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 1yzb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESIFHEKQE GSLCAQHCLN NLLQGEYFSP VELSSIAHQL DEEERMRMAE DATA SEQUENCE GGVTSEDYRT FLQQPSGNMD DSGFFSIQVI SNALKVWGLE LILFNSPEYQ DATA SEQUENCE RLRIDPINER SFICNYKEHW FTVRKLGKQW FNLNSLLTGP ELISDTYLAL DATA SEQUENCE FLAQLQQEGY SIFVVKGDLP DCEADQLLQM IR 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 4.372 4.480 -0.180 0.000 0.227 1 M C 0.000 176.242 176.300 -0.097 0.000 1.140 1 M CA 0.000 55.248 55.300 -0.087 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 E N 1.325 121.482 120.200 -0.073 0.000 2.042 2 E HA 0.021 4.341 4.350 -0.051 0.000 0.189 2 E C 0.964 177.527 176.600 -0.062 0.000 0.974 2 E CA 1.148 57.515 56.400 -0.056 0.000 0.806 2 E CB 0.304 29.983 29.700 -0.035 0.000 0.769 2 E HN 0.321 8.643 8.360 -0.063 0.000 0.451 3 S N -1.722 113.941 115.700 -0.063 0.000 2.583 3 S HA 0.090 4.547 4.470 -0.022 0.000 0.239 3 S C -1.056 173.519 174.600 -0.043 0.000 0.966 3 S CA -0.125 58.053 58.200 -0.037 0.000 0.973 3 S CB 0.520 63.708 63.200 -0.020 0.000 0.794 3 S HN 0.091 8.359 8.310 -0.070 0.000 0.463 4 I N 3.349 123.849 120.570 -0.116 0.000 2.680 4 I HA -0.300 3.783 4.170 -0.144 0.000 0.286 4 I C -1.091 174.995 176.117 -0.052 0.000 1.144 4 I CA 0.820 62.028 61.300 -0.153 0.000 1.370 4 I CB -0.715 37.084 38.000 -0.334 0.000 1.420 4 I HN -0.574 7.478 8.210 -0.143 0.072 0.540 5 F N 11.042 130.928 119.950 -0.107 0.000 2.464 5 F HA 0.055 4.536 4.527 -0.076 0.000 0.353 5 F C -1.952 173.830 175.800 -0.031 0.000 1.191 5 F CA -0.710 57.242 58.000 -0.080 0.000 1.147 5 F CB 0.082 39.021 39.000 -0.101 0.000 1.294 5 F HN 0.261 8.640 8.300 0.131 0.000 0.583 6 H N 8.097 126.951 119.070 -0.360 0.000 2.539 6 H HA 0.364 5.048 4.556 -0.091 -0.183 0.332 6 H C -1.613 173.501 175.328 -0.357 0.000 1.031 6 H CA -1.724 54.182 56.048 -0.236 0.000 1.206 6 H CB 2.296 31.964 29.762 -0.157 0.000 1.446 6 H HN -0.295 7.786 8.280 -0.332 0.000 0.496 7 E N 7.245 127.076 120.200 -0.614 0.000 2.003 7 E HA -0.040 3.955 4.350 -0.591 0.000 0.279 7 E C -0.987 175.147 176.600 -0.777 0.000 1.132 7 E CA -0.159 55.904 56.400 -0.562 0.000 0.888 7 E CB -0.146 29.440 29.700 -0.190 0.000 1.056 7 E HN 0.018 8.353 8.360 -0.262 -0.132 0.399 8 K N 6.964 126.924 120.400 -0.733 0.000 2.378 8 K HA -0.134 3.797 4.320 -0.647 0.000 0.288 8 K C -0.272 176.197 176.600 -0.218 0.000 1.057 8 K CA -0.906 55.086 56.287 -0.493 0.000 0.971 8 K CB -0.059 32.300 32.500 -0.234 0.000 0.975 8 K HN 0.063 7.962 8.250 -0.584 0.000 0.475 9 Q N 6.527 126.246 119.800 -0.136 0.000 2.267 9 Q HA -0.004 4.311 4.340 -0.042 0.000 0.255 9 Q C -1.014 174.966 176.000 -0.033 0.000 0.923 9 Q CA -0.191 55.580 55.803 -0.054 0.000 0.925 9 Q CB 1.532 30.263 28.738 -0.011 0.000 1.195 9 Q HN 0.153 8.345 8.270 -0.131 0.000 0.417 10 E N 4.656 124.847 120.200 -0.014 0.000 2.279 10 E HA 0.233 4.582 4.350 -0.001 0.000 0.252 10 E C -1.020 175.589 176.600 0.014 0.000 0.894 10 E CA -0.815 55.584 56.400 -0.003 0.000 0.785 10 E CB 0.952 30.645 29.700 -0.012 0.000 1.237 10 E HN 0.230 8.583 8.360 -0.013 0.000 0.418 11 G N 4.977 113.794 108.800 0.027 0.000 2.295 11 G HA2 -0.057 3.918 3.960 0.026 0.000 0.155 11 G HA3 -0.057 3.926 3.960 0.039 0.000 0.155 11 G C -1.197 173.740 174.900 0.061 0.000 1.307 11 G CA -0.243 44.880 45.100 0.037 0.000 1.140 11 G HN 0.081 8.386 8.290 0.025 0.000 0.470 12 S N 0.402 116.151 115.700 0.080 0.000 2.604 12 S HA 0.008 4.550 4.470 0.120 0.000 0.235 12 S C 0.235 174.951 174.600 0.193 0.000 1.043 12 S CA 0.113 58.380 58.200 0.112 0.000 0.997 12 S CB 1.375 64.605 63.200 0.050 0.000 0.956 12 S HN 0.069 8.422 8.310 0.072 0.000 0.535 13 L N 4.280 125.608 121.223 0.176 0.000 2.449 13 L HA 0.268 5.015 4.340 0.289 -0.234 0.266 13 L C 0.149 177.112 176.870 0.155 0.000 1.321 13 L CA -0.053 54.896 54.840 0.182 0.000 1.194 13 L CB -2.416 39.700 42.059 0.096 0.000 1.384 13 L HN -0.101 8.206 8.230 0.129 0.000 0.438 14 C N 2.748 122.188 119.300 0.233 0.000 2.467 14 C HA -0.186 4.679 4.460 0.392 -0.170 0.279 14 C C 1.372 176.064 174.990 -0.497 0.000 1.347 14 C CA 2.355 61.443 59.018 0.117 0.000 1.748 14 C CB -0.689 27.354 27.740 0.505 0.000 1.977 14 C HN 0.476 8.892 8.230 0.365 0.033 0.501 15 A N -0.241 122.200 122.820 -0.632 0.000 1.933 15 A HA -0.398 3.285 4.320 -1.062 0.000 0.218 15 A C 1.595 178.747 177.584 -0.720 0.000 1.175 15 A CA 3.370 54.791 52.037 -1.026 0.000 0.628 15 A CB -0.884 16.997 19.000 -1.865 0.000 0.814 15 A HN 0.294 8.149 8.150 -0.491 0.000 0.444 16 Q N -0.694 118.817 119.800 -0.482 0.000 1.990 16 Q HA -0.414 3.788 4.340 -0.229 0.000 0.200 16 Q C 1.394 177.284 176.000 -0.185 0.000 0.980 16 Q CA 3.459 59.115 55.803 -0.245 0.000 0.832 16 Q CB -0.132 28.544 28.738 -0.103 0.000 0.897 16 Q HN -0.119 7.783 8.270 -0.449 0.098 0.427 17 H N -0.702 118.288 119.070 -0.134 0.000 2.387 17 H HA -0.212 4.422 4.556 -0.086 -0.130 0.299 17 H C 2.295 177.563 175.328 -0.100 0.000 1.090 17 H CA 2.436 58.432 56.048 -0.086 0.000 1.332 17 H CB -0.210 29.537 29.762 -0.024 0.000 1.386 17 H HN -0.293 7.952 8.280 -0.058 0.000 0.516 18 C N 0.756 119.618 119.300 -0.730 0.000 2.446 18 C HA -0.165 4.111 4.460 -0.307 0.000 0.277 18 C C 2.042 176.811 174.990 -0.368 0.000 1.275 18 C CA 3.707 62.369 59.018 -0.593 0.000 1.727 18 C CB -0.242 26.886 27.740 -1.020 0.000 2.010 18 C HN 0.225 7.745 8.230 -0.983 0.120 0.486 19 L N 0.432 121.410 121.223 -0.409 0.000 2.127 19 L HA -0.231 3.906 4.340 -0.339 0.000 0.203 19 L C 1.591 178.377 176.870 -0.141 0.000 1.080 19 L CA 3.114 57.758 54.840 -0.328 0.000 0.768 19 L CB 0.130 41.915 42.059 -0.456 0.000 0.924 19 L HN 0.060 8.001 8.230 -0.481 0.000 0.444 20 N N -1.510 117.144 118.700 -0.078 0.000 2.453 20 N HA -0.205 4.713 4.740 0.007 -0.173 0.183 20 N C 1.375 176.918 175.510 0.054 0.000 1.041 20 N CA 2.401 55.455 53.050 0.006 0.000 0.900 20 N CB -0.378 38.125 38.487 0.027 0.000 0.961 20 N HN 0.337 8.643 8.380 -0.123 0.000 0.443 21 N N -0.413 118.315 118.700 0.046 0.000 2.333 21 N HA -0.089 4.740 4.740 0.149 0.000 0.183 21 N C 1.819 177.353 175.510 0.039 0.000 1.030 21 N CA 2.237 55.347 53.050 0.100 0.000 0.867 21 N CB 1.027 39.620 38.487 0.178 0.000 1.027 21 N HN -0.648 7.705 8.380 0.000 0.027 0.435 22 L N 1.819 123.032 121.223 -0.017 0.000 2.021 22 L HA -0.300 4.039 4.340 -0.001 0.000 0.215 22 L C 0.782 177.626 176.870 -0.044 0.000 1.074 22 L CA 3.266 58.084 54.840 -0.037 0.000 0.760 22 L CB -0.285 41.712 42.059 -0.105 0.000 0.889 22 