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 3cfd_1_L DATA FIRST_RESID 1 DATA SEQUENCE DIQMTQTTSS LSASLGDRVT IScRASQDIS NYLNWYQQKP DGTVKLLIYY DATA SEQUENCE TSRLHSGVPS RFSGSGSGTD YSLTISNLDQ DDIATYFcQQ GTTLPPTFGG DATA SEQUENCE GTKLEIKRAD AAPTVSIFPP SSEQLTSGGA SVVcFLNNFY PKDINVKWKI DATA SEQUENCE DGSERQNGVL NSWTDQDSKD STYSMSSTLT LTKDEYERHN SYTcEATHKT DATA SEQUENCE STSPIVKSFN RNE 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 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1 D C 0.000 176.284 176.300 -0.026 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 2 I N 1.684 122.232 120.570 -0.037 0.000 2.452 2 I HA 0.128 4.298 4.170 0.001 0.000 0.287 2 I C 0.635 176.729 176.117 -0.038 0.000 1.079 2 I CA -0.079 61.200 61.300 -0.035 0.000 1.387 2 I CB 0.788 38.761 38.000 -0.045 0.000 1.404 2 I HN 0.182 8.392 8.210 0.000 0.000 0.522 3 Q N 7.238 127.024 119.800 -0.023 0.000 2.279 3 Q HA 0.350 4.690 4.340 0.001 0.000 0.256 3 Q C -1.124 174.863 176.000 -0.023 0.000 0.937 3 Q CA -0.745 55.045 55.803 -0.022 0.000 0.933 3 Q CB 0.970 29.701 28.738 -0.011 0.000 1.189 3 Q HN 0.485 8.755 8.270 0.000 0.000 0.417 4 M N 3.217 122.796 119.600 -0.035 0.000 2.149 4 M HA 0.331 4.811 4.480 0.001 0.000 0.342 4 M C -0.861 175.430 176.300 -0.015 0.000 1.068 4 M CA -0.348 54.930 55.300 -0.037 0.000 0.991 4 M CB 1.232 33.783 32.600 -0.082 0.000 1.596 4 M HN 0.463 8.753 8.290 0.000 0.000 0.439 5 T N 3.535 118.096 114.554 0.012 0.000 2.786 5 T HA 0.456 4.806 4.350 0.001 0.000 0.283 5 T C -0.133 174.605 174.700 0.063 0.000 0.992 5 T CA -0.631 61.487 62.100 0.030 0.000 0.954 5 T CB 1.259 70.146 68.868 0.033 0.000 0.934 5 T HN 0.483 8.723 8.240 0.000 0.000 0.440 6 Q N 1.977 121.825 119.800 0.079 0.000 2.431 6 Q HA 0.242 4.582 4.340 0.001 0.000 0.249 6 Q C 1.239 177.306 176.000 0.112 0.000 1.025 6 Q CA -0.498 55.386 55.803 0.134 0.000 0.835 6 Q CB 0.900 29.753 28.738 0.192 0.000 1.207 6 Q HN 0.870 9.140 8.270 0.000 0.000 0.490 7 T N -1.767 112.847 114.554 0.100 0.000 2.833 7 T HA -0.082 4.269 4.350 0.001 0.000 0.269 7 T C 0.955 175.702 174.700 0.078 0.000 1.054 7 T CA 0.766 62.911 62.100 0.076 0.000 1.135 7 T CB -0.001 68.905 68.868 0.063 0.000 0.869 7 T HN 0.305 8.545 8.240 0.000 0.000 0.466 8 T N 2.268 116.880 114.554 0.098 0.000 2.744 8 T HA 0.447 4.797 4.350 0.001 0.000 0.291 8 T C 0.977 175.748 174.700 0.119 0.000 0.957 8 T CA -0.482 61.674 62.100 0.095 0.000 1.002 8 T CB 1.538 70.461 68.868 0.091 0.000 0.919 8 T HN 0.372 8.612 8.240 0.000 0.000 0.468 9 S N 1.686 117.447 115.700 0.102 0.000 2.483 9 S HA 0.202 4.672 4.470 0.001 0.000 0.221 9 S C 0.879 175.550 174.600 0.118 0.000 1.030 9 S CA -0.419 57.852 58.200 0.118 0.000 0.925 9 S CB 0.444 63.698 63.200 0.091 0.000 0.795 9 S HN 0.450 8.760 8.310 0.000 0.000 0.511 10 S N 1.418 117.173 115.700 0.092 0.000 2.521 10 S HA 0.783 5.253 4.470 0.001 0.000 0.295 10 S C -1.501 173.148 174.600 0.082 0.000 1.098 10 S CA -0.554 57.696 58.200 0.084 0.000 0.999 10 S CB 1.798 65.029 63.200 0.052 0.000 1.034 10 S HN 0.296 8.606 8.310 0.000 0.000 0.483 11 L N 2.746 124.025 121.223 0.093 0.000 2.493 11 L HA 0.732 5.072 4.340 0.001 0.000 0.265 11 L C -0.915 176.009 176.870 0.091 0.000 0.954 11 L CA -0.038 54.851 54.840 0.082 0.000 0.844 11 L CB 2.048 44.156 42.059 0.081 0.000 1.302 11 L HN 0.594 8.824 8.230 0.000 0.000 0.405 12 S N 3.350 119.098 115.700 0.080 0.000 2.647 12 S HA 0.992 5.462 4.470 0.001 0.000 0.300 12 S C -0.968 173.677 174.600 0.076 0.000 1.129 12 S CA 0.252 58.512 58.200 0.101 0.000 1.029 12 S CB 1.081 64.353 63.200 0.121 0.000 1.007 12 S HN 1.142 9.452 8.310 0.000 0.000 0.484 13 A N 3.256 126.117 122.820 0.067 0.000 2.569 13 A HA 0.871 5.191 4.320 0.001 0.000 0.290 13 A C -0.511 177.086 177.584 0.021 0.000 1.136 13 A CA -0.709 51.347 52.037 0.032 0.000 0.710 13 A CB 1.488 20.491 19.000 0.005 0.000 1.303 13 A HN 0.679 8.829 8.150 0.000 0.000 0.413 14 S N -0.171 115.529 115.700 -0.001 0.000 2.646 14 S HA 0.570 5.040 4.470 0.001 0.000 0.276 14 S C 0.030 174.613 174.600 -0.028 0.000 1.222 14 S CA -0.537 57.653 58.200 -0.016 0.000 1.014 14 S CB 0.659 63.847 63.200 -0.021 0.000 0.991 14 S HN 0.532 8.842 8.310 0.000 0.000 0.533 15 L N 1.872 123.075 121.223 -0.034 0.000 2.490 15 L HA 0.298 4.638 4.340 0.001 0.000 0.274 15 L C 1.592 178.436 176.870 -0.043 0.000 1.201 15 L CA 0.749 55.566 54.840 -0.039 0.000 0.869 15 L CB -0.314 41.723 42.059 -0.038 0.000 1.123 15 L HN 1.078 9.308 8.230 0.000 0.000 0.484 16 G N 1.513 110.282 108.800 -0.052 0.000 2.284 16 G HA2 -0.257 3.703 3.960 0.001 0.000 0.247 16 G HA3 -0.257 3.703 3.960 0.001 0.000 0.247 16 G C 0.228 175.090 174.900 -0.063 0.000 1.012 16 G CA 0.024 45.090 45.100 -0.056 0.000 0.618 16 G HN 0.615 8.905 8.290 0.000 0.000 0.521 17 D N 0.145 120.510 120.400 -0.059 0.000 2.363 17 D HA 0.472 5.113 4.640 0.001 0.000 0.240 17 D C 0.940 177.188 176.300 -0.086 0.000 1.236 17 D CA 0.099 54.062 54.000 -0.060 0.000 0.927 17 D CB 0.396 41.168 40.800 -0.047 0.000 1.150 17 D HN 0.567 8.937 8.370 0.000 0.000 0.458 18 R N 0.246 120.696 120.500 -0.083 0.000 2.387 18 R HA 0.529 4.870 4.340 0.001 0.000 0.314 18 R C -1.638 174.601 176.300 -0.101 0.000 0.958 18 R CA -0.648 55.388 56.100 -0.106 0.000 0.846 18 R CB 0.783 31.027 30.300 -0.093 0.000 1.147 18 R HN 0.178 8.448 8.270 0.000 0.000 0.447 19 V N 2.111 121.944 119.914 -0.135 0.000 2.680 19 V HA 0.486 4.606 4.120 0.001 0.000 0.309 19 V C -0.221 175.785 176.094 -0.147 0.000 1.052 19 V CA -0.878 61.348 62.300 -0.123 0.000 0.908 19 V CB 1.876 33.619 31.823 -0.134 0.000 1.001 19 V HN 0.783 8.973 8.190 0.000 0.000 0.431 20 T N 5.115 119.605 114.554 -0.106 0.000 2.792 20 T HA 0.720 5.071 4.350 0.001 0.000 0.280 20 T C -0.467 174.186 174.700 -0.079 0.000 0.990 20 T CA -0.100 61.936 62.100 -0.106 0.000 0.960 20 T CB 0.866 69.695 68.868 -0.064 0.000 0.939 20 T HN 0.497 8.737 8.240 0.000 0.000 0.439 21 I N 3.171 123.669 120.570 -0.120 0.000 2.406 21 I HA 0.443 4.613 4.170 0.001 0.000 0.290 21 I C 0.377 176.560 176.117 0.110 0.000 0.999 21 I CA -0.714 60.573 61.300 -0.022 0.000 1.124 21 I CB 1.923 39.880 38.000 -0.072 0.000 1.289 21 I HN 0.595 8.805 8.210 0.000 0.000 0.441 22 S N 5.147 120.982 115.700 0.225 0.000 2.593 22 S HA 0.717 5.188 4.470 0.001 0.000 0.297 22 S C -0.768 174.067 174.600 0.392 0.000 1.112 22 S CA -0.639 57.738 58.200 0.294 0.000 1.043 22 S CB 1.990 65.290 63.200 0.167 0.000 1.054 22 S HN 0.780 9.090 8.310 0.000 0.000 0.516 23 c N 2.964 121.796 118.600 0.387 0.000 2.686 23 c HA 0.796 5.366 4.570 0.001 0.000 0.318 23 c C -0.736 173.479 174.090 0.209 0.000 1.160 23 c CA -0.446 56.032 56.329 0.250 0.000 1.396 23 c CB 1.029 43.586 42.510 0.079 0.000 1.924 23 c HN 1.148 9.378 8.230 0.000 0.000 0.471 24 R N 3.603 124.184 120.500 0.134 0.000 2.621 24 R HA 0.778 5.118 4.340 0.001 0.000 0.292 24 R C -0.813 175.539 176.300 0.086 0.000 0.969 24 R CA -0.178 55.992 56.100 0.117 0.000 0.887 24 R CB 1.914 32.259 