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 1cf4_19_A DATA FIRST_RESID 1 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG LEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAALEPP EPKK 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 M HA 0.000 4.456 4.480 -0.041 0.000 0.227 1 M C 0.000 176.240 176.300 -0.099 0.000 1.140 1 M CA 0.000 55.260 55.300 -0.068 0.000 0.988 1 M CB 0.000 32.545 32.600 -0.092 0.000 1.302 2 Q N 1.092 120.855 119.800 -0.062 0.000 2.352 2 Q HA 0.106 4.398 4.340 -0.080 0.000 0.260 2 Q C -0.661 175.310 176.000 -0.048 0.000 0.976 2 Q CA 0.139 55.906 55.803 -0.060 0.000 0.881 2 Q CB 0.515 29.232 28.738 -0.034 0.000 1.235 2 Q HN -0.036 8.210 8.270 -0.041 0.000 0.419 3 T N -0.289 114.235 114.554 -0.051 0.000 2.849 3 T HA 0.220 4.614 4.350 0.073 0.000 0.276 3 T C -0.909 173.812 174.700 0.035 0.000 0.971 3 T CA -0.942 61.167 62.100 0.016 0.000 0.949 3 T CB 1.455 70.328 68.868 0.009 0.000 1.093 3 T HN 0.004 8.205 8.240 -0.065 0.000 0.545 4 I N -5.268 115.338 120.570 0.061 0.000 2.841 4 I HA 0.344 4.527 4.170 0.022 0.000 0.298 4 I C -2.980 173.151 176.117 0.023 0.000 1.304 4 I CA -0.631 60.686 61.300 0.027 0.000 1.019 4 I CB 3.439 41.439 38.000 0.000 0.000 1.282 4 I HN 0.122 8.398 8.210 0.110 0.000 0.432 5 K N 4.578 124.992 120.400 0.022 0.000 2.621 5 K HA 0.513 4.830 4.320 -0.006 0.000 0.233 5 K C -1.541 175.081 176.600 0.036 0.000 0.972 5 K CA -0.373 55.928 56.287 0.023 0.000 0.988 5 K CB 1.264 33.795 32.500 0.051 0.000 1.187 5 K HN 0.370 8.637 8.250 0.029 0.000 0.471 6 C N 6.909 126.203 119.300 -0.010 0.000 2.281 6 C HA 0.420 5.094 4.460 0.090 -0.161 0.323 6 C C -1.436 173.646 174.990 0.153 0.000 1.270 6 C CA -1.332 57.711 59.018 0.041 0.000 1.559 6 C CB 1.599 29.311 27.740 -0.047 0.000 2.239 6 C HN 0.636 8.825 8.230 -0.069 0.000 0.488 7 V N 3.462 123.443 119.914 0.112 0.000 2.612 7 V HA 0.304 4.726 4.120 0.504 0.000 0.301 7 V C -1.879 174.237 176.094 0.038 0.000 1.046 7 V CA -2.380 60.002 62.300 0.137 0.000 0.946 7 V CB 2.238 33.916 31.823 -0.242 0.000 1.003 7 V HN 0.031 8.221 8.190 0.000 0.000 0.459 8 V N 3.972 123.830 119.914 -0.094 0.000 2.368 8 V HA -0.010 4.007 4.120 -0.173 0.000 0.266 8 V C -1.216 174.711 176.094 -0.279 0.000 1.045 8 V CA -0.487 61.599 62.300 -0.358 0.000 0.899 8 V CB -0.326 30.943 31.823 -0.923 0.000 1.006 8 V HN 0.135 8.306 8.190 -0.031 0.000 0.470 9 V N 1.993 121.784 119.914 -0.205 0.000 2.962 9 V HA 0.600 4.603 4.120 -0.196 0.000 0.313 9 V C -1.799 174.226 176.094 -0.115 0.000 1.099 9 V CA -2.358 59.827 62.300 -0.192 0.000 0.971 9 V CB 3.204 34.880 31.823 -0.244 0.000 1.028 9 V HN 0.059 8.168 8.190 -0.134 0.000 0.430 10 G N 2.925 111.627 108.800 -0.164 0.000 2.250 10 G HA2 -0.256 3.354 3.960 -0.584 0.000 0.196 10 G HA3 -0.256 3.779 3.960 0.124 0.000 0.196 10 G C -1.640 173.387 174.900 0.212 0.000 1.308 10 G CA 0.319 45.370 45.100 -0.082 0.000 1.207 10 G HN -0.356 7.814 8.290 -0.200 0.000 0.505 11 D N 2.894 123.622 120.400 0.547 0.000 2.388 11 D HA 0.201 5.045 4.640 0.341 0.000 0.208 11 D C 0.756 177.187 176.300 0.218 0.000 1.035 11 D CA 0.171 54.415 54.000 0.406 0.000 0.875 11 D CB 1.257 42.308 40.800 0.418 0.000 0.984 11 D HN 0.281 9.106 8.370 0.759 0.000 0.508 12 G N -0.986 107.937 108.800 0.206 0.000 2.441 12 G HA2 0.187 4.203 3.960 0.093 0.000 0.334 12 G HA3 0.187 4.224 3.960 0.128 0.000 0.334 12 G C -0.908 174.019 174.900 0.045 0.000 1.161 12 G CA -0.927 44.242 45.100 0.116 0.000 0.935 12 G HN -0.847 7.607 8.290 0.274 0.000 0.488 13 A N 0.542 123.367 122.820 0.009 0.000 2.238 13 A HA -0.004 4.257 4.320 -0.098 0.000 0.208 13 A C 0.386 177.925 177.584 -0.074 0.000 1.177 13 A CA -0.106 51.900 52.037 -0.052 0.000 0.804 13 A CB -0.260 18.726 19.000 -0.024 0.000 0.823 13 A HN 0.258 8.423 8.150 0.025 0.000 0.482 14 V N -7.010 112.903 119.914 -0.001 0.000 4.075 14 V HA -0.413 3.755 4.120 0.081 0.000 0.218 14 V C 0.017 176.125 176.094 0.023 0.000 0.527 14 V CA 0.682 63.015 62.300 0.055 0.000 0.911 14 V CB -1.433 30.465 31.823 0.125 0.000 0.963 14 V HN -0.285 7.831 8.190 0.029 0.091 1.147 15 G N -4.601 104.196 108.800 -0.005 0.000 2.233 15 G HA2 -0.425 3.560 3.960 0.041 0.000 0.270 15 G HA3 -0.425 3.504 3.960 -0.053 0.000 0.270 15 G C 1.016 175.878 174.900 -0.063 0.000 1.011 15 G CA 0.764 45.852 45.100 -0.021 0.000 0.762 15 G HN -0.137 8.121 8.290 0.011 0.038 0.511 16 K N -1.224 119.139 120.400 -0.061 0.000 2.097 16 K HA -0.380 4.128 4.320 0.315 0.000 0.214 16 K C 0.848 177.571 176.600 0.205 0.000 1.052 16 K CA 2.873 59.199 56.287 0.065 0.000 0.932 16 K CB -0.693 31.607 32.500 -0.334 0.000 0.716 16 K HN 0.578 8.592 8.250 -0.105 0.173 0.455 17 T N -1.049 113.600 114.554 0.160 0.000 2.980 17 T HA 0.096 4.555 4.350 0.182 0.000 0.239 17 T C 1.164 175.946 174.700 0.137 0.000 1.011 17 T CA 1.629 63.837 62.100 0.179 0.000 1.171 17 T CB -0.639 68.359 68.868 0.218 0.000 0.873 17 T HN -0.105 8.217 8.240 0.149 0.008 0.431 18 C N 2.897 122.307 119.300 0.183 0.000 2.398 18 C HA -0.281 4.335 4.460 0.183 -0.046 0.279 18 C C 2.022 177.045 174.990 0.055 0.000 1.250 18 C CA 3.267 62.378 59.018 0.155 0.000 1.786 18 C CB -1.322 26.526 27.740 0.179 0.000 2.018 18 C HN 0.210 8.591 8.230 0.252 0.000 0.494 19 L N -0.930 120.271 121.223 -0.035 0.000 1.941 19 L HA -0.438 3.830 4.340 -0.120 0.000 0.224 19 L C 2.261 179.111 176.870 -0.033 0.000 1.081 19 L CA 3.576 58.329 54.840 -0.144 0.000 0.784 19 L CB -0.380 41.393 42.059 -0.478 0.000 0.894 19 L HN 0.553 8.606 8.230 -0.040 0.153 0.436 20 L N -4.973 116.239 121.223 -0.019 0.000 2.307 20 L HA -0.117 4.326 4.340 0.171 0.000 0.211 20 L C 2.654 179.609 176.870 0.142 0.000 1.099 20 L CA 1.271 56.169 54.840 0.096 0.000 0.816 20 L CB -1.893 40.197 42.059 0.053 0.000 0.952 20 L HN -0.656 7.534 8.230 -0.067 0.000 0.455 21 I N 0.163 120.796 120.570 0.106 0.000 2.163 21 I HA -0.368 3.857 4.170 0.091 0.000 0.240 21 I C 2.247 178.419 176.117 0.092 0.000 1.081 21 I CA 3.235 64.595 61.300 0.100 0.000 1.353 21 I CB -1.545 36.517 38.000 0.104 0.000 1.054 21 I HN 0.899 9.065 8.210 0.088 0.097 0.407 22 S N -0.673 115.090 115.700 0.105 0.000 2.383 22 S HA -0.251 4.346 4.470 0.073 -0.083 0.227 22 S C 1.753 176.404 174.600 0.084 0.000 1.026 22 S CA 2.609 60.860 58.200 0.086 0.000 0.981 22 S CB -0.333 62.909 63.200 0.070 0.000 0.818 22 S HN -0.056 8.163 8.310 0.110 0.157 0.472 23 Y N 1.640 121.935 120.300 -0.009 0.000 2.114 23 Y HA -0.272 4.268 4.550 -0.017 