L HN 0.171 8.259 8.230 -0.047 0.114 0.433 23 L N -5.590 115.596 121.223 -0.061 0.000 2.675 23 L HA -0.177 4.105 4.340 -0.096 0.000 0.238 23 L C -0.192 176.693 176.870 0.026 0.000 1.155 23 L CA 0.423 55.232 54.840 -0.051 0.000 0.881 23 L CB -0.020 41.999 42.059 -0.065 0.000 1.008 23 L HN -0.337 7.851 8.230 -0.070 0.000 0.443 24 Q N -5.297 114.503 119.800 0.000 0.000 2.502 24 Q HA -0.363 4.023 4.340 0.004 -0.044 0.273 24 Q C -1.209 174.744 176.000 -0.078 0.000 1.127 24 Q CA 0.832 56.628 55.803 -0.011 0.000 0.952 24 Q CB -2.282 26.441 28.738 -0.024 0.000 1.333 24 Q HN 0.256 8.282 8.270 -0.004 0.241 0.494 25 G N -6.133 102.604 108.800 -0.105 0.000 2.339 25 G HA2 -0.014 3.733 3.960 -0.354 0.000 0.302 25 G HA3 -0.014 3.446 3.960 -0.833 0.000 0.302 25 G C -3.294 171.311 174.900 -0.491 0.000 1.425 25 G CA -0.350 44.458 45.100 -0.486 0.000 0.899 25 G HN -0.945 7.321 8.290 -0.014 0.015 0.619 26 E N -0.346 119.517 120.200 -0.560 0.000 2.166 26 E HA -0.089 4.391 4.350 -0.089 -0.184 0.279 26 E C -1.130 175.127 176.600 -0.572 0.000 1.095 26 E CA -0.006 56.221 56.400 -0.289 0.000 0.888 26 E CB -0.009 29.680 29.700 -0.020 0.000 1.041 26 E HN 0.163 7.963 8.360 -0.933 0.000 0.414 27 Y N 3.039 123.314 120.300 -0.042 0.000 2.437 27 Y HA 0.130 4.610 4.550 -0.117 0.000 0.266 27 Y C -1.079 174.676 175.900 -0.242 0.000 1.077 27 Y CA 0.471 58.502 58.100 -0.116 0.000 1.235 27 Y CB 2.455 40.788 38.460 -0.211 0.000 1.303 27 Y HN 0.381 8.962 8.280 0.035 -0.280 0.536 28 F N -1.398 118.568 119.950 0.026 0.000 2.603 28 F HA 0.284 5.051 4.527 0.051 -0.210 0.317 28 F C -1.335 174.446 175.800 -0.031 0.000 1.066 28 F CA -1.664 56.336 58.000 -0.000 0.000 0.941 28 F CB 4.705 43.668 39.000 -0.062 0.000 1.291 28 F HN -0.287 8.523 8.300 0.235 -0.370 0.472 29 S N -0.790 115.006 115.700 0.159 0.000 2.632 29 S HA 0.540 5.043 4.470 0.056 0.000 0.289 29 S C -1.809 172.842 174.600 0.084 0.000 1.115 29 S CA -2.636 55.612 58.200 0.080 0.000 0.889 29 S CB 0.898 64.124 63.200 0.044 0.000 1.116 29 S HN -0.212 8.369 8.310 0.203 -0.149 0.486 30 P HA -0.207 4.260 4.420 0.078 0.000 0.214 30 P C 1.711 179.085 177.300 0.124 0.000 1.169 30 P CA 2.576 65.730 63.100 0.089 0.000 0.908 30 P CB -0.031 31.722 31.700 0.088 0.000 0.791 31 V N -3.752 116.221 119.914 0.098 0.000 2.392 31 V HA -0.426 3.757 4.120 0.104 0.000 0.249 31 V C 1.403 177.565 176.094 0.113 0.000 1.059 31 V CA 3.377 65.734 62.300 0.094 0.000 1.051 31 V CB -0.148 31.710 31.823 0.058 0.000 0.658 31 V HN -0.138 8.098 8.190 0.077 0.000 0.455 32 E N -0.567 119.707 120.200 0.122 0.000 2.150 32 E HA -0.270 4.162 4.350 0.136 0.000 0.193 32 E C 2.188 178.932 176.600 0.240 0.000 0.985 32 E CA 2.662 59.164 56.400 0.170 0.000 0.814 32 E CB -0.227 29.571 29.700 0.163 0.000 0.752 32 E HN -0.168 8.167 8.360 0.106 0.088 0.466 33 L N -2.059 119.278 121.223 0.190 0.000 2.141 33 L HA -0.304 4.069 4.340 0.056 0.000 0.209 33 L C 2.240 179.232 176.870 0.204 0.000 1.094 33 L CA 3.055 57.955 54.840 0.100 0.000 0.763 33 L CB -0.280 41.716 42.059 -0.105 0.000 0.908 33 L HN 0.548 8.670 8.230 0.160 0.204 0.437 34 S N -1.573 114.271 115.700 0.241 0.000 2.436 34 S HA -0.240 4.417 4.470 0.311 0.000 0.228 34 S C 1.987 176.750 174.600 0.272 0.000 1.014 34 S CA 3.132 61.494 58.200 0.270 0.000 0.950 34 S CB -0.192 63.141 63.200 0.222 0.000 0.784 34 S HN -0.032 8.285 8.310 0.208 0.118 0.504 35 S N 2.488 118.301 115.700 0.188 0.000 2.371 35 S HA -0.212 4.306 4.470 0.079 0.000 0.224 35 S C 1.739 176.453 174.600 0.191 0.000 1.029 35 S CA 3.282 61.568 58.200 0.143 0.000 0.978 35 S CB -0.125 63.136 63.200 0.101 0.000 0.833 35 S HN -0.343 7.929 8.310 0.175 0.144 0.466 36 I N -3.831 116.857 120.570 0.196 0.000 2.353 36 I HA -0.162 4.110 4.170 0.170 0.000 0.248 36 I C 1.887 178.089 176.117 0.141 0.000 1.119 36 I CA 2.706 64.105 61.300 0.166 0.000 1.417 36 I CB -0.518 37.560 38.000 0.129 0.000 1.078 36 I HN 0.068 8.297 8.210 0.207 0.106 0.421 37 A N 0.086 123.001 122.820 0.160 0.000 1.948 37 A HA -0.453 3.932 4.320 0.109 0.000 0.220 37 A C 1.592 179.237 177.584 0.102 0.000 1.177 37 A CA 3.033 55.155 52.037 0.141 0.000 0.636 37 A CB -0.963 18.150 19.000 0.189 0.000 0.815 37 A HN 0.006 8.150 8.150 0.177 0.112 0.449 38 H N -2.976 116.135 119.070 0.068 0.000 2.491 38 H HA -0.176 4.398 4.556 0.029 0.000 0.290 38 H C 2.058 177.416 175.328 0.051 0.000 1.050 38 H CA 3.217 59.293 56.048 0.046 0.000 1.309 38 H CB 0.609 30.396 29.762 0.042 0.000 1.392 38 H HN -0.443 7.922 8.280 0.337 0.116 0.554 39 Q N -1.512 118.388 119.800 0.168 0.000 2.297 39 Q HA -0.192 4.382 4.340 0.131 -0.155 0.204 39 Q C 1.758 177.818 176.000 0.099 0.000 0.962 39 Q CA 2.788 58.667 55.803 0.126 0.000 0.879 39 Q CB -1.013 27.794 28.738 0.114 0.000 0.947 39 Q HN 0.040 8.230 8.270 0.173 0.184 0.462 40 L N 0.173 121.447 121.223 0.084 0.000 2.017 40 L HA -0.335 4.054 4.340 0.081 0.000 0.208 40 L C 1.932 178.868 176.870 0.109 0.000 1.073 40 L CA 2.759 57.648 54.840 0.081 0.000 0.745 40 L CB -1.703 40.395 42.059 0.065 0.000 0.894 40 L HN -0.792 7.468 8.230 0.082 0.019 0.432 41 D N -0.343 120.094 120.400 0.063 0.000 2.106 41 D HA -0.368 4.328 4.640 0.094 0.000 0.191 41 D C 2.150 178.536 176.300 0.144 0.000 0.997 41 D CA 3.345 57.372 54.000 0.045 0.000 0.834 41 D CB 0.059 40.779 40.800 -0.132 0.000 0.956 41 D HN -0.258 8.122 8.370 0.017 0.000 0.448 42 E N -2.581 117.687 120.200 0.113 0.000 2.285 42 E HA -0.256 4.169 4.350 0.125 0.000 0.194 42 E C 2.340 179.014 176.600 0.124 0.000 0.997 42 E CA 2.274 58.748 56.400 0.122 0.000 0.845 42 E CB -0.364 29.404 29.700 0.112 0.000 0.782 42 E HN -0.342 8.079 8.360 0.101 0.000 0.491 43 E N 1.474 121.742 120.200 0.114 0.000 2.086 43 E HA -0.194 4.206 4.350 0.083 0.000 0.190 43 E C 2.056 178.703 176.600 0.078 0.000 0.975 43 E CA 2.868 59.322 56.400 0.089 0.000 0.813 43 E CB -0.075 29.671 29.700 0.076 0.000 0.768 43 E HN -0.149 8.130 8.360 0.116 0.151 0.457 44 E N -0.719 119.541 120.200 0.099 0.000 2.152 44 E HA -0.286 4.054 4.350 -0.018 0.000 0.192 44 E C 2.005 178.578 176.600 -0.046 0.000 0.983 44 E CA 2.659 59.071 56.400 0.021 0.000 0.818 44 E CB -0.314 29.430 29.700 0.072 0.000 0.758 44 E HN 0.337 8.676 8.360 0.143 0.107 0.467 45 R N 0.373 120.961 120.500 0.146 0.000 2.097 45 R HA -0.292 4.103 4.340 0.091 0.000 0.236 45 R C 2.207 178.598 176.300 0.151 0.000 1.135 45 R CA 3.321 59.512 56.100 0.152 0.000 0.934 45 R CB -0.281 30.125 30.300 0.176 0.000 0.846 45 R HN 0.079 8.389 8.270 0.249 0.109 0.431 46 M N -2.492 