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 1kqo_1_C DATA FIRST_RESID 5 DATA SEQUENCE EKTEVVLLAC GSFNPITNMH LRLFELAKDY MNGTGRYTVV KGIISPVGDA DATA SEQUENCE YKKKGLIPAY HRVIMAELAT KNSKWVEVDT WESLQKEWKE TLKVLRHHQE DATA SEQUENCE KLEAXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXAVPKVKLL DATA SEQUENCE CGADLLESFA VPNLWKSEDI TQIVANYGLI CVTRAGNDAQ KFIYESDVLW DATA SEQUENCE KHRSNIHVVN EWIANDISST KIRRALRRGQ SIRYLVPDLV QEYIEKHNLY DATA SEQUENCE SSESEDRNAG VILAPLQRNT A 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 5 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 5 E C 0.000 176.545 176.600 -0.091 0.000 1.382 5 E CA 0.000 56.362 56.400 -0.063 0.000 0.976 5 E CB 0.000 29.671 29.700 -0.049 0.000 0.812 6 K N 0.896 121.246 120.400 -0.085 0.000 2.185 6 K HA 0.419 4.738 4.320 -0.001 0.000 0.271 6 K C -0.989 175.560 176.600 -0.085 0.000 1.013 6 K CA -0.001 56.219 56.287 -0.110 0.000 0.943 6 K CB 1.433 33.887 32.500 -0.077 0.000 0.998 6 K HN 0.225 8.475 8.250 -0.000 0.000 0.468 7 T N 2.901 117.386 114.554 -0.115 0.000 2.749 7 T HA 0.114 4.463 4.350 -0.001 0.000 0.287 7 T C -0.452 174.306 174.700 0.097 0.000 0.970 7 T CA -0.542 61.551 62.100 -0.012 0.000 0.980 7 T CB 0.588 69.448 68.868 -0.012 0.000 0.924 7 T HN 0.403 8.643 8.240 -0.000 0.000 0.456 8 E N 1.888 122.136 120.200 0.079 0.000 2.290 8 E HA 0.386 4.736 4.350 -0.001 0.000 0.277 8 E C -0.483 176.191 176.600 0.123 0.000 1.035 8 E CA -0.309 56.145 56.400 0.090 0.000 0.873 8 E CB 1.248 30.985 29.700 0.060 0.000 1.029 8 E HN 0.273 8.633 8.360 -0.000 0.000 0.419 9 V N 3.712 123.702 119.914 0.126 0.000 2.914 9 V HA 0.484 4.603 4.120 -0.001 0.000 0.314 9 V C -1.123 175.039 176.094 0.114 0.000 1.084 9 V CA -0.676 61.694 62.300 0.118 0.000 0.963 9 V CB 2.212 34.088 31.823 0.089 0.000 1.025 9 V HN 0.375 8.565 8.190 -0.000 0.000 0.432 10 V N 6.639 126.626 119.914 0.121 0.000 2.409 10 V HA 0.475 4.595 4.120 -0.001 0.000 0.291 10 V C -0.281 175.895 176.094 0.137 0.000 1.020 10 V CA -0.541 61.846 62.300 0.145 0.000 0.848 10 V CB 1.551 33.447 31.823 0.121 0.000 0.990 10 V HN 0.735 8.925 8.190 -0.000 0.000 0.430 11 L N 5.867 127.210 121.223 0.199 0.000 2.261 11 L HA 0.489 4.828 4.340 -0.001 0.000 0.289 11 L C -0.469 176.487 176.870 0.142 0.000 1.059 11 L CA -0.378 54.545 54.840 0.140 0.000 0.816 11 L CB 1.082 43.230 42.059 0.149 0.000 1.191 11 L HN 0.459 8.689 8.230 -0.000 0.000 0.431 12 L N 4.278 125.528 121.223 0.045 0.000 2.265 12 L HA 0.658 4.997 4.340 -0.001 0.000 0.289 12 L C 0.035 176.928 176.870 0.039 0.000 1.033 12 L CA -0.042 54.808 54.840 0.017 0.000 0.814 12 L CB 1.306 43.318 42.059 -0.079 0.000 1.203 12 L HN 0.636 8.866 8.230 -0.000 0.000 0.423 13 A N 5.307 128.212 122.820 0.142 0.000 2.316 13 A HA 0.518 4.837 4.320 -0.001 0.000 0.324 13 A C -0.296 177.463 177.584 0.291 0.000 1.375 13 A CA -0.484 51.660 52.037 0.178 0.000 0.882 13 A CB -0.102 19.045 19.000 0.245 0.000 1.152 13 A HN 0.776 8.926 8.150 -0.000 0.000 0.512 14 C N 1.865 121.268 119.300 0.171 0.000 2.527 14 C HA 0.834 5.294 4.460 -0.001 0.000 0.396 14 C C 1.123 176.119 174.990 0.009 0.000 1.289 14 C CA 0.766 59.874 59.018 0.150 0.000 2.047 14 C CB 0.046 27.846 27.740 0.100 0.000 2.568 14 C HN 1.173 9.403 8.230 -0.000 0.000 0.573 15 G N 1.666 110.400 108.800 -0.112 0.000 2.356 15 G HA2 0.371 4.331 3.960 -0.001 0.000 0.294 15 G HA3 0.371 4.331 3.960 -0.001 0.000 0.294 15 G C 0.175 174.758 174.900 -0.527 0.000 1.423 15 G CA -0.050 44.725 45.100 -0.540 0.000 0.806 15 G HN 0.478 8.768 8.290 -0.000 0.000 0.527 16 S N -0.834 114.576 115.700 -0.482 0.000 2.395 16 S HA 0.130 4.599 4.470 -0.001 0.000 0.225 16 S C 0.819 175.363 174.600 -0.094 0.000 1.027 16 S CA 0.874 58.963 58.200 -0.185 0.000 0.965 16 S CB -0.450 62.719 63.200 -0.051 0.000 0.812 16 S HN 0.982 9.292 8.310 -0.000 0.000 0.482 17 F N 1.603 121.469 119.950 -0.140 0.000 2.866 17 F HA -0.189 4.338 4.527 -0.001 0.000 0.254 17 F C 0.348 176.140 175.800 -0.013 0.000 1.009 17 F CA 0.001 57.881 58.000 -0.200 0.000 0.907 17 F CB -1.981 36.894 39.000 -0.207 0.000 0.859 17 F HN 0.169 8.469 8.300 -0.000 0.000 0.842 18 N N 1.864 120.630 118.700 0.111 0.000 2.990 18 N HA 0.334 5.073 4.740 -0.001 0.000 0.288 18 N C -2.648 172.902 175.510 0.067 0.000 1.624 18 N CA -1.860 51.298 53.050 0.180 0.000 0.961 18 N CB 0.969 39.554 38.487 0.163 0.000 1.259 18 N HN 0.054 8.434 8.380 -0.000 0.000 0.489 19 P HA 0.263 4.683 4.420 -0.000 0.000 0.285 19 P C 0.058 177.489 177.300 0.218 0.000 1.280 19 P CA -0.698 62.505 63.100 0.171 0.000 0.862 19 P CB 1.842 33.635 31.700 0.156 0.000 1.153 20 I N 1.203 121.922 120.570 0.248 0.000 2.813 20 I HA 0.081 4.251 4.170 -0.001 0.000 0.287 20 I C 0.444 176.776 176.117 0.358 0.000 1.196 20 I CA 1.000 62.520 61.300 0.366 0.000 1.421 20 I CB 0.611 38.699 38.000 0.146 0.000 1.365 20 I HN 0.551 8.761 8.210 -0.000 0.000 0.591 21 T N 2.235 117.084 114.554 0.492 0.000 2.804 21 T HA 0.337 4.687 4.350 -0.001 0.000 0.290 21 T C 0.724 175.478 174.700 0.090 0.000 1.099 21 T CA -0.849 61.341 62.100 0.150 0.000 1.011 21 T CB 1.156 70.018 68.868 -0.010 0.000 1.291 21 T HN 0.564 8.804 8.240 -0.000 0.000 0.523 22 N N 0.027 118.749 118.700 0.036 0.000 2.149 22 N HA -0.091 4.649 4.740 -0.001 0.000 0.188 22 N C 1.785 177.311 175.510 0.026 0.000 1.019 22 N CA 1.200 54.274 53.050 0.040 0.000 0.857 22 N CB -0.555 37.956 38.487 0.040 0.000 0.997 22 N HN 0.603 8.983 8.380 -0.000 0.000 0.426 23 M N 0.577 120.146 119.600 -0.052 0.000 2.108 23 M HA -0.198 4.282 4.480 -0.001 0.000 0.261 23 M C 1.516 177.789 176.300 -0.045 0.000 1.066 23 M CA 1.634 56.878 55.300 -0.093 0.000 1.107 23 M CB -0.414 32.068 32.600 -0.198 0.000 1.356 23 M HN 0.244 8.534 8.290 -0.000 0.000 0.406 24 H N 0.166 119.317 119.070 0.136 0.000 2.387 24 H HA -0.090 4.465 4.556 -0.001 0.000 0.299 24 H C 2.145 177.635 175.328 0.270 0.000 1.090 24 H CA 1.583 57.768 56.048 0.230 0.000 1.332 24 H CB -0.584 29.391 29.762 0.355 0.000 1.386 24 H HN 0.432 8.712 8.280 -0.000 0.000 0.516 25 L N 0.042 121.429 121.223 0.273 0.000 2.109 25 L HA -0.082 4.258 4.340 -0.001 0.000 0.207 25 L C 2.783 179.793 176.870 0.233 0.000 1.086 25 L CA 0.559 55.515 54.840 0.194 0.000 0.760 25 L CB -0.212 41.887 42.059 0.066 0.000 0.910 25 L HN 0.028 8.258 8.230 -0.000 0.000 0.437 26 R N 0.665 121.266 120.500 0.169 0.000 2.083 26 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 26 R C 2.091 178.491 176.300 0.167 0.000 1.137 26 R CA 1.646 57.830 56.100 0.141 0.000 0.951 26 R CB -0.933 29.412 30.300 0.074 0.000 0.851 26 R HN 0.074 8.344 8.270 -0.000 0.000 0.434 27 L N -0.373 120.941 121.223 0.151 0.000 2.103 27 L HA -0.198 4.142 4.340 -0.001 0.000 0.215 27 L C 2.094 179.010 176.870 0.078 0.000 1.080 27 L CA 1.769 56.651 54.840 0.071 0.000 0.764 27 L CB -0.709 41.366 42.059 0.027 0.000 0.890 27 L HN 0.168 8.398 8.230 -0.000 0.000 0.435 28 F N -0.920 119.117 119.950 0.144 0.000 2.293 28 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 28 F C 2.407 178.467 175.800 0.433 0.000 1.089 28 F CA 0.615 58.778 58.000 0.272 0.000 1.377 28 F CB -0.301 38.740 39.000 0.068 0.000 1.051 28 F HN 0.066 8.366 8.300 -0.000 0.000 0.511 29 E N 0.632 121.130 120.200 0.497 0.000 2.031 29 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 29 E C 2.477 179.211 176.600 0.223 0.000 0.994 29 E CA 1.035 57.660 56.400 0.375 0.000 0.800 29 E CB -0.928 28.928 29.700 0.261 0.000 0.752 29 E HN 0.371 8.731 8.360 -0.000 0.000 0.447 30 L N 0.734 122.056 121.223 0.165 0.000 1.990 30 L HA -0.243 4.097 4.340 -0.001 0.000 0.213 30 L C 2.568 179.500 176.870 0.103 0.000 1.072 30 L CA 1.671 56.572 54.840 0.101 0.000 0.755 30 L CB -0.591 41.492 42.059 0.039 0.000 0.889 30 L HN 0.099 8.329 8.230 -0.000 0.000 0.432 31 A N -0.684 122.188 122.820 0.086 0.000 2.015 31 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 31 A C 2.369 180.008 177.584 0.091 0.000 1.163 31 A CA 1.817 53.896 52.037 0.070 0.000 0.646 31 A CB -0.406 18.589 19.000 -0.007 0.000 0.806 31 A HN 0.372 8.522 8.150 -0.000 0.000 0.448 32 K N -0.567 119.883 120.400 0.084 0.000 2.103 32 K HA -0.138 4.181 4.320 -0.001 0.000 0.204 32 K C 1.191 177.753 176.600 -0.063 0.000 1.052 32 K CA 1.333 57.570 56.287 -0.084 0.000 0.945 32 K CB -0.119 32.149 32.500 -0.386 0.000 0.722 32 K HN 0.294 8.544 8.250 -0.000 0.000 0.443 33 D N -0.201 120.204 120.400 0.008 