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 2zjs_1_L DATA FIRST_RESID 1 DATA SEQUENCE DIQMTQTTSS LSASLGDRVT IScRASQDIS NYLNWYQQKP DGTVKLLIYY DATA SEQUENCE TSRLHSGVPS RFSGSGSGTD YSLTISNLEQ EDIATYFcQQ GNTLPWTFGG DATA SEQUENCE GTKLEIKRAD AAPTVSIFPP SSEQLTSGGA SVVcFLNNFY PKDINVKWKI DATA SEQUENCE DGSERQNGVL NSWTDQDSKD STYSMSSTLT LTKDEYERHN SYTcEATHKT DATA SEQUENCE STSPIVKSFN RNEC 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.284 176.300 -0.027 0.000 2.045 1 D CA 0.000 53.982 54.000 -0.030 0.000 0.868 1 D CB 0.000 40.774 40.800 -0.044 0.000 0.688 2 I N 0.882 121.428 120.570 -0.039 0.000 2.581 2 I HA 0.158 4.328 4.170 0.001 0.000 0.285 2 I C -0.786 175.315 176.117 -0.026 0.000 1.129 2 I CA 0.693 61.973 61.300 -0.033 0.000 1.397 2 I CB -0.324 37.645 38.000 -0.050 0.000 1.399 2 I HN 0.415 8.625 8.210 -0.000 0.000 0.537 3 Q N 6.144 125.939 119.800 -0.007 0.000 2.391 3 Q HA 0.577 4.917 4.340 0.001 0.000 0.279 3 Q C -1.606 174.405 176.000 0.018 0.000 1.028 3 Q CA -0.884 54.920 55.803 0.002 0.000 0.836 3 Q CB 1.751 30.493 28.738 0.006 0.000 1.414 3 Q HN 0.546 8.816 8.270 -0.000 0.000 0.397 4 M N 1.335 120.950 119.600 0.026 0.000 2.404 4 M HA 0.651 5.131 4.480 0.001 0.000 0.338 4 M C -1.170 175.168 176.300 0.064 0.000 1.150 4 M CA 0.017 55.341 55.300 0.039 0.000 1.016 4 M CB 2.463 35.080 32.600 0.027 0.000 1.672 4 M HN 0.823 9.113 8.290 -0.000 0.000 0.448 5 T N 3.796 118.396 114.554 0.075 0.000 2.881 5 T HA 0.507 4.857 4.350 0.001 0.000 0.291 5 T C -0.995 173.775 174.700 0.117 0.000 0.990 5 T CA -0.736 61.417 62.100 0.088 0.000 0.976 5 T CB 1.017 69.928 68.868 0.072 0.000 0.970 5 T HN 0.549 8.789 8.240 -0.000 0.000 0.438 6 Q N 1.688 121.570 119.800 0.136 0.000 2.381 6 Q HA 0.302 4.643 4.340 0.001 0.000 0.263 6 Q C 0.558 176.634 176.000 0.126 0.000 1.030 6 Q CA -0.494 55.409 55.803 0.167 0.000 0.772 6 Q CB 1.212 30.083 28.738 0.221 0.000 1.232 6 Q HN 0.628 8.898 8.270 -0.000 0.000 0.476 7 T N -0.093 114.525 114.554 0.106 0.000 3.035 7 T HA -0.044 4.306 4.350 0.001 0.000 0.268 7 T C 0.623 175.360 174.700 0.062 0.000 1.109 7 T CA 0.844 62.988 62.100 0.073 0.000 1.119 7 T CB 0.052 68.956 68.868 0.059 0.000 0.900 7 T HN 0.479 8.719 8.240 -0.000 0.000 0.503 8 T N 0.910 115.509 114.554 0.074 0.000 2.770 8 T HA 0.418 4.769 4.350 0.001 0.000 0.297 8 T C 1.121 175.861 174.700 0.065 0.000 0.997 8 T CA -0.574 61.560 62.100 0.057 0.000 0.949 8 T CB 1.841 70.740 68.868 0.051 0.000 0.941 8 T HN -0.020 8.220 8.240 -0.000 0.000 0.457 9 S N 2.783 118.510 115.700 0.045 0.000 2.345 9 S HA 0.017 4.487 4.470 0.001 0.000 0.219 9 S C 1.173 175.794 174.600 0.035 0.000 1.031 9 S CA 0.702 58.928 58.200 0.042 0.000 0.984 9 S CB 0.032 63.242 63.200 0.016 0.000 0.874 9 S HN 0.647 8.957 8.310 -0.000 0.000 0.451 10 S N -0.165 115.545 115.700 0.017 0.000 2.578 10 S HA 0.750 5.220 4.470 0.001 0.000 0.301 10 S C -1.424 173.196 174.600 0.034 0.000 1.091 10 S CA -0.711 57.502 58.200 0.022 0.000 1.032 10 S CB 1.330 64.523 63.200 -0.012 0.000 1.064 10 S HN 0.334 8.644 8.310 -0.000 0.000 0.508 11 L N 2.516 123.771 121.223 0.053 0.000 2.513 11 L HA 0.590 4.931 4.340 0.001 0.000 0.261 11 L C -1.337 175.576 176.870 0.073 0.000 0.945 11 L CA 0.073 54.944 54.840 0.051 0.000 0.848 11 L CB 2.256 44.338 42.059 0.038 0.000 1.334 11 L HN 0.642 8.872 8.230 -0.000 0.000 0.407 12 S N 3.243 118.989 115.700 0.075 0.000 2.707 12 S HA 0.952 5.422 4.470 0.001 0.000 0.312 12 S C -0.791 173.854 174.600 0.075 0.000 1.116 12 S CA -0.363 57.902 58.200 0.109 0.000 1.078 12 S CB 1.483 64.786 63.200 0.172 0.000 0.997 12 S HN 0.858 9.168 8.310 -0.000 0.000 0.477 13 A N 2.454 125.308 122.820 0.057 0.000 2.459 13 A HA 0.784 5.105 4.320 0.001 0.000 0.296 13 A C 0.031 177.628 177.584 0.021 0.000 1.039 13 A CA -0.866 51.188 52.037 0.027 0.000 0.698 13 A CB 1.059 20.059 19.000 -0.000 0.000 1.261 13 A HN 0.700 8.850 8.150 -0.000 0.000 0.405 14 S N 1.523 117.228 115.700 0.008 0.000 2.600 14 S HA 0.520 4.990 4.470 0.001 0.000 0.265 14 S C 0.403 174.995 174.600 -0.012 0.000 1.325 14 S CA -0.612 57.586 58.200 -0.003 0.000 1.002 14 S CB 0.089 63.279 63.200 -0.017 0.000 0.921 14 S HN 0.630 8.940 8.310 -0.000 0.000 0.554 15 L N 1.540 122.754 121.223 -0.015 0.000 2.543 15 L HA 0.301 4.641 4.340 0.001 0.000 0.285 15 L C 1.591 178.443 176.870 -0.030 0.000 1.236 15 L CA 1.014 55.843 54.840 -0.020 0.000 0.871 15 L CB -0.570 41.478 42.059 -0.018 0.000 1.121 15 L HN 1.153 9.383 8.230 -0.000 0.000 0.501 16 G N 1.104 109.880 108.800 -0.040 0.000 2.153 16 G HA2 -0.232 3.729 3.960 0.001 0.000 0.252 16 G HA3 -0.232 3.729 3.960 0.001 0.000 0.252 16 G C 0.060 174.928 174.900 -0.053 0.000 0.994 16 G CA 0.040 45.110 45.100 -0.050 0.000 0.698 16 G HN 0.640 8.930 8.290 -0.000 0.000 0.521 17 D N -0.731 119.638 120.400 -0.052 0.000 2.451 17 D HA 0.445 5.085 4.640 0.001 0.000 0.259 17 D C 0.751 177.008 176.300 -0.073 0.000 1.201 17 D CA -0.509 53.460 54.000 -0.052 0.000 1.028 17 D CB 0.455 41.232 40.800 -0.038 0.000 1.095 17 D HN 0.161 8.531 8.370 -0.000 0.000 0.539 18 R N 0.724 121.183 120.500 -0.068 0.000 2.198 18 R HA 0.383 4.723 4.340 0.001 0.000 0.339 18 R C -1.277 174.972 176.300 -0.085 0.000 1.020 18 R CA -0.425 55.624 56.100 -0.085 0.000 0.864 18 R CB 0.291 30.547 30.300 -0.072 0.000 1.105 18 R HN 0.121 8.391 8.270 -0.000 0.000 0.463 19 V N 3.398 123.243 119.914 -0.115 0.000 2.513 19 V HA 0.421 4.542 4.120 0.001 0.000 0.299 19 V C -0.096 175.903 176.094 -0.159 0.000 1.035 19 V CA -0.540 61.687 62.300 -0.122 0.000 0.889 19 V CB 2.099 33.842 31.823 -0.133 0.000 0.988 19 V HN 0.745 8.935 8.190 -0.000 0.000 0.440 20 T N 5.650 120.121 114.554 -0.139 0.000 2.949 20 T HA 0.611 4.962 4.350 0.001 0.000 0.300 20 T C -0.561 174.053 174.700 -0.142 0.000 0.988 20 T CA -0.139 61.868 62.100 -0.154 0.000 0.993 20 T CB 0.855 69.663 68.868 -0.100 0.000 0.984 20 T HN 0.388 8.628 8.240 -0.000 0.000 0.442 21 I N 2.067 122.501 120.570 -0.227 0.000 2.354 21 I HA 0.453 4.623 4.170 0.001 0.000 0.292 21 I C 0.637 176.736 176.117 -0.030 0.000 0.989 21 I CA -0.455 60.757 61.300 -0.147 0.000 1.188 21 I CB 1.745 39.598 38.000 -0.245 0.000 1.342 21 I HN 0.449 8.659 8.210 -0.000 0.000 0.457 22 S N 4.075 119.856 115.700 0.135 0.000 2.672 22 S HA 0.599 5.070 4.470 0.001 0.000 0.276 22 S C -0.863 173.994 174.600 0.428 0.000 1.207 22 S CA -0.426 57.920 58.200 0.243 0.000 1.002 22 S CB 1.494 64.780 63.200 0.143 0.000 0.998 22 S HN 0.756 9.066 8.310 -0.000 0.000 0.542 23 c N 2.187 121.030 118.600 0.406 0.000 2.985 23 c HA 0.831 5.402 4.570 0.001 0.000 0.314 23 c C -1.235 172.991 174.090 0.226 0.000 1.215 23 c CA -0.665 55.847 56.329 0.306 0.000 1.414 23 c CB 1.376 44.021 42.510 0.225 0.000 1.842 23 c HN 1.066 9.296 8.230 -0.000 0.000 0.477 24 R N 3.525 124.119 120.500 0.158 0.000 2.548 24 R HA 0.752 5.092 4.340 0.001 0.000 0.280 24 R C -1.025 175.339 176.300 0.107 0.000 1.061 24 R CA -0.049 56.127 56.100 0.127 0.000 0.915 24 R CB 1.517 31.867 30.300 0.083 0.000 1.210 24 R HN 1.085 9.355 8.270 -0.000 0.000 0.442 25 A N 1.918 124.810 122.820 0.120 0.000 2.295 25 A HA 0.362 4.682 4.320 0.001 0.000 0.318 25 A C 0.869 178.490 177.584 0.061 0.000 1.134 25 A CA -0.165 51.925 52.037 0.087 0.000 0.827 25 A CB 1.269 20.336 19.000 0.111 0.000 1.136 25 A HN 0.998 9.148 8.150 -0.000 0.000 0.493 26 S N 0.662 116.387 115.700 0.041 0.000 2.461 26 S HA 0.020 4.490 4.470 0.001 0.000 0.228 26 S C 0.662 175.279 174.600 0.027 0.000 1.005 26 S CA 0.898 59.115 58.200 0.029 0.000 0.942 26 S CB -0.166 63.045 63.200 0.019 0.000 0.776 26 S HN 0.743 9.053 8.310 -0.000 0.000 0.514 27 Q N 