0.000 0.282 23 Y C 1.305 177.202 175.900 -0.006 0.000 1.165 23 Y CA 2.936 61.028 58.100 -0.013 0.000 1.148 23 Y CB 0.092 38.543 38.460 -0.016 0.000 0.972 23 Y HN -0.578 7.833 8.280 0.218 0.000 0.504 24 T N -1.687 112.781 114.554 -0.143 0.000 2.953 24 T HA -0.022 4.075 4.350 -0.423 0.000 0.247 24 T C 0.683 175.315 174.700 -0.113 0.000 1.029 24 T CA 1.772 63.738 62.100 -0.223 0.000 1.144 24 T CB 0.665 69.476 68.868 -0.095 0.000 0.870 24 T HN -0.496 7.779 8.240 0.063 0.003 0.446 25 T N 1.452 115.986 114.554 -0.034 0.000 3.070 25 T HA 0.211 4.545 4.350 -0.027 0.000 0.295 25 T C -0.953 173.750 174.700 0.005 0.000 1.221 25 T CA -0.919 61.175 62.100 -0.011 0.000 0.926 25 T CB 1.705 70.581 68.868 0.014 0.000 2.158 25 T HN 0.300 8.434 8.240 -0.000 0.106 0.573 26 N N -5.209 113.510 118.700 0.032 0.000 2.393 26 N HA 0.048 4.822 4.740 0.057 0.000 0.256 26 N C -1.476 174.095 175.510 0.101 0.000 1.449 26 N CA -0.413 52.670 53.050 0.055 0.000 0.887 26 N CB 0.813 39.320 38.487 0.032 0.000 1.374 26 N HN -0.109 8.291 8.380 0.033 0.000 0.503 27 K N -0.783 119.681 120.400 0.107 0.000 2.258 27 K HA 0.292 4.683 4.320 0.118 0.000 0.284 27 K C -2.354 174.430 176.600 0.307 0.000 1.051 27 K CA 0.388 56.749 56.287 0.123 0.000 0.923 27 K CB 1.093 33.595 32.500 0.003 0.000 1.046 27 K HN -0.901 7.398 8.250 0.082 0.000 0.474 28 F N 4.189 124.248 119.950 0.182 0.000 1.853 28 F HA 0.367 5.293 4.527 0.664 0.000 0.305 28 F C -2.726 173.238 175.800 0.274 0.000 1.060 28 F CA 0.992 59.192 58.000 0.333 0.000 1.226 28 F CB 1.456 40.562 39.000 0.177 0.000 1.600 28 F HN -0.095 8.379 8.300 0.289 0.000 0.480 29 P HA 0.289 4.602 4.420 -0.178 0.000 0.243 29 P C -1.935 175.381 177.300 0.026 0.000 1.672 29 P CA 0.042 63.149 63.100 0.013 0.000 1.000 29 P CB -0.179 31.605 31.700 0.139 0.000 1.562 30 S N 0.033 115.767 115.700 0.057 0.000 3.049 30 S HA 0.095 4.579 4.470 0.024 0.000 0.182 30 S C -0.364 174.262 174.600 0.044 0.000 0.725 30 S CA 0.103 58.327 58.200 0.039 0.000 0.811 30 S CB 0.645 63.861 63.200 0.027 0.000 0.801 30 S HN -0.215 8.059 8.310 0.109 0.101 0.627 31 E N -0.319 119.924 120.200 0.073 0.000 2.375 31 E HA 0.067 4.487 4.350 0.118 0.000 0.280 31 E C -2.268 174.403 176.600 0.119 0.000 0.972 31 E CA -0.349 56.108 56.400 0.094 0.000 0.782 31 E CB 1.482 31.189 29.700 0.011 0.000 1.229 31 E HN -0.404 7.980 8.360 0.040 0.000 0.439 32 Y N 1.024 121.279 120.300 -0.076 0.000 2.338 32 Y HA 0.306 4.829 4.550 -0.046 0.000 0.333 32 Y C -1.117 174.751 175.900 -0.054 0.000 0.968 32 Y CA -0.186 57.878 58.100 -0.059 0.000 1.123 32 Y CB 1.185 39.606 38.460 -0.064 0.000 1.165 32 Y HN 0.301 8.717 8.280 0.228 0.000 0.452 33 V N -0.175 119.741 119.914 0.004 0.000 4.945 33 V HA 0.186 4.319 4.120 0.022 0.000 0.130 33 V C -1.056 174.985 176.094 -0.088 0.000 1.286 33 V CA 0.012 62.298 62.300 -0.023 0.000 0.949 33 V CB -1.425 30.372 31.823 -0.044 0.000 1.082 33 V HN 0.054 8.191 8.190 -0.088 0.000 0.653 34 P HA -0.180 3.994 4.420 -0.409 0.000 0.218 34 P C 1.460 178.540 177.300 -0.367 0.000 1.146 34 P CA 3.216 66.052 63.100 -0.440 0.000 0.820 34 P CB -0.391 30.930 31.700 -0.631 0.000 0.778 35 T N -1.928 112.579 114.554 -0.078 0.000 2.792 35 T HA -0.350 4.205 4.350 0.342 0.000 0.268 35 T C 1.702 176.541 174.700 0.233 0.000 1.059 35 T CA 3.579 65.781 62.100 0.169 0.000 1.136 35 T CB -0.291 68.662 68.868 0.141 0.000 0.846 35 T HN -0.078 8.050 8.240 -0.105 0.049 0.489 36 V N 1.863 121.866 119.914 0.148 0.000 2.660 36 V HA -0.357 3.862 4.120 0.166 0.000 0.257 36 V C 0.782 177.061 176.094 0.308 0.000 1.088 36 V CA 3.292 65.713 62.300 0.202 0.000 1.106 36 V CB -0.246 31.688 31.823 0.185 0.000 0.686 36 V HN -0.347 7.838 8.190 0.063 0.042 0.481 37 F N -4.017 115.913 119.950 -0.034 0.000 2.693 37 F HA 0.195 4.748 4.527 0.042 0.000 0.303 37 F C 0.145 175.557 175.800 -0.647 0.000 1.143 37 F CA -3.674 54.252 58.000 -0.124 0.000 1.389 37 F CB -2.825 36.166 39.000 -0.015 0.000 1.060 37 F HN 0.361 8.789 8.300 0.499 0.172 0.535 38 D N 2.739 122.881 120.400 -0.430 0.000 2.311 38 D HA -0.306 3.371 4.640 -1.605 0.000 0.212 38 D C 0.183 175.991 176.300 -0.821 0.000 0.972 38 D CA 2.797 56.280 54.000 -0.861 0.000 0.887 38 D CB -0.383 40.315 40.800 -0.170 0.000 0.915 38 D HN 0.153 8.476 8.370 -0.012 0.040 0.497 39 N N -3.279 115.128 118.700 -0.489 0.000 2.370 39 N HA -0.069 4.560 4.740 -0.184 0.000 0.198 39 N C 0.168 175.621 175.510 -0.095 0.000 1.156 39 N CA 0.016 52.916 53.050 -0.249 0.000 0.839 39 N CB 0.567 38.900 38.487 -0.258 0.000 0.989 39 N HN -0.259 8.059 8.380 -0.384 -0.169 0.468 40 Y N -1.355 118.845 120.300 -0.167 0.000 2.245 40 Y HA -0.215 4.293 4.550 -0.070 0.000 0.355 40 Y C -0.631 175.183 175.900 -0.144 0.000 1.278 40 Y CA -2.620 55.383 58.100 -0.163 0.000 1.593 40 Y CB -0.875 37.391 38.460 -0.324 0.000 1.393 40 Y HN -0.493 7.009 8.280 -0.986 0.187 0.662 41 A N 0.110 122.981 122.820 0.086 0.000 2.260 41 A HA 0.232 4.539 4.320 -0.021 0.000 0.308 41 A C -0.735 176.749 177.584 -0.167 0.000 1.254 41 A CA -0.688 51.327 52.037 -0.036 0.000 0.874 41 A CB 0.252 19.235 19.000 -0.028 0.000 1.153 41 A HN 0.001 8.204 8.150 0.088 0.000 0.527 42 V N 1.928 121.732 119.914 -0.183 0.000 2.715 42 V HA 0.286 4.243 4.120 -0.271 0.000 0.310 42 V C -0.846 175.133 176.094 -0.191 0.000 1.054 42 V CA -0.877 61.282 62.300 -0.235 0.000 0.928 42 V CB 1.821 33.492 31.823 -0.253 0.000 1.007 42 V HN 0.266 8.370 8.190 -0.144 0.000 0.437 43 T N 2.273 116.730 114.554 -0.162 0.000 2.864 43 T HA 0.420 4.678 4.350 -0.153 0.000 0.299 43 T C -0.940 173.699 174.700 -0.101 0.000 1.011 43 T CA -1.178 60.846 62.100 -0.128 0.000 0.975 43 T CB 0.662 69.475 68.868 -0.091 0.000 0.962 43 T HN 0.035 8.176 8.240 -0.165 0.000 0.448 44 V N 1.117 120.973 119.914 -0.097 0.000 3.130 44 V HA 0.453 4.547 4.120 -0.043 0.000 0.308 44 V C -2.398 173.680 176.094 -0.027 0.000 1.413 44 V CA -2.559 59.707 62.300 -0.057 0.000 1.053 44 V CB 3.289 35.079 31.823 -0.056 0.000 1.075 44 V HN -0.175 7.939 8.190 -0.128 0.000 0.465 45 M N 0.909 120.507 119.600 -0.003 0.000 2.152 45 M HA 0.252 4.756 4.480 0.040 0.000 0.354 45 M C -1.409 174.912 176.300 0.034 0.000 1.173 45 M CA -1.413 53.901 55.300 0.023 0.000 1.110 45 M CB -0.410 32.201 32.600 0.019 0.000 1.366 45 M HN 0.025 8.311 8.290 -0.007 0.000 0.415 46 I N 8.711 129.321 120.570 0.067 0.000 2.278 46 I HA -0.138 4.060 4.170 0.047 0.000 0.300 46 I C 0.501 176.659 176.117 0.070 0.000 1.174 46 I CA -0.569 60.778 