0.000 2.117 33 D HA -0.182 4.458 4.640 -0.001 0.000 0.197 33 D C 1.643 177.967 176.300 0.040 0.000 0.987 33 D CA 0.991 55.003 54.000 0.020 0.000 0.829 33 D CB -0.240 40.597 40.800 0.062 0.000 0.961 33 D HN 0.255 8.625 8.370 -0.000 0.000 0.460 34 Y N 0.884 121.166 120.300 -0.030 0.000 2.114 34 Y HA -0.209 4.340 4.550 -0.001 0.000 0.284 34 Y C 2.216 178.082 175.900 -0.056 0.000 1.143 34 Y CA 1.549 59.630 58.100 -0.032 0.000 1.135 34 Y CB -0.188 38.243 38.460 -0.047 0.000 0.980 34 Y HN -0.165 8.115 8.280 -0.000 0.000 0.499 35 M N 0.515 120.065 119.600 -0.084 0.000 2.086 35 M HA -0.225 4.254 4.480 -0.001 0.000 0.261 35 M C 1.703 177.948 176.300 -0.091 0.000 1.067 35 M CA 1.508 56.697 55.300 -0.185 0.000 1.116 35 M CB -1.374 31.125 32.600 -0.168 0.000 1.348 35 M HN 0.380 8.670 8.290 -0.000 0.000 0.407 36 N N 0.379 119.032 118.700 -0.078 0.000 2.244 36 N HA -0.054 4.686 4.740 -0.001 0.000 0.183 36 N C 1.760 177.221 175.510 -0.081 0.000 1.016 36 N CA 1.419 54.432 53.050 -0.061 0.000 0.866 36 N CB -0.599 37.839 38.487 -0.082 0.000 0.980 36 N HN 0.463 8.843 8.380 -0.000 0.000 0.430 37 G N 0.310 109.041 108.800 -0.115 0.000 2.776 37 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.209 37 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.209 37 G C 1.467 176.272 174.900 -0.159 0.000 1.145 37 G CA 1.266 46.297 45.100 -0.116 0.000 0.791 37 G HN 0.467 8.757 8.290 -0.000 0.000 0.530 38 T N -3.646 110.790 114.554 -0.197 0.000 3.067 38 T HA 0.344 4.694 4.350 -0.001 0.000 0.257 38 T C 2.071 176.718 174.700 -0.090 0.000 1.105 38 T CA 1.013 63.011 62.100 -0.170 0.000 1.104 38 T CB 0.116 68.906 68.868 -0.129 0.000 0.925 38 T HN 1.148 9.388 8.240 -0.000 0.000 0.498 39 G N 2.746 111.500 108.800 -0.076 0.000 2.205 39 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.261 39 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.261 39 G C 0.985 175.826 174.900 -0.099 0.000 0.980 39 G CA 0.345 45.402 45.100 -0.072 0.000 0.632 39 G HN 0.771 9.061 8.290 -0.000 0.000 0.533 40 R N -1.204 119.211 120.500 -0.142 0.000 2.476 40 R HA 0.547 4.887 4.340 -0.001 0.000 0.276 40 R C 0.074 176.082 176.300 -0.488 0.000 0.941 40 R CA -0.251 55.667 56.100 -0.304 0.000 1.088 40 R CB 0.359 30.431 30.300 -0.380 0.000 1.216 40 R HN 0.366 8.636 8.270 -0.000 0.000 0.533 41 Y N 0.079 120.328 120.300 -0.085 0.000 2.536 41 Y HA 0.462 5.012 4.550 -0.001 0.000 0.347 41 Y C -0.209 175.646 175.900 -0.075 0.000 1.000 41 Y CA -1.062 56.994 58.100 -0.074 0.000 1.051 41 Y CB 2.738 41.140 38.460 -0.097 0.000 1.259 41 Y HN -0.221 8.059 8.280 -0.000 0.000 0.468 42 T N 2.118 116.742 114.554 0.116 0.000 2.930 42 T HA 0.302 4.651 4.350 -0.001 0.000 0.313 42 T C -0.984 173.737 174.700 0.036 0.000 1.019 42 T CA -0.582 61.538 62.100 0.035 0.000 1.004 42 T CB 0.597 69.471 68.868 0.010 0.000 0.987 42 T HN 0.312 8.552 8.240 -0.000 0.000 0.456 43 V N 5.152 125.056 119.914 -0.017 0.000 2.397 43 V HA 0.065 4.184 4.120 -0.001 0.000 0.262 43 V C 1.569 177.649 176.094 -0.024 0.000 1.047 43 V CA 0.181 62.466 62.300 -0.026 0.000 1.003 43 V CB 0.560 32.307 31.823 -0.126 0.000 1.037 43 V HN 0.858 9.048 8.190 -0.000 0.000 0.480 44 V N 2.195 122.151 119.914 0.069 0.000 3.471 44 V HA 0.397 4.516 4.120 -0.001 0.000 0.258 44 V C 0.593 176.810 176.094 0.205 0.000 1.192 44 V CA 0.707 63.064 62.300 0.096 0.000 1.116 44 V CB -0.185 31.686 31.823 0.080 0.000 0.792 44 V HN 0.731 8.921 8.190 -0.000 0.000 0.459 45 K N -0.356 120.228 120.400 0.306 0.000 2.578 45 K HA 0.570 4.890 4.320 -0.001 0.000 0.269 45 K C -0.864 176.018 176.600 0.470 0.000 0.941 45 K CA -0.031 56.491 56.287 0.392 0.000 0.847 45 K CB 2.050 34.668 32.500 0.197 0.000 1.397 45 K HN 0.320 8.570 8.250 -0.000 0.000 0.422 46 G N 3.020 111.992 108.800 0.287 0.000 2.461 46 G HA2 0.680 4.640 3.960 -0.001 0.000 0.323 46 G HA3 0.680 4.640 3.960 -0.001 0.000 0.323 46 G C -0.999 173.844 174.900 -0.094 0.000 1.229 46 G CA -0.661 44.527 45.100 0.147 0.000 0.941 46 G HN 0.442 8.732 8.290 -0.000 0.000 0.477 47 I N 2.366 122.991 120.570 0.092 0.000 2.439 47 I HA 0.305 4.475 4.170 -0.001 0.000 0.285 47 I C -0.467 175.645 176.117 -0.008 0.000 1.021 47 I CA -0.594 60.669 61.300 -0.062 0.000 1.091 47 I CB 2.168 40.109 38.000 -0.100 0.000 1.242 47 I HN 0.224 8.434 8.210 -0.000 0.000 0.439 48 I N 4.835 125.289 120.570 -0.193 0.000 2.312 48 I HA 0.171 4.341 4.170 -0.001 0.000 0.291 48 I C 0.372 176.390 176.117 -0.166 0.000 1.031 48 I CA 0.036 61.182 61.300 -0.257 0.000 1.293 48 I CB 1.439 39.062 38.000 -0.628 0.000 1.403 48 I HN 0.461 8.671 8.210 -0.000 0.000 0.484 49 S N 8.402 124.119 115.700 0.029 0.000 2.516 49 S HA 0.438 4.908 4.470 -0.001 0.000 0.268 49 S C -2.419 172.316 174.600 0.224 0.000 1.251 49 S CA -1.560 56.707 58.200 0.111 0.000 1.153 49 S CB 0.431 63.715 63.200 0.141 0.000 1.009 49 S HN 0.258 8.568 8.310 -0.000 0.000 0.479 50 P HA 0.081 4.501 4.420 -0.000 0.000 0.271 50 P C -0.244 177.130 177.300 0.124 0.000 1.218 50 P CA -0.351 62.911 63.100 0.270 0.000 0.780 50 P CB 0.614 32.410 31.700 0.160 0.000 0.901 51 V N 3.049 123.008 119.914 0.075 0.000 2.811 51 V HA 0.363 4.482 4.120 -0.001 0.000 0.302 51 V C 0.969 177.091 176.094 0.047 0.000 1.063 51 V CA 0.345 62.645 62.300 0.001 0.000 1.088 51 V CB 0.537 32.265 31.823 -0.159 0.000 0.982 51 V HN 0.735 8.925 8.190 -0.000 0.000 0.485 52 G N 3.314 112.142 108.800 0.047 0.000 2.606 52 G HA2 0.122 4.081 3.960 -0.001 0.000 0.252 52 G HA3 0.122 4.081 3.960 -0.001 0.000 0.252 52 G C 0.494 175.471 174.900 0.127 0.000 1.206 52 G CA -0.171 44.958 45.100 0.047 0.000 0.861 52 G HN 0.815 9.105 8.290 -0.000 0.000 0.561 53 D N 0.931 121.386 120.400 0.093 0.000 2.312 53 D HA -0.085 4.554 4.640 -0.001 0.000 0.211 53 D C 2.516 178.884 176.300 0.114 0.000 0.964 53 D CA 1.018 55.080 54.000 0.103 0.000 0.877 53 D CB 0.053 40.892 40.800 0.065 0.000 0.924 53 D HN 0.407 8.777 8.370 -0.000 0.000 0.515 54 A N 0.451 123.347 122.820 0.127 0.000 2.076 54 A HA -0.235 4.085 4.320 -0.001 0.000 0.220 54 A C 1.954 179.648 177.584 0.183 0.000 1.160 54 A CA 0.745 52.864 52.037 0.137 0.000 0.653 54 A CB -0.781 18.307 19.000 0.148 0.000 0.801 54 A HN 0.241 8.391 8.150 -0.000 0.000 0.455 55 Y N 0.164 120.504 120.300 0.067 0.000 2.207 55 Y HA -0.217 4.332 4.550 -0.001 0.000 0.287 55 Y C 0.973 176.761 175.900 -0.187 0.000 1.156 55 Y CA 2.055 60.073 58.100 -0.136 0.000 1.182 55 Y CB 0.160 38.583 38.460 -0.061 0.000 0.979 55 Y HN 0.415 8.695 8.280 -0.000 0.000 0.521 56 K N 0.072 120.418 120.400 -0.090 0.000 3.391 56 K HA -0.270 4.050 4.320 -0.001 0.000 0.307 56 K C 0.113 176.554 176.600 -0.264 0.000 1.304 56 K CA 1.033 57.219 56.287 -0.168 0.000 0.904 56 K CB -1.969 30.420 32.500 -0.185 0.000 1.293 56 K HN 0.520 8.770 8.250 -0.000 0.000 0.470 57 K N 2.481 122.690 120.400 -0.318 0.000 2.448 57 K HA 0.027 4.346 4.320 -0.001 0.000 0.278 57 K C 0.363 176.894 176.600 -0.114 0.000 1.009 57 K CA 0.076 56.191 56.287 -0.286 0.000 0.995 57 K CB 0.506 32.932 32.500 -0.124 0.000 0.917 57 K HN 0.119 8.369 8.250 -0.000 0.000 0.481 58 K N 2.661 122.998 120.400 -0.106 0.000 2.489 58 K HA -0.061 4.259 4.320 -0.001 0.000 0.278 58 K C 0.589 177.187 176.600 -0.004 0.000 1.000 58 K CA 1.242 57.499 56.287 -0.050 0.000 1.012 58 K CB 0.029 32.501 32.500 -0.047 0.000 0.903 58 K HN 0.863 9.113 8.250 -0.000 0.000 0.485 59 G N 2.933 111.745 108.800 0.019 0.000 2.162 59 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.260 59 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.260 59 G C -0.177 174.785 174.900 0.103 0.000 0.976 59 G CA 0.287 45.425 45.100 0.063 0.000 0.655 59 G HN 0.572 8.862 8.290 -0.000 0.000 0.533 60 L N 2.633 123.905 121.223 0.082 0.000 2.407 60 L HA 0.577 4.917 4.340 -0.001 0.000 0.282 60 L C 1.166 178.098 176.870 0.104 0.000 1.110 60 L CA -0.860 54.049 54.840 0.115 0.000 0.863 60 L CB -0.083 42.042 42.059 0.110 0.000 1.207 60 L HN 0.387 8.617 8.230 -0.000 0.000 0.454 61 I N 3.874 124.515 120.570 0.118 0.000 3.138 61 I HA 0.393 4.562 4.170 -0.001 0.000 0.288 61 I C -2.009 174.176 176.117 0.114 0.000 1.148 61 I CA -1.965 59.373 61.300 0.064 0.000 1.315 61 I CB -0.170 37.791 38.000 -0.065 0.000 1.426 61 I HN 0.459 8.669 8.210 -0.000 0.000 0.615 62 P HA -0.036 4.384 4.420 -0.000 0.000 0.264 62 P C 0.280 177.665 177.300 0.143 0.000 1.183 62 P CA 0.490 63.677 63.100 0.146 0.000 0.763 62 P CB 