.270 -0.000 0.000 0.435 90 E N 0.221 120.456 120.200 0.059 0.000 2.051 90 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 90 E C 1.892 178.530 176.600 0.062 0.000 0.991 90 E CA 1.426 57.859 56.400 0.054 0.000 0.799 90 E CB 0.133 29.866 29.700 0.056 0.000 0.748 90 E HN 0.127 8.487 8.360 -0.000 0.000 0.449 91 V N 1.583 121.551 119.914 0.090 0.000 2.358 91 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 91 V C 2.696 178.841 176.094 0.085 0.000 1.047 91 V CA 1.826 64.185 62.300 0.098 0.000 1.035 91 V CB -0.660 31.230 31.823 0.111 0.000 0.658 91 V HN 0.291 8.481 8.190 -0.000 0.000 0.452 92 R N 0.358 120.899 120.500 0.069 0.000 2.096 92 R HA -0.163 4.177 4.340 -0.001 0.000 0.235 92 R C 2.347 178.666 176.300 0.031 0.000 1.127 92 R CA 2.106 58.232 56.100 0.042 0.000 0.968 92 R CB -0.353 29.969 30.300 0.036 0.000 0.861 92 R HN 0.668 8.938 8.270 -0.000 0.000 0.440 93 E N 0.246 120.465 120.200 0.033 0.000 2.028 93 E HA -0.050 4.300 4.350 -0.001 0.000 0.191 93 E C 1.966 178.579 176.600 0.021 0.000 0.988 93 E CA 1.317 57.731 56.400 0.024 0.000 0.799 93 E CB -0.869 28.845 29.700 0.024 0.000 0.755 93 E HN 0.555 8.915 8.360 -0.000 0.000 0.447 94 A N 0.187 123.024 122.820 0.028 0.000 2.024 94 A HA 0.030 4.350 4.320 -0.001 0.000 0.220 94 A C 2.676 180.272 177.584 0.019 0.000 1.164 94 A CA 1.715 53.766 52.037 0.023 0.000 0.643 94 A CB -0.500 18.516 19.000 0.026 0.000 0.806 94 A HN 0.419 8.569 8.150 -0.000 0.000 0.451 95 V N -0.553 119.379 119.914 0.030 0.000 2.323 95 V HA -0.164 3.956 4.120 -0.001 0.000 0.244 95 V C 3.034 179.096 176.094 -0.052 0.000 1.041 95 V CA 1.674 63.973 62.300 -0.003 0.000 1.025 95 V CB -0.964 30.856 31.823 -0.005 0.000 0.656 95 V HN 0.623 8.813 8.190 -0.000 0.000 0.451 96 A N 0.425 123.231 122.820 -0.023 0.000 1.884 96 A HA -0.330 3.989 4.320 -0.001 0.000 0.219 96 A C 2.490 180.076 177.584 0.004 0.000 1.197 96 A CA 3.270 55.301 52.037 -0.009 0.000 0.637 96 A CB -0.903 18.104 19.000 0.012 0.000 0.827 96 A HN 0.524 8.674 8.150 -0.000 0.000 0.450 97 R N -0.929 119.575 120.500 0.007 0.000 2.073 97 R HA 0.114 4.454 4.340 -0.001 0.000 0.234 97 R C 2.610 178.917 176.300 0.012 0.000 1.134 97 R CA 2.379 58.488 56.100 0.015 0.000 0.952 97 R CB -1.782 28.524 30.300 0.010 0.000 0.850 97 R HN 1.077 9.347 8.270 -0.000 0.000 0.433 98 A N 0.882 123.691 122.820 -0.018 0.000 1.940 98 A HA 0.067 4.387 4.320 -0.001 0.000 0.219 98 A C 2.209 179.768 177.584 -0.043 0.000 1.176 98 A CA 1.495 53.507 52.037 -0.043 0.000 0.631 98 A CB -0.159 18.787 19.000 -0.091 0.000 0.814 98 A HN 0.472 8.622 8.150 -0.000 0.000 0.446 99 L N -1.322 119.855 121.223 -0.077 0.000 2.607 99 L HA 0.270 4.610 4.340 -0.001 0.000 0.228 99 L C 1.384 178.481 176.870 0.378 0.000 1.123 99 L CA 0.309 55.129 54.840 -0.034 0.000 0.890 99 L CB -0.600 41.094 42.059 -0.607 0.000 1.103 99 L HN 0.510 8.740 8.230 -0.000 0.000 0.468 100 G N 1.734 110.652 108.800 0.198 0.000 2.323 100 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.292 100 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.292 100 G C -0.184 174.816 174.900 0.166 0.000 1.040 100 G CA 0.198 45.399 45.100 0.168 0.000 0.942 100 G HN 0.276 8.566 8.290 -0.000 0.000 0.506 101 L N -0.201 121.107 121.223 0.142 0.000 2.331 101 L