30.300 0.076 0.000 1.180 24 R HN 0.960 9.230 8.270 0.000 0.000 0.450 25 A N 1.373 124.255 122.820 0.104 0.000 2.340 25 A HA 0.323 4.644 4.320 0.001 0.000 0.331 25 A C 0.757 178.368 177.584 0.046 0.000 1.140 25 A CA -0.490 51.584 52.037 0.063 0.000 0.801 25 A CB 1.471 20.520 19.000 0.082 0.000 1.234 25 A HN 0.907 9.057 8.150 0.000 0.000 0.469 26 S N 0.504 116.218 115.700 0.023 0.000 2.447 26 S HA -0.027 4.444 4.470 0.001 0.000 0.233 26 S C 0.666 175.278 174.600 0.020 0.000 1.006 26 S CA 1.120 59.330 58.200 0.017 0.000 0.957 26 S CB -0.448 62.755 63.200 0.006 0.000 0.773 26 S HN 0.938 9.248 8.310 0.000 0.000 0.507 27 Q N -0.141 119.675 119.800 0.027 0.000 2.615 27 Q HA 0.462 4.802 4.340 0.001 0.000 0.298 27 Q C -1.845 174.188 176.000 0.056 0.000 1.023 27 Q CA -1.057 54.765 55.803 0.032 0.000 0.768 27 Q CB 0.540 29.290 28.738 0.020 0.000 1.500 27 Q HN 0.010 8.280 8.270 0.000 0.000 0.441 28 D N 1.157 121.592 120.400 0.058 0.000 2.450 28 D HA 0.097 4.737 4.640 0.001 0.000 0.247 28 D C 0.334 176.697 176.300 0.106 0.000 1.162 28 D CA 0.062 54.113 54.000 0.087 0.000 0.879 28 D CB 0.553 41.393 40.800 0.067 0.000 1.163 28 D HN 0.602 8.972 8.370 0.000 0.000 0.472 29 I N -0.610 120.058 120.570 0.162 0.000 3.947 29 I HA 0.226 4.397 4.170 0.001 0.000 0.327 29 I C 0.109 176.373 176.117 0.245 0.000 1.519 29 I CA -0.660 60.734 61.300 0.157 0.000 1.122 29 I CB -0.096 37.953 38.000 0.081 0.000 1.146 29 I HN 0.151 8.361 8.210 0.000 0.000 0.442 30 S N 2.268 118.111 115.700 0.238 0.000 3.549 30 S HA -0.283 4.187 4.470 0.001 0.000 0.366 30 S C 0.636 175.323 174.600 0.144 0.000 1.012 30 S CA 1.325 59.659 58.200 0.222 0.000 1.141 30 S CB -2.025 61.351 63.200 0.294 0.000 0.910 30 S HN 0.974 9.284 8.310 0.000 0.000 0.471 31 N N -2.751 116.031 118.700 0.136 0.000 2.936 31 N HA -0.221 4.520 4.740 0.001 0.000 0.236 31 N C -0.424 174.930 175.510 -0.260 0.000 0.930 31 N CA 1.476 54.451 53.050 -0.124 0.000 0.966 31 N CB -1.222 36.999 38.487 -0.444 0.000 1.090 31 N HN 0.684 9.064 8.380 0.000 0.000 0.592 32 Y N 0.927 121.242 120.300 0.025 0.000 2.603 32 Y HA 0.387 4.937 4.550 0.001 0.000 0.341 32 Y C 0.115 175.920 175.900 -0.158 0.000 1.272 32 Y CA -0.045 58.100 58.100 0.074 0.000 1.891 32 Y CB 0.078 38.584 38.460 0.076 0.000 1.910 32 Y HN 0.149 8.429 8.280 0.000 0.000 0.432 33 L N 2.834 123.945 121.223 -0.186 0.000 2.409 33 L HA 0.575 4.916 4.340 0.001 0.000 0.272 33 L C -1.384 175.338 176.870 -0.246 0.000 0.980 33 L CA -0.466 54.137 54.840 -0.395 0.000 0.826 33 L CB 1.108 42.620 42.059 -0.910 0.000 1.268 33 L HN 0.244 8.474 8.230 0.000 0.000 0.407 34 N N 3.529 122.088 118.700 -0.235 0.000 2.335 34 N HA 0.503 5.243 4.740 0.001 0.000 0.304 34 N C -1.773 173.576 175.510 -0.267 0.000 1.135 34 N CA -0.269 52.689 53.050 -0.153 0.000 0.817 34 N CB 1.585 40.041 38.487 -0.051 0.000 1.294 34 N HN 0.514 8.894 8.380 0.000 0.000 0.497 35 W N 0.654 121.847 121.300 -0.178 0.000 2.736 35 W HA 0.491 5.152 4.660 0.001 0.000 0.335 35 W C -0.791 175.562 176.519 -0.276 0.000 1.059 35 W CA -0.506 56.812 57.345 -0.045 0.000 1.226 35 W CB 1.149 30.636 29.460 0.043 0.000 1.416 35 W HN 0.364 8.544 8.180 0.000 0.000 0.505 36 Y N 0.977 121.558 120.300 0.467 0.000 2.545 36 Y HA 0.349 4.899 4.550 0.001 0.000 0.348 36 Y C -0.255 175.732 175.900 0.145 0.000 1.002 36 Y CA -1.352 56.900 58.100 0.253 0.000 1.039 36 Y CB 2.302 40.899 38.460 0.228 0.000 1.271 36 Y HN 0.263 8.543 8.280 0.000 0.000 0.467 37 Q N 2.704 122.571 119.800 0.112 0.000 2.333 37 Q HA 0.318 4.659 4.340 0.001 0.000 0.268 37 Q C -1.466 174.384 176.000 -0.250 0.000 1.007 37 Q CA -0.811 54.870 55.803 -0.203 0.000 0.810 37 Q CB 1.681 30.310 28.738 -0.181 0.000 1.264 37 Q HN 0.795 9.065 8.270 0.000 0.000 0.452 38 Q N 4.069 123.607 119.800 -0.437 0.000 2.368 38 Q HA 0.269 4.609 4.340 0.001 0.000 0.263 38 Q C -0.918 174.894 176.000 -0.312 0.000 1.009 38 Q CA -0.749 54.830 55.803 -0.375 0.000 0.818 38 Q CB 0.983 29.397 28.738 -0.538 0.000 1.239 38 Q HN 0.387 8.657 8.270 0.000 0.000 0.464 39 K N 3.744 124.025 120.400 -0.199 0.000 2.219 39 K HA 0.146 4.466 4.320 0.001 0.000 0.258 39 K C -1.841 174.692 176.600 -0.112 0.000 1.008 39 K CA -1.899 54.305 56.287 -0.138 0.000 0.928 39 K CB 0.480 32.929 32.500 -0.085 0.000 0.983 39 K HN 0.460 8.710 8.250 0.000 0.000 0.484 40 P HA -0.152 4.268 4.420 0.000 0.000 0.221 40 P C 0.359 177.636 177.300 -0.039 0.000 1.145 40 P CA 1.160 64.231 63.100 -0.048 0.000 0.795 40 P CB 0.153 31.839 31.700 -0.022 0.000 0.775 41 D N -1.652 118.724 120.400 -0.041 0.000 2.363 41 D HA 0.031 4.672 4.640 0.001 0.000 0.226 41 D C 1.471 177.746 176.300 -0.041 0.000 1.020 41 D CA 0.844 54.824 54.000 -0.033 0.000 0.892 41 D CB -0.939 39.844 40.800 -0.028 0.000 0.900 41 D HN 0.242 8.612 8.370 0.000 0.000 0.531 42 G N -0.019 108.745 108.800 -0.060 0.000 2.194 42 G HA2 -0.257 3.703 3.960 0.001 0.000 0.236 42 G HA3 -0.257 3.703 3.960 0.001 0.000 0.236 42 G C 0.473 175.326 174.900 -0.077 0.000 0.987 42 G CA 0.309 45.367 45.100 -0.070 0.000 0.635 42 G HN 0.787 9.077 8.290 0.000 0.000 0.520 43 T N -0.845 113.668 114.554 -0.068 0.000 2.916 43 T HA 0.576 4.927 4.350 0.001 0.000 0.303 43 T C 0.078 174.732 174.700 -0.076 0.000 1.025 43 T CA 0.015 62.080 62.100 -0.057 0.000 1.142 43 T CB 2.435 71.279 68.868 -0.039 0.000 0.947 43 T HN 0.903 9.143 8.240 0.000 0.000 0.544 44 V N 3.484 123.365 119.914 -0.055 0.000 2.604 44 V HA 0.593 4.713 4.120 0.001 0.000 0.305 44 V C -0.083 176.027 176.094 0.026 0.000 1.043 44 V CA -0.910 61.363 62.300 -0.044 0.000 0.888 44 V CB 1.865 33.646 31.823 -0.070 0.000 0.995 44 V HN 0.935 9.125 8.190 0.000 0.000 0.429 45 K N 3.319 123.760 120.400 0.068 0.000 2.468 45 K HA 0.567 4.888 4.320 0.001 0.000 0.252 45 K C -1.338 175.350 176.600 0.147 0.000 0.932 45 K CA -0.941 55.401 56.287 0.091 0.000 0.794 45 K CB 2.662 35.182 32.500 0.033 0.000 1.241 45 K HN 0.495 8.745 8.250 0.000 0.000 0.428 46 L N 4.355 125.629 121.223 0.084 0.000 2.360 46 L HA 0.163 4.504 4.340 0.001 0.000 0.276 46 L C 0.095 176.924 176.870 -0.069 0.000 1.121 46 L CA 0.500 55.258 54.840 -0.136 0.000 0.845 46 L CB 0.232 42.061 42.059 -0.383 0.000 1.143 46 L HN 0.760 8.990 8.230 0.000 0.000 0.452 47 L N 5.050 126.210 121.223 -0.106 0.000 2.356 47 L HA 0.345 4.685 4.340 0.001 0.000 0.193 47 L C 0.197 177.102 176.870 0.057 0.000 1.087 47 L CA 0.254 55.052 54.840 -0.070 0.000 0.817 47 L CB 0.092 42.068 42.059 -0.139 0.000 1.035 47 L HN 0.461 8.691 8.230 0.000 0.000 0.482 48 I N -0.478 120.147 120.570 0.092 0.000 2.607 48 I HA 0.221 4.391 4.170 0.001 0.000 0.290 48 I C -1.444 174.784 176.117 0.183 0.000 1.129 48 I CA -0.823 60.575 61.300 0.163 0.000 1.042 48 I CB 2.399 40.512 38.000 0.188 0.000 1.242 48 I HN -0.016 8.194 8.210 0.000 0.000 0.421 49 Y N 4.640 124.981 120.300 0.067 0.000 2.509 49 Y HA 0.572 5.123 4.550 0.000 0.000 0.341 49 Y C -0.080 175.912 175.900 0.153 0.000 1.038 49 Y CA -1.929 56.209 58.100 0.064 0.000 1.089 49 Y CB 0.411 