0.817 32.617 31.700 0.167 0.000 0.807 63 A N 3.680 126.561 122.820 0.101 0.000 1.896 63 A HA -0.307 4.012 4.320 -0.001 0.000 0.220 63 A C 2.005 179.627 177.584 0.064 0.000 1.206 63 A CA 1.958 54.044 52.037 0.081 0.000 0.647 63 A CB -2.118 16.917 19.000 0.058 0.000 0.828 63 A HN 0.620 8.770 8.150 -0.000 0.000 0.455 64 Y N 0.235 120.479 120.300 -0.094 0.000 2.102 64 Y HA -0.362 4.188 4.550 -0.001 0.000 0.280 64 Y C 2.438 178.217 175.900 -0.202 0.000 1.178 64 Y CA 2.544 60.533 58.100 -0.185 0.000 1.146 64 Y CB -0.754 37.532 38.460 -0.291 0.000 0.968 64 Y HN 0.624 8.904 8.280 -0.000 0.000 0.504 65 H N -1.377 117.724 119.070 0.052 0.000 2.389 65 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 65 H C 2.360 177.630 175.328 -0.096 0.000 1.081 65 H CA 1.545 57.585 56.048 -0.012 0.000 1.345 65 H CB -0.057 29.765 29.762 0.100 0.000 1.393 65 H HN 0.221 8.501 8.280 -0.000 0.000 0.520 66 R N 0.103 120.656 120.500 0.088 0.000 2.075 66 R HA -0.091 4.248 4.340 -0.001 0.000 0.232 66 R C 2.256 178.516 176.300 -0.066 0.000 1.126 66 R CA 1.293 57.430 56.100 0.060 0.000 0.963 66 R CB -0.248 30.126 30.300 0.124 0.000 0.858 66 R HN 0.161 8.431 8.270 -0.000 0.000 0.435 67 V N 1.391 121.225 119.914 -0.133 0.000 2.295 67 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 67 V C 2.290 178.200 176.094 -0.307 0.000 1.049 67 V CA 1.667 63.840 62.300 -0.211 0.000 1.024 67 V CB -0.417 31.267 31.823 -0.231 0.000 0.648 67 V HN 0.268 8.459 8.190 -0.000 0.000 0.447 68 I N -0.648 119.667 120.570 -0.426 0.000 2.179 68 I HA -0.320 3.850 4.170 -0.001 0.000 0.242 68 I C 2.560 178.404 176.117 -0.455 0.000 1.088 68 I CA 1.953 62.949 61.300 -0.506 0.000 1.357 68 I CB -0.213 37.374 38.000 -0.689 0.000 1.051 68 I HN 0.280 8.490 8.210 -0.000 0.000 0.409 69 M N -0.091 119.256 119.600 -0.420 0.000 2.159 69 M HA -0.206 4.274 4.480 -0.001 0.000 0.263 69 M C 2.434 178.609 176.300 -0.209 0.000 1.063 69 M CA 1.901 57.026 55.300 -0.290 0.000 1.110 69 M CB -0.458 32.069 32.600 -0.123 0.000 1.374 69 M HN 0.318 8.608 8.290 -0.000 0.000 0.411 70 A N 0.111 122.797 122.820 -0.224 0.000 1.930 70 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 70 A C 1.899 179.325 177.584 -0.263 0.000 1.175 70 A CA 1.594 53.469 52.037 -0.269 0.000 0.627 70 A CB -0.538 18.251 19.000 -0.352 0.000 0.815 70 A HN 0.515 8.665 8.150 -0.000 0.000 0.443 71 E N -0.290 119.759 120.200 -0.252 0.000 2.152 71 E HA -0.026 4.324 4.350 -0.001 0.000 0.192 71 E C 1.879 178.366 176.600 -0.189 0.000 0.983 71 E CA 0.612 56.880 56.400 -0.221 0.000 0.818 71 E CB -0.162 29.411 29.700 -0.212 0.000 0.758 71 E HN 0.594 8.954 8.360 -0.000 0.000 0.467 72 L N 0.411 121.517 121.223 -0.195 0.000 2.056 72 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 72 L C 2.550 179.349 176.870 -0.117 0.000 1.078 72 L CA 0.904 55.658 54.840 -0.143 0.000 0.749 72 L CB -0.436 41.536 42.059 -0.146 0.000 0.901 72 L HN 0.160 8.390 8.230 -0.000 0.000 0.433 73 A N -0.020 122.721 122.820 -0.131 0.000 1.972 73 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 73 A C 2.183 179.681 177.584 -0.142 0.000 1.169 73 A CA 2.146 54.117 52.037 -0.111 0.000 0.635 73 A CB -0.682 18.252 19.000 -0.109 0.000 0.810 73 A HN 0.518 8.668 8.150 -0.000 0.000 0.446 74 T N -3.408 111.032 114.554 -0.190 0.000 3.069 74 T HA 0.183 4.532 4.350 -0.001 0.000 0.252 74 T C 1.461 176.056 174.700 -0.174 0.000 1.053 74 T CA 0.607 62.572 62.100 -0.225 0.000 0.964 74 T CB 0.130 68.805 68.868 -0.322 0.000 1.005 74 T HN 0.473 8.713 8.240 -0.000 0.000 0.532 75 K N 2.313 122.634 120.400 -0.133 0.000 2.052 75 K HA -0.232 4.087 4.320 -0.001 0.000 0.215 75 K C 1.116 177.669 176.600 -0.078 0.000 1.053 75 K CA 2.200 58.429 56.287 -0.098 0.000 0.934 75 K CB -0.376 32.080 32.500 -0.074 0.000 0.717 75 K HN 0.496 8.746 8.250 -0.000 0.000 0.450 76 N N 0.200 118.859 118.700 -0.067 0.000 2.313 76 N HA 0.006 4.746 4.740 -0.001 0.000 0.207 76 N C -0.800 174.685 175.510 -0.041 0.000 1.141 76 N CA -0.434 52.592 53.050 -0.041 0.000 0.830 76 N CB 0.822 39.297 38.487 -0.020 0.000 1.008 76 N HN -0.009 8.371 8.380 -0.000 0.000 0.481 77 S N 0.416 116.062 115.700 -0.089 0.000 2.525 77 S HA 0.170 4.640 4.470 -0.001 0.000 0.278 77 S C 0.991 175.559 174.600 -0.054 0.000 1.234 77 S CA -0.702 57.437 58.200 -0.103 0.000 1.058 77 S CB 0.725 63.760 63.200 -0.275 0.000 0.983 77 S HN 0.092 8.402 8.310 -0.000 0.000 0.495 78 K N 3.739 124.180 120.400 0.068 0.000 2.155 78 K HA 0.040 4.360 4.320 -0.001 0.000 0.203 78 K C 1.438 178.148 176.600 0.183 0.000 1.052 78 K CA 1.074 57.440 56.287 0.130 0.000 0.948 78 K CB -0.093 32.521 32.500 0.189 0.000 0.728 78 K HN 0.860 9.110 8.250 -0.000 0.000 0.448 79 W N -0.962 120.313 121.300 -0.041 0.000 2.835 79 W HA 0.410 5.069 4.660 -0.001 0.000 0.278 79 W C -0.661 175.811 176.519 -0.079 0.000 1.075 79 W CA -0.373 56.950 57.345 -0.038 0.000 1.439 79 W CB -0.011 29.446 29.460 -0.006 0.000 0.927 79 W HN -0.299 7.881 8.180 -0.000 0.000 0.604 80 V N 4.473 123.866 119.914 -0.869 0.000 2.432 80 V HA 0.247 4.367 4.120 -0.001 0.000 0.275 80 V C 0.224 175.984 176.094 -0.557 0.000 1.043 80 V CA -0.163 61.562 62.300 -0.959 0.000 0.925 80 V CB 0.873 31.859 31.823 -1.395 0.000 0.985 80 V HN 0.168 8.358 8.190 -0.000 0.000 0.466 81 E N 4.152 124.095 120.200 -0.428 0.000 2.431 81 E HA 0.774 5.123 4.350 -0.001 0.000 0.268 81 E C -1.786 174.648 176.600 -0.275 0.000 0.953 81 E CA -0.911 55.317 56.400 -0.287 0.000 0.810 81 E CB 2.395 31.997 29.700 -0.162 0.000 1.369 81 E HN 0.252 8.612 8.360 -0.000 0.000 0.440 82 V N 0.952 120.743 119.914 -0.204 0.000 2.513 82 V HA 0.314 4.433 4.120 -0.001 0.000 0.299 82 V C -0.643 175.408 176.094 -0.071 0.000 1.035 82 V CA -0.696 61.497 62.300 -0.178 0.000 0.889 82 V CB 1.515 33.215 31.823 -0.205 0.000 0.988 82 V HN 0.697 8.887 8.190 -0.000 0.000 0.440 83 D N 2.660 123.057 120.400 -0.006 0.000 2.408 83 D HA 0.225 4.865 4.640 -0.001 0.000 0.243 83 D C 0.774 177.144 176.300 0.115 0.000 1.075 83 D CA -0.177 53.893 54.000 0.116 0.000 0.832 83 D CB 2.463 43.439 40.800 0.292 0.000 1.162 83 D HN 0.692 9.062 8.370 -0.000 0.000 0.515 84 T N 0.580 115.193 114.554 0.099 0.000 3.107 84 T HA -0.026 4.324 4.350 -0.001 0.000 0.249 84 T C 1.590 176.332 174.700 0.070 0.000 1.096 84 T CA -0.407 61.727 62.100 0.057 0.000 1.012 84 T CB -0.341 68.539 68.868 0.019 0.000 0.977 84 T HN 0.526 8.766 8.240 -0.000 0.000 0.527 85 W N 2.350 123.633 121.300 -0.030 0.000 2.305 85 W HA -0.138 4.521 4.660 -0.001 0.000 0.308 85 W C 1.895 178.326 176.519 -0.147 0.000 1.226 85 W CA 1.597 58.863 57.345 -0.131 0.000 1.253 85 W CB -0.137 29.137 29.460 -0.309 0.000 1.146 85 W HN 0.352 8.532 8.180 -0.000 0.000 0.507 86 E N -0.517 119.602 120.200 -0.135 0.000 2.072 86 E HA -0.200 4.149 4.350 -0.001 0.000 0.190 86 E C 2.417 178.853 176.600 -0.274 0.000 0.982 86 E CA 1.740 57.952 56.400 -0.313 0.000 0.803 86 E CB -0.353 29.310 29.700 -0.062 0.000 0.755 86 E HN 0.332 8.692 8.360 -0.000 0.000 0.453 87 S N 0.873 116.494 115.700 -0.132 0.000 2.400 87 S HA -0.130 4.339 4.470 -0.001 0.000 0.232 87 S C 1.812 176.339 174.600 -0.121 0.000 1.025 87 S CA 0.829 58.980 58.200 -0.082 0.000 0.993 87 S CB -0.391 62.792 63.200 -0.029 0.000 0.808 87 S HN 0.202 8.512 8.310 -0.000 0.000 0.478 88 L N 0.915 122.022 121.223 -0.193 0.000 2.627 88 L HA 0.217 4.557 4.340 -0.001 0.000 0.232 88 L C 0.315 177.008 176.870 -0.294 0.000 1.150 88 L CA -0.011 54.710 54.840 -0.198 0.000 0.917 88 L CB -0.317 41.645 42.059 -0.162 0.000 1.104 88 L HN 0.270 8.500 8.230 -0.000 0.000 0.445 89 Q N 0.519 120.092 119.800 -0.378 0.000 2.278 89 Q HA 0.182 4.521 4.340 -0.001 0.000 0.257 89 Q C 0.596 176.471 176.000 -0.209 0.000 0.928 89 Q CA -0.136 55.431 55.803 -0.394 0.000 0.932 89 Q CB 1.927 30.299 28.738 -0.610 0.000 1.221 89 Q HN 0.169 8.439 8.270 -0.000 0.000 0.434 90 K N 0.870 121.179 120.400 -0.152 0.000 2.147 90 K HA -0.059 4.261 4.320 -0.001 0.000 0.205 90 K C 0.137 176.709 176.600 -0.047 0.000 1.049 90 K CA 0.956 57.196 56.287 -0.079 0.000 0.936 90 K CB 0.438 32.902 32.500 -0.060 0.000 0.722 90 K HN 0.441 8.691 8.250 -0.000 0.000 0.446 91 E N 0.078 120.238 120.200 -0.067 0.000 2.166 91 E HA 0.041 4.391 4.350 -0.001 0.000 0.275 91 E C -1.076 175.511 176.600 -0.021 0.000 0.941 91 E CA -0.803 55.589 56.400 -0.013 0.000 0.784 91 E CB 0.843 30.529 29.700 -0.023 0.000 1.115 91 E HN 