HA 0.523 4.862 4.340 -0.001 0.000 0.275 101 L C -1.818 175.095 176.870 0.070 0.000 1.022 101 L CA -2.500 52.412 54.840 0.119 0.000 0.812 101 L CB 1.789 43.925 42.059 0.127 0.000 1.257 101 L HN -0.121 8.109 8.230 -0.000 0.000 0.435 102 P HA -0.034 4.386 4.420 -0.000 0.000 0.261 102 P C 0.379 177.702 177.300 0.038 0.000 1.183 102 P CA 0.235 63.361 63.100 0.043 0.000 0.761 102 P CB 0.584 32.307 31.700 0.039 0.000 0.785 103 E N 3.212 123.430 120.200 0.029 0.000 2.136 103 E HA -0.261 4.088 4.350 -0.001 0.000 0.208 103 E C 1.994 178.609 176.600 0.025 0.000 1.035 103 E CA 1.925 58.340 56.400 0.024 0.000 0.838 103 E CB -0.608 29.103 29.700 0.019 0.000 0.748 103 E HN 0.683 9.043 8.360 -0.000 0.000 0.459 104 G N -0.318 108.497 108.800 0.025 0.000 2.586 104 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.215 104 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.215 104 G C 1.151 176.073 174.900 0.036 0.000 1.128 104 G CA 0.523 45.639 45.100 0.026 0.000 0.774 104 G HN 0.296 8.586 8.290 -0.000 0.000 0.543 105 E N -1.101 119.123 120.200 0.041 0.000 2.476 105 E HA 0.296 4.646 4.350 -0.001 0.000 0.196 105 E C 0.063 176.694 176.600 0.052 0.000 1.029 105 E CA -0.418 56.013 56.400 0.053 0.000 0.896 105 E CB 0.202 29.938 29.700 0.060 0.000 1.012 105 E HN 0.272 8.632 8.360 -0.000 0.000 0.475 106 M N 1.541 121.164 119.600 0.038 0.000 2.197 106 M HA 0.344 4.824 4.480 -0.001 0.000 0.301 106 M C -1.486 174.832 176.300 0.030 0.000 0.987 106 M CA -0.728 54.587 55.300 0.027 0.000 0.921 106 M CB 1.029 33.632 32.600 0.005 0.000 1.569 106 M HN -0.144 8.146 8.290 -0.000 0.000 0.431 107 L N 4.391 125.638 121.223 0.041 0.000 2.488 107 L HA 0.704 5.044 4.340 -0.001 0.000 0.249 107 L C -0.332 176.556 176.870 0.031 0.000 1.151 107 L CA -1.110 53.760 54.840 0.050 0.000 0.806 107 L CB 0.929 43.046 42.059 0.097 0.000 1.261 107 L HN 0.838 9.068 8.230 -0.000 0.000 0.484 108 I N -0.061 120.534 120.570 0.041 0.000 2.692 108 I HA 0.723 4.893 4.170 -0.001 0.000 0.293 108 I C -1.446 174.705 176.117 0.058 0.000 1.200 108 I CA -0.183 61.137 61.300 0.033 0.000 1.036 108 I CB 1.954 39.979 38.000 0.042 0.000 1.258 108 I HN 0.739 8.949 8.210 -0.000 0.000 0.421 109 A N 4.445 127.296 122.820 0.052 0.000 2.515 109 A HA 0.873 5.193 4.320 -0.001 0.000 0.298 109 A C -1.297 176.333 177.584 0.076 0.000 1.059 109 A CA -0.519 51.562 52.037 0.073 0.000 0.698 109 A CB 2.042 21.085 19.000 0.072 0.000 1.289 109 A HN 0.592 8.742 8.150 -0.000 0.000 0.404 110 S N -0.031 115.728 115.700 0.097 0.000 2.614 110 S HA 0.743 5.213 4.470 -0.001 0.000 0.275 110 S C -0.947 173.713 174.600 0.100 0.000 1.161 110 S CA -0.123 58.156 58.200 0.131 0.000 0.969 110 S CB 1.564 64.892 63.200 0.214 0.000 1.059 110 S HN 1.257 9.567 8.310 -0.000 0.000 0.482 111 T N 2.698 117.305 114.554 0.089 0.000 2.893 111 T HA 0.861 5.211 4.350 -0.001 0.000 0.293 111 T C 0.096 174.835 174.700 0.065 0.000 1.027 111 T CA 0.682 62.821 62.100 0.065 0.000 0.988 111 T CB 1.054 69.950 68.868 0.047 0.000 1.043 111 T HN 1.318 9.558 8.240 -0.000 0.000 0.461 112 G N 1.898 110.729 108.800 0.051 0.000 2.334 112 G HA2 0.204 4.164 3.960 -0.001 0.000 0.249 112 G HA3 0.204 4.164 3.960 -0.001 0.000 0.249 112 G C -0.954 173.967 174.900 0.034 0.000 1.327 112 G