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 2l2e_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKSQSKLSQD QLQDLVRSTR FDKKELQQWY KGFFKDCPSG HLNKSEFQKI DATA SEQUENCE YKQFFPFGDP SAFAEYVFNV FDADKNGYID FKEFICALSV TSRGELNDKL DATA SEQUENCE IWAFQLYDLD NNGLISYDEM LRIVDAIYKM VGSMVKLPED EDTPEKRVNK DATA SEQUENCE IFNMMDKNKD GQLTLEEFCE GSKRDPTIVS ALSLYDGLV 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2 G C 0.000 174.907 174.900 0.011 0.000 0.946 2 G CA 0.000 45.101 45.100 0.001 0.000 0.502 3 K N -1.742 118.666 120.400 0.012 0.000 2.711 3 K HA 0.242 4.571 4.320 0.016 0.000 0.197 3 K C 0.046 176.656 176.600 0.017 0.000 1.535 3 K CA 0.794 57.090 56.287 0.015 0.000 1.170 3 K CB 0.667 33.174 32.500 0.011 0.000 1.596 3 K HN 0.419 8.676 8.250 0.011 0.000 0.584 4 S N -2.889 112.822 115.700 0.019 0.000 3.113 4 S HA 0.145 4.629 4.470 0.023 0.000 0.265 4 S C -0.527 174.092 174.600 0.032 0.000 1.079 4 S CA -0.091 58.123 58.200 0.023 0.000 0.892 4 S CB 2.293 65.504 63.200 0.018 0.000 0.880 4 S HN -0.206 8.114 8.310 0.016 0.000 0.444 5 Q N 0.712 120.530 119.800 0.030 0.000 2.900 5 Q HA 0.094 4.471 4.340 0.062 0.000 0.297 5 Q C -1.193 174.823 176.000 0.028 0.000 0.889 5 Q CA -0.234 55.595 55.803 0.044 0.000 0.777 5 Q CB 1.326 30.093 28.738 0.047 0.000 1.518 5 Q HN -0.414 7.869 8.270 0.021 0.000 0.430 6 S N 0.235 115.954 115.700 0.032 0.000 2.611 6 S HA -0.068 4.393 4.470 -0.015 0.000 0.252 6 S C -0.712 173.894 174.600 0.010 0.000 1.369 6 S CA 0.615 58.819 58.200 0.006 0.000 0.975 6 S CB 0.389 63.595 63.200 0.009 0.000 0.937 6 S HN 0.196 8.543 8.310 0.061 0.000 0.584 7 K N 1.152 121.554 120.400 0.002 0.000 3.165 7 K HA 0.188 4.514 4.320 0.009 0.000 0.206 7 K C -1.439 175.165 176.600 0.007 0.000 1.123 7 K CA 0.249 56.538 56.287 0.004 0.000 0.978 7 K CB 0.213 32.711 32.500 -0.003 0.000 0.749 7 K HN 0.152 8.398 8.250 -0.006 0.000 0.454 8 L N -0.880 120.352 121.223 0.014 0.000 2.183 8 L HA 0.476 4.825 4.340 0.016 0.000 0.253 8 L C -0.905 175.979 176.870 0.024 0.000 1.048 8 L CA -1.439 53.412 54.840 0.019 0.000 0.890 8 L CB 1.341 43.414 42.059 0.025 0.000 1.476 8 L HN -0.587 7.653 8.230 0.017 0.000 0.455 9 S N 0.546 116.262 115.700 0.026 0.000 2.510 9 S HA -0.002 4.481 4.470 0.022 0.000 0.279 9 S C 1.137 175.755 174.600 0.029 0.000 1.284 9 S CA -0.194 58.021 58.200 0.025 0.000 1.059 9 S CB 0.631 63.846 63.200 0.025 0.000 0.901 9 S HN -0.038 8.289 8.310 0.028 0.000 0.491 10 Q N 7.161 126.978 119.800 0.028 0.000 2.173 10 Q HA -0.432 3.933 4.340 0.041 0.000 0.208 10 Q C 1.489 177.507 176.000 0.031 0.000 0.989 10 Q CA 3.404 59.226 55.803 0.032 0.000 0.872 10 Q CB -0.016 28.737 28.738 0.026 0.000 0.909 10 Q HN 0.749 9.034 8.270 0.025 0.000 0.420 11 D N -0.695 119.721 120.400 0.025 0.000 2.078 11 D HA -0.297 4.356 4.640 0.021 0.000 0.193 11 D C 2.177 178.492 176.300 0.024 0.000 0.990 11 D CA 3.490 57.503 54.000 0.023 0.000 0.827 11 D CB -0.380 40.432 40.800 0.020 0.000 0.975 11 D HN -0.469 7.904 8.370 0.023 0.012 0.451 12 Q N 0.259 120.075 119.800 0.026 0.000 2.248 12 Q HA -0.250 4.101 4.340 0.018 0.000 0.208 12 Q C 2.151 178.165 176.000 0.025 0.000 0.984 12 Q CA 2.607 58.425 55.803 0.025 0.000 0.875 12 Q CB -0.448 28.311 28.738 0.036 0.000 0.910 12 Q HN 0.008 8.295 8.270 0.027 0.000 0.433 13 L N -1.448 119.797 121.223 0.037 0.000 2.012 13 L HA -0.394 3.975 4.340 0.049 0.000 0.210 13 L C 1.539 178.441 176.870 0.054 0.000 1.073 13 L CA 3.506 58.379 54.840 0.054 0.000 0.748 13 L CB -0.203 41.902 42.059 0.078 0.000 0.891 13 L HN -0.158 7.959 8.230 0.037 0.136 0.431 14 Q N -1.245 118.579 119.800 0.041 0.000 2.224 14 Q HA -0.398 3.965 4.340 0.038 0.000 0.203 14 Q C 2.044 178.052 176.000 0.013 0.000 0.970 14 Q CA 3.261 59.081 55.803 0.029 0.000 0.865 14 Q CB -0.508 28.242 28.738 0.019 0.000 0.922 14 Q HN -0.242 8.050 8.270 0.037 0.000 0.445 15 D N 1.174 121.578 120.400 0.007 0.000 2.077 15 D HA -0.279 4.357 4.640 -0.007 0.000 0.196 15 D C 2.004 178.289 176.300 -0.026 0.000 0.986 15 D CA 3.584 57.578 54.000 -0.010 0.000 0.829 15 D CB 0.112 40.904 40.800 -0.013 0.000 0.983 15 D HN -0.566 7.682 8.370 0.013 0.129 0.453 16 L N -0.670 120.533 121.223 -0.034 0.000 2.051 16 L HA -0.334 3.959 4.340 -0.079 0.000 0.214 16 L C 2.034 178.908 176.870 0.007 0.000 1.076 16 L CA 3.278 58.095 54.840 -0.038 0.000 0.758 16 L CB -0.502 41.541 42.059 -0.028 0.000 0.890 16 L HN -0.126 8.089 8.230 -0.025 0.000 0.433 17 V N -1.344 118.579 119.914 0.016 0.000 2.283 17 V HA -0.367 3.772 4.120 0.031 0.000 0.243 17 V C 2.954 179.031 176.094 -0.029 0.000 1.039 17 V CA 3.603 65.916 62.300 0.020 0.000 1.016 17 V CB -0.629 31.228 31.823 0.057 0.000 0.650 17 V HN -0.534 7.659 8.190 0.022 0.010 0.449 18 R N -0.250 120.229 120.500 -0.036 0.000 2.303 18 R HA -0.282 3.999 4.340 -0.097 0.000 0.225 18 R C 2.112 178.354 176.300 -0.097 0.000 1.114 18 R CA 2.741 58.797 56.100 -0.073 0.000 1.007 18 R CB -0.588 29.684 30.300 -0.046 0.000 0.861 18 R HN 0.453 8.593 8.270 -0.016 0.120 0.471 19 S N -3.076 112.568 115.700 -0.093 0.000 2.446 19 S HA -0.033 4.355 4.470 -0.136 0.000 0.225 19 S C 0.375 174.832 174.600 -0.238 0.000 1.016 19 S CA 2.536 60.628 58.200 -0.180 0.000 0.943 19 S CB 0.409 63.500 63.200 -0.182 0.000 0.786 19 S HN -0.063 8.095 8.310 -0.062 0.116 0.508 20 T N 0.107 114.555 114.554 -0.177 0.000 3.122 20 T HA 0.062 4.227 4.350 -0.309 0.000 0.250 20 T C 0.215 174.641 174.700 -0.456 0.000 1.067 20 T CA -1.229 60.717 62.100 -0.256 0.000 0.966 20 T CB -0.149 68.688 68.868 -0.051 0.000 1.002 20 T HN -0.123 7.903 8.240 -0.109 0.149 0.542 21 R N 2.277 122.590 120.500 -0.312 0.000 2.861 21 R HA -0.249 4.035 4.340 -0.093 0.000 0.268 21 R C -0.759 175.358 176.300 -0.306 0.000 1.027 21 R CA 2.070 58.028 56.100 -0.236 0.000 1.163 21 R CB 0.772 30.915 30.300 -0.262 0.000 1.060 21 R HN -0.586 7.366 8.270 -0.216 0.188 0.483 22 F N -2.941 116.790 119.950 -0.366 0.000 2.185 22 F HA -0.117 4.249 4.527 -0.267 0.000 0.318 22 F C -2.208 173.406 175.800 -0.311 0.000 0.778 22 F CA -1.210 56.553 58.000 -0.394 0.000 0.912 22 F CB -1.919 36.625 39.000 -0.761 0.000 4.133 22 F HN -0.213 8.114 8.300 0.045 0.000 0.138 23 D N 1.431 121.496 120.400 -0.559 0.000 2.506 23 D HA 0.252 4.656 4.640 -0.393 0.000 0.272 23 D C -0.384 175.271 176.300 -1.075 0.000 1.214 23 D CA -0.687 52.945 54.000 -0.614 0.000 1.067 23 D CB 1.107 41.694 40.800 -0.354 0.000 1.117 23 D HN -0.066 8.040 8.370 -0.440 0.000 0.578 24 K N -1.436 118.588 120.400 -0.627 0.000 2.638 24 K HA 0.104 3.999 4.320 -0.707 0.000 0.207 24 K C 1.210 177.727 176.600 -0.137 0.000 1.429 24 K CA 0.581 56.541 56.287 -0.546 0.000 0.957 24 K CB 0.979 33.065 32.500 -0.691 0.000 1.733 24 K HN 0.002 8.003 8.250 -0.414 0.000 0.474 25 K N 1.248 121.618 120.400 -0.049 0.000 2.304 25 K HA -0.351 4.154 4.320 0.309 0.000 0.204 25 K C 2.112 178.750 176.600 0.065 0.000 1.044 25 K CA 3.403 59.761 56.287 0.119 0.000 0.932 25 K CB -0.642 31.894 32.500 0.061 0.000 0.735 25 K HN 0.340 8.504 8.250 -0.143 0.000 0.468 26 E N -1.259 118.904 120.200 -0.061 0.000 2.051 26 E HA -0.197 4.182 4.350 0.049 0.000 0.189 26 E C 1.869 178.397 176.600 -0.120 0.000 0.979 26 E CA 2.666 59.032 56.400 -0.057 0.000 0.803 26 E CB -0.345 29.283 29.700 -0.120 0.000 0.761 26 E HN 0.017 8.219 8.360 -0.160 0.062 0.451 27 L N -0.110 120.927 121.223 -0.310 0.000 2.131 27 L HA -0.309 3.655 4.340 -0.626 0.000 0.210 27 L C 1.308 178.283 176.870 0.174 0.000 1.092 27 L CA 2.782 57.457 54.840 -0.274 0.000 0.759 27 L CB -0.148 41.760 42.059 -0.253 0.000 0.903 27 L HN -0.372 7.542 8.230 -0.393 0.081 0.435 28 Q N -0.849 119.096 119.800 0.241 0.000 2.084 28 Q HA -0.506 4.005 4.340 0.286 0.000 0.202 28 Q C 1.976 178.085 176.000 0.181 0.000 0.978 28 Q CA 3.660 59.601 55.803 0.229 0.000 0.844 28 Q CB -0.440 28.382 28.738 0.139 0.000 0.898 28 Q HN 0.457 8.853 8.270 0.234 0.015 0.426 29 Q N -0.094 119.805 119.800 0.166 0.000 2.096 29 Q HA -0.338 4.046 4.340 0.072 0.000 0.204 29 Q C 2.319 178.442 176.000 0.205 0.000 0.982 29 Q CA 2.930 58.820 55.803 0.144 0.000 0.850 29 Q CB -0.172 28.662 28.738 0.160 0.000 0.901 29 Q HN -0.688 7.597 8.270 0.156 0.078 0.422 30 W N 0.416 121.812 121.300 0.159 0.000 2.418 30 W HA -0.338 4.477 4.660 0.259 0.000 0.292 30 W C 1.840 178.541 176.519 0.303 0.000 1.213 30 W CA 3.757 61.260 57.345 0.263 0.000 1.283 30 W CB 0.382 30.070 29.460 0.380 0.000 1.119 30 W HN -0.496 7.852 8.180 0.423 0.085 0.542 31 Y N 0.091 120.679 120.300 0.481 0.000 2.274 31 Y HA -0.529 4.371 4.550 0.584 0.000 0.290 31 Y C 1.300 177.263 175.900 0.106 0.000 1.145 31 Y CA 2.824 61.135 58.100 0.352 0.000 1.203 31 Y CB -0.221 38.367 38.460 0.213 0.000 0.984 31 Y HN 0.684 9.169 8.280 0.649 0.184 0.533 32 K N -0.596 119.576 120.400 -0.381 0.000 2.137 32 K HA -0.274 3.540 4.320 -0.844 0.000 0.202 32 K C 1.953 178.410 176.600 -0.239 0.000 1.052 32 K CA 2.626 58.611 56.287 -0.503 0.000 0.961 32 K CB -0.077 32.221 32.500 -0.337 0.000 0.741 32 K HN -0.187 7.985 8.250 -0.096 0.020 0.452 33 G N -1.640 107.048 108.800 -0.187 0.000 2.448 33 G HA2 -0.194 3.667 3.960 -0.165 0.000 0.218 33 G HA3 -0.194 3.635 3.960 -0.218 0.000 0.218 33 G C 1.054 175.796 174.900 -0.262 0.000 1.135 33 G CA 1.733 46.709 45.100 -0.207 0.000 0.784 33 G HN -0.493 7.628 8.290 -0.148 0.080 0.543 34 F N 2.917 122.585 119.950 -0.470 0.000 2.219 34 F HA -0.095 4.164 4.527 -0.447 0.000 0.294 34 F C 0.789 176.548 175.800 -0.069 0.000 1.086 34 F CA 2.825 60.573 58.000 -0.420 0.000 1.330 34 F CB 0.928 39.479 39.000 -0.747 0.000 1.047 34 F HN 0.038 8.177 8.300 -0.235 0.020 0.495 35 F N -2.029 117.939 119.950 0.030 0.000 2.502 35 F HA -0.160 4.449 4.527 0.136 0.000 0.298 35 F C 1.543 177.262 175.800 -0.134 0.000 1.111 35 F CA 1.995 60.005 58.000 0.016 0.000 1.445 35 F CB -0.197 38.794 39.000 -0.015 0.000 1.081 35 F HN -0.488 8.106 8.300 0.490 0.000 0.558 36 K N -1.213 119.164 120.400 -0.039 0.000 2.098 36 K HA -0.204 4.074 4.320 -0.070 0.000 0.203 36 K C 1.422 177.933 176.600 -0.149 0.000 1.051 36 K CA 2.672 58.900 56.287 -0.098 0.000 0.957 36 K CB -0.111 32.321 32.500 -0.114 0.000 0.738 36 K HN -0.503 7.579 8.250 -0.048 0.139 0.447 37 D N -1.676 118.592 120.400 -0.220 0.000 2.234 37 D HA -0.096 4.436 4.640 -0.180 0.000 0.205 37 D C 0.491 176.616 176.300 -0.293 0.000 0.962 37 D CA 2.377 56.228 54.000 -0.247 0.000 0.855 37 D CB 1.488 42.111 40.800 -0.295 0.000 0.951 37 D HN -0.526 7.698 8.370 -0.243 0.000 0.500 38 C N -0.767 118.301 119.300 -0.388 0.000 3.418 38 C HA 0.344 4.645 4.460 -0.264 0.000 0.238 38 C C -2.390 172.401 174.990 -0.331 0.000 1.205 38 C CA -2.672 56.120 59.018 -0.377 0.000 1.376 38 C CB 2.187 29.586 27.740 -0.569 0.000 1.826 38 C HN -0.464 7.494 8.230 -0.413 0.025 0.513 39 P HA 0.137 4.480 4.420 -0.258 -0.078 0.268 39 P C -1.202 175.984 177.300 -0.190 0.000 1.282 39 P CA 0.595 63.577 63.100 -0.197 0.000 0.880 39 P CB -0.066 31.577 31.700 -0.095 0.000 0.971 40 S N 4.665 120.196 115.700 -0.282 0.000 3.186 40 S HA 0.066 4.481 4.470 -0.091 0.000 0.253 40 S C 0.949 175.464 174.600 -0.141 0.000 1.071 40 S CA -0.844 57.262 58.200 -0.155 0.000 0.796 40 S CB 1.397 64.536 63.200 -0.102 0.000 0.818 40 S HN 0.177 8.180 8.310 -0.512 0.000 0.498 41 G N 2.094 110.754 108.800 -0.233 0.000 2.659 41 G HA2 -0.297 3.786 3.960 0.205 0.000 0.212 41 G HA3 -0.297 3.565 3.960 -0.163 0.000 0.212 41 G C -1.073 173.784 174.900 -0.072 0.000 1.226 41 G CA 0.163 45.218 45.100 -0.075 0.000 0.739 41 G HN 0.437 8.420 8.290 -0.513 0.000 0.528 42 H N 1.835 120.948 119.070 0.073 0.000 2.508 42 H HA 0.388 5.173 4.556 0.165 -0.130 0.358 42 H C -0.817 174.598 175.328 0.144 0.000 1.212 42 H CA 0.346 56.458 56.048 0.108 0.000 1.356 42 H CB 1.543 31.298 29.762 -0.012 0.000 1.525 42 H HN -0.350 7.835 8.280 -0.027 0.079 0.578 43 L N 0.230 121.647 121.223 0.324 0.000 2.424 43 L HA 0.393 4.873 4.340 0.233 0.000 0.258 43 L C -2.528 174.503 176.870 0.268 0.000 0.995 43 L CA -1.276 53.722 54.840 0.263 0.000 0.821 43 L CB 4.550 46.767 42.059 0.262 0.000 1.383 43 L HN 0.648 9.101 8.230 0.371 0.000 0.410 44 N N 1.290 120.139 118.700 0.248 0.000 2.482 44 N HA 0.212 5.142 4.740 0.317 0.000 0.279 44 N C 0.321 176.011 175.510 0.301 0.000 1.182 44 N CA -0.431 52.781 53.050 0.270 0.000 0.969 44 N CB 1.579 40.187 38.487 0.201 0.000 1.201 44 N HN 0.178 8.691 8.380 0.221 0.000 0.523 45 K N 3.195 123.786 120.400 0.319 0.000 1.984 45 K HA -0.367 4.151 4.320 0.330 0.000 0.209 45 K C 1.247 177.947 176.600 0.167 0.000 1.046 45 K CA 4.052 60.467 56.287 0.213 0.000 0.934 45 K CB -0.081 32.297 32.500 -0.204 0.000 0.717 45 K HN 0.667 9.122 8.250 0.341 0.000 0.438 46 S N -1.095 114.660 115.700 0.092 0.000 2.365 46 S HA -0.358 4.141 4.470 0.050 0.000 0.225 46 S C 1.904 176.564 174.600 0.100 0.000 1.039 46 S CA 3.925 62.169 58.200 0.073 0.000 1.033 46 S CB -0.603 62.627 63.200 0.051 0.000 0.887 46 S HN 0.195 8.547 8.310 0.071 0.000 0.447 47 E N 0.968 121.244 120.200 0.126 0.000 2.038 47 E HA -0.264 4.136 4.350 0.082 0.000 0.195 47 E C 1.990 178.638 176.600 0.081 0.000 1.000 47 E CA 2.644 59.109 56.400 0.109 0.000 0.803 47 E CB -0.284 29.499 29.700 0.140 0.000 0.750 47 E HN -0.143 8.303 8.360 0.140 -0.002 0.448 48 F N 0.484 120.433 119.950 -0.002 0.000 2.091 48 F HA -0.484 3.960 4.527 -0.137 0.000 0.299 48 F C 1.735 177.522 175.800 -0.021 0.000 1.103 48 F CA 3.329 61.299 58.000 -0.050 0.000 1.228 48 F CB 0.152 39.149 39.000 -0.005 0.000 0.984 48 F HN -0.160 8.321 8.300 0.302 0.000 0.477 49 Q N -2.381 117.521 119.800 0.170 0.000 