61.300 0.080 0.000 1.347 46 I CB -2.144 35.948 38.000 0.153 0.000 1.473 46 I HN 0.169 8.437 8.210 0.097 0.000 0.595 47 G N 6.791 115.615 108.800 0.040 0.000 3.133 47 G HA2 -0.510 3.462 3.960 0.020 0.000 0.357 47 G HA3 -0.510 3.464 3.960 0.022 0.000 0.357 47 G C 0.783 175.699 174.900 0.026 0.000 1.229 47 G CA 1.548 46.664 45.100 0.027 0.000 1.018 47 G HN -0.118 8.192 8.290 0.032 0.000 0.635 48 G N 4.399 113.213 108.800 0.022 0.000 2.988 48 G HA2 -0.284 3.677 3.960 0.002 0.000 0.204 48 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.204 48 G C -0.755 174.156 174.900 0.018 0.000 1.378 48 G CA 0.762 45.867 45.100 0.010 0.000 0.781 48 G HN -0.141 8.162 8.290 0.022 0.000 0.738 49 E N -0.160 120.056 120.200 0.027 0.000 2.336 49 E HA 0.322 4.690 4.350 0.029 0.000 0.267 49 E C -2.749 173.900 176.600 0.081 0.000 0.906 49 E CA -3.392 53.031 56.400 0.037 0.000 0.781 49 E CB 0.598 30.309 29.700 0.018 0.000 1.261 49 E HN -0.104 8.271 8.360 0.025 0.000 0.436 50 P HA -0.210 4.246 4.420 0.060 0.000 0.247 50 P C -1.994 175.400 177.300 0.157 0.000 1.141 50 P CA 1.444 64.591 63.100 0.078 0.000 0.858 50 P CB -0.839 30.890 31.700 0.048 0.000 0.804 51 Y N 4.140 124.431 120.300 -0.014 0.000 2.732 51 Y HA 0.180 4.720 4.550 -0.016 0.000 0.342 51 Y C -2.844 173.044 175.900 -0.019 0.000 1.203 51 Y CA -1.020 57.070 58.100 -0.016 0.000 1.092 51 Y CB 3.644 42.096 38.460 -0.013 0.000 1.345 51 Y HN -0.028 8.330 8.280 0.130 0.000 0.458 52 T N 1.106 114.942 114.554 -1.197 0.000 2.909 52 T HA 0.273 4.414 4.350 -0.349 0.000 0.299 52 T C -1.487 172.599 174.700 -1.023 0.000 1.073 52 T CA -2.034 59.603 62.100 -0.771 0.000 0.999 52 T CB 1.781 70.395 68.868 -0.423 0.000 1.098 52 T HN -0.025 7.039 8.240 -1.961 0.000 0.477 53 L N -0.851 120.198 121.223 -0.291 0.000 2.490 53 L HA 0.452 4.861 4.340 0.116 0.000 0.245 53 L C 0.406 177.212 176.870 -0.106 0.000 1.185 53 L CA -1.229 53.584 54.840 -0.046 0.000 0.813 53 L CB 0.941 43.034 42.059 0.057 0.000 1.233 53 L HN -0.004 8.129 8.230 -0.162 0.000 0.489 54 G N -1.570 107.206 108.800 -0.041 0.000 2.428 54 G HA2 0.352 4.264 3.960 -0.080 0.000 0.320 54 G HA3 0.352 4.292 3.960 -0.033 0.000 0.320 54 G C -1.194 173.637 174.900 -0.115 0.000 1.098 54 G CA -0.631 44.431 45.100 -0.065 0.000 0.984 54 G HN -0.290 8.008 8.290 0.014 0.000 0.444 55 L N 3.802 124.919 121.223 -0.176 0.000 2.603 55 L HA 0.066 4.124 4.340 -0.471 0.000 0.173 55 L C 0.366 177.054 176.870 -0.304 0.000 1.087 55 L CA 0.503 55.110 54.840 -0.388 0.000 1.011 55 L CB 0.473 42.274 42.059 -0.431 0.000 1.695 55 L HN -0.168 7.983 8.230 -0.131 0.000 0.494 56 F N -5.547 114.407 119.950 0.007 0.000 2.457 56 F HA 0.046 4.534 4.527 -0.065 0.000 0.330 56 F C -1.282 174.464 175.800 -0.090 0.000 1.069 56 F CA -1.999 55.975 58.000 -0.044 0.000 1.009 56 F CB 1.663 40.648 39.000 -0.026 0.000 1.276 56 F HN -0.195 7.309 8.300 -1.328 0.000 0.492 57 D N -0.923 119.565 120.400 0.148 0.000 2.484 57 D HA 0.104 4.776 4.640 0.054 0.000 0.206 57 D C -1.717 174.552 176.300 -0.051 0.000 1.322 57 D CA 0.487 54.486 54.000 -0.001 0.000 0.913 57 D CB 1.480 42.184 40.800 -0.160 0.000 1.559 57 D HN 0.133 8.582 8.370 0.131 0.000 0.565 58 T N 1.794 116.340 114.554 -0.013 0.000 2.991 58 T HA 0.203 4.540 4.350 -0.021 0.000 0.303 58 T C -2.693 172.025 174.700 0.030 0.000 1.015 58 T CA -1.039 61.054 62.100 -0.012 0.000 1.007 58 T CB 1.988 70.832 68.868 -0.041 0.000 1.034 58 T HN -0.288 7.960 8.240 0.014 0.000 0.446 59 A N 3.314 126.174 122.820 0.067 0.000 2.547 59 A HA 0.101 4.450 4.320 0.049 0.000 0.300 59 A C -1.122 176.514 177.584 0.087 0.000 1.061 59 A CA 0.445 52.529 52.037 0.078 0.000 0.808 59 A CB 2.517 21.578 19.000 0.102 0.000 1.304 59 A HN 0.476 8.673 8.150 0.078 0.000 0.393 60 G N 2.941 111.770 108.800 0.049 0.000 3.003 60 G HA2 0.042 4.030 3.960 0.047 0.000 0.266 60 G HA3 0.042 4.016 3.960 0.023 0.000 0.266 60 G C -1.244 173.671 174.900 0.026 0.000 0.755 60 G CA 0.224 45.346 45.100 0.037 0.000 2.061 60 G HN 0.406 8.717 8.290 0.035 0.000 0.599 61 L N 0.875 122.117 121.223 0.032 0.000 2.271 61 L HA 0.305 4.638 4.340 -0.011 0.000 0.265 61 L C -0.116 176.726 176.870 -0.047 0.000 1.013 61 L CA -1.952 52.884 54.840 -0.008 0.000 0.820 61 L CB 2.583 44.636 42.059 -0.009 0.000 1.352 61 L HN -0.377 7.830 8.230 0.068 0.063 0.443 62 E N -1.638 118.519 120.200 -0.072 0.000 2.130 62 E HA -0.382 3.927 4.350 -0.068 0.000 0.196 62 E C 2.043 178.539 176.600 -0.174 0.000 0.998 62 E CA 2.868 59.211 56.400 -0.094 0.000 0.806 62 E CB 0.114 29.763 29.700 -0.084 0.000 0.738 62 E HN 0.297 8.620 8.360 -0.061 0.000 0.459 63 D N -1.611 118.616 120.400 -0.288 0.000 2.088 63 D HA -0.201 4.118 4.640 -0.535 0.000 0.191 63 D C 0.080 175.915 176.300 -0.774 0.000 0.992 63 D CA 2.293 55.893 54.000 -0.666 0.000 0.831 63 D CB 0.261 40.493 40.800 -0.947 0.000 0.973 63 D HN 0.057 8.279 8.370 -0.221 0.016 0.447 64 Y N -5.953 114.349 120.300 0.004 0.000 2.592 64 Y HA 0.195 4.744 4.550 -0.001 0.000 0.354 64 Y C -0.431 175.466 175.900 -0.004 0.000 1.063 64 Y CA -2.076 56.024 58.100 0.001 0.000 1.205 64 Y CB -0.365 38.097 38.460 0.003 0.000 1.106 64 Y HN -0.154 7.988 8.280 -0.231 0.000 0.649 65 D N -0.129 120.315 120.400 0.073 0.000 2.333 65 D HA -0.105 4.566 4.640 0.053 0.000 0.208 65 D C 0.598 176.923 176.300 0.042 0.000 0.984 65 D CA 1.074 55.101 54.000 0.045 0.000 0.873 65 D CB 0.249 41.055 40.800 0.010 0.000 0.935 65 D HN 0.224 8.611 8.370 0.029 0.000 0.521 66 R N -0.919 119.612 120.500 0.052 0.000 2.057 66 R HA -0.045 4.305 4.340 0.016 0.000 0.224 66 R C -0.359 175.957 176.300 0.026 0.000 1.136 66 R CA 0.257 56.375 56.100 0.031 0.000 0.968 66 R CB 0.146 30.462 30.300 0.026 0.000 0.863 66 R HN -0.064 8.208 8.270 0.071 0.041 0.433 67 L N -3.974 117.277 121.223 0.048 0.000 1.757 67 L HA -0.353 3.999 4.340 0.020 0.000 0.351 67 L C 0.474 177.338 176.870 -0.010 0.000 1.119 67 L CA 1.317 56.169 54.840 0.019 0.000 1.232 67 L CB 0.060 42.127 42.059 0.012 0.000 0.609 67 L HN -0.389 7.892 8.230 0.085 0.000 0.267 68 R N -3.929 116.559 120.500 -0.021 0.000 2.185 68 R HA -0.025 4.295 4.340 -0.032 0.000 0.029 68 R C -1.233 175.073 176.300 0.009 0.000 0.821 68 R CA 0.583 56.664 56.100 -0.031 0.000 3.402 68 R CB -1.555 28.700 30.300 -0.075 0.000 0.828 68 R HN 0.160 8.418 8.270 -0.020 0.000 0.566 69 P HA -0.287 4.226 4.420 0.155 0.000 0.219 69 P C 0.045 177.394 177.300 0.082 0.000 1.158 69 P CA 2.882 66.031 63.100 0.082 0.000 0.895 69 P CB -0.639 31.083 31.700 0.037 0.000 0.792 70 L N -7.443 113.778 121.223 -0.002 0.000 2.197 70 L HA -0.240 4.017 4.340 -0.138 0.000 0.215 70 L C 0.730 177.581 176.870 -0.032 0.000 1.095 70 L CA 2.033 56.830 54.840 -0.073 0.000 0.764 70 L CB -1.101 40.900 42.059 -0.098 0.000 0.897 70 L HN -0.249 7.965 8.230 -0.017 0.006 0.436 71 S N -2.898 112.823 115.700 0.035 0.000 2.475 71 S HA -0.055 4.396 4.470 -0.032 0.000 0.224 71 S C -0.225 174.521 174.600 0.243 0.000 1.042 71 S CA 1.095 59.319 58.200 0.041 0.000 0.935 71 S CB 1.376 64.540 63.200 -0.060 0.000 0.801 71 S HN 0.068 8.227 8.310 0.041 0.176 0.509 72 Y N 2.405 122.761 120.300 0.093 0.000 2.309 72 Y HA 0.097 4.723 4.550 0.125 0.000 0.327 72 Y C -1.794 174.230 175.900 0.206 0.000 1.172 72 Y CA -1.491 56.684 58.100 0.126 0.000 1.280 72 Y CB 0.864 39.374 38.460 0.083 0.000 1.234 72 Y HN -0.753 7.616 8.280 0.315 0.100 0.512 73 P HA 0.030 4.534 4.420 0.141 0.000 0.273 73 P C -1.787 175.573 177.300 0.100 0.000 1.319 73 P CA 0.197 63.313 63.100 0.028 0.000 0.885 73 P CB -0.367 31.232 31.700 -0.169 0.000 1.015 74 Q N 3.310 123.260 119.800 0.249 0.000 2.385 74 Q HA -0.061 4.370 4.340 0.151 0.000 0.195 74 Q C 0.586 176.688 176.000 0.169 0.000 0.977 74 Q CA 0.734 56.654 55.803 0.195 0.000 0.856 74 Q CB 0.228 29.084 28.738 0.196 0.000 0.986 74 Q HN 0.421 8.945 8.270 0.424 0.000 0.558 75 T N 0.424 115.128 114.554 0.249 0.000 2.900 75 T HA 0.057 4.481 4.350 0.124 0.000 0.326 75 T C -0.346 174.444 174.700 0.150 0.000 1.145 75 T CA -0.870 61.345 62.100 0.191 0.000 0.963 75 T CB 0.590 69.584 68.868 0.211 0.000 1.512 75 T HN -0.105 8.354 8.240 0.365 0.000 0.552 76 D N -1.785 118.685 120.400 0.118 0.000 2.503 76 D HA 0.149 4.788 4.640 -0.002 0.000 0.218 76 D C -1.220 175.127 176.300 0.078 0.000 1.183 76 D CA -0.750 53.280 54.000 0.050 0.000 0.827 76 D CB 0.527 41.338 40.800 0.019 0.000 1.034 76 D HN 0.292 8.735 8.370 0.121 0.000 0.510 77 V N 0.984 121.008 119.914 0.184 0.000 2.516 77 V HA 0.142 4.352 4.120 0.149 0.000 0.271 77 V C -1.794 174.525 176.094 0.376 0.000 0.992 77 V CA -0.868 61.549 62.300 0.196 0.000 0.857 77 V CB 0.097 31.975 31.823 0.092 0.000 1.047 77 V HN -0.866 7.471 8.190 0.245 0.000 0.455 78 F N 5.593 125.616 119.950 0.122 0.000 2.284 78 F HA 0.236 4.844 4.527 0.135 0.000 0.297 78 F C -0.159 175.760 175.800 0.198 0.000 1.215 78 F CA -1.397 56.697 58.000 0.156 0.000 1.120 78 F CB 1.851 40.950 39.000 0.165 0.000 1.426 78 F HN 0.861 9.351 8.300 0.465 0.088 0.514 79 L N -0.041 121.374 121.223 0.320 0.000 2.504 79 L HA 0.332 4.874 4.340 0.337 0.000 0.265 79 L C -2.512 174.498 176.870 0.233 0.000 0.975 79 L CA -0.641 54.365 54.840 0.276 0.000 0.864 79 L CB 3.312 45.509 42.059 0.230 0.000 1.212 79 L HN 0.039 8.389 8.230 0.200 0.000 0.416 80 V N 1.693 121.789 119.914 0.303 0.000 2.483 80 V HA 0.898 5.340 4.120 0.188 -0.210 0.295 80 V C -1.341 174.943 176.094 0.317 0.000 1.035 80 V CA -2.555 59.891 62.300 0.243 0.000 0.896 80 V CB 1.977 33.846 31.823 0.077 0.000 0.986 80 V HN -0.374 8.072 8.190 0.425 0.000 0.447 81 C N 3.576 123.067 119.300 0.319 0.000 3.213 81 C HA 0.379 5.010 4.460 0.285 0.000 0.319 81 C C -1.864 173.360 174.990 0.391 0.000 1.386 81 C CA -1.187 58.001 59.018 0.284 0.000 1.494 81 C CB 4.692 32.526 27.740 0.157 0.000 1.905 81 C HN 0.556 8.977 8.230 0.317 0.000 0.456 82 F N -1.597 118.451 119.950 0.164 0.000 2.669 82 F HA 0.237 4.825 4.527 0.102 0.000 0.315 82 F C -2.618 173.210 175.800 0.047 0.000 1.109 82 F CA -0.265 57.800 58.000 0.109 0.000 1.028 82 F CB 1.947 41.030 39.000 0.139 0.000 1.287 82 F HN 0.320 8.541 8.300 -0.132 0.000 0.452 83 S N 3.109 118.879 115.700 0.116 0.000 2.545 83 S HA 0.185 4.584 4.470 -0.119 0.000 0.275 83 S C 0.321 174.958 174.600 0.062 0.000 1.299 83 S CA -1.309 56.893 58.200 0.003 0.000 1.048 83 S CB 1.465 64.687 63.200 0.037 0.000 0.938 83 S HN -0.101 8.329 8.310 0.201 0.000 0.496 84 V N 2.055 121.941 119.914 -0.046 0.000 2.220 84 V HA -0.220 3.880 4.120 -0.034 0.000 0.250 84 V C 0.911 176.990 176.094 -0.026 0.000 1.056 84 V CA 2.125 64.400 62.300 -0.041 0.000 1.016 84 V CB 0.082 31.871 31.823 -0.058 0.000 0.639 84 V HN 0.184 8.314 8.190 -0.101 0.000 0.446 85 V N -6.264 113.643 119.914 -0.011 0.000 2.539 85 V HA -0.228 3.885 4.120 -0.011 0.000 0.294 85 V C -1.584 174.514 176.094 0.007 0.000 0.994 85 V CA 1.183 63.481 62.300 -0.003 0.000 1.169 85 V CB -1.372 30.455 31.823 0.007 0.000 0.898 85 V HN -0.195 7.988 8.190 -0.012 0.000 0.471 86 S N 4.925 120.623 115.700 -0.003 0.000 2.536 86 S HA 0.319 4.797 4.470 0.014 0.000 0.271 86 S C -1.850 172.754 174.600 0.005 0.000 1.134 86 S CA -2.285 55.919 58.200 0.007 0.000 0.897 86 S CB 3.033 66.241 63.200 0.013 0.000 1.094 86 S HN -0.177 8.126 8.310 -0.012 0.000 0.473 87 P HA 0.286 4.707 4.420 0.001 0.000 0.211 87 P C -0.854 176.445 177.300 -0.002 0.000 1.833 87 P CA -0.708 62.392 63.100 0.000 0.000 0.938 87 P CB -1.506 30.193 31.700 -0.002 0.000 1.808 88 S N -1.676 114.029 115.700 0.007 0.000 3.482 88 S HA -0.391 4.091 4.470 0.019 0.000 0.294 88 S C -0.211 174.380 174.600 -0.015 0.000 1.244 88 S CA 1.696 59.898 58.200 0.003 0.000 0.911 88 S CB -1.232 61.963 63.200 -0.007 0.000 1.070 88 S HN -0.047 8.193 8.310 0.015 0.079 0.614 89 S N -1.677 114.016 115.700 -0.012 0.000 2.503 89 S HA 0.068 4.487 4.470 -0.084 0.000 0.215 89 S C 1.244 175.796 174.600 -0.079 0.000 1.003 89 S CA 0.259 58.423 58.200 -0.061 0.000 0.910 89 S CB 0.753 63.914 63.200 -0.065 0.000 0.790 89 S HN -0.305 7.972 8.310 0.007 0.038 0.514 90 F N 4.513 124.331 119.950 -0.220 0.000 2.008 90 F HA -0.530 3.747 4.527 -0.417 0.000 0.297 90 F C 0.828 176.414 175.800 -0.357 0.000 1.156 90 F CA 3.638 61.435 58.000 -0.338 0.000 1.191 90 F CB -0.210 38.606 39.000 -0.305 0.000 0.955 90 F HN -0.810 7.562 8.300 0.121 0.000 0.497 91 E N -2.404 117.527 120.200 -0.450 0.000 2.171 91 E HA -0.505 3.384 4.350 -0.769 0.000 0.197 91 E C 2.217 178.600 176.600 -0.363 0.000 0.997 91 E CA 3.010 59.105 56.400 -0.508 0.000 0.810 91 E CB -1.270 28.255 29.700 -0.292 0.000 0.738 91 E HN 0.453 8.711 8.360 -0.170 0.000 0.467 92 N N 0.101 118.639 118.700 -0.271 0.000 2.062 92 N HA -0.231 4.400 4.740 -0.182 0.000 0.191 92 N C 2.307 177.622 175.510 -0.326 0.000 1.042 92 N CA 2.773 55.685 53.050 -0.229 0.000 0.845 92 N CB 0.271 38.658 38.487 -0.168 0.000 1.024 92 N HN -0.594 7.539 8.380 -0.223 0.114 0.424 93 V N 1.524 121.155 119.914 -0.471 0.000 2.343 93 V HA -0.420 3.114 