38.901 38.460 0.050 0.000 1.241 49 Y HN 0.568 8.848 8.280 0.000 0.000 0.468 50 Y N 2.377 122.671 120.300 -0.010 0.000 3.234 50 Y HA -0.329 4.222 4.550 0.001 0.000 0.207 50 Y C 0.832 176.643 175.900 -0.148 0.000 1.316 50 Y CA 1.256 59.275 58.100 -0.135 0.000 1.309 50 Y CB -1.758 36.611 38.460 -0.152 0.000 1.408 50 Y HN 1.112 9.392 8.280 0.000 0.000 0.544 51 T N -2.810 111.671 114.554 -0.121 0.000 12.788 51 T HA -0.322 4.028 4.350 0.001 0.000 0.415 51 T C 0.847 175.570 174.700 0.039 0.000 1.469 51 T CA 2.825 64.902 62.100 -0.038 0.000 2.411 51 T CB -1.709 67.102 68.868 -0.095 0.000 2.796 51 T HN 1.378 9.618 8.240 0.000 0.000 0.707 52 S N 0.556 116.209 115.700 -0.077 0.000 2.817 52 S HA 0.381 4.851 4.470 0.001 0.000 0.262 52 S C 0.058 174.591 174.600 -0.111 0.000 1.051 52 S CA -0.653 57.515 58.200 -0.053 0.000 1.185 52 S CB 0.606 63.774 63.200 -0.053 0.000 1.152 52 S HN 0.584 8.895 8.310 0.000 0.000 0.653 53 R N 1.098 121.441 120.500 -0.262 0.000 2.308 53 R HA 0.490 4.830 4.340 0.001 0.000 0.305 53 R C -1.075 175.066 176.300 -0.265 0.000 1.053 53 R CA -0.567 55.299 56.100 -0.390 0.000 0.957 53 R CB 0.824 30.622 30.300 -0.838 0.000 1.022 53 R HN 0.217 8.487 8.270 0.000 0.000 0.461 54 L N 3.186 124.391 121.223 -0.031 0.000 2.367 54 L HA 0.075 4.415 4.340 0.001 0.000 0.275 54 L C 0.550 177.599 176.870 0.298 0.000 1.129 54 L CA -0.008 54.900 54.840 0.114 0.000 0.839 54 L CB 0.103 42.215 42.059 0.089 0.000 1.133 54 L HN 0.473 8.703 8.230 0.000 0.000 0.453 55 H N 2.134 121.347 119.070 0.237 0.000 2.707 55 H HA 0.100 4.657 4.556 0.001 0.000 0.359 55 H C 0.292 175.684 175.328 0.108 0.000 1.113 55 H CA 0.029 56.201 56.048 0.206 0.000 1.422 55 H CB 0.840 30.668 29.762 0.110 0.000 1.443 55 H HN 0.618 8.898 8.280 0.000 0.000 0.591 56 S N 2.516 117.914 115.700 -0.503 0.000 2.563 56 S HA 0.235 4.706 4.470 0.001 0.000 0.294 56 S C 1.371 175.792 174.600 -0.299 0.000 1.279 56 S CA 1.121 59.105 58.200 -0.359 0.000 1.069 56 S CB -0.828 62.147 63.200 -0.375 0.000 0.828 56 S HN 1.188 9.498 8.310 0.000 0.000 0.497 57 G N 3.133 111.863 108.800 -0.116 0.000 2.284 57 G HA2 -0.241 3.719 3.960 0.001 0.000 0.230 57 G HA3 -0.241 3.719 3.960 0.001 0.000 0.230 57 G C 0.136 175.036 174.900 -0.000 0.000 1.021 57 G CA -0.061 45.008 45.100 -0.051 0.000 0.619 57 G HN 1.073 9.363 8.290 0.000 0.000 0.510 58 V N 3.678 123.598 119.914 0.010 0.000 2.572 58 V HA 0.390 4.511 4.120 0.001 0.000 0.291 58 V C -1.167 174.994 176.094 0.113 0.000 1.039 58 V CA -0.762 61.562 62.300 0.040 0.000 1.055 58 V CB 0.925 32.754 31.823 0.011 0.000 0.969 58 V HN 0.258 8.448 8.190 0.000 0.000 0.482 59 P HA 0.100 4.520 4.420 0.000 0.000 0.269 59 P C 0.755 178.186 177.300 0.219 0.000 1.209 59 P CA -0.112 63.109 63.100 0.201 0.000 0.776 59 P CB 0.498 32.336 31.700 0.231 0.000 0.876 60 S N 2.277 118.042 115.700 0.107 0.000 2.555 60 S HA -0.146 4.325 4.470 0.001 0.000 0.230 60 S C 1.408 176.025 174.600 0.027 0.000 0.978 60 S CA 0.259 58.501 58.200 0.070 0.000 0.934 60 S CB -0.704 62.516 63.200 0.032 0.000 0.766 60 S HN 0.561 8.871 8.310 0.000 0.000 0.533 61 R N -0.105 120.383 120.500 -0.020 0.000 2.280 61 R HA 0.162 4.502 4.340 0.001 0.000 0.207 61 R C -0.470 175.659 176.300 -0.285 0.000 1.043 61 R CA 0.224 56.225 56.100 -0.164 0.000 1.006 61 R CB -0.542 29.615 30.300 -0.239 0.000 0.885 61 R HN 0.385 8.655 8.270 0.000 0.000 0.467 62 F N 2.077 121.992 119.950 -0.058 0.000 2.410 62 F HA 0.287 4.814 4.527 0.000 0.000 0.348 62 F C 0.591 176.341 175.800 -0.083 0.000 1.106 62 F CA -0.139 57.808 58.000 -0.088 0.000 1.163 62 F CB 1.540 40.507 39.000 -0.055 0.000 1.129 62 F HN 0.109 8.409 8.300 0.000 0.000 0.516 63 S N 1.748 117.469 115.700 0.035 0.000 2.607 63 S HA 0.950 5.420 4.470 0.001 0.000 0.273 63 S C -0.792 173.778 174.600 -0.050 0.000 1.148 63 S CA -0.679 57.519 58.200 -0.003 0.000 0.833 63 S CB 1.864 65.047 63.200 -0.028 0.000 1.130 63 S HN 0.968 9.278 8.310 0.000 0.000 0.470 64 G N 0.240 109.033 108.800 -0.011 0.000 2.659 64 G HA2 0.736 4.696 3.960 0.001 0.000 0.296 64 G HA3 0.736 4.696 3.960 0.001 0.000 0.296 64 G C -0.895 174.046 174.900 0.069 0.000 1.369 64 G CA -0.333 44.787 45.100 0.032 0.000 0.937 64 G HN 1.583 9.873 8.290 0.000 0.000 0.485 65 S N -0.930 114.843 115.700 0.123 0.000 2.705 65 S HA 0.991 5.462 4.470 0.001 0.000 0.280 65 S C -0.024 174.669 174.600 0.154 0.000 1.174 65 S CA -0.247 58.007 58.200 0.090 0.000 0.823 65 S CB 1.751 64.965 63.200 0.023 0.000 1.162 65 S HN 2.597 10.907 8.310 0.000 0.000 0.487 66 G N -0.208 108.609 108.800 0.029 0.000 2.347 66 G HA2 0.485 4.446 3.960 0.001 0.000 0.477 66 G HA3 0.485 4.446 3.960 0.001 0.000 0.477 66 G C -0.790 173.961 174.900 -0.247 0.000 1.349 66 G CA -0.013 44.983 45.100 -0.174 0.000 1.000 66 G HN 2.198 10.488 8.290 0.000 0.000 0.605 67 S N -1.371 114.010 115.700 -0.531 0.000 2.587 67 S HA 0.947 5.417 4.470 0.001 0.000 0.269 67 S C 1.076 175.440 174.600 -0.392 0.000 1.154 67 S CA 0.663 58.675 58.200 -0.315 0.000 0.824 67 S CB 1.241 64.354 63.200 -0.146 0.000 1.118 67 S HN 3.022 11.332 8.310 0.000 0.000 0.462 68 G N 1.703 110.439 108.800 -0.108 0.000 2.620 68 G HA2 -0.385 3.576 3.960 0.001 0.000 0.315 68 G HA3 -0.385 3.576 3.960 0.001 0.000 0.315 68 G C 1.003 175.909 174.900 0.010 0.000 1.179 68 G CA 1.990 47.067 45.100 -0.037 0.000 0.971 68 G HN 2.224 10.514 8.290 0.000 0.000 0.544 69 T N -1.986 112.532 114.554 -0.061 0.000 3.015 69 T HA 0.392 4.743 4.350 0.001 0.000 0.250 69 T C 0.263 174.939 174.700 -0.040 0.000 1.057 69 T CA 1.230 63.353 62.100 0.038 0.000 1.066 69 T CB 0.384 69.268 68.868 0.027 0.000 0.959 69 T HN 0.447 8.687 8.240 0.000 0.000 0.488 70 D N 1.072 121.274 120.400 -0.330 0.000 2.256 70 D HA 0.567 5.207 4.640 0.001 0.000 0.240 70 D C -1.227 174.693 176.300 -0.634 0.000 1.062 70 D CA -0.309 53.525 54.000 -0.277 0.000 0.832 70 D CB 0.975 41.679 40.800 -0.160 0.000 1.135 70 D HN 0.316 8.686 8.370 0.000 0.000 0.484 71 Y N -0.172 120.184 120.300 0.093 0.000 2.553 71 Y HA 0.526 5.076 4.550 0.000 0.000 0.347 71 Y C 0.145 176.219 175.900 0.289 0.000 1.019 71 Y CA -0.939 57.260 58.100 0.164 0.000 1.032 71 Y CB 2.164 40.706 38.460 0.137 0.000 1.284 71 Y HN 0.279 8.559 8.280 0.000 0.000 0.466 72 S N 1.672 117.648 115.700 0.460 0.000 2.541 72 S HA 0.707 5.178 4.470 0.001 0.000 0.280 72 S C -1.905 172.759 174.600 0.106 0.000 1.112 72 S CA -0.788 57.602 58.200 0.317 0.000 0.925 72 S CB 1.842 65.110 63.200 0.112 0.000 1.067 72 S HN 0.625 8.935 8.310 0.000 0.000 0.479 73 L N 2.234 123.205 121.223 -0.421 0.000 2.295 73 L HA 0.728 5.068 4.340 0.001 0.000 0.285 73 L C -0.585 176.017 176.870 -0.446 0.000 1.035 73 L CA 0.339 54.668 54.840 -0.851 0.000 0.806 73 L CB 1.603 42.575 42.059 -1.811 0.000 1.214 73 L HN 0.893 9.123 8.230 0.000 0.000 0.426 74 T N 6.797 121.169 114.554 -0.304 0.000 2.786 74 T HA 0.578 4.928 4.350 0.001 0.000 0.283 74 T C -0.224 174.315 174.700 -0.267 0.000 0.992 74 T CA -0.068 61.892 62.100 -0.233 0.000 0.954 74 