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 2mfn_1_A DATA FIRST_RESID 1 DATA SEQUENCE GLDSPTGFDS SDITANSFTV HWVAPRAPIT GYIIRHHAEH SVGRPRQDRV DATA SEQUENCE PPSRNSITLT NLNPGTEYVV SIIAVNGREE SPPLIGQQAT VSDIPRDLEV DATA SEQUENCE IASTPTSLLI SWEPPAVSVR YYRITYGETG GNSPVQEFTV PGSKSTATIN DATA SEQUENCE NIKPGADYTI TLYAVTGRGD SPASSKPVSI NYKT 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.967 3.960 0.012 0.000 0.244 1 G C 0.000 174.911 174.900 0.018 0.000 0.946 1 G CA 0.000 45.108 45.100 0.014 0.000 0.502 2 L N 1.754 122.989 121.223 0.021 0.000 2.386 2 L HA 0.173 4.530 4.340 0.030 0.000 0.271 2 L C -1.398 175.496 176.870 0.039 0.000 0.993 2 L CA -0.667 54.190 54.840 0.029 0.000 0.819 2 L CB 1.892 43.967 42.059 0.026 0.000 1.294 2 L HN -0.367 7.874 8.230 0.020 0.000 0.414 3 D N 2.150 122.580 120.400 0.050 0.000 2.350 3 D HA 0.052 4.721 4.640 0.049 0.000 0.249 3 D C -0.862 175.484 176.300 0.077 0.000 1.119 3 D CA 0.063 54.098 54.000 0.059 0.000 0.886 3 D CB 0.899 41.738 40.800 0.065 0.000 1.195 3 D HN 0.044 8.445 8.370 0.051 0.000 0.437 4 S N 2.280 118.021 115.700 0.069 0.000 2.537 4 S HA 0.179 4.703 4.470 0.089 0.000 0.275 4 S C -1.288 173.371 174.600 0.099 0.000 1.272 4 S CA -2.800 55.446 58.200 0.077 0.000 1.050 4 S CB 0.794 64.022 63.200 0.048 0.000 0.961 4 S HN 0.041 8.385 8.310 0.056 0.000 0.496 5 P HA 0.067 4.593 4.420 0.177 0.000 0.266 5 P C -1.442 175.938 177.300 0.134 0.000 1.195 5 P CA 0.122 63.304 63.100 0.137 0.000 0.768 5 P CB 0.339 32.066 31.700 0.045 0.000 0.838 6 T N -0.124 114.536 114.554 0.178 0.000 2.606 6 T HA 0.054 4.535 4.350 0.218 0.000 0.280 6 T C -0.142 174.689 174.700 0.218 0.000 1.074 6 T CA -1.398 60.816 62.100 0.190 0.000 1.140 6 T CB 1.420 70.364 68.868 0.126 0.000 1.631 6 T HN -0.517 7.835 8.240 0.186 0.000 0.464 7 G N -0.194 108.718 108.800 0.186 0.000 2.160 7 G HA2 -0.329 3.704 3.960 0.122 0.000 0.251 7 G HA3 -0.329 3.698 3.960 0.112 0.000 0.251 7 G C -0.887 174.130 174.900 0.196 0.000 1.008 7 G CA 0.539 45.728 45.100 0.149 0.000 0.724 7 G HN 0.005 8.395 8.290 0.167 0.000 0.514 8 F N 1.686 121.711 119.950 0.126 0.000 2.612 8 F HA 0.001 4.887 4.527 0.238 -0.216 0.389 8 F C -0.830 175.049 175.800 0.132 0.000 1.055 8 F CA 0.643 58.740 58.000 0.163 0.000 1.232 8 F CB 0.860 39.939 39.000 0.131 0.000 1.044 8 F HN -0.543 7.943 8.300 0.389 0.047 0.560 9 D N 6.713 126.873 120.400 -0.399 0.000 2.859 9 D HA 0.293 4.926 4.640 -0.010 0.000 0.223 9 D C -2.260 173.879 176.300 -0.269 0.000 1.218 9 D CA -1.213 52.675 54.000 -0.188 0.000 0.850 9 D CB 4.367 45.118 40.800 -0.082 0.000 1.656 9 D HN 0.762 8.652 8.370 -0.619 0.108 0.484 10 S N 3.174 118.827 115.700 -0.078 0.000 2.537 10 S HA 0.523 5.039 4.470 0.075 0.000 0.301 10 S C -0.945 173.714 174.600 0.098 0.000 1.092 10 S CA -1.138 57.096 58.200 0.056 0.000 1.048 10 S CB 2.293 65.575 63.200 0.138 0.000 1.053 10 S HN 0.063 8.376 8.310 0.005 0.000 0.501 11 S N 1.498 117.304 115.700 0.177 0.000 2.683 11 S HA 0.149 4.665 4.470 0.077 0.000 0.269 11 S C -1.499 173.194 174.600 0.155 0.000 1.165 11 S CA -0.212 58.049 58.200 0.101 0.000 0.840 11 S CB 1.505 64.686 63.200 -0.031 0.000 1.169 11 S HN 0.265 8.740 8.310 0.275 0.000 0.490 12 D N -0.867 119.590 120.400 0.094 0.000 2.701 12 D HA -0.296 4.381 4.640 0.062 0.000 0.235 12 D C -1.558 174.819 176.300 0.128 0.000 1.155 12 D CA 1.339 55.395 54.000 0.093 0.000 0.649 12 D CB -1.400 39.461 40.800 0.103 0.000 1.050 12 D HN 0.257 8.657 8.370 0.049 0.000 0.425 13 I N -1.537 119.117 120.570 0.140 0.000 2.416 13 I HA -0.118 4.247 4.170 0.326 0.000 0.288 13 I C -0.115 176.087 176.117 0.142 0.000 1.051 13 I CA 0.366 61.781 61.300 0.192 0.000 1.375 13 I CB 0.170 38.245 38.000 0.126 0.000 1.407 13 I HN -0.309 7.965 8.210 0.107 -0.000 0.516 14 T N 6.353 121.010 114.554 0.171 0.000 2.930 14 T HA 0.406 4.809 4.350 0.089 0.000 0.290 14 T C 0.073 174.844 174.700 0.120 0.000 1.052 14 T CA -2.314 59.853 62.100 0.112 0.000 1.017 14 T CB 2.032 70.949 68.868 0.081 0.000 1.137 14 T HN 0.413 8.785 8.240 0.265 0.026 0.511 15 A N 1.748 124.623 122.820 0.091 0.000 1.835 15 A HA -0.266 4.110 4.320 0.093 0.000 0.215 15 A C 0.722 178.372 177.584 0.111 0.000 1.199 15 A CA 3.146 55.238 52.037 0.092 0.000 0.615 15 A CB -0.136 18.907 19.000 0.072 0.000 0.838 15 A HN 0.593 8.789 8.150 0.077 0.000 0.444 16 N N -5.660 113.093 118.700 0.088 0.000 2.336 16 N HA 0.006 5.011 4.740 0.104 -0.202 0.189 16 N C -1.270 174.274 175.510 0.057 0.000 1.113 16 N CA 0.040 53.137 53.050 0.080 0.000 0.858 16 N CB 0.393 38.914 38.487 0.057 0.000 0.970 16 N HN 0.356 8.779 8.380 0.072 0.000 0.471 17 S N -3.495 112.254 115.700 0.082 0.000 2.579 17 S HA 0.662 5.238 4.470 -0.027 -0.122 0.272 17 S C -2.301 172.396 174.600 0.163 0.000 1.141 17 S CA -1.272 56.950 58.200 0.036 0.000 0.843 17 S CB 3.036 66.219 63.200 -0.028 0.000 1.122 17 S HN -0.747 7.511 8.310 0.102 0.114 0.468 18 F N -5.040 114.854 119.950 -0.093 0.000 2.708 18 F HA 0.630 5.382 4.527 -0.029 -0.242 0.309 18 F C -2.380 173.375 175.800 -0.074 0.000 1.120 18 F CA -0.642 57.323 58.000 -0.057 0.000 0.978 18 F CB 2.760 41.737 39.000 -0.039 0.000 1.283 18 F HN 0.127 8.205 8.300 -0.370 0.000 0.439 19 T N 3.377 117.908 114.554 -0.039 0.000 2.907 19 T HA 0.418 4.683 4.350 -0.431 -0.174 0.284 19 T C -0.663 173.958 174.700 -0.132 0.000 1.004 19 T CA -0.905 61.062 62.100 -0.222 0.000 1.063 19 T CB 1.235 70.058 68.868 -0.073 0.000 0.992 19 T HN 0.050 8.261 8.240 0.157 0.123 0.483 20 V N 2.035 121.731 119.914 -0.362 0.000 2.680 20 V HA 0.258 4.344 4.120 -0.057 0.000 0.309 20 V C -1.637 174.133 176.094 -0.540 0.000 1.052 20 V CA -1.356 60.822 62.300 -0.204 0.000 0.908 20 V CB 1.931 33.787 31.823 0.056 0.000 1.001 20 V HN -0.011 7.892 8.190 -0.479 0.000 0.431 21 H N 3.389 122.286 119.070 -0.288 0.000 2.690 21 H HA 0.839 5.247 4.556 -0.554 -0.184 0.368 21 H C -0.793 174.404 175.328 -0.218 0.000 1.150 21 H CA -1.604 54.227 56.048 -0.362 0.000 1.174 21 H CB 4.056 33.618 29.762 -0.333 0.000 1.684 21 H HN 0.655 8.741 8.280 -0.324 0.000 0.538 22 W N -0.954 120.274 121.300 -0.119 0.000 3.118 22 W HA 0.303 4.938 4.660 -0.041 0.000 0.328 22 W C -3.038 173.434 176.519 -0.078 0.000 1.239 22 W CA -1.063 56.234 57.345 -0.080 0.000 1.176 22 W CB 1.836 31.261 29.460 -0.058 0.000 1.433 22 W HN 0.084 7.714 8.180 -0.918 0.000 0.562 23 V N 1.198 121.209 119.914 0.162 0.000 2.863 23 V HA 0.054 4.140 4.120 -0.057 