117.190 119.600 0.137 0.000 2.229 46 M HA -0.280 4.300 4.480 0.166 0.000 0.264 46 M C 1.973 178.317 176.300 0.073 0.000 1.063 46 M CA 3.571 58.945 55.300 0.122 0.000 1.114 46 M CB -0.074 32.583 32.600 0.094 0.000 1.387 46 M HN -0.392 7.871 8.290 0.125 0.102 0.420 47 R N 0.343 120.864 120.500 0.036 0.000 2.081 47 R HA -0.218 4.439 4.340 0.012 -0.310 0.235 47 R C 2.812 179.102 176.300 -0.016 0.000 1.131 47 R CA 2.853 58.954 56.100 0.001 0.000 0.960 47 R CB -0.076 30.210 30.300 -0.023 0.000 0.856 47 R HN -0.222 7.868 8.270 0.038 0.203 0.436 48 M N -2.028 117.547 119.600 -0.041 0.000 2.175 48 M HA -0.228 4.215 4.480 -0.062 0.000 0.264 48 M C 1.839 178.167 176.300 0.046 0.000 1.063 48 M CA 3.665 58.943 55.300 -0.037 0.000 1.119 48 M CB 0.396 32.928 32.600 -0.113 0.000 1.377 48 M HN 0.144 8.291 8.290 -0.064 0.104 0.415 49 A N -1.573 121.310 122.820 0.105 0.000 2.121 49 A HA -0.163 4.190 4.320 0.055 0.000 0.218 49 A C 1.545 179.146 177.584 0.029 0.000 1.154 49 A CA 2.214 54.298 52.037 0.078 0.000 0.679 49 A CB -1.097 17.968 19.000 0.108 0.000 0.795 49 A HN -0.228 7.913 8.150 0.133 0.088 0.458 50 E N -3.182 117.034 120.200 0.026 0.000 2.481 50 E HA -0.106 4.251 4.350 0.012 0.000 0.195 50 E C 0.146 176.749 176.600 0.005 0.000 1.047 50 E CA 0.130 56.538 56.400 0.013 0.000 0.867 50 E CB 0.478 30.185 29.700 0.013 0.000 0.858 50 E HN -0.513 7.689 8.360 0.031 0.177 0.513 51 G N -1.007 107.795 108.800 0.003 0.000 2.145 51 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.174 51 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.174 51 G C -0.994 173.903 174.900 -0.006 0.000 1.726 51 G CA 0.092 45.191 45.100 -0.002 0.000 1.080 51 G HN -0.370 7.732 8.290 0.009 0.193 0.606 52 G N 3.439 112.238 108.800 -0.002 0.000 2.925 52 G HA2 -0.114 3.842 3.960 -0.006 0.000 0.224 52 G HA3 -0.114 3.833 3.960 -0.021 0.000 0.224 52 G C -1.660 173.243 174.900 0.006 0.000 1.015 52 G CA -0.186 44.909 45.100 -0.007 0.000 1.026 52 G HN -0.058 8.233 8.290 0.003 0.000 0.608 53 V N -0.729 119.198 119.914 0.023 0.000 2.525 53 V HA 0.270 4.426 4.120 0.061 0.000 0.299 53 V C 0.138 176.251 176.094 0.032 0.000 1.034 53 V CA -1.356 60.975 62.300 0.052 0.000 0.863 53 V CB 1.233 33.112 31.823 0.094 0.000 0.999 53 V HN -0.399 7.799 8.190 0.013 0.000 0.423 54 T N 7.693 122.270 114.554 0.039 0.000 2.612 54 T HA -0.063 4.297 4.350 0.017 0.000 0.251 54 T C 0.071 174.787 174.700 0.026 0.000 1.090 54 T CA 2.386 64.503 62.100 0.028 0.000 1.198 54 T CB 0.489 69.375 68.868 0.030 0.000 0.878 54 T HN 0.310 8.578 8.240 0.048 0.000 0.401 55 S N -2.824 112.903 115.700 0.045 0.000 5.096 55 S HA 0.051 4.534 4.470 0.021 0.000 0.162 55 S C 1.373 176.024 174.600 0.086 0.000 1.106 55 S CA 1.068 59.294 58.200 0.043 0.000 1.330 55 S CB -0.272 62.943 63.200 0.025 0.000 1.881 55 S HN -0.590 7.754 8.310 0.057 0.000 0.584 56 E N 2.198 122.446 120.200 0.080 0.000 2.208 56 E HA -0.033 4.380 4.350 0.105 0.000 0.193 56 E C 1.474 178.151 176.600 0.128 0.000 0.988 56 E CA 1.862 58.319 56.400 0.096 0.000 0.828 56 E CB -0.161 29.578 29.700 0.065 0.000 0.763 56 E HN 0.224 8.620 8.360 0.060 0.000 0.478 57 D N -1.853 118.620 120.400 0.121 0.000 2.172 57 D HA -0.336 4.369 4.640 0.108 0.000 0.196 57 D C 1.638 178.057 176.300 0.198 0.000 0.999 57 D CA 3.164 57.242 54.000 0.130 0.000 0.856 57 D CB -0.198 40.660 40.800 0.096 0.000 0.934 57 D HN 0.464 8.863 8.370 0.097 0.030 0.453 58 Y N -0.347 120.007 120.300 0.089 0.000 2.097 58 Y HA -0.400 4.242 4.550 0.153 0.000 0.282 58 Y C 1.608 177.610 175.900 0.169 0.000 1.152 58 Y CA 3.704 61.883 58.100 0.131 0.000 1.136 58 Y CB -0.029 38.482 38.460 0.086 0.000 0.975 58 Y HN -0.825 7.616 8.280 0.302 0.020 0.498 59 R N -2.099 118.530 120.500 0.214 0.000 2.093 59 R HA -0.201 4.153 4.340 0.023 0.000 0.224 59 R C 2.139 178.465 176.300 0.044 0.000 1.101 59 R CA 2.127 58.282 56.100 0.093 0.000 0.979 59 R CB -0.837 29.535 30.300 0.120 0.000 0.877 59 R HN -0.374 7.982 8.270 0.281 0.082 0.441 60 T N 1.811 116.415 114.554 0.083 0.000 2.946 60 T HA -0.262 4.110 4.350 0.035 0.000 0.271 60 T C 1.021 175.771 174.700 0.083 0.000 1.104 60 T CA 4.615 66.755 62.100 0.067 0.000 1.114 60 T CB -0.435 68.480 68.868 0.079 0.000 0.867 60 T HN 0.322 8.516 8.240 0.113 0.113 0.513 61 F N 1.079 120.996 119.950 -0.054 0.000 2.317 61 F HA 0.045 4.538 4.527 -0.056 0.000 0.290 61 F C 0.072 175.805 175.800 -0.111 0.000 1.075 61 F CA 1.827 59.778 58.000 -0.082 0.000 1.380 61 F CB 0.836 39.776 39.000 -0.100 0.000 1.093 61 F HN -0.583 7.685 8.300 0.198 0.151 0.524 62 L N -2.342 118.633 121.223 -0.414 0.000 2.362 62 L HA -0.267 3.602 4.340 -0.785 0.000 0.219 62 L C 1.698 178.375 176.870 -0.321 0.000 1.134 62 L CA 1.496 56.044 54.840 -0.486 0.000 0.807 62 L CB -0.287 41.596 42.059 -0.294 0.000 0.927 62 L HN -0.506 7.565 8.230 -0.146 0.071 0.447 63 Q N -2.577 117.097 119.800 -0.211 0.000 2.344 63 Q HA -0.191 4.081 4.340 -0.114 0.000 0.212 63 Q C -0.371 175.535 176.000 -0.157 0.000 0.943 63 Q CA 0.609 56.330 55.803 -0.136 0.000 0.955 63 Q CB -0.488 28.208 28.738 -0.069 0.000 1.000 63 Q HN -0.441 7.690 8.270 -0.172 0.036 0.488 64 Q N -1.168 118.477 119.800 -0.259 0.000 2.394 64 Q HA 0.394 4.643 4.340 -0.151 0.000 0.273 64 Q C -2.139 173.708 176.000 -0.254 0.000 1.089 64 Q CA -3.196 52.467 55.803 -0.234 0.000 0.812 64 Q CB 1.620 30.201 28.738 -0.262 0.000 1.353 64 Q HN -0.641 7.260 8.270 -0.366 0.149 0.438 65 P HA 0.050 4.346 4.420 -0.208 0.000 0.235 65 P C -1.494 175.705 177.300 -0.168 0.000 1.765 65 P CA 0.140 63.139 63.100 -0.168 0.000 1.034 65 P CB -1.226 30.416 31.700 -0.096 0.000 1.984 66 S N 1.979 117.535 115.700 -0.239 0.000 3.024 66 S HA -0.267 4.154 4.470 -0.082 0.000 0.316 66 S C 0.309 174.848 174.600 -0.101 0.000 1.197 66 S CA 0.467 58.572 58.200 -0.158 0.000 1.097 66 S CB -0.800 62.260 63.200 -0.234 0.000 1.471 66 S HN -0.112 7.949 8.310 -0.327 0.054 0.543 67 G N 4.458 113.229 108.800 -0.048 0.000 2.284 67 G HA2 -0.478 3.503 3.960 0.036 0.000 0.247 67 G HA3 -0.478 3.601 3.960 0.007 -0.115 0.247 67 G C -1.534 173.350 174.900 -0.025 0.000 1.012 67 G CA 0.516 45.613 45.100 -0.005 0.000 0.618 67 G HN -0.086 8.166 8.290 -0.038 0.015 0.521 68 N N 1.188 119.808 118.700 -0.132 0.000 2.411 68 N HA -0.238 4.429 4.740 -0.122 0.000 0.261 68 N C -0.149 175.324 175.510 -0.062 0.000 1.248 68 N CA 0.414 53.373 53.050 -0.152 0.000 0.885 68 N CB 0.745 39.061 38.487 -0.285 0.000 1.062 68 N HN -0.145 7.989 8.380 -0.183 0.136 0.471 69 M N 3.818 123.399 119.600 -0.031 