4.120 -0.976 0.000 0.247 93 V C 1.552 177.167 176.094 -0.797 0.000 1.051 93 V CA 3.098 64.873 62.300 -0.874 0.000 1.036 93 V CB 0.061 31.279 31.823 -1.008 0.000 0.654 93 V HN 0.591 8.425 8.190 -0.391 0.121 0.451 94 K N -0.897 119.145 120.400 -0.597 0.000 1.965 94 K HA -0.384 3.724 4.320 -0.354 0.000 0.220 94 K C 2.424 178.898 176.600 -0.210 0.000 1.046 94 K CA 2.943 58.967 56.287 -0.438 0.000 0.974 94 K CB -1.068 31.037 32.500 -0.659 0.000 0.738 94 K HN 0.296 8.177 8.250 -0.614 0.000 0.444 95 E N -2.223 117.844 120.200 -0.221 0.000 2.273 95 E HA -0.246 4.061 4.350 -0.072 0.000 0.198 95 E C 2.096 178.686 176.600 -0.015 0.000 1.002 95 E CA 2.385 58.722 56.400 -0.104 0.000 0.828 95 E CB -0.538 29.091 29.700 -0.119 0.000 0.747 95 E HN -0.689 7.482 8.360 -0.316 0.000 0.491 96 K N -1.571 118.819 120.400 -0.017 0.000 2.305 96 K HA -0.052 4.339 4.320 0.118 0.000 0.199 96 K C 1.334 178.206 176.600 0.454 0.000 1.047 96 K CA 2.134 58.504 56.287 0.138 0.000 0.976 96 K CB 0.384 32.916 32.500 0.053 0.000 0.765 96 K HN -0.361 7.664 8.250 -0.139 0.141 0.474 97 W N -0.604 120.655 121.300 -0.068 0.000 2.501 97 W HA -0.241 4.400 4.660 -0.032 0.000 0.309 97 W C 1.774 178.240 176.519 -0.088 0.000 1.165 97 W CA 1.762 59.062 57.345 -0.075 0.000 1.381 97 W CB 1.255 30.641 29.460 -0.124 0.000 1.142 97 W HN 0.053 8.133 8.180 0.246 0.248 0.509 98 V N -0.552 119.446 119.914 0.140 0.000 2.277 98 V HA -0.536 3.566 4.120 -0.029 0.000 0.253 98 V C -0.773 175.366 176.094 0.075 0.000 1.067 98 V CA 6.247 68.580 62.300 0.055 0.000 1.047 98 V CB -2.723 29.149 31.823 0.082 0.000 0.649 98 V HN -0.130 8.148 8.190 0.148 0.000 0.447 99 P HA 0.033 4.478 4.420 0.043 0.000 0.217 99 P C 1.736 179.098 177.300 0.104 0.000 1.151 99 P CA 2.425 65.569 63.100 0.073 0.000 0.828 99 P CB -0.071 31.672 31.700 0.071 0.000 0.788 100 E N -1.661 118.616 120.200 0.128 0.000 2.112 100 E HA -0.168 4.298 4.350 0.194 0.000 0.190 100 E C 2.266 178.938 176.600 0.119 0.000 0.979 100 E CA 2.143 58.628 56.400 0.141 0.000 0.814 100 E CB -0.742 29.003 29.700 0.075 0.000 0.762 100 E HN -0.444 7.907 8.360 0.147 0.097 0.460 101 I N -2.098 118.487 120.570 0.025 0.000 2.493 101 I HA -0.397 3.786 4.170 0.022 0.000 0.254 101 I C 1.336 177.464 176.117 0.019 0.000 1.160 101 I CA 3.881 65.184 61.300 0.005 0.000 1.445 101 I CB -0.291 37.672 38.000 -0.062 0.000 1.086 101 I HN 0.704 8.809 8.210 0.012 0.113 0.433 102 T N -2.660 111.920 114.554 0.043 0.000 3.044 102 T HA 0.035 4.574 4.350 -0.019 -0.200 0.255 102 T C 1.362 176.084 174.700 0.038 0.000 1.073 102 T CA 1.765 63.876 62.100 0.018 0.000 1.125 102 T CB -0.051 68.827 68.868 0.017 0.000 0.908 102 T HN -0.661 7.481 8.240 0.060 0.134 0.480 103 H N 3.421 122.461 119.070 -0.050 0.000 2.256 103 H HA -0.208 4.285 4.556 -0.105 0.000 0.301 103 H C 1.952 177.194 175.328 -0.143 0.000 1.062 103 H CA 3.033 59.010 56.048 -0.119 0.000 1.283 103 H CB 0.062 29.715 29.762 -0.182 0.000 1.379 103 H HN -0.503 7.767 8.280 0.153 0.102 0.493 104 H N -2.546 116.568 119.070 0.074 0.000 2.422 104 H HA -0.217 4.314 4.556 -0.041 0.000 0.298 104 H C -0.497 174.801 175.328 -0.049 0.000 1.098 104 H CA 3.336 59.376 56.048 -0.015 0.000 1.315 104 H CB 0.605 30.360 29.762 -0.011 0.000 1.382 104 H HN -0.432 7.904 8.280 0.095 0.000 0.523 105 C N -1.747 117.581 119.300 0.046 0.000 2.386 105 C HA 0.265 4.645 4.460 -0.133 0.000 0.318 105 C C -2.127 172.790 174.990 -0.121 0.000 1.128 105 C CA -4.461 54.493 59.018 -0.106 0.000 1.438 105 C CB 1.498 29.082 27.740 -0.259 0.000 1.987 105 C HN -0.687 7.576 8.230 0.083 0.017 0.426 106 P HA -0.074 4.449 4.420 -0.063 -0.141 0.264 106 P C -0.447 176.793 177.300 -0.100 0.000 1.236 106 P CA 0.221 63.270 63.100 -0.085 0.000 0.811 106 P CB -0.432 31.222 31.700 -0.076 0.000 0.840 107 K N 3.555 123.905 120.400 -0.084 0.000 5.379 107 K HA -0.275 4.017 4.320 -0.047 0.000 0.486 107 K C -1.633 174.887 176.600 -0.134 0.000 1.185 107 K CA 0.781 57.020 56.287 -0.079 0.000 1.355 107 K CB -1.100 31.361 32.500 -0.066 0.000 1.722 107 K HN 0.181 8.393 8.250 -0.064 0.000 0.399 108 T N 2.420 116.884 114.554 -0.149 0.000 2.963 108 T HA 0.392 4.569 4.350 -0.289 0.000 0.328 108 T C -2.433 172.248 174.700 -0.032 0.000 1.048 108 T CA -2.860 59.069 62.100 -0.287 0.000 1.033 108 T CB 0.734 69.134 68.868 -0.779 0.000 1.010 108 T HN -0.055 8.142 8.240 -0.072 0.000 0.469 109 P HA -0.034 4.288 4.420 -0.164 0.000 0.269 109 P C -1.674 175.739 177.300 0.188 0.000 1.217 109 P CA 0.067 63.152 63.100 -0.024 0.000 0.783 109 P CB 0.551 32.212 31.700 -0.066 0.000 0.898 110 F N -5.901 114.117 119.950 0.113 0.000 2.923 110 F HA 0.513 5.331 4.527 0.196 -0.174 0.323 110 F C -2.147 173.738 175.800 0.142 0.000 1.189 110 F CA -2.422 55.678 58.000 0.166 0.000 0.930 110 F CB 2.880 42.003 39.000 0.204 0.000 1.414 110 F HN -0.140 7.736 8.300 -0.707 0.000 0.496 111 L N -0.847 120.639 121.223 0.438 0.000 2.466 111 L HA 0.353 4.822 4.340 0.215 0.000 0.258 111 L C -2.069 175.042 176.870 0.400 0.000 0.973 111 L CA -1.425 53.596 54.840 0.301 0.000 0.826 111 L CB 4.325 46.485 42.059 0.169 0.000 1.372 111 L HN -0.008 8.552 8.230 0.551 0.000 0.409 112 L N 1.634 123.089 121.223 0.386 0.000 2.399 112 L HA 0.371 5.128 4.340 0.445 -0.150 0.265 112 L C -0.115 176.970 176.870 0.360 0.000 1.089 112 L CA -1.258 53.849 54.840 0.445 0.000 0.802 112 L CB 1.084 43.468 42.059 0.542 0.000 1.180 112 L HN -0.074 8.354 8.230 0.330 0.000 0.454 113 V N -2.013 118.089 119.914 0.313 0.000 3.049 113 V HA 0.173 4.278 4.120 -0.025 0.000 0.309 113 V C -0.902 175.235 176.094 0.073 0.000 1.148 113 V CA -1.166 61.194 62.300 0.100 0.000 0.990 113 V CB 4.491 36.361 31.823 0.078 0.000 1.039 113 V HN -0.075 8.279 8.190 0.273 0.000 0.430 114 G N 2.847 111.548 108.800 -0.165 0.000 2.744 114 G HA2 0.523 4.522 3.960 0.064 0.000 0.309 114 G HA3 0.523 4.380 3.960 -0.171 0.000 0.309 114 G C -1.522 173.313 174.900 -0.109 0.000 1.328 114 G CA -0.319 44.739 45.100 -0.070 0.000 1.034 114 G HN -0.012 8.100 8.290 -0.298 0.000 0.518 115 T N 1.539 116.037 114.554 -0.094 0.000 3.043 115 T HA 0.225 4.657 4.350 -0.101 -0.142 0.272 115 T C 0.420 175.059 174.700 -0.101 0.000 0.990 115 T CA -0.379 61.661 62.100 -0.100 0.000 0.897 115 T CB 1.043 69.853 68.868 -0.096 0.000 1.111 115 T HN 0.257 8.434 8.240 -0.105 0.000 0.529 116 Q N 1.121 120.871 119.800 -0.084 0.000 2.179 116 Q HA 0.059 4.355 4.340 -0.072 0.000 0.213 116 Q C 0.526 176.499 176.000 -0.045 0.000 