0.000 0.307 23 V C -0.921 175.285 176.094 0.186 0.000 1.061 23 V CA -1.729 60.613 62.300 0.071 0.000 1.024 23 V CB 2.857 34.728 31.823 0.080 0.000 1.049 23 V HN 0.976 9.201 8.190 0.255 0.118 0.471 24 A N 3.431 126.334 122.820 0.139 0.000 2.309 24 A HA 0.327 4.859 4.320 0.353 0.000 0.298 24 A C -1.921 175.795 177.584 0.221 0.000 1.165 24 A CA -2.896 49.297 52.037 0.260 0.000 0.821 24 A CB -0.706 18.452 19.000 0.262 0.000 1.102 24 A HN -0.094 8.099 8.150 0.072 0.000 0.500 25 P HA -0.045 4.461 4.420 0.143 0.000 0.273 25 P C -0.514 176.863 177.300 0.128 0.000 1.258 25 P CA -0.224 62.979 63.100 0.172 0.000 0.802 25 P CB 0.694 32.500 31.700 0.177 0.000 1.040 26 R N -1.437 119.117 120.500 0.091 0.000 2.393 26 R HA 0.081 4.463 4.340 0.070 0.000 0.244 26 R C -0.621 175.713 176.300 0.056 0.000 0.920 26 R CA -0.084 56.057 56.100 0.068 0.000 1.076 26 R CB 0.193 30.524 30.300 0.053 0.000 1.119 26 R HN 0.361 8.682 8.270 0.086 0.000 0.524 27 A N 0.170 123.027 122.820 0.060 0.000 2.330 27 A HA 0.423 4.764 4.320 0.034 0.000 0.329 27 A C -2.415 175.189 177.584 0.034 0.000 1.135 27 A CA -2.504 49.558 52.037 0.041 0.000 0.817 27 A CB 0.448 19.470 19.000 0.037 0.000 1.269 27 A HN -0.537 7.587 8.150 0.077 0.072 0.469 28 P HA 0.020 4.444 4.420 0.006 0.000 0.262 28 P C -1.790 175.500 177.300 -0.015 0.000 1.199 28 P CA 0.291 63.393 63.100 0.004 0.000 0.763 28 P CB 0.100 31.800 31.700 0.001 0.000 0.790 29 I N -2.915 117.630 120.570 -0.040 0.000 3.145 29 I HA 0.447 4.569 4.170 -0.079 0.000 0.313 29 I C -0.609 175.433 176.117 -0.124 0.000 1.122 29 I CA -2.717 58.523 61.300 -0.100 0.000 0.987 29 I CB 3.883 41.778 38.000 -0.174 0.000 1.236 29 I HN -0.837 7.355 8.210 -0.030 0.000 0.453 30 T N -2.363 112.100 114.554 -0.152 0.000 3.023 30 T HA 0.296 4.593 4.350 -0.090 0.000 0.253 30 T C 0.173 174.769 174.700 -0.173 0.000 1.038 30 T CA -1.580 60.447 62.100 -0.122 0.000 0.962 30 T CB 1.529 70.348 68.868 -0.082 0.000 1.018 30 T HN 0.923 8.953 8.240 -0.166 0.110 0.521 31 G N -0.162 108.435 108.800 -0.338 0.000 2.369 31 G HA2 -0.023 3.707 3.960 -0.489 0.000 0.293 31 G HA3 -0.023 3.828 3.960 -0.181 0.000 0.293 31 G C -3.340 171.201 174.900 -0.597 0.000 1.301 31 G CA 0.070 44.922 45.100 -0.414 0.000 0.913 31 G HN -0.917 7.082 8.290 -0.409 0.045 0.540 32 Y N -3.639 116.683 120.300 0.037 0.000 2.499 32 Y HA 0.941 5.648 4.550 -0.050 -0.187 0.347 32 Y C -0.869 174.995 175.900 -0.059 0.000 0.987 32 Y CA -2.332 55.744 58.100 -0.041 0.000 1.044 32 Y CB 3.959 42.345 38.460 -0.123 0.000 1.245 32 Y HN -0.564 7.764 8.280 0.080 0.000 0.461 33 I N 1.793 122.402 120.570 0.065 0.000 2.336 33 I HA 0.486 4.677 4.170 0.036 0.000 0.292 33 I C -0.886 175.220 176.117 -0.018 0.000 0.991 33 I CA -1.521 59.792 61.300 0.022 0.000 1.227 33 I CB 0.443 38.447 38.000 0.007 0.000 1.366 33 I HN 0.454 8.593 8.210 0.058 0.106 0.466 34 I N 7.614 128.179 120.570 -0.008 0.000 2.312 34 I HA 0.476 4.765 4.170 -0.081 -0.167 0.290 34 I C -1.118 175.026 176.117 0.045 0.000 1.008 34 I CA -2.872 58.414 61.300 -0.023 0.000 1.226 34 I CB -0.709 37.283 38.000 -0.014 0.000 1.371 34 I HN 1.005 9.145 8.210 0.021 0.082 0.468 35 R N 7.112 127.652 120.500 0.067 0.000 2.494 35 R HA 0.611 5.143 4.340 0.097 -0.134 0.305 35 R C -1.580 174.862 176.300 0.237 0.000 0.959 35 R CA -1.696 54.470 56.100 0.110 0.000 0.864 35 R CB 2.860 33.196 30.300 0.060 0.000 1.159 35 R HN 0.426 8.722 8.270 0.043 0.000 0.446 36 H N 4.265 123.447 119.070 0.186 0.000 2.930 36 H HA 1.098 5.996 4.556 0.288 -0.169 0.371 36 H C -1.997 173.561 175.328 0.384 0.000 1.169 36 H CA -1.798 54.409 56.048 0.265 0.000 1.157 36 H CB 3.769 33.631 29.762 0.167 0.000 1.789 36 H HN 0.130 8.518 8.280 0.180 0.000 0.547 37 H N -0.031 119.001 119.070 -0.063 0.000 3.060 37 H HA 0.236 4.595 4.556 -0.329 0.000 0.330 37 H C -3.116 172.331 175.328 0.197 0.000 1.305 37 H CA -0.702 55.293 56.048 -0.089 0.000 1.209 37 H CB 2.485 32.198 29.762 -0.081 0.000 1.913 37 H HN 1.000 9.246 8.280 0.131 0.112 0.534 38 A N 0.072 122.964 122.820 0.120 0.000 2.271 38 A HA 0.275 4.545 4.320 -0.279 -0.117 0.288 38 A C 1.543 179.049 177.584 -0.130 0.000 1.094 38 A CA -0.804 51.130 52.037 -0.171 0.000 0.828 38 A CB 1.805 20.604 19.000 -0.335 0.000 1.091 38 A HN 0.517 8.800 8.150 0.221 0.000 0.493 39 E N 1.833 121.892 120.200 -0.236 0.000 2.118 39 E HA -0.328 3.970 4.350 -0.086 0.000 0.195 39 E C 1.016 177.576 176.600 -0.066 0.000 0.992 39 E CA 3.023 59.310 56.400 -0.187 0.000 0.804 39 E CB 0.106 29.591 29.700 -0.358 0.000 0.741 39 E HN 0.567 8.730 8.360 -0.328 0.000 0.458 40 H N -3.468 115.578 119.070 -0.040 0.000 2.567 40 H HA 0.125 4.678 4.556 -0.005 0.000 0.294 40 H C -0.711 174.622 175.328 0.009 0.000 1.050 40 H CA -1.090 54.948 56.048 -0.017 0.000 1.168 40 H CB -0.511 29.229 29.762 -0.037 0.000 1.422 40 H HN -0.114 8.021 8.280 -0.226 0.009 0.562 41 S N 0.546 116.331 115.700 0.142 0.000 2.608 41 S HA -0.054 4.488 4.470 0.120 0.000 0.261 41 S C 0.135 174.795 174.600 0.100 0.000 1.314 41 S CA -0.293 57.986 58.200 0.131 0.000 0.992 41 S CB 1.192 64.498 63.200 0.177 0.000 0.935 41 S HN -0.504 7.659 8.310 0.120 0.219 0.564 42 V N 1.252 121.207 119.914 0.068 0.000 2.811 42 V HA 0.003 4.145 4.120 0.037 0.000 0.302 42 V C 1.545 177.646 176.094 0.012 0.000 1.063 42 V CA 0.022 62.343 62.300 0.036 0.000 1.088 42 V CB 0.776 32.613 31.823 0.025 0.000 0.982 42 V HN 0.131 8.363 8.190 0.071 0.000 0.485 43 G N 3.351 112.151 108.800 0.001 0.000 2.621 43 G HA2 -0.236 3.707 3.960 -0.028 0.000 0.215 43 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.215 43 G C -0.415 174.454 174.900 -0.051 0.000 1.127 43 G CA 0.889 45.974 45.100 -0.024 0.000 0.747 43 G HN 0.159 8.454 8.290 0.008 0.000 0.561 44 R N -0.278 120.197 120.500 -0.042 0.000 2.332 44 R HA 0.215 4.515 4.340 -0.066 0.000 0.306 44 R C -2.429 173.829 176.300 -0.071 0.000 1.117 44 R CA -2.671 53.397 56.100 -0.054 0.000 1.108 44 R CB 0.563 30.847 30.300 -0.028 0.000 1.126 44 R HN -0.328 7.771 8.270 -0.021 0.159 0.548 45 P HA -0.017 4.339 4.420 -0.107 0.000 0.269 45 P C -0.362 176.884 177.300 -0.090 0.000 1.215 45 P CA -0.554 62.449 63.100 -0.161 0.000 0.780 45 P CB 0.740 32.224 31.700 -0.361 0.000 0.898 46 R N 0.702 121.144 120.500 -0.096 0.000 2.641 46 R HA 0.036 4.361 4.340 -0.025 0.000 0.269 46 R C -0.874 175.428 176.300 0.003 0.000 1.074 46 R CA 0.409 56.480 56.100 -0.048 0.000 1.133 46 R CB 0.816 31.071 