0.000 2.318 69 M HA 0.276 4.652 4.480 -0.173 0.000 0.347 69 M C -0.862 175.373 176.300 -0.108 0.000 1.175 69 M CA -0.264 54.943 55.300 -0.155 0.000 1.075 69 M CB 1.385 33.763 32.600 -0.370 0.000 1.614 69 M HN 0.130 8.447 8.290 0.045 0.000 0.456 70 D N 1.755 122.068 120.400 -0.145 0.000 3.239 70 D HA 0.029 4.631 4.640 -0.064 0.000 0.265 70 D C -0.330 175.857 176.300 -0.188 0.000 1.442 70 D CA 1.249 55.188 54.000 -0.102 0.000 1.178 70 D CB 2.143 42.921 40.800 -0.037 0.000 1.198 70 D HN 0.230 8.499 8.370 -0.169 0.000 0.366 71 D N 0.289 120.513 120.400 -0.294 0.000 2.412 71 D HA -0.135 4.305 4.640 -0.333 0.000 0.257 71 D C 0.066 176.004 176.300 -0.604 0.000 1.217 71 D CA 1.009 54.696 54.000 -0.522 0.000 0.897 71 D CB 0.335 40.506 40.800 -1.048 0.000 1.132 71 D HN -0.119 8.136 8.370 -0.193 0.000 0.493 72 S N 4.644 120.146 115.700 -0.329 0.000 2.803 72 S HA -0.068 4.245 4.470 -0.261 0.000 0.226 72 S C 0.259 174.883 174.600 0.041 0.000 0.962 72 S CA 0.323 58.451 58.200 -0.121 0.000 0.968 72 S CB -0.047 63.196 63.200 0.072 0.000 0.786 72 S HN 0.192 8.364 8.310 -0.230 0.000 0.527 73 G N 1.535 110.193 108.800 -0.238 0.000 2.808 73 G HA2 0.277 4.611 3.960 0.206 0.000 0.210 73 G HA3 0.277 4.203 3.960 -0.098 -0.025 0.210 73 G C -0.176 174.808 174.900 0.139 0.000 1.177 73 G CA 0.433 45.530 45.100 -0.005 0.000 0.853 73 G HN -0.316 7.731 8.290 -0.580 -0.105 0.625 74 F N 1.854 121.856 119.950 0.086 0.000 2.666 74 F HA 0.405 5.193 4.527 0.193 -0.146 0.362 74 F C -1.352 174.509 175.800 0.102 0.000 1.190 74 F CA -3.845 54.219 58.000 0.106 0.000 1.328 74 F CB -3.062 35.956 39.000 0.030 0.000 1.682 74 F HN -0.377 7.658 8.300 -0.981 -0.324 0.623 75 F N 2.768 122.952 119.950 0.391 0.000 2.529 75 F HA -0.131 4.571 4.527 0.292 0.000 0.365 75 F C 0.729 176.793 175.800 0.439 0.000 1.102 75 F CA 1.062 59.286 58.000 0.372 0.000 1.271 75 F CB 0.508 39.684 39.000 0.292 0.000 1.120 75 F HN -0.269 8.395 8.300 0.740 0.080 0.579 76 S N 3.358 119.327 115.700 0.449 0.000 2.610 76 S HA 0.126 4.737 4.470 0.235 0.000 0.273 76 S C 1.408 176.242 174.600 0.390 0.000 1.274 76 S CA -1.200 57.184 58.200 0.306 0.000 1.023 76 S CB 1.796 65.086 63.200 0.151 0.000 0.962 76 S HN 0.033 8.563 8.310 0.368 0.000 0.523 77 I N 5.300 126.050 120.570 0.301 0.000 2.300 77 I HA -0.423 4.318 4.170 0.953 0.000 0.252 77 I C 0.983 177.124 176.117 0.039 0.000 1.119 77 I CA 3.103 64.571 61.300 0.281 0.000 1.384 77 I CB -0.116 37.664 38.000 -0.367 0.000 1.062 77 I HN 0.736 9.025 8.210 0.133 0.000 0.426 78 Q N -2.010 117.809 119.800 0.032 0.000 2.268 78 Q HA -0.284 4.039 4.340 -0.029 0.000 0.210 78 Q C 2.476 178.469 176.000 -0.013 0.000 0.988 78 Q CA 2.829 58.635 55.803 0.006 0.000 0.883 78 Q CB -1.461 27.302 28.738 0.041 0.000 0.911 78 Q HN 0.571 8.851 8.270 0.058 0.025 0.430 79 V N -5.643 114.276 119.914 0.008 0.000 2.667 79 V HA -0.118 4.122 4.120 -0.046 -0.148 0.252 79 V C 2.036 177.980 176.094 -0.249 0.000 1.065 79 V CA 2.620 64.873 62.300 -0.078 0.000 1.083 79 V CB -0.157 31.648 31.823 -0.031 0.000 0.692 79 V HN 0.014 8.211 8.190 0.091 0.048 0.468 80 I N -0.887 119.505 120.570 -0.297 0.000 2.703 80 I HA -0.192 3.712 4.170 -0.444 0.000 0.259 80 I C 1.763 177.746 176.117 -0.222 0.000 1.151 80 I CA 0.051 61.128 61.300 -0.371 0.000 1.470 80 I CB -1.668 36.032 38.000 -0.500 0.000 1.112 80 I HN 0.171 8.116 8.210 -0.226 0.129 0.437 81 S N 0.995 116.601 115.700 -0.156 0.000 2.356 81 S HA -0.299 4.131 4.470 -0.067 0.000 0.223 81 S C 2.208 176.777 174.600 -0.052 0.000 1.032 81 S CA 4.110 62.259 58.200 -0.085 0.000 1.005 81 S CB 0.031 63.190 63.200 -0.069 0.000 0.867 81 S HN 0.083 8.217 8.310 -0.159 0.080 0.449 82 N N 0.160 118.828 118.700 -0.054 0.000 2.250 82 N HA -0.157 4.590 4.740 0.012 0.000 0.181 82 N C 1.466 176.964 175.510 -0.019 0.000 1.017 82 N CA 2.706 55.748 53.050 -0.013 0.000 0.866 82 N CB -0.882 37.610 38.487 0.008 0.000 0.985 82 N HN 0.029 8.367 8.380 -0.071 0.000 0.429 83 A N -0.085 122.659 122.820 -0.127 0.000 2.015 83 A HA -0.168 4.109 4.320 -0.072 0.000 0.219 83 A C 1.749 179.279 177.584 -0.089 0.000 1.163 83 A CA 2.569 54.477 52.037 -0.213 0.000 0.646 83 A CB -0.482 18.134 19.000 -0.642 0.000 0.806 83 A HN -0.565 7.479 8.150 -0.177 0.000 0.448 84 L N -2.849 118.318 121.223 -0.093 0.000 2.209 84 L HA -0.057 4.270 4.340 -0.022 0.000 0.207 84 L C 2.172 179.111 176.870 0.114 0.000 1.094 84 L CA 1.868 56.704 54.840 -0.006 0.000 0.790 84 L CB -0.800 41.232 42.059 -0.044 0.000 0.932 84 L HN -0.560 7.577 8.230 -0.132 0.014 0.447 85 K N 1.221 121.668 120.400 0.080 0.000 2.097 85 K HA -0.099 4.543 4.320 0.084 -0.271 0.206 85 K C 2.815 179.488 176.600 0.122 0.000 1.049 85 K CA 2.894 59.234 56.287 0.088 0.000 0.933 85 K CB -0.165 32.370 32.500 0.058 0.000 0.717 85 K HN -0.527 7.636 8.250 0.036 0.109 0.442 86 V N -4.846 115.167 119.914 0.165 0.000 3.141 86 V HA -0.199 3.979 4.120 0.096 0.000 0.265 86 V C 0.316 176.512 176.094 0.171 0.000 1.126 86 V CA 2.538 64.938 62.300 0.167 0.000 1.141 86 V CB -1.405 30.544 31.823 0.210 0.000 0.743 86 V HN 0.073 8.350 8.190 0.161 0.010 0.492 87 W N -0.127 121.183 121.300 0.017 0.000 3.177 87 W HA 0.224 4.874 4.660 -0.015 0.000 0.309 87 W C -0.197 176.311 176.519 -0.017 0.000 1.224 87 W CA 0.935 58.276 57.345 -0.007 0.000 1.718 87 W CB 0.679 30.130 29.460 -0.014 0.000 1.078 87 W HN -0.234 7.970 8.180 0.388 0.209 0.618 88 G N -2.157 106.747 108.800 0.172 0.000 2.135 88 G HA2 -0.355 3.649 3.960 0.073 0.000 0.183 88 G HA3 -0.355 3.655 3.960 0.083 0.000 0.183 88 G C -1.427 173.538 174.900 0.108 0.000 1.004 88 G CA -0.216 44.946 45.100 0.104 0.000 0.677 88 G HN -0.559 7.654 8.290 0.176 0.183 0.512 89 L N -1.856 119.440 121.223 0.121 0.000 2.331 89 L HA 0.559 4.953 4.340 0.090 0.000 0.268 89 L C -1.728 175.187 176.870 0.075 0.000 1.015 89 L CA -1.695 53.201 54.840 0.093 0.000 0.807 89 L CB 1.869 43.976 42.059 0.081 0.000 1.293 89 L HN -0.084 8.136 8.230 0.148 0.098 0.451 90 E N -0.212 120.031 120.200 0.071 0.000 2.299 90 E HA 0.340 4.723 4.350 0.054 0.000 0.265 90 E C -2.186 174.452 176.600 0.063 0.000 0.911 90 E CA -2.081 54.356 56.400 0.062 0.000 0.789 90 E CB 3.897 33.635 29.700 0.064 0.000 1.246 90 E HN 0.663 9.070 8.360 0.078 0.000 0.427 91 L N 4.240 125.495 121.223 0.054 0.000 2.404 91 L HA 0.406 4.950 4.340 0.100 -0.145 0.272 91 L C -1.709 175.199 176.870 0.063 0.000 0.980 91 L CA -0.638 54.248 54.840 0.076 0.000 0.836 91 L CB 2.450 44.548 42.059 0.064 0.000 1.238 91 L HN 0.324 8.580 8.230 0.043 