CA -0.223 44.905 45.100 0.046 0.000 0.979 112 G HN 0.901 9.191 8.290 -0.000 0.000 0.471 113 V N 1.360 121.294 119.914 0.033 0.000 2.617 113 V HA 0.215 4.335 4.120 -0.001 0.000 0.304 113 V C 0.945 177.046 176.094 0.011 0.000 1.040 113 V CA 0.591 62.903 62.300 0.019 0.000 1.149 113 V CB 0.370 32.205 31.823 0.021 0.000 0.914 113 V HN 0.505 8.695 8.190 -0.000 0.000 0.487 114 I N 3.890 124.461 120.570 0.003 0.000 2.440 114 I HA 0.536 4.706 4.170 -0.001 0.000 0.294 114 I C 1.272 177.386 176.117 -0.005 0.000 0.995 114 I CA 0.426 61.726 61.300 -0.001 0.000 1.306 114 I CB 1.097 39.095 38.000 -0.004 0.000 1.407 114 I HN 0.852 9.062 8.210 -0.000 0.000 0.501 115 G N 3.001 111.798 108.800 -0.005 0.000 2.136 115 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.242 115 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.242 115 G C 0.104 174.996 174.900 -0.012 0.000 0.989 115 G CA 0.208 45.306 45.100 -0.004 0.000 0.682 115 G HN 1.003 9.293 8.290 -0.000 0.000 0.522 116 R N -0.097 120.389 120.500 -0.023 0.000 2.575 116 R HA 0.795 5.134 4.340 -0.001 0.000 0.293 116 R C 0.080 176.351 176.300 -0.047 0.000 0.983 116 R CA -0.636 55.453 56.100 -0.018 0.000 0.887 116 R CB 0.762 31.064 30.300 0.002 0.000 1.184 116 R HN 0.359 8.629 8.270 -0.000 0.000 0.445 117 Q N 1.609 121.389 119.800 -0.034 0.000 2.352 117 Q HA 0.193 4.533 4.340 -0.001 0.000 0.260 117 Q C -0.503 175.512 176.000 0.025 0.000 0.976 117 Q CA -0.062 55.714 55.803 -0.045 0.000 0.881 117 Q CB 0.476 29.210 28.738 -0.007 0.000 1.235 117 Q HN 0.632 8.902 8.270 -0.000 0.000 0.419 118 Y N 2.486 122.798 120.300 0.020 0.000 2.550 118 Y HA -0.011 4.539 4.550 -0.000 0.000 0.343 118 Y C -1.283 174.624 175.900 0.012 0.000 1.245 118 Y CA -1.712 56.401 58.100 0.020 0.000 1.462 118 Y CB -0.416 38.061 38.460 0.028 0.000 1.340 118 Y HN 0.402 8.682 8.280 -0.000 0.000 0.604 119 P HA -0.033 4.387 4.420 -0.000 0.000 0.244 119 P C 0.482 177.817 177.300 0.059 0.000 1.723 119 P CA 0.259 63.411 63.100 0.087 0.000 1.110 119 P CB 0.080 31.808 31.700 0.047 0.000 1.972 120 M N 1.716 121.363 119.600 0.079 0.000 2.117 120 M HA -0.141 4.338 4.480 -0.001 0.000 0.262 120 M C 2.391 178.693 176.300 0.005 0.000 1.065 120 M CA 2.265 57.594 55.300 0.049 0.000 1.114 120 M CB -1.767 30.877 32.600 0.073 0.000 1.361 120 M HN 0.307 8.598 8.290 -0.000 0.000 0.408 121 E N -0.025 120.178 120.200 0.006 0.000 2.077 121 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 121 E C 2.189 178.775 176.600 -0.023 0.000 0.989 121 E CA 1.864 58.260 56.400 -0.007 0.000 0.800 121 E CB -1.025 28.673 29.700 -0.002 0.000 0.746 121 E HN 0.528 8.888 8.360 -0.000 0.000 0.452 122 S N -0.464 115.219 115.700 -0.028 0.000 2.356 122 S HA -0.076 4.394 4.470 -0.001 0.000 0.223 122 S C 2.157 176.708 174.600 -0.082 0.000 1.032 122 S CA 1.188 59.360 58.200 -0.046 0.000 1.005 122 S CB -0.413 62.760 63.200 -0.046 0.000 0.867 122 S HN 0.549 8.859 8.310 -0.000 0.000 0.449 123 I N 0.966 121.466 120.570 -0.116 0.000 2.179 123 I HA -0.203 3.966 4.170 -0.001 0.000 0.242 123 I C 2.846 178.872 176.117 -0.151 0.000 1.088 123 I CA 1.332 62.513 61.300 -0.198 0.000 1.357 123 I CB -0.390 37.491 38.000 -0.199 0.000 1.051 123 I HN 0.277 8.487 8.210 -0.000 0.000 0.409 124 R N 0.723 121.174 120.500 -0.082 0.000 2.083 124 R HA -0.197 4.143 4.340 -0.001 0.000 0.237 124 R C 2.627 178.889 176.300 -0.064 0.000 1.137 124 R CA 2.020 58.084 56.100 -0.059 0.000 0.951 124 R CB -0.766 29.515 30.300 -0.032 0.000 0.851 124 R HN 0.474 8.744 8.270 -0.000 0.000 0.434 125 E N 0.600 120.768 120.200 -0.055 0.000 2.118 125 E HA -0.279 4.071 4.350 -0.001 0.000 0.195 125 E C 1.625 178.178 176.600 -0.079 0.000 0.992 125 E CA 1.980 58.347 56.400 -0.055 0.000 0.804 125 E CB -0.919 28.758 29.700 -0.038 0.000 0.741 125 E HN 0.687 9.047 8.360 -0.000 0.000 0.458 126 H N -0.481 118.482 119.070 -0.179 0.000 2.363 126 H HA 0.181 4.737 4.556 -0.001 0.000 0.301 126 H C 2.164 177.365 175.328 -0.212 0.000 1.074 126 H CA 1.355 57.269 56.048 -0.223 0.000 1.354 126 H CB -0.097 29.440 29.762 -0.374 0.000 1.397 126 H HN 0.314 8.594 8.280 -0.000 0.000 0.516 127 L N 0.308 121.430 121.223 -0.167 0.000 2.131 127 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 127 L C 2.818 179.607 176.870 -0.134 0.000 1.092 127 L CA 1.528 56.291 54.840 -0.128 0.000 0.759 127 L CB -0.598 41.423 42.059 -0.064 0.000 0.903 127 L HN 0.464 8.694 8.230 -0.000 0.000 0.435 128 K N -0.137 120.190 120.400 -0.122 0.000 2.442 128 K HA -0.154 4.165 4.320 -0.001 0.000 0.198 128 K C 1.875 178.401 176.600 -0.123 0.000 1.044 128 K CA 1.723 57.952 56.287 -0.097 0.000 0.948 128 K CB -1.295 31.163 32.500 -0.069 0.000 0.762 128 K HN 0.616 8.866 8.250 -0.000 0.000 0.472 129 T N -2.600 111.831 114.554 -0.204 0.000 2.990 129 T HA 0.257 4.607 4.350 -0.001 0.000 0.249 129 T C 0.751 175.326 174.700 -0.208 0.000 1.039 129 T CA 0.034 62.011 62.100 -0.206 0.000 1.036 129 T CB -0.252 68.447 68.868 -0.282 0.000 0.994 129 T HN 0.266 8.506 8.240 -0.000 0.000 0.489 130 L N 2.607 123.672 121.223 -0.263 0.000 2.485 130 L HA 0.574 4.914 4.340 -0.001 0.000 0.275 130 L C 0.021 176.777 176.870 -0.190 0.000 1.207 130 L CA 1.045 55.722 54.840 -0.273 0.000 0.855 130 L CB -0.279 41.629 42.059 -0.251 0.000 1.114 130 L HN 0.556 8.786 8.230 -0.000 0.000 0.485 131 E N 3.187 123.272 120.200 -0.192 0.000 2.423 131 E HA 0.310 4.659 4.350 -0.001 0.000 0.280 131 E C -1.645 174.915 176.600 -0.068 0.000 1.030 131 E CA -0.639 55.716 56.400 -0.074 0.000 0.812 131 E CB 0.124 29.840 29.700 0.027 0.000 1.313 131 E HN 0.651 9.011 8.360 -0.000 0.000 0.456 132 W N 1.888 123.177 121.300 -0.019 0.000 2.417 132 W HA 0.402 5.062 4.660 0.000 0.000 0.332 132 W C -1.842 174.694 176.519 0.029 0.000 1.413 132 W CA -0.232 57.113 57.345 0.000 0.000 1.299 132 W CB 0.153 29.610 29.460 -0.004 0.000 1.304 132 W HN 0.433 8.613 8.180 -0.000 0.000 0.565 133 P HA 0.098 4.518 4.420 -0.000 0.000 0.266 133 P C -0.400 177.014 177.300 0.189 0.000 1.195 133 P CA -0.171 63.052 63.100 0.204 0.000 0.768 133 P CB 0.547 32.344 31.700 0.162 0.000 0.838 134 A N 2.869 125.766 122.820 0.128 0.000 2.520 134 A HA 0.483 4.802 4.320 -0.001 0.000 0.245 134 A C 0.928 178.561 177.584 0.080 0.000 1.072 134 A CA 0.759 52.851 52.037 0.091 0.000 0.761 134 A CB -1.204 17.834 19.000 0.062 0.000 1.004 134 A HN 0.904 9.054 8.150 -0.000 0.000 0.499 135 G N 1.961 110.803 108.800 0.069 0.000 2.755 135 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.686 135 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.686 