30.300 -0.075 0.000 1.029 46 R HN -0.021 8.159 8.270 -0.150 0.000 0.488 47 Q N 2.610 122.423 119.800 0.023 0.000 2.357 47 Q HA 0.098 4.458 4.340 0.033 0.000 0.266 47 Q C -1.958 174.071 176.000 0.048 0.000 1.021 47 Q CA -0.473 55.348 55.803 0.030 0.000 0.784 47 Q CB 2.138 30.883 28.738 0.012 0.000 1.243 47 Q HN 0.350 8.632 8.270 0.021 0.000 0.465 48 D N 8.112 128.549 120.400 0.062 0.000 2.502 48 D HA 0.349 5.018 4.640 0.047 0.000 0.249 48 D C -1.909 174.420 176.300 0.048 0.000 1.092 48 D CA -0.711 53.323 54.000 0.057 0.000 0.839 48 D CB 3.079 43.921 40.800 0.070 0.000 1.264 48 D HN 1.003 9.312 8.370 0.068 0.101 0.511 49 R N 1.418 121.947 120.500 0.047 0.000 2.711 49 R HA 0.215 4.668 4.340 0.056 -0.080 0.284 49 R C -1.028 175.323 176.300 0.084 0.000 0.968 49 R CA -1.374 54.761 56.100 0.057 0.000 0.924 49 R CB 2.290 32.615 30.300 0.041 0.000 1.162 49 R HN 0.282 8.578 8.270 0.043 0.000 0.465 50 V N -0.878 119.116 119.914 0.133 0.000 2.876 50 V HA 0.635 4.832 4.120 0.128 0.000 0.312 50 V C -2.588 173.627 176.094 0.201 0.000 1.085 50 V CA -4.342 58.067 62.300 0.182 0.000 0.945 50 V CB 2.069 34.068 31.823 0.293 0.000 1.017 50 V HN 0.205 8.479 8.190 0.141 0.000 0.428 51 P HA 0.389 4.856 4.420 0.080 0.000 0.270 51 P C -0.735 176.691 177.300 0.211 0.000 1.223 51 P CA -1.482 61.694 63.100 0.127 0.000 0.785 51 P CB -0.731 31.020 31.700 0.086 0.000 0.923 52 P HA -0.215 4.260 4.420 0.091 0.000 0.216 52 P C 1.098 178.572 177.300 0.290 0.000 1.150 52 P CA 2.337 65.521 63.100 0.140 0.000 0.837 52 P CB -0.034 31.643 31.700 -0.038 0.000 0.786 53 S N -3.544 112.253 115.700 0.161 0.000 2.515 53 S HA -0.209 4.327 4.470 0.111 0.000 0.231 53 S C -0.575 174.081 174.600 0.094 0.000 0.987 53 S CA 1.440 59.707 58.200 0.112 0.000 0.936 53 S CB -0.179 63.057 63.200 0.060 0.000 0.766 53 S HN 0.093 8.454 8.310 0.114 0.017 0.528 54 R N 0.684 121.270 120.500 0.144 0.000 2.229 54 R HA 0.022 4.339 4.340 -0.037 0.000 0.328 54 R C -0.852 175.430 176.300 -0.030 0.000 1.009 54 R CA -1.108 55.022 56.100 0.050 0.000 0.864 54 R CB -0.098 30.260 30.300 0.095 0.000 1.085 54 R HN -0.553 7.661 8.270 0.215 0.185 0.453 55 N N 1.607 120.046 118.700 -0.434 0.000 2.205 55 N HA -0.022 3.800 4.740 -1.530 0.000 0.201 55 N C -1.347 172.945 175.510 -2.030 0.000 1.128 55 N CA -0.197 52.050 53.050 -1.338 0.000 0.867 55 N CB 0.981 38.919 38.487 -0.915 0.000 0.996 55 N HN 0.211 8.388 8.380 -0.338 0.000 0.503 56 S N -0.513 114.560 115.700 -1.046 0.000 2.521 56 S HA 0.868 4.886 4.470 -1.146 -0.235 0.295 56 S C -0.994 173.359 174.600 -0.412 0.000 1.098 56 S CA -1.700 55.976 58.200 -0.873 0.000 0.999 56 S CB 2.807 65.624 63.200 -0.638 0.000 1.034 56 S HN -0.712 7.177 8.310 -0.612 0.054 0.483 57 I N 2.283 122.697 120.570 -0.260 0.000 2.498 57 I HA 0.280 4.391 4.170 -0.097 0.000 0.290 57 I C -1.766 174.195 176.117 -0.260 0.000 1.032 57 I CA -1.309 59.923 61.300 -0.113 0.000 1.073 57 I CB 3.156 41.204 38.000 0.079 0.000 1.251 57 I HN 0.045 8.060 8.210 -0.325 0.000 0.426 58 T N 10.154 124.567 114.554 -0.235 0.000 2.733 58 T HA 0.179 4.434 4.350 -0.386 -0.136 0.294 58 T C -0.546 173.955 174.700 -0.332 0.000 0.956 58 T CA 0.089 62.012 62.100 -0.295 0.000 0.987 58 T CB 0.036 68.794 68.868 -0.183 0.000 0.920 58 T HN 0.327 8.468 8.240 -0.166 0.000 0.470 59 L N 7.786 128.680 121.223 -0.549 0.000 2.357 59 L HA 0.265 4.403 4.340 -0.336 0.000 0.273 59 L C -0.368 176.311 176.870 -0.318 0.000 1.080 59 L CA 0.058 54.600 54.840 -0.498 0.000 0.803 59 L CB 1.319 42.869 42.059 -0.849 0.000 1.174 59 L HN 0.173 7.925 8.230 -0.797 0.000 0.443 60 T N -2.302 112.139 114.554 -0.188 0.000 2.804 60 T HA 0.259 4.706 4.350 -0.086 -0.149 0.290 60 T C -1.029 173.646 174.700 -0.043 0.000 1.099 60 T CA -2.588 59.456 62.100 -0.093 0.000 1.011 60 T CB 2.396 71.228 68.868 -0.060 0.000 1.291 60 T HN -0.025 8.116 8.240 -0.165 0.000 0.523 61 N N -3.226 115.472 118.700 -0.003 0.000 2.740 61 N HA -0.371 4.392 4.740 0.039 0.000 0.248 61 N C -1.329 174.214 175.510 0.055 0.000 1.062 61 N CA 1.306 54.375 53.050 0.032 0.000 0.704 61 N CB -1.763 36.747 38.487 0.038 0.000 0.968 61 N HN 0.261 8.639 8.380 -0.003 0.000 0.547 62 L N -3.820 117.427 121.223 0.040 0.000 2.330 62 L HA 0.126 4.539 4.340 0.122 0.000 0.271 62 L C -0.498 176.495 176.870 0.205 0.000 1.013 62 L CA -1.463 53.414 54.840 0.063 0.000 0.816 62 L CB 2.018 43.950 42.059 -0.213 0.000 1.287 62 L HN -0.309 7.843 8.230 0.027 0.094 0.435 63 N N 3.228 122.165 118.700 0.395 0.000 2.452 63 N HA -0.006 4.847 4.740 0.188 0.000 0.266 63 N C -2.011 173.660 175.510 0.268 0.000 1.175 63 N CA -1.434 51.785 53.050 0.282 0.000 0.945 63 N CB 0.458 39.092 38.487 0.245 0.000 1.063 63 N HN 0.729 9.495 8.380 0.644 0.000 0.472 64 P HA -0.072 4.619 4.420 0.151 -0.181 0.268 64 P C -0.342 177.019 177.300 0.103 0.000 1.204 64 P CA 0.025 63.203 63.100 0.132 0.000 0.768 64 P CB 0.536 32.288 31.700 0.087 0.000 0.842 65 G N 3.790 112.643 108.800 0.088 0.000 2.417 65 G HA2 -0.390 3.776 3.960 0.029 0.000 0.291 65 G HA3 -0.390 3.590 3.960 0.032 0.000 0.291 65 G C -1.365 173.543 174.900 0.013 0.000 1.094 65 G CA 0.252 45.376 45.100 0.041 0.000 1.146 65 G HN 0.391 8.663 8.290 0.101 0.078 0.519 66 T N -0.384 114.170 114.554 0.001 0.000 2.885 66 T HA 0.092 4.356 4.350 -0.142 0.000 0.322 66 T C -2.190 172.366 174.700 -0.241 0.000 1.387 66 T CA -0.772 61.236 62.100 -0.154 0.000 1.041 66 T CB 2.857 71.562 68.868 -0.271 0.000 1.287 66 T HN -0.657 7.684 8.240 0.052 -0.070 0.491 67 E N 4.135 124.148 120.200 -0.312 0.000 2.194 67 E HA 0.045 4.408 4.350 -0.172 -0.116 0.284 67 E C -1.627 174.737 176.600 -0.394 0.000 1.035 67 E CA -0.143 56.099 56.400 -0.262 0.000 0.836 67 E CB 0.451 30.027 29.700 -0.207 0.000 1.070 67 E HN 0.231 8.411 8.360 -0.301 0.000 0.401 68 Y N 3.694 123.919 120.300 -0.124 0.000 2.377 68 Y HA 0.046 4.582 4.550 -0.024 0.000 0.339 68 Y C -1.172 174.692 175.900 -0.059 0.000 1.011 68 Y CA -0.681 57.398 58.100 -0.035 0.000 1.093 68 Y CB 3.196 41.706 38.460 0.083 0.000 1.201 68 Y HN 0.856 9.013 8.280 -0.022 0.110 0.455 69 V N 3.834 123.746 119.914 -0.004 0.000 2.383 69 V HA 0.097 4.174 4.120 -0.072 0.000 0.275 69 V C -1.161 174.954 176.094 0.035 0.000 1.036 69 V CA -0.921 61.291 62.300 -0.147 0.000 0.889 69 V CB -0.239 31.270 31.823 -0.524 0.000 0.985 69 V HN 1.164 9.189 8.190 -0.067 0.125 0.459 70 V N 9.884 129.879 119.914 0.134 0.000 2.540 70 V HA 0.465 4.893 4.120 