0.000 0.408 92 I N 4.849 125.440 120.570 0.036 0.000 2.676 92 I HA 0.233 4.321 4.170 -0.136 0.000 0.309 92 I C -1.214 174.917 176.117 0.024 0.000 0.990 92 I CA -3.053 58.174 61.300 -0.122 0.000 1.168 92 I CB 2.235 39.959 38.000 -0.460 0.000 1.343 92 I HN 0.629 8.778 8.210 0.069 0.103 0.482 93 L N 2.268 123.463 121.223 -0.047 0.000 2.375 93 L HA 0.132 4.608 4.340 0.017 -0.126 0.271 93 L C -0.590 176.286 176.870 0.011 0.000 1.107 93 L CA 0.234 55.069 54.840 -0.007 0.000 0.806 93 L CB 1.299 43.360 42.059 0.003 0.000 1.146 93 L HN 0.224 8.353 8.230 -0.167 0.000 0.447 94 F N 4.494 124.313 119.950 -0.217 0.000 2.695 94 F HA 0.278 4.779 4.527 -0.043 0.000 0.303 94 F C -1.104 174.619 175.800 -0.128 0.000 1.091 94 F CA -0.893 57.019 58.000 -0.147 0.000 1.300 94 F CB 1.499 40.364 39.000 -0.225 0.000 1.071 94 F HN 0.411 8.641 8.300 -0.117 0.000 0.578 95 N N -2.884 115.732 118.700 -0.140 0.000 2.235 95 N HA 0.047 4.627 4.740 -0.266 0.000 0.231 95 N C -1.298 174.156 175.510 -0.094 0.000 1.177 95 N CA -0.177 52.764 53.050 -0.182 0.000 0.874 95 N CB 1.448 39.829 38.487 -0.177 0.000 1.097 95 N HN 0.054 8.295 8.380 -0.112 0.071 0.518 96 S N 1.808 117.499 115.700 -0.016 0.000 2.576 96 S HA 0.243 4.725 4.470 0.020 0.000 0.276 96 S C -0.328 174.291 174.600 0.032 0.000 1.339 96 S CA -2.127 56.101 58.200 0.047 0.000 1.039 96 S CB 1.205 64.494 63.200 0.149 0.000 0.902 96 S HN -0.825 7.423 8.310 0.013 0.070 0.516 97 P HA -0.307 4.093 4.420 -0.034 0.000 0.217 97 P C 1.058 178.348 177.300 -0.017 0.000 1.158 97 P CA 2.886 65.981 63.100 -0.009 0.000 0.887 97 P CB 0.133 31.835 31.700 0.003 0.000 0.792 98 E N -3.651 116.560 120.200 0.017 0.000 2.030 98 E HA -0.136 4.176 4.350 -0.064 0.000 0.189 98 E C 2.435 178.991 176.600 -0.073 0.000 0.974 98 E CA 2.181 58.558 56.400 -0.040 0.000 0.807 98 E CB -0.376 29.298 29.700 -0.043 0.000 0.771 98 E HN -0.173 8.220 8.360 0.068 0.008 0.451 99 Y N -0.663 119.621 120.300 -0.026 0.000 2.465 99 Y HA -0.298 4.272 4.550 0.034 0.000 0.289 99 Y C 2.283 178.114 175.900 -0.115 0.000 1.150 99 Y CA 2.840 60.940 58.100 -0.000 0.000 1.293 99 Y CB 0.120 38.615 38.460 0.058 0.000 0.977 99 Y HN -0.407 8.041 8.280 0.280 0.000 0.556 100 Q N -1.375 118.371 119.800 -0.090 0.000 2.269 100 Q HA -0.116 4.025 4.340 -0.646 -0.188 0.201 100 Q C 0.621 176.431 176.000 -0.316 0.000 0.946 100 Q CA 1.586 57.184 55.803 -0.342 0.000 0.877 100 Q CB 1.073 29.653 28.738 -0.263 0.000 0.963 100 Q HN 0.069 8.181 8.270 -0.026 0.143 0.472 101 R N -3.843 116.547 120.500 -0.183 0.000 2.642 101 R HA 0.260 4.500 4.340 -0.168 0.000 0.435 101 R C 0.544 176.777 176.300 -0.112 0.000 1.046 101 R CA -0.488 55.523 56.100 -0.147 0.000 1.103 101 R CB 0.199 30.426 30.300 -0.121 0.000 1.425 101 R HN -0.060 8.013 8.270 -0.140 0.113 0.586 102 L N -5.041 116.113 121.223 -0.115 0.000 2.585 102 L HA 0.238 4.514 4.340 -0.108 0.000 0.226 102 L C -1.037 175.789 176.870 -0.074 0.000 1.113 102 L CA 0.262 55.031 54.840 -0.119 0.000 0.876 102 L CB 0.216 42.145 42.059 -0.216 0.000 1.072 102 L HN -0.852 7.308 8.230 -0.118 0.000 0.468 103 R N -2.541 117.936 120.500 -0.038 0.000 3.096 103 R HA -0.308 4.038 4.340 0.009 0.000 0.261 103 R C -1.380 174.936 176.300 0.027 0.000 0.988 103 R CA 0.196 56.294 56.100 -0.003 0.000 0.661 103 R CB -2.890 27.398 30.300 -0.020 0.000 1.274 103 R HN -0.068 8.123 8.270 -0.048 0.050 0.416 104 I N 0.890 121.517 120.570 0.094 0.000 2.312 104 I HA -0.045 4.151 4.170 0.044 0.000 0.291 104 I C -0.812 175.319 176.117 0.022 0.000 1.031 104 I CA -0.396 60.949 61.300 0.075 0.000 1.293 104 I CB 0.526 38.600 38.000 0.123 0.000 1.403 104 I HN 0.082 8.395 8.210 0.171 0.000 0.484 105 D N 9.076 129.482 120.400 0.009 0.000 2.389 105 D HA 0.135 4.767 4.640 -0.014 0.000 0.263 105 D C -0.600 175.659 176.300 -0.067 0.000 1.255 105 D CA -0.525 53.470 54.000 -0.008 0.000 0.914 105 D CB 0.487 41.308 40.800 0.036 0.000 1.116 105 D HN 0.190 8.576 8.370 0.026 0.000 0.502 106 P HA -0.102 3.997 4.420 -0.535 0.000 0.218 106 P C 0.821 177.971 177.300 -0.249 0.000 1.149 106 P CA 1.822 64.698 63.100 -0.372 0.000 0.817 106 P CB 0.140 31.560 31.700 -0.467 0.000 0.785 107 I N -8.520 111.977 120.570 -0.122 0.000 2.756 107 I HA -0.234 4.028 4.170 0.152 0.000 0.262 107 I C 0.911 177.314 176.117 0.476 0.000 1.225 107 I CA 1.925 63.343 61.300 0.197 0.000 1.472 107 I CB -1.037 37.073 38.000 0.184 0.000 1.094 107 I HN -0.131 8.003 8.210 -0.094 0.019 0.454 108 N N 0.344 119.213 118.700 0.281 0.000 2.416 108 N HA -0.091 4.796 4.740 0.245 0.000 0.177 108 N C 0.096 175.805 175.510 0.331 0.000 1.036 108 N CA 1.212 54.416 53.050 0.256 0.000 0.901 108 N CB 0.759 39.335 38.487 0.148 0.000 0.976 108 N HN -0.286 7.995 8.380 0.156 0.193 0.444 109 E N -1.554 118.924 120.200 0.462 0.000 2.620 109 E HA 0.020 4.569 4.350 0.332 0.000 0.255 109 E C -0.378 176.578 176.600 0.593 0.000 1.346 109 E CA -0.308 56.398 56.400 0.510 0.000 1.013 109 E CB 0.674 30.712 29.700 0.562 0.000 1.131 109 E HN -0.699 7.768 8.360 0.438 0.156 0.608 110 R N -3.676 117.070 120.500 0.409 0.000 2.221 110 R HA 0.076 4.401 4.340 -0.025 0.000 0.195 110 R C -0.670 175.651 176.300 0.035 0.000 0.956 110 R CA 0.261 56.436 56.100 0.125 0.000 1.064 110 R CB 1.413 31.757 30.300 0.074 0.000 1.049 110 R HN 0.409 8.912 8.270 0.387 0.000 0.534 111 S N -1.415 114.482 115.700 0.328 0.000 2.556 111 S HA 0.470 5.207 4.470 0.253 -0.116 0.280 111 S C -2.285 172.530 174.600 0.358 0.000 1.141 111 S CA 0.701 59.047 58.200 0.243 0.000 0.883 111 S CB 3.241 66.484 63.200 0.073 0.000 1.103 111 S HN -0.701 7.873 8.310 0.440 0.000 0.453 112 F N -1.219 118.954 119.950 0.372 0.000 2.615 112 F HA 0.592 5.311 4.527 0.227 -0.056 0.312 112 F C -2.604 173.385 175.800 0.315 0.000 1.119 112 F CA -1.294 56.858 58.000 0.252 0.000 0.979 112 F CB 3.641 42.703 39.000 0.103 0.000 1.266 112 F HN 0.984 9.199 8.300 -0.142 0.000 0.444 113 I N -2.656 118.242 120.570 0.546 0.000 2.693 113 I HA 0.805 5.377 4.170 0.543 -0.077 0.303 113 I C -1.615 174.966 176.117 0.772 0.000 1.025 113 I CA -3.264 58.388 61.300 0.587 0.000 1.086 113 I CB 3.077 41.348 38.000 0.451 0.000 1.268 113 I HN 0.211 8.746 8.210 0.542 0.000 0.440 114 C N 0.157 119.934 119.300 0.794 0.000 2.493 114 C HA 0.669 5.653 4.460 0.648 -0.136 0.326 114 C C -1.489 173.928 174.990 0.713 0.000 1.200 114 C CA -3.392 56.062 59.018 0.726 0.000 1.739 114 C CB 3.102 31.224 27.740 0.636 0.000 2.300 114 C HN 0.697 9.404 8.230 0.795 0.000 0.500 115 N N 1.274 120.230 118.700 0.427 0.000 