2.112 49 Q HA -0.529 3.863 4.340 0.087 0.000 0.206 49 Q C 2.222 178.164 176.000 -0.096 0.000 0.987 49 Q CA 3.205 59.038 55.803 0.050 0.000 0.858 49 Q CB -0.391 28.397 28.738 0.084 0.000 0.905 49 Q HN 0.482 8.934 8.270 0.306 0.002 0.420 50 K N -1.689 118.660 120.400 -0.085 0.000 2.097 50 K HA -0.274 4.002 4.320 -0.073 0.000 0.206 50 K C 1.334 177.818 176.600 -0.194 0.000 1.049 50 K CA 2.931 59.159 56.287 -0.099 0.000 0.933 50 K CB -0.345 32.128 32.500 -0.045 0.000 0.717 50 K HN -0.500 7.628 8.250 -0.033 0.103 0.442 51 I N -2.820 117.559 120.570 -0.318 0.000 2.142 51 I HA -0.361 3.559 4.170 -0.415 0.000 0.240 51 I C 2.218 178.125 176.117 -0.350 0.000 1.078 51 I CA 1.875 62.913 61.300 -0.435 0.000 1.343 51 I CB -0.672 36.942 38.000 -0.643 0.000 1.046 51 I HN -0.589 7.314 8.210 -0.326 0.112 0.405 52 Y N 0.889 120.841 120.300 -0.579 0.000 2.403 52 Y HA -0.456 3.862 4.550 -0.387 0.000 0.291 52 Y C 1.336 177.017 175.900 -0.365 0.000 1.143 52 Y CA 3.533 61.334 58.100 -0.498 0.000 1.257 52 Y CB -0.150 37.979 38.460 -0.552 0.000 0.984 52 Y HN -0.264 7.652 8.280 -0.607 0.000 0.550 53 K N -2.723 117.609 120.400 -0.113 0.000 2.444 53 K HA -0.133 4.157 4.320 -0.050 0.000 0.193 53 K C 0.766 177.278 176.600 -0.147 0.000 1.024 53 K CA 1.629 57.861 56.287 -0.092 0.000 1.077 53 K CB -0.401 32.059 32.500 -0.066 0.000 0.833 53 K HN -0.356 7.648 8.250 -0.143 0.160 0.517 54 Q N -2.640 117.034 119.800 -0.211 0.000 2.423 54 Q HA -0.069 4.127 4.340 -0.240 0.000 0.231 54 Q C 1.212 176.992 176.000 -0.367 0.000 0.894 54 Q CA 2.165 57.786 55.803 -0.303 0.000 0.938 54 Q CB 1.676 30.159 28.738 -0.426 0.000 1.079 54 Q HN -0.128 7.801 8.270 -0.224 0.207 0.552 55 F N -1.397 118.492 119.950 -0.101 0.000 2.437 55 F HA -0.085 4.454 4.527 0.021 0.000 0.288 55 F C -0.488 175.483 175.800 0.286 0.000 1.085 55 F CA 2.057 60.106 58.000 0.082 0.000 1.430 55 F CB 2.485 41.574 39.000 0.149 0.000 1.120 55 F HN -0.569 7.711 8.300 -0.034 0.000 0.556 56 F N -6.165 113.738 119.950 -0.078 0.000 3.098 56 F HA 0.344 4.946 4.527 0.126 0.000 0.403 56 F C -2.964 172.772 175.800 -0.108 0.000 1.195 56 F CA -3.402 54.589 58.000 -0.015 0.000 1.220 56 F CB -0.344 38.680 39.000 0.040 0.000 2.443 56 F HN -0.808 7.485 8.300 -0.012 0.000 0.632 57 P HA 0.289 4.762 4.420 0.088 0.000 0.230 57 P C -1.621 175.703 177.300 0.041 0.000 1.791 57 P CA -0.529 62.557 63.100 -0.023 0.000 1.020 57 P CB -1.735 29.938 31.700 -0.045 0.000 1.977 58 F N 1.246 121.204 119.950 0.014 0.000 2.049 58 F HA -0.078 4.468 4.527 0.033 0.000 0.288 58 F C 1.575 177.391 175.800 0.027 0.000 1.141 58 F CA 2.344 60.367 58.000 0.040 0.000 1.165 58 F CB 0.415 39.457 39.000 0.071 0.000 1.012 58 F HN -0.124 8.351 8.300 0.379 0.052 0.475 59 G N -1.062 107.886 108.800 0.246 0.000 2.873 59 G HA2 -0.001 4.013 3.960 0.091 0.000 0.170 59 G HA3 -0.001 4.006 3.960 0.079 0.000 0.170 59 G C -1.251 173.668 174.900 0.032 0.000 1.608 59 G CA -0.762 44.398 45.100 0.101 0.000 1.084 59 G HN -0.072 8.408 8.290 0.317 0.000 0.563 60 D N 1.159 121.553 120.400 -0.010 0.000 2.359 60 D HA 0.297 4.923 4.640 -0.025 0.000 0.230 60 D C -0.650 175.585 176.300 -0.109 0.000 1.118 60 D CA -1.350 52.628 54.000 -0.036 0.000 0.844 60 D CB 0.882 41.673 40.800 -0.016 0.000 1.059 60 D HN 0.052 8.419 8.370 -0.005 0.000 0.493 61 P HA -0.147 3.889 4.420 -0.640 0.000 0.222 61 P C 0.940 178.186 177.300 -0.089 0.000 1.147 61 P CA 1.638 64.583 63.100 -0.258 0.000 0.790 61 P CB 0.288 31.922 31.700 -0.110 0.000 0.780 62 S N -2.268 113.406 115.700 -0.044 0.000 2.406 62 S HA -0.148 4.316 4.470 -0.010 0.000 0.228 62 S C 1.549 176.147 174.600 -0.004 0.000 1.020 62 S CA 2.307 60.496 58.200 -0.018 0.000 0.965 62 S CB -0.629 62.557 63.200 -0.023 0.000 0.798 62 S HN 0.219 8.464 8.310 -0.047 0.038 0.488 63 A N 3.660 126.483 122.820 0.006 0.000 1.841 63 A HA -0.196 4.146 4.320 0.037 0.000 0.214 63 A C 1.669 179.310 177.584 0.094 0.000 1.195 63 A CA 2.373 54.436 52.037 0.042 0.000 0.611 63 A CB -0.696 18.326 19.000 0.037 0.000 0.835 63 A HN -0.670 7.351 8.150 -0.014 0.120 0.443 64 F N -0.572 119.318 119.950 -0.100 0.000 2.154 64 F HA -0.493 4.013 4.527 -0.036 0.000 0.301 64 F C 1.241 177.075 175.800 0.057 0.000 1.087 64 F CA 2.794 60.756 58.000 -0.064 0.000 1.274 64 F CB -0.091 38.754 39.000 -0.259 0.000 1.009 64 F HN -0.708 7.652 8.300 0.100 0.000 0.485 65 A N -1.725 121.121 122.820 0.044 0.000 1.865 65 A HA -0.429 3.803 4.320 -0.147 0.000 0.217 65 A C 1.935 179.490 177.584 -0.049 0.000 1.191 65 A CA 3.328 55.340 52.037 -0.042 0.000 0.623 65 A CB -1.044 17.960 19.000 0.007 0.000 0.826 65 A HN -0.394 7.807 8.150 0.099 0.008 0.444 66 E N -2.738 117.446 120.200 -0.027 0.000 2.273 66 E HA -0.379 3.931 4.350 -0.067 0.000 0.198 66 E C 2.268 178.897 176.600 0.048 0.000 1.002 66 E CA 2.672 59.066 56.400 -0.010 0.000 0.828 66 E CB -0.221 29.483 29.700 0.008 0.000 0.747 66 E HN -0.393 7.894 8.360 -0.013 0.066 0.491 67 Y N 0.348 120.578 120.300 -0.118 0.000 2.138 67 Y HA -0.347 4.159 4.550 -0.074 0.000 0.286 67 Y C 1.564 177.399 175.900 -0.108 0.000 1.115 67 Y CA 3.664 61.679 58.100 -0.141 0.000 1.105 67 Y CB 0.342 38.635 38.460 -0.278 0.000 1.004 67 Y HN -0.533 7.605 8.280 0.078 0.189 0.494 68 V N -1.121 118.770 119.914 -0.039 0.000 2.313 68 V HA -0.593 3.640 4.120 0.188 0.000 0.253 68 V C 2.332 178.488 176.094 0.103 0.000 1.070 68 V CA 3.701 66.029 62.300 0.048 0.000 1.057 68 V CB -1.235 30.501 31.823 -0.145 0.000 0.653 68 V HN -0.285 7.779 8.190 -0.209 0.000 0.450 69 F N -0.837 119.053 119.950 -0.099 0.000 2.186 69 F HA -0.348 4.163 4.527 -0.027 0.000 0.299 69 F C 2.362 178.096 175.800 -0.109 0.000 1.090 69 F CA 4.512 62.467 58.000 -0.075 0.000 1.307 69 F CB -0.863 38.085 39.000 -0.087 0.000 1.019 69 F HN -0.114 8.377 8.300 0.328 0.006 0.489 70 N N -4.509 114.193 118.700 0.004 0.000 2.430 70 N HA -0.241 4.451 4.740 -0.080 0.000 0.186 70 N C 0.295 175.672 175.510 -0.221 0.000 1.032 70 N CA 2.493 55.459 53.050 -0.141 0.000 0.893 70 N CB -0.245 38.075 38.487 -0.277 0.000 0.957 70 N HN -0.440 7.858 8.380 0.023 0.096 0.442 71 V N -3.629 116.150 119.914 -0.226 0.000 2.911 71 V HA -0.126 3.798 4.120 -0.327 0.000 0.237 71 V C 0.137 175.999 176.094 -0.387 0.000 1.156 71 V CA 1.735 63.840 62.300 -0.326 0.000 1.180 71 V CB 1.116 32.725 31.823 -0.356 0.000 0.932 71 V HN -0.681 7.241 8.190 -0.146 0.181 0.483 72 F N -3.186 116.655 119.950 -0.181 0.000 2.765 72 F HA -0.124 4.320 4.527 -0.137 0.000 0.302 72 F C -0.936 174.676 175.800 -0.313 0.000 1.111 72 F CA 2.088 59.970 58.000 -0.197 0.000 1.359 72 F CB 0.709 39.608 39.000 -0.168 0.000 1.097 72 F HN 0.428 8.646 8.300 0.065 0.121 0.577 73 D N -1.849 118.428 120.400 -0.205 0.000 2.381 73 D HA 0.110 4.578 4.640 -0.286 0.000 0.245 73 D C -1.178 