0.833 116 Q CA -0.132 55.632 55.803 -0.066 0.000 0.990 116 Q CB -0.518 28.186 28.738 -0.057 0.000 1.132 116 Q HN -0.255 7.963 8.270 -0.087 0.000 0.493 117 I N -2.932 117.616 120.570 -0.036 0.000 2.850 117 I HA -0.348 3.822 4.170 -0.000 0.000 0.266 117 I C 0.071 176.176 176.117 -0.019 0.000 1.257 117 I CA 2.425 63.719 61.300 -0.011 0.000 1.465 117 I CB -1.214 36.789 38.000 0.006 0.000 1.091 117 I HN -0.437 7.674 8.210 -0.045 0.072 0.467 118 D N 0.244 120.623 120.400 -0.034 0.000 2.162 118 D HA -0.100 4.525 4.640 -0.025 0.000 0.205 118 D C 1.511 177.798 176.300 -0.022 0.000 0.964 118 D CA 2.560 56.541 54.000 -0.032 0.000 0.847 118 D CB 0.887 41.657 40.800 -0.050 0.000 0.988 118 D HN -0.005 8.263 8.370 -0.048 0.073 0.480 119 L N -5.377 115.833 121.223 -0.022 0.000 2.607 119 L HA 0.395 4.731 4.340 -0.007 0.000 0.228 119 L C 1.503 178.368 176.870 -0.008 0.000 1.123 119 L CA 0.501 55.335 54.840 -0.010 0.000 0.890 119 L CB -0.191 41.866 42.059 -0.003 0.000 1.103 119 L HN -0.826 7.385 8.230 -0.030 0.000 0.468 120 R N -0.774 119.719 120.500 -0.012 0.000 2.170 120 R HA -0.332 4.000 4.340 -0.013 0.000 0.242 120 R C -0.032 176.265 176.300 -0.006 0.000 1.145 120 R CA 2.780 58.874 56.100 -0.011 0.000 0.984 120 R CB -0.935 29.358 30.300 -0.011 0.000 0.869 120 R HN -0.643 7.560 8.270 -0.015 0.058 0.455 121 D N -2.772 117.626 120.400 -0.003 0.000 2.289 121 D HA 0.021 4.661 4.640 0.000 0.000 0.207 121 D C 0.188 176.488 176.300 0.000 0.000 0.966 121 D CA 1.498 55.498 54.000 -0.001 0.000 0.868 121 D CB -0.235 40.565 40.800 0.000 0.000 0.943 121 D HN -0.209 8.124 8.370 -0.004 0.034 0.514 122 D N 1.295 121.695 120.400 0.000 0.000 2.433 122 D HA 0.028 4.670 4.640 0.003 0.000 0.274 122 D C -0.811 175.490 176.300 0.003 0.000 1.344 122 D CA -0.999 53.003 54.000 0.003 0.000 0.989 122 D CB 0.360 41.163 40.800 0.005 0.000 1.116 122 D HN -0.414 7.776 8.370 -0.001 0.180 0.533 123 P HA -0.052 4.370 4.420 0.002 0.000 0.239 123 P C 0.416 177.718 177.300 0.003 0.000 1.184 123 P CA 0.943 64.045 63.100 0.003 0.000 0.760 123 P CB 0.181 31.882 31.700 0.003 0.000 0.884 124 S N -0.859 114.843 115.700 0.005 0.000 2.325 124 S HA -0.281 4.192 4.470 0.005 0.000 0.213 124 S C 1.261 175.864 174.600 0.005 0.000 1.031 124 S CA 3.540 61.743 58.200 0.005 0.000 0.984 124 S CB -0.376 62.828 63.200 0.007 0.000 0.939 124 S HN -0.506 7.721 8.310 0.005 0.086 0.438 125 T N 4.856 119.414 114.554 0.006 0.000 2.720 125 T HA -0.326 4.028 4.350 0.006 0.000 0.268 125 T C 2.041 176.743 174.700 0.003 0.000 1.037 125 T CA 4.682 66.786 62.100 0.006 0.000 1.144 125 T CB -0.164 68.709 68.868 0.008 0.000 0.864 125 T HN -0.266 7.979 8.240 0.007 0.000 0.444 126 I N 0.221 120.792 120.570 0.002 0.000 2.315 126 I HA -0.517 3.653 4.170 -0.001 0.000 0.251 126 I C 1.375 177.493 176.117 0.001 0.000 1.125 126 I CA 4.235 65.535 61.300 0.000 0.000 1.392 126 I CB -0.042 37.958 38.000 -0.000 0.000 1.065 126 I HN -0.470 7.739 8.210 0.003 0.003 0.424 127 E N -2.027 118.174 120.200 0.002 0.000 2.107 127 E HA -0.295 4.056 4.350 0.002 0.000 0.191 127 E C 2.236 178.837 176.600 0.002 0.000 0.982 127 E CA 3.095 59.496 56.400 0.002 0.000 0.809 127 E CB -0.459 29.242 29.700 0.002 0.000 0.756 127 E HN -0.361 7.857 8.360 0.002 0.143 0.459 128 K N -0.463 119.939 120.400 0.002 0.000 2.148 128 K HA -0.208 4.113 4.320 0.002 0.000 0.204 128 K C 2.969 179.570 176.600 0.001 0.000 1.050 128 K CA 2.492 58.780 56.287 0.002 0.000 0.942 128 K CB -0.347 32.154 32.500 0.003 0.000 0.724 128 K HN -0.217 7.898 8.250 0.003 0.138 0.446 129 L N -0.374 120.850 121.223 0.001 0.000 2.046 129 L HA -0.359 3.981 4.340 0.001 0.000 0.208 129 L C 1.588 178.458 176.870 0.001 0.000 1.077 129 L CA 2.935 57.775 54.840 0.001 0.000 0.747 129 L CB -0.956 41.103 42.059 -0.000 0.000 0.896 129 L HN 0.361 8.373 8.230 0.002 0.218 0.432 130 A N -0.846 121.974 122.820 0.001 0.000 1.971 130 A HA -0.333 4.138 4.320 0.001 -0.150 0.222 130 A C 1.498 179.082 177.584 0.000 0.000 1.182 130 A CA 2.852 54.889 52.037 0.001 0.000 0.649 130 A CB -0.930 18.071 19.000 0.001 0.000 0.818 130 A HN -0.123 7.934 8.150 0.001 0.094 0.458 131 K N -2.745 117.655 120.400 -0.000 0.000 2.211 131 K HA -0.225 4.095 4.320 -0.001 0.000 0.204 131 K C 1.250 177.849 176.600 -0.002 0.000 1.047 131 K CA 1.781 58.068 56.287 -0.001 0.000 0.935 131 K CB 0.088 32.588 32.500 -0.001 0.000 0.728 131 K HN -0.445 7.672 8.250 0.000 0.133 0.452 132 N N -5.277 113.422 118.700 -0.002 0.000 2.419 132 N HA 0.043 4.780 4.740 -0.004 0.000 0.216 132 N C -0.010 175.499 175.510 -0.002 0.000 1.118 132 N CA 1.047 54.095 53.050 -0.003 0.000 0.850 132 N CB 3.231 41.716 38.487 -0.005 0.000 1.292 132 N HN 0.107 8.322 8.380 -0.001 0.164 0.467 133 K N -0.571 119.829 120.400 0.000 0.000 2.774 133 K HA 0.167 4.488 4.320 0.002 0.000 0.242 133 K C -0.804 175.798 176.600 0.003 0.000 1.832 133 K CA 0.419 56.708 56.287 0.003 0.000 1.017 133 K CB 2.533 35.038 32.500 0.008 0.000 2.161 133 K HN 0.111 8.225 8.250 0.000 0.136 0.378 134 Q N -5.548 114.254 119.800 0.003 0.000 7.842 134 Q HA -0.180 4.372 4.340 0.000 -0.212 0.365 134 Q C -1.816 174.184 176.000 0.000 0.000 1.012 134 Q CA 0.876 56.680 55.803 0.001 0.000 0.539 134 Q CB -1.262 27.477 28.738 0.002 0.000 0.172 134 Q HN -0.038 8.233 8.270 0.003 0.000 0.896 135 K N 3.359 123.761 120.400 0.004 0.000 2.382 135 K HA 0.230 4.551 4.320 0.002 0.000 0.286 135 K C -1.781 174.813 176.600 -0.010 0.000 1.062 135 K CA -2.185 54.104 56.287 0.003 0.000 1.000 135 K CB 0.084 32.592 32.500 0.014 0.000 0.954 135 K HN 0.011 8.195 8.250 0.007 0.070 0.470 136 P HA 0.052 4.441 4.420 -0.052 0.000 0.278 136 P C -1.274 175.983 177.300 -0.071 0.000 1.238 136 P CA -1.113 61.961 63.100 -0.042 0.000 0.794 136 P CB 1.060 32.744 31.700 -0.026 0.000 0.955 137 I N 1.068 121.551 120.570 -0.145 0.000 2.372 137 I HA -0.082 3.973 4.170 -0.193 0.000 0.298 137 I C 0.052 176.112 176.117 -0.095 0.000 1.137 137 I CA -2.174 58.995 61.300 -0.219 0.000 1.314 137 I CB -2.951 34.755 38.000 -0.489 0.000 1.444 137 I HN -0.070 8.051 8.210 -0.148 0.000 0.541 138 T N 6.347 120.876 114.554 -0.042 0.000 2.926 138 T HA 0.167 4.524 4.350 0.011 0.000 0.307 138 T C 0.006 174.715 174.700 0.015 0.000 1.059 138 T CA -1.953 60.149 62.100 0.003 0.000 1.122 138 T CB 0.496 69.376 68.868 0.019 0.000 0.972 138 T HN -0.423 7.797 8.240 -0.033 0.000 0.545 139 P HA -0.263 4.438 4.420 0.469 0.000 0.218 139 P C 0.662 178.068 177.300 0.176 0.000 1.146 