2.448 115 N HA 0.448 5.388 4.740 -0.030 -0.219 0.279 115 N C -2.028 173.490 175.510 0.012 0.000 1.025 115 N CA -0.501 52.533 53.050 -0.027 0.000 0.898 115 N CB 3.895 41.963 38.487 -0.699 0.000 1.303 115 N HN 0.674 9.190 8.380 0.422 0.118 0.495 116 Y N 9.623 129.862 120.300 -0.101 0.000 2.595 116 Y HA 0.040 4.369 4.550 -0.368 0.000 0.347 116 Y C -0.229 175.588 175.900 -0.138 0.000 1.025 116 Y CA 0.876 58.805 58.100 -0.285 0.000 1.295 116 Y CB 0.118 38.276 38.460 -0.503 0.000 1.147 116 Y HN 0.571 9.026 8.280 0.293 0.000 0.515 117 K N 4.669 124.863 120.400 -0.343 0.000 11.134 117 K HA -0.498 3.672 4.320 -0.251 0.000 0.527 117 K C -0.450 176.074 176.600 -0.126 0.000 0.391 117 K CA 3.645 59.796 56.287 -0.227 0.000 1.928 117 K CB -1.444 30.951 32.500 -0.174 0.000 0.781 117 K HN 0.141 8.140 8.250 -0.418 0.000 1.243 118 E N -4.909 115.272 120.200 -0.031 0.000 2.676 118 E HA 0.128 4.432 4.350 -0.076 0.000 0.225 118 E C -1.523 175.081 176.600 0.007 0.000 0.944 118 E CA -0.657 55.742 56.400 -0.002 0.000 1.156 118 E CB 2.224 31.996 29.700 0.120 0.000 1.117 118 E HN -0.123 8.242 8.360 0.063 0.032 0.523 119 H N 1.117 120.120 119.070 -0.111 0.000 2.459 119 H HA 0.347 4.900 4.556 -0.005 0.000 0.332 119 H C -2.068 173.153 175.328 -0.178 0.000 1.094 119 H CA -0.426 55.575 56.048 -0.078 0.000 1.224 119 H CB 2.256 32.029 29.762 0.018 0.000 1.449 119 H HN -0.218 7.988 8.280 0.085 0.125 0.484 120 W N 3.243 124.256 121.300 -0.478 0.000 2.449 120 W HA 0.259 5.095 4.660 0.046 -0.149 0.331 120 W C -1.121 175.071 176.519 -0.545 0.000 1.119 120 W CA -1.367 55.827 57.345 -0.251 0.000 1.240 120 W CB 2.536 31.921 29.460 -0.125 0.000 1.251 120 W HN 0.176 8.237 8.180 -0.199 0.000 0.576 121 F N -1.130 119.095 119.950 0.459 0.000 2.562 121 F HA 0.355 5.092 4.527 0.349 0.000 0.319 121 F C -0.818 175.234 175.800 0.421 0.000 1.154 121 F CA -0.814 57.428 58.000 0.402 0.000 0.931 121 F CB 3.424 42.683 39.000 0.431 0.000 1.198 121 F HN 0.852 9.632 8.300 0.799 0.000 0.444 122 T N 5.920 120.753 114.554 0.465 0.000 2.771 122 T HA 0.197 4.746 4.350 0.331 0.000 0.291 122 T C -1.619 173.215 174.700 0.223 0.000 0.954 122 T CA 0.590 62.881 62.100 0.317 0.000 1.045 122 T CB 0.721 69.734 68.868 0.241 0.000 0.917 122 T HN 1.000 9.393 8.240 0.433 0.107 0.484 123 V N 7.450 127.462 119.914 0.163 0.000 2.350 123 V HA 0.572 4.914 4.120 0.038 -0.200 0.285 123 V C -1.906 174.207 176.094 0.032 0.000 1.014 123 V CA -1.519 60.789 62.300 0.013 0.000 0.831 123 V CB 1.285 32.981 31.823 -0.212 0.000 1.000 123 V HN 0.148 8.467 8.190 0.214 0.000 0.433 124 R N 7.979 128.524 120.500 0.076 0.000 2.686 124 R HA 0.486 4.739 4.340 -0.145 0.000 0.286 124 R C -2.142 173.847 176.300 -0.518 0.000 0.969 124 R CA -2.151 53.868 56.100 -0.135 0.000 0.898 124 R CB 4.666 34.923 30.300 -0.072 0.000 1.183 124 R HN 0.206 8.543 8.270 0.112 0.000 0.456 125 K N 5.473 125.149 120.400 -1.207 0.000 2.258 125 K HA 0.280 3.660 4.320 -1.762 -0.117 0.284 125 K C -1.151 175.088 176.600 -0.602 0.000 1.051 125 K CA -0.199 55.172 56.287 -1.526 0.000 0.923 125 K CB 0.909 32.304 32.500 -1.841 0.000 1.046 125 K HN 0.152 7.808 8.250 -0.990 0.000 0.474 126 L N 5.154 126.170 121.223 -0.347 0.000 2.372 126 L HA 0.209 4.543 4.340 -0.179 -0.101 0.274 126 L C 0.309 177.134 176.870 -0.075 0.000 0.988 126 L CA -1.390 53.360 54.840 -0.150 0.000 0.833 126 L CB -0.132 41.873 42.059 -0.091 0.000 1.236 126 L HN 0.380 8.416 8.230 -0.324 0.000 0.410 127 G N 5.618 114.370 108.800 -0.081 0.000 2.536 127 G HA2 -0.445 3.677 3.960 -0.029 0.000 0.280 127 G HA3 -0.445 3.517 3.960 0.004 0.000 0.280 127 G C -0.542 174.341 174.900 -0.027 0.000 1.152 127 G CA 1.294 46.376 45.100 -0.031 0.000 0.970 127 G HN 0.363 8.785 8.290 -0.100 -0.192 0.549 128 K N 2.876 123.287 120.400 0.019 0.000 2.387 128 K HA -0.016 4.333 4.320 0.048 0.000 0.198 128 K C -1.072 175.578 176.600 0.084 0.000 1.022 128 K CA 0.151 56.467 56.287 0.048 0.000 1.128 128 K CB 0.265 32.798 32.500 0.055 0.000 0.853 128 K HN 0.238 8.510 8.250 0.036 0.000 0.523 129 Q N -2.184 117.646 119.800 0.050 0.000 2.693 129 Q HA 0.216 4.700 4.340 0.240 0.000 0.306 129 Q C -2.433 173.571 176.000 0.006 0.000 0.969 129 Q CA -0.649 55.216 55.803 0.103 0.000 0.757 129 Q CB 4.097 32.852 28.738 0.027 0.000 1.494 129 Q HN -0.698 7.484 8.270 -0.004 0.086 0.459 130 W N -2.664 118.556 121.300 -0.134 0.000 2.781 130 W HA 0.387 5.196 4.660 0.026 -0.132 0.345 130 W C -1.480 174.820 176.519 -0.365 0.000 1.085 130 W CA -1.242 56.029 57.345 -0.122 0.000 1.198 130 W CB 3.791 33.176 29.460 -0.126 0.000 1.423 130 W HN -0.121 8.142 8.180 0.139 0.000 0.532 131 F N -1.814 118.170 119.950 0.057 0.000 2.547 131 F HA 0.474 5.146 4.527 -0.050 -0.175 0.316 131 F C -1.037 174.718 175.800 -0.075 0.000 1.121 131 F CA -1.456 56.518 58.000 -0.042 0.000 0.911 131 F CB 4.345 43.298 39.000 -0.079 0.000 1.179 131 F HN 0.465 8.940 8.300 0.293 0.000 0.443 132 N N 3.487 122.186 118.700 -0.001 0.000 2.488 132 N HA 0.370 5.250 4.740 -0.046 -0.167 0.274 132 N C -1.618 173.912 175.510 0.032 0.000 1.111 132 N CA 0.219 53.248 53.050 -0.034 0.000 0.974 132 N CB 1.630 40.042 38.487 -0.124 0.000 1.089 132 N HN 0.686 8.928 8.380 -0.076 0.092 0.465 133 L N 4.178 125.445 121.223 0.074 0.000 2.406 133 L HA 0.484 4.875 4.340 -0.163 -0.149 0.270 133 L C -1.795 175.165 176.870 0.149 0.000 0.982 133 L CA -1.044 53.799 54.840 0.005 0.000 0.843 133 L CB 2.014 44.091 42.059 0.030 0.000 1.225 133 L HN 0.889 9.092 8.230 0.132 0.106 0.412 134 N N 2.776 121.528 118.700 0.087 0.000 2.471 134 N HA 0.367 5.173 4.740 0.110 0.000 0.288 134 N C 0.869 176.245 175.510 -0.225 0.000 1.220 134 N CA -1.860 51.226 53.050 0.061 0.000 0.893 134 N CB 2.350 40.978 38.487 0.236 0.000 1.256 134 N HN 0.246 8.630 8.380 0.006 0.000 0.534 135 S N 2.141 117.612 115.700 -0.382 0.000 2.359 135 S HA -0.271 3.397 4.470 -1.337 0.000 0.223 135 S C -0.655 173.844 174.600 -0.170 0.000 1.039 135 S CA 3.516 61.421 58.200 -0.491 0.000 1.042 135 S CB 0.131 63.395 63.200 0.107 0.000 0.915 135 S HN 0.492 8.653 8.310 -0.248 0.000 0.439 136 L N -3.573 117.637 121.223 -0.021 0.000 2.872 136 L HA 0.232 4.571 4.340 -0.001 0.000 0.245 136 L C -0.627 176.266 176.870 0.039 0.000 1.211 136 L CA -1.931 52.918 54.840 0.015 0.000 1.013 136 L CB -1.470 40.608 42.059 0.031 0.000 1.326 136 L HN -0.150 8.102 8.230 0.036 0.000 0.525 137 L N 1.891 123.136 121.223 0.037 0.000 2.462 137 L HA -0.027 4.341 4.340 0.046 0.000 0.272 137 L C 1.346 178.240 176.870 0.039 