0.306 -0.125 0.302 70 V C -1.210 174.954 176.094 0.117 0.000 1.035 70 V CA -1.805 60.635 62.300 0.233 0.000 0.873 70 V CB 2.325 34.361 31.823 0.356 0.000 0.992 70 V HN 0.331 8.568 8.190 0.079 0.000 0.428 71 S N 5.811 121.578 115.700 0.112 0.000 2.482 71 S HA 0.912 5.530 4.470 -0.026 -0.164 0.303 71 S C -1.009 173.566 174.600 -0.042 0.000 1.091 71 S CA -2.118 56.095 58.200 0.022 0.000 1.057 71 S CB 2.781 66.009 63.200 0.048 0.000 1.031 71 S HN 1.100 9.402 8.310 0.167 0.109 0.485 72 I N 2.995 123.495 120.570 -0.117 0.000 2.378 72 I HA 0.480 4.622 4.170 -0.276 -0.137 0.291 72 I C -1.657 174.376 176.117 -0.140 0.000 0.992 72 I CA -2.087 59.061 61.300 -0.253 0.000 1.154 72 I CB 1.865 39.560 38.000 -0.508 0.000 1.315 72 I HN 1.071 9.103 8.210 -0.101 0.117 0.448 73 I N 5.140 125.663 120.570 -0.078 0.000 2.406 73 I HA 0.265 4.429 4.170 -0.010 0.000 0.290 73 I C -1.727 174.432 176.117 0.069 0.000 0.999 73 I CA -2.662 58.634 61.300 -0.006 0.000 1.124 73 I CB 2.159 40.155 38.000 -0.007 0.000 1.289 73 I HN 0.220 8.377 8.210 -0.088 0.000 0.441 74 A N 8.157 131.032 122.820 0.093 0.000 2.274 74 A HA 0.315 4.725 4.320 0.150 0.000 0.309 74 A C -1.138 176.446 177.584 0.000 0.000 1.226 74 A CA -1.412 50.694 52.037 0.114 0.000 0.853 74 A CB 1.398 20.506 19.000 0.180 0.000 1.146 74 A HN 0.599 8.785 8.150 0.060 0.000 0.518 75 V N -2.119 117.751 119.914 -0.073 0.000 2.735 75 V HA 0.685 4.897 4.120 -0.033 -0.112 0.310 75 V C -1.988 174.056 176.094 -0.084 0.000 1.061 75 V CA -2.785 59.479 62.300 -0.061 0.000 0.913 75 V CB 3.053 34.845 31.823 -0.052 0.000 1.005 75 V HN -0.099 7.999 8.190 -0.154 0.000 0.428 76 N N 3.944 122.613 118.700 -0.053 0.000 2.480 76 N HA 0.102 4.897 4.740 -0.070 -0.097 0.281 76 N C 0.042 175.530 175.510 -0.036 0.000 1.381 76 N CA -1.206 51.814 53.050 -0.050 0.000 0.903 76 N CB 1.477 39.945 38.487 -0.032 0.000 1.274 76 N HN 0.658 8.913 8.380 -0.036 0.104 0.505 77 G N 1.731 110.509 108.800 -0.037 0.000 4.315 77 G HA2 -0.433 3.511 3.960 -0.027 0.000 0.280 77 G HA3 -0.433 3.513 3.960 -0.023 0.000 0.280 77 G C 0.011 174.900 174.900 -0.019 0.000 1.649 77 G CA 0.966 46.050 45.100 -0.026 0.000 1.108 77 G HN -0.180 8.018 8.290 -0.044 0.065 0.667 78 R N 3.912 124.403 120.500 -0.015 0.000 2.300 78 R HA 0.042 4.375 4.340 -0.011 0.000 0.199 78 R C -0.909 175.385 176.300 -0.010 0.000 0.920 78 R CA 0.382 56.475 56.100 -0.011 0.000 1.046 78 R CB 0.364 30.658 30.300 -0.009 0.000 0.984 78 R HN 0.116 8.377 8.270 -0.015 0.000 0.493 79 E N 0.058 120.251 120.200 -0.011 0.000 2.195 79 E HA 0.177 4.524 4.350 -0.006 0.000 0.271 79 E C -1.642 174.952 176.600 -0.009 0.000 0.923 79 E CA -1.089 55.306 56.400 -0.008 0.000 0.790 79 E CB 2.328 32.025 29.700 -0.005 0.000 1.155 79 E HN -0.496 7.802 8.360 -0.015 0.053 0.402 80 E N 3.567 123.764 120.200 -0.005 0.000 2.199 80 E HA 0.516 4.969 4.350 -0.008 -0.108 0.269 80 E C -0.665 175.939 176.600 0.005 0.000 0.899 80 E CA -1.306 55.092 56.400 -0.003 0.000 0.772 80 E CB 3.292 32.989 29.700 -0.004 0.000 1.155 80 E HN 0.346 8.705 8.360 -0.003 0.000 0.408 81 S N 4.504 120.212 115.700 0.013 0.000 2.693 81 S HA 0.324 4.807 4.470 0.021 0.000 0.276 81 S C -1.563 173.049 174.600 0.021 0.000 1.192 81 S CA -1.592 56.623 58.200 0.025 0.000 0.994 81 S CB -0.640 62.588 63.200 0.046 0.000 1.012 81 S HN 0.684 8.893 8.310 0.012 0.108 0.550 82 P HA 0.177 4.602 4.420 0.008 0.000 0.267 82 P C -2.091 175.214 177.300 0.009 0.000 1.205 82 P CA -0.981 62.127 63.100 0.013 0.000 0.765 82 P CB -1.212 30.497 31.700 0.015 0.000 0.828 83 P HA -0.059 4.352 4.420 -0.014 0.000 0.269 83 P C -1.198 176.087 177.300 -0.025 0.000 1.217 83 P CA -0.488 62.604 63.100 -0.014 0.000 0.783 83 P CB 0.781 32.472 31.700 -0.014 0.000 0.898 84 L N 2.198 123.393 121.223 -0.046 0.000 2.406 84 L HA 0.451 4.755 4.340 -0.060 0.000 0.272 84 L C -2.111 174.690 176.870 -0.115 0.000 0.980 84 L CA -0.272 54.527 54.840 -0.069 0.000 0.831 84 L CB 3.326 45.353 42.059 -0.052 0.000 1.253 84 L HN 0.121 8.320 8.230 -0.052 0.000 0.406 85 I N 4.761 125.238 120.570 -0.156 0.000 2.545 85 I HA 0.778 5.008 4.170 -0.176 -0.166 0.292 85 I C -0.249 175.646 176.117 -0.371 0.000 1.040 85 I CA -1.694 59.488 61.300 -0.196 0.000 1.068 85 I CB 3.708 41.650 38.000 -0.097 0.000 1.251 85 I HN 0.294 8.420 8.210 -0.140 0.000 0.424 86 G N 4.784 113.271 108.800 -0.521 0.000 2.694 86 G HA2 0.361 4.037 3.960 -0.474 0.000 0.290 86 G HA3 0.361 3.435 3.960 -1.478 0.000 0.290 86 G C -2.857 171.870 174.900 -0.289 0.000 1.386 86 G CA -0.265 44.420 45.100 -0.691 0.000 0.872 86 G HN 0.366 8.430 8.290 -0.378 0.000 0.475 87 Q N -1.349 118.366 119.800 -0.143 0.000 2.337 87 Q HA 0.626 5.104 4.340 -0.016 -0.148 0.266 87 Q C -0.886 175.143 176.000 0.049 0.000 1.023 87 Q CA -1.260 54.525 55.803 -0.031 0.000 0.829 87 Q CB 3.167 31.867 28.738 -0.064 0.000 1.306 87 Q HN 0.018 8.197 8.270 -0.152 0.000 0.449 88 Q N 3.302 123.111 119.800 0.015 0.000 2.347 88 Q HA 0.298 4.628 4.340 -0.018 0.000 0.271 88 Q C -2.209 173.655 176.000 -0.227 0.000 1.064 88 Q CA -1.217 54.529 55.803 -0.094 0.000 0.800 88 Q CB 3.844 32.477 28.738 -0.175 0.000 1.304 88 Q HN 0.367 8.644 8.270 0.012 0.000 0.438 89 A N 5.409 128.119 122.820 -0.184 0.000 2.292 89 A HA 0.705 5.136 4.320 -0.128 -0.187 0.319 89 A C -0.555 176.930 177.584 -0.164 0.000 1.206 89 A CA -1.642 50.308 52.037 -0.145 0.000 0.835 89 A CB 1.361 20.310 19.000 -0.085 0.000 1.164 89 A HN 0.255 8.328 8.150 -0.129 0.000 0.505 90 T N 4.963 119.471 114.554 -0.076 0.000 2.901 90 T HA -0.055 4.238 4.350 -0.095 0.000 0.301 90 T C 0.440 175.154 174.700 0.022 0.000 1.012 90 T CA -0.214 61.879 62.100 -0.011 0.000 1.135 90 T CB 0.291 69.266 68.868 0.177 0.000 0.936 90 T HN 0.701 8.836 8.240 0.013 0.113 0.539 91 V N 3.738 123.673 119.914 0.034 0.000 3.708 91 V HA -0.323 3.812 4.120 0.026 0.000 0.296 91 V C -0.373 175.747 176.094 0.044 0.000 1.174 91 V CA 2.030 64.353 62.300 0.039 0.000 1.296 91 V CB 0.037 31.892 31.823 0.054 0.000 1.086 91 V HN 0.002 8.217 8.190 0.043 0.000 0.502 92 S N -0.685 115.039 115.700 0.040 0.000 2.509 92 S HA 0.147 4.639 4.470 0.037 0.000 0.297 92 S C 0.552 175.177 174.600 0.043 0.000 1.118 92 S CA -0.844 57.378 58.200 0.036 0.000 1.074 92 S CB 1.865 65.080 63.200 0.025 0.000 1.038 92 S HN 0.083 8.417 8.310 0.040 0.000 0.498 93 D N 4.373 124.795 120.400 0.037 0.000 2.117 93 D HA -0.192 4.472 4.640 0.040 0.000 0.197 93 D C 0.014 176.333 