0.046 8.406 8.360 -0.000 0.000 0.399 92 W N 3.398 124.667 121.300 -0.052 0.000 2.343 92 W HA -0.023 4.636 4.660 -0.001 0.000 0.337 92 W C -0.265 176.217 176.519 -0.062 0.000 1.320 92 W CA 0.360 57.682 57.345 -0.038 0.000 1.290 92 W CB 0.399 29.887 29.460 0.046 0.000 1.206 92 W HN 0.148 8.328 8.180 -0.000 0.000 0.565 93 K N 4.616 124.332 120.400 -1.140 0.000 2.185 93 K HA 0.218 4.537 4.320 -0.001 0.000 0.269 93 K C -0.637 175.049 176.600 -1.523 0.000 0.987 93 K CA -0.565 55.097 56.287 -1.041 0.000 0.865 93 K CB 1.084 33.264 32.500 -0.534 0.000 1.090 93 K HN 0.395 8.645 8.250 -0.000 0.000 0.450 94 E N 0.642 120.149 120.200 -1.155 0.000 2.384 94 E HA 0.007 4.357 4.350 -0.001 0.000 0.266 94 E C 0.514 176.918 176.600 -0.327 0.000 1.012 94 E CA 0.376 56.306 56.400 -0.782 0.000 0.901 94 E CB 0.595 30.086 29.700 -0.348 0.000 0.967 94 E HN 0.543 8.903 8.360 -0.000 0.000 0.435 95 T N 2.710 117.176 114.554 -0.146 0.000 2.760 95 T HA -0.226 4.124 4.350 -0.001 0.000 0.269 95 T C 1.619 176.344 174.700 0.042 0.000 1.047 95 T CA 0.961 63.081 62.100 0.034 0.000 1.139 95 T CB -0.127 68.892 68.868 0.252 0.000 0.855 95 T HN 0.334 8.574 8.240 -0.000 0.000 0.471 96 L N 1.263 122.520 121.223 0.056 0.000 2.012 96 L HA -0.078 4.262 4.340 -0.001 0.000 0.210 96 L C 2.185 179.021 176.870 -0.057 0.000 1.073 96 L CA 1.850 56.694 54.840 0.007 0.000 0.748 96 L CB -0.619 41.483 42.059 0.071 0.000 0.891 96 L HN 0.082 8.312 8.230 -0.000 0.000 0.431 97 K N -1.090 119.292 120.400 -0.029 0.000 2.063 97 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 97 K C 1.913 178.537 176.600 0.040 0.000 1.048 97 K CA 1.771 58.063 56.287 0.008 0.000 0.928 97 K CB -0.382 32.131 32.500 0.021 0.000 0.713 97 K HN 0.297 8.547 8.250 -0.000 0.000 0.442 98 V N 1.575 121.544 119.914 0.092 0.000 2.255 98 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 98 V C 2.208 178.377 176.094 0.124 0.000 1.051 98 V CA 1.707 64.126 62.300 0.200 0.000 1.018 98 V CB -0.497 31.455 31.823 0.216 0.000 0.641 98 V HN 0.259 8.449 8.190 -0.000 0.000 0.445 99 L N -0.367 120.824 121.223 -0.053 0.000 2.043 99 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 99 L C 2.769 179.475 176.870 -0.274 0.000 1.075 99 L CA 2.105 56.784 54.840 -0.267 0.000 0.752 99 L CB -0.560 41.077 42.059 -0.703 0.000 0.891 99 L HN 0.266 8.496 8.230 -0.000 0.000 0.432 100 R N -0.991 119.383 120.500 -0.211 0.000 2.081 100 R HA -0.235 4.104 4.340 -0.001 0.000 0.235 100 R C 2.409 178.669 176.300 -0.066 0.000 1.131 100 R CA 1.748 57.830 56.100 -0.030 0.000 0.960 100 R CB -0.276 30.039 30.300 0.025 0.000 0.856 100 R HN 0.409 8.679 8.270 -0.000 0.000 0.436 101 H N -0.352 118.548 119.070 -0.283 0.000 2.319 101 H HA -0.148 4.407 4.556 -0.001 0.000 0.299 101 H C 1.858 176.903 175.328 -0.471 0.000 1.092 101 H CA 2.345 58.060 56.048 -0.556 0.000 1.302 101 H CB -0.095 28.985 29.762 -1.135 0.000 1.373 101 H HN 0.331 8.611 8.280 -0.000 0.000 0.497 102 H N -0.866 118.078 119.070 -0.210 0.000 2.395 102 H HA -0.088 4.467 4.556 -0.001 0.000 0.299 102 H C 2.206 177.463 175.328 -0.118 0.000 1.070 102 H CA 1.333 57.280 56.048 -0.168 0.000 1.356 102 H CB -0.001 29.742 29.762 -0.031 0.000 1.401 102 H HN 0.401 8.681 8.280 -0.000 0.000 0.524 103 Q N 1.487 121.331 119.800 0.074 0.000 2.030 103 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 103 Q C 2.038 178.041 176.000 0.006 0.000 0.986 103 Q CA 1.747 57.615 55.803 0.108 0.000 0.843 103 Q CB -0.055 28.846 28.738 0.271 0.000 0.904 103 Q HN 0.524 8.794 8.270 -0.000 0.000 0.420 104 E N 0.075 120.236 120.200 -0.065 0.000 2.085 104 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 104 E C 1.952 178.452 176.600 -0.167 0.000 0.994 104 E CA 1.214 57.546 56.400 -0.113 0.000 0.801 104 E CB -0.207 29.403 29.700 -0.151 0.000 0.743 104 E HN 0.325 8.685 8.360 -0.000 0.000 0.453 105 K N 1.291 121.521 120.400 -0.283 0.000 2.001 105 K HA -0.194 4.125 4.320 -0.001 0.000 0.214 105 K C 2.238 178.762 176.600 -0.127 0.000 1.050 105 K CA 1.274 57.394 56.287 -0.279 0.000 0.934 105 K CB -0.230 32.020 32.500 -0.416 0.000 0.718 105 K HN 0.044 8.294 8.250 -0.000 0.000 0.443 106 L N 1.167 122.351 121.223 -0.066 0.000 2.089 106 L HA -0.213 4.126 4.340 -0.001 0.000 0.213 106 L C 1.212 178.071 176.870 -0.018 0.000 1.079 106 L CA 1.435 56.267 54.840 -0.013 0.000 0.758 106 L CB -0.418 41.658 42.059 0.029 0.000 0.891 106 L HN 0.299 8.529 8.230 -0.000 0.000 0.433 107 E N 0.108 120.292 120.200 -0.027 0.000 2.651 107 E HA 0.309 4.659 4.350 -0.001 0.000 0.236 107 E C 0.095 176.675 176.600 -0.034 0.000 1.422 107 E CA 0.017 56.403 56.400 -0.023 0.000 1.534 107 E CB -0.059 29.628 29.700 -0.020 0.000 1.381 107 E HN 0.445 8.805 8.360 -0.000 0.000 0.435 148 V N 2.862 122.786 119.914 0.017 0.000 2.398 148 V HA 0.487 4.606 4.120 -0.001 0.000 0.286 148 V C -2.066 174.052 176.094 0.040 0.000 1.026 148 V CA -1.468 60.846 62.300 0.024 0.000 0.868 148 V CB 1.245 33.079 31.823 0.019 0.000 0.982 148 V HN 0.844 9.034 8.190 -0.000 0.000 0.443 149 P HA 0.034 4.454 4.420 -0.000 0.000 0.266 149 P C -0.393 176.959 177.300 0.086 0.000 1.186 149 P CA 0.213 63.356 63.100 0.071 0.000 0.767 149 P CB 0.431 32.176 31.700 0.074 0.000 0.820 150 K N 1.409 121.872 120.400 0.105 0.000 2.156 150 K HA 0.377 4.696 4.320 -0.001 0.000 0.271 150 K C -0.716 175.969 176.600 0.143 0.000 0.995 150 K CA -0.797 55.564 56.287 0.124 0.000 0.890 150 K CB 1.388 33.967 32.500 0.132 0.000 1.073 150 K HN 0.167 8.417 8.250 -0.000 0.000 0.454 151 V N 4.372 124.397 119.914 0.185 0.000 2.465 151 V HA 0.273 4.392 4.120 -0.001 0.000 0.279 151 V C -0.002 176.207 176.094 0.191 0.000 1.045 151 V CA -0.416 61.987 62.300 0.172 0.000 0.938 151 V CB 1.153 33.080 31.823 0.174 0.000 0.986 151 V HN 0.620 8.810 8.190 -0.000 0.000 0.467 152 K N 3.829 124.301 120.400 0.121 0.000 2.422 152 K HA 0.506 4.826 4.320 -0.001 0.000 0.251 152 K C -1.176 175.459 176.600 0.057 0.000 0.933 152 K CA -1.094 55.261 56.287 0.112 0.000 0.798 152 K CB 2.905 35.453 32.500 0.080 0.000 1.238 152 K HN 0.445 8.695 8.250 -0.000 0.000 0.428 153 L N 3.078 124.336 121.223 0.058 0.000 2.410 153 L HA 0.227 4.566 4.340 -0.001 0.000 0.273 153 L C -0.597 176.265 176.870 -0.014 0.000 1.144 153 L CA 0.141 54.999 54.840 0.031 0.000 0.863 153 L CB 0.163 42.261 42.059 0.065 0.000 1.140 153 L HN 0.526 8.756 8.230 -0.000 0.000 0.463 154 L N 6.374 127.562 121.223 -0.059 0.000 2.317 154 L HA 0.668 5.008 4.340 -0.001 0.000 0.281 154 L C -0.623 176.179 176.870 -0.113 0.000 1.024 154 L CA -0.434 54.322 54.840 -0.139 0.000 0.810 154 L CB 1.140 43.013 42.059 -0.309 0.000 1.240 154 L HN 1.039 9.269 8.230 -0.000 0.000 0.427 155 C N 1.439 120.666 119.300 -0.122 0.000 3.272 155 C HA 0.858 5.317 4.460 -0.001 0.000 0.363 155 C C 0.156 175.070 174.990 -0.126 0.000 1.514 155 C CA -0.400 58.557 59.018 -0.103 0.000 1.185 155 C CB 0.864 28.542 27.740 -0.104 0.000 1.716 155 C HN 0.892 9.122 8.230 -0.000 0.000 0.440 156 G N -0.629 108.097 108.800 -0.123 0.000 2.552 156 G HA2 0.660 4.619 3.960 -0.001 0.000 0.324 156 G HA3 0.660 4.619 3.960 -0.001 0.000 0.324 156 G C 0.863 175.649 174.900 -0.190 0.000 1.217 156 G CA -0.069 44.948 45.100 -0.139 0.000 0.989 156 G HN 1.868 10.158 8.290 -0.000 0.000 0.490 157 A N -0.194 122.508 122.820 -0.197 0.000 1.948 157 A HA -0.116 4.204 4.320 -0.001 0.000 0.220 157 A C 1.895 179.302 177.584 -0.295 0.000 1.177 157 A CA 2.473 54.360 52.037 -0.250 0.000 0.636 157 A CB -0.727 18.150 19.000 -0.205 0.000 0.815 157 A HN 0.704 8.854 8.150 -0.000 0.000 0.449 158 D N -0.413 119.861 120.400 -0.210 0.000 2.160 158 D HA -0.218 4.421 4.640 -0.001 0.000 0.189 158 D C 1.822 178.004 176.300 -0.197 0.000 1.003 158 D CA 1.795 55.690 54.000 -0.174 0.000 0.846 158 D CB -0.206 40.531 40.800 -0.105 0.000 0.949 158 D HN 0.423 8.793 8.370 -0.000 0.000 0.446 159 L N -0.452 120.659 121.223 -0.188 0.000 2.056 159 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 159 L C 2.241 178.818 176.870 -0.490 0.000 1.078 159 L CA 0.915 55.656 54.840 -0.164 0.000 0.749 159 L CB -0.313 41.697 42.059 -0.081 0.000 0.901 159 L HN 0.181 8.411 8.230 -0.000 0.000 0.433 160 L N 0.371 121.204 121.223 -0.651 0.000 1.990 160 L HA -0.275 4.064 4.340 -0.001 0.000 0.213 160 L C 2.317 178.532 176.870 -1.091 0.000 1.072 160 L CA 2.062 56.295 54.840 -1.011 0.000 0.755 160 L CB -0.684 40.979 42.059 -0.659 0.000 0.889 