175.047 176.300 -0.124 0.000 1.297 73 D CA -0.891 52.940 54.000 -0.282 0.000 0.931 73 D CB 0.568 40.977 40.800 -0.651 0.000 1.334 73 D HN -0.397 7.731 8.370 -0.158 0.148 0.535 74 A N 1.891 124.638 122.820 -0.122 0.000 1.956 74 A HA -0.041 4.242 4.320 -0.063 0.000 0.212 74 A C -0.033 177.515 177.584 -0.060 0.000 1.188 74 A CA 1.486 53.474 52.037 -0.082 0.000 0.675 74 A CB 0.663 19.606 19.000 -0.094 0.000 0.845 74 A HN 0.078 8.141 8.150 -0.144 0.000 0.455 75 D N -4.438 115.914 120.400 -0.080 0.000 4.082 75 D HA -0.012 4.602 4.640 -0.044 0.000 0.255 75 D C -1.380 174.866 176.300 -0.089 0.000 1.427 75 D CA 0.872 54.835 54.000 -0.062 0.000 0.804 75 D CB 0.304 41.078 40.800 -0.044 0.000 1.364 75 D HN -0.472 7.832 8.370 -0.110 0.000 0.809 76 K N 0.786 121.092 120.400 -0.157 0.000 3.163 76 K HA 0.391 4.631 4.320 -0.134 0.000 0.186 76 K C -0.913 175.499 176.600 -0.313 0.000 1.111 76 K CA -1.506 54.639 56.287 -0.238 0.000 0.918 76 K CB -0.161 32.125 32.500 -0.358 0.000 1.059 76 K HN -0.538 7.813 8.250 -0.170 -0.204 0.558 77 N N -2.194 116.435 118.700 -0.118 0.000 3.967 77 N HA -0.362 4.389 4.740 0.018 0.000 0.227 77 N C -0.236 175.273 175.510 -0.003 0.000 0.226 77 N CA 2.103 55.138 53.050 -0.024 0.000 3.007 77 N CB -1.115 37.421 38.487 0.082 0.000 1.344 77 N HN 0.124 8.460 8.380 -0.074 0.000 0.315 78 G N 0.110 108.872 108.800 -0.063 0.000 4.152 78 G HA2 0.111 4.452 3.960 0.193 0.000 0.232 78 G HA3 0.111 4.215 3.960 0.240 0.000 0.232 78 G C -2.770 172.232 174.900 0.169 0.000 3.663 78 G CA -0.019 45.164 45.100 0.138 0.000 0.661 78 G HN 0.081 8.193 8.290 -0.260 0.022 0.251 79 Y N -2.581 117.705 120.300 -0.023 0.000 2.552 79 Y HA 0.829 5.533 4.550 0.059 -0.119 0.337 79 Y C -3.047 172.802 175.900 -0.085 0.000 1.094 79 Y CA -2.383 55.704 58.100 -0.021 0.000 1.028 79 Y CB 2.191 40.631 38.460 -0.032 0.000 1.321 79 Y HN -0.970 6.895 8.280 -0.692 0.000 0.456 80 I N -6.101 114.597 120.570 0.213 0.000 3.074 80 I HA 0.403 4.698 4.170 0.208 0.000 0.310 80 I C -1.971 174.304 176.117 0.263 0.000 1.153 80 I CA -1.987 59.400 61.300 0.145 0.000 0.993 80 I CB 3.688 41.594 38.000 -0.155 0.000 1.237 80 I HN 0.018 8.379 8.210 0.252 0.000 0.443 81 D N 1.933 122.444 120.400 0.185 0.000 2.313 81 D HA 0.364 5.293 4.640 0.187 -0.176 0.239 81 D C 0.276 176.648 176.300 0.119 0.000 1.142 81 D CA 0.657 54.743 54.000 0.144 0.000 0.847 81 D CB 0.947 41.790 40.800 0.072 0.000 1.082 81 D HN 0.126 8.576 8.370 0.134 0.000 0.480 82 F N 6.889 126.907 119.950 0.113 0.000 2.604 82 F HA -0.265 4.277 4.527 0.026 0.000 0.298 82 F C -0.160 175.650 175.800 0.017 0.000 1.131 82 F CA 1.226 59.288 58.000 0.103 0.000 1.457 82 F CB 0.609 39.761 39.000 0.254 0.000 1.095 82 F HN -0.155 8.420 8.300 0.458 0.000 0.574 83 K N 0.410 120.709 120.400 -0.168 0.000 2.007 83 K HA -0.367 3.443 4.320 -0.851 0.000 0.206 83 K C 1.545 177.928 176.600 -0.362 0.000 1.047 83 K CA 3.948 59.959 56.287 -0.459 0.000 0.937 83 K CB -0.539 31.794 32.500 -0.278 0.000 0.718 83 K HN -0.140 8.102 8.250 0.087 0.060 0.438 84 E N -1.932 118.172 120.200 -0.160 0.000 2.265 84 E HA -0.313 4.051 4.350 0.024 0.000 0.196 84 E C 2.034 178.589 176.600 -0.075 0.000 0.996 84 E CA 2.604 58.983 56.400 -0.035 0.000 0.832 84 E CB -0.661 29.088 29.700 0.082 0.000 0.756 84 E HN 0.066 8.363 8.360 -0.105 0.000 0.491 85 F N 1.036 120.785 119.950 -0.336 0.000 2.084 85 F HA -0.342 4.055 4.527 -0.216 0.000 0.296 85 F C 1.029 176.733 175.800 -0.159 0.000 1.111 85 F CA 3.820 61.662 58.000 -0.263 0.000 1.224 85 F CB 0.197 39.078 39.000 -0.197 0.000 0.991 85 F HN -0.916 7.156 8.300 -0.129 0.150 0.471 86 I N -0.970 119.517 120.570 -0.138 0.000 2.208 86 I HA -0.688 3.579 4.170 0.162 0.000 0.245 86 I C 1.487 177.645 176.117 0.069 0.000 1.097 86 I CA 4.307 65.565 61.300 -0.071 0.000 1.363 86 I CB -0.334 37.392 38.000 -0.457 0.000 1.051 86 I HN -0.652 7.307 8.210 -0.418 0.000 0.413 87 C N -1.183 118.113 119.300 -0.007 0.000 2.413 87 C HA -0.405 4.193 4.460 0.230 0.000 0.276 87 C C 2.677 177.726 174.990 0.098 0.000 1.236 87 C CA 4.594 63.685 59.018 0.121 0.000 1.735 87 C CB -0.392 27.426 27.740 0.131 0.000 2.031 87 C HN -0.528 7.624 8.230 -0.128 0.002 0.474 88 A N -0.244 122.582 122.820 0.009 0.000 2.015 88 A HA -0.217 4.123 4.320 0.033 0.000 0.219 88 A C 1.704 179.239 177.584 -0.081 0.000 1.163 88 A CA 2.697 54.721 52.037 -0.021 0.000 0.646 88 A CB -0.812 18.172 19.000 -0.027 0.000 0.806 88 A HN -0.348 7.789 8.150 -0.022 0.000 0.448 89 L N -1.087 120.052 121.223 -0.141 0.000 2.081 89 L HA -0.308 3.947 4.340 -0.141 0.000 0.212 89 L C 1.898 178.738 176.870 -0.049 0.000 1.080 89 L CA 2.847 57.631 54.840 -0.094 0.000 0.754 89 L CB -0.285 41.797 42.059 0.038 0.000 0.893 89 L HN 0.226 8.222 8.230 -0.164 0.136 0.433 90 S N -1.372 114.315 115.700 -0.022 0.000 2.400 90 S HA -0.402 3.928 4.470 -0.234 0.000 0.234 90 S C 2.205 176.782 174.600 -0.039 0.000 1.049 90 S CA 2.882 61.039 58.200 -0.072 0.000 1.039 90 S CB -0.432 62.805 63.200 0.061 0.000 0.856 90 S HN -0.472 7.762 8.310 0.061 0.112 0.465 91 V N -0.488 119.419 119.914 -0.011 0.000 2.343 91 V HA -0.227 3.902 4.120 0.015 0.000 0.247 91 V C 0.718 176.818 176.094 0.011 0.000 1.051 91 V CA 2.723 65.021 62.300 -0.003 0.000 1.036 91 V CB -0.166 31.642 31.823 -0.026 0.000 0.654 91 V HN -0.153 7.901 8.190 -0.007 0.132 0.451 92 T N -1.440 113.113 114.554 -0.001 0.000 3.145 92 T HA 0.062 4.453 4.350 0.068 0.000 0.362 92 T C -1.312 173.393 174.700 0.008 0.000 1.340 92 T CA -0.761 61.355 62.100 0.027 0.000 1.069 92 T CB -0.598 68.288 68.868 0.030 0.000 1.129 92 T HN -0.105 8.022 8.240 -0.020 0.101 0.585 93 S N 2.851 118.544 115.700 -0.011 0.000 2.873 93 S HA 0.107 4.572 4.470 -0.009 0.000 0.303 93 S C -1.155 173.407 174.600 -0.064 0.000 1.222 93 S CA -0.848 57.319 58.200 -0.056 0.000 0.923 93 S CB 1.533 64.629 63.200 -0.174 0.000 1.286 93 S HN -0.229 8.087 8.310 0.009 0.000 0.571 94 R N 1.977 122.410 120.500 -0.110 0.000 2.569 94 R HA 0.348 4.646 4.340 -0.070 0.000 0.293 94 R C -1.883 174.348 176.300 -0.114 0.000 1.186 94 R CA -0.442 55.602 56.100 -0.093 0.000 0.956 94 R CB 0.580 30.833 30.300 -0.078 0.000 1.196 94 R HN 0.350 8.522 8.270 -0.165 0.000 0.444 95 G N 2.597 111.342 108.800 -0.093 0.000 2.428 95 G HA2 0.006 3.922 3.960 -0.073 0.000 0.305 95 G HA3 0.006 3.902 3.960 -0.107 0.000 0.305 95 G C -1.553 173.314 174.900 -0.055 0.000 1.260 95 G CA 0.471 45.521 45.100 -0.084 0.000 0.853 95 G HN 0.001 8.246 8.290 -0.076 0.000 0.480 96 E N -0.959 119.216 120.200 -0.041 0.000 2.849 96 E HA 0.142 4.476 4.350 -0.027 0.000 0.257 96 E C 0.610 177.199 176.600 -0.019 0.000 1.306 96 E CA -0.824 55.561 56.400 -0.025 0.000 1.058 96 E CB 0.808 30.498 29.700 -0.016 0.000 1.249 96 E HN 0.077 8.413 8.360 -0.040 0.000 0.638 