0.246 120.066 119.800 0.034 0.000 2.587 27 Q HA 0.404 4.745 4.340 0.001 0.000 0.293 27 Q C -1.772 174.262 176.000 0.057 0.000 1.083 27 Q CA -0.894 54.929 55.803 0.034 0.000 0.792 27 Q CB 1.259 30.010 28.738 0.022 0.000 1.484 27 Q HN 0.274 8.544 8.270 -0.000 0.000 0.446 28 D N 1.074 121.508 120.400 0.057 0.000 2.348 28 D HA 0.145 4.785 4.640 0.001 0.000 0.259 28 D C -0.681 175.681 176.300 0.103 0.000 1.296 28 D CA -0.020 54.029 54.000 0.081 0.000 0.931 28 D CB 0.076 40.914 40.800 0.064 0.000 1.067 28 D HN 0.253 8.623 8.370 -0.000 0.000 0.503 29 I N 2.881 123.537 120.570 0.143 0.000 2.618 29 I HA -0.021 4.149 4.170 0.001 0.000 0.284 29 I C 0.583 176.806 176.117 0.177 0.000 1.146 29 I CA -0.035 61.351 61.300 0.144 0.000 1.425 29 I CB 0.888 38.948 38.000 0.100 0.000 1.383 29 I HN 0.317 8.527 8.210 -0.000 0.000 0.562 30 S N 6.344 122.158 115.700 0.189 0.000 2.681 30 S HA 0.087 4.557 4.470 0.001 0.000 0.313 30 S C 0.824 175.470 174.600 0.077 0.000 1.137 30 S CA -0.289 58.014 58.200 0.173 0.000 1.045 30 S CB -0.274 63.057 63.200 0.218 0.000 1.208 30 S HN 0.741 9.051 8.310 -0.000 0.000 0.523 31 N N 0.979 119.676 118.700 -0.004 0.000 2.886 31 N HA -0.253 4.488 4.740 0.001 0.000 0.229 31 N C -0.542 174.578 175.510 -0.650 0.000 0.847 31 N CA 1.732 54.589 53.050 -0.322 0.000 1.132 31 N CB -1.321 36.893 38.487 -0.456 0.000 1.018 31 N HN 0.694 9.074 8.380 -0.000 0.000 0.624 32 Y N 0.870 120.974 120.300 -0.325 0.000 2.518 32 Y HA 0.291 4.842 4.550 0.000 0.000 0.337 32 Y C 0.763 176.496 175.900 -0.279 0.000 1.261 32 Y CA 0.030 57.986 58.100 -0.239 0.000 1.856 32 Y CB -0.170 38.292 38.460 0.002 0.000 1.798 32 Y HN 0.172 8.452 8.280 -0.000 0.000 0.440 33 L N 2.781 123.797 121.223 -0.344 0.000 2.385 33 L HA 0.539 4.879 4.340 0.001 0.000 0.273 33 L C -1.178 175.520 176.870 -0.287 0.000 0.990 33 L CA -0.507 54.098 54.840 -0.391 0.000 0.821 33 L CB 1.517 43.120 42.059 -0.760 0.000 1.279 33 L HN 0.397 8.627 8.230 -0.000 0.000 0.412 34 N N 2.999 121.552 118.700 -0.245 0.000 2.483 34 N HA 0.617 5.358 4.740 0.001 0.000 0.285 34 N C -1.848 173.435 175.510 -0.379 0.000 1.210 34 N CA -0.618 52.320 53.050 -0.186 0.000 0.931 34 N CB 1.166 39.598 38.487 -0.093 0.000 1.220 34 N HN 0.432 8.812 8.380 -0.000 0.000 0.542 35 W N 0.262 121.447 121.300 -0.192 0.000 2.915 35 W HA 0.475 5.135 4.660 0.000 0.000 0.337 35 W C -1.258 175.079 176.519 -0.304 0.000 1.102 35 W CA -0.468 56.838 57.345 -0.066 0.000 1.224 35 W CB 1.096 30.558 29.460 0.004 0.000 1.416 35 W HN 0.362 8.542 8.180 -0.000 0.000 0.503 36 Y N 1.246 121.837 120.300 0.485 0.000 2.477 36 Y HA 0.368 4.918 4.550 0.001 0.000 0.347 36 Y C -0.148 175.875 175.900 0.206 0.000 0.981 36 Y CA -1.246 57.043 58.100 0.315 0.000 1.033 36 Y CB 2.371 41.032 38.460 0.335 0.000 1.245 36 Y HN 0.238 8.518 8.280 -0.000 0.000 0.455 37 Q N 2.736 122.636 119.800 0.166 0.000 2.316 37 Q HA 0.346 4.687 4.340 0.001 0.000 0.264 37 Q C -1.467 174.484 176.000 -0.082 0.000 0.987 37 Q CA -0.847 54.849 55.803 -0.178 0.000 0.852 37 Q CB 1.938 30.517 28.738 -0.264 0.000 1.287 37 Q HN 0.797 9.067 8.270 -0.000 0.000 0.448 38 Q N 4.060 123.750 119.800 -0.183 0.000 2.394 38 Q HA 0.289 4.629 4.340 0.001 0.000 0.261 38 Q C -1.197 174.737 176.000 -0.110 0.000 1.023 38 Q CA -0.419 55.355 55.803 -0.050 0.000 0.720 38 Q CB 1.127 29.938 28.738 0.121 0.000 1.241 38 Q HN 0.479 8.749 8.270 -0.000 0.000 0.483 39 K N 3.466 123.822 120.400 -0.074 0.000 2.319 39 K HA 0.089 4.410 4.320 0.001 0.000 0.265 39 K C -1.834 174.752 176.600 -0.023 0.000 1.000 39 K CA -1.466 54.788 56.287 -0.054 0.000 0.943 39 K CB 0.656 33.140 32.500 -0.027 0.000 0.950 39 K HN 0.402 8.652 8.250 -0.000 0.000 0.485 40 P HA -0.132 4.288 4.420 -0.000 0.000 0.234 40 P C 0.136 177.444 177.300 0.012 0.000 1.167 40 P CA 0.951 64.055 63.100 0.007 0.000 0.763 40 P CB 0.076 31.785 31.700 0.015 0.000 0.835 41 D N -1.668 118.736 120.400 0.007 0.000 2.340 41 D HA 0.048 4.688 4.640 0.001 0.000 0.220 41 D C 1.460 177.764 176.300 0.008 0.000 1.039 41 D CA 0.716 54.721 54.000 0.008 0.000 0.866 41 D CB -0.383 40.420 40.800 0.006 0.000 0.913 41 D HN 0.227 8.597 8.370 -0.000 0.000 0.523 42 G N 0.679 109.484 108.800 0.008 0.000 2.313 42 G HA2 -0.278 3.683 3.960 0.001 0.000 0.215 42 G HA3 -0.278 3.683 3.960 0.001 0.000 0.215 42 G C 0.604 175.507 174.900 0.005 0.000 1.023 42 G CA 0.210 45.315 45.100 0.008 0.000 0.626 42 G HN 0.705 8.995 8.290 -0.000 0.000 0.503 43 T N -0.238 114.318 114.554 0.003 0.000 2.939 43 T HA 0.451 4.801 4.350 0.001 0.000 0.319 43 T C 0.060 174.765 174.700 0.009 0.000 1.082 43 T CA 0.468 62.570 62.100 0.004 0.000 1.133 43 T CB 2.091 70.961 68.868 0.004 0.000 1.019 43 T HN 1.146 9.386 8.240 -0.000 0.000 0.548 44 V N 3.122 123.047 119.914 0.018 0.000 2.577 44 V HA 0.576 4.696 4.120 0.001 0.000 0.303 44 V C -0.191 175.945 176.094 0.070 0.000 1.042 44 V CA -0.974 61.354 62.300 0.046 0.000 0.872 44 V CB 1.848 33.689 31.823 0.031 0.000 0.998 44 V HN 0.952 9.142 8.190 -0.000 0.000 0.423 45 K N 3.330 123.785 120.400 0.092 0.000 2.422 45 K HA 0.665 4.986 4.320 0.001 0.000 0.251 45 K C -1.166 175.521 176.600 0.145 0.000 0.933 45 K CA -0.945 55.396 56.287 0.090 0.000 0.798 45 K CB 2.817 35.329 32.500 0.021 0.000 1.238 45 K HN 0.524 8.774 8.250 -0.000 0.000 0.428 46 L N 3.448 124.747 121.223 0.127 0.000 2.380 46 L HA 0.192 4.533 4.340 0.001 0.000 0.273 46 L C -0.051 176.777 176.870 -0.071 0.000 1.138 46 L CA 0.415 55.241 54.840 -0.023 0.000 0.832 46 L CB 0.301 42.350 42.059 -0.016 0.000 1.124 46 L HN 0.753 8.983 8.230 -0.000 0.000 0.454 47 L N 4.500 125.645 121.223 -0.131 0.000 2.416 47 L HA 0.340 4.680 4.340 0.001 0.000 0.188 47 L C 0.120 176.968 176.870 -0.037 0.000 1.145 47 L CA 0.131 54.877 54.840 -0.158 0.000 0.826 47 L CB 0.030 41.939 42.059 -0.250 0.000 1.064 47 L HN 0.490 8.720 8.230 -0.000 0.000 0.490 48 I N -1.668 118.924 120.570 0.037 0.000 2.646 48 I HA 0.166 4.337 4.170 0.001 0.000 0.299 48 I C 0.035 176.227 176.117 0.124 0.000 1.036 48 I CA -0.691 60.687 61.300 0.130 0.000 1.074 48 I CB 1.954 40.071 38.000 0.194 0.000 1.258 48 I HN 0.142 8.352 8.210 -0.000 0.000 0.430 49 Y N 3.494 123.843 120.300 0.081 0.000 2.673 49 Y HA 0.322 4.872 4.550 0.000 0.000 0.278 49 Y C 0.160 176.115 175.900 0.092 0.000 1.127 49 Y CA -0.251 57.873 58.100 0.040 0.000 1.261 49 Y CB -0.208 38.274 38.460 0.037 0.000 1.412 49 Y HN 0.405 8.685 8.280 -0.000 0.000 0.496 50 Y N 3.757 123.899 120.300 -0.264 0.000 2.341 50 Y HA 0.348 4.898 4.550 0.001 0.000 0.340 50 Y C 0.744 176.561 175.900 -0.137 0.000 0.997 50 Y CA -0.607 57.411 58.100 -0.137 0.000 1.149 50 Y CB 0.767 39.117 38.460 -0.183 0.000 1.171 50 Y HN 0.410 8.690 8.280 -0.000 0.000 0.494 51 T N 3.075 117.294 114.554 -0.560 0.000 3.728 51 T HA -0.298 4.053 4.350 0.001 0.000 0.355 51 T C 0.752 175.430 174.700 -0.037 0.000 0.760 51 T CA 1.324 63.192 62.100 -0.388 0.000 1.841 51 T CB -2.299 66.321 68.868 -0.413 0.000 1.853 51 T HN 1.429 9.669 8.240 -0.000 0.000 0.743 52 S N -2.032 113.704 115.700 0.060 0.000 3.358 52 S HA -0.358 4.112 4.470 0.001 0.000 0.309 52 S C 1.411 176.086 174.600 0.125 0.000 1.247 52 S CA 1.535 59.866 58.200 0.218 0.000 0.961 52 S CB -1.213 62.215 63.200 0.381 0.000 1.074 52 S HN 0.854 9.164 8.310 -0.000 0.000 0.625 53 R N 0.542 121.066 120.500 0.041 0.000 2.055 53 R HA 0.336 4.677 4.340 0.001 0.000 0.221 53 R C 0.952 177.176 176.300 -0.126 0.000 1.154 53 R CA 0.761 56.861 56.100 -0.000 0.000 0.975 53 R CB -0.220 30.087 30.300 0.011 0.000 0.869 53 R HN 0.503 8.773 8.270 -0.000 0.000 0.437 54 L N 3.777 124.836 121.223 -0.274 0.000 2.260 54 L HA 0.213 