T CB 0.471 69.248 68.868 -0.152 0.000 0.934 74 T HN 0.436 8.676 8.240 0.000 0.000 0.440 75 I N 3.559 123.930 120.570 -0.332 0.000 2.328 75 I HA 0.394 4.564 4.170 0.001 0.000 0.287 75 I C 0.705 176.610 176.117 -0.353 0.000 1.012 75 I CA -0.635 60.374 61.300 -0.485 0.000 1.195 75 I CB 1.208 38.867 38.000 -0.568 0.000 1.350 75 I HN 0.590 8.800 8.210 0.000 0.000 0.464 76 S N 3.974 119.476 115.700 -0.330 0.000 2.718 76 S HA 0.431 4.902 4.470 0.001 0.000 0.300 76 S C 0.429 174.900 174.600 -0.214 0.000 1.117 76 S CA -0.728 57.340 58.200 -0.220 0.000 1.002 76 S CB 1.353 64.456 63.200 -0.161 0.000 1.092 76 S HN 0.722 9.032 8.310 0.000 0.000 0.542 77 N N -0.262 118.350 118.700 -0.146 0.000 2.686 77 N HA -0.164 4.577 4.740 0.001 0.000 0.261 77 N C -0.676 174.753 175.510 -0.135 0.000 1.001 77 N CA 0.188 53.167 53.050 -0.119 0.000 0.764 77 N CB -1.518 36.907 38.487 -0.104 0.000 0.898 77 N HN 0.769 9.149 8.380 0.000 0.000 0.544 78 L N 0.804 121.947 121.223 -0.132 0.000 2.525 78 L HA 0.179 4.519 4.340 0.001 0.000 0.278 78 L C 0.665 177.488 176.870 -0.078 0.000 1.218 78 L CA 0.818 55.581 54.840 -0.127 0.000 0.878 78 L CB 0.437 42.436 42.059 -0.099 0.000 1.127 78 L HN 0.273 8.503 8.230 0.000 0.000 0.492 79 D N 2.364 122.730 120.400 -0.058 0.000 2.340 79 D HA 0.093 4.733 4.640 0.001 0.000 0.240 79 D C 0.262 176.567 176.300 0.009 0.000 1.001 79 D CA -0.496 53.492 54.000 -0.020 0.000 0.888 79 D CB 1.964 42.763 40.800 -0.003 0.000 1.310 79 D HN 0.553 8.923 8.370 0.000 0.000 0.474 80 Q N 1.349 121.152 119.800 0.005 0.000 2.181 80 Q HA -0.180 4.160 4.340 0.001 0.000 0.205 80 Q C 1.037 177.053 176.000 0.027 0.000 0.980 80 Q CA 1.555 57.363 55.803 0.007 0.000 0.862 80 Q CB -0.284 28.451 28.738 -0.005 0.000 0.905 80 Q HN 0.602 8.872 8.270 0.000 0.000 0.429 81 D N -0.468 119.958 120.400 0.044 0.000 2.312 81 D HA -0.104 4.536 4.640 0.001 0.000 0.211 81 D C 0.333 176.698 176.300 0.107 0.000 0.964 81 D CA 0.659 54.697 54.000 0.063 0.000 0.877 81 D CB 0.116 40.958 40.800 0.071 0.000 0.924 81 D HN 0.138 8.508 8.370 0.000 0.000 0.515 82 D N -0.110 120.374 120.400 0.140 0.000 2.349 82 D HA 0.031 4.671 4.640 0.001 0.000 0.224 82 D C 0.315 176.762 176.300 0.245 0.000 1.029 82 D CA 0.011 54.162 54.000 0.252 0.000 0.879 82 D CB -0.044 40.892 40.800 0.228 0.000 0.906 82 D HN 0.383 8.753 8.370 0.000 0.000 0.528 83 I N 1.551 122.200 120.570 0.132 0.000 2.792 83 I HA 0.070 4.240 4.170 0.001 0.000 0.284 83 I C 0.682 176.831 176.117 0.053 0.000 1.166 83 I CA 0.342 61.701 61.300 0.099 0.000 1.375 83 I CB -0.065 37.960 38.000 0.042 0.000 1.421 83 I HN -0.056 8.154 8.210 0.000 0.000 0.544 84 A N 4.464 127.309 122.820 0.042 0.000 2.483 84 A HA 0.694 5.015 4.320 0.001 0.000 0.294 84 A C -0.739 176.712 177.584 -0.222 0.000 1.077 84 A CA -0.660 51.271 52.037 -0.176 0.000 0.633 84 A CB 1.107 19.864 19.000 -0.405 0.000 1.318 84 A HN 0.366 8.516 8.150 0.000 0.000 0.455 85 T N 0.972 115.289 114.554 -0.394 0.000 2.797 85 T HA 0.629 4.979 4.350 0.001 0.000 0.279 85 T C -1.572 172.828 174.700 -0.501 0.000 0.991 85 T CA 0.246 62.173 62.100 -0.288 0.000 0.979 85 T CB 0.388 69.119 68.868 -0.228 0.000 0.943 85 T HN 0.354 8.594 8.240 0.000 0.000 0.444 86 Y N 2.574 122.942 120.300 0.113 0.000 2.328 86 Y HA 0.585 5.135 4.550 0.000 0.000 0.337 86 Y C -0.486 175.784 175.900 0.617 0.000 0.966 86 Y CA -1.184 57.081 58.100 0.274 0.000 1.136 86 Y CB 0.903 39.510 38.460 0.246 0.000 1.170 86 Y HN 0.478 8.758 8.280 0.000 0.000 0.470 87 F N 2.562 122.831 119.950 0.531 0.000 2.508 87 F HA 0.551 5.079 4.527 0.001 0.000 0.325 87 F C 0.351 176.404 175.800 0.422 0.000 1.090 87 F CA -2.108 56.145 58.000 0.421 0.000 0.945 87 F CB 1.083 40.267 39.000 0.306 0.000 1.156 87 F HN 0.571 8.871 8.300 0.000 0.000 0.463 88 c N 2.367 121.085 118.600 0.196 0.000 2.401 88 c HA 0.875 5.445 4.570 0.001 0.000 0.356 88 c C -0.573 173.450 174.090 -0.112 0.000 1.192 88 c CA -0.491 55.618 56.329 -0.366 0.000 2.028 88 c CB 1.751 43.629 42.510 -1.054 0.000 2.344 88 c HN 0.851 9.081 8.230 0.000 0.000 0.525 89 Q N 1.483 121.138 119.800 -0.241 0.000 2.281 89 Q HA 0.338 4.678 4.340 0.001 0.000 0.263 89 Q C -1.537 174.274 176.000 -0.315 0.000 0.989 89 Q CA -0.006 55.599 55.803 -0.329 0.000 0.852 89 Q CB 2.130 30.670 28.738 -0.329 0.000 1.337 89 Q HN 0.998 9.268 8.270 0.000 0.000 0.418 90 Q N 1.366 120.976 119.800 -0.318 0.000 2.286 90 Q HA 0.560 4.900 4.340 0.001 0.000 0.257 90 Q C 0.317 176.212 176.000 -0.175 0.000 0.941 90 Q CA 0.324 55.996 55.803 -0.220 0.000 0.912 90 Q CB 1.136 29.772 28.738 -0.170 0.000 1.192 90 Q HN 0.693 8.963 8.270 0.000 0.000 0.410 91 G N 1.441 110.200 108.800 -0.069 0.000 3.690 91 G HA2 0.056 4.016 3.960 0.001 0.000 0.283 91 G HA3 0.056 4.016 3.960 0.001 0.000 0.283 91 G C 0.463 175.292 174.900 -0.119 0.000 1.057 91 G CA 0.135 45.210 45.100 -0.041 0.000 0.821 91 G HN 0.680 8.970 8.290 0.000 0.000 0.526 92 T N 0.188 114.657 114.554 -0.141 0.000 3.015 92 T HA 0.228 4.579 4.350 0.001 0.000 0.250 92 T C 1.133 175.717 174.700 -0.194 0.000 1.057 92 T CA 1.449 63.397 62.100 -0.254 0.000 1.066 92 T CB 0.156 68.938 68.868 -0.143 0.000 0.959 92 T HN 0.504 8.744 8.240 0.000 0.000 0.488 93 T N -0.691 113.783 114.554 -0.134 0.000 2.821 93 T HA 0.630 4.980 4.350 0.001 0.000 0.306 93 T C -1.185 173.461 174.700 -0.090 0.000 1.313 93 T CA -0.953 61.084 62.100 -0.104 0.000 1.012 93 T CB 1.031 69.852 68.868 -0.078 0.000 1.298 93 T HN 0.059 8.299 8.240 0.000 0.000 0.502 94 L N 2.369 123.550 121.223 -0.071 0.000 2.334 94 L HA 0.549 4.889 4.340 0.001 0.000 0.277 94 L C -1.655 175.187 176.870 -0.046 0.000 1.075 94 L CA -2.050 52.755 54.840 -0.057 0.000 0.804 94 L CB 0.883 42.915 42.059 -0.045 0.000 1.174 94 L HN 0.624 8.854 8.230 0.000 0.000 0.438 95 P HA 0.249 4.669 4.420 0.000 0.000 0.275 95 P C -2.667 174.591 177.300 -0.070 0.000 1.228 95 P CA -1.491 61.586 63.100 -0.038 0.000 0.786 95 P CB -0.062 31.628 31.700 -0.017 0.000 0.927 96 P HA 0.093 4.513 4.420 0.000 0.000 0.267 96 P C -0.178 176.974 177.300 -0.246 0.000 1.205 96 P CA 0.427 63.414 63.100 -0.188 0.000 0.765 96 P CB 0.135 31.732 31.700 -0.172 0.000 0.828 97 T N 0.247 114.581 114.554 -0.366 0.000 2.893 97 T HA 0.741 5.091 4.350 0.001 0.000 0.291 97 T C -0.710 173.680 174.700 -0.517 0.000 1.028 97 T CA -0.642 61.283 62.100 -0.291 0.000 0.995 97 T CB 0.817 69.612 68.868 -0.121 0.000 1.051 97 T HN 0.005 8.245 8.240 0.000 0.000 0.470 98 F N 0.196 120.067 119.950 -0.132 0.000 2.538 98 F HA 0.718 5.246 4.527 0.000 0.000 0.325 98 F C 1.138 176.806 175.800 -0.221 0.000 1.066 98 F CA -0.801 57.089 58.000 -0.183 0.000 0.946 98 F CB 1.586 40.437 39.000 -0.248 0.000 1.199 98 F HN 0.991 9.291 8.300 0.000 0.000 0.473 99 G N -0.100 108.667 108.800 -0.054 0.000 2.599 99 G HA2 0.390 4.350 3.960 0.001 0.000 0.264 99 G HA3 0.390 4.350 3.960 0.001 0.000 0.264 99 G C 0.927 175.661 174.900 -0.277 0.000 1.200 99 G CA -0.264 44.774 45.100 -0.104 0.000 0.896 99 G HN 0.944 9.234 8.290 