139 P CA 2.318 65.595 63.100 0.295 0.000 0.820 139 P CB 0.039 31.919 31.700 0.299 0.000 0.778 140 E N -4.096 116.158 120.200 0.091 0.000 2.158 140 E HA -0.297 4.118 4.350 0.108 0.000 0.191 140 E C 1.793 178.410 176.600 0.028 0.000 0.982 140 E CA 2.803 59.246 56.400 0.072 0.000 0.823 140 E CB -0.393 29.345 29.700 0.063 0.000 0.766 140 E HN -0.414 7.947 8.360 0.079 0.046 0.468 141 T N 3.020 117.580 114.554 0.010 0.000 2.643 141 T HA -0.369 4.026 4.350 0.075 0.000 0.264 141 T C 1.300 176.038 174.700 0.063 0.000 1.045 141 T CA 4.586 66.721 62.100 0.059 0.000 1.155 141 T CB -0.481 68.440 68.868 0.088 0.000 0.863 141 T HN 0.150 8.269 8.240 0.005 0.124 0.420 142 A N 0.249 123.020 122.820 -0.081 0.000 1.917 142 A HA -0.366 4.179 4.320 0.375 0.000 0.219 142 A C 1.736 179.238 177.584 -0.138 0.000 1.182 142 A CA 3.116 55.081 52.037 -0.121 0.000 0.633 142 A CB -0.921 17.510 19.000 -0.948 0.000 0.819 142 A HN -0.508 7.530 8.150 -0.187 0.000 0.448 143 E N -1.777 118.308 120.200 -0.191 0.000 2.085 143 E HA -0.400 4.070 4.350 0.200 0.000 0.194 143 E C 2.116 178.771 176.600 0.092 0.000 0.994 143 E CA 3.329 59.785 56.400 0.092 0.000 0.801 143 E CB -0.274 29.534 29.700 0.179 0.000 0.743 143 E HN -0.555 7.604 8.360 -0.327 0.005 0.453 144 K N -0.693 119.746 120.400 0.065 0.000 1.978 144 K HA -0.326 4.029 4.320 0.058 0.000 0.214 144 K C 2.628 179.264 176.600 0.061 0.000 1.049 144 K CA 3.257 59.579 56.287 0.059 0.000 0.939 144 K CB -0.096 32.432 32.500 0.047 0.000 0.721 144 K HN -0.714 7.480 8.250 0.047 0.084 0.441 145 L N -2.015 119.244 121.223 0.060 0.000 2.083 145 L HA -0.309 4.037 4.340 0.011 0.000 0.209 145 L C 1.528 178.471 176.870 0.121 0.000 1.083 145 L CA 2.526 57.392 54.840 0.042 0.000 0.752 145 L CB -0.032 41.999 42.059 -0.046 0.000 0.899 145 L HN -0.629 7.644 8.230 0.071 0.000 0.433 146 A N -0.941 121.982 122.820 0.172 0.000 1.849 146 A HA -0.447 4.071 4.320 0.330 0.000 0.217 146 A C 2.172 179.846 177.584 0.150 0.000 1.202 146 A CA 3.210 55.386 52.037 0.232 0.000 0.629 146 A CB -1.000 18.152 19.000 0.254 0.000 0.834 146 A HN 0.530 8.581 8.150 0.154 0.192 0.447 147 R N -2.744 117.819 120.500 0.105 0.000 2.189 147 R HA -0.282 4.079 4.340 0.036 0.000 0.223 147 R C 2.805 179.132 176.300 0.045 0.000 1.092 147 R CA 2.830 58.964 56.100 0.058 0.000 0.989 147 R CB -0.312 30.020 30.300 0.053 0.000 0.876 147 R HN -0.310 8.028 8.270 0.113 0.000 0.457 148 D N 1.739 122.175 120.400 0.061 0.000 2.116 148 D HA -0.248 4.411 4.640 0.032 0.000 0.193 148 D C 0.966 177.299 176.300 0.056 0.000 0.998 148 D CA 2.980 57.009 54.000 0.048 0.000 0.836 148 D CB -0.111 40.713 40.800 0.041 0.000 0.951 148 D HN -0.471 7.793 8.370 0.076 0.151 0.449 149 L N -3.338 117.944 121.223 0.099 0.000 2.653 149 L HA 0.179 4.574 4.340 0.091 0.000 0.232 149 L C -1.184 175.675 176.870 -0.019 0.000 1.169 149 L CA -0.643 54.265 54.840 0.113 0.000 0.951 149 L CB -1.091 41.182 42.059 0.357 0.000 1.181 149 L HN -0.717 7.594 8.230 0.134 0.000 0.460 150 K N -4.721 115.657 120.400 -0.037 0.000 3.278 150 K HA -0.422 3.914 4.320 -0.055 -0.049 0.270 150 K C -0.617 175.854 176.600 -0.214 0.000 0.955 150 K CA 1.055 57.290 56.287 -0.086 0.000 0.723 150 K CB -3.508 28.953 32.500 -0.064 0.000 1.382 150 K HN -0.025 7.990 8.250 0.003 0.237 0.461 151 A N -0.956 121.684 122.820 -0.301 0.000 1.858 151 A HA -0.123 3.668 4.320 -0.882 0.000 0.215 151 A C 0.064 177.492 177.584 -0.261 0.000 1.320 151 A CA 2.168 53.865 52.037 -0.567 0.000 0.601 151 A CB 1.360 19.978 19.000 -0.637 0.000 0.976 151 A HN -0.252 7.797 8.150 -0.168 0.000 0.470 152 V N -7.329 112.521 119.914 -0.107 0.000 5.494 152 V HA 0.031 4.120 4.120 -0.051 0.000 0.112 152 V C -1.777 174.330 176.094 0.023 0.000 1.167 152 V CA 0.933 63.211 62.300 -0.037 0.000 0.941 152 V CB 1.446 33.257 31.823 -0.020 0.000 1.211 152 V HN -0.411 7.744 8.190 -0.059 0.000 0.673 153 K N -2.025 118.420 120.400 0.074 0.000 2.636 153 K HA 0.084 4.481 4.320 0.128 0.000 0.268 153 K C -2.761 173.946 176.600 0.179 0.000 0.958 153 K CA 0.102 56.456 56.287 0.112 0.000 0.875 153 K CB 2.073 34.610 32.500 0.062 0.000 1.382 153 K HN -0.538 7.765 8.250 0.088 0.000 0.405 154 Y N 6.144 126.494 120.300 0.082 0.000 2.417 154 Y HA 0.133 4.948 4.550 0.095 -0.208 0.336 154 Y C -1.401 174.532 175.900 0.056 0.000 0.961 154 Y CA -0.920 57.233 58.100 0.088 0.000 1.215 154 Y CB 0.742 39.275 38.460 0.122 0.000 1.120 154 Y HN 0.200 8.655 8.280 0.291 0.000 0.499 155 V N 7.396 127.050 119.914 -0.433 0.000 2.834 155 V HA 0.224 4.156 4.120 -0.314 0.000 0.313 155 V C -1.109 174.604 176.094 -0.635 0.000 1.060 155 V CA -1.628 60.426 62.300 -0.410 0.000 0.989 155 V CB 2.194 33.913 31.823 -0.175 0.000 1.041 155 V HN -0.205 7.820 8.190 -0.274 0.000 0.459 156 E N 2.447 122.412 120.200 -0.391 0.000 2.156 156 E HA 0.095 4.202 4.350 -0.404 0.000 0.279 156 E C -1.151 175.348 176.600 -0.168 0.000 0.965 156 E CA 0.002 56.224 56.400 -0.297 0.000 0.789 156 E CB 0.653 30.255 29.700 -0.164 0.000 1.098 156 E HN 0.159 8.362 8.360 -0.261 0.000 0.397 157 C N 1.239 120.452 119.300 -0.144 0.000 3.259 157 C HA 0.230 4.646 4.460 -0.073 0.000 0.451 157 C C -1.850 173.087 174.990 -0.088 0.000 0.923 157 C CA -1.034 57.929 59.018 -0.091 0.000 1.168 157 C CB 1.952 29.648 27.740 -0.072 0.000 1.590 157 C HN 1.035 9.052 8.230 -0.167 0.113 0.644 158 S N 2.251 117.902 115.700 -0.083 0.000 2.704 158 S HA 0.403 4.803 4.470 -0.116 0.000 0.305 158 S C -0.638 173.892 174.600 -0.118 0.000 1.107 158 S CA -1.123 57.011 58.200 -0.111 0.000 0.993 158 S CB 2.412 65.539 63.200 -0.121 0.000 1.110 158 S HN 0.098 8.366 8.310 -0.070 0.000 0.534 159 A N 1.533 124.238 122.820 -0.190 0.000 2.014 159 A HA 0.085 4.348 4.320 -0.096 0.000 0.210 159 A C 0.845 178.277 177.584 -0.253 0.000 1.188 159 A CA 1.443 53.365 52.037 -0.192 0.000 0.731 159 A CB 0.027 18.903 19.000 -0.208 0.000 0.858 159 A HN 0.776 8.778 8.150 -0.246 0.000 0.464 160 L N -3.665 117.321 121.223 -0.394 0.000 2.081 160 L HA -0.386 3.727 4.340 -0.379 0.000 0.212 160 L C 1.924 178.711 176.870 -0.138 0.000 1.080 160 L CA 2.876 57.522 54.840 -0.324 0.000 0.754 160 L CB -0.263 41.618 42.059 -0.297 0.000 0.893 160 L HN -0.133 7.829 8.230 -0.447 0.000 0.433 161 T N -3.872 110.616 114.554 -0.110 0.000 2.975 161 T HA -0.139 4.184 4.350 -0.044 0.000 0.257 161 T C -1.015 173.662 174.700 -0.038 0.000 1.003 161 T CA -0.714 61.352 62.100 -0.058 0.000 0.932 161 T CB 0.220 69.060 68.868 -0.047 0.000 