135 G C -0.507 174.434 174.900 0.068 0.000 1.427 135 G CA 0.057 45.191 45.100 0.056 0.000 0.873 135 G HN 1.021 9.311 8.290 -0.000 0.000 0.580 136 E N -0.279 119.961 120.200 0.066 0.000 2.239 136 E HA 0.663 5.013 4.350 -0.001 0.000 0.261 136 E C 0.871 177.507 176.600 0.060 0.000 1.016 136 E CA 0.423 56.873 56.400 0.083 0.000 0.882 136 E CB 1.378 31.144 29.700 0.110 0.000 1.190 136 E HN 2.182 10.542 8.360 -0.000 0.000 0.415 137 G N -0.346 108.478 108.800 0.040 0.000 2.741 137 G HA2 0.111 4.071 3.960 -0.001 0.000 0.222 137 G HA3 0.111 4.071 3.960 -0.001 0.000 0.222 137 G C 0.442 175.200 174.900 -0.237 0.000 1.364 137 G CA -0.156 44.911 45.100 -0.054 0.000 0.866 137 G HN 1.317 9.607 8.290 -0.000 0.000 0.555 138 G N -2.962 105.704 108.800 -0.222 0.000 2.245 138 G HA2 0.146 4.106 3.960 -0.001 0.000 0.130 138 G HA3 0.146 4.106 3.960 -0.001 0.000 0.130 138 G C 0.650 175.403 174.900 -0.245 0.000 1.040 138 G CA 0.490 45.486 45.100 -0.173 0.000 0.713 138 G HN 1.378 9.668 8.290 -0.000 0.000 0.488 139 F N 0.756 120.709 119.950 0.004 0.000 2.234 139 F HA 0.060 4.587 4.527 -0.001 0.000 0.299 139 F C 2.824 178.614 175.800 -0.018 0.000 1.087 139 F CA 2.221 60.211 58.000 -0.016 0.000 1.340 139 F CB -0.708 38.275 39.000 -0.030 0.000 1.031 139 F HN 0.366 8.666 8.300 -0.000 0.000 0.500 140 D N 1.384 121.890 120.400 0.178 0.000 2.303 140 D HA -0.308 4.331 4.640 -0.001 0.000 0.190 140 D C 2.041 178.370 176.300 0.047 0.000 1.011 140 D CA 2.619 56.669 54.000 0.084 0.000 0.860 140 D CB -1.071 39.762 40.800 0.055 0.000 0.961 140 D HN 0.525 8.895 8.370 -0.000 0.000 0.453 141 R N -0.335 120.174 120.500 0.016 0.000 2.200 141 R HA 0.510 4.850 4.340 -0.001 0.000 0.208 141 R C 2.749 179.037 176.300 -0.020 0.000 1.033 141 R CA 1.038 57.132 56.100 -0.011 0.000 1.000 141 R CB -0.083 30.198 30.300 -0.032 0.000 0.906 141 R HN 0.422 8.692 8.270 -0.000 0.000 0.462 142 A N 2.242 125.049 122.820 -0.021 0.000 1.877 142 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 142 A C 2.566 180.160 177.584 0.016 0.000 1.186 142 A CA 1.622 53.650 52.037 -0.015 0.000 0.620 142 A CB -0.816 18.177 19.000 -0.012 0.000 0.822 142 A HN 0.450 8.600 8.150 -0.000 0.000 0.443 143 A N -0.113 122.736 122.820 0.048 0.000 1.917 143 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 143 A C 2.258 179.852 177.584 0.017 0.000 1.182 143 A CA 1.739 53.798 52.037 0.037 0.000 0.633 143 A CB -0.501 18.527 19.000 0.046 0.000 0.819 143 A HN 0.577 8.727 8.150 -0.000 0.000 0.448 144 R N -0.862 119.644 120.500 0.011 0.000 2.115 144 R HA 0.034 4.373 4.340 -0.001 0.000 0.226 144 R C 2.359 178.657 176.300 -0.003 0.000 1.100 144 R CA 1.014 57.115 56.100 0.003 0.000 0.980 144 R CB -0.349 29.951 30.300 0.001 0.000 0.875 144 R HN 0.513 8.783 8.270 -0.000 0.000 0.445 145 A N 1.623 124.437 122.820 -0.010 0.000 2.016 145 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 145 A C 2.131 179.707 177.584 -0.014 0.000 1.162 145 A CA 0.817 52.843 52.037 -0.019 0.000 0.662 145 A CB -0.369 18.608 19.000 -0.038 0.000 0.812 145 A HN 0.409 8.559 8.150 -0.000 0.000 0.450 146 I N -3.265 117.299 120.570 -0.010 0.000 2.716 146 I HA 0.103 4.272 4.170 -0.001 0.000 0.259 146 I C 0.879 176.999 176.117 0.005 0.000 1.172 146 I CA -0.066 