0.000 0.000 0.536 100 G N -1.215 107.488 108.800 -0.163 0.000 2.598 100 G HA2 0.458 4.419 3.960 0.001 0.000 0.215 100 G HA3 0.458 4.419 3.960 0.001 0.000 0.215 100 G C 1.019 175.860 174.900 -0.097 0.000 1.131 100 G CA 0.957 45.950 45.100 -0.178 0.000 0.785 100 G HN 1.979 10.269 8.290 0.000 0.000 0.539 101 G N -1.655 107.190 108.800 0.075 0.000 2.705 101 G HA2 0.129 4.089 3.960 0.001 0.000 0.686 101 G HA3 0.129 4.089 3.960 0.001 0.000 0.686 101 G C -0.515 174.631 174.900 0.409 0.000 1.285 101 G CA -0.387 45.062 45.100 0.581 0.000 0.800 101 G HN 0.683 8.973 8.290 0.000 0.000 0.611 102 T N 2.669 117.489 114.554 0.442 0.000 2.809 102 T HA 0.552 4.902 4.350 0.001 0.000 0.284 102 T C 0.222 175.107 174.700 0.309 0.000 0.992 102 T CA -0.767 61.526 62.100 0.322 0.000 0.957 102 T CB 1.535 70.584 68.868 0.301 0.000 0.942 102 T HN 0.632 8.872 8.240 0.000 0.000 0.439 103 K N 2.260 122.793 120.400 0.221 0.000 2.249 103 K HA 0.474 4.794 4.320 0.001 0.000 0.280 103 K C -0.818 175.897 176.600 0.191 0.000 1.033 103 K CA -0.843 55.551 56.287 0.179 0.000 0.946 103 K CB 1.127 33.704 32.500 0.128 0.000 1.005 103 K HN 0.278 8.528 8.250 0.000 0.000 0.469 104 L N 2.796 124.149 121.223 0.215 0.000 2.319 104 L HA 0.242 4.583 4.340 0.001 0.000 0.281 104 L C -0.571 176.400 176.870 0.168 0.000 1.005 104 L CA -0.154 54.809 54.840 0.205 0.000 0.828 104 L CB 1.451 43.685 42.059 0.291 0.000 1.227 104 L HN 0.635 8.865 8.230 0.000 0.000 0.415 105 E N 5.308 125.601 120.200 0.154 0.000 2.191 105 E HA 0.353 4.703 4.350 0.001 0.000 0.278 105 E C -1.057 175.631 176.600 0.146 0.000 0.972 105 E CA -0.853 55.651 56.400 0.173 0.000 0.804 105 E CB 1.151 30.988 29.700 0.228 0.000 1.110 105 E HN 0.531 8.891 8.360 0.000 0.000 0.394 106 I N 4.393 125.036 120.570 0.121 0.000 2.352 106 I HA 0.164 4.334 4.170 0.001 0.000 0.290 106 I C 0.753 176.921 176.117 0.085 0.000 1.036 106 I CA -0.239 61.106 61.300 0.075 0.000 1.336 106 I CB 0.741 38.757 38.000 0.027 0.000 1.407 106 I HN 0.571 8.781 8.210 0.000 0.000 0.497 107 K N 5.910 126.341 120.400 0.053 0.000 2.187 107 K HA 0.389 4.710 4.320 0.001 0.000 0.247 107 K C 0.289 176.744 176.600 -0.242 0.000 1.019 107 K CA -0.364 55.908 56.287 -0.025 0.000 0.893 107 K CB 1.051 33.559 32.500 0.013 0.000 1.025 107 K HN 0.486 8.736 8.250 0.000 0.000 0.500 108 R N -0.311 119.860 120.500 -0.549 0.000 2.709 108 R HA 0.255 4.596 4.340 0.001 0.000 0.270 108 R C -1.750 174.226 176.300 -0.540 0.000 1.038 108 R CA -0.548 55.216 56.100 -0.561 0.000 0.872 108 R CB 1.397 31.270 30.300 -0.711 0.000 1.259 108 R HN 0.757 9.027 8.270 0.000 0.000 0.473 109 A N 2.075 124.740 122.820 -0.259 0.000 2.483 109 A HA 0.164 4.485 4.320 0.001 0.000 0.238 109 A C -0.419 177.148 177.584 -0.028 0.000 1.070 109 A CA 0.097 52.069 52.037 -0.108 0.000 0.770 109 A CB 0.021 18.996 19.000 -0.043 0.000 1.008 109 A HN 0.610 8.760 8.150 0.000 0.000 0.497 110 D N 0.564 121.032 120.400 0.113 0.000 2.488 110 D HA 0.410 5.050 4.640 0.001 0.000 0.238 110 D C 0.145 176.591 176.300 0.243 0.000 1.138 110 D CA 1.559 55.724 54.000 0.275 0.000 0.873 110 D CB 0.818 41.758 40.800 0.234 0.000 1.183 110 D HN 0.749 9.119 8.370 0.000 0.000 0.458 111 A N 1.273 124.303 122.820 0.350 0.000 2.398 111 A HA 0.682 5.002 4.320 0.001 0.000 0.301 111 A C -0.382 177.369 177.584 0.278 0.000 1.041 111 A CA -0.689 51.505 52.037 0.261 0.000 0.711 111 A CB 1.470 20.599 19.000 0.216 0.000 1.240 111 A HN 0.543 8.693 8.150 0.000 0.000 0.420 112 A N 3.537 126.465 122.820 0.181 0.000 2.351 112 A HA 0.769 5.089 4.320 0.001 0.000 0.257 112 A C -2.356 175.251 177.584 0.037 0.000 1.087 112 A CA -1.380 50.705 52.037 0.080 0.000 0.798 112 A CB -0.221 18.834 19.000 0.092 0.000 1.033 112 A HN 0.594 8.744 8.150 0.000 0.000 0.488 113 P HA 0.221 4.641 4.420 0.000 0.000 0.279 113 P C -0.552 176.770 177.300 0.037 0.000 1.239 113 P CA -0.014 63.106 63.100 0.034 0.000 0.789 113 P CB 0.760 32.367 31.700 -0.154 0.000 0.933 114 T N 2.481 117.085 114.554 0.083 0.000 2.723 114 T HA 0.240 4.590 4.350 0.001 0.000 0.297 114 T C 0.248 174.995 174.700 0.078 0.000 0.925 114 T CA -0.163 61.977 62.100 0.067 0.000 1.030 114 T CB -0.076 68.835 68.868 0.072 0.000 0.905 114 T HN 0.091 8.331 8.240 0.000 0.000 0.502 115 V N 4.027 123.965 119.914 0.040 0.000 2.370 115 V HA 0.460 4.580 4.120 0.001 0.000 0.279 115 V C 0.254 176.364 176.094 0.026 0.000 1.029 115 V CA -0.586 61.731 62.300 0.028 0.000 0.870 115 V CB 1.492 33.292 31.823 -0.038 0.000 0.984 115 V HN 0.855 9.045 8.190 0.000 0.000 0.451 116 S N 5.143 120.888 115.700 0.075 0.000 2.500 116 S HA 0.691 5.161 4.470 0.001 0.000 0.301 116 S C -0.534 173.991 174.600 -0.124 0.000 1.092 116 S CA -0.406 57.774 58.200 -0.032 0.000 1.030 116 S CB 1.834 65.125 63.200 0.151 0.000 1.031 116 S HN 0.684 8.994 8.310 0.000 0.000 0.483 117 I N 2.650 123.023 120.570 -0.329 0.000 2.562 117 I HA 0.681 4.851 4.170 0.001 0.000 0.301 117 I C -1.844 173.974 176.117 -0.498 0.000 1.003 117 I CA -1.033 60.165 61.300 -0.169 0.000 1.127 117 I CB 1.005 39.044 38.000 0.065 0.000 1.304 117 I HN 0.544 8.754 8.210 0.000 0.000 0.446 118 F N 6.777 126.751 119.950 0.040 0.000 2.561 118 F HA 0.536 5.064 4.527 0.001 0.000 0.313 118 F C -2.286 173.428 175.800 -0.143 0.000 1.126 118 F CA -1.888 56.052 58.000 -0.099 0.000 0.918 118 F CB 1.674 40.590 39.000 -0.140 0.000 1.199 118 F HN 0.250 8.550 8.300 0.000 0.000 0.444 119 P HA 0.313 4.733 4.420 0.000 0.000 0.276 119 P C -2.735 174.448 177.300 -0.195 0.000 1.261 119 P CA -1.719 61.139 63.100 -0.403 0.000 0.800 119 P CB 0.323 31.559 31.700 -0.773 0.000 1.066 120 P HA 0.039 4.459 4.420 0.000 0.000 0.269 120 P C 0.184 177.376 177.300 -0.179 0.000 1.215 120 P CA 0.197 63.127 63.100 -0.283 0.000 0.780 120 P CB 0.065 31.456 31.700 -0.515 0.000 0.898 121 S N -0.199 115.420 115.700 -0.136 0.000 2.632 121 S HA 0.138 4.608 4.470 0.001 0.000 0.267 121 S C 1.533 176.090 174.600 -0.073 0.000 1.276 121 S CA -0.194 57.953 58.200 -0.088 0.000 0.998 121 S CB 0.861 64.018 63.200 -0.072 0.000 0.953 121 S HN 0.391 8.701 8.310 0.000 0.000 0.547 122 S N 0.779 116.452 115.700 -0.045 0.000 2.374 122 S HA -0.182 4.288 4.470 0.001 0.000 0.227 122 S C 1.604 176.186 174.600 -0.030 0.000 1.037 122 S CA 1.975 60.159 58.200 -0.028 0.000 1.024 122 S CB -0.758 62.432 63.200 -0.018 0.000 0.861 122 S HN 0.815 9.125 8.310 0.000 0.000 0.456 123 E N 0.765 120.944 120.200 -0.035 0.000 2.046 123 E HA -0.107 4.244 4.350 0.001 0.000 0.190 123 E C 2.203 178.778 176.600 -0.040 0.000 0.982 123 E CA 1.070 57.450 56.400 -0.032 0.000 0.800 123 E CB -0.307 29.374 29.700 -0.031 0.000 0.756 123 E HN 0.600 8.960 8.360 0.000 0.000 0.449 124 Q N 0.444 120.209 119.800 -0.058 0.000 2.124 124 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 124 Q C 2.051 178.011 176.000 -0.067 0.000 0.977 124 Q CA 0.996 56.758 55.803 -0.070 0.000 0.850 124 Q CB -0.035 28.644 28.738 -0.098 0.000 0.901 124 Q HN 0.300 8.570 8.270 0.000 0.000 0.429 125 L N -0.102 121.080 121.223 -0.068 0.000 2.131 125 L HA -0.169 4.172 4.340 0.001 0.000 0.210 125 L C 2.425 179.284 176.870 -0.018 0.000 1.092 125 L CA 1.395 56.209 54.840 -0.043 0.000 0.759 125 L CB -0.447 41.598 42.059 -0.024 0.000 0.903 125 L HN 0.240 8.470 8.230 0.000 0.000 0.435 126 T N -1.256 113.287 114.554 -0.018 0.000 2.746 126 T HA -0.159 4.192 4.350 0.001 0.000 0.267 126 T C 2.032 176.725 174.700 -0.012 0.000 1.039 126 T CA 1.634 63.727 62.100 -0.010 0.000 1.142 126 T CB -0.116 68.746 68.868 -0.011 0.000 0.866 126 T HN 0.245 8.485 8.240 0.000 0.000 0.444 127 S N -0.110 115.578 115.700 -0.020 0.000 2.507 127 S HA 0.181 4.652 4.470 0.001 0.000 0.235 127 S C 1.850 176.440 174.600 -0.018 0.000 0.988 127 S CA 0.844 59.032 58.200 -0.020 0.000 0.944 127 S CB -0.310 62.874 63.200 -0.027 0.000 0.762 127 S HN 0.798 9.108 8.310 0.000 0.000 0.526 128 G N 0.338 109.127 108.800 -0.018 0.000 2.176 128 G HA2 -0.130 3.830 3.960 0.001 0.000 0.232 128 G HA3 -0.130 3.830 3.960 0.001 0.000 0.232 128 G C 0.212 175.101 174.900 -0.018 0.000 0.986 128 G CA -0.216 44.878 45.100 -0.010 0.000 0.643 128 G HN 0.835 9.125 8.290 0.000 0.000 0.522 129 G N -0.960 107.816 108.800 -0.039 0.000 2.601 129 G HA2 0.911 4.871 3.960 0.001 0.000 0.317 129 G HA3 0.911 4.871 3.960 0.001 0.000 0.317 129 G C -0.287 174.549 174.900 -0.107 0.000 1.246 129 G CA -0.085 44.979 45.100 -0.059 0.000 1.012 129 G HN 1.756 10.046 8.290 0.000 0.000 0.494 130 A N -0.151 122.578 122.820 -0.151 0.000 2.579 130 A HA 0.614 4.934 4.320 0.001 0.000 0.288 130 A C -0.520 176.892 177.584 -0.287 0.000 1.079 130 A CA -0.389 51.474 52.037 -0.290 0.000 0.889 130 A CB 0.796 19.549 19.000 -0.411 0.000 1.439 130 A HN 0.739 8.889 8.150 0.000 0.000 0.399 131 S N 1.205 116.748 115.700 -0.262 0.000 2.433 131 S HA 0.574 5.044 4.470 0.001 0.000 0.310 131 S C 0.160 174.615 174.600 -0.243 0.000 1.097 131 S CA -0.465 57.597 58.200 -0.230 0.000 1.103 131 S CB 1.265 64.368 63.200 -0.161 0.000 0.992 131 S HN 0.691 9.001 8.310 0.000 0.000 0.469 132 V N 4.001 123.757 119.914 -0.263 0.000 2.567 132 V HA 0.594 4.714 4.120 0.001 0.000 0.289 132 V C -0.051 176.028 176.094 -0.025 0.000 1.049 132 V CA -0.532 61.698 62.300 -0.116 0.000 0.969 132 V CB 1.447 33.207 31.823 -0.105 0.000 0.995 132 V HN 0.625 8.815 8.190 0.000 0.000 0.471 133 V N 2.626 122.671 119.914 0.218 0.000 2.841 133 V HA 0.488 4.608 4.120 0.001 0.000 0.310 133 V C -0.721 175.545 176.094 0.285 0.000 1.090 133 V CA -0.485 61.924 62.300 0.182 0.000 0.930 133 V CB 2.200 33.941 31.823 -0.137 0.000 1.014 133 V HN 0.996 9.186 8.190 0.000 0.000 0.425 134 c N 4.500 123.205 118.600 0.174 0.000 2.431 134 c HA 0.731 5.301 4.570 0.001 0.000 0.321 134 c C -0.919 173.159 174.090 -0.020 0.000 1.202 134 c CA -0.680 55.674 56.329 0.042 0.000 1.398 134 c CB 0.644 43.096 42.510 -0.097 0.000 2.047 134 c HN 0.667 8.897 8.230 0.000 0.000 0.465 135 F N 5.223 125.296 119.950 0.205 0.000 2.415 135 F HA 0.627 5.154 4.527 0.001 0.000 0.348 135 F C -0.054 175.789 175.800 0.071 0.000 1.119 135 F CA -1.016 57.062 58.000 0.130 0.000 1.069 135 F CB 1.075 40.183 39.000 0.179 0.000 1.124 135 F HN 0.201 8.501 8.300 0.000 0.000 0.472 136 L N 4.991 126.361 121.223 0.246 0.000 2.337 136 L HA 0.404 4.745 4.340 0.001 0.000 0.269 136 L C -0.431 176.627 176.870 0.314 0.000 1.018 136 L CA -0.398 54.540 54.840 0.163 0.000 0.876 136 L CB 0.305 42.354 42.059 -0.017 0.000 1.236 136 L HN 0.397 8.627 8.230 0.000 0.000 0.436 137 N N 1.996 120.847 118.700 0.251 0.000 2.417 137 N HA 0.345 5.085 4.740 0.001 0.000 0.300 137 N C -0.231 175.391 175.510 0.187 0.000 1.102 137 N CA -0.786 52.373 53.050 0.182 0.000 0.886 137 N CB 1.054 39.589 38.487 0.080 0.000 1.203 137 N HN 0.392 8.772 8.380 0.000 0.000 0.496 138 N N -0.185 118.543 118.700 0.047 0.000 2.671 138 N HA -0.214 4.527 4.740 0.001 0.000 0.261 138 N C -1.384 174.184 175.510 0.096 0.000 1.053 138 N CA 0.622 53.675 53.050 0.004 0.000 0.732 138 N CB -1.452 37.049 38.487 0.023 0.000 0.887 138 N HN 0.467 8.847 8.380 0.000 0.000 0.546 139 F N -1.818 118.190 119.950 0.095 0.000 2.598 139 F HA 0.845 5.373 4.527 0.000 0.000 0.327 139 F C -0.467 175.510 175.800 0.295 0.000 1.057 139 F CA -1.469 56.577 58.000 0.077 0.000 0.957 139 F CB 1.318 40.203 39.000 -0.191 0.000 1.278 139 F HN 0.011 8.311 8.300 0.000 0.000 0.484 140 Y N 2.169 122.740 120.300 0.453 0.000 2.479 140 Y HA 0.588 5.139 4.550 0.001 0.000 0.338 140 Y C -2.986 173.250 175.900 0.559 0.000 1.055 140 Y CA -2.473 55.910 58.100 0.470 0.000 1.023 140 Y CB 2.620 41.238 38.460 0.264 0.000 1.287 140 Y HN 0.502 8.783 8.280 0.000 0.000 0.447 141 P HA 0.202 4.622 4.420 0.000 0.000 0.279 141 P C -0.005 177.325 177.300 0.051 0.000 1.276 141 P CA -0.300 62.454 63.100 -0.576 0.000 0.801 141 P CB 1.461 32.861 31.700 -0.501 0.000 1.127 142 K N -0.166 120.055 120.400 -0.298 0.000 2.074 142 K HA -0.187 4.133 4.320 0.001 0.000 0.209 142 K C 0.418 177.095 176.600 0.128 0.000 1.048 142 K CA 1.323 57.424 56.287 -0.311 0.000 0.926 142 K CB -0.601 31.260 32.500 -1.064 0.000 0.713 142 K HN 0.461 8.711 8.250 0.000 0.000 0.444 143 D N 0.513 120.899 120.400 -0.024 0.000 2.493 143 D HA 0.124 4.764 4.640 0.001 0.000 0.240 143 D C -0.697 175.693 176.300 0.150 0.000 1.142 143 D CA 0.652 54.657 54.000 0.009 0.000 0.872 143 D CB 0.334 41.091 40.800 -0.070 0.000 1.173 143 D HN 0.232 8.602 8.370 0.000 0.000 0.467 144 I N 2.928 123.615 120.570 0.195 0.000 2.800 144 I HA 0.244 4.414 4.170 0.001 0.000 0.294 144 I C -1.825 174.385 176.117 0.155 0.000 1.538 144 I CA -0.785 60.605 61.300 0.150 0.000 1.010 144 I CB 1.667 39.651 38.000 -0.028 0.000 1.381 144 I HN 0.237 8.447 8.210 0.000 0.000 0.462 145 N N 4.590 123.325 118.700 0.058 0.000 2.284 145 N HA 0.665 5.406 4.740 0.001 0.000 0.300 145 N C -1.459 174.039 175.510 -0.021 0.000 1.047 145 N CA -0.318 52.763 53.050 0.051 0.000 0.821 145 N CB 2.679 41.188 38.487 0.036 0.000 1.337 145 N HN 0.240 8.620 8.380 0.000 0.000 0.482 146 V N 1.464 121.363 119.914 -0.025 0.000 2.495 146 V HA 0.474 4.595 4.120 0.001 0.000 0.298 146 V C 0.054 176.103 176.094 -0.074 0.000 1.031 146 V CA -0.817 61.416 62.300 -0.112 0.000 0.871 146 V CB 1.843 33.566 31.823 -0.166 0.000 0.988 146 V HN 0.474 8.664 8.190 0.000 0.000 0.432 147 K N 3.448 123.769 120.400 -0.132 0.000 2.413 147 K HA 0.418 4.739 4.320 0.001 0.000 0.257 147 K C -1.624 174.904 176.600 -0.120 0.000 0.946 147 K CA -0.538 55.715 56.287 -0.055 0.000 0.823 147 K CB 1.240 33.717 32.500 -0.038 0.000 1.109 147 K HN 0.667 8.917 8.250 0.000 0.000 0.427 148 W N 3.575 124.868 121.300 -0.011 0.000 2.365 148 W HA 0.321 4.981 4.660 0.000 0.000 0.316 148 W C -0.017 176.479 176.519 -0.038 0.000 1.164 148 W CA -0.426 56.913 57.345 -0.011 0.000 1.204 148 W CB 1.159 30.625 29.460 0.010 0.000 1.213 148 W HN 0.243 8.423 8.180 0.000 0.000 0.539 149 K N 4.268 124.784 120.400 0.194 0.000 2.463 149 K HA 0.495 4.815 4.320 0.001 0.000 0.255 149 K C -0.966 175.612 176.600 -0.038 0.000 0.942 149 K CA -0.706 55.607 56.287 0.043 0.000 0.814 149 K CB 1.671 34.156 32.500 -0.024 0.000 1.122 149 K HN 0.334 8.584 8.250 0.000 0.000 0.425 150 I N 3.007 123.486 120.570 -0.152 0.000 2.330 150 I HA 0.094 4.264 4.170 0.001 0.000 0.289 150 I C -0.400 175.466 176.117 -0.418 0.000 1.001 150 I CA -0.447 60.608 61.300 -0.407 0.000 1.193 150 I CB 1.306 39.051 38.000 -0.426 0.000 1.345 150 I HN 0.649 8.859 8.210 0.000 0.000 0.461 151 D N 5.739 125.886 120.400 -0.421 0.000 2.686 151 D HA -0.205 4.435 4.640 0.001 0.000 0.235 151 D C 1.228 177.428 176.300 -0.167 0.000 1.160 151 D CA 1.719 55.570 54.000 -0.249 0.000 0.645 151 D CB -0.734 39.964 40.800 -0.170 0.000 1.039 151 D HN 1.114 9.484 8.370 0.000 0.000 0.423 152 G N -1.159 107.550 108.800 -0.150 0.000 2.245 152 G HA2 -0.331 3.629 3.960 0.001 0.000 0.264 152 G HA3 -0.331 3.629 3.960 0.001 0.000 0.264 152 G C 0.424 175.274 174.900 -0.083 0.000 0.985 152 G CA 0.704 45.745 45.100 -0.097 0.000 0.625 152 G HN 0.878 9.168 8.290 0.000 0.000 0.536 153 S N 0.468 116.104 115.700 -0.107 0.000 2.499 153 S HA 0.501 4.971 4.470 0.001 0.000 0.279 153 S C 0.238 174.801 174.600 -0.061 0.000 1.219 153 S CA -0.283 57.867 58.200 -0.083 0.000 1.062 153 S CB 1.150 64.288 63.200 -0.104 0.000 0.978 153 S HN 0.377 8.687 8.310 0.000 0.000 0.489 154 E N 2.129 122.312 120.200 -0.027 0.000 2.384 154 E HA 0.122 4.472 4.350 0.001 0.000 0.266 154 E C -0.341 176.269 176.600 0.017 0.000 1.012 154 E CA -0.161 56.243 56.400 0.008 0.000 0.901 154 E CB 0.508 30.216 29.700 0.014 0.000 0.967 154 E HN 0.406 8.766 8.360 0.000 0.000 0.435 155 R N 3.152 123.688 120.500 0.061 0.000 2.337 155 R HA 0.100 4.440 4.340 0.001 0.000 0.319 155 R C 0.371 176.719 176.300 0.080 0.000 0.954 155 R CA -0.081 56.049 56.100 0.050 0.000 0.840 155 R CB 0.869 31.190 30.300 0.036 0.000 1.164 155 R HN 0.587 8.857 8.270 0.000 0.000 0.472 156 Q N 2.265 122.096 119.800 0.052 0.000 2.226 156 Q HA 0.195 4.535 4.340 0.001 0.000 0.199 156 Q C -0.322 175.704 176.000 0.043 0.000 0.945 156 Q CA 0.375 56.215 55.803 0.061 0.000 0.861 156 Q CB 0.461 29.228 28.738 0.048 0.000 0.953 156 Q HN 0.609 8.879 8.270 0.000 0.000 0.490 157 N N 0.298 119.010 118.700 0.021 0.000 2.497 157 N HA 0.134 4.875 4.740 0.001 0.000 0.271 157 N C 0.296 175.797 175.510 -0.015 0.000 1.142 157 N CA 1.059 54.114 53.050 0.008 0.000 0.965 157 N CB 1.240 39.730 38.487 0.006 0.000 1.077 157 N HN 0.422 8.802 8.380 0.000 0.000 0.462 158 G N 0.414 109.204 108.800 -0.016 0.000 2.130 158 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 158 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 158 G C -0.490 174.367 174.900 -0.072 0.000 0.999 158 G CA -0.389 44.685 45.100 -0.043 0.000 0.686 158 G HN 0.460 8.750 8.290 0.000 0.000 0.515 159 V N 1.213 121.110 119.914 -0.028 0.000 2.409 159 V HA 0.666 4.786 4.120 0.001 0.000 0.291 159 V C 0.423 176.545 176.094 0.046 0.000 1.020 159 V CA -0.727 61.567 62.300 -0.010 0.000 0.848 159 V CB 1.747 33.613 31.823 0.072 0.000 0.990 159 V HN 0.306 8.496 8.190 0.000 0.000 0.430 160 L N 5.470 126.720 121.223 0.044 0.000 2.305 160 L HA 0.602 4.942 4.340 0.001 0.000 0.284 160 L C -0.298 176.621 176.870 0.081 0.000 1.013 160 L CA -0.405 54.473 54.840 0.064 0.000 0.819 160 L CB 1.462 43.546 42.059 0.041 0.000 1.227 160 L HN 0.566 8.796 8.230 0.000 0.000 0.417 161 N N 1.696 120.448 118.700 0.087 0.000 2.362 161 N HA 0.440 5.181 4.740 0.001 0.000 0.298 161 N C -1.079 174.451 175.510 0.033 0.000 1.048 161 N CA -0.361 52.688 53.050 -0.002 0.000 0.858 161 N CB 2.317 40.797 38.487 -0.013 0.000 1.218 161 N HN 0.391 8.771 8.380 0.000 0.000 0.488 162 S N 1.844 117.493 115.700 -0.085 0.000 2.750 162 S HA 0.366 4.836 4.470 0.001 0.000 0.276 162 S C -1.363 173.266 174.600 0.049 0.000 1.165 162 S CA -0.741 57.515 58.200 0.092 0.000 1.047 162 S CB 0.431 63.687 63.200 0.094 0.000 1.056 162 S HN 0.391 8.701 8.310 0.000 0.000 0.481 163 W N 3.721 125.095 121.300 0.123 0.000 2.376 163 W HA 0.302 4.963 4.660 0.001 0.000 0.322 163 W C 1.006 177.594 176.519 0.115 0.000 1.160 163 W CA -0.599 56.829 57.345 0.138 0.000 1.218 163 W CB 1.607 31.143 29.460 0.127 0.000 1.205 163 W HN 0.709 8.889 8.180 0.000 0.000 0.559 164 T N -0.732 114.010 114.554 0.313 0.000 2.816 164 T HA 0.116 4.466 4.350 0.001 0.000 0.282 164 T C 0.114 174.965 174.700 0.252 0.000 0.993 164 T CA -0.783 61.438 62.100 0.201 0.000 0.994 164 T CB 1.169 70.090 68.868 0.088 0.000 1.025 164 T HN 0.186 8.426 8.240 0.000 0.000 0.529 165 D N 0.713 121.200 120.400 0.144 0.000 2.361 165 D HA 0.085 4.725 4.640 0.001 0.000 0.239 165 D C 0.399 176.703 176.300 0.006 0.000 1.200 165 D CA -0.133 53.939 54.000 0.119 0.000 0.915 165 D CB 0.389 41.221 40.800 0.052 0.000 1.170 165 D HN 0.677 9.047 8.370 0.000 0.000 0.444 166 Q N 1.067 120.809 119.800 -0.097 0.000 2.263 166 Q HA -0.073 4.267 4.340 0.001 0.000 0.289 166 Q C -0.133 175.712 176.000 -0.258 0.000 1.061 166 Q CA 0.015 55.530 55.803 -0.480 0.000 0.927 166 Q CB 0.531 29.029 28.738 -0.400 0.000 1.154 166 Q HN 0.327 8.597 8.270 0.000 0.000 0.378 167 D N 2.390 122.623 120.400 -0.278 0.000 2.434 167 D HA -0.073 4.568 4.640 0.001 0.000 0.252 167 D C 0.671 176.903 176.300 -0.114 0.000 1.185 167 D CA 0.437 54.344 54.000 -0.155 0.000 0.886 167 D CB 0.898 41.613 40.800 -0.141 0.000 1.148 167 D HN 0.719 9.089 8.370 0.000 0.000 0.483 168 S N 3.563 119.219 115.700 -0.074 0.000 2.507 168 S HA -0.130 4.340 4.470 0.001 0.000 0.235 168 S C 1.387 175.963 174.600 -0.041 0.000 0.988 168 S CA 0.716 58.888 58.200 -0.048 0.000 0.944 168 S CB 0.221 63.403 63.200 -0.031 0.000 0.762 168 S HN 0.503 8.813 8.310 0.000 0.000 0.526 169 K N 1.002 121.373 120.400 -0.048 0.000 2.225 169 K HA 0.073 4.394 4.320 0.001 0.000 0.204 169 K C 1.278 177.850 176.600 -0.047 0.000 1.047 169 K CA 1.027 57.290 56.287 -0.040 0.000 0.970 169 K CB 0.044 32.523 32.500 -0.035 0.000 0.939 169 K HN 0.498 8.748 8.250 0.000 0.000 0.472 170 D N -1.022 119.342 120.400 -0.060 0.000 2.398 170 D HA 0.082 4.723 4.640 0.001 0.000 0.210 170 D C -0.096 176.156 176.300 -0.080 0.000 1.094 170 D CA 0.041 54.004 54.000 -0.061 0.000 0.839 170 D CB 0.670 41.440 40.800 -0.050 0.000 0.963 170 D HN -0.095 8.275 8.370 0.000 0.000 0.506 171 S N -0.824 114.815 115.700 -0.102 0.000 3.382 171 S HA -0.181 4.289 4.470 0.001 0.000 0.293 171 S C 0.542 175.068 174.600 -0.123 0.000 1.262 171 S CA 1.064 59.193 58.200 -0.117 0.000 0.969 171 S CB -2.348 60.797 63.200 -0.091 0.000 1.136 171 S HN 0.856 9.166 8.310 0.000 0.000 0.635 172 T N -0.941 113.518 114.554 -0.159 0.000 2.847 172 T HA 0.698 5.048 4.350 0.001 0.000 0.279 172 T C -0.194 174.229 174.700 -0.462 0.000 0.984 172 T CA -0.470 61.539 62.100 -0.152 0.000 0.988 172 T CB 0.847 69.664 68.868 -0.084 0.000 1.040 172 T HN 0.183 8.423 8.240 0.000 0.000 0.528 173 Y N -0.514 119.581 120.300 -0.340 0.000 2.528 173 Y HA 0.652 5.202 4.550 0.001 0.000 0.335 173 Y C 0.686 176.114 175.900 -0.788 