0.000 1.166 137 L CA 0.649 55.507 54.840 0.030 0.000 0.880 137 L CB 0.373 42.416 42.059 -0.026 0.000 1.142 137 L HN -0.603 7.417 8.230 0.007 0.215 0.473 138 T N 1.065 115.633 114.554 0.024 0.000 2.918 138 T HA -0.238 4.137 4.350 0.042 0.000 0.271 138 T C 0.055 174.771 174.700 0.027 0.000 1.104 138 T CA 2.068 64.185 62.100 0.028 0.000 1.114 138 T CB 0.183 69.059 68.868 0.013 0.000 0.855 138 T HN 0.573 8.826 8.240 0.022 0.000 0.518 139 G N 0.024 108.781 108.800 -0.072 0.000 2.520 139 G HA2 0.005 3.822 3.960 -0.239 0.000 0.067 139 G HA3 0.005 3.923 3.960 -0.070 0.000 0.067 139 G C -3.375 171.248 174.900 -0.462 0.000 0.977 139 G CA -0.137 44.825 45.100 -0.231 0.000 1.152 139 G HN -0.371 7.803 8.290 -0.096 0.058 0.479 140 P HA 0.570 5.067 4.420 -0.098 -0.136 0.297 140 P C -1.943 175.451 177.300 0.157 0.000 1.319 140 P CA -1.473 61.587 63.100 -0.066 0.000 0.810 140 P CB 0.851 32.410 31.700 -0.235 0.000 0.947 141 E N 5.692 125.991 120.200 0.165 0.000 2.092 141 E HA 0.261 4.644 4.350 0.055 0.000 0.271 141 E C -1.277 175.278 176.600 -0.076 0.000 0.919 141 E CA -2.313 54.122 56.400 0.058 0.000 0.760 141 E CB 1.548 31.237 29.700 -0.018 0.000 1.106 141 E HN 0.540 8.972 8.360 0.120 0.000 0.408 142 L N 6.996 128.090 121.223 -0.215 0.000 2.483 142 L HA -0.052 3.353 4.340 -1.558 0.000 0.276 142 L C -0.480 176.085 176.870 -0.508 0.000 1.213 142 L CA 1.211 55.651 54.840 -0.666 0.000 0.843 142 L CB 0.887 42.709 42.059 -0.394 0.000 1.107 142 L HN 0.429 8.624 8.230 -0.059 0.000 0.487 143 I N 5.339 125.594 120.570 -0.525 0.000 2.563 143 I HA 0.161 4.134 4.170 -0.328 0.000 0.285 143 I C -1.654 174.386 176.117 -0.127 0.000 1.123 143 I CA -0.857 60.283 61.300 -0.266 0.000 1.059 143 I CB 2.821 40.735 38.000 -0.143 0.000 1.229 143 I HN -0.075 7.689 8.210 -0.742 0.000 0.442 144 S N 5.221 120.884 115.700 -0.062 0.000 2.579 144 S HA -0.170 4.291 4.470 -0.014 0.000 0.275 144 S C 1.108 175.769 174.600 0.101 0.000 1.345 144 S CA -0.383 57.830 58.200 0.021 0.000 1.031 144 S CB 1.075 64.296 63.200 0.035 0.000 0.892 144 S HN 0.198 8.436 8.310 -0.120 0.000 0.529 145 D N 3.876 124.340 120.400 0.106 0.000 2.192 145 D HA -0.394 4.340 4.640 0.156 0.000 0.189 145 D C 1.865 178.215 176.300 0.083 0.000 1.007 145 D CA 4.634 58.704 54.000 0.116 0.000 0.859 145 D CB -0.163 40.700 40.800 0.105 0.000 0.936 145 D HN 0.736 9.161 8.370 0.091 0.000 0.447 146 T N -3.539 111.066 114.554 0.085 0.000 2.896 146 T HA -0.283 4.090 4.350 0.038 0.000 0.263 146 T C 1.846 176.589 174.700 0.071 0.000 1.050 146 T CA 2.912 65.049 62.100 0.063 0.000 1.140 146 T CB 0.454 69.356 68.868 0.056 0.000 0.877 146 T HN -0.466 7.821 8.240 0.089 0.006 0.457 147 Y N 1.804 122.106 120.300 0.004 0.000 2.497 147 Y HA -0.237 4.322 4.550 0.015 0.000 0.292 147 Y C 0.904 176.829 175.900 0.041 0.000 1.137 147 Y CA 2.439 60.546 58.100 0.011 0.000 1.285 147 Y CB -0.429 38.023 38.460 -0.012 0.000 0.991 147 Y HN -0.365 7.971 8.280 0.223 0.078 0.556 148 L N 0.882 122.198 121.223 0.156 0.000 2.007 148 L HA -0.394 4.086 4.340 0.233 0.000 0.205 148 L C 1.167 178.088 176.870 0.085 0.000 1.073 148 L CA 2.972 57.886 54.840 0.124 0.000 0.744 148 L CB -0.600 41.428 42.059 -0.051 0.000 0.898 148 L HN 0.057 8.212 8.230 0.135 0.155 0.435 149 A N -2.254 120.567 122.820 0.002 0.000 2.093 149 A HA -0.388 3.920 4.320 -0.019 0.000 0.222 149 A C 2.097 179.640 177.584 -0.069 0.000 1.162 149 A CA 2.940 54.961 52.037 -0.026 0.000 0.655 149 A CB -0.858 18.126 19.000 -0.027 0.000 0.805 149 A HN -0.388 7.759 8.150 -0.005 0.000 0.461 150 L N -1.736 119.414 121.223 -0.122 0.000 2.084 150 L HA -0.218 3.997 4.340 -0.208 0.000 0.202 150 L C 0.961 177.694 176.870 -0.229 0.000 1.074 150 L CA 2.328 57.013 54.840 -0.257 0.000 0.757 150 L CB 0.127 41.867 42.059 -0.532 0.000 0.918 150 L HN -0.668 7.380 8.230 -0.084 0.132 0.444 151 F N 0.978 120.753 119.950 -0.293 0.000 2.043 151 F HA -0.501 3.903 4.527 -0.206 0.000 0.297 151 F C 1.535 177.248 175.800 -0.146 0.000 1.118 151 F CA 3.705 61.602 58.000 -0.171 0.000 1.202 151 F CB -0.149 38.840 39.000 -0.018 0.000 0.965 151 F HN 0.291 8.449 8.300 -0.032 0.123 0.482 152 L N -3.304 117.716 121.223 -0.338 0.000 2.046 152 L HA -0.402 3.526 4.340 -0.685 0.000 0.208 152 L C 2.435 179.147 176.870 -0.264 0.000 1.077 152 L CA 2.574 57.202 54.840 -0.352 0.000 0.747 152 L CB -2.054 40.025 42.059 0.033 0.000 0.896 152 L HN 0.362 8.598 8.230 0.009 0.000 0.432 153 A N -1.435 121.267 122.820 -0.196 0.000 1.933 153 A HA -0.426 3.782 4.320 -0.187 0.000 0.218 153 A C 2.293 179.753 177.584 -0.206 0.000 1.175 153 A CA 2.987 54.913 52.037 -0.185 0.000 0.628 153 A CB -0.679 18.232 19.000 -0.148 0.000 0.814 153 A HN -0.552 7.501 8.150 -0.161 0.000 0.444 154 Q N -1.853 117.799 119.800 -0.247 0.000 2.167 154 Q HA -0.308 3.939 4.340 -0.156 0.000 0.202 154 Q C 2.634 178.483 176.000 -0.253 0.000 0.970 154 Q CA 2.342 58.010 55.803 -0.224 0.000 0.855 154 Q CB -0.427 28.176 28.738 -0.225 0.000 0.911 154 Q HN -0.149 7.960 8.270 -0.268 0.000 0.438 155 L N -0.928 120.040 121.223 -0.425 0.000 1.989 155 L HA -0.434 3.548 4.340 -0.595 0.000 0.211 155 L C 2.454 179.290 176.870 -0.056 0.000 1.071 155 L CA 3.234 57.825 54.840 -0.414 0.000 0.749 155 L CB -0.662 41.046 42.059 -0.584 0.000 0.890 155 L HN -0.120 7.680 8.230 -0.514 0.121 0.431 156 Q N -3.511 116.212 119.800 -0.129 0.000 2.224 156 Q HA -0.262 4.038 4.340 -0.066 0.000 0.203 156 Q C 2.324 178.285 176.000 -0.066 0.000 0.970 156 Q CA 2.373 58.114 55.803 -0.103 0.000 0.865 156 Q CB 0.011 28.633 28.738 -0.193 0.000 0.922 156 Q HN -0.520 7.628 8.270 -0.204 0.000 0.445 157 Q N -3.184 116.576 119.800 -0.067 0.000 2.424 157 Q HA -0.106 4.207 4.340 -0.045 0.000 0.204 157 Q C 0.855 176.866 176.000 0.018 0.000 0.933 157 Q CA 1.540 57.319 55.803 -0.040 0.000 0.929 157 Q CB 0.202 28.903 28.738 -0.063 0.000 1.037 157 Q HN -0.528 7.558 8.270 -0.102 0.123 0.511 158 E N -1.004 119.247 120.200 0.085 0.000 2.372 158 E HA 0.003 4.436 4.350 0.138 0.000 0.201 158 E C 0.144 176.921 176.600 0.296 0.000 0.938 158 E CA -0.479 56.043 56.400 0.202 0.000 0.944 158 E CB 2.009 31.876 29.700 0.279 0.000 0.937 158 E HN -0.476 7.733 8.360 0.072 0.195 0.495 159 G N -2.259 106.685 108.800 0.240 0.000 2.188 159 G HA2 -0.238 3.705 3.960 -0.029 0.000 0.112 159 G HA3 -0.238 3.710 3.960 -0.020 0.000 0.112 159 G C -1.202 173.664 174.900 -0.057 0.000 1.048 159 G CA -0.244 44.882 45.100 0.043 0.000 0.720 159 G HN -0.122 8.298 8.290 0.218 0.000 0.487 160 Y N 0.255 120.553 