160 L HN 0.327 8.557 8.230 -0.000 0.000 0.432 161 E N -0.861 118.752 120.200 -0.980 0.000 2.268 161 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 161 E C 2.145 178.489 176.600 -0.427 0.000 0.995 161 E CA 1.005 56.706 56.400 -1.165 0.000 0.836 161 E CB -0.185 29.038 29.700 -0.795 0.000 0.763 161 E HN 0.731 9.091 8.360 -0.000 0.000 0.491 162 S N 0.365 115.923 115.700 -0.238 0.000 2.469 162 S HA -0.110 4.359 4.470 -0.001 0.000 0.238 162 S C 1.709 176.479 174.600 0.283 0.000 0.998 162 S CA 0.436 58.692 58.200 0.093 0.000 0.957 162 S CB -0.674 62.680 63.200 0.256 0.000 0.764 162 S HN 0.312 8.622 8.310 -0.000 0.000 0.514 163 F N 1.479 121.342 119.950 -0.145 0.000 2.236 163 F HA -0.108 4.419 4.527 -0.001 0.000 0.302 163 F C 2.665 178.556 175.800 0.150 0.000 1.073 163 F CA 0.524 58.426 58.000 -0.163 0.000 1.336 163 F CB -0.191 38.732 39.000 -0.128 0.000 1.040 163 F HN 0.441 8.741 8.300 -0.000 0.000 0.507 164 A N -0.243 122.838 122.820 0.435 0.000 2.238 164 A HA 0.170 4.490 4.320 -0.001 0.000 0.210 164 A C 0.746 178.472 177.584 0.236 0.000 1.179 164 A CA -0.005 52.229 52.037 0.329 0.000 0.827 164 A CB -0.459 18.773 19.000 0.386 0.000 0.856 164 A HN -0.009 8.141 8.150 -0.000 0.000 0.488 165 V N 2.310 122.372 119.914 0.247 0.000 2.540 165 V HA 0.094 4.214 4.120 -0.001 0.000 0.297 165 V C -2.264 173.932 176.094 0.171 0.000 1.024 165 V CA -1.004 61.406 62.300 0.184 0.000 1.105 165 V CB 0.460 32.394 31.823 0.186 0.000 0.938 165 V HN 0.273 8.463 8.190 -0.000 0.000 0.482 166 P HA 0.120 4.540 4.420 -0.000 0.000 0.262 166 P C 0.439 177.790 177.300 0.084 0.000 1.199 166 P CA 0.380 63.536 63.100 0.093 0.000 0.763 166 P CB 0.101 31.839 31.700 0.063 0.000 0.790 167 N N 0.285 119.041 118.700 0.094 0.000 2.965 167 N HA -0.184 4.556 4.740 -0.001 0.000 0.232 167 N C 0.658 176.218 175.510 0.083 0.000 0.913 167 N CA 0.625 53.721 53.050 0.076 0.000 0.981 167 N CB -1.424 37.085 38.487 0.038 0.000 1.077 167 N HN 0.287 8.667 8.380 -0.000 0.000 0.589 168 L N -0.492 120.813 121.223 0.138 0.000 1.988 168 L HA 0.082 4.421 4.340 -0.001 0.000 0.207 168 L C 0.385 177.319 176.870 0.106 0.000 1.071 168 L CA 1.821 56.733 54.840 0.120 0.000 0.744 168 L CB -0.083 42.133 42.059 0.262 0.000 0.893 168 L HN 0.274 8.504 8.230 -0.000 0.000 0.433 169 W N 0.245 121.608 121.300 0.106 0.000 2.606 169 W HA 0.439 5.098 4.660 -0.001 0.000 0.332 169 W C -0.052 176.486 176.519 0.032 0.000 1.052 169 W CA -0.841 56.557 57.345 0.088 0.000 1.223 169 W CB 0.661 30.137 29.460 0.026 0.000 1.383 169 W HN -0.265 7.915 8.180 -0.000 0.000 0.524 170 K N 1.588 122.135 120.400 0.245 0.000 2.339 170 K HA 0.055 4.374 4.320 -0.001 0.000 0.286 170 K C 1.352 178.012 176.600 0.100 0.000 1.050 170 K CA 0.229 56.602 56.287 0.144 0.000 0.956 170 K CB 1.180 33.751 32.500 0.117 0.000 0.990 170 K HN 0.632 8.882 8.250 -0.000 0.000 0.475 171 S N 3.192 118.926 115.700 0.057 0.000 2.372 171 S HA -0.257 4.212 4.470 -0.001 0.000 0.227 171 S C 1.323 175.917 174.600 -0.009 0.000 1.044 171 S CA 1.774 59.976 58.200 0.004 0.000 1.050 171 S CB -0.266 62.941 63.200 0.012 0.000 0.901 171 S HN 0.678 8.988 8.310 -0.000 0.000 0.447 172 E N 1.890 122.101 120.200 0.019 0.000 2.209 172 E HA -0.093 4.257 4.350 -0.001 0.000 0.196 172 E C 1.611 178.223 176.600 0.021 0.000 0.993 172 E CA 1.367 57.779 56.400 0.019 0.000 0.819 172 E CB -0.450 29.270 29.700 0.032 0.000 0.745 172 E HN 0.572 8.932 8.360 -0.000 0.000 0.477 173 D N 0.451 120.876 120.400 0.042 0.000 2.091 173 D HA -0.057 4.582 4.640 -0.001 0.000 0.199 173 D C 1.969 178.271 176.300 0.003 0.000 0.980 173 D CA 0.714 54.759 54.000 0.075 0.000 0.831 173 D CB -0.250 40.649 40.800 0.164 0.000 0.987 173 D HN 0.154 8.524 8.370 -0.000 0.000 0.460 174 I N 1.011 121.495 120.570 -0.142 0.000 2.113 174 I HA -0.342 3.828 4.170 -0.001 0.000 0.242 174 I C 2.288 178.288 176.117 -0.194 0.000 1.064 174 I CA 1.401 62.450 61.300 -0.419 0.000 1.320 174 I CB -0.590 37.008 38.000 -0.670 0.000 1.028 174 I HN 0.035 8.245 8.210 -0.000 0.000 0.406 175 T N 0.207 114.685 114.554 -0.127 0.000 2.635 175 T HA -0.282 4.067 4.350 -0.001 0.000 0.267 175 T C 1.845 176.468 174.700 -0.128 0.000 1.040 175 T CA 1.631 63.663 62.100 -0.114 0.000 1.156 175 T CB -0.387 68.449 68.868 -0.053 0.000 0.863 175 T HN 0.444 8.684 8.240 -0.000 0.000 0.430 176 Q N 0.036 119.815 119.800 -0.035 0.000 2.124 176 Q HA 0.000 4.340 4.340 -0.001 0.000 0.202 176 Q C 2.410 178.481 176.000 0.117 0.000 0.977 176 Q CA 1.053 56.872 55.803 0.026 0.000 0.850 176 Q CB -0.376 28.419 28.738 0.095 0.000 0.901 176 Q HN 0.537 8.807 8.270 -0.000 0.000 0.429 177 I N 0.478 121.128 120.570 0.134 0.000 2.113 177 I HA -0.251 3.919 4.170 -0.001 0.000 0.238 177 I C 2.453 178.661 176.117 0.152 0.000 1.070 177 I CA 1.284 62.717 61.300 0.223 0.000 1.332 177 I CB -0.502 37.598 38.000 0.167 0.000 1.044 177 I HN 0.136 8.346 8.210 -0.000 0.000 0.402 178 V N -0.835 119.098 119.914 0.032 0.000 2.515 178 V HA -0.133 3.987 4.120 -0.001 0.000 0.250 178 V C 2.385 178.402 176.094 -0.129 0.000 1.058 178 V CA 1.611 63.904 62.300 -0.012 0.000 1.064 178 V CB -1.236 30.584 31.823 -0.006 0.000 0.675 178 V HN 0.343 8.533 8.190 -0.000 0.000 0.461 179 A N 1.095 123.728 122.820 -0.311 0.000 1.878 179 A HA 0.002 4.321 4.320 -0.001 0.000 0.213 179 A C 2.042 179.543 177.584 -0.137 0.000 1.192 179 A CA 1.485 53.314 52.037 -0.347 0.000 0.619 179 A CB -0.597 18.090 19.000 -0.522 0.000 0.837 179 A HN 0.589 8.739 8.150 -0.000 0.000 0.446 180 N N -1.961 116.646 118.700 -0.154 0.000 2.405 180 N HA 0.073 4.812 4.740 -0.001 0.000 0.175 180 N C 0.948 176.157 175.510 -0.501 0.000 1.051 180 N CA 1.007 53.864 53.050 -0.322 0.000 0.899 180 N CB -0.095 38.129 38.487 -0.438 0.000 1.000 180 N HN 0.660 9.040 8.380 -0.000 0.000 0.451 181 Y N -0.131 120.182 120.300 0.021 0.000 2.808 181 Y HA 0.480 5.030 4.550 -0.001 0.000 0.244 181 Y C 1.395 177.329 175.900 0.055 0.000 1.033 181 Y CA 0.426 58.552 58.100 0.044 0.000 1.415 181 Y CB 0.258 38.750 38.460 0.052 0.000 1.420 181 Y HN 0.006 8.286 8.280 -0.000 0.000 0.484 182 G N 0.385 109.318 108.800 0.222 0.000 2.375 182 G HA2 0.221 4.180 3.960 -0.001 0.000 0.663 182 G HA3 0.221 4.180 3.960 -0.001 0.000 0.663 182 G C -2.246 172.733 174.900 0.131 0.000 1.391 182 G CA -0.778 44.412 45.100 0.150 0.000 0.949 182 G HN 0.272 8.562 8.290 -0.000 0.000 0.646 183 L N 0.885 122.165 121.223 0.095 0.000 2.476 183 L HA 0.794 5.133 4.340 -0.001 0.000 0.269 183 L C -0.773 176.121 176.870 0.040 0.000 0.965 183 L CA -1.025 53.847 54.840 0.052 0.000 0.845 183 L CB 1.540 43.618 42.059 0.033 0.000 1.259 183 L HN 0.560 8.790 8.230 -0.000 0.000 0.403 184 I N 5.066 125.637 120.570 0.002 0.000 2.359 184 I HA 0.267 4.437 4.170 -0.001 0.000 0.284 184 I C -0.523 175.530 176.117 -0.108 0.000 1.018 184 I CA -0.392 60.888 61.300 -0.034 0.000 1.173 184 I CB 1.396 39.361 38.000 -0.059 0.000 1.326 184 I HN 0.549 8.759 8.210 -0.000 0.000 0.462 185 C N 8.029 127.249 119.300 -0.133 0.000 2.255 185 C HA 0.603 5.062 4.460 -0.001 0.000 0.326 185 C C 0.201 175.073 174.990 -0.196 0.000 1.258 185 C CA -0.300 58.618 59.018 -0.167 0.000 1.676 185 C CB 0.084 27.721 27.740 -0.171 0.000 2.314 185 C HN 0.551 8.781 8.230 -0.000 0.000 0.509 186 V N 6.324 126.127 119.914 -0.186 0.000 2.481 186 V HA 0.794 4.913 4.120 -0.001 0.000 0.286 186 V C 0.485 176.467 176.094 -0.186 0.000 1.042 186 V CA 0.244 62.427 62.300 -0.195 0.000 0.928 186 V CB 1.724 33.453 31.823 -0.157 0.000 0.986 186 V HN 1.017 9.207 8.190 -0.000 0.000 0.462 187 T N 3.746 118.171 114.554 -0.215 0.000 2.831 187 T HA 0.336 4.685 4.350 -0.001 0.000 0.333 187 T C 0.264 174.816 174.700 -0.245 0.000 1.684 187 T CA -0.604 61.377 62.100 -0.199 0.000 1.049 187 T CB 1.450 70.211 68.868 -0.179 0.000 1.518 187 T HN 0.583 8.823 8.240 -0.000 0.000 0.491 188 R N 0.964 121.346 120.500 -0.196 0.000 2.254 188 R HA 0.449 4.789 4.340 -0.001 0.000 0.195 188 R C 0.787 176.987 176.300 -0.166 0.000 0.957 188 R CA 0.663 56.642 56.100 -0.202 0.000 1.024 188 R CB 0.437 30.667 30.300 -0.117 0.000 0.952 188 R HN 0.503 8.773 8.270 -0.000 0.000 0.484 189 A N 0.443 123.182 122.820 -0.134 0.000 2.938 189 A HA 0.409 4.728 4.320 -0.001 0.000 0.344 189 A C 0.803 178.330 177.584 -0.095 0.000 1.142 189 A CA -0.553 51.432 52.037 -0.087 0.000 0.841 189 A CB 0.632 19.598 19.000 -0.057 0.000 1.083 189 A HN 0.284 8.434 