4.553 4.340 0.001 0.000 0.289 54 L C -0.319 176.354 176.870 -0.329 0.000 1.057 54 L CA -0.590 53.948 54.840 -0.504 0.000 0.811 54 L CB 0.688 42.235 42.059 -0.854 0.000 1.184 54 L HN 0.104 8.334 8.230 -0.000 0.000 0.429 55 H N 1.424 120.432 119.070 -0.105 0.000 2.505 55 H HA 0.257 4.813 4.556 0.001 0.000 0.351 55 H C 0.234 175.636 175.328 0.123 0.000 1.151 55 H CA -1.175 54.885 56.048 0.019 0.000 1.339 55 H CB 1.364 31.157 29.762 0.052 0.000 1.483 55 H HN 0.494 8.774 8.280 -0.000 0.000 0.558 56 S N 0.135 116.009 115.700 0.290 0.000 2.516 56 S HA 0.417 4.888 4.470 0.001 0.000 0.268 56 S C 0.871 175.558 174.600 0.144 0.000 1.251 56 S CA -0.338 58.001 58.200 0.231 0.000 1.153 56 S CB 0.008 63.339 63.200 0.218 0.000 1.009 56 S HN 1.050 9.360 8.310 -0.000 0.000 0.479 57 G N 1.569 110.450 108.800 0.135 0.000 2.323 57 G HA2 -0.182 3.779 3.960 0.001 0.000 0.292 57 G HA3 -0.182 3.779 3.960 0.001 0.000 0.292 57 G C -0.147 174.813 174.900 0.100 0.000 1.040 57 G CA 0.363 45.525 45.100 0.103 0.000 0.942 57 G HN 1.207 9.497 8.290 -0.000 0.000 0.506 58 V N 0.232 120.224 119.914 0.131 0.000 2.823 58 V HA 0.674 4.795 4.120 0.001 0.000 0.312 58 V C -1.716 174.483 176.094 0.176 0.000 1.072 58 V CA -1.878 60.487 62.300 0.110 0.000 0.937 58 V CB 1.996 33.821 31.823 0.004 0.000 1.013 58 V HN 0.209 8.399 8.190 -0.000 0.000 0.430 59 P HA 0.006 4.426 4.420 -0.000 0.000 0.267 59 P C 0.719 178.119 177.300 0.167 0.000 1.175 59 P CA 0.503 63.730 63.100 0.212 0.000 0.763 59 P CB 0.449 32.310 31.700 0.268 0.000 0.795 60 S N 2.245 117.986 115.700 0.069 0.000 2.383 60 S HA -0.171 4.300 4.470 0.001 0.000 0.227 60 S C 1.628 176.190 174.600 -0.063 0.000 1.026 60 S CA 1.257 59.492 58.200 0.059 0.000 0.981 60 S CB -0.451 62.777 63.200 0.046 0.000 0.818 60 S HN 0.588 8.898 8.310 -0.000 0.000 0.472 61 R N 0.852 121.221 120.500 -0.217 0.000 2.226 61 R HA -0.092 4.249 4.340 0.001 0.000 0.246 61 R C -0.197 175.813 176.300 -0.484 0.000 1.161 61 R CA 0.840 56.711 56.100 -0.382 0.000 0.997 61 R CB -0.900 29.085 30.300 -0.525 0.000 0.870 61 R HN 0.312 8.582 8.270 -0.000 0.000 0.465 62 F N 1.822 121.644 119.950 -0.213 0.000 2.396 62 F HA 0.291 4.818 4.527 0.000 0.000 0.343 62 F C 0.744 176.337 175.800 -0.345 0.000 1.104 62 F CA -0.330 57.484 58.000 -0.309 0.000 1.161 62 F CB 1.385 40.169 39.000 -0.359 0.000 1.146 62 F HN 0.087 8.387 8.300 -0.000 0.000 0.522 63 S N 1.197 116.880 115.700 -0.029 0.000 2.615 63 S HA 0.967 5.438 4.470 0.001 0.000 0.269 63 S C -0.762 173.840 174.600 0.003 0.000 1.161 63 S CA -0.577 57.670 58.200 0.079 0.000 0.817 63 S CB 1.814 65.050 63.200 0.060 0.000 1.131 63 S HN 1.101 9.411 8.310 -0.000 0.000 0.467 64 G N -0.326 108.508 108.800 0.057 0.000 2.576 64 G HA2 0.777 4.737 3.960 0.001 0.000 0.290 64 G HA3 0.777 4.737 3.960 0.001 0.000 0.290 64 G C -0.740 174.213 174.900 0.089 0.000 1.442 64 G CA 0.013 45.133 45.100 0.033 0.000 0.792 64 G HN 1.864 10.153 8.290 -0.000 0.000 0.491 65 S N -1.739 114.039 115.700 0.130 0.000 3.407 65 S HA 0.917 5.388 4.470 0.001 0.000 0.315 65 S C 0.467 175.186 174.600 0.197 0.000 1.211 65 S CA 0.462 58.740 58.200 0.130 0.000 1.148 65 S CB 0.855 64.091 63.200 0.060 0.000 1.511 65 S HN 2.848 11.158 8.310 -0.000 0.000 0.604 66 G N 0.216 109.059 108.800 0.071 0.000 2.758 66 G HA2 0.390 4.351 3.960 0.001 0.000 0.686 66 G HA3 0.390 4.351 3.960 0.001 0.000 0.686 66 G C -0.306 174.515 174.900 -0.133 0.000 1.389 66 G CA 0.226 45.272 45.100 -0.090 0.000 0.845 66 G HN 2.262 10.552 8.290 -0.000 0.000 0.572 67 S N -0.208 115.271 115.700 -0.369 0.000 2.570 67 S HA 0.972 5.442 4.470 0.001 0.000 0.270 67 S C 1.139 175.541 174.600 -0.331 0.000 1.149 67 S CA 0.693 58.765 58.200 -0.212 0.000 0.837 67 S CB 1.558 64.749 63.200 -0.015 0.000 1.124 67 S HN 3.074 11.384 8.310 -0.000 0.000 0.465 68 G N 1.298 110.073 108.800 -0.042 0.000 5.353 68 G HA2 -0.305 3.655 3.960 0.001 0.000 0.283 68 G HA3 -0.305 3.655 3.960 0.001 0.000 0.283 68 G C 0.800 175.721 174.900 0.035 0.000 1.457 68 G CA 1.070 46.169 45.100 -0.001 0.000 0.951 68 G HN 1.530 9.820 8.290 -0.000 0.000 0.731 69 T N 0.680 115.145 114.554 -0.148 0.000 3.168 69 T HA 0.308 4.658 4.350 0.001 0.000 0.261 69 T C -0.451 174.193 174.700 -0.094 0.000 0.931 69 T CA 0.925 63.013 62.100 -0.019 0.000 0.949 69 T CB 0.405 69.270 68.868 -0.005 0.000 1.229 69 T HN 0.517 8.757 8.240 -0.000 0.000 0.504 70 D N 0.565 120.756 120.400 -0.348 0.000 2.192 70 D HA 0.601 5.241 4.640 0.001 0.000 0.246 70 D C -1.174 174.800 176.300 -0.543 0.000 1.042 70 D CA -0.312 53.544 54.000 -0.241 0.000 0.847 70 D CB 1.280 42.006 40.800 -0.123 0.000 1.186 70 D HN 0.255 8.625 8.370 -0.000 0.000 0.461 71 Y N -0.200 120.178 120.300 0.131 0.000 2.644 71 Y HA 0.652 5.202 4.550 0.001 0.000 0.338 71 Y C -0.251 175.838 175.900 0.315 0.000 1.119 71 Y CA -1.034 57.185 58.100 0.197 0.000 1.060 71 Y CB 2.305 40.889 38.460 0.207 0.000 1.294 71 Y HN 0.404 8.684 8.280 -0.000 0.000 0.472 72 S N 1.089 117.065 115.700 0.460 0.000 2.543 72 S HA 0.639 5.109 4.470 0.001 0.000 0.271 72 S C -2.074 172.448 174.600 -0.130 0.000 1.148 72 S CA -0.768 57.543 58.200 0.186 0.000 0.914 72 S CB 1.633 64.865 63.200 0.054 0.000 1.096 72 S HN 0.717 9.027 8.310 -0.000 0.000 0.471 73 L N 2.053 122.841 121.223 -0.725 0.000 2.309 73 L HA 0.867 5.208 4.340 0.001 0.000 0.282 73 L C -0.749 175.816 176.870 -0.507 0.000 1.036 73 L CA 0.346 54.652 54.840 -0.890 0.000 0.806 73 L CB 1.765 42.795 42.059 -1.715 0.000 1.220 73 L HN 0.897 9.127 8.230 -0.000 0.000 0.429 74 T N 6.122 120.484 114.554 -0.320 0.000 2.840 74 T HA 0.553 4.903 4.350 0.001 0.000 0.287 74 T C -0.205 174.367 174.700 -0.213 0.000 0.991 74 T CA -0.153 61.808 62.100 -0.232 0.000 0.964 74 T CB 0.807 69.585 68.868 -0.150 0.000 0.954 74 T HN 0.469 8.709 8.240 -0.000 0.000 0.438 75 I N 3.047 123.470 120.570 -0.246 0.000 2.315 75 I HA 0.184 4.354 4.170 0.001 0.000 0.291 75 I C 1.679 177.647 176.117 -0.248 0.000 1.006 75 I CA -0.448 60.666 61.300 -0.310 0.000 1.265 75 I CB 1.612 39.423 38.000 -0.315 0.000 1.387 75 I HN 0.796 9.006 8.210 -0.000 0.000 0.475 76 S N 4.473 120.021 115.700 -0.253 0.000 2.348 76 S HA -0.096 4.374 4.470 0.001 0.000 0.219 76 S C 0.838 175.342 174.600 -0.160 0.000 1.033 76 S CA 0.417 58.513 58.200 -0.174 0.000 0.974 76 S CB -0.078 63.034 63.200 -0.147 0.000 0.868 76 S HN 0.769 9.079 8.310 -0.000 0.000 0.459 77 N N 0.695 119.278 118.700 -0.195 0.000 2.569 77 N HA 0.308 5.048 4.740 0.001 0.000 0.254 77 N C -1.174 174.234 175.510 -0.170 0.000 1.004 77 N CA -0.435 52.523 53.050 -0.153 0.000 0.904 77 N CB 1.134 39.546 38.487 -0.126 0.000 1.165 77 N HN 0.381 8.761 8.380 -0.000 0.000 0.513 78 L N 2.386 123.532 121.223 -0.127 0.000 2.439 78 L HA 0.281 4.622 4.340 0.001 0.000 0.269 78 L C -0.013 176.821 176.870 -0.061 0.000 1.179 78 L CA 0.379 55.161 54.840 -0.097 0.000 0.828 78 L CB 0.643 42.666 42.059 -0.060 0.000 1.106 78 L HN 0.587 8.817 8.230 -0.000 0.000 0.467 79 E N 0.965 121.148 120.200 -0.028 0.000 2.445 79 E HA 0.151 4.502 4.350 0.001 0.000 0.273 79 E C -0.648 175.967 176.600 0.026 0.000 0.961 79 E CA -0.800 55.597 56.400 -0.004 0.000 0.807 79 E CB 1.441 31.138 29.700 -0.005 0.000 1.362 79 E HN 0.535 8.895 8.360 -0.000 0.000 0.453 80 Q N 0.789 120.602 119.800 0.021 0.000 2.488 80 Q HA -0.122 4.218 4.340 0.001 0.000 0.211 80 Q C 0.910 176.935 176.000 0.041 0.000 0.967 80 Q CA 1.024 56.843 55.803 0.027 0.000 0.926 80 Q CB 0.249 28.994 28.738 0.013 0.000 0.992 80 Q HN 0.560 8.830 8.270 -0.000 0.000 0.506 81 E N -1.290 118.942 120.200 0.052 0.000 2.489 81 E HA -0.046 4.305 4.350 0.001 0.000 0.193 81 