120.300 -0.004 0.000 2.326 160 Y HA 0.026 4.619 4.550 0.072 0.000 0.337 160 Y C -0.479 175.360 175.900 -0.102 0.000 1.023 160 Y CA -0.897 57.209 58.100 0.011 0.000 1.143 160 Y CB 1.012 39.478 38.460 0.010 0.000 1.183 160 Y HN 0.131 8.507 8.280 0.342 0.109 0.485 161 S N 5.916 121.608 115.700 -0.013 0.000 2.411 161 S HA 0.161 4.480 4.470 -0.252 0.000 0.304 161 S C -1.114 173.268 174.600 -0.364 0.000 1.098 161 S CA -0.090 57.983 58.200 -0.212 0.000 1.068 161 S CB -0.267 62.861 63.200 -0.120 0.000 1.032 161 S HN 0.299 8.588 8.310 -0.035 0.000 0.511 162 I N 4.228 124.569 120.570 -0.382 0.000 2.577 162 I HA 0.026 4.254 4.170 0.096 0.000 0.300 162 I C -1.013 174.799 176.117 -0.508 0.000 0.990 162 I CA -0.186 61.006 61.300 -0.180 0.000 1.283 162 I CB 1.631 39.676 38.000 0.075 0.000 1.411 162 I HN -0.137 7.894 8.210 -0.299 0.000 0.515 163 F N 3.045 123.151 119.950 0.261 0.000 2.617 163 F HA 0.499 5.276 4.527 0.149 -0.161 0.325 163 F C -1.134 174.787 175.800 0.203 0.000 1.179 163 F CA -1.440 56.684 58.000 0.207 0.000 0.965 163 F CB 3.102 42.251 39.000 0.247 0.000 1.232 163 F HN 0.107 8.631 8.300 0.372 0.000 0.461 164 V N 3.939 123.994 119.914 0.234 0.000 2.320 164 V HA 0.151 4.470 4.120 0.332 0.000 0.265 164 V C -0.663 175.558 176.094 0.212 0.000 1.048 164 V CA -1.000 61.410 62.300 0.183 0.000 0.865 164 V CB 0.306 32.110 31.823 -0.032 0.000 1.043 164 V HN 0.989 9.178 8.190 0.182 0.110 0.474 165 V N 10.536 130.608 119.914 0.265 0.000 2.485 165 V HA -0.098 4.280 4.120 0.145 -0.171 0.287 165 V C -0.508 175.691 176.094 0.175 0.000 1.022 165 V CA 1.038 63.448 62.300 0.184 0.000 1.067 165 V CB 0.120 32.034 31.823 0.151 0.000 0.967 165 V HN 0.307 8.707 8.190 0.350 0.000 0.479 166 K N 7.051 127.530 120.400 0.132 0.000 2.323 166 K HA 0.473 4.882 4.320 0.148 0.000 0.259 166 K C -0.452 176.211 176.600 0.106 0.000 0.947 166 K CA -2.000 54.363 56.287 0.127 0.000 0.819 166 K CB 2.020 34.591 32.500 0.117 0.000 1.109 166 K HN 0.764 8.964 8.250 0.112 0.117 0.429 167 G N 2.459 111.321 108.800 0.105 0.000 2.315 167 G HA2 -0.266 3.744 3.960 0.083 0.000 0.296 167 G HA3 -0.266 3.745 3.960 0.086 0.000 0.296 167 G C -2.877 172.072 174.900 0.082 0.000 1.289 167 G CA -0.445 44.708 45.100 0.088 0.000 0.996 167 G HN 0.178 8.537 8.290 0.116 0.000 0.487 168 D N -0.599 119.846 120.400 0.075 0.000 2.249 168 D HA 0.187 4.864 4.640 0.062 0.000 0.246 168 D C -0.453 175.889 176.300 0.070 0.000 1.114 168 D CA 0.039 54.079 54.000 0.067 0.000 0.854 168 D CB 0.882 41.718 40.800 0.059 0.000 1.132 168 D HN 0.033 8.448 8.370 0.076 0.000 0.461 169 L N 5.743 126.998 121.223 0.053 0.000 2.352 169 L HA 0.447 4.811 4.340 0.041 0.000 0.269 169 L C -2.050 174.846 176.870 0.043 0.000 1.034 169 L CA -3.504 51.359 54.840 0.038 0.000 0.806 169 L CB 2.031 44.099 42.059 0.014 0.000 1.244 169 L HN 0.003 8.260 8.230 0.046 0.000 0.447 170 P HA 0.005 4.476 4.420 0.086 0.000 0.266 170 P C -1.639 175.693 177.300 0.055 0.000 1.419 170 P CA -0.266 62.881 63.100 0.078 0.000 1.112 170 P CB -0.933 30.836 31.700 0.114 0.000 1.438 171 D N 3.051 123.469 120.400 0.030 0.000 2.450 171 D HA -0.204 4.629 4.640 -0.014 -0.202 0.247 171 D C 0.578 176.874 176.300 -0.008 0.000 1.162 171 D CA 0.978 54.978 54.000 0.001 0.000 0.879 171 D CB 0.580 41.379 40.800 -0.002 0.000 1.163 171 D HN -0.431 7.960 8.370 0.036 0.000 0.472 172 C N 4.211 123.492 119.300 -0.031 0.000 2.349 172 C HA 0.367 4.799 4.460 -0.046 0.000 0.361 172 C C 1.078 176.046 174.990 -0.037 0.000 1.189 172 C CA -2.837 56.153 59.018 -0.046 0.000 2.155 172 C CB 3.158 30.856 27.740 -0.070 0.000 2.336 172 C HN 0.514 9.121 8.230 -0.038 -0.400 0.540 173 E N 1.613 121.794 120.200 -0.031 0.000 2.401 173 E HA -0.291 4.046 4.350 -0.023 0.000 0.199 173 E C 1.396 177.978 176.600 -0.030 0.000 1.023 173 E CA 3.141 59.526 56.400 -0.024 0.000 0.859 173 E CB -0.780 28.910 29.700 -0.017 0.000 0.780 173 E HN 0.778 9.117 8.360 -0.036 0.000 0.523 174 A N -1.708 121.090 122.820 -0.036 0.000 1.933 174 A HA -0.318 3.966 4.320 -0.060 0.000 0.218 174 A C 0.546 178.088 177.584 -0.070 0.000 1.175 174 A CA 2.664 54.665 52.037 -0.060 0.000 0.628 174 A CB -0.691 18.267 19.000 -0.069 0.000 0.814 174 A HN 0.134 8.197 8.150 -0.030 0.069 0.444 175 D N -3.584 116.777 120.400 -0.066 0.000 2.224 175 D HA -0.304 4.273 4.640 -0.084 0.013 0.205 175 D C 1.781 178.055 176.300 -0.043 0.000 0.965 175 D CA 3.317 57.275 54.000 -0.070 0.000 0.852 175 D CB 0.240 40.993 40.800 -0.079 0.000 0.947 175 D HN -0.540 7.776 8.370 -0.059 0.018 0.494 176 Q N -1.991 117.789 119.800 -0.033 0.000 2.212 176 Q HA -0.106 4.224 4.340 -0.016 0.000 0.199 176 Q C 1.491 177.482 176.000 -0.016 0.000 0.950 176 Q CA 2.522 58.313 55.803 -0.020 0.000 0.863 176 Q CB 0.332 29.060 28.738 -0.016 0.000 0.944 176 Q HN -0.687 7.427 8.270 -0.035 0.135 0.465 177 L N -1.629 119.580 121.223 -0.023 0.000 2.872 177 L HA 0.166 4.499 4.340 -0.011 0.000 0.245 177 L C -0.190 176.668 176.870 -0.021 0.000 1.211 177 L CA -0.630 54.198 54.840 -0.019 0.000 1.013 177 L CB -0.193 41.852 42.059 -0.023 0.000 1.326 177 L HN -0.317 7.797 8.230 -0.031 0.097 0.525 178 L N -1.025 120.189 121.223 -0.014 0.000 2.653 178 L HA 0.197 4.538 4.340 0.002 0.000 0.231 178 L C 0.842 177.735 176.870 0.038 0.000 1.153 178 L CA -0.984 53.863 54.840 0.011 0.000 0.933 178 L CB -1.229 40.845 42.059 0.025 0.000 1.175 178 L HN -0.628 7.516 8.230 -0.017 0.076 0.473 179 Q N -1.836 117.976 119.800 0.021 0.000 2.369 179 Q HA -0.168 4.191 4.340 0.031 0.000 0.206 179 Q C -0.097 175.919 176.000 0.027 0.000 0.963 179 Q CA 0.891 56.708 55.803 0.025 0.000 0.894 179 Q CB 0.043 28.790 28.738 0.015 0.000 0.965 179 Q HN 0.050 8.247 8.270 0.009 0.078 0.475 180 M N 0.639 120.254 119.600 0.025 0.000 2.061 180 M HA 0.127 4.621 4.480 0.024 0.000 0.346 180 M C -1.754 174.571 176.300 0.041 0.000 1.112 180 M CA -0.265 55.050 55.300 0.024 0.000 1.021 180 M CB 0.762 33.369 32.600 0.011 0.000 1.530 180 M HN -0.826 7.424 8.290 0.019 0.051 0.437 181 I N 2.365 122.965 120.570 0.049 0.000 2.447 181 I HA 0.256 4.479 4.170 0.088 0.000 0.287 181 I C -0.343 175.801 176.117 0.044 0.000 1.023 181 I CA -1.320 60.022 61.300 0.071 0.000 1.083 181 I CB 1.886 39.940 38.000 0.090 0.000 1.245 181 I HN 0.203 8.436 8.210 0.039 0.000 0.434 182 R N 0.000 120.525 120.500 0.042 0.000 2.786 182 R HA 0.000 4.353 4.340 0.022 0.000 0.208 182 R CA 0.000 56.115 56.100 0.025 0.000 0.921 182 R CB 0.000 30.311 30.300 0.019 0.000 0.687 182 R HN 0.000 8.302 8.270 0.054 0.000 0.535