97 L N 0.367 121.583 121.223 -0.012 0.000 2.202 97 L HA -0.033 4.305 4.340 -0.005 0.000 0.205 97 L C 0.792 177.660 176.870 -0.002 0.000 1.083 97 L CA 2.010 56.845 54.840 -0.007 0.000 0.790 97 L CB 0.146 42.198 42.059 -0.011 0.000 0.942 97 L HN 0.170 8.392 8.230 -0.013 0.000 0.452 98 N N -1.816 116.882 118.700 -0.003 0.000 2.166 98 N HA -0.272 4.458 4.740 -0.016 0.000 0.186 98 N C 1.373 176.904 175.510 0.035 0.000 1.019 98 N CA 2.625 55.675 53.050 0.001 0.000 0.856 98 N CB -0.995 37.490 38.487 -0.002 0.000 0.993 98 N HN 0.005 8.380 8.380 -0.007 0.000 0.426 99 D N -1.326 119.100 120.400 0.043 0.000 2.178 99 D HA -0.231 4.479 4.640 0.118 0.000 0.201 99 D C 1.841 178.229 176.300 0.146 0.000 0.980 99 D CA 2.739 56.793 54.000 0.091 0.000 0.842 99 D CB -0.241 40.586 40.800 0.046 0.000 0.948 99 D HN 0.433 8.802 8.370 0.021 0.013 0.472 100 K N 0.294 120.748 120.400 0.091 0.000 1.985 100 K HA -0.267 4.136 4.320 0.138 0.000 0.210 100 K C 2.031 178.759 176.600 0.214 0.000 1.047 100 K CA 3.216 59.581 56.287 0.131 0.000 0.932 100 K CB -0.280 32.258 32.500 0.063 0.000 0.716 100 K HN -0.849 7.299 8.250 0.046 0.129 0.439 101 L N -2.084 119.213 121.223 0.123 0.000 2.043 101 L HA -0.402 4.035 4.340 0.161 0.000 0.212 101 L C 2.670 179.687 176.870 0.245 0.000 1.075 101 L CA 3.098 58.006 54.840 0.113 0.000 0.752 101 L CB -0.245 41.758 42.059 -0.094 0.000 0.891 101 L HN -0.798 7.469 8.230 0.063 0.000 0.432 102 I N -1.642 119.056 120.570 0.213 0.000 2.202 102 I HA -0.561 3.774 4.170 0.275 0.000 0.242 102 I C 1.714 178.046 176.117 0.357 0.000 1.091 102 I CA 4.673 66.134 61.300 0.269 0.000 1.368 102 I CB 0.106 38.224 38.000 0.197 0.000 1.058 102 I HN -0.440 7.859 8.210 0.153 0.004 0.410 103 W N 1.001 122.389 121.300 0.146 0.000 2.321 103 W HA -0.526 4.201 4.660 0.111 0.000 0.306 103 W C 1.356 177.968 176.519 0.155 0.000 1.217 103 W CA 3.394 60.811 57.345 0.121 0.000 1.257 103 W CB 0.197 29.698 29.460 0.069 0.000 1.145 103 W HN 0.561 8.815 8.180 0.434 0.187 0.509 104 A N -1.960 121.086 122.820 0.376 0.000 1.933 104 A HA -0.388 4.057 4.320 0.208 0.000 0.218 104 A C 1.632 179.373 177.584 0.262 0.000 1.175 104 A CA 2.896 55.111 52.037 0.297 0.000 0.628 104 A CB -0.969 18.273 19.000 0.403 0.000 0.814 104 A HN 0.315 8.742 8.150 0.465 0.003 0.444 105 F N -0.072 119.989 119.950 0.186 0.000 2.084 105 F HA -0.450 4.164 4.527 0.144 0.000 0.296 105 F C 1.749 177.583 175.800 0.056 0.000 1.111 105 F CA 3.362 61.451 58.000 0.148 0.000 1.224 105 F CB 0.213 39.324 39.000 0.186 0.000 0.991 105 F HN -0.482 8.000 8.300 0.494 0.114 0.471 106 Q N -3.215 116.582 119.800 -0.005 0.000 2.439 106 Q HA -0.393 3.789 4.340 -0.262 0.000 0.211 106 Q C 1.441 177.281 176.000 -0.266 0.000 0.978 106 Q CA 2.125 57.816 55.803 -0.188 0.000 0.897 106 Q CB -0.286 28.379 28.738 -0.123 0.000 0.956 106 Q HN 0.034 8.427 8.270 0.205 0.000 0.483 107 L N -2.738 118.329 121.223 -0.261 0.000 2.023 107 L HA -0.205 3.982 4.340 -0.255 0.000 0.205 107 L C 1.190 177.924 176.870 -0.226 0.000 1.073 107 L CA 2.236 56.916 54.840 -0.268 0.000 0.745 107 L CB 0.480 42.383 42.059 -0.260 0.000 0.900 107 L HN -0.654 7.349 8.230 -0.184 0.117 0.435 108 Y N -6.249 113.919 120.300 -0.220 0.000 2.462 108 Y HA -0.061 4.415 4.550 -0.122 0.000 0.293 108 Y C 0.880 176.622 175.900 -0.263 0.000 1.195 108 Y CA 0.769 58.755 58.100 -0.191 0.000 1.276 108 Y CB 0.383 38.741 38.460 -0.170 0.000 1.082 108 Y HN -0.796 7.518 8.280 0.057 0.000 0.514 109 D N 0.980 121.219 120.400 -0.268 0.000 2.881 109 D HA 0.062 4.522 4.640 -0.299 0.000 0.240 109 D C -0.438 175.744 176.300 -0.197 0.000 1.249 109 D CA -0.961 52.843 54.000 -0.326 0.000 0.839 109 D CB -0.942 39.548 40.800 -0.517 0.000 1.042 109 D HN -0.358 7.633 8.370 -0.282 0.210 0.475 110 L N -0.707 120.430 121.223 -0.142 0.000 2.653 110 L HA 0.031 4.282 4.340 -0.148 0.000 0.232 110 L C -0.117 176.715 176.870 -0.064 0.000 1.169 110 L CA -0.092 54.681 54.840 -0.111 0.000 0.951 110 L CB -0.149 41.868 42.059 -0.070 0.000 1.181 110 L HN -0.810 7.246 8.230 -0.126 0.098 0.460 111 D N -3.010 117.353 120.400 -0.062 0.000 2.479 111 D HA 0.151 4.777 4.640 -0.024 0.000 0.218 111 D C -0.738 175.543 176.300 -0.033 0.000 1.177 111 D CA -0.671 53.310 54.000 -0.033 0.000 0.830 111 D CB 0.647 41.438 40.800 -0.014 0.000 1.014 111 D HN -0.397 7.806 8.370 -0.087 0.116 0.503 112 N N -2.284 116.386 118.700 -0.049 0.000 2.701 112 N HA -0.401 4.316 4.740 -0.039 0.000 0.250 112 N C -0.549 174.955 175.510 -0.011 0.000 1.046 112 N CA 1.589 54.619 53.050 -0.033 0.000 0.733 112 N CB -0.617 37.854 38.487 -0.027 0.000 0.973 112 N HN -0.338 7.936 8.380 -0.071 0.063 0.541 113 N N -1.406 117.288 118.700 -0.009 0.000 2.510 113 N HA 0.119 4.872 4.740 0.021 0.000 0.186 113 N C 0.832 176.373 175.510 0.051 0.000 1.051 113 N CA 0.699 53.760 53.050 0.019 0.000 0.877 113 N CB 0.884 39.383 38.487 0.019 0.000 1.183 113 N HN -0.433 7.907 8.380 -0.032 0.021 0.443 114 G N 0.095 108.926 108.800 0.051 0.000 2.162 114 G HA2 -0.447 3.804 3.960 0.205 0.000 0.260 114 G HA3 -0.447 3.624 3.960 0.185 0.000 0.260 114 G C -2.024 173.047 174.900 0.285 0.000 0.976 114 G CA 0.816 46.028 45.100 0.186 0.000 0.655 114 G HN -0.365 8.081 8.290 -0.014 -0.164 0.533 115 L N -2.342 118.979 121.223 0.164 0.000 2.482 115 L HA 0.462 5.108 4.340 0.252 -0.154 0.269 115 L C -0.619 176.322 176.870 0.119 0.000 0.967 115 L CA -1.551 53.392 54.840 0.172 0.000 0.851 115 L CB 2.450 44.576 42.059 0.112 0.000 1.242 115 L HN -0.668 7.548 8.230 0.086 0.065 0.404 116 I N -1.721 118.935 120.570 0.144 0.000 2.797 116 I HA 0.392 4.586 4.170 0.041 0.000 0.310 116 I C -1.176 174.985 176.117 0.073 0.000 0.990 116 I CA -1.441 59.896 61.300 0.063 0.000 1.228 116 I CB 2.292 40.294 38.000 0.005 0.000 1.406 116 I HN -0.131 8.219 8.210 0.234 0.000 0.534 117 S N 0.299 116.023 115.700 0.040 0.000 2.687 117 S HA 0.182 4.731 4.470 0.132 0.000 0.283 117 S C 0.503 175.143 174.600 0.066 0.000 1.170 117 S CA -0.808 57.440 58.200 0.081 0.000 1.008 117 S CB 2.176 65.411 63.200 0.058 0.000 1.026 117 S HN 0.056 8.370 8.310 0.007 0.000 0.541 118 Y N 3.936 124.243 120.300 0.012 0.000 2.081 118 Y HA -0.552 3.890 4.550 -0.180 0.000 0.280 118 Y C 0.401 176.174 175.900 -0.212 0.000 1.163 118 Y CA 4.695 62.708 58.100 -0.145 0.000 1.135 118 Y CB 0.144 38.505 38.460 -0.165 0.000 0.970 118 Y HN 0.312 8.761 8.280 0.283 0.000 0.498 119 D N -4.121 116.161 120.400 -0.195 0.000 2.158 119 D HA -0.481 3.904 4.640 -0.426 0.000 0.197 119 D C 1.996 178.098 176.300 -0.331 0.000 0.995 119 D CA 3.213 57.043 54.000 -0.283 0.000 0.846 119 D CB -1.081 39.677 40.800 -0.070 0.000 0.941 119 D HN 0.342 8.756 8.370 0.074 0.000 0.456 120 E N -0.610 119.430 120.200 -0.268 0.000 2.110 120 E HA -0.303 3.863 4.350 -0.306 