E C 0.521 177.189 176.600 0.113 0.000 1.057 81 E CA 0.374 56.815 56.400 0.068 0.000 0.866 81 E CB 0.289 30.029 29.700 0.067 0.000 0.916 81 E HN 0.081 8.441 8.360 -0.000 0.000 0.500 82 D N 0.957 121.438 120.400 0.135 0.000 2.338 82 D HA 0.043 4.683 4.640 0.001 0.000 0.208 82 D C 0.754 177.182 176.300 0.212 0.000 0.997 82 D CA -0.033 54.106 54.000 0.232 0.000 0.880 82 D CB 0.204 41.133 40.800 0.215 0.000 0.980 82 D HN 0.267 8.637 8.370 -0.000 0.000 0.509 83 I N 1.457 122.103 120.570 0.126 0.000 2.996 83 I HA 0.079 4.249 4.170 0.001 0.000 0.285 83 I C -0.281 175.873 176.117 0.061 0.000 1.173 83 I CA 0.103 61.464 61.300 0.103 0.000 1.396 83 I CB -0.522 37.517 38.000 0.065 0.000 1.470 83 I HN -0.092 8.118 8.210 -0.000 0.000 0.586 84 A N 4.597 127.451 122.820 0.057 0.000 2.511 84 A HA 0.615 4.935 4.320 0.001 0.000 0.293 84 A C -0.467 177.010 177.584 -0.178 0.000 1.098 84 A CA -0.637 51.336 52.037 -0.108 0.000 0.643 84 A CB 1.026 19.875 19.000 -0.252 0.000 1.302 84 A HN 0.445 8.595 8.150 -0.000 0.000 0.446 85 T N 0.694 115.063 114.554 -0.308 0.000 2.909 85 T HA 0.594 4.944 4.350 0.001 0.000 0.289 85 T C -1.250 173.037 174.700 -0.689 0.000 1.005 85 T CA 0.510 62.383 62.100 -0.379 0.000 1.084 85 T CB 0.237 68.861 68.868 -0.406 0.000 0.975 85 T HN 0.349 8.589 8.240 -0.000 0.000 0.509 86 Y N 1.085 121.155 120.300 -0.383 0.000 2.361 86 Y HA 0.540 5.090 4.550 0.001 0.000 0.337 86 Y C -0.532 175.295 175.900 -0.122 0.000 0.965 86 Y CA -1.147 56.852 58.100 -0.168 0.000 1.091 86 Y CB 1.220 39.704 38.460 0.040 0.000 1.182 86 Y HN 0.573 8.853 8.280 -0.000 0.000 0.450 87 F N 2.665 122.924 119.950 0.515 0.000 2.480 87 F HA 0.613 5.140 4.527 0.001 0.000 0.329 87 F C 0.096 176.097 175.800 0.335 0.000 1.091 87 F CA -1.059 57.178 58.000 0.395 0.000 0.972 87 F CB 1.249 40.413 39.000 0.273 0.000 1.150 87 F HN 0.512 8.812 8.300 -0.000 0.000 0.467 88 c N 1.915 120.604 118.600 0.148 0.000 2.435 88 c HA 0.793 5.363 4.570 0.001 0.000 0.333 88 c C -0.767 173.281 174.090 -0.071 0.000 1.202 88 c CA -0.578 55.477 56.329 -0.457 0.000 1.830 88 c CB 1.445 43.227 42.510 -1.212 0.000 2.326 88 c HN 0.893 9.123 8.230 -0.000 0.000 0.507 89 Q N 1.941 121.645 119.800 -0.160 0.000 2.271 89 Q HA 0.401 4.741 4.340 0.001 0.000 0.268 89 Q C -1.336 174.536 176.000 -0.213 0.000 1.021 89 Q CA -0.058 55.607 55.803 -0.229 0.000 0.802 89 Q CB 2.156 30.729 28.738 -0.275 0.000 1.282 89 Q HN 0.973 9.243 8.270 -0.000 0.000 0.431 90 Q N 1.244 120.939 119.800 -0.175 0.000 2.314 90 Q HA 0.537 4.877 4.340 0.001 0.000 0.258 90 Q C 0.404 176.450 176.000 0.078 0.000 0.954 90 Q CA 0.162 55.923 55.803 -0.070 0.000 0.890 90 Q CB 1.038 29.756 28.738 -0.033 0.000 1.210 90 Q HN 0.691 8.961 8.270 -0.000 0.000 0.410 91 G N 2.163 111.039 108.800 0.127 0.000 3.690 91 G HA2 -0.029 3.931 3.960 0.001 0.000 0.283 91 G HA3 -0.029 3.931 3.960 0.001 0.000 0.283 91 G C 0.418 175.570 174.900 0.420 0.000 1.057 91 G CA -0.260 44.972 45.100 0.221 0.000 0.821 91 G HN 0.820 9.110 8.290 -0.000 0.000 0.526 92 N N 0.150 119.016 118.700 0.276 0.000 2.250 92 N HA -0.026 4.714 4.740 0.001 0.000 0.181 92 N C -0.109 175.397 175.510 -0.007 0.000 1.017 92 N CA 1.084 54.188 53.050 0.090 0.000 0.866 92 N CB 0.427 38.963 38.487 0.081 0.000 0.985 92 N HN 0.227 8.607 8.380 -0.000 0.000 0.429 93 T N -0.398 114.080 114.554 -0.127 0.000 2.775 93 T HA 0.281 4.631 4.350 0.001 0.000 0.320 93 T C -0.824 173.284 174.700 -0.986 0.000 1.597 93 T CA -0.775 61.039 62.100 -0.477 0.000 1.022 93 T CB 1.525 70.231 68.868 -0.271 0.000 1.485 93 T HN -0.062 8.178 8.240 -0.000 0.000 0.494 94 L N 2.460 123.065 121.223 -1.030 0.000 2.456 94 L HA 0.383 4.724 4.340 0.001 0.000 0.272 94 L C -1.704 174.877 176.870 -0.482 0.000 1.189 94 L CA -1.503 52.789 54.840 -0.913 0.000 0.846 94 L CB -0.272 41.409 42.059 -0.630 0.000 1.111 94 L HN 0.445 8.675 8.230 -0.000 0.000 0.475 95 P HA 0.083 4.503 4.420 -0.000 0.000 0.279 95 P C -1.211 175.857 177.300 -0.387 0.000 1.239 95 P CA -0.548 62.312 63.100 -0.400 0.000 0.789 95 P CB 0.397 31.985 31.700 -0.186 0.000 0.933 96 W N 1.766 122.993 121.300 -0.122 0.000 2.210 96 W HA 0.326 4.986 4.660 0.001 0.000 0.330 96 W C 0.712 177.053 176.519 -0.296 0.000 1.334 96 W CA 0.016 57.226 57.345 -0.226 0.000 1.227 96 W CB 0.172 29.490 29.460 -0.236 0.000 1.178 96 W HN 0.309 8.489 8.180 -0.000 0.000 0.560 97 T N 0.146 114.584 114.554 -0.194 0.000 2.912 97 T HA 0.700 5.051 4.350 0.001 0.000 0.299 97 T C -1.022 173.428 174.700 -0.418 0.000 1.052 97 T CA -1.059 60.912 62.100 -0.214 0.000 0.996 97 T CB 1.233 70.055 68.868 -0.077 0.000 1.070 97 T HN 0.144 8.384 8.240 -0.000 0.000 0.465 98 F N 0.444 120.379 119.950 -0.026 0.000 2.523 98 F HA 0.750 5.277 4.527 0.001 0.000 0.329 98 F C 1.190 176.990 175.800 0.000 0.000 1.061 98 F CA -0.761 57.212 58.000 -0.044 0.000 0.967 98 F CB 1.450 40.352 39.000 -0.164 0.000 1.218 98 F HN 0.981 9.281 8.300 -0.000 0.000 0.480 99 G N -0.225 108.725 108.800 0.249 0.000 2.562 99 G HA2 0.397 4.357 3.960 0.001 0.000 0.275 99 G HA3 0.397 4.357 3.960 0.001 0.000 0.275 99 G C 0.932 176.014 174.900 0.304 0.000 1.196 99 G CA -0.311 44.923 45.100 0.224 0.000 0.908 99 G HN 0.933 9.223 8.290 -0.000 0.000 0.524 100 G N -1.245 107.706 108.800 0.251 0.000 2.559 100 G HA2 0.439 4.399 3.960 0.001 0.000 0.216 100 G HA3 0.439 4.399 3.960 0.001 0.000 0.216 100 G C 1.056 176.200 174.900 0.406 0.000 1.126 100 G CA 1.013 46.271 45.100 0.263 0.000 0.778 100 G HN 1.995 10.285 8.290 -0.000 0.000 0.543 101 G N -1.991 107.061 108.800 0.420 0.000 2.707 101 G HA2 0.140 4.101 3.960 0.001 0.000 0.686 101 G HA3 0.140 4.101 3.960 0.001 0.000 0.686 101 G C -0.547 174.409 174.900 0.094 0.000 1.315 101 G CA -0.326 44.882 45.100 0.179 0.000 0.832 101 G HN 0.720 9.010 8.290 -0.000 0.000 0.573 102 T N 1.235 115.805 114.554 0.027 0.000 2.985 102 T HA 0.451 4.802 4.350 0.001 0.000 0.315 102 T C 0.079 174.820 174.700 0.068 0.000 1.001 102 T CA -0.604 61.545 62.100 0.081 0.000 1.016 102 T CB 1.396 70.344 68.868 0.132 0.000 0.993 102 T HN 0.678 8.918 8.240 -0.000 0.000 0.454 103 K N 4.714 125.139 120.400 0.042 0.000 2.310 103 K HA 0.350 4.670 4.320 0.001 0.000 0.290 103 K C -0.106 176.550 176.600 0.094 0.000 1.077 103 K CA -0.497 55.821 56.287 0.050 0.000 0.922 103 K CB 0.386 32.909 32.500 0.039 0.000 1.057 103 K HN 0.565 8.815 8.250 -0.000 0.000 0.479 104 L N 3.815 125.116 121.223 0.130 0.000 2.453 104 L HA 0.113 4.453 4.340 0.001 0.000 0.272 104 L C 0.512 177.461 176.870 0.131 0.000 1.182 104 L CA 0.364 55.285 54.840 0.134 0.000 0.858 104 L CB 0.505 42.667 42.059 0.171 0.000 1.120 104 L HN 0.715 8.945 8.230 -0.000 0.000 0.474 105 E N 3.693 123.977 120.200 0.140 0.000 2.266 105 E HA 0.340 4.690 4.350 0.001 0.000 0.268 105 E C -1.042 175.657 176.600 0.166 0.000 0.879 105 E CA -0.946 55.566 56.400 0.187 0.000 0.762 105 E CB 1.801 31.654 29.700 0.255 0.000 1.199 105 E HN 0.334 8.694 8.360 -0.000 0.000 0.422 106 I N 3.402 124.062 120.570 0.150 0.000 2.517 106 I HA 0.085 4.255 4.170 0.001 0.000 0.285 106 I C 0.585 176.782 176.117 0.134 0.000 1.106 106 I CA -0.220 61.137 61.300 0.096 0.000 1.402 106 I CB 0.106 38.123 38.000 0.029 0.000 1.399 106 I HN 0.549 8.759 8.210 -0.000 0.000 0.535 107 K N 7.650 128.100 120.400 0.083 0.000 2.436 107 K HA 0.207 4.528 4.320 0.001 0.000 0.275 107 K C -0.175 176.304 176.600 -0.203 0.000 0.999 107 K CA 0.317 56.627 56.287 0.039 0.000 0.980 107 K CB 0.577 33.102 32.500 0.040 0.000 0.919 107 K HN 0.695 8.945 8.250 -0.000 0.000 0.484 108 R N 2.078 122.260 120.500 -0.530 0.000 2.664 108 R HA 0.432 4.772 4.340 0.001 0.000 0.266 108 R