61.231 61.300 -0.004 0.000 1.478 146 I CB -0.429 37.569 38.000 -0.004 0.000 1.104 146 I HN 0.086 8.296 8.210 -0.000 0.000 0.439 147 M N 2.339 121.942 119.600 0.005 0.000 2.247 147 M HA 0.050 4.530 4.480 -0.001 0.000 0.318 147 M C 1.190 177.496 176.300 0.010 0.000 1.054 147 M CA 1.181 56.485 55.300 0.007 0.000 1.117 147 M CB 0.140 32.743 32.600 0.005 0.000 1.515 147 M HN 0.491 8.781 8.290 -0.000 0.000 0.442 148 T N -3.230 111.331 114.554 0.011 0.000 3.364 148 T HA 0.057 4.407 4.350 -0.001 0.000 0.179 148 T C 1.315 176.021 174.700 0.010 0.000 0.939 148 T CA 0.416 62.524 62.100 0.013 0.000 1.094 148 T CB -0.376 68.503 68.868 0.018 0.000 1.532 148 T HN 0.732 8.972 8.240 -0.000 0.000 0.346 149 T N 0.729 115.288 114.554 0.009 0.000 3.169 149 T HA 0.236 4.586 4.350 -0.001 0.000 0.250 149 T C -0.290 174.412 174.700 0.004 0.000 1.111 149 T CA -0.283 61.821 62.100 0.006 0.000 1.010 149 T CB -1.281 67.590 68.868 0.005 0.000 0.984 149 T HN 0.461 8.701 8.240 -0.000 0.000 0.537 150 D N 2.313 122.716 120.400 0.004 0.000 2.449 150 D HA 0.185 4.824 4.640 -0.001 0.000 0.236 150 D C 1.419 177.720 176.300 0.002 0.000 1.149 150 D CA 0.851 54.852 54.000 0.003 0.000 0.878 150 D CB 0.860 41.662 40.800 0.003 0.000 1.198 150 D HN 0.404 8.774 8.370 -0.000 0.000 0.446 151 T N -2.687 111.868 114.554 0.001 0.000 3.001 151 T HA 0.355 4.705 4.350 -0.001 0.000 0.251 151 T C 0.749 175.450 174.700 0.001 0.000 1.040 151 T CA -0.100 62.001 62.100 0.001 0.000 0.985 151 T CB 0.093 68.961 68.868 0.000 0.000 1.011 151 T HN 0.522 8.762 8.240 -0.000 0.000 0.509 152 R N 1.770 122.270 120.500 0.001 0.000 2.651 152 R HA 0.811 5.150 4.340 -0.001 0.000 0.278 152 R C -3.436 172.865 176.300 0.002 0.000 1.010 152 R CA -2.061 54.039 56.100 0.001 0.000 0.896 152 R CB -0.106 30.194 30.300 -0.000 0.000 1.211 152 R HN 0.286 8.556 8.270 -0.000 0.000 0.456 153 P HA 0.265 4.685 4.420 -0.000 0.000 0.272 153 P C -1.262 176.039 177.300 0.002 0.000 1.223 153 P CA -0.131 62.973 63.100 0.005 0.000 0.784 153 P CB 0.817 32.523 31.700 0.010 0.000 0.923 154 K N 1.532 121.932 120.400 0.001 0.000 2.463 154 K HA 0.514 4.834 4.320 -0.001 0.000 0.255 154 K C -0.424 176.170 176.600 -0.011 0.000 0.942 154 K CA -0.557 55.726 56.287 -0.007 0.000 0.814 154 K CB 2.415 34.908 32.500 -0.011 0.000 1.122 154 K HN 0.473 8.723 8.250 -0.000 0.000 0.425 155 E N 2.213 122.403 120.200 -0.017 0.000 2.390 155 E HA 0.581 4.931 4.350 -0.001 0.000 0.277 155 E C -2.045 174.526 176.600 -0.047 0.000 0.939 155 E CA -1.005 55.377 56.400 -0.030 0.000 0.769 155 E CB 2.647 32.344 29.700 -0.005 0.000 1.251 155 E HN 0.270 8.630 8.360 -0.000 0.000 0.450 156 V N 0.915 120.781 119.914 -0.081 0.000 3.098 156 V HA 0.908 5.028 4.120 -0.001 0.000 0.294 156 V C -1.950 174.074 176.094 -0.117 0.000 1.351 156 V CA 0.216 62.468 62.300 -0.081 0.000 0.999 156 V CB 1.818 33.596 31.823 -0.075 0.000 1.104 156 V HN 0.909 9.099 8.190 -0.000 0.000 0.438 157 R N 3.907 124.349 120.500 -0.097 0.000 2.508 157 R HA 0.829 5.169 4.340 -0.001 0.000 0.283 157 R C -1.908 174.346 176.300 -0.077 0.000 1.120 157 R CA 0.142 56.175 56.100 -0.111 0.000 0.958 157 R CB 1.408 31.651 30.300 -0.094 0.000 1.215 157 R HN 1.505 9.775 8.270 -0.000 0.000 0.427 158 V N 0.989 120.856 119.914 -0.078 0.000 2.588 158 V HA 0.882 5.001 4.120 -0.001 0.000 0.304 158 V C 0.734 176.802 176.094 -0.043 0.000 1.042 158 V CA -0.591 61.678 62.300 -0.053 0.000 0.877 158 V CB 1.662 33.454 31.823 -0.052 0.000 0.996 158 V HN 1.232 9.422 8.190 -0.000 0.000 0.425 159 S N 3.207 118.891 115.700 -0.027 0.000 2.489 159 S HA 0.756 5.226 4.470 -0.001 0.000 0.277 159 S C -0.304 174.288 174.600 -0.014 0.000 1.230 159 S CA -0.506 57.685 58.200 -0.016 0.000 1.053 159 S CB 0.734 63.929 63.200 -0.008 0.000 0.955 159 S HN 0.936 9.246 8.310 -0.000 0.000 0.488 160 V N 0.777 120.686 119.914 -0.009 0.000 2.569 160 V HA 0.770 4.890 4.120 -0.001 0.000 0.301 160 V C 0.870 176.963 176.094 -0.000 0.000 1.044 160 V CA -0.252 62.044 62.300 -0.007 0.000 0.874 160 V CB 0.424 32.241 31.823 -0.010 0.000 1.002 160 V HN 1.811 10.001 8.190 -0.000 0.000 0.424 161 G N 2.541 111.341 108.800 0.000 0.000 2.390 161 G HA2 0.103 4.063 3.960 -0.001 0.000 0.299 161 G HA3 0.103 4.063 3.960 -0.001 0.000 0.299 161 G C 1.340 176.245 174.900 0.007 0.000 1.002 161 G CA 1.233 46.335 45.100 0.004 0.000 0.979 161 G HN 2.623 10.913 8.290 -0.000 0.000 0.513 162 G N -2.289 106.516 108.800 0.008 0.000 2.241 162 G HA2 0.176 4.136 3.960 -0.001 0.000 0.244 162 G HA3 0.176 4.136 3.960 -0.001 0.000 0.244 162 G C 0.757 175.668 174.900 0.018 0.000 0.998 162 G CA 1.239 46.346 45.100 0.012 0.000 0.621 162 G HN 2.284 10.574 8.290 -0.000 0.000 0.519 163 A N -0.483 122.348 122.820 0.018 0.000 2.288 163 A HA 0.917 5.237 4.320 -0.001 0.000 0.328 163 A C 0.184 177.779 177.584 0.017 0.000 1.123 163 A CA 0.682 52.735 52.037 0.027 0.000 0.861 163 A CB 1.248 20.266 19.000 0.030 0.000 1.272 163 A HN 0.845 8.995 8.150 -0.000 0.000 0.490 164 T N 0.501 115.069 114.554 0.023 0.000 2.887 164 T HA 0.567 4.916 4.350 -0.001 0.000 0.288 164 T C -1.108 173.570 174.700 -0.036 0.000 1.021 164 T CA -0.296 61.800 62.100 -0.006 0.000 1.000 164 T CB 1.359 70.230 68.868 0.005 0.000 1.034 164 T HN 0.671 8.911 8.240 -0.000 0.000 0.467 165 L N 2.935 124.109 121.223 -0.082 0.000 2.356 165 L HA 0.779 5.119 4.340 -0.001 0.000 0.277 165 L C -1.354 175.384 176.870 -0.220 0.000 0.996 165 L CA -0.549 54.208 54.840 -0.139 0.000 0.822 165 L CB 1.473 43.471 42.059 -0.102 0.000 1.256 165 L HN 0.506 8.736 8.230 -0.000 0.000 0.413 166 V N 4.042 123.738 119.914 -0.364 0.000 2.555 166 V HA 0.887 5.007 4.120 -0.001 0.000 0.302 166 V C 0.429 176.271 176.094 -0.420 0.000 1.038 166 V CA -0.289 61.722 62.300 -0.481 0.000 0.887 166 V CB 1.550 32.799 31.823 -0.957 0.000 0.991 166 V HN 0.908 9.098 8.190 -0.000 0.000 0.434 167 G N 3.911 112.536 108.800 -0.292 0.000 2.482 167 G HA2 0.819 4.779 3.960 -0.001 0.000 0.317 167 G HA3 0.819 4.779 3.960 -0.001 0.000 0.317 167 G C -0.975 173.829 174.900 -0.160 0.000 1.241 167 G CA -0.643 44.332 45.100 -0.208 0.000 0.967 167 G HN 0.914 9.204 8.290 -0.000 0.000 0.482 168 I N -0.830 119.680 120.570 -0.100 0.000 2.689 168 I HA 0.950 5.120 4.170 -0.001 0.000 0.299 168 I C -0.320 175.778 176.117 -0.031 0.000 1.059 168 I CA -1.296 59.980 61.300 -0.039 0.000 1.055 168 I CB 2.455 40.470 38.000 0.024 0.000 1.243 168 I HN 0.731 8.941 8.210 -0.000 0.000 0.425 169 A N 4.331 127.139 122.820 -0.021 0.000 2.566 169 A HA 0.909 5.229 4.320 -0.001 