1.087 161 T HN -0.176 7.971 8.240 -0.133 0.013 0.512 162 Q N -1.741 118.032 119.800 -0.044 0.000 2.444 162 Q HA -0.318 4.181 4.340 -0.002 -0.160 0.343 162 Q C -1.114 174.893 176.000 0.012 0.000 1.458 162 Q CA 1.334 57.136 55.803 -0.001 0.000 0.903 162 Q CB -2.216 26.538 28.738 0.027 0.000 1.127 162 Q HN -0.288 7.829 8.270 -0.079 0.106 0.344 163 K N 1.468 121.862 120.400 -0.011 0.000 2.500 163 K HA 0.094 4.415 4.320 0.002 0.000 0.206 163 K C 0.011 176.608 176.600 -0.004 0.000 1.034 163 K CA -0.662 55.620 56.287 -0.009 0.000 1.179 163 K CB 0.352 32.834 32.500 -0.030 0.000 0.884 163 K HN -0.083 8.148 8.250 -0.031 0.000 0.493 164 G N -2.088 106.722 108.800 0.018 0.000 2.327 164 G HA2 -0.208 3.768 3.960 0.026 0.000 0.159 164 G HA3 -0.208 3.746 3.960 -0.009 0.000 0.159 164 G C -0.122 174.761 174.900 -0.028 0.000 1.056 164 G CA -0.373 44.729 45.100 0.003 0.000 0.751 164 G HN -0.047 8.170 8.290 0.041 0.097 0.488 165 L N -0.561 120.649 121.223 -0.022 0.000 2.137 165 L HA -0.434 3.885 4.340 -0.035 0.000 0.213 165 L C 0.842 177.690 176.870 -0.035 0.000 1.085 165 L CA 2.520 57.338 54.840 -0.037 0.000 0.760 165 L CB -0.299 41.733 42.059 -0.044 0.000 0.893 165 L HN 0.346 8.581 8.230 0.009 0.000 0.434 166 K N -3.796 116.544 120.400 -0.101 0.000 2.148 166 K HA -0.351 3.964 4.320 -0.008 0.000 0.204 166 K C 1.594 178.196 176.600 0.003 0.000 1.050 166 K CA 2.500 58.729 56.287 -0.096 0.000 0.942 166 K CB -1.100 31.183 32.500 -0.362 0.000 0.724 166 K HN -0.077 8.060 8.250 -0.137 0.030 0.446 167 N N 0.195 118.877 118.700 -0.030 0.000 2.000 167 N HA -0.379 4.347 4.740 -0.023 0.000 0.198 167 N C 1.837 177.358 175.510 0.018 0.000 1.057 167 N CA 3.666 56.707 53.050 -0.016 0.000 0.858 167 N CB 0.049 38.517 38.487 -0.032 0.000 1.057 167 N HN 0.055 8.249 8.380 -0.056 0.153 0.423 168 V N -0.385 119.540 119.914 0.018 0.000 2.324 168 V HA -0.482 3.636 4.120 -0.004 0.000 0.250 168 V C 1.269 177.437 176.094 0.123 0.000 1.060 168 V CA 3.587 65.909 62.300 0.036 0.000 1.042 168 V CB 0.044 31.872 31.823 0.009 0.000 0.650 168 V HN -0.801 7.384 8.190 -0.008 0.000 0.450 169 F N -0.330 119.612 119.950 -0.012 0.000 2.202 169 F HA -0.455 4.105 4.527 0.054 0.000 0.301 169 F C 1.346 177.148 175.800 0.003 0.000 1.082 169 F CA 3.456 61.467 58.000 0.018 0.000 1.313 169 F CB -0.214 38.796 39.000 0.017 0.000 1.024 169 F HN -0.625 7.835 8.300 0.274 0.004 0.495 170 D N -1.641 118.806 120.400 0.078 0.000 2.178 170 D HA -0.310 4.318 4.640 -0.021 0.000 0.201 170 D C 2.605 178.878 176.300 -0.045 0.000 0.980 170 D CA 4.163 58.160 54.000 -0.006 0.000 0.842 170 D CB -0.257 40.542 40.800 -0.001 0.000 0.948 170 D HN 0.523 8.727 8.370 0.120 0.237 0.472 171 E N -0.803 119.381 120.200 -0.027 0.000 2.152 171 E HA -0.164 4.170 4.350 -0.027 0.000 0.192 171 E C 1.878 178.447 176.600 -0.051 0.000 0.983 171 E CA 2.331 58.714 56.400 -0.027 0.000 0.818 171 E CB -0.496 29.203 29.700 -0.002 0.000 0.758 171 E HN -0.501 7.728 8.360 -0.000 0.130 0.467 172 A N -0.736 122.024 122.820 -0.099 0.000 1.898 172 A HA -0.172 4.115 4.320 -0.055 0.000 0.214 172 A C 2.259 179.722 177.584 -0.203 0.000 1.183 172 A CA 2.995 54.946 52.037 -0.143 0.000 0.622 172 A CB -0.201 18.668 19.000 -0.218 0.000 0.824 172 A HN -0.559 7.394 8.150 -0.098 0.138 0.444 173 I N -4.588 115.806 120.570 -0.295 0.000 2.500 173 I HA -0.332 3.701 4.170 -0.228 0.000 0.252 173 I C 1.075 177.124 176.117 -0.113 0.000 1.142 173 I CA 2.811 63.971 61.300 -0.232 0.000 1.451 173 I CB -0.126 37.724 38.000 -0.250 0.000 1.093 173 I HN 0.297 8.198 8.210 -0.339 0.106 0.430 174 L N 1.549 122.719 121.223 -0.088 0.000 2.013 174 L HA -0.415 3.900 4.340 -0.043 0.000 0.212 174 L C 1.162 178.007 176.870 -0.041 0.000 1.073 174 L CA 3.306 58.116 54.840 -0.051 0.000 0.753 174 L CB -0.648 41.387 42.059 -0.039 0.000 0.890 174 L HN 0.159 8.219 8.230 -0.103 0.109 0.432 175 A N -3.975 118.819 122.820 -0.043 0.000 2.076 175 A HA -0.213 4.217 4.320 -0.027 -0.126 0.220 175 A C 1.070 178.639 177.584 -0.024 0.000 1.160 175 A CA 2.326 54.345 52.037 -0.031 0.000 0.653 175 A CB -0.604 18.379 19.000 -0.029 0.000 0.801 175 A HN -0.573 7.546 8.150 -0.052 0.000 0.455 176 A N -2.211 120.590 122.820 -0.032 0.000 1.911 176 A HA -0.143 4.174 4.320 -0.005 0.000 0.212 176 A C 1.672 179.246 177.584 -0.017 0.000 1.189 176 A CA 1.703 53.728 52.037 -0.019 0.000 0.639 176 A CB 0.105 19.087 19.000 -0.030 0.000 0.839 176 A HN -0.521 7.414 8.150 -0.050 0.185 0.449 177 L N -3.392 117.817 121.223 -0.024 0.000 2.275 177 L HA -0.247 4.087 4.340 -0.010 0.000 0.215 177 L C 0.029 176.890 176.870 -0.015 0.000 1.119 177 L CA 2.172 57.003 54.840 -0.016 0.000 0.790 177 L CB 0.605 42.654 42.059 -0.016 0.000 0.919 177 L HN -0.128 8.004 8.230 -0.035 0.077 0.443 178 E N -5.266 114.924 120.200 -0.018 0.000 2.388 178 E HA 0.259 4.600 4.350 -0.015 0.000 0.281 178 E C -3.355 173.235 176.600 -0.017 0.000 1.046 178 E CA -2.560 53.831 56.400 -0.016 0.000 0.825 178 E CB 3.202 32.893 29.700 -0.015 0.000 1.243 178 E HN -0.571 7.740 8.360 -0.021 0.036 0.438 179 P HA 0.082 4.491 4.420 -0.019 0.000 0.260 179 P C -2.128 175.160 177.300 -0.020 0.000 1.185 179 P CA -0.464 62.625 63.100 -0.018 0.000 0.763 179 P CB -0.714 30.976 31.700 -0.017 0.000 0.776 180 P HA 0.126 4.533 4.420 -0.021 0.000 0.286 180 P C -1.711 175.577 177.300 -0.021 0.000 1.293 180 P CA -0.166 62.920 63.100 -0.023 0.000 0.770 180 P CB 1.235 32.917 31.700 -0.030 0.000 1.206 181 E N -0.769 119.420 120.200 -0.019 0.000 2.502 181 E HA 0.208 4.548 4.350 -0.017 0.000 0.261 181 E C -1.450 175.141 176.600 -0.013 0.000 0.974 181 E CA -1.609 54.782 56.400 -0.015 0.000 0.795 181 E CB 0.756 30.450 29.700 -0.011 0.000 1.385 181 E HN 0.078 8.427 8.360 -0.018 0.000 0.400 182 P HA 0.167 4.581 4.420 -0.009 0.000 0.236 182 P C -0.630 176.666 177.300 -0.007 0.000 1.709 182 P CA -0.340 62.751 63.100 -0.014 0.000 0.942 182 P CB -0.299 31.385 31.700 -0.026 0.000 1.615 183 K N 0.359 120.756 120.400 -0.005 0.000 2.397 183 K HA -0.144 4.174 4.320 -0.004 0.000 0.265 183 K C -0.674 175.928 176.600 0.003 0.000 0.982 183 K CA 0.219 56.505 56.287 -0.002 0.000 0.931 183 K CB 0.872 33.371 32.500 -0.002 0.000 0.943 183 K HN -0.264 7.866 8.250 -0.006 0.117 0.501 184 K N 0.000 120.402 120.400 0.004 0.000 2.780 184 K HA 0.000 4.326 4.320 0.011 0.000 0.191 184 K CA 0.000 56.291 56.287 0.008 0.000 0.838 184 K CB 0.000 32.504 32.500 0.007 0.000 1.064 184 K HN 0.000 8.251 8.250 0.002 0.000 0.543