C -1.456 174.483 176.300 -0.601 0.000 1.046 108 R CA -0.534 55.164 56.100 -0.669 0.000 0.885 108 R CB 1.185 30.941 30.300 -0.908 0.000 1.254 108 R HN 0.749 9.019 8.270 -0.000 0.000 0.465 109 A N 2.863 125.508 122.820 -0.291 0.000 2.548 109 A HA 0.138 4.458 4.320 0.001 0.000 0.247 109 A C -0.300 177.251 177.584 -0.054 0.000 1.067 109 A CA 0.193 52.158 52.037 -0.120 0.000 0.757 109 A CB -0.086 18.877 19.000 -0.062 0.000 0.996 109 A HN 0.650 8.800 8.150 -0.000 0.000 0.504 110 D N 0.460 120.927 120.400 0.112 0.000 2.341 110 D HA 0.447 5.088 4.640 0.001 0.000 0.235 110 D C 0.311 176.749 176.300 0.230 0.000 1.265 110 D CA 1.677 55.857 54.000 0.299 0.000 0.888 110 D CB 0.552 41.530 40.800 0.298 0.000 1.192 110 D HN 0.910 9.280 8.370 -0.000 0.000 0.462 111 A N -0.315 122.680 122.820 0.293 0.000 2.577 111 A HA 0.658 4.978 4.320 0.001 0.000 0.297 111 A C -1.026 176.628 177.584 0.117 0.000 1.060 111 A CA -0.468 51.674 52.037 0.175 0.000 0.697 111 A CB 1.234 20.314 19.000 0.134 0.000 1.281 111 A HN 0.552 8.702 8.150 -0.000 0.000 0.402 112 A N 2.466 125.335 122.820 0.082 0.000 2.340 112 A HA 0.799 5.119 4.320 0.001 0.000 0.268 112 A C -2.554 175.058 177.584 0.046 0.000 1.100 112 A CA -1.409 50.647 52.037 0.031 0.000 0.803 112 A CB -0.315 18.720 19.000 0.059 0.000 1.043 112 A HN 0.518 8.668 8.150 -0.000 0.000 0.488 113 P HA 0.273 4.693 4.420 -0.000 0.000 0.278 113 P C -0.447 176.915 177.300 0.103 0.000 1.238 113 P CA -0.087 63.105 63.100 0.154 0.000 0.794 113 P CB 0.539 32.343 31.700 0.173 0.000 0.955 114 T N 1.546 116.169 114.554 0.115 0.000 2.987 114 T HA 0.200 4.550 4.350 0.001 0.000 0.288 114 T C 0.397 175.167 174.700 0.117 0.000 0.981 114 T CA -0.352 61.802 62.100 0.090 0.000 1.031 114 T CB -0.652 68.261 68.868 0.074 0.000 0.976 114 T HN 0.066 8.306 8.240 -0.000 0.000 0.612 115 V N 3.820 123.783 119.914 0.082 0.000 2.637 115 V HA 0.329 4.449 4.120 0.001 0.000 0.296 115 V C 0.435 176.568 176.094 0.065 0.000 1.046 115 V CA -0.162 62.180 62.300 0.071 0.000 1.066 115 V CB 0.733 32.560 31.823 0.006 0.000 0.968 115 V HN 0.931 9.121 8.190 -0.000 0.000 0.483 116 S N 5.312 121.075 115.700 0.105 0.000 2.575 116 S HA 0.670 5.140 4.470 0.001 0.000 0.278 116 S C -0.705 173.839 174.600 -0.094 0.000 1.139 116 S CA -0.499 57.708 58.200 0.012 0.000 0.954 116 S CB 1.946 65.292 63.200 0.243 0.000 1.054 116 S HN 0.655 8.965 8.310 -0.000 0.000 0.483 117 I N 2.414 122.773 120.570 -0.353 0.000 2.441 117 I HA 0.693 4.864 4.170 0.001 0.000 0.295 117 I C -1.915 173.817 176.117 -0.642 0.000 0.994 117 I CA -1.074 60.068 61.300 -0.263 0.000 1.144 117 I CB 0.864 38.846 38.000 -0.029 0.000 1.314 117 I HN 0.623 8.833 8.210 -0.000 0.000 0.445 118 F N 7.448 127.325 119.950 -0.121 0.000 2.499 118 F HA 0.531 5.059 4.527 0.001 0.000 0.333 118 F C -2.301 173.261 175.800 -0.397 0.000 1.138 118 F CA -2.133 55.733 58.000 -0.224 0.000 0.945 118 F CB 1.275 40.216 39.000 -0.098 0.000 1.181 118 F HN 0.271 8.571 8.300 -0.000 0.000 0.435 119 P HA 0.248 4.668 4.420 -0.000 0.000 0.274 119 P C -2.596 174.545 177.300 -0.264 0.000 1.237 119 P CA -1.431 61.295 63.100 -0.623 0.000 0.793 119 P CB 0.052 31.324 31.700 -0.713 0.000 0.977 120 P HA 0.044 4.464 4.420 -0.000 0.000 0.268 120 P C -0.176 177.025 177.300 -0.165 0.000 1.204 120 P CA 0.049 62.973 63.100 -0.292 0.000 0.768 120 P CB 0.055 31.431 31.700 -0.540 0.000 0.842 121 S N 1.180 116.810 115.700 -0.116 0.000 2.549 121 S HA 0.068 4.538 4.470 0.001 0.000 0.283 121 S C 1.329 175.897 174.600 -0.054 0.000 1.320 121 S CA -0.255 57.906 58.200 -0.064 0.000 1.058 121 S CB 0.463 63.632 63.200 -0.053 0.000 0.882 121 S HN 0.322 8.632 8.310 -0.000 0.000 0.498 122 S N 2.292 117.979 115.700 -0.020 0.000 2.383 122 S HA -0.158 4.313 4.470 0.001 0.000 0.229 122 S C 1.789 176.383 174.600 -0.010 0.000 1.030 122 S CA 1.702 59.901 58.200 -0.002 0.000 1.002 122 S CB -0.516 62.694 63.200 0.016 0.000 0.829 122 S HN 0.886 9.196 8.310 -0.000 0.000 0.467 123 E N 0.837 121.027 120.200 -0.016 0.000 2.070 123 E HA -0.280 4.070 4.350 0.001 0.000 0.197 123 E C 2.269 178.853 176.600 -0.027 0.000 1.004 123 E CA 1.338 57.727 56.400 -0.018 0.000 0.805 123 E CB -0.239 29.449 29.700 -0.020 0.000 0.744 123 E HN 0.555 8.915 8.360 -0.000 0.000 0.451 124 Q N 0.728 120.502 119.800 -0.043 0.000 2.079 124 Q HA -0.147 4.193 4.340 0.001 0.000 0.200 124 Q C 2.333 178.301 176.000 -0.052 0.000 0.974 124 Q CA 0.835 56.604 55.803 -0.056 0.000 0.840 124 Q CB -0.017 28.670 28.738 -0.085 0.000 0.898 124 Q HN 0.290 8.560 8.270 -0.000 0.000 0.430 125 L N 0.246 121.438 121.223 -0.052 0.000 2.129 125 L HA -0.222 4.118 4.340 0.001 0.000 0.212 125 L C 2.357 179.227 176.870 -0.001 0.000 1.087 125 L CA 1.643 56.467 54.840 -0.027 0.000 0.757 125 L CB -0.504 41.556 42.059 0.003 0.000 0.896 125 L HN 0.311 8.541 8.230 -0.000 0.000 0.434 126 T N -2.074 112.479 114.554 -0.002 0.000 2.821 126 T HA -0.129 4.222 4.350 0.001 0.000 0.267 126 T C 1.900 176.599 174.700 -0.002 0.000 1.046 126 T CA 1.355 63.457 62.100 0.003 0.000 1.139 126 T CB -0.190 68.679 68.868 0.002 0.000 0.871 126 T HN 0.241 8.481 8.240 -0.000 0.000 0.454 127 S N 0.536 116.230 115.700 -0.011 0.000 2.595 127 S HA 0.244 4.714 4.470 0.001 0.000 0.235 127 S C 1.785 176.378 174.600 -0.011 0.000 0.974 127 S CA 0.545 58.737 58.200 -0.014 0.000 0.942 127 S CB -0.667 62.519 63.200 -0.023 0.000 0.766 127 S HN 0.835 9.145 8.310 -0.000 0.000 0.536 128 G N 0.899 109.695 108.800 -0.006 0.000 2.176 128 G HA2 -0.121 3.839 3.960 0.001 0.000 0.252 128 G HA3 -0.121 3.839 3.960 0.001 0.000 0.252 128 G C 0.111 175.007 174.900 -0.006 0.000 1.024 128 G CA -0.056 45.046 45.100 0.003 0.000 0.755 128 G HN 0.872 9.162 8.290 -0.000 0.000 0.507 129 G N -1.551 107.231 108.800 -0.029 0.000 2.563 129 G HA2 0.958 4.918 3.960 0.001 0.000 0.302 129 G HA3 0.958 4.918 3.960 0.001 0.000 0.302 129 G C -0.542 174.296 174.900 -0.103 0.000 1.301 129 G CA -0.109 44.960 45.100 -0.052 0.000 0.965 129 G HN 1.773 10.063 8.290 -0.000 0.000 0.480 130 A N 0.877 123.610 122.820 -0.145 0.000 2.604 130 A HA 0.690 5.010 4.320 0.001 0.000 0.285 130 A C -0.261 177.155 177.584 -0.280 0.000 1.095 130 A CA -0.494 51.366 52.037 -0.295 0.000 0.842 130 A CB 0.781 19.512 19.000 -0.449 0.000 1.385 130 A HN 0.966 9.116 8.150 -0.000 0.000 0.404 131 S N 0.702 116.247 115.700 -0.258 0.000 2.541 131 S HA 0.665 5.135 4.470 0.001 0.000 0.283 131 S C -0.074 174.380 174.600 -0.243 0.000 1.196 131 S CA -0.662 57.402 58.200 -0.226 0.000 1.062 131 S CB 1.730 64.829 63.200 -0.169 0.000 1.009 131 S HN 0.718 9.028 8.310 -0.000 0.000 0.502 132 V N 3.071 122.848 119.914 -0.228 0.000 2.384 132 V HA 0.400 4.520 4.120 0.001 0.000 0.287 132 V C -0.262 175.848 176.094 0.026 0.000 1.020 132 V CA -0.721 61.526 62.300 -0.089 0.000 0.850 132 V CB 1.291 33.110 31.823 -0.007 0.000 0.987 132 V HN 0.730 8.920 8.190 -0.000 0.000 0.436 133 V N 3.443 123.396 119.914 0.066 0.000 2.472 133 V HA 0.443 4.564 4.120 0.001 0.000 0.290 133 V C -0.060 176.086 176.094 0.086 0.000 1.037 133 V CA -0.444 61.843 62.300 -0.023 0.000 0.908 133 V CB 1.708 33.360 31.823 -0.284 0.000 0.985 133 V HN 0.973 9.163 8.190 -0.000 0.000 0.454 134 c N 5.601 124.194 118.600 -0.012 0.000 2.381 134 c HA 0.642 5.213 4.570 0.001 0.000 0.328 134 c C -0.417 173.587 174.090 -0.143 0.000 1.190 134 c CA -0.822 55.491 56.329 -0.028 0.000 1.369 134 c CB -0.372 42.102 42.510 -0.059 0.000 2.029 134 c HN 0.759 8.989 8.230 -0.000 0.000 0.448 135 F N 5.839 125.915 119.950 0.210 0.000 2.404 135 F HA 0.595 5.123 4.527 0.001 0.000 0.345 135 F C 0.386 176.259 175.800 0.122 0.000 1.110 135 F