0.000 0.193 120 E C 1.898 178.198 176.600 -0.501 0.000 0.988 120 E CA 2.434 58.621 56.400 -0.354 0.000 0.804 120 E CB -0.414 29.108 29.700 -0.298 0.000 0.745 120 E HN -0.646 7.500 8.360 -0.180 0.106 0.458 121 M N 0.001 119.315 119.600 -0.476 0.000 2.080 121 M HA -0.289 3.902 4.480 -0.482 0.000 0.260 121 M C 2.209 178.243 176.300 -0.444 0.000 1.068 121 M CA 2.531 57.545 55.300 -0.476 0.000 1.109 121 M CB -0.783 31.551 32.600 -0.444 0.000 1.342 121 M HN -0.452 7.472 8.290 -0.422 0.114 0.405 122 L N -1.982 118.904 121.223 -0.562 0.000 2.201 122 L HA -0.209 3.928 4.340 -0.337 0.000 0.212 122 L C 1.353 178.064 176.870 -0.266 0.000 1.105 122 L CA 2.546 57.135 54.840 -0.418 0.000 0.775 122 L CB -0.584 41.169 42.059 -0.509 0.000 0.913 122 L HN -0.282 7.497 8.230 -0.752 0.000 0.440 123 R N -0.983 119.353 120.500 -0.274 0.000 2.153 123 R HA -0.251 4.032 4.340 -0.094 0.000 0.218 123 R C 2.214 178.438 176.300 -0.126 0.000 1.072 123 R CA 3.128 59.135 56.100 -0.155 0.000 0.990 123 R CB -0.407 29.816 30.300 -0.128 0.000 0.889 123 R HN -0.371 7.567 8.270 -0.351 0.122 0.452 124 I N -0.282 120.129 120.570 -0.266 0.000 2.163 124 I HA -0.405 3.724 4.170 -0.069 0.000 0.240 124 I C 1.547 177.654 176.117 -0.017 0.000 1.081 124 I CA 3.971 65.163 61.300 -0.180 0.000 1.353 124 I CB 0.502 38.300 38.000 -0.337 0.000 1.054 124 I HN 0.139 8.003 8.210 -0.375 0.121 0.407 125 V N -3.498 116.392 119.914 -0.039 0.000 2.490 125 V HA -0.575 3.590 4.120 0.075 0.000 0.250 125 V C 1.362 177.493 176.094 0.062 0.000 1.061 125 V CA 4.064 66.382 62.300 0.030 0.000 1.064 125 V CB -0.465 31.358 31.823 0.001 0.000 0.670 125 V HN -0.605 7.519 8.190 -0.111 0.000 0.461 126 D N 0.521 120.935 120.400 0.023 0.000 2.117 126 D HA -0.308 4.381 4.640 0.082 0.000 0.197 126 D C 1.689 178.080 176.300 0.151 0.000 0.987 126 D CA 3.046 57.090 54.000 0.073 0.000 0.829 126 D CB -0.132 40.679 40.800 0.018 0.000 0.961 126 D HN -0.543 7.698 8.370 -0.034 0.108 0.460 127 A N -0.112 122.791 122.820 0.138 0.000 1.883 127 A HA -0.297 4.154 4.320 0.217 0.000 0.217 127 A C 2.192 179.875 177.584 0.166 0.000 1.186 127 A CA 3.031 55.180 52.037 0.187 0.000 0.624 127 A CB -0.476 18.645 19.000 0.201 0.000 0.822 127 A HN -0.568 7.561 8.150 0.103 0.083 0.444 128 I N -2.556 118.099 120.570 0.141 0.000 2.361 128 I HA -0.534 3.689 4.170 0.087 0.000 0.251 128 I C 1.753 177.920 176.117 0.083 0.000 1.133 128 I CA 3.731 65.094 61.300 0.105 0.000 1.413 128 I CB 0.005 38.068 38.000 0.105 0.000 1.073 128 I HN -0.754 7.537 8.210 0.135 0.000 0.424 129 Y N -1.119 119.183 120.300 0.003 0.000 2.421 129 Y HA -0.424 4.112 4.550 -0.023 0.000 0.292 129 Y C 0.824 176.692 175.900 -0.053 0.000 1.136 129 Y CA 2.999 61.085 58.100 -0.023 0.000 1.255 129 Y CB -0.079 38.368 38.460 -0.022 0.000 0.991 129 Y HN -0.139 8.158 8.280 0.234 0.124 0.552 130 K N -0.782 119.587 120.400 -0.052 0.000 2.044 130 K HA -0.301 3.873 4.320 -0.242 0.000 0.204 130 K C 2.481 178.889 176.600 -0.321 0.000 1.049 130 K CA 2.649 58.811 56.287 -0.209 0.000 0.945 130 K CB -0.112 32.287 32.500 -0.168 0.000 0.724 130 K HN -0.567 7.568 8.250 0.080 0.163 0.440 131 M N 0.123 119.596 119.600 -0.211 0.000 2.374 131 M HA -0.201 4.121 4.480 -0.262 0.000 0.264 131 M C 2.176 178.369 176.300 -0.179 0.000 1.067 131 M CA 1.766 56.960 55.300 -0.177 0.000 1.103 131 M CB -0.323 32.266 32.600 -0.019 0.000 1.402 131 M HN -0.576 7.660 8.290 -0.090 0.000 0.444 132 V N -0.092 119.691 119.914 -0.219 0.000 2.490 132 V HA -0.334 3.688 4.120 -0.163 0.000 0.250 132 V C 1.604 177.541 176.094 -0.262 0.000 1.061 132 V CA 4.174 66.337 62.300 -0.229 0.000 1.064 132 V CB 0.012 31.673 31.823 -0.270 0.000 0.670 132 V HN -0.375 7.545 8.190 -0.224 0.136 0.461 133 G N -3.358 105.238 108.800 -0.341 0.000 2.598 133 G HA2 -0.145 3.660 3.960 -0.257 0.000 0.215 133 G HA3 -0.145 3.627 3.960 -0.313 0.000 0.215 133 G C 0.114 174.892 174.900 -0.203 0.000 1.131 133 G CA 1.367 46.297 45.100 -0.283 0.000 0.785 133 G HN -0.602 7.324 8.290 -0.406 0.120 0.539 134 S N -1.568 114.018 115.700 -0.190 0.000 2.503 134 S HA 0.031 4.406 4.470 -0.159 0.000 0.217 134 S C 0.397 174.959 174.600 -0.063 0.000 0.999 134 S CA 0.801 58.918 58.200 -0.139 0.000 0.914 134 S CB 0.556 63.677 63.200 -0.133 0.000 0.782 134 S HN -0.399 7.589 8.310 -0.207 0.198 0.520 135 M N -1.990 117.562 119.600 -0.081 0.000 2.886 135 M HA 0.147 4.614 4.480 -0.021 0.000 0.199 135 M C 0.288 176.545 176.300 -0.073 0.000 1.435 135 M CA 1.061 56.324 55.300 -0.062 0.000 1.387 135 M CB 1.258 33.799 32.600 -0.097 0.000 0.981 135 M HN -0.763 7.297 8.290 -0.119 0.158 0.533 136 V N 0.895 120.752 119.914 -0.094 0.000 3.036 136 V HA 0.076 4.161 4.120 -0.058 0.000 0.308 136 V C -1.845 174.200 176.094 -0.081 0.000 1.070 136 V CA -2.244 60.010 62.300 -0.076 0.000 1.056 136 V CB 2.180 33.958 31.823 -0.075 0.000 1.084 136 V HN -0.562 7.559 8.190 -0.114 0.000 0.471 137 K N 3.619 123.984 120.400 -0.058 0.000 2.312 137 K HA -0.091 4.186 4.320 -0.071 0.000 0.287 137 K C -0.316 176.252 176.600 -0.053 0.000 1.062 137 K CA -0.395 55.858 56.287 -0.057 0.000 0.934 137 K CB 0.122 32.601 32.500 -0.035 0.000 1.027 137 K HN 0.190 8.414 8.250 -0.044 0.000 0.478 138 L N 6.985 128.166 121.223 -0.071 0.000 2.584 138 L HA -0.010 4.303 4.340 -0.045 0.000 0.272 138 L C -0.643 176.230 176.870 0.006 0.000 1.195 138 L CA -0.886 53.930 54.840 -0.040 0.000 0.920 138 L CB -1.149 40.882 42.059 -0.047 0.000 1.173 138 L HN 0.446 8.620 8.230 -0.092 0.000 0.489 139 P HA 0.005 4.434 4.420 0.014 0.000 0.300 139 P C -1.415 175.904 177.300 0.033 0.000 1.294 139 P CA -0.049 63.066 63.100 0.027 0.000 0.757 139 P CB 0.632 32.352 31.700 0.033 0.000 1.377 140 E N -4.726 115.490 120.200 0.026 0.000 3.843 140 E HA 0.205 4.572 4.350 0.029 0.000 0.189 140 E C -1.845 174.765 176.600 0.017 0.000 1.013 140 E CA -0.180 56.233 56.400 0.022 0.000 1.395 140 E CB 0.512 30.221 29.700 0.014 0.000 1.136 140 E HN -0.161 8.212 8.360 0.022 0.000 0.444 141 D N -1.036 119.376 120.400 0.020 0.000 2.682 141 D HA 0.064 4.709 4.640 0.009 0.000 0.291 141 D C -1.237 175.070 176.300 0.012 0.000 1.585 141 D CA 0.729 54.737 54.000 0.013 0.000 0.845 141 D CB 0.615 41.423 40.800 0.013 0.000 1.323 141 D HN -0.132 8.255 8.370 0.029 0.000 0.438 142 E N -0.565 119.645 120.200 0.017 0.000 3.428 142 E HA 0.212 4.561 4.350 -0.001 0.000 0.191 142 E C -1.513 175.076 176.600 -0.019 0.000 0.980 142 E CA -0.787 55.617 56.400 0.007 0.000 1.305 142 E CB 0.676 30.392 29.700 0.027 0.000 1.105 142 E HN -0.154 8.221 8.360 0.026 0.000 0.455 143 D N 0.682 121.067 120.400 -0.025 0.000 2.357 143 D HA -0.052 4.535 4.640 -0.089 0.000 0.242 143 D C 0.133 176.375 176.300 -0.097 0.000 1.153 143 D CA 0.620 54.582 54.000 -0.063 0.000 0.918 143 D CB 0.710 