176.300 0.031 0.000 0.987 93 D CA 2.120 56.140 54.000 0.032 0.000 0.829 93 D CB 0.162 40.974 40.800 0.019 0.000 0.961 93 D HN 0.393 8.784 8.370 0.034 0.000 0.460 94 I N -0.315 120.267 120.570 0.020 0.000 2.648 94 I HA -0.115 4.056 4.170 0.003 0.000 0.284 94 I C -1.120 175.028 176.117 0.052 0.000 1.153 94 I CA -1.711 59.597 61.300 0.013 0.000 1.426 94 I CB -0.194 37.796 38.000 -0.017 0.000 1.381 94 I HN -0.515 7.703 8.210 0.014 0.000 0.571 95 P HA 0.011 4.537 4.420 0.176 0.000 0.286 95 P C -1.200 176.160 177.300 0.099 0.000 1.278 95 P CA -0.021 63.166 63.100 0.145 0.000 0.785 95 P CB 0.924 32.737 31.700 0.187 0.000 1.269 96 R N -2.472 118.109 120.500 0.136 0.000 2.733 96 R HA 0.178 4.554 4.340 0.059 0.000 0.272 96 R C -1.206 175.165 176.300 0.119 0.000 1.029 96 R CA -0.945 55.209 56.100 0.091 0.000 0.888 96 R CB 2.511 32.850 30.300 0.065 0.000 1.251 96 R HN -0.195 8.202 8.270 0.211 0.000 0.464 97 D N -1.870 118.579 120.400 0.082 0.000 2.835 97 D HA -0.263 4.413 4.640 0.060 0.000 0.230 97 D C -1.875 174.500 176.300 0.125 0.000 1.130 97 D CA 0.817 54.868 54.000 0.085 0.000 0.738 97 D CB -0.219 40.625 40.800 0.074 0.000 1.090 97 D HN 0.306 8.711 8.370 0.057 0.000 0.433 98 L N -0.827 120.461 121.223 0.108 0.000 2.515 98 L HA 0.043 4.653 4.340 0.208 -0.145 0.281 98 L C -0.770 176.157 176.870 0.094 0.000 1.131 98 L CA 0.620 55.529 54.840 0.114 0.000 0.905 98 L CB 0.078 42.148 42.059 0.020 0.000 1.246 98 L HN -0.277 7.996 8.230 0.072 0.000 0.463 99 E N 6.265 126.535 120.200 0.118 0.000 2.454 99 E HA 0.179 4.586 4.350 0.096 0.000 0.279 99 E C -2.182 174.480 176.600 0.102 0.000 1.029 99 E CA -1.708 54.750 56.400 0.098 0.000 0.831 99 E CB 4.414 34.160 29.700 0.077 0.000 1.405 99 E HN -0.078 8.376 8.360 0.157 0.000 0.463 100 V N 0.913 120.891 119.914 0.106 0.000 2.472 100 V HA 0.496 4.888 4.120 0.065 -0.232 0.290 100 V C 0.234 176.372 176.094 0.073 0.000 1.037 100 V CA -0.082 62.270 62.300 0.087 0.000 0.908 100 V CB 1.277 33.171 31.823 0.119 0.000 0.985 100 V HN 0.421 8.686 8.190 0.125 0.000 0.454 101 I N 3.223 123.821 120.570 0.045 0.000 3.941 101 I HA 0.286 4.476 4.170 0.033 0.000 0.321 101 I C -0.836 175.297 176.117 0.027 0.000 1.284 101 I CA -0.822 60.495 61.300 0.029 0.000 1.226 101 I CB 1.061 39.066 38.000 0.008 0.000 1.045 101 I HN 0.158 8.390 8.210 0.037 0.000 0.420 102 A N 0.086 122.922 122.820 0.027 0.000 2.475 102 A HA 0.304 4.640 4.320 0.026 0.000 0.301 102 A C -2.448 175.155 177.584 0.032 0.000 1.059 102 A CA -0.718 51.332 52.037 0.022 0.000 0.710 102 A CB 2.400 21.401 19.000 0.002 0.000 1.288 102 A HN -0.663 7.463 8.150 0.025 0.040 0.408 103 S N -0.369 115.360 115.700 0.049 0.000 2.707 103 S HA 0.215 4.717 4.470 0.054 0.000 0.303 103 S C -1.116 173.512 174.600 0.046 0.000 1.132 103 S CA -0.894 57.357 58.200 0.085 0.000 1.046 103 S CB 0.938 64.247 63.200 0.182 0.000 1.004 103 S HN 0.195 8.529 8.310 0.040 0.000 0.483 104 T N 6.971 121.531 114.554 0.009 0.000 2.912 104 T HA 0.555 4.911 4.350 0.010 0.000 0.288 104 T C -0.438 174.260 174.700 -0.003 0.000 1.030 104 T CA -3.533 58.566 62.100 -0.002 0.000 1.020 104 T CB -0.286 68.568 68.868 -0.023 0.000 1.056 104 T HN 0.417 8.640 8.240 -0.028 0.000 0.480 105 P HA -0.162 4.265 4.420 0.012 0.000 0.216 105 P C -0.118 177.162 177.300 -0.032 0.000 1.154 105 P CA 2.397 65.496 63.100 -0.003 0.000 0.865 105 P CB 0.089 31.788 31.700 -0.001 0.000 0.789 106 T N -10.905 103.624 114.554 -0.042 0.000 3.132 106 T HA 0.335 4.779 4.350 -0.089 -0.147 0.274 106 T C -1.127 173.527 174.700 -0.075 0.000 1.011 106 T CA -1.637 60.427 62.100 -0.060 0.000 0.899 106 T CB 0.679 69.533 68.868 -0.023 0.000 1.089 106 T HN -0.114 8.100 8.240 -0.030 0.009 0.543 107 S N 0.456 116.101 115.700 -0.092 0.000 2.596 107 S HA 0.803 5.333 4.470 -0.115 -0.129 0.270 107 S C -2.526 171.975 174.600 -0.164 0.000 1.155 107 S CA -0.829 57.305 58.200 -0.109 0.000 0.827 107 S CB 2.963 66.128 63.200 -0.059 0.000 1.130 107 S HN -0.630 7.448 8.310 -0.078 0.185 0.467 108 L N -3.598 117.501 121.223 -0.206 0.000 2.415 108 L HA 0.417 4.655 4.340 -0.170 0.000 0.256 108 L C -2.366 174.421 176.870 -0.138 0.000 1.010 108 L CA -1.151 53.546 54.840 -0.239 0.000 0.826 108 L CB 3.941 45.679 42.059 -0.535 0.000 1.405 108 L HN 0.752 8.765 8.230 -0.184 0.107 0.410 109 L N 2.549 123.724 121.223 -0.080 0.000 2.275 109 L HA 0.530 4.962 4.340 -0.012 -0.099 0.288 109 L C -1.658 175.222 176.870 0.017 0.000 1.046 109 L CA -1.702 53.126 54.840 -0.020 0.000 0.805 109 L CB 1.635 43.689 42.059 -0.010 0.000 1.193 109 L HN 0.020 8.205 8.230 -0.074 0.000 0.426 110 I N 0.912 121.535 120.570 0.089 0.000 2.441 110 I HA 0.757 5.162 4.170 0.128 -0.158 0.295 110 I C -1.115 175.156 176.117 0.257 0.000 0.994 110 I CA -1.838 59.574 61.300 0.187 0.000 1.144 110 I CB 2.214 40.365 38.000 0.251 0.000 1.314 110 I HN 1.105 9.271 8.210 0.105 0.107 0.445 111 S N 3.429 119.275 115.700 0.244 0.000 2.541 111 S HA 0.509 4.874 4.470 -0.174 0.000 0.280 111 S C -1.778 172.964 174.600 0.236 0.000 1.112 111 S CA -0.333 57.908 58.200 0.069 0.000 0.925 111 S CB 3.233 66.407 63.200 -0.043 0.000 1.067 111 S HN 0.323 8.768 8.310 0.225 0.000 0.479 112 W N 0.020 121.282 121.300 -0.064 0.000 3.137 112 W HA 0.425 5.297 4.660 -0.045 -0.239 0.324 112 W C -2.354 174.123 176.519 -0.071 0.000 1.253 112 W CA -1.572 55.733 57.345 -0.066 0.000 1.183 112 W CB 2.326 31.733 29.460 -0.089 0.000 1.424 112 W HN 0.178 7.896 8.180 -0.769 0.000 0.566 113 E N -0.406 119.848 120.200 0.090 0.000 2.197 113 E HA 0.433 4.701 4.350 -0.137 0.000 0.281 113 E C -1.679 175.002 176.600 0.136 0.000 0.995 113 E CA -3.049 53.352 56.400 0.001 0.000 0.808 113 E CB 0.120 29.837 29.700 0.028 0.000 1.093 113 E HN 0.420 8.900 8.360 0.200 0.000 0.394 114 P HA 0.033 4.652 4.420 0.332 0.000 0.266 114 P C -1.908 175.500 177.300 0.180 0.000 1.195 114 P CA -1.284 61.933 63.100 0.196 0.000 0.768 114 P CB -0.866 30.910 31.700 0.126 0.000 0.838 115 P HA -0.091 4.402 4.420 0.122 0.000 0.300 115 P C -0.848 176.516 177.300 0.108 0.000 1.294 115 P CA -0.600 62.586 63.100 0.144 0.000 0.757 115 P CB 0.802 32.585 31.700 0.139 0.000 1.377 116 A N -0.956 121.915 122.820 0.085 0.000 2.460 116 A HA 0.270 4.632 4.320 0.070 0.000 0.258 116 A C -0.964 176.660 177.584 0.067 0.000 1.300 116 A CA -0.120 51.960 52.037 0.072 0.000 0.913 116 A CB 0.496 19.536 19.000 0.067 0.000 1.031 116 A HN 0.317 8.516 8.150 0.080 0.000 