CA -0.549 57.546 58.000 0.159 0.000 1.130 135 F CB 0.916 40.035 39.000 0.198 0.000 1.129 135 F HN 0.247 8.547 8.300 -0.000 0.000 0.500 136 L N 3.982 125.399 121.223 0.322 0.000 2.388 136 L HA 0.400 4.741 4.340 0.001 0.000 0.267 136 L C 0.055 177.171 176.870 0.410 0.000 0.995 136 L CA -0.550 54.451 54.840 0.268 0.000 0.864 136 L CB 0.974 43.117 42.059 0.140 0.000 1.216 136 L HN 0.624 8.854 8.230 -0.000 0.000 0.430 137 N N 1.237 120.118 118.700 0.302 0.000 2.333 137 N HA 0.058 4.798 4.740 0.001 0.000 0.183 137 N C 0.299 175.853 175.510 0.075 0.000 1.030 137 N CA 0.914 54.077 53.050 0.189 0.000 0.867 137 N CB 0.476 39.025 38.487 0.103 0.000 1.027 137 N HN 0.537 8.917 8.380 -0.000 0.000 0.435 138 N N 0.788 119.538 118.700 0.083 0.000 2.696 138 N HA 0.124 4.865 4.740 0.001 0.000 0.308 138 N C -0.988 174.523 175.510 0.001 0.000 1.915 138 N CA -0.238 52.793 53.050 -0.032 0.000 0.906 138 N CB 0.287 38.767 38.487 -0.012 0.000 1.284 138 N HN 0.125 8.505 8.380 -0.000 0.000 0.488 139 F N -1.267 118.693 119.950 0.015 0.000 2.371 139 F HA 0.409 4.937 4.527 0.001 0.000 0.329 139 F C 1.394 177.296 175.800 0.170 0.000 1.107 139 F CA -0.980 56.961 58.000 -0.099 0.000 1.137 139 F CB 0.629 39.337 39.000 -0.487 0.000 1.214 139 F HN 0.018 8.318 8.300 -0.000 0.000 0.536 140 Y N 1.678 122.156 120.300 0.296 0.000 2.304 140 Y HA 0.344 4.895 4.550 0.001 0.000 0.265 140 Y C -1.792 174.452 175.900 0.573 0.000 1.074 140 Y CA -0.310 58.008 58.100 0.363 0.000 1.102 140 Y CB -0.719 37.885 38.460 0.240 0.000 1.037 140 Y HN 0.335 8.615 8.280 -0.000 0.000 0.484 141 P HA -0.081 4.339 4.420 -0.000 0.000 0.256 141 P C -0.393 176.945 177.300 0.064 0.000 1.173 141 P CA 0.925 63.861 63.100 -0.274 0.000 0.768 141 P CB 0.397 31.999 31.700 -0.164 0.000 0.758 142 K N 3.107 123.357 120.400 -0.251 0.000 2.211 142 K HA -0.125 4.196 4.320 0.001 0.000 0.204 142 K C -0.070 176.559 176.600 0.048 0.000 1.047 142 K CA 1.126 57.221 56.287 -0.321 0.000 0.935 142 K CB -0.350 31.514 32.500 -1.060 0.000 0.728 142 K HN 0.413 8.663 8.250 -0.000 0.000 0.452 143 D N 2.001 122.366 120.400 -0.057 0.000 2.338 143 D HA 0.168 4.808 4.640 0.001 0.000 0.255 143 D C -0.235 176.029 176.300 -0.059 0.000 1.237 143 D CA 0.120 54.080 54.000 -0.068 0.000 0.883 143 D CB 1.134 41.863 40.800 -0.118 0.000 1.087 143 D HN 0.245 8.615 8.370 -0.000 0.000 0.485 144 I N 1.482 122.014 120.570 -0.063 0.000 3.042 144 I HA 0.309 4.479 4.170 0.001 0.000 0.310 144 I C -1.543 174.552 176.117 -0.037 0.000 1.117 144 I CA -0.898 60.323 61.300 -0.131 0.000 1.003 144 I CB 2.393 40.072 38.000 -0.535 0.000 1.228 144 I HN 0.316 8.526 8.210 -0.000 0.000 0.443 145 N N 5.162 123.839 118.700 -0.038 0.000 2.397 145 N HA 0.318 5.058 4.740 0.001 0.000 0.291 145 N C -1.116 174.382 175.510 -0.019 0.000 1.065 145 N CA -0.567 52.492 53.050 0.014 0.000 0.884 145 N CB 1.910 40.417 38.487 0.032 0.000 1.551 145 N HN 0.377 8.757 8.380 -0.000 0.000 0.487 146 V N -0.196 119.714 119.914 -0.006 0.000 3.003 146 V HA 0.524 4.645 4.120 0.001 0.000 0.305 146 V C 0.473 176.546 176.094 -0.036 0.000 1.078 146 V CA -0.405 61.855 62.300 -0.066 0.000 1.083 146 V CB 0.369 32.154 31.823 -0.064 0.000 1.039 146 V HN 0.834 9.024 8.190 -0.000 0.000 0.481 147 K N 1.342 121.668 120.400 -0.124 0.000 2.498 147 K HA 0.474 4.794 4.320 0.001 0.000 0.254 147 K C -2.154 174.349 176.600 -0.161 0.000 0.933 147 K CA -0.621 55.639 56.287 -0.045 0.000 0.806 147 K CB 2.015 34.494 32.500 -0.035 0.000 1.301 147 K HN 0.786 9.036 8.250 -0.000 0.000 0.432 148 W N 3.196 124.505 121.300 0.016 0.000 2.478 148 W HA 0.424 5.084 4.660 0.001 0.000 0.318 148 W C -0.319 176.201 176.519 0.001 0.000 1.062 148 W CA -0.529 56.831 57.345 0.026 0.000 1.210 148 W CB 1.572 31.057 29.460 0.042 0.000 1.325 148 W HN 0.143 8.323 8.180 -0.000 0.000 0.496 149 K N 5.380 125.900 120.400 0.199 0.000 2.521 149 K HA 0.411 4.732 4.320 0.001 0.000 0.248 149 K C -0.773 175.851 176.600 0.041 0.000 0.978 149 K CA -0.638 55.696 56.287 0.078 0.000 0.947 149 K CB 1.317 33.817 32.500 0.000 0.000 1.165 149 K HN 0.399 8.649 8.250 -0.000 0.000 0.445 150 I N 3.112 123.652 120.570 -0.050 0.000 2.325 150 I HA 0.028 4.198 4.170 0.001 0.000 0.291 150 I C -0.120 175.784 176.117 -0.355 0.000 1.019 150 I CA -0.276 60.835 61.300 -0.315 0.000 1.302 150 I CB 0.664 38.377 38.000 -0.479 0.000 1.401 150 I HN 0.585 8.795 8.210 -0.000 0.000 0.485 151 D N 5.633 125.820 120.400 -0.356 0.000 2.697 151 D HA -0.184 4.456 4.640 0.001 0.000 0.235 151 D C 1.096 177.306 176.300 -0.150 0.000 1.167 151 D CA 1.475 55.333 54.000 -0.236 0.000 0.656 151 D CB -1.026 39.645 40.800 -0.214 0.000 1.025 151 D HN 1.143 9.513 8.370 -0.000 0.000 0.419 152 G N -0.091 108.637 108.800 -0.120 0.000 2.249 152 G HA2 -0.202 3.759 3.960 0.001 0.000 0.273 152 G HA3 -0.202 3.759 3.960 0.001 0.000 0.273 152 G C 0.161 175.023 174.900 -0.063 0.000 1.036 152 G CA 1.005 46.059 45.100 -0.076 0.000 0.824 152 G HN 1.414 9.704 8.290 -0.000 0.000 0.504 153 S N -1.471 114.186 115.700 -0.071 0.000 2.566 153 S HA 0.576 5.047 4.470 0.001 0.000 0.273 153 S C -0.479 174.103 174.600 -0.029 0.000 1.157 153 S CA -0.098 58.074 58.200 -0.047 0.000 0.938 153 S CB 2.130 65.300 63.200 -0.050 0.000 1.087 153 S HN 0.840 9.150 8.310 -0.000 0.000 0.474 154 E N 1.898 122.099 120.200 0.001 0.000 2.493 154 E HA 0.068 4.418 4.350 0.001 0.000 0.255 154 E C 0.039 176.666 176.600 0.046 0.000 0.999 154 E CA -0.053 56.370 56.400 0.039 0.000 0.934 154 E CB 0.468 30.191 29.700 0.039 0.000 0.940 154 E HN 0.601 8.961 8.360 -0.000 0.000 0.473 155 R N 3.451 124.006 120.500 0.092 0.000 2.540 155 R HA 0.171 4.511 4.340 0.001 0.000 0.287 155 R C 0.387 176.744 176.300 0.095 0.000 0.980 155 R CA -0.130 56.013 56.100 0.072 0.000 0.966 155 R CB 1.021 31.354 30.300 0.055 0.000 1.106 155 R HN 0.710 8.980 8.270 -0.000 0.000 0.480 156 Q N 0.893 120.723 119.800 0.051 0.000 2.313 156 Q HA 0.217 4.558 4.340 0.001 0.000 0.263 156 Q C -0.551 175.459 176.000 0.016 0.000 0.820 156 Q CA -0.227 55.606 55.803 0.051 0.000 0.974 156 Q CB 0.813 29.581 28.738 0.050 0.000 1.156 156 Q HN 0.577 8.847 8.270 -0.000 0.000 0.517 157 N N 1.006 119.706 118.700 -0.000 0.000 2.408 157 N HA 0.225 4.966 4.740 0.001 0.000 0.257 157 N C 0.373 175.856 175.510 -0.045 0.000 1.064 157 N CA 0.886 53.929 53.050 -0.011 0.000 0.952 157 N CB 1.368 39.855 38.487 0.001 0.000 1.093 157 N HN 0.410 8.790 8.380 -0.000 0.000 0.490 158 G N 0.750 109.519 108.800 -0.052 0.000 2.140 158 G HA2 -0.218 3.742 3.960 0.001 0.000 0.211 158 G HA3 -0.218 3.742 3.960 0.001 0.000 0.211 158 G C -0.465 174.346 174.900 -0.148 0.000 1.013 158 G CA -0.428 44.620 45.100 -0.086 0.000 0.705 158 G HN 0.438 8.728 8.290 -0.000 0.000 0.508 159 V N 1.259 121.104 119.914 -0.115 0.000 2.347 159 V HA 0.701 4.821 4.120 0.001 0.000 0.280 159 V C 0.485 176.554 176.094 -0.041 0.000 1.021 159 V CA -0.558 61.668 62.300 -0.124 0.000 0.847 159 V CB 1.514 33.311 31.823 -0.044 0.000 0.990 159 V HN 0.331 8.521 8.190 -0.000 0.000 0.444 160 L N 5.487 126.675 121.223 -0.058 0.000 2.362 160 L HA 0.691 5.032 4.340 0.001 0.000 0.271 160 L C -0.627 176.189 176.870 -0.089 0.000 1.002 160 L CA -0.559 54.255 54.840 -0.044 0.000 0.818 160 L CB 2.307 44.337 42.059 -0.048 0.000 1.298 160 L HN 0.775 9.005 8.230 -0.000 0.000 0.420 161 N N 0.303 118.896 118.700 -0.178 0.000 2.284 161 N HA 0.720 5.460 4.740 0.001 0.000 0.289 161 N C -1.351 173.697 175.510 -0.769 0.000 1.179 161 N CA -0.889 51.908 53.050 -0.422 0.000 0.774 161 N CB 2.041 40.252 38.487 -0.461 0.000 1.548 161 N HN 0.481 8.861 8.380 -0.000 0.000 0.473 162 S N -0.987 114.264 