41.491 40.800 -0.032 0.000 1.181 143 D HN -0.199 8.165 8.370 -0.010 0.000 0.435 144 T N 0.031 114.496 114.554 -0.148 0.000 3.501 144 T HA -0.177 4.080 4.350 -0.155 0.000 0.411 144 T C -1.170 173.451 174.700 -0.131 0.000 0.766 144 T CA -0.054 61.967 62.100 -0.133 0.000 2.129 144 T CB -0.801 68.022 68.868 -0.074 0.000 1.711 144 T HN 0.079 8.209 8.240 -0.184 0.000 0.712 145 P HA -0.152 4.205 4.420 -0.104 0.000 0.234 145 P C 0.596 177.837 177.300 -0.099 0.000 1.162 145 P CA 1.140 64.151 63.100 -0.148 0.000 0.759 145 P CB 0.014 31.586 31.700 -0.213 0.000 0.813 146 E N 0.631 120.772 120.200 -0.098 0.000 2.031 146 E HA -0.473 3.825 4.350 -0.086 0.000 0.193 146 E C 1.754 178.343 176.600 -0.018 0.000 0.994 146 E CA 3.996 60.358 56.400 -0.063 0.000 0.800 146 E CB -0.351 29.320 29.700 -0.049 0.000 0.752 146 E HN 0.507 8.672 8.360 -0.115 0.126 0.447 147 K N -1.908 118.483 120.400 -0.016 0.000 2.127 147 K HA -0.464 3.864 4.320 0.013 0.000 0.208 147 K C 2.346 178.956 176.600 0.017 0.000 1.047 147 K CA 3.701 59.990 56.287 0.003 0.000 0.927 147 K CB -0.191 32.306 32.500 -0.005 0.000 0.716 147 K HN -0.600 7.631 8.250 -0.032 0.000 0.450 148 R N -2.119 118.385 120.500 0.007 0.000 2.057 148 R HA -0.259 4.101 4.340 0.033 0.000 0.229 148 R C 2.296 178.627 176.300 0.052 0.000 1.136 148 R CA 2.997 59.112 56.100 0.026 0.000 0.952 148 R CB -0.144 30.165 30.300 0.014 0.000 0.848 148 R HN -0.799 7.339 8.270 -0.014 0.123 0.430 149 V N -0.325 119.607 119.914 0.031 0.000 2.324 149 V HA -0.589 3.587 4.120 0.093 0.000 0.250 149 V C 1.278 177.441 176.094 0.114 0.000 1.060 149 V CA 4.609 66.939 62.300 0.048 0.000 1.042 149 V CB -0.043 31.735 31.823 -0.074 0.000 0.650 149 V HN -0.322 7.866 8.190 -0.003 0.000 0.450 150 N N -1.257 117.503 118.700 0.100 0.000 2.149 150 N HA -0.379 4.439 4.740 0.131 0.000 0.188 150 N C 1.758 177.354 175.510 0.144 0.000 1.019 150 N CA 3.671 56.792 53.050 0.118 0.000 0.857 150 N CB 0.011 38.537 38.487 0.065 0.000 0.997 150 N HN 0.252 8.668 8.380 0.065 0.004 0.426 151 K N 0.164 120.631 120.400 0.112 0.000 2.063 151 K HA -0.325 4.046 4.320 0.084 0.000 0.208 151 K C 2.258 178.946 176.600 0.147 0.000 1.048 151 K CA 3.134 59.483 56.287 0.103 0.000 0.928 151 K CB -0.274 32.271 32.500 0.074 0.000 0.713 151 K HN -0.768 7.426 8.250 0.088 0.108 0.442 152 I N -1.005 119.685 120.570 0.200 0.000 2.127 152 I HA -0.407 3.858 4.170 0.158 0.000 0.241 152 I C 2.228 178.521 176.117 0.294 0.000 1.075 152 I CA 2.526 63.972 61.300 0.243 0.000 1.334 152 I CB -1.389 36.808 38.000 0.327 0.000 1.040 152 I HN -0.598 7.637 8.210 0.188 0.088 0.405 153 F N -1.073 118.934 119.950 0.096 0.000 2.202 153 F HA -0.442 4.131 4.527 0.077 0.000 0.301 153 F C 2.489 178.303 175.800 0.024 0.000 1.082 153 F CA 3.390 61.431 58.000 0.068 0.000 1.313 153 F CB -0.884 38.156 39.000 0.065 0.000 1.024 153 F HN -0.449 8.262 8.300 0.685 0.000 0.495 154 N N -1.232 117.590 118.700 0.204 0.000 2.270 154 N HA -0.294 4.493 4.740 0.077 0.000 0.181 154 N C 1.711 177.257 175.510 0.061 0.000 1.016 154 N CA 2.539 55.647 53.050 0.097 0.000 0.870 154 N CB 0.351 38.884 38.487 0.076 0.000 0.979 154 N HN 0.150 8.464 8.380 0.243 0.211 0.431 155 M N -0.373 119.270 119.600 0.071 0.000 2.086 155 M HA -0.308 4.191 4.480 0.032 0.000 0.261 155 M C 1.337 177.645 176.300 0.013 0.000 1.067 155 M CA 3.273 58.597 55.300 0.040 0.000 1.116 155 M CB 0.343 32.973 32.600 0.049 0.000 1.348 155 M HN 0.193 8.311 8.290 0.107 0.237 0.407 156 M N -5.868 113.730 119.600 -0.003 0.000 2.558 156 M HA 0.023 4.483 4.480 -0.032 0.000 0.255 156 M C -0.311 175.962 176.300 -0.044 0.000 1.113 156 M CA 0.292 55.567 55.300 -0.043 0.000 1.097 156 M CB 0.154 32.694 32.600 -0.100 0.000 1.426 156 M HN -0.447 7.850 8.290 0.012 0.000 0.488 157 D N -1.478 118.910 120.400 -0.021 0.000 3.729 157 D HA -0.279 4.364 4.640 0.005 0.000 0.242 157 D C -1.374 174.905 176.300 -0.035 0.000 1.091 157 D CA 1.252 55.244 54.000 -0.014 0.000 1.096 157 D CB -0.945 39.847 40.800 -0.013 0.000 0.901 157 D HN -0.348 7.907 8.370 0.002 0.116 0.416 158 K N 0.987 121.368 120.400 -0.031 0.000 2.380 158 K HA 0.243 4.527 4.320 -0.060 0.000 0.243 158 K C -0.358 176.243 176.600 0.002 0.000 1.071 158 K CA -2.248 54.012 56.287 -0.045 0.000 0.942 158 K CB 1.816 34.241 32.500 -0.124 0.000 1.324 158 K HN -0.736 7.518 8.250 0.006 0.000 0.517 159 N N 0.174 118.881 118.700 0.011 0.000 2.471 159 N HA -0.009 4.730 4.740 -0.002 0.000 0.205 159 N C -0.131 175.378 175.510 -0.002 0.000 1.251 159 N CA 0.691 53.746 53.050 0.008 0.000 0.843 159 N CB -0.394 38.100 38.487 0.013 0.000 1.044 159 N HN 0.303 8.686 8.380 0.006 0.000 0.461 160 K N -4.101 116.304 120.400 0.009 0.000 3.281 160 K HA -0.366 3.880 4.320 -0.124 0.000 0.308 160 K C -1.415 175.042 176.600 -0.238 0.000 1.218 160 K CA 1.810 58.025 56.287 -0.121 0.000 0.923 160 K CB -0.845 31.576 32.500 -0.131 0.000 1.222 160 K HN 0.263 8.401 8.250 0.054 0.144 0.440 161 D N -6.392 113.984 120.400 -0.040 0.000 2.058 161 D HA -0.018 4.603 4.640 -0.031 0.000 0.537 161 D C -0.012 176.366 176.300 0.131 0.000 0.886 161 D CA 0.592 54.598 54.000 0.010 0.000 1.044 161 D CB 0.872 41.667 40.800 -0.009 0.000 1.478 161 D HN -0.277 7.995 8.370 0.040 0.122 0.480 162 G N -0.231 108.637 108.800 0.114 0.000 2.825 162 G HA2 -0.173 3.833 3.960 0.078 0.000 0.241 162 G HA3 -0.173 3.827 3.960 0.067 0.000 0.241 162 G C -0.807 174.190 174.900 0.163 0.000 1.239 162 G CA 0.102 45.264 45.100 0.102 0.000 0.859 162 G HN -0.367 7.866 8.290 0.081 0.106 0.598 163 Q N -1.647 118.221 119.800 0.113 0.000 2.212 163 Q HA 0.212 4.756 4.340 0.183 -0.094 0.238 163 Q C -0.810 175.244 176.000 0.090 0.000 0.955 163 Q CA -0.227 55.654 55.803 0.129 0.000 0.906 163 Q CB 1.819 30.616 28.738 0.097 0.000 1.215 163 Q HN 0.069 8.387 8.270 0.079 0.000 0.478 164 L N -0.324 120.964 121.223 0.108 0.000 2.309 164 L HA 0.468 4.810 4.340 0.002 0.000 0.261 164 L C -2.110 174.820 176.870 0.100 0.000 1.021 164 L CA -1.829 53.043 54.840 0.052 0.000 0.823 164 L CB 4.183 46.254 42.059 0.020 0.000 1.366 164 L HN 0.128 8.445 8.230 0.145 0.000 0.423 165 T N -2.008 112.572 114.554 0.045 0.000 2.950 165 T HA 0.322 4.736 4.350 0.107 0.000 0.288 165 T C 1.111 175.686 174.700 -0.208 0.000 1.035 165 T CA -2.430 59.661 62.100 -0.015 0.000 1.028 165 T CB 2.736 71.583 68.868 -0.034 0.000 1.109 165 T HN -0.272 7.974 8.240 0.010 0.000 0.514 166 L N 2.707 123.450 121.223 -0.801 0.000 1.951 166 L HA -0.498 3.374 4.340 -0.781 0.000 0.222 166 L C 1.480 178.166 176.870 -0.307 0.000 1.078 166 L CA 5.102 59.377 54.840 -0.941 0.000 0.778 166 L CB -0.229 41.001 42.059 -1.381 0.000 0.893 166 L HN 0.855 8.487 8.230 -0.998 0.000 0.436 167 E N -2.658 117.388 120.200 -0.258 0.000 2.068 167 E HA -0.439 3.835 4.350 -0.127 