0.512 117 V N -6.683 113.273 119.914 0.070 0.000 3.074 117 V HA 0.300 4.449 4.120 0.049 0.000 0.314 117 V C -1.546 174.582 176.094 0.056 0.000 1.117 117 V CA -2.867 59.464 62.300 0.053 0.000 1.014 117 V CB 2.518 34.364 31.823 0.037 0.000 1.057 117 V HN -0.850 7.308 8.190 0.084 0.083 0.438 118 S N 1.142 116.867 115.700 0.042 0.000 2.533 118 S HA -0.039 4.472 4.470 0.069 0.000 0.282 118 S C -0.547 174.060 174.600 0.012 0.000 1.304 118 S CA -0.032 58.195 58.200 0.045 0.000 1.063 118 S CB 0.515 63.737 63.200 0.036 0.000 0.881 118 S HN -0.021 8.310 8.310 0.034 0.000 0.493 119 V N 5.657 125.582 119.914 0.018 0.000 2.495 119 V HA 0.097 4.105 4.120 -0.187 0.000 0.298 119 V C -0.109 175.937 176.094 -0.079 0.000 1.031 119 V CA -1.043 61.173 62.300 -0.140 0.000 0.871 119 V CB 1.386 33.005 31.823 -0.340 0.000 0.988 119 V HN 0.291 8.534 8.190 0.088 0.000 0.432 120 R N 4.505 124.951 120.500 -0.090 0.000 2.062 120 R HA -0.132 4.264 4.340 0.094 0.000 0.229 120 R C -0.100 176.308 176.300 0.180 0.000 1.128 120 R CA 1.704 57.850 56.100 0.077 0.000 0.960 120 R CB 0.848 31.240 30.300 0.153 0.000 0.855 120 R HN 0.049 8.226 8.270 -0.154 0.000 0.432 121 Y N -7.553 112.651 120.300 -0.160 0.000 2.741 121 Y HA 0.461 5.344 4.550 0.195 -0.216 0.339 121 Y C -2.892 172.832 175.900 -0.293 0.000 1.226 121 Y CA -1.545 56.532 58.100 -0.038 0.000 1.072 121 Y CB 1.405 39.893 38.460 0.045 0.000 1.331 121 Y HN -0.579 7.476 8.280 -0.376 0.000 0.453 122 Y N -1.925 118.298 120.300 -0.127 0.000 2.409 122 Y HA 0.534 4.872 4.550 -0.524 -0.102 0.343 122 Y C -0.936 174.882 175.900 -0.137 0.000 0.973 122 Y CA -1.705 56.205 58.100 -0.317 0.000 1.064 122 Y CB 3.162 41.453 38.460 -0.282 0.000 1.207 122 Y HN 0.143 8.715 8.280 0.671 0.111 0.452 123 R N 2.170 122.647 120.500 -0.038 0.000 2.312 123 R HA 0.337 4.849 4.340 0.093 -0.116 0.311 123 R C -1.422 174.812 176.300 -0.110 0.000 1.004 123 R CA -1.051 55.073 56.100 0.040 0.000 0.902 123 R CB 2.054 32.405 30.300 0.084 0.000 1.073 123 R HN 1.210 9.276 8.270 -0.137 0.121 0.457 124 I N 7.605 127.915 120.570 -0.433 0.000 2.433 124 I HA 0.626 4.793 4.170 -0.238 -0.140 0.292 124 I C -1.350 174.611 176.117 -0.261 0.000 1.001 124 I CA -1.399 59.604 61.300 -0.495 0.000 1.119 124 I CB 2.968 40.389 38.000 -0.966 0.000 1.289 124 I HN 0.754 8.595 8.210 -0.615 0.000 0.438 125 T N 4.966 119.531 114.554 0.017 0.000 2.895 125 T HA 0.486 5.076 4.350 0.205 -0.117 0.283 125 T C -0.595 174.257 174.700 0.254 0.000 1.014 125 T CA -2.620 59.585 62.100 0.174 0.000 1.037 125 T CB 1.609 70.588 68.868 0.185 0.000 1.006 125 T HN 1.164 9.287 8.240 0.022 0.130 0.468 126 Y N 2.628 123.013 120.300 0.142 0.000 2.313 126 Y HA 0.062 4.747 4.550 0.225 0.000 0.332 126 Y C 0.309 176.234 175.900 0.041 0.000 1.071 126 Y CA 0.619 58.819 58.100 0.167 0.000 1.169 126 Y CB 2.486 41.064 38.460 0.197 0.000 1.192 126 Y HN 0.933 9.374 8.280 0.484 0.129 0.487 127 G N 4.534 113.383 108.800 0.081 0.000 2.384 127 G HA2 0.185 4.096 3.960 -0.082 0.000 0.316 127 G HA3 0.185 4.242 3.960 -0.058 -0.131 0.316 127 G C -1.712 172.755 174.900 -0.721 0.000 1.160 127 G CA -1.058 43.961 45.100 -0.135 0.000 0.936 127 G HN -0.335 8.040 8.290 0.141 0.000 0.455 128 E N 6.891 126.711 120.200 -0.634 0.000 2.191 128 E HA 0.395 3.530 4.350 -2.025 0.000 0.274 128 E C -0.412 175.971 176.600 -0.361 0.000 0.948 128 E CA -1.216 54.649 56.400 -0.891 0.000 0.802 128 E CB 2.659 32.100 29.700 -0.431 0.000 1.137 128 E HN -0.367 7.804 8.360 -0.314 0.000 0.397 129 T N 2.233 116.664 114.554 -0.205 0.000 2.176 129 T HA -0.355 4.031 4.350 -0.006 -0.040 0.197 129 T C 1.284 175.957 174.700 -0.046 0.000 1.683 129 T CA 3.017 65.094 62.100 -0.039 0.000 1.094 129 T CB -0.209 68.678 68.868 0.032 0.000 0.846 129 T HN -0.031 8.093 8.240 -0.193 0.000 0.404 130 G N -2.888 105.895 108.800 -0.029 0.000 2.650 130 G HA2 -0.069 3.883 3.960 -0.014 0.000 0.214 130 G HA3 -0.069 3.886 3.960 -0.009 0.000 0.214 130 G C 1.099 175.980 174.900 -0.032 0.000 1.136 130 G CA -0.157 44.931 45.100 -0.020 0.000 0.789 130 G HN -0.138 8.143 8.290 -0.016 0.000 0.536 131 G N 0.835 109.600 108.800 -0.059 0.000 3.266 131 G HA2 -0.219 3.722 3.960 -0.032 0.000 0.238 131 G HA3 -0.219 3.695 3.960 -0.077 0.000 0.238 131 G C 0.026 174.898 174.900 -0.047 0.000 1.076 131 G CA -0.674 44.393 45.100 -0.055 0.000 1.804 131 G HN 0.094 8.193 8.290 -0.082 0.141 0.600 132 N N 1.687 120.369 118.700 -0.030 0.000 2.104 132 N HA -0.244 4.485 4.740 -0.019 0.000 0.190 132 N C 0.488 175.996 175.510 -0.003 0.000 1.024 132 N CA 2.546 55.587 53.050 -0.015 0.000 0.853 132 N CB 0.293 38.776 38.487 -0.007 0.000 1.008 132 N HN 0.460 8.691 8.380 -0.026 0.134 0.424 133 S N -0.693 115.005 115.700 -0.003 0.000 2.444 133 S HA 0.313 4.788 4.470 0.008 0.000 0.223 133 S C -1.152 173.449 174.600 0.002 0.000 1.054 133 S CA 1.867 60.068 58.200 0.002 0.000 0.947 133 S CB -0.200 63.000 63.200 0.000 0.000 0.850 133 S HN -0.061 8.237 8.310 -0.007 0.008 0.527 134 P HA 0.020 4.440 4.420 -0.001 0.000 0.277 134 P C -1.065 176.237 177.300 0.004 0.000 1.617 134 P CA -1.005 62.094 63.100 -0.002 0.000 0.829 134 P CB -1.726 29.971 31.700 -0.006 0.000 1.774 135 V N -1.275 118.649 119.914 0.017 0.000 2.963 135 V HA -0.057 4.160 4.120 0.042 -0.072 0.306 135 V C -0.800 175.335 176.094 0.067 0.000 1.077 135 V CA -1.208 61.122 62.300 0.050 0.000 1.124 135 V CB 0.918 32.782 31.823 0.068 0.000 0.987 135 V HN -0.011 8.061 8.190 0.015 0.126 0.487 136 Q N 4.209 124.082 119.800 0.121 0.000 2.307 136 Q HA 0.297 4.655 4.340 0.030 0.000 0.262 136 Q C -1.318 174.798 176.000 0.193 0.000 0.961 136 Q CA -1.182 54.657 55.803 0.060 0.000 0.882 136 Q CB 1.905 30.566 28.738 -0.127 0.000 1.264 136 Q HN -0.160 8.235 8.270 0.208 0.000 0.446 137 E N 2.564 122.852 120.200 0.147 0.000 2.263 137 E HA 0.980 5.685 4.350 0.287 -0.183 0.264 137 E C -1.296 175.446 176.600 0.236 0.000 0.923 137 E CA -2.321 54.189 56.400 0.182 0.000 0.802 137 E CB 3.276 33.002 29.700 0.044 0.000 1.228 137 E HN 0.203 8.610 8.360 0.078 0.000 0.417 138 F N -2.523 117.515 119.950 0.146 0.000 2.613 138 F HA 0.532 5.098 4.527 0.066 0.000 0.310 138 F C -1.954 173.934 175.800 0.147 0.000 1.085 138 F CA -2.100 55.969 58.000 0.116 0.000 0.945 138 F CB 2.180 41.263 39.000 0.137 0.000 1.298 138 F HN 0.509 8.639 8.300 -0.282 0.000 0.455 139 T N -1.222 113.454 114.554 0.204 0.000 2.847 139 T HA 0.237 4.792 4.350 0.176 -0.099 0.279 139 