115.700 -0.749 0.000 2.549 162 S HA 0.681 5.151 4.470 0.001 0.000 0.280 162 S C -1.431 172.887 174.600 -0.471 0.000 1.109 162 S CA -0.966 56.883 58.200 -0.586 0.000 0.905 162 S CB 1.395 64.532 63.200 -0.104 0.000 1.081 162 S HN 0.601 8.911 8.310 -0.000 0.000 0.477 163 W N 1.512 122.895 121.300 0.138 0.000 2.689 163 W HA 0.493 5.154 4.660 0.001 0.000 0.340 163 W C 0.214 176.826 176.519 0.155 0.000 1.060 163 W CA -0.878 56.573 57.345 0.176 0.000 1.218 163 W CB 2.108 31.672 29.460 0.173 0.000 1.410 163 W HN 0.872 9.052 8.180 -0.000 0.000 0.528 164 T N -1.636 113.143 114.554 0.374 0.000 2.902 164 T HA 0.233 4.584 4.350 0.001 0.000 0.280 164 T C 0.038 174.920 174.700 0.303 0.000 0.992 164 T CA -0.688 61.565 62.100 0.255 0.000 1.015 164 T CB 1.713 70.667 68.868 0.142 0.000 1.044 164 T HN 0.217 8.457 8.240 -0.000 0.000 0.520 165 D N 0.778 121.299 120.400 0.201 0.000 2.360 165 D HA 0.052 4.693 4.640 0.001 0.000 0.242 165 D C 0.391 176.707 176.300 0.027 0.000 1.184 165 D CA -0.156 53.956 54.000 0.188 0.000 0.930 165 D CB 0.560 41.425 40.800 0.107 0.000 1.161 165 D HN 0.632 9.002 8.370 -0.000 0.000 0.447 166 Q N 1.162 120.889 119.800 -0.122 0.000 2.320 166 Q HA -0.106 4.235 4.340 0.001 0.000 0.311 166 Q C -0.260 175.575 176.000 -0.276 0.000 1.083 166 Q CA 0.119 55.578 55.803 -0.573 0.000 1.001 166 Q CB 0.440 28.956 28.738 -0.371 0.000 1.074 166 Q HN 0.267 8.537 8.270 -0.000 0.000 0.379 167 D N 1.860 122.084 120.400 -0.293 0.000 2.493 167 D HA -0.068 4.572 4.640 0.001 0.000 0.240 167 D C 0.846 177.071 176.300 -0.125 0.000 1.142 167 D CA 0.548 54.451 54.000 -0.161 0.000 0.872 167 D CB 1.016 41.726 40.800 -0.151 0.000 1.173 167 D HN 0.637 9.007 8.370 -0.000 0.000 0.467 168 S N 4.012 119.665 115.700 -0.078 0.000 2.382 168 S HA -0.173 4.297 4.470 0.001 0.000 0.228 168 S C 1.513 176.080 174.600 -0.054 0.000 1.027 168 S CA 0.807 58.974 58.200 -0.055 0.000 0.991 168 S CB 0.025 63.204 63.200 -0.035 0.000 0.823 168 S HN 0.500 8.810 8.310 -0.000 0.000 0.469 169 K N 2.139 122.504 120.400 -0.057 0.000 1.984 169 K HA -0.025 4.296 4.320 0.001 0.000 0.219 169 K C 0.440 177.003 176.600 -0.062 0.000 1.033 169 K CA 1.340 57.595 56.287 -0.052 0.000 0.983 169 K CB -0.505 31.965 32.500 -0.049 0.000 0.762 169 K HN 0.629 8.879 8.250 -0.000 0.000 0.445 170 D N 0.749 121.107 120.400 -0.071 0.000 2.277 170 D HA -0.007 4.634 4.640 0.001 0.000 0.249 170 D C -0.318 175.918 176.300 -0.108 0.000 1.134 170 D CA -0.286 53.666 54.000 -0.079 0.000 0.863 170 D CB 1.531 42.290 40.800 -0.068 0.000 1.143 170 D HN 0.152 8.522 8.370 -0.000 0.000 0.458 171 S N 1.175 116.809 115.700 -0.110 0.000 3.033 171 S HA 0.082 4.553 4.470 0.001 0.000 0.258 171 S C 0.851 175.370 174.600 -0.135 0.000 1.207 171 S CA -0.630 57.492 58.200 -0.130 0.000 1.248 171 S CB -1.241 61.911 63.200 -0.079 0.000 0.932 171 S HN 0.653 8.963 8.310 -0.000 0.000 0.472 172 T N -1.234 113.212 114.554 -0.179 0.000 2.824 172 T HA 0.605 4.955 4.350 0.001 0.000 0.277 172 T C -0.611 173.768 174.700 -0.535 0.000 0.975 172 T CA -0.609 61.379 62.100 -0.187 0.000 0.966 172 T CB 0.290 69.079 68.868 -0.131 0.000 1.054 172 T HN 0.317 8.557 8.240 -0.000 0.000 0.533 173 Y N -0.745 119.295 120.300 -0.434 0.000 2.499 173 Y HA 0.593 5.144 4.550 0.001 0.000 0.347 173 Y C 0.254 175.605 175.900 -0.914 0.000 0.987 173 Y CA -0.944 56.822 58.100 -0.556 0.000 1.044 173 Y CB 2.539 40.712 38.460 -0.478 0.000 1.245 173 Y HN 0.742 9.022 8.280 -0.000 0.000 0.461 174 S N 3.599 119.184 115.700 -0.191 0.000 2.536 174 S HA 0.714 5.184 4.470 0.001 0.000 0.298 174 S C -1.063 173.714 174.600 0.295 0.000 1.083 174 S CA -0.901 57.314 58.200 0.024 0.000 0.995 174 S CB 1.725 64.949 63.200 0.041 0.000 1.058 174 S HN 0.682 8.992 8.310 -0.000 0.000 0.488 175 M N 2.725 122.577 119.600 0.421 0.000 2.326 175 M HA 0.471 4.952 4.480 0.001 0.000 0.292 175 M C -1.137 175.248 176.300 0.142 0.000 1.081 175 M CA -0.362 55.081 55.300 0.238 0.000 0.919 175 M CB 1.896 34.646 32.600 0.250 0.000 1.634 175 M HN 0.684 8.974 8.290 -0.000 0.000 0.451 176 S N 2.942 118.644 115.700 0.003 0.000 2.451 176 S HA 0.619 5.089 4.470 0.001 0.000 0.301 176 S C -1.006 173.510 174.600 -0.139 0.000 1.116 176 S CA -0.406 57.782 58.200 -0.019 0.000 1.093 176 S CB 1.567 64.792 63.200 0.043 0.000 1.017 176 S HN 0.706 9.016 8.310 -0.000 0.000 0.482 177 S N 3.484 119.134 115.700 -0.083 0.000 2.733 177 S HA 0.594 5.064 4.470 0.001 0.000 0.307 177 S C -0.474 174.215 174.600 0.148 0.000 1.127 177 S CA -0.552 57.679 58.200 0.051 0.000 1.097 177 S CB 0.487 63.801 63.200 0.190 0.000 1.003 177 S HN 1.004 9.314 8.310 -0.000 0.000 0.477 178 T N 2.933 117.489 114.554 0.004 0.000 2.823 178 T HA 0.550 4.900 4.350 0.001 0.000 0.279 178 T C -0.346 174.205 174.700 -0.247 0.000 0.998 178 T CA -0.830 61.216 62.100 -0.089 0.000 0.994 178 T CB 1.183 69.975 68.868 -0.127 0.000 0.960 178 T HN 0.564 8.804 8.240 -0.000 0.000 0.448 179 L N 4.575 125.512 121.223 -0.476 0.000 2.360 179 L HA 0.350 4.690 4.340 0.001 0.000 0.265 179 L C 0.001 176.661 176.870 -0.349 0.000 1.066 179 L CA -0.617 53.857 54.840 -0.609 0.000 0.929 179 L CB 0.282 41.632 42.059 -1.181 0.000 1.306 179 L HN 0.988 9.218 8.230 -0.000 0.000 0.434 180 T N 2.963 117.382 114.554 -0.226 0.000 2.752 180 T HA 0.465 4.815 4.350 0.001 0.000 0.295 180 T C -0.020 174.613 174.700 -0.112 0.000 0.923 180 T CA -0.328 61.678 62.100 -0.155 0.000 1.112 180 T CB 0.887 69.687 68.868 -0.114 0.000 0.884 180 T HN 0.366 8.606 8.240 -0.000 0.000 0.525 181 L N 2.581 123.748 121.223 -0.093 0.000 2.333 181 L HA 0.588 4.928 4.340 0.001 0.000 0.263 181 L C 1.072 177.935 176.870 -0.011 0.000 1.014 181 L CA -1.350 53.476 54.840 -0.024 0.000 0.820 181 L CB 2.262 44.347 42.059 0.044 0.000 1.352 181 L HN 0.775 9.005 8.230 -0.000 0.000 0.421 182 T N -2.914 111.654 114.554 0.023 0.000 2.748 182 T HA 0.067 4.418 4.350 0.001 0.000 0.304 182 T C 0.857 175.598 174.700 0.069 0.000 1.041 182 T CA -0.385 61.732 62.100 0.028 0.000 1.033 182 T CB 0.997 69.884 68.868 0.032 0.000 0.995 182 T HN 0.659 8.899 8.240 -0.000 0.000 0.536 183 K N 0.042 120.480 120.400 0.064 0.000 2.211 183 K HA -0.135 4.185 4.320 0.001 0.000 0.203 183 K C 1.375 178.066 176.600 0.152 0.000 1.050 183 K CA 1.339 57.699 56.287 0.122 0.000 0.945 183 K CB -0.184 32.366 32.500 0.083 0.000 0.732 183 K HN 0.594 8.844 8.250 -0.000 0.000 0.451 184 D N 0.630 121.083 120.400 0.089 0.000 2.084 184 D HA -0.167 4.473 4.640 0.001 0.000 0.196 184 D C 1.813 178.146 176.300 0.054 0.000 0.985 184 D CA 1.125 55.159 54.000 0.056 0.000 0.826 184 D CB -0.086 40.732 40.800 0.030 0.000 0.978 184 D HN 0.208 8.578 8.370 -0.000 0.000 0.456 185 E N -0.132 120.118 120.200 0.084 0.000 2.106 185 E HA -0.185 4.165 4.350 0.001 0.000 0.192 185 E C 2.010 178.727 176.600 0.194 0.000 0.984 185 E CA 0.718 57.178 56.400 0.100 0.000 0.806 185 E CB -0.431 29.345 29.700 0.127 0.000 0.750 185 E HN 0.339 8.699 8.360 -0.000 0.000 0.458 186 Y N 1.463 121.834 120.300 0.119 0.000 2.114 186 Y HA -0.095 4.455 4.550 0.001 0.000 0.284 186 Y C 1.513 177.533 175.900 0.201 0.000 1.143 186 Y CA 2.120 60.335 58.100 0.193 0.000 1.135 186 Y CB -0.161 38.341 38.460 0.070 0.000 0.980 186 Y HN 0.078 8.358 8.280 -0.000 0.000 0.499 187 E N -0.105 120.092 120.200 -0.005 0.000 2.526 187 E HA -0.077 4.274 4.350 0.001 0.000 0.198 187 E C 1.705 178.226 176.600 -0.131 0.000 1.091 187 E CA 0.010 56.341 56.400 -0.114 0.000 0.880 187 E CB -0.018 29.681 29.700 -0.000 0.000 0.873 187 E HN 0.451 8.811 8.360 -0.000 0.000 0.527 188 R N -0.202 120.191 120.500 -0.178 0.000 2.312 188 R HA 0.080 4.420 4.340 0.001 