0.000 0.292 169 A C -1.310 176.269 177.584 -0.008 0.000 1.112 169 A CA -0.584 51.442 52.037 -0.019 0.000 0.707 169 A CB 2.128 21.112 19.000 -0.026 0.000 1.302 169 A HN 0.884 9.034 8.150 -0.000 0.000 0.409 170 K N 0.195 120.592 120.400 -0.006 0.000 2.575 170 K HA 0.688 5.008 4.320 -0.001 0.000 0.279 170 K C -0.805 175.795 176.600 0.000 0.000 0.969 170 K CA 0.321 56.608 56.287 -0.001 0.000 0.868 170 K CB 1.368 33.870 32.500 0.004 0.000 1.457 170 K HN 2.640 10.890 8.250 -0.000 0.000 0.426 171 G N 0.590 109.391 108.800 0.002 0.000 2.944 171 G HA2 0.167 4.127 3.960 -0.001 0.000 0.471 171 G HA3 0.167 4.127 3.960 -0.001 0.000 0.471 171 G C -0.442 174.458 174.900 0.001 0.000 1.388 171 G CA -0.232 44.870 45.100 0.004 0.000 1.087 171 G HN 1.302 9.592 8.290 -0.000 0.000 0.596 172 V N -0.236 119.679 119.914 0.002 0.000 3.199 172 V HA 0.827 4.947 4.120 -0.001 0.000 0.331 172 V C 0.775 176.869 176.094 -0.000 0.000 1.446 172 V CA 0.634 62.934 62.300 -0.000 0.000 1.120 172 V CB 0.473 32.295 31.823 -0.001 0.000 1.051 172 V HN 2.220 10.410 8.190 -0.000 0.000 0.495 173 G N -0.975 107.825 108.800 0.001 0.000 2.632 173 G HA2 0.490 4.450 3.960 -0.001 0.000 0.292 173 G HA3 0.490 4.450 3.960 -0.001 0.000 0.292 173 G C -0.401 174.500 174.900 0.002 0.000 1.465 173 G CA -0.395 44.705 45.100 0.000 0.000 0.824 173 G HN 0.684 8.974 8.290 -0.000 0.000 0.509 174 M N -0.292 119.307 119.600 -0.000 0.000 2.212 174 M HA -0.168 4.311 4.480 -0.001 0.000 0.193 174 M C -1.301 175.002 176.300 0.004 0.000 0.493 174 M CA 0.481 55.782 55.300 0.000 0.000 0.427 174 M CB -0.807 31.795 32.600 0.002 0.000 1.120 174 M HN 0.508 8.798 8.290 -0.000 0.000 0.929 175 L N 1.548 122.772 121.223 0.002 0.000 2.485 175 L HA 0.482 4.821 4.340 -0.001 0.000 0.260 175 L C -0.411 176.460 176.870 0.001 0.000 0.998 175 L CA 0.042 54.884 54.840 0.003 0.000 0.883 175 L CB 1.327 43.386 42.059 0.001 0.000 1.196 175 L HN 0.368 8.598 8.230 -0.000 0.000 0.443 176 E N 4.793 124.995 120.200 0.003 0.000 2.908 176 E HA 0.379 4.729 4.350 -0.001 0.000 0.291 176 E C -2.449 174.155 176.600 0.005 0.000 1.154 176 E CA -1.293 55.108 56.400 0.002 0.000 0.784 176 E CB 0.814 30.515 29.700 0.002 0.000 1.500 176 E HN 0.321 8.681 8.360 -0.000 0.000 0.382 177 P HA 0.180 4.600 4.420 -0.000 0.000 0.266 177 P C -0.808 176.495 177.300 0.006 0.000 1.195 177 P CA 0.017 63.120 63.100 0.006 0.000 0.768 177 P CB 0.633 32.331 31.700 -0.003 0.000 0.838 178 D N 1.564 121.972 120.400 0.014 0.000 2.846 178 D HA 0.271 4.911 4.640 -0.001 0.000 0.279 178 D C -0.894 175.420 176.300 0.023 0.000 1.222 178 D CA -0.170 53.839 54.000 0.015 0.000 0.769 178 D CB -0.262 40.549 40.800 0.019 0.000 1.299 178 D HN 0.138 8.508 8.370 -0.000 0.000 0.537 179 M N 1.319 120.926 119.600 0.011 0.000 2.409 179 M HA 0.805 5.285 4.480 -0.001 0.000 0.329 179 M C -0.123 176.186 176.300 0.014 0.000 1.180 179 M CA -0.356 54.955 55.300 0.018 0.000 1.053 179 M CB 2.017 34.601 32.600 -0.027 0.000 1.586 179 M HN 0.305 8.595 8.290 -0.000 0.000 0.461 180 A N 0.000 122.849 122.820 0.049 0.000 2.254 180 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 180 A CA 0.000 52.065 52.037 0.046 0.000 0.836 180 A CB 0.000 19.026 19.000 0.043 0.000 0.831 180 A HN 0.000 8.150 8.150 -0.000 0.000 0.486