8.150 -0.000 0.000 0.479 190 G N 0.251 108.980 108.800 -0.120 0.000 2.712 190 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.212 190 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.212 190 G C 1.133 176.016 174.900 -0.028 0.000 1.142 190 G CA 0.643 45.681 45.100 -0.103 0.000 0.789 190 G HN 0.626 8.916 8.290 -0.000 0.000 0.535 191 N N 0.534 119.233 118.700 -0.002 0.000 2.416 191 N HA -0.066 4.674 4.740 -0.001 0.000 0.177 191 N C 1.025 176.568 175.510 0.055 0.000 1.036 191 N CA 0.670 53.742 53.050 0.036 0.000 0.901 191 N CB 0.177 38.688 38.487 0.040 0.000 0.976 191 N HN 0.070 8.450 8.380 -0.000 0.000 0.444 192 D N 0.321 120.742 120.400 0.036 0.000 2.194 192 D HA 0.060 4.700 4.640 -0.001 0.000 0.204 192 D C 1.712 178.065 176.300 0.088 0.000 0.964 192 D CA 0.589 54.623 54.000 0.057 0.000 0.846 192 D CB -0.046 40.761 40.800 0.012 0.000 0.962 192 D HN 0.288 8.658 8.370 -0.000 0.000 0.490 193 A N 0.321 123.162 122.820 0.035 0.000 1.930 193 A HA -0.104 4.216 4.320 -0.001 0.000 0.215 193 A C 2.046 179.710 177.584 0.133 0.000 1.176 193 A CA 0.820 52.883 52.037 0.043 0.000 0.632 193 A CB -0.213 18.755 19.000 -0.053 0.000 0.819 193 A HN 0.008 8.158 8.150 -0.000 0.000 0.445 194 Q N -0.044 119.820 119.800 0.107 0.000 2.084 194 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 194 Q C 2.044 178.184 176.000 0.233 0.000 0.978 194 Q CA 1.891 57.782 55.803 0.147 0.000 0.844 194 Q CB -0.308 28.494 28.738 0.107 0.000 0.898 194 Q HN 0.789 9.059 8.270 -0.000 0.000 0.426 195 K N -0.419 120.110 120.400 0.214 0.000 2.103 195 K HA -0.103 4.217 4.320 -0.001 0.000 0.204 195 K C 1.981 178.748 176.600 0.278 0.000 1.052 195 K CA 0.592 57.036 56.287 0.260 0.000 0.945 195 K CB -0.168 32.442 32.500 0.183 0.000 0.722 195 K HN 0.071 8.321 8.250 -0.000 0.000 0.443 196 F N 1.611 121.626 119.950 0.108 0.000 2.186 196 F HA -0.095 4.433 4.527 0.000 0.000 0.299 196 F C 1.685 177.541 175.800 0.094 0.000 1.090 196 F CA 1.224 59.267 58.000 0.071 0.000 1.307 196 F CB 0.041 39.053 39.000 0.019 0.000 1.019 196 F HN -0.041 8.259 8.300 -0.000 0.000 0.489 197 I N -0.856 119.875 120.570 0.269 0.000 2.202 197 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 197 I C 2.261 178.525 176.117 0.245 0.000 1.091 197 I CA 1.448 62.882 61.300 0.222 0.000 1.368 197 I CB -0.770 37.373 38.000 0.239 0.000 1.058 197 I HN 0.222 8.432 8.210 -0.000 0.000 0.410 198 Y N 2.129 122.567 120.300 0.229 0.000 2.333 198 Y HA -0.196 4.353 4.550 -0.001 0.000 0.290 198 Y C 2.017 177.902 175.900 -0.025 0.000 1.144 198 Y CA 1.446 59.660 58.100 0.190 0.000 1.228 198 Y CB -0.325 38.186 38.460 0.086 0.000 0.985 198 Y HN 0.201 8.481 8.280 -0.000 0.000 0.542 199 E N 0.027 120.023 120.200 -0.340 0.000 2.494 199 E HA 0.032 4.381 4.350 -0.001 0.000 0.193 199 E C 0.061 176.427 176.600 -0.391 0.000 1.074 199 E CA 0.415 56.535 56.400 -0.466 0.000 0.867 199 E CB 0.089 29.633 29.700 -0.261 0.000 0.924 199 E HN 0.215 8.575 8.360 -0.000 0.000 0.502 200 S N 0.422 115.940 115.700 -0.302 0.000 2.647 200 S HA 0.125 4.595 4.470 -0.001 0.000 0.300 200 S C 0.253 174.814 174.600 -0.064 0.000 1.129 200 S CA -0.845 57.229 58.200 -0.210 0.000 1.029 200 S CB 1.438 64.487 63.200 -0.251 0.000 1.007 200 S HN -0.136 8.174 8.310 -0.000 0.000 0.484 201 D N 3.479 123.845 120.400 -0.057 0.000 2.104 201 D HA -0.117 4.523 4.640 -0.001 0.000 0.194 201 D C 2.129 178.492 176.300 0.106 0.000 0.994 201 D CA 1.366 55.382 54.000 0.027 0.000 0.830 201 D CB -0.318 40.478 40.800 -0.006 0.000 0.959 201 D HN 0.449 8.819 8.370 -0.000 0.000 0.452 202 V N 1.235 121.198 119.914 0.081 0.000 2.295 202 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 202 V C 2.693 178.916 176.094 0.216 0.000 1.049 202 V CA 1.212 63.601 62.300 0.149 0.000 1.024 202 V CB -0.605 31.273 31.823 0.093 0.000 0.648 202 V HN 0.179 8.369 8.190 -0.000 0.000 0.447 203 L N -1.019 120.297 121.223 0.155 0.000 2.005 203 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 203 L C 2.509 179.464 176.870 0.141 0.000 1.072 203 L CA 2.094 57.034 54.840 0.167 0.000 0.744 203 L CB -0.697 41.459 42.059 0.162 0.000 0.895 203 L HN 0.548 8.778 8.230 -0.000 0.000 0.433 204 W N 2.276 123.579 121.300 0.005 0.000 2.335 204 W HA -0.280 4.380 4.660 0.000 0.000 0.311 204 W C 2.428 178.930 176.519 -0.030 0.000 1.213 204 W CA 2.031 59.372 57.345 -0.005 0.000 1.274 204 W CB -0.178 29.257 29.460 -0.042 0.000 1.148 204 W HN 0.185 8.365 8.180 -0.000 0.000 0.498 205 K N -0.562 119.855 120.400 0.028 0.000 2.211 205 K HA -0.222 4.097 4.320 -0.001 0.000 0.204 205 K C 1.061 177.368 176.600 -0.487 0.000 1.047 205 K CA 1.527 57.693 56.287 -0.202 0.000 0.935 205 K CB -0.504 31.883 32.500 -0.189 0.000 0.728 205 K HN 0.198 8.448 8.250 -0.000 0.000 0.452 206 H N -0.191 118.811 119.070 -0.113 0.000 2.469 206 H HA 0.078 4.634 4.556 -0.001 0.000 0.286 206 H C 1.171 176.397 175.328 -0.170 0.000 1.106 206 H CA -0.036 55.945 56.048 -0.112 0.000 1.055 206 H CB 0.543 30.279 29.762 -0.044 0.000 1.618 206 H HN 0.316 8.596 8.280 -0.000 0.000 0.559 207 R N 0.967 121.322 120.500 -0.242 0.000 2.170 207 R HA -0.146 4.193 4.340 -0.001 0.000 0.242 207 R C 1.650 177.799 176.300 -0.251 0.000 1.145 207 R CA 1.874 57.796 56.100 -0.298 0.000 0.984 207 R CB -0.323 29.619 30.300 -0.597 0.000 0.869 207 R HN 0.152 8.422 8.270 -0.000 0.000 0.455 208 S N -0.126 115.450 115.700 -0.206 0.000 2.447 208 S HA -0.115 4.355 4.470 -0.001 0.000 0.233 208 S C 1.369 175.853 174.600 -0.193 0.000 1.006 208 S CA 1.301 59.409 58.200 -0.152 0.000 0.957 208 S CB -0.374 62.783 63.200 -0.072 0.000 0.773 208 S HN 0.601 8.911 8.310 -0.000 0.000 0.507 209 N N 0.190 118.804 118.700 -0.143 0.000 2.270 209 N HA 0.361 5.101 4.740 -0.001 0.000 0.198 209 N C -0.812 174.576 175.510 -0.204 0.000 1.117 209 N CA -0.075 52.909 53.050 -0.110 0.000 0.845 209 N CB 0.263 38.768 38.487 0.031 0.000 0.980 209 N HN 0.433 8.813 8.380 -0.000 0.000 0.486 210 I N 1.274 121.649 120.570 -0.325 0.000 2.411 210 I HA 0.198 4.368 4.170 -0.001 0.000 0.284 210 I C -0.701 175.217 176.117 -0.331 0.000 1.012 210 I CA -0.659 60.510 61.300 -0.218 0.000 1.119 210 I CB 1.054 39.001 38.000 -0.088 0.000 1.261 210 I HN 0.048 8.258 8.210 -0.000 0.000 0.448 211 H N 5.956 124.999 119.070 -0.045 0.000 2.581 211 H HA 0.328 4.883 4.556 -0.000 0.000 0.308 211 H C -0.462 174.728 175.328 -0.230 0.000 1.040 211 H CA -0.630 55.370 56.048 -0.079 0.000 1.231 211 H CB 2.031 31.798 29.762 0.009 0.000 1.396 211 H HN 0.230 8.510 8.280 -0.000 0.000 0.467 212 V N 4.933 124.769 119.914 -0.129 0.000 2.432 212 V HA 0.061 4.181 4.120 -0.001 0.000 0.271 212 V C 0.475 176.349 176.094 -0.367 0.000 1.046 212 V CA -0.493 61.688 62.300 -0.198 0.000 0.945 212 V CB 1.291 33.044 31.823 -0.116 0.000 0.992 212 V HN 0.438 8.628 8.190 -0.000 0.000 0.471 213 V N 5.847 125.501 119.914 -0.434 0.000 2.384 213 V HA 0.370 4.490 4.120 -0.001 0.000 0.287 213 V C 0.207 176.077 176.094 -0.373 0.000 1.020 213 V CA -0.948 61.038 62.300 -0.524 0.000 0.850 213 V CB 1.592 33.094 31.823 -0.535 0.000 0.987 213 V HN 0.845 9.035 8.190 -0.000 0.000 0.436 214 N N 3.646 122.112 118.700 -0.390 0.000 2.530 214 N HA 0.169 4.908 4.740 -0.001 0.000 0.273 214 N C -0.231 174.870 175.510 -0.680 0.000 1.173 214 N CA -0.141 52.512 53.050 -0.662 0.000 0.967 214 N CB 1.699 39.548 38.487 -1.063 0.000 1.109 214 N HN 0.739 9.119 8.380 -0.000 0.000 0.453 215 E N 1.556 121.362 120.200 -0.656 0.000 2.070 215 E HA 0.131 4.480 4.350 -0.001 0.000 0.261 215 E C -0.065 176.314 176.600 -0.369 0.000 0.926 215 E CA -0.530 55.644 56.400 -0.377 0.000 0.760 215 E CB 0.377 29.941 29.700 -0.228 0.000 1.133 215 E HN 0.585 8.945 8.360 -0.000 0.000 0.420 216 W N 3.403 124.707 121.300 0.007 0.000 2.476 216 W HA 0.115 4.774 4.660 -0.001 0.000 0.281 216 W C 0.425 176.948 176.519 0.007 0.000 1.230 216 W CA -0.646 56.704 57.345 0.008 0.000 1.287 216 W CB 0.334 29.802 29.460 0.014 0.000 1.108 216 W HN 0.420 8.600 8.180 -0.000 0.000 0.567 217 I N 1.741 122.423 120.570 0.188 0.000 2.406 217 I HA 0.083 4.253 4.170 -0.001 0.000 0.293 217 I C 0.732 176.887 176.117 0.063 0.000 1.101 217 I CA -0.272 61.097 61.300 0.116 0.000 1.334 217 I CB 0.169 38.222 38.000 0.088 0.000 1.421 217 I HN -0.105 8.105 8.210 -0.000 0.000 0.513 218 A N 6.465 129.323 122.820 0.064 0.000 2.541 218 A HA 0.238 4.558 4.320 -0.001 0.000 0.293 218 A C 0.140 177.731 