T C -0.859 174.038 174.700 0.327 0.000 0.984 139 T CA -1.653 60.550 62.100 0.172 0.000 0.988 139 T CB 1.073 69.928 68.868 -0.023 0.000 1.040 139 T HN 0.235 8.626 8.240 0.252 0.000 0.528 140 V N 0.619 120.787 119.914 0.425 0.000 2.385 140 V HA 0.448 4.826 4.120 0.431 0.000 0.277 140 V C -1.800 174.589 176.094 0.492 0.000 1.012 140 V CA -3.025 59.548 62.300 0.455 0.000 0.832 140 V CB 2.073 34.160 31.823 0.440 0.000 1.028 140 V HN -0.149 8.423 8.190 0.637 0.000 0.436 141 P HA -0.013 4.589 4.420 0.303 0.000 0.297 141 P C 0.019 177.514 177.300 0.326 0.000 1.544 141 P CA -0.140 63.137 63.100 0.294 0.000 0.798 141 P CB -2.115 29.695 31.700 0.184 0.000 1.757 142 G N -0.746 108.341 108.800 0.480 0.000 2.393 142 G HA2 -0.303 4.029 3.960 0.621 0.000 0.304 142 G HA3 -0.303 3.966 3.960 0.515 0.000 0.304 142 G C 0.489 175.553 174.900 0.274 0.000 0.977 142 G CA 0.985 46.385 45.100 0.501 0.000 0.803 142 G HN 0.441 8.968 8.290 0.612 0.131 0.511 143 S N -2.231 113.604 115.700 0.225 0.000 2.383 143 S HA -0.154 4.387 4.470 0.119 0.000 0.227 143 S C 0.288 174.936 174.600 0.081 0.000 1.026 143 S CA 1.675 59.956 58.200 0.136 0.000 0.981 143 S CB 0.852 64.127 63.200 0.124 0.000 0.818 143 S HN -0.281 8.118 8.310 0.265 0.070 0.472 144 K N -0.103 120.341 120.400 0.074 0.000 2.477 144 K HA 0.134 4.409 4.320 -0.076 0.000 0.255 144 K C -0.588 175.871 176.600 -0.234 0.000 0.952 144 K CA -1.061 55.190 56.287 -0.060 0.000 0.826 144 K CB 2.134 34.601 32.500 -0.055 0.000 1.331 144 K HN -0.626 7.701 8.250 0.150 0.013 0.437 145 S N -0.429 114.976 115.700 -0.491 0.000 2.561 145 S HA -0.114 3.698 4.470 -1.097 0.000 0.225 145 S C -0.630 172.682 174.600 -2.147 0.000 0.977 145 S CA 1.925 59.439 58.200 -1.143 0.000 0.926 145 S CB 0.426 63.150 63.200 -0.793 0.000 0.769 145 S HN 0.342 8.435 8.310 -0.362 0.000 0.533 146 T N -1.899 111.980 114.554 -1.124 0.000 2.907 146 T HA 0.466 4.255 4.350 -1.063 -0.077 0.292 146 T C -1.774 172.869 174.700 -0.095 0.000 1.043 146 T CA -1.830 59.832 62.100 -0.730 0.000 1.003 146 T CB 2.964 71.626 68.868 -0.344 0.000 1.084 146 T HN -0.790 7.013 8.240 -0.631 0.059 0.483 147 A N -0.451 122.537 122.820 0.279 0.000 2.569 147 A HA 0.341 4.775 4.320 0.190 0.000 0.290 147 A C -2.326 175.359 177.584 0.170 0.000 1.136 147 A CA -0.938 51.278 52.037 0.298 0.000 0.710 147 A CB 2.934 22.259 19.000 0.543 0.000 1.303 147 A HN 0.631 8.912 8.150 0.399 0.109 0.413 148 T N 0.512 115.108 114.554 0.071 0.000 2.823 148 T HA 0.582 5.056 4.350 0.003 -0.123 0.279 148 T C -0.871 173.781 174.700 -0.080 0.000 0.998 148 T CA -1.436 60.659 62.100 -0.008 0.000 0.994 148 T CB 1.250 70.100 68.868 -0.029 0.000 0.960 148 T HN 0.003 8.277 8.240 0.057 0.000 0.448 149 I N 7.629 128.144 120.570 -0.091 0.000 2.339 149 I HA 0.154 4.247 4.170 -0.128 0.000 0.290 149 I C -1.607 174.502 176.117 -0.013 0.000 0.994 149 I CA -2.411 58.814 61.300 -0.125 0.000 1.191 149 I CB -0.545 37.270 38.000 -0.309 0.000 1.343 149 I HN 1.085 9.130 8.210 -0.089 0.112 0.458 150 N N 7.003 125.802 118.700 0.164 0.000 2.453 150 N HA 0.350 5.249 4.740 0.050 -0.128 0.290 150 N C -0.283 175.358 175.510 0.219 0.000 1.250 150 N CA -1.810 51.307 53.050 0.113 0.000 0.815 150 N CB 2.668 41.163 38.487 0.013 0.000 1.381 150 N HN 0.769 9.307 8.380 0.263 0.000 0.510 151 N N -1.563 117.201 118.700 0.106 0.000 2.862 151 N HA -0.310 4.456 4.740 0.044 0.000 0.246 151 N C -1.725 173.909 175.510 0.207 0.000 1.111 151 N CA 1.104 54.203 53.050 0.082 0.000 0.688 151 N CB -0.597 37.859 38.487 -0.053 0.000 1.018 151 N HN 0.260 8.673 8.380 0.055 0.000 0.556 152 I N -1.510 119.142 120.570 0.138 0.000 2.404 152 I HA 0.124 4.496 4.170 0.337 0.000 0.293 152 I C -0.471 175.621 176.117 -0.042 0.000 0.992 152 I CA -1.350 59.958 61.300 0.013 0.000 1.149 152 I CB 2.361 40.130 38.000 -0.385 0.000 1.315 152 I HN -0.480 7.767 8.210 0.062 0.000 0.446 153 K N 6.905 127.384 120.400 0.132 0.000 2.383 153 K HA 0.128 4.499 4.320 0.085 0.000 0.286 153 K C -1.831 174.788 176.600 0.033 0.000 1.051 153 K CA -1.793 54.569 56.287 0.126 0.000 0.974 153 K CB -0.671 31.974 32.500 0.242 0.000 0.968 153 K HN 0.575 9.117 8.250 0.487 0.000 0.475 154 P HA -0.202 4.326 4.420 -0.027 -0.124 0.270 154 P C 0.796 178.123 177.300 0.046 0.000 1.223 154 P CA 0.115 63.218 63.100 0.006 0.000 0.785 154 P CB 0.142 31.848 31.700 0.009 0.000 0.923 155 G N -1.549 107.277 108.800 0.043 0.000 2.203 155 G HA2 -0.481 3.504 3.960 0.042 0.000 0.263 155 G HA3 -0.481 3.507 3.960 0.046 0.000 0.263 155 G C -1.245 173.709 174.900 0.089 0.000 1.012 155 G CA 0.257 45.389 45.100 0.054 0.000 0.749 155 G HN 0.607 8.806 8.290 0.030 0.109 0.512 156 A N -0.685 122.218 122.820 0.140 0.000 2.356 156 A HA 0.288 4.704 4.320 0.159 0.000 0.310 156 A C -1.579 176.201 177.584 0.326 0.000 1.075 156 A CA -1.496 50.678 52.037 0.227 0.000 0.746 156 A CB 2.340 21.538 19.000 0.330 0.000 1.221 156 A HN -0.265 7.917 8.150 0.118 0.039 0.443 157 D N 3.156 123.695 120.400 0.232 0.000 2.472 157 D HA -0.181 4.579 4.640 0.201 0.000 0.237 157 D C -1.791 174.728 176.300 0.365 0.000 1.141 157 D CA 0.938 55.074 54.000 0.225 0.000 0.875 157 D CB 0.569 41.436 40.800 0.110 0.000 1.192 157 D HN 0.161 8.627 8.370 0.159 0.000 0.450 158 Y N 1.538 121.912 120.300 0.124 0.000 2.605 158 Y HA 0.276 4.973 4.550 0.112 -0.080 0.343 158 Y C -0.277 175.696 175.900 0.122 0.000 1.036 158 Y CA -1.030 57.153 58.100 0.137 0.000 1.065 158 Y CB 5.454 44.023 38.460 0.181 0.000 1.288 158 Y HN 0.934 9.342 8.280 0.380 0.101 0.481 159 T N 3.996 118.638 114.554 0.147 0.000 2.881 159 T HA 0.397 4.946 4.350 0.136 -0.117 0.291 159 T C -1.474 173.279 174.700 0.088 0.000 0.990 159 T CA -0.354 61.809 62.100 0.105 0.000 0.976 159 T CB 1.834 70.725 68.868 0.039 0.000 0.970 159 T HN 0.147 8.237 8.240 0.021 0.163 0.438 160 I N 9.129 129.745 120.570 0.076 0.000 2.339 160 I HA 0.244 4.585 4.170 0.008 -0.166 0.290 160 I C -1.354 174.754 176.117 -0.015 0.000 0.994 160 I CA -1.292 60.016 61.300 0.014 0.000 1.191 160 I CB 1.290 39.277 38.000 -0.022 0.000 1.343 160 I HN 0.494 8.763 8.210 0.099 0.000 0.458 161 T N 8.941 123.482 114.554 -0.021 0.000 2.900 161 T HA 0.709 5.107 4.350 -0.128 -0.125 0.295 161 T C -1.705 172.928 174.700 -0.111 0.000 1.044 161 T CA -0.728 61.319 62.100 -0.089 0.000 0.995 161 T CB 2.934 71.761 68.868 -0.069 0.000 1.072 161 T HN 0.023 8.271 8.240 0.014 0.000 0.473 162 L N -0.619 120.445 121.223 -0.265 