0.000 0.207 167 E C 2.650 179.195 176.600 -0.091 0.000 1.032 167 E CA 3.534 59.853 56.400 -0.135 0.000 0.839 167 E CB -0.754 28.887 29.700 -0.099 0.000 0.758 167 E HN 0.405 8.577 8.360 -0.312 0.000 0.457 168 E N -1.257 118.904 120.200 -0.065 0.000 2.051 168 E HA -0.297 4.025 4.350 -0.046 0.000 0.192 168 E C 2.129 178.746 176.600 0.029 0.000 0.991 168 E CA 2.079 58.459 56.400 -0.033 0.000 0.799 168 E CB -0.444 29.233 29.700 -0.038 0.000 0.748 168 E HN -0.836 7.476 8.360 -0.079 0.000 0.449 169 F N 2.001 121.888 119.950 -0.104 0.000 2.120 169 F HA -0.353 4.163 4.527 -0.018 0.000 0.300 169 F C 1.784 177.570 175.800 -0.025 0.000 1.095 169 F CA 2.211 60.187 58.000 -0.040 0.000 1.249 169 F CB -0.364 38.628 39.000 -0.014 0.000 0.995 169 F HN 0.670 8.862 8.300 0.123 0.181 0.480 170 C N -2.364 116.774 119.300 -0.271 0.000 2.435 170 C HA -0.272 3.821 4.460 -0.613 0.000 0.279 170 C C 2.325 177.192 174.990 -0.205 0.000 1.321 170 C CA 3.859 62.657 59.018 -0.366 0.000 1.752 170 C CB -0.721 26.883 27.740 -0.227 0.000 1.959 170 C HN 0.363 8.515 8.230 -0.119 0.006 0.500 171 E N 1.245 121.375 120.200 -0.117 0.000 2.106 171 E HA -0.212 4.093 4.350 -0.074 0.000 0.192 171 E C 1.804 178.372 176.600 -0.054 0.000 0.984 171 E CA 2.621 58.977 56.400 -0.074 0.000 0.806 171 E CB -0.845 28.822 29.700 -0.055 0.000 0.750 171 E HN -0.598 7.570 8.360 -0.098 0.133 0.458 172 G N -2.247 106.535 108.800 -0.030 0.000 2.418 172 G HA2 -0.236 3.731 3.960 0.011 0.000 0.217 172 G HA3 -0.236 3.773 3.960 0.081 0.000 0.217 172 G C 1.200 176.108 174.900 0.014 0.000 1.158 172 G CA 2.216 47.329 45.100 0.022 0.000 0.771 172 G HN 0.167 8.345 8.290 -0.023 0.098 0.545 173 S N 0.297 115.963 115.700 -0.057 0.000 2.428 173 S HA -0.137 4.333 4.470 0.000 0.000 0.230 173 S C 1.889 176.455 174.600 -0.057 0.000 1.014 173 S CA 2.026 60.186 58.200 -0.067 0.000 0.957 173 S CB -0.473 62.610 63.200 -0.195 0.000 0.784 173 S HN -0.610 7.615 8.310 -0.132 0.006 0.499 174 K N 3.628 123.986 120.400 -0.070 0.000 2.032 174 K HA -0.250 4.038 4.320 -0.052 0.000 0.209 174 K C 1.849 178.434 176.600 -0.026 0.000 1.048 174 K CA 2.751 59.007 56.287 -0.050 0.000 0.927 174 K CB -0.112 32.356 32.500 -0.054 0.000 0.712 174 K HN -0.256 7.809 8.250 -0.091 0.131 0.441 175 R N -3.337 117.153 120.500 -0.017 0.000 2.357 175 R HA -0.091 4.245 4.340 -0.007 0.000 0.202 175 R C -0.681 175.622 176.300 0.005 0.000 1.047 175 R CA 0.804 56.902 56.100 -0.004 0.000 1.034 175 R CB 0.244 30.545 30.300 0.002 0.000 0.875 175 R HN -0.698 7.560 8.270 -0.020 0.000 0.473 176 D N -1.660 118.743 120.400 0.005 0.000 2.378 176 D HA 0.401 5.050 4.640 0.016 0.000 0.265 176 D C -1.294 175.010 176.300 0.007 0.000 1.229 176 D CA -2.778 51.231 54.000 0.014 0.000 0.914 176 D CB 1.938 42.757 40.800 0.032 0.000 1.140 176 D HN -0.439 7.676 8.370 -0.005 0.252 0.516 177 P HA -0.103 4.315 4.420 -0.004 0.000 0.222 177 P C 0.975 178.281 177.300 0.010 0.000 1.147 177 P CA 1.683 64.784 63.100 0.002 0.000 0.790 177 P CB 0.300 32.002 31.700 0.002 0.000 0.780 178 T N -1.704 112.859 114.554 0.016 0.000 2.778 178 T HA -0.271 4.092 4.350 0.022 0.000 0.269 178 T C 1.923 176.639 174.700 0.027 0.000 1.050 178 T CA 3.845 65.958 62.100 0.023 0.000 1.137 178 T CB -0.503 68.381 68.868 0.027 0.000 0.860 178 T HN 0.106 8.315 8.240 0.017 0.042 0.468 179 I N -1.480 119.105 120.570 0.025 0.000 2.928 179 I HA -0.265 3.929 4.170 0.040 0.000 0.266 179 I C 0.911 177.037 176.117 0.016 0.000 1.234 179 I CA 2.285 63.602 61.300 0.028 0.000 1.483 179 I CB 0.099 38.114 38.000 0.025 0.000 1.097 179 I HN -0.378 7.709 8.210 0.021 0.135 0.455 180 V N -1.171 118.748 119.914 0.007 0.000 3.174 180 V HA -0.238 3.881 4.120 -0.001 0.000 0.254 180 V C 1.042 177.143 176.094 0.013 0.000 1.120 180 V CA 2.414 64.715 62.300 0.002 0.000 1.114 180 V CB 0.274 32.093 31.823 -0.007 0.000 0.756 180 V HN -0.026 8.020 8.190 0.007 0.149 0.467 181 S N 0.296 116.007 115.700 0.018 0.000 2.478 181 S HA -0.084 4.398 4.470 0.021 0.000 0.222 181 S C 1.585 176.205 174.600 0.034 0.000 1.008 181 S CA 2.305 60.519 58.200 0.023 0.000 0.928 181 S CB 0.260 63.473 63.200 0.021 0.000 0.781 181 S HN 0.534 8.645 8.310 0.018 0.209 0.518 182 A N 2.186 125.027 122.820 0.035 0.000 1.917 182 A HA -0.248 4.096 4.320 0.040 0.000 0.219 182 A C 1.329 178.943 177.584 0.050 0.000 1.182 182 A CA 2.931 54.993 52.037 0.042 0.000 0.633 182 A CB -0.578 18.448 19.000 0.044 0.000 0.819 182 A HN -0.399 7.740 8.150 0.032 0.030 0.448 183 L N -3.975 117.278 121.223 0.051 0.000 2.209 183 L HA -0.068 4.320 4.340 0.080 0.000 0.207 183 L C 1.722 178.643 176.870 0.085 0.000 1.094 183 L CA 1.696 56.578 54.840 0.069 0.000 0.790 183 L CB 0.438 42.528 42.059 0.053 0.000 0.932 183 L HN -0.247 8.001 8.230 0.042 0.006 0.447 184 S N -0.964 114.769 115.700 0.056 0.000 2.419 184 S HA -0.192 4.506 4.470 0.034 -0.208 0.233 184 S C 1.748 176.386 174.600 0.063 0.000 1.016 184 S CA 2.430 60.656 58.200 0.044 0.000 0.974 184 S CB 0.223 63.437 63.200 0.024 0.000 0.786 184 S HN -0.672 7.579 8.310 0.043 0.085 0.492 185 L N 2.859 124.130 121.223 0.080 0.000 2.933 185 L HA -0.194 4.188 4.340 0.070 0.000 0.258 185 L C -1.669 175.314 176.870 0.189 0.000 1.253 185 L CA 0.525 55.422 54.840 0.095 0.000 1.096 185 L CB -1.294 40.808 42.059 0.072 0.000 1.432 185 L HN -0.486 7.757 8.230 0.071 0.030 0.418 186 Y N -1.599 118.699 120.300 -0.003 0.000 3.340 186 Y HA 0.081 4.629 4.550 -0.003 0.000 0.207 186 Y C -1.710 174.186 175.900 -0.008 0.000 0.778 186 Y CA 0.163 58.260 58.100 -0.004 0.000 1.143 186 Y CB 0.627 39.084 38.460 -0.004 0.000 1.255 186 Y HN 0.003 8.204 8.280 0.122 0.153 0.666 187 D N 3.498 123.806 120.400 -0.154 0.000 2.552 187 D HA 0.186 4.634 4.640 -0.321 0.000 0.285 187 D C -0.539 175.673 176.300 -0.146 0.000 1.206 187 D CA 0.824 54.706 54.000 -0.196 0.000 0.826 187 D CB 0.553 41.299 40.800 -0.091 0.000 1.179 187 D HN -0.285 8.054 8.370 -0.053 0.000 0.508 188 G N -1.189 107.502 108.800 -0.182 0.000 4.694 188 G HA2 -0.136 3.766 3.960 -0.095 0.000 0.218 188 G HA3 -0.136 3.778 3.960 -0.075 0.000 0.218 188 G C -0.601 174.236 174.900 -0.104 0.000 0.652 188 G CA 0.147 45.182 45.100 -0.108 0.000 0.904 188 G HN 0.051 8.172 8.290 -0.282 0.000 0.667 189 L N -2.241 118.887 121.223 -0.159 0.000 3.425 189 L HA 0.499 4.797 4.340 -0.070 0.000 0.330 189 L C -0.266 176.527 176.870 -0.127 0.000 1.317 189 L CA -0.918 53.858 54.840 -0.107 0.000 0.940 189 L CB 0.655 42.679 42.059 -0.058 0.000 1.378 189 L HN -0.209 7.868 8.230 -0.254 0.000 0.611 190 V N 0.000 119.820 119.914 -0.157 0.000 2.409 190 V HA 0.000 4.055 4.120 -0.108 0.000 0.244 190 V CA 0.000 62.222 62.300 -0.130 0.000 1.235 190 V CB 0.000 31.718 31.823 -0.176 0.000 1.184 190 V HN 0.000 8.094 8.190 -0.160 0.000 0.556