177.584 0.012 0.000 1.307 218 A CA -0.038 52.017 52.037 0.030 0.000 0.978 218 A CB -0.714 18.311 19.000 0.041 0.000 1.111 218 A HN 0.660 8.810 8.150 -0.000 0.000 0.535 219 N N 1.465 120.161 118.700 -0.007 0.000 2.314 219 N HA 0.396 5.136 4.740 -0.001 0.000 0.294 219 N C -1.137 174.352 175.510 -0.036 0.000 1.029 219 N CA -0.382 52.659 53.050 -0.015 0.000 0.845 219 N CB 2.055 40.534 38.487 -0.013 0.000 1.321 219 N HN 0.719 9.099 8.380 -0.000 0.000 0.481 220 D N 0.623 121.001 120.400 -0.036 0.000 2.952 220 D HA 0.212 4.852 4.640 -0.001 0.000 0.373 220 D C -0.384 175.884 176.300 -0.054 0.000 1.360 220 D CA -0.288 53.682 54.000 -0.050 0.000 0.788 220 D CB -0.440 40.336 40.800 -0.040 0.000 1.192 220 D HN 0.352 8.722 8.370 -0.000 0.000 0.462 221 I N 2.103 122.634 120.570 -0.064 0.000 2.532 221 I HA 0.018 4.188 4.170 -0.001 0.000 0.302 221 I C 0.830 176.888 176.117 -0.098 0.000 1.176 221 I CA -0.221 61.040 61.300 -0.065 0.000 1.975 221 I CB -0.695 37.270 38.000 -0.058 0.000 1.536 221 I HN 0.301 8.511 8.210 -0.000 0.000 0.919 222 S N 2.042 117.697 115.700 -0.075 0.000 2.593 222 S HA 0.166 4.636 4.470 -0.001 0.000 0.269 222 S C 1.280 175.853 174.600 -0.044 0.000 1.334 222 S CA -0.638 57.523 58.200 -0.066 0.000 1.015 222 S CB 1.566 64.739 63.200 -0.045 0.000 0.912 222 S HN 0.462 8.772 8.310 -0.000 0.000 0.541 223 S N 1.534 117.231 115.700 -0.006 0.000 2.383 223 S HA -0.085 4.385 4.470 -0.001 0.000 0.227 223 S C 1.968 176.523 174.600 -0.075 0.000 1.026 223 S CA 1.562 59.750 58.200 -0.019 0.000 0.981 223 S CB -0.878 62.340 63.200 0.030 0.000 0.818 223 S HN 0.877 9.187 8.310 -0.000 0.000 0.472 224 T N 2.278 116.804 114.554 -0.046 0.000 2.759 224 T HA -0.077 4.273 4.350 -0.001 0.000 0.269 224 T C 1.691 176.360 174.700 -0.051 0.000 1.042 224 T CA 1.131 63.204 62.100 -0.046 0.000 1.140 224 T CB -0.161 68.692 68.868 -0.025 0.000 0.864 224 T HN 0.413 8.653 8.240 -0.000 0.000 0.455 225 K N 0.269 120.640 120.400 -0.047 0.000 2.167 225 K HA 0.090 4.410 4.320 -0.001 0.000 0.203 225 K C 2.046 178.615 176.600 -0.052 0.000 1.052 225 K CA 0.550 56.813 56.287 -0.040 0.000 0.956 225 K CB -0.045 32.436 32.500 -0.032 0.000 0.735 225 K HN 0.246 8.496 8.250 -0.000 0.000 0.451 226 I N 1.476 122.000 120.570 -0.077 0.000 2.252 226 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 226 I C 2.150 178.184 176.117 -0.139 0.000 1.102 226 I CA 1.397 62.638 61.300 -0.098 0.000 1.385 226 I CB -0.815 37.114 38.000 -0.119 0.000 1.064 226 I HN 0.152 8.362 8.210 -0.000 0.000 0.414 227 R N 0.156 120.538 120.500 -0.197 0.000 2.092 227 R HA -0.153 4.186 4.340 -0.001 0.000 0.231 227 R C 2.323 178.591 176.300 -0.054 0.000 1.119 227 R CA 1.064 57.048 56.100 -0.193 0.000 0.970 227 R CB -0.363 29.818 30.300 -0.198 0.000 0.864 227 R HN 0.294 8.564 8.270 -0.000 0.000 0.440 228 R N 0.973 121.448 120.500 -0.042 0.000 2.092 228 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 228 R C 2.144 178.439 176.300 -0.007 0.000 1.119 228 R CA 1.471 57.562 56.100 -0.014 0.000 0.970 228 R CB -0.196 30.095 30.300 -0.014 0.000 0.864 228 R HN 0.199 8.469 8.270 -0.000 0.000 0.440 229 A N 0.923 123.734 122.820 -0.016 0.000 1.873 229 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 229 A C 2.168 179.756 177.584 0.007 0.000 1.186 229 A CA 1.258 53.293 52.037 -0.005 0.000 0.616 229 A CB -0.599 18.396 19.000 -0.008 0.000 0.823 229 A HN 0.340 8.490 8.150 -0.000 0.000 0.442 230 L N -0.797 120.431 121.223 0.009 0.000 2.012 230 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 230 L C 2.829 179.729 176.870 0.049 0.000 1.073 230 L CA 1.715 56.580 54.840 0.041 0.000 0.748 230 L CB -0.525 41.583 42.059 0.082 0.000 0.891 230 L HN 0.342 8.572 8.230 -0.000 0.000 0.431 231 R N -0.113 120.417 120.500 0.050 0.000 2.159 231 R HA -0.146 4.193 4.340 -0.001 0.000 0.237 231 R C 2.055 178.371 176.300 0.027 0.000 1.131 231 R CA 1.138 57.265 56.100 0.045 0.000 0.982 231 R CB -0.282 30.043 30.300 0.042 0.000 0.868 231 R HN 0.376 8.646 8.270 -0.000 0.000 0.453 232 R N -0.408 120.104 120.500 0.020 0.000 2.317 232 R HA 0.083 4.423 4.340 -0.001 0.000 0.208 232 R C 0.733 177.041 176.300 0.014 0.000 0.914 232 R CA 0.456 56.565 56.100 0.014 0.000 1.060 232 R CB 0.667 30.973 30.300 0.010 0.000 1.015 232 R HN 0.348 8.618 8.270 -0.000 0.000 0.498 233 G N 1.583 110.394 108.800 0.017 0.000 2.176 233 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.252 233 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.252 233 G C -0.169 174.739 174.900 0.013 0.000 1.024 233 G CA 0.089 45.198 45.100 0.015 0.000 0.755 233 G HN 0.358 8.648 8.290 -0.000 0.000 0.507 234 Q N -0.185 119.623 119.800 0.013 0.000 2.221 234 Q HA 0.605 4.945 4.340 -0.001 0.000 0.242 234 Q C 0.652 176.659 176.000 0.013 0.000 0.940 234 Q CA -0.106 55.705 55.803 0.013 0.000 0.896 234 Q CB 1.352 30.098 28.738 0.013 0.000 1.226 234 Q HN 0.289 8.559 8.270 -0.000 0.000 0.463 235 S N 0.768 116.478 115.700 0.016 0.000 2.576 235 S HA 0.222 4.691 4.470 -0.001 0.000 0.276 235 S C 0.380 174.986 174.600 0.010 0.000 1.339 235 S CA -0.386 57.821 58.200 0.011 0.000 1.039 235 S CB 0.128 63.343 63.200 0.025 0.000 0.902 235 S HN 0.608 8.918 8.310 -0.000 0.000 0.516 236 I N 0.954 121.518 120.570 -0.009 0.000 3.813 236 I HA 0.510 4.679 4.170 -0.001 0.000 0.323 236 I C 0.124 176.216 176.117 -0.043 0.000 1.536 236 I CA -0.839 60.457 61.300 -0.007 0.000 1.083 236 I CB 0.193 38.190 38.000 -0.006 0.000 1.265 236 I HN 0.368 8.578 8.210 -0.000 0.000 0.507 237 R N 1.389 121.826 120.500 -0.106 0.000 2.537 237 R HA 0.122 4.461 4.340 -0.001 0.000 0.280 237 R C -0.296 175.827 176.300 -0.296 0.000 1.058 237 R CA 0.902 56.792 56.100 -0.350 0.000 1.057 237 R CB -0.235 29.744 30.300 -0.534 0.000 0.973 237 R HN 0.425 8.695 8.270 -0.000 0.000 0.438 238 Y N 1.064 121.376 120.300 0.021 0.000 4.929 238 Y HA -0.306 4.243 4.550 -0.001 0.000 0.252 238 Y C 0.496 176.404 175.900 0.014 0.000 0.950 238 Y CA 0.692 58.803 58.100 0.018 0.000 1.935 238 Y CB -1.754 36.715 38.460 0.015 0.000 1.440 238 Y HN 0.515 8.795 8.280 -0.000 0.000 0.567 239 L N -0.655 120.619 121.223 0.084 0.000 2.672 239 L HA 0.324 4.664 4.340 -0.001 0.000 0.236 239 L C 0.735 177.626 176.870 0.035 0.000 1.092 239 L CA 0.446 55.320 54.840 0.056 0.000 0.887 239 L CB 0.818 42.897 42.059 0.033 0.000 1.168 239 L HN 0.115 8.345 8.230 -0.000 0.000 0.502 240 V N -4.620 115.309 119.914 0.026 0.000 3.130 240 V HA 0.659 4.779 4.120 -0.001 0.000 0.310 240 V C -2.846 173.259 176.094 0.017 0.000 1.158 240 V CA -2.452 59.866 62.300 0.030 0.000 1.029 240 V CB 1.611 33.455 31.823 0.034 0.000 1.057 240 V HN -0.185 8.005 8.190 -0.000 0.000 0.436 241 P HA 0.264 4.684 4.420 -0.000 0.000 0.269 241 P C -0.051 177.246 177.300 -0.006 0.000 1.215 241 P CA 0.062 63.168 63.100 0.010 0.000 0.780 241 P CB 0.512 32.213 31.700 0.002 0.000 0.898 242 D N 1.061 121.450 120.400 -0.018 0.000 2.126 242 D HA -0.175 4.464 4.640 -0.001 0.000 0.190 242 D C 1.912 178.213 176.300 0.002 0.000 1.001 242 D CA 1.551 55.532 54.000 -0.033 0.000 0.841 242 D CB -0.564 40.220 40.800 -0.027 0.000 0.949 242 D HN 0.332 8.702 8.370 -0.000 0.000 0.446 243 L N 0.348 121.580 121.223 0.015 0.000 2.012 243 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 243 L C 2.636 179.553 176.870 0.079 0.000 1.073 243 L CA 0.790 55.654 54.840 0.041 0.000 0.748 243 L CB -0.594 41.474 42.059 0.015 0.000 0.891 243 L HN -0.026 8.204 8.230 -0.000 0.000 0.431 244 V N -0.351 119.593 119.914 0.050 0.000 2.295 244 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 244 V C 2.551 178.726 176.094 0.135 0.000 1.049 244 V CA 1.978 64.328 62.300 0.082 0.000 1.024 244 V CB -0.608 31.244 31.823 0.048 0.000 0.648 244 V HN 0.558 8.748 8.190 -0.000 0.000 0.447 245 Q N 0.268 120.113 119.800 0.074 0.000 2.079 245 Q HA -0.248 4.091 4.340 -0.001 0.000 0.200 245 Q C 2.161 178.208 176.000 0.078 0.000 0.974 245 Q CA 2.047 57.886 55.803 0.060 0.000 0.840 245 Q CB -0.124 28.606 28.738 -0.014 0.000 0.898 245 Q HN 0.739 9.009 8.270 -0.000 0.000 0.430 246 E N -0.719 119.525 120.200 0.074 0.000 2.153 246 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 246 E C 1.727 178.403 176.600 0.127 0.000 0.988 246 E CA 1.233 57.676 56.400 0.072 0.000 0.811 246 E CB -0.212 29.523 29.700 0.057 0.000 0.746 246 E HN 0.411 8.771 8.360 -0.000 0.000 0.466 247 Y N 0.555 120.899 120.300 