0.000 0.205 188 R C 0.361 176.336 176.300 -0.541 0.000 0.904 188 R CA 0.296 56.184 56.100 -0.353 0.000 1.052 188 R CB 0.438 30.464 30.300 -0.457 0.000 1.014 188 R HN 0.113 8.383 8.270 -0.000 0.000 0.503 189 H N -2.125 116.873 119.070 -0.119 0.000 2.864 189 H HA 0.201 4.758 4.556 0.001 0.000 0.354 189 H C 0.019 175.195 175.328 -0.254 0.000 1.208 189 H CA -0.725 55.190 56.048 -0.222 0.000 1.191 189 H CB 1.562 31.106 29.762 -0.363 0.000 1.889 189 H HN -0.103 8.177 8.280 -0.000 0.000 0.574 190 N N -0.001 118.603 118.700 -0.160 0.000 2.646 190 N HA -0.054 4.686 4.740 0.001 0.000 0.214 190 N C -0.284 175.085 175.510 -0.234 0.000 1.042 190 N CA 0.391 53.347 53.050 -0.158 0.000 0.925 190 N CB 0.823 39.246 38.487 -0.106 0.000 1.383 190 N HN 0.497 8.877 8.380 -0.000 0.000 0.439 191 S N -0.003 115.485 115.700 -0.354 0.000 2.519 191 S HA 0.522 4.992 4.470 0.001 0.000 0.309 191 S C -1.408 172.909 174.600 -0.473 0.000 1.100 191 S CA -0.684 57.308 58.200 -0.346 0.000 1.059 191 S CB 0.994 64.072 63.200 -0.204 0.000 1.008 191 S HN 0.155 8.465 8.310 -0.000 0.000 0.478 192 Y N 1.251 121.325 120.300 -0.377 0.000 2.335 192 Y HA 0.583 5.134 4.550 0.001 0.000 0.338 192 Y C 0.670 176.570 175.900 -0.000 0.000 0.977 192 Y CA -0.521 57.510 58.100 -0.114 0.000 1.114 192 Y CB 2.308 40.764 38.460 -0.007 0.000 1.182 192 Y HN 0.678 8.958 8.280 -0.000 0.000 0.463 193 T N 2.566 117.222 114.554 0.169 0.000 2.863 193 T HA 0.362 4.712 4.350 0.001 0.000 0.285 193 T C -1.339 173.267 174.700 -0.156 0.000 1.009 193 T CA -0.581 61.531 62.100 0.019 0.000 0.989 193 T CB 1.187 70.037 68.868 -0.030 0.000 1.004 193 T HN 0.747 8.987 8.240 -0.000 0.000 0.455 194 c N 4.537 122.940 118.600 -0.329 0.000 2.653 194 c HA 0.466 5.037 4.570 0.001 0.000 0.291 194 c C -0.239 173.625 174.090 -0.378 0.000 1.064 194 c CA -0.627 55.298 56.329 -0.672 0.000 1.469 194 c CB -1.243 40.768 42.510 -0.831 0.000 1.861 194 c HN 0.914 9.144 8.230 -0.000 0.000 0.434 195 E N 3.545 123.567 120.200 -0.297 0.000 2.200 195 E HA 0.573 4.923 4.350 0.001 0.000 0.283 195 E C -0.085 176.419 176.600 -0.159 0.000 1.015 195 E CA -0.104 56.194 56.400 -0.171 0.000 0.819 195 E CB 1.644 31.279 29.700 -0.108 0.000 1.081 195 E HN 0.801 9.161 8.360 -0.000 0.000 0.397 196 A N 2.849 125.599 122.820 -0.117 0.000 2.337 196 A HA 0.587 4.907 4.320 0.001 0.000 0.329 196 A C -0.471 177.080 177.584 -0.055 0.000 1.146 196 A CA -0.632 51.348 52.037 -0.095 0.000 0.800 196 A CB 1.272 20.215 19.000 -0.095 0.000 1.220 196 A HN 0.513 8.663 8.150 -0.000 0.000 0.472 197 T N 2.682 117.209 114.554 -0.045 0.000 2.906 197 T HA 0.411 4.761 4.350 0.001 0.000 0.302 197 T C -0.791 173.913 174.700 0.007 0.000 1.002 197 T CA -0.215 61.875 62.100 -0.016 0.000 0.988 197 T CB 0.261 69.115 68.868 -0.024 0.000 0.972 197 T HN 0.717 8.957 8.240 -0.000 0.000 0.447 198 H N 2.065 121.085 119.070 -0.083 0.000 2.621 198 H HA 0.341 4.898 4.556 0.001 0.000 0.360 198 H C 1.085 176.395 175.328 -0.029 0.000 1.163 198 H CA -0.739 55.259 56.048 -0.083 0.000 1.194 198 H CB 1.948 31.663 29.762 -0.079 0.000 1.649 198 H HN 0.616 8.896 8.280 -0.000 0.000 0.532 199 K N 1.644 121.779 120.400 -0.442 0.000 2.173 199 K HA -0.197 4.124 4.320 0.001 0.000 0.207 199 K C 1.502 178.070 176.600 -0.053 0.000 1.046 199 K CA 2.075 58.217 56.287 -0.242 0.000 0.929 199 K CB -0.149 32.169 32.500 -0.303 0.000 0.720 199 K HN 0.498 8.748 8.250 -0.000 0.000 0.453 200 T N -0.514 114.101 114.554 0.101 0.000 2.896 200 T HA -0.125 4.225 4.350 0.001 0.000 0.270 200 T C 0.305 175.079 174.700 0.124 0.000 1.104 200 T CA 1.304 63.543 62.100 0.233 0.000 1.115 200 T CB -0.192 68.947 68.868 0.451 0.000 0.843 200 T HN 0.425 8.665 8.240 -0.000 0.000 0.523 201 S N -2.431 113.318 115.700 0.082 0.000 2.578 201 S HA 0.384 4.854 4.470 0.001 0.000 0.272 201 S C 0.766 175.382 174.600 0.027 0.000 1.145 201 S CA -0.154 58.077 58.200 0.052 0.000 0.835 201 S CB 1.089 64.323 63.200 0.056 0.000 1.104 201 S HN 0.115 8.425 8.310 -0.000 0.000 0.458 202 T N 1.547 116.112 114.554 0.018 0.000 2.852 202 T HA 0.129 4.479 4.350 0.001 0.000 0.256 202 T C 1.127 175.830 174.700 0.005 0.000 1.038 202 T CA 1.012 63.117 62.100 0.007 0.000 1.141 202 T CB -0.399 68.472 68.868 0.005 0.000 0.869 202 T HN 0.700 8.940 8.240 -0.000 0.000 0.439 203 S N 3.716 119.421 115.700 0.008 0.000 2.466 203 S HA 0.167 4.637 4.470 0.001 0.000 0.286 203 S C -2.546 172.056 174.600 0.003 0.000 1.221 203 S CA -1.483 56.719 58.200 0.004 0.000 1.091 203 S CB -0.152 63.051 63.200 0.005 0.000 0.956 203 S HN 0.026 8.336 8.310 -0.000 0.000 0.501 204 P HA 0.175 4.595 4.420 -0.000 0.000 0.269 204 P C -0.550 176.740 177.300 -0.017 0.000 1.209 204 P CA -0.168 62.924 63.100 -0.013 0.000 0.776 204 P CB 0.295 31.979 31.700 -0.026 0.000 0.876 205 I N 2.094 122.652 120.570 -0.021 0.000 2.206 205 I HA 0.061 4.232 4.170 0.001 0.000 0.292 205 I C 0.002 176.093 176.117 -0.043 0.000 1.156 205 I CA -0.437 60.850 61.300 -0.021 0.000 1.356 205 I CB -0.124 37.871 38.000 -0.009 0.000 1.494 205 I HN 0.010 8.220 8.210 -0.000 0.000 0.601 206 V N 5.453 125.341 119.914 -0.044 0.000 2.655 206 V HA 0.126 4.247 4.120 0.001 0.000 0.300 206 V C 0.341 176.403 176.094 -0.053 0.000 1.044 206 V CA 0.186 62.450 62.300 -0.060 0.000 1.095 206 V CB 0.861 32.656 31.823 -0.047 0.000 0.952 206 V HN 0.578 8.768 8.190 -0.000 0.000 0.485 207 K N 2.435 122.793 120.400 -0.070 0.000 2.525 207 K HA 0.663 4.983 4.320 0.001 0.000 0.254 207 K C -0.810 175.780 176.600 -0.016 0.000 0.934 207 K CA -0.354 55.907 56.287 -0.043 0.000 0.802 207 K CB 2.309 34.779 32.500 -0.050 0.000 1.295 207 K HN 0.919 9.169 8.250 -0.000 0.000 0.433 208 S N 1.054 116.782 115.700 0.047 0.000 2.752 208 S HA 0.834 5.305 4.470 0.001 0.000 0.284 208 S C -1.393 173.362 174.600 0.259 0.000 1.189 208 S CA -0.961 57.322 58.200 0.139 0.000 0.835 208 S CB 1.216 64.443 63.200 0.046 0.000 1.192 208 S HN 0.595 8.905 8.310 -0.000 0.000 0.506 209 F N -0.854 119.148 119.950 0.087 0.000 2.703 209 F HA 0.768 5.295 4.527 0.001 0.000 0.308 209 F C -1.895 173.995 175.800 0.149 0.000 1.126 209 F CA -0.937 57.118 58.000 0.093 0.000 0.959 209 F CB 0.698 39.748 39.000 0.084 0.000 1.297 209 F HN 0.525 8.825 8.300 -0.000 0.000 0.441 210 N N 2.046 120.759 118.700 0.022 0.000 2.443 210 N HA 0.434 5.174 4.740 0.001 0.000 0.295 210 N C 0.638 176.207 175.510 0.099 0.000 1.076 210 N CA -0.843 52.168 53.050 -0.065 0.000 0.919 210 N CB 2.040 40.527 38.487 -0.001 0.000 1.176 210 N HN 0.809 9.189 8.380 -0.000 0.000 0.487 211 R N 1.642 122.165 120.500 0.039 0.000 2.073 211 R HA -0.045 4.296 4.340 0.001 0.000 0.234 211 R C 0.636 177.012 176.300 0.128 0.000 1.134 211 R CA 1.651 57.845 56.100 0.158 0.000 0.952 211 R CB -0.002 30.294 30.300 -0.007 0.000 0.850 211 R HN 0.505 8.775 8.270 -0.000 0.000 0.433 212 N N 1.190 119.925 118.700 0.057 0.000 2.244 212 N HA -0.161 4.580 4.740 0.001 0.000 0.183 212 N C 0.055 175.604 175.510 0.066 0.000 1.016 212 N CA 0.753 53.831 53.050 0.048 0.000 0.866 212 N CB -0.175 38.321 38.487 0.016 0.000 0.980 212 N HN 0.293 8.673 8.380 -0.000 0.000 0.430 213 E N 2.298 122.545 120.200 0.078 0.000 2.395 213 E HA -0.130 4.220 4.350 0.001 0.000 0.237 213 E C 0.105 176.768 176.600 0.104 0.000 1.254 213 E CA -0.038 56.415 56.400 0.088 0.000 0.965 213 E CB -0.748 29.016 29.700 0.107 0.000 1.068 213 E HN 0.310 8.670 8.360 -0.000 0.000 0.471 214 C N 0.000 119.347 119.300 0.078 0.000 2.653 214 C HA 0.000 4.460 4.460 0.001 0.000 0.325 214 C CA 0.000 59.063 59.018 0.075 0.000 1.963 214 C CB 0.000 27.777 27.740 0.062 0.000 2.134 214 C HN 0.000 8.230 8.230 -0.000 0.000 0.568