0.000 2.424 162 L HA 1.079 5.578 4.340 0.038 -0.136 0.258 162 L C -2.856 173.804 176.870 -0.349 0.000 0.995 162 L CA -0.766 53.958 54.840 -0.193 0.000 0.821 162 L CB 3.716 45.597 42.059 -0.297 0.000 1.383 162 L HN 0.331 8.356 8.230 -0.342 0.000 0.410 163 Y N -1.236 118.963 120.300 -0.168 0.000 2.446 163 Y HA 0.330 4.801 4.550 -0.132 0.000 0.345 163 Y C -1.238 174.523 175.900 -0.232 0.000 0.984 163 Y CA -1.681 56.324 58.100 -0.159 0.000 1.058 163 Y CB 3.176 41.558 38.460 -0.130 0.000 1.220 163 Y HN 0.939 9.294 8.280 0.334 0.125 0.455 164 A N 1.509 124.262 122.820 -0.112 0.000 2.292 164 A HA 0.292 4.306 4.320 -0.509 0.000 0.319 164 A C -2.492 174.842 177.584 -0.416 0.000 1.206 164 A CA -1.139 50.692 52.037 -0.343 0.000 0.835 164 A CB 1.556 20.422 19.000 -0.224 0.000 1.164 164 A HN 0.874 8.979 8.150 -0.076 0.000 0.505 165 V N 4.753 124.246 119.914 -0.701 0.000 2.409 165 V HA 0.432 4.378 4.120 -0.289 0.000 0.291 165 V C 0.064 175.919 176.094 -0.399 0.000 1.020 165 V CA -0.979 61.023 62.300 -0.498 0.000 0.848 165 V CB 2.239 33.719 31.823 -0.572 0.000 0.990 165 V HN 0.163 7.724 8.190 -1.048 0.000 0.430 166 T N 6.132 120.558 114.554 -0.213 0.000 3.234 166 T HA 0.130 4.480 4.350 -0.152 -0.091 0.235 166 T C 0.365 175.036 174.700 -0.049 0.000 0.971 166 T CA 0.214 62.236 62.100 -0.130 0.000 1.292 166 T CB 0.847 69.658 68.868 -0.095 0.000 0.994 166 T HN -0.197 7.943 8.240 -0.166 0.000 0.412 167 G N 0.870 109.650 108.800 -0.033 0.000 2.442 167 G HA2 -0.024 3.937 3.960 0.003 0.000 0.249 167 G HA3 -0.024 3.934 3.960 -0.004 0.000 0.249 167 G C -1.501 173.405 174.900 0.010 0.000 1.263 167 G CA -0.232 44.866 45.100 -0.004 0.000 0.846 167 G HN 0.082 8.345 8.290 -0.045 0.000 0.555 168 R N 1.254 121.768 120.500 0.023 0.000 2.680 168 R HA 0.095 4.455 4.340 0.035 0.000 0.269 168 R C 0.181 176.495 176.300 0.024 0.000 1.026 168 R CA -0.481 55.640 56.100 0.035 0.000 0.889 168 R CB 3.476 33.813 30.300 0.063 0.000 1.241 168 R HN 0.044 8.326 8.270 0.020 0.000 0.463 169 G N 4.276 113.088 108.800 0.020 0.000 4.933 169 G HA2 -0.365 3.601 3.960 0.010 0.000 0.285 169 G HA3 -0.365 3.603 3.960 0.013 0.000 0.285 169 G C -0.033 174.873 174.900 0.010 0.000 1.596 169 G CA 0.599 45.707 45.100 0.013 0.000 1.081 169 G HN 0.366 8.670 8.290 0.022 0.000 0.710 170 D N 3.915 124.321 120.400 0.010 0.000 2.103 170 D HA 0.029 4.673 4.640 0.007 0.000 0.199 170 D C 0.445 176.750 176.300 0.009 0.000 0.978 170 D CA 1.716 55.721 54.000 0.009 0.000 0.829 170 D CB 0.362 41.167 40.800 0.009 0.000 0.981 170 D HN 0.026 8.403 8.370 0.012 0.000 0.464 171 S N -1.082 114.624 115.700 0.009 0.000 2.204 171 S HA 0.434 4.909 4.470 0.008 0.000 0.147 171 S C -2.570 172.035 174.600 0.008 0.000 1.711 171 S CA -1.525 56.680 58.200 0.008 0.000 1.274 171 S CB 1.028 64.233 63.200 0.009 0.000 1.257 171 S HN -0.246 8.071 8.310 0.011 0.000 0.404 172 P HA 0.046 4.644 4.420 0.013 -0.170 0.267 172 P C -1.403 175.899 177.300 0.003 0.000 1.328 172 P CA -0.466 62.640 63.100 0.011 0.000 0.990 172 P CB -0.785 30.925 31.700 0.016 0.000 1.168 173 A N 6.275 129.092 122.820 -0.006 0.000 2.374 173 A HA 0.407 4.726 4.320 -0.003 0.000 0.317 173 A C -1.757 175.812 177.584 -0.025 0.000 1.094 173 A CA -0.850 51.182 52.037 -0.008 0.000 0.765 173 A CB 2.498 21.496 19.000 -0.003 0.000 1.268 173 A HN -0.265 7.880 8.150 -0.009 0.000 0.438 174 S N 0.530 116.220 115.700 -0.015 0.000 2.536 174 S HA 0.727 5.292 4.470 -0.067 -0.136 0.298 174 S C -0.007 174.589 174.600 -0.007 0.000 1.083 174 S CA -1.984 56.202 58.200 -0.024 0.000 0.995 174 S CB 2.818 66.026 63.200 0.013 0.000 1.058 174 S HN 0.027 8.337 8.310 -0.001 0.000 0.488 175 S N 2.971 118.656 115.700 -0.025 0.000 2.634 175 S HA 0.082 4.548 4.470 -0.008 0.000 0.261 175 S C -0.383 174.207 174.600 -0.017 0.000 1.271 175 S CA -0.250 57.939 58.200 -0.018 0.000 0.985 175 S CB 1.086 64.269 63.200 -0.027 0.000 0.968 175 S HN -0.122 8.157 8.310 -0.053 0.000 0.568 176 K N -0.379 120.007 120.400 -0.024 0.000 2.453 176 K HA 0.017 4.325 4.320 -0.020 0.000 0.280 176 K C -1.766 174.768 176.600 -0.110 0.000 1.045 176 K CA -1.230 55.032 56.287 -0.042 0.000 1.059 176 K CB -0.950 31.529 32.500 -0.036 0.000 0.901 176 K HN 0.212 8.452 8.250 -0.017 0.000 0.475 177 P HA -0.032 4.194 4.420 -0.477 -0.092 0.269 177 P C -1.348 175.754 177.300 -0.330 0.000 1.215 177 P CA -0.475 62.349 63.100 -0.461 0.000 0.780 177 P CB 0.782 31.911 31.700 -0.952 0.000 0.898 178 V N 3.151 122.866 119.914 -0.331 0.000 2.495 178 V HA 0.334 4.359 4.120 -0.159 0.000 0.298 178 V C -1.642 174.328 176.094 -0.207 0.000 1.031 178 V CA -1.401 60.777 62.300 -0.203 0.000 0.871 178 V CB 2.845 34.584 31.823 -0.141 0.000 0.988 178 V HN -0.105 7.841 8.190 -0.407 0.000 0.432 179 S N 4.883 120.501 115.700 -0.137 0.000 2.570 179 S HA 0.793 5.319 4.470 -0.112 -0.124 0.286 179 S C -1.254 173.322 174.600 -0.041 0.000 1.099 179 S CA -1.611 56.530 58.200 -0.097 0.000 0.913 179 S CB 2.525 65.674 63.200 -0.085 0.000 1.085 179 S HN 0.001 8.244 8.310 -0.111 0.000 0.480 180 I N -4.526 116.039 120.570 -0.009 0.000 2.969 180 I HA 0.497 4.678 4.170 0.018 0.000 0.307 180 I C -2.092 174.063 176.117 0.063 0.000 1.149 180 I CA -1.774 59.543 61.300 0.028 0.000 1.008 180 I CB 4.310 42.338 38.000 0.047 0.000 1.232 180 I HN 0.571 8.775 8.210 -0.010 0.000 0.435 181 N N 0.784 119.528 118.700 0.073 0.000 2.430 181 N HA 0.281 5.087 4.740 0.111 0.000 0.292 181 N C -1.500 174.104 175.510 0.156 0.000 1.051 181 N CA -0.555 52.554 53.050 0.098 0.000 0.917 181 N CB 1.434 39.952 38.487 0.052 0.000 1.164 181 N HN 0.011 8.425 8.380 0.056 0.000 0.484 182 Y N 3.873 124.215 120.300 0.070 0.000 2.421 182 Y HA 0.201 4.776 4.550 0.041 0.000 0.339 182 Y C -2.609 173.347 175.900 0.093 0.000 0.996 182 Y CA -1.168 56.972 58.100 0.066 0.000 1.046 182 Y CB 4.333 42.828 38.460 0.058 0.000 1.226 182 Y HN 1.150 9.476 8.280 0.272 0.118 0.445 183 K N 6.187 126.327 120.400 -0.433 0.000 2.172 183 K HA 0.145 4.505 4.320 0.066 0.000 0.276 183 K C -0.948 175.596 176.600 -0.093 0.000 1.013 183 K CA -1.162 55.032 56.287 -0.154 0.000 0.913 183 K CB 1.268 33.655 32.500 -0.187 0.000 1.055 183 K HN 0.151 7.878 8.250 -0.872 0.000 0.461 184 T N 0.000 114.622 114.554 0.113 0.000 3.816 184 T HA 0.000 4.492 4.350 0.237 0.000 0.228 184 T CA 0.000 62.167 62.100 0.112 0.000 1.349 184 T CB 0.000 68.825 68.868 -0.072 0.000 0.612 184 T HN 0.000 8.327 8.240 0.145 0.000 0.658