0.072 0.000 2.263 247 Y HA -0.103 4.446 4.550 -0.001 0.000 0.292 247 Y C 1.811 177.820 175.900 0.182 0.000 1.130 247 Y CA 1.155 59.347 58.100 0.153 0.000 1.179 247 Y CB 0.125 38.662 38.460 0.130 0.000 0.998 247 Y HN -0.038 8.242 8.280 -0.000 0.000 0.532 248 I N -0.025 120.707 120.570 0.269 0.000 2.315 248 I HA -0.232 3.937 4.170 -0.001 0.000 0.248 248 I C 2.063 178.211 176.117 0.052 0.000 1.117 248 I CA 1.141 62.550 61.300 0.182 0.000 1.404 248 I CB -0.272 37.874 38.000 0.244 0.000 1.071 248 I HN 0.224 8.434 8.210 -0.000 0.000 0.419 249 E N 0.973 121.193 120.200 0.033 0.000 2.072 249 E HA -0.249 4.100 4.350 -0.001 0.000 0.191 249 E C 2.019 178.563 176.600 -0.092 0.000 0.985 249 E CA 0.996 57.386 56.400 -0.017 0.000 0.801 249 E CB -0.323 29.371 29.700 -0.011 0.000 0.750 249 E HN 0.470 8.830 8.360 -0.000 0.000 0.452 250 K N 0.473 120.781 120.400 -0.153 0.000 2.057 250 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 250 K C 1.601 177.897 176.600 -0.506 0.000 1.050 250 K CA 1.158 57.252 56.287 -0.321 0.000 0.935 250 K CB 0.017 32.282 32.500 -0.392 0.000 0.715 250 K HN 0.209 8.459 8.250 -0.000 0.000 0.439 251 H N -0.209 118.676 119.070 -0.308 0.000 2.551 251 H HA 0.022 4.577 4.556 -0.001 0.000 0.271 251 H C 0.217 175.405 175.328 -0.233 0.000 0.984 251 H CA 0.187 56.046 56.048 -0.314 0.000 1.164 251 H CB 0.193 29.649 29.762 -0.511 0.000 1.437 251 H HN 0.319 8.599 8.280 -0.000 0.000 0.550 252 N N 1.430 120.070 118.700 -0.100 0.000 2.714 252 N HA -0.205 4.534 4.740 -0.001 0.000 0.252 252 N C 0.889 176.336 175.510 -0.105 0.000 1.014 252 N CA 0.091 53.099 53.050 -0.070 0.000 0.735 252 N CB -1.583 36.864 38.487 -0.067 0.000 0.924 252 N HN 0.404 8.784 8.380 -0.000 0.000 0.540 253 L N -1.435 119.690 121.223 -0.163 0.000 2.127 253 L HA -0.147 4.193 4.340 -0.001 0.000 0.211 253 L C 0.420 176.950 176.870 -0.566 0.000 1.089 253 L CA 1.285 55.883 54.840 -0.402 0.000 0.757 253 L CB -0.274 41.474 42.059 -0.518 0.000 0.899 253 L HN 0.283 8.513 8.230 -0.000 0.000 0.434 254 Y N -0.509 119.786 120.300 -0.009 0.000 2.335 254 Y HA 0.377 4.926 4.550 -0.001 0.000 0.338 254 Y C 0.398 176.297 175.900 -0.002 0.000 0.977 254 Y CA -0.614 57.487 58.100 0.002 0.000 1.114 254 Y CB 1.667 40.137 38.460 0.016 0.000 1.182 254 Y HN -0.051 8.229 8.280 -0.000 0.000 0.463 255 S N -0.474 115.296 115.700 0.115 0.000 2.752 255 S HA 0.364 4.833 4.470 -0.001 0.000 0.284 255 S C 0.323 174.960 174.600 0.061 0.000 1.189 255 S CA -0.703 57.537 58.200 0.068 0.000 0.835 255 S CB 1.275 64.487 63.200 0.020 0.000 1.192 255 S HN 0.376 8.686 8.310 -0.000 0.000 0.506 256 S N 0.558 116.281 115.700 0.037 0.000 2.368 256 S HA -0.108 4.362 4.470 -0.001 0.000 0.225 256 S C 1.661 176.275 174.600 0.024 0.000 1.030 256 S CA 1.612 59.829 58.200 0.029 0.000 0.999 256 S CB -0.625 62.586 63.200 0.018 0.000 0.844 256 S HN 0.743 9.053 8.310 -0.000 0.000 0.459 257 E N 1.125 121.334 120.200 0.015 0.000 2.038 257 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 257 E C 2.243 178.850 176.600 0.011 0.000 1.000 257 E CA 1.586 57.990 56.400 0.007 0.000 0.803 257 E CB -0.167 29.531 29.700 -0.003 0.000 0.750 257 E HN 0.617 8.977 8.360 -0.000 0.000 0.448 258 S N 0.410 116.117 115.700 0.011 0.000 2.400 258 S HA -0.206 4.263 4.470 -0.001 0.000 0.232 258 S C 1.883 176.515 174.600 0.052 0.000 1.025 258 S CA 1.409 59.617 58.200 0.014 0.000 0.993 258 S CB -0.251 62.934 63.200 -0.025 0.000 0.808 258 S HN 0.177 8.487 8.310 -0.000 0.000 0.478 259 E N 1.594 121.835 120.200 0.067 0.000 2.265 259 E HA -0.070 4.279 4.350 -0.001 0.000 0.196 259 E C 1.397 178.017 176.600 0.034 0.000 0.996 259 E CA 0.937 57.376 56.400 0.065 0.000 0.832 259 E CB -0.473 29.261 29.700 0.057 0.000 0.756 259 E HN 0.529 8.889 8.360 -0.000 0.000 0.491 260 D N -0.285 120.128 120.400 0.022 0.000 2.347 260 D HA -0.009 4.631 4.640 -0.001 0.000 0.213 260 D C -0.044 176.258 176.300 0.003 0.000 0.985 260 D CA 0.070 54.075 54.000 0.008 0.000 0.879 260 D CB 0.178 40.981 40.800 0.004 0.000 0.919 260 D HN 0.127 8.496 8.370 -0.000 0.000 0.526 261 R N 1.378 121.884 120.500 0.009 0.000 2.583 261 R HA -0.045 4.294 4.340 -0.001 0.000 0.274 261 R C 0.721 177.016 176.300 -0.009 0.000 0.998 261 R CA 0.210 56.312 56.100 0.004 0.000 1.081 261 R CB 0.148 30.457 30.300 0.015 0.000 0.940 261 R HN 0.088 8.358 8.270 -0.000 0.000 0.413 262 N N -1.382 117.306 118.700 -0.019 0.000 2.778 262 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 262 N C -0.448 175.036 175.510 -0.044 0.000 1.069 262 N CA 1.298 54.325 53.050 -0.038 0.000 0.831 262 N CB -1.198 37.256 38.487 -0.056 0.000 1.142 262 N HN 0.778 9.158 8.380 -0.000 0.000 0.573 263 A N 0.294 123.096 122.820 -0.030 0.000 2.565 263 A HA 0.434 4.753 4.320 -0.001 0.000 0.237 263 A C 1.665 179.228 177.584 -0.035 0.000 1.053 263 A CA 1.300 53.319 52.037 -0.030 0.000 0.755 263 A CB -0.221 18.767 19.000 -0.019 0.000 0.980 263 A HN 1.269 9.419 8.150 -0.000 0.000 0.506 264 G N 0.596 109.372 108.800 -0.040 0.000 2.155 264 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.257 264 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.257 264 G C 0.120 174.990 174.900 -0.050 0.000 0.983 264 G CA 0.345 45.421 45.100 -0.040 0.000 0.676 264 G HN 1.512 9.802 8.290 -0.000 0.000 0.528 265 V N 0.812 120.686 119.914 -0.065 0.000 2.667 265 V HA 0.661 4.781 4.120 -0.001 0.000 0.308 265 V C 0.736 176.763 176.094 -0.111 0.000 1.048 265 V CA -1.046 61.206 62.300 -0.080 0.000 0.928 265 V CB 1.936 33.711 31.823 -0.080 0.000 1.004 265 V HN 0.282 8.472 8.190 -0.000 0.000 0.444 266 I N 3.421 123.921 120.570 -0.117 0.000 2.474 266 I HA 0.196 4.365 4.170 -0.001 0.000 0.287 266 I C 0.068 176.049 176.117 -0.227 0.000 1.048 266 I CA -0.361 60.850 61.300 -0.148 0.000 1.383 266 I CB 0.971 38.901 38.000 -0.117 0.000 1.412 266 I HN 0.413 8.623 8.210 -0.000 0.000 0.531 267 L N 5.895 126.935 121.223 -0.306 0.000 2.559 267 L HA -0.029 4.311 4.340 -0.001 0.000 0.282 267 L C 1.475 178.045 176.870 -0.499 0.000 1.232 267 L CA 0.877 55.410 54.840 -0.512 0.000 0.885 267 L CB 0.587 42.303 42.059 -0.572 0.000 1.131 267 L HN 0.852 9.082 8.230 -0.000 0.000 0.498 268 A N 6.240 128.697 122.820 -0.605 0.000 1.896 268 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 268 A C -0.513 176.808 177.584 -0.440 0.000 1.206 268 A CA 2.257 54.032 52.037 -0.436 0.000 0.647 268 A CB -2.140 16.649 19.000 -0.353 0.000 0.828 268 A HN 0.862 9.012 8.150 -0.000 0.000 0.455 269 P HA -0.175 4.245 4.420 -0.000 0.000 0.214 269 P C 1.503 178.675 177.300 -0.213 0.000 1.163 269 P CA 1.204 63.986 63.100 -0.529 0.000 0.889 269 P CB -0.213 31.068 31.700 -0.699 0.000 0.790 270 L N -1.342 119.739 121.223 -0.236 0.000 2.131 270 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 270 L C 2.741 179.556 176.870 -0.093 0.000 1.092 270 L CA 1.386 56.147 54.840 -0.131 0.000 0.759 270 L CB -0.843 41.133 42.059 -0.139 0.000 0.903 270 L HN -0.012 8.218 8.230 -0.000 0.000 0.435 271 Q N 0.344 120.075 119.800 -0.115 0.000 2.079 271 Q HA -0.201 4.138 4.340 -0.001 0.000 0.200 271 Q C 2.282 178.265 176.000 -0.027 0.000 0.974 271 Q CA 1.517 57.278 55.803 -0.070 0.000 0.840 271 Q CB -0.047 28.644 28.738 -0.080 0.000 0.898 271 Q HN 0.229 8.499 8.270 -0.000 0.000 0.430 272 R N -0.360 120.134 120.500 -0.010 0.000 2.066 272 R HA -0.028 4.311 4.340 -0.001 0.000 0.232 272 R C 1.183 177.504 176.300 0.036 0.000 1.131 272 R CA 1.523 57.647 56.100 0.040 0.000 0.955 272 R CB -0.033 30.333 30.300 0.110 0.000 0.851 272 R HN 0.329 8.599 8.270 -0.000 0.000 0.432 273 N N -0.532 118.185 118.700 0.028 0.000 2.521 273 N HA -0.037 4.702 4.740 -0.001 0.000 0.188 273 N C 0.021 175.542 175.510 0.019 0.000 1.146 273 N CA 0.838 53.907 53.050 0.033 0.000 0.893 273 N CB 0.788 39.299 38.487 0.041 0.000 0.975 273 N HN 0.187 8.567 8.380 -0.000 0.000 0.451 274 T N -0.998 113.560 114.554 0.007 0.000 3.145 274 T HA 0.509 4.858 4.350 -0.001 0.000 0.281 274 T C 0.306 175.007 174.700 0.002 0.000 1.003 274 T CA -0.253 61.848 62.100 0.002 0.000 0.901 274 T CB 0.767 69.629 68.868 -0.010 0.000 1.112 274 T HN 0.224 8.464 8.240 -0.000 0.000 0.535 275 A N 0.000 122.824 122.820 0.007 0.000 2.254 275 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 275 A CA 0.000 52.041 52.037 0.008 0.000 0.836 275 A CB 0.000 19.001 19.000 0.002 0.000 0.831 275 A HN 0.000 8.150 8.150 -0.000 0.000 0.486