0.000 1.093 173 Y CA -0.776 57.029 58.100 -0.493 0.000 1.134 173 Y CB 2.479 40.644 38.460 -0.492 0.000 1.253 173 Y HN 0.780 9.060 8.280 0.000 0.000 0.478 174 S N 2.391 117.969 115.700 -0.205 0.000 2.632 174 S HA 0.723 5.193 4.470 0.001 0.000 0.289 174 S C -1.427 173.231 174.600 0.096 0.000 1.115 174 S CA -0.892 57.279 58.200 -0.047 0.000 0.889 174 S CB 2.030 65.212 63.200 -0.029 0.000 1.116 174 S HN 0.617 8.927 8.310 0.000 0.000 0.486 175 M N 2.607 122.283 119.600 0.127 0.000 2.365 175 M HA 0.359 4.839 4.480 0.001 0.000 0.288 175 M C -1.591 174.714 176.300 0.008 0.000 1.152 175 M CA -0.406 54.820 55.300 -0.123 0.000 0.948 175 M CB 1.994 34.288 32.600 -0.510 0.000 1.729 175 M HN 0.789 9.079 8.290 0.000 0.000 0.487 176 S N 2.588 118.300 115.700 0.021 0.000 2.489 176 S HA 0.700 5.170 4.470 0.001 0.000 0.291 176 S C -0.715 173.909 174.600 0.041 0.000 1.151 176 S CA -0.506 57.795 58.200 0.170 0.000 1.082 176 S CB 1.843 65.217 63.200 0.290 0.000 1.019 176 S HN 0.638 8.948 8.310 0.000 0.000 0.492 177 S N 1.686 117.444 115.700 0.097 0.000 2.473 177 S HA 0.704 5.174 4.470 0.001 0.000 0.307 177 S C -0.984 173.815 174.600 0.332 0.000 1.094 177 S CA -0.458 57.864 58.200 0.203 0.000 1.070 177 S CB 1.147 64.484 63.200 0.228 0.000 1.019 177 S HN 0.843 9.153 8.310 0.000 0.000 0.480 178 T N 4.574 119.253 114.554 0.209 0.000 2.840 178 T HA 0.431 4.781 4.350 0.001 0.000 0.287 178 T C -1.262 173.321 174.700 -0.196 0.000 0.991 178 T CA -0.399 61.716 62.100 0.025 0.000 0.964 178 T CB 1.119 69.979 68.868 -0.014 0.000 0.954 178 T HN 0.450 8.690 8.240 0.000 0.000 0.438 179 L N 4.326 125.223 121.223 -0.543 0.000 2.276 179 L HA 0.572 4.912 4.340 0.001 0.000 0.286 179 L C -0.281 176.356 176.870 -0.389 0.000 1.024 179 L CA 0.100 54.532 54.840 -0.681 0.000 0.826 179 L CB 0.816 42.070 42.059 -1.341 0.000 1.211 179 L HN 0.585 8.815 8.230 0.000 0.000 0.422 180 T N 6.501 120.913 114.554 -0.236 0.000 2.771 180 T HA 0.730 5.080 4.350 0.001 0.000 0.281 180 T C -0.518 174.115 174.700 -0.112 0.000 0.982 180 T CA -0.387 61.617 62.100 -0.159 0.000 0.978 180 T CB 0.955 69.759 68.868 -0.107 0.000 0.930 180 T HN 0.430 8.670 8.240 0.000 0.000 0.447 181 L N 0.335 121.506 121.223 -0.087 0.000 2.322 181 L HA 0.820 5.160 4.340 0.001 0.000 0.252 181 L C 0.506 177.370 176.870 -0.009 0.000 1.055 181 L CA -1.328 53.501 54.840 -0.020 0.000 0.849 181 L CB -0.197 41.889 42.059 0.045 0.000 1.446 181 L HN 0.598 8.828 8.230 0.000 0.000 0.416 182 T N -3.226 111.345 114.554 0.027 0.000 2.860 182 T HA 0.231 4.582 4.350 0.001 0.000 0.299 182 T C 0.909 175.649 174.700 0.068 0.000 1.045 182 T CA -0.119 61.999 62.100 0.030 0.000 1.071 182 T CB 0.814 69.703 68.868 0.035 0.000 0.985 182 T HN 0.825 9.065 8.240 0.000 0.000 0.537 183 K N 0.391 120.822 120.400 0.053 0.000 2.063 183 K HA -0.199 4.121 4.320 0.001 0.000 0.208 183 K C 1.371 178.055 176.600 0.140 0.000 1.048 183 K CA 1.974 58.319 56.287 0.096 0.000 0.928 183 K CB -0.260 32.273 32.500 0.055 0.000 0.713 183 K HN 0.626 8.876 8.250 0.000 0.000 0.442 184 D N 0.549 121.002 120.400 0.089 0.000 2.123 184 D HA -0.117 4.523 4.640 0.001 0.000 0.200 184 D C 1.760 178.108 176.300 0.080 0.000 0.976 184 D CA 1.057 55.097 54.000 0.068 0.000 0.831 184 D CB -0.099 40.723 40.800 0.038 0.000 0.974 184 D HN 0.356 8.726 8.370 0.000 0.000 0.469 185 E N -0.276 119.991 120.200 0.112 0.000 2.058 185 E HA -0.221 4.129 4.350 0.001 0.000 0.194 185 E C 1.963 178.728 176.600 0.275 0.000 0.997 185 E CA 0.783 57.283 56.400 0.167 0.000 0.801 185 E CB -0.211 29.590 29.700 0.168 0.000 0.746 185 E HN 0.298 8.658 8.360 0.000 0.000 0.450 186 Y N 1.903 122.288 120.300 0.141 0.000 2.128 186 Y HA -0.207 4.344 4.550 0.001 0.000 0.284 186 Y C 1.575 177.596 175.900 0.202 0.000 1.154 186 Y CA 1.700 59.910 58.100 0.183 0.000 1.149 186 Y CB 0.003 38.481 38.460 0.031 0.000 0.976 186 Y HN -0.031 8.249 8.280 0.000 0.000 0.505 187 E N -0.252 119.993 120.200 0.075 0.000 2.512 187 E HA -0.048 4.303 4.350 0.001 0.000 0.195 187 E C 1.427 177.971 176.600 -0.094 0.000 1.083 187 E CA 0.005 56.375 56.400 -0.050 0.000 0.873 187 E CB -0.008 29.713 29.700 0.034 0.000 0.897 187 E HN 0.426 8.786 8.360 0.000 0.000 0.514 188 R N 0.312 120.729 120.500 -0.138 0.000 2.393 188 R HA 0.126 4.466 4.340 0.001 0.000 0.244 188 R C -0.161 175.740 176.300 -0.665 0.000 0.920 188 R CA 0.176 56.060 56.100 -0.360 0.000 1.076 188 R CB 0.426 30.476 30.300 -0.417 0.000 1.119 188 R HN 0.120 8.390 8.270 0.000 0.000 0.524 189 H N -1.960 117.072 119.070 -0.064 0.000 3.012 189 H HA 0.085 4.642 4.556 0.001 0.000 0.367 189 H C -0.187 175.064 175.328 -0.128 0.000 1.211 189 H CA -0.719 55.252 56.048 -0.128 0.000 1.139 189 H CB 1.852 31.477 29.762 -0.228 0.000 1.838 189 H HN -0.148 8.132 8.280 0.000 0.000 0.550 190 N N 0.791 119.473 118.700 -0.029 0.000 2.333 190 N HA -0.087 4.653 4.740 0.001 0.000 0.183 190 N C 0.010 175.483 175.510 -0.060 0.000 1.030 190 N CA 0.750 53.786 53.050 -0.024 0.000 0.867 190 N CB 0.478 38.950 38.487 -0.026 0.000 1.027 190 N HN 0.496 8.876 8.380 0.000 0.000 0.435 191 S N -0.679 114.875 115.700 -0.242 0.000 2.451 191 S HA 0.479 4.949 4.470 0.001 0.000 0.301 191 S C -1.313 172.947 174.600 -0.565 0.000 1.116 191 S CA -0.707 57.325 58.200 -0.279 0.000 1.093 191 S CB 0.890 63.981 63.200 -0.181 0.000 1.017 191 S HN 0.176 8.486 8.310 0.000 0.000 0.482 192 Y N 1.042 121.088 120.300 -0.424 0.000 2.331 192 Y HA 0.546 5.096 4.550 0.001 0.000 0.334 192 Y C 0.425 176.187 175.900 -0.230 0.000 0.960 192 Y CA -0.555 57.355 58.100 -0.318 0.000 1.130 192 Y CB 2.422 40.596 38.460 -0.477 0.000 1.164 192 Y HN 0.719 8.999 8.280 0.000 0.000 0.458 193 T N 2.398 116.986 114.554 0.056 0.000 2.893 193 T HA 0.415 4.765 4.350 0.001 0.000 0.291 193 T C -1.379 173.242 174.700 -0.131 0.000 1.028 193 T CA -0.590 61.492 62.100 -0.030 0.000 0.995 193 T CB 1.488 70.314 68.868 -0.069 0.000 1.051 193 T HN 0.707 8.947 8.240 0.000 0.000 0.470 194 c N 3.338 121.756 118.600 -0.303 0.000 2.344 194 c HA 0.572 5.142 4.570 0.001 0.000 0.326 194 c C -0.600 173.263 174.090 -0.378 0.000 1.201 194 c CA -0.442 55.510 56.329 -0.627 0.000 1.410 194 c CB -0.592 41.512 42.510 -0.676 0.000 2.070 194 c HN 0.925 9.155 8.230 0.000 0.000 0.445 195 E N 3.873 123.865 120.200 -0.346 0.000 2.155 195 E HA 0.577 4.927 4.350 0.001 0.000 0.264 195 E C -0.610 175.876 176.600 -0.189 0.000 0.886 195 E CA -0.205 56.072 56.400 -0.205 0.000 0.752 195 E CB 1.901 31.519 29.700 -0.138 0.000 1.133 195 E HN 0.820 9.180 8.360 0.000 0.000 0.414 196 A N 2.909 125.635 122.820 -0.157 0.000 2.276 196 A HA 0.515 4.835 4.320 0.001 0.000 0.316 196 A C -0.256 177.277 177.584 -0.084 0.000 1.229 196 A CA -0.491 51.460 52.037 -0.144 0.000 0.851 196 A CB 0.888 19.786 19.000 -0.171 0.000 1.165 196 A HN 0.464 8.614 8.150 0.000 0.000 0.513 197 T N 3.197 117.716 114.554 -0.058 0.000 2.770 197 T HA 0.537 4.887 4.350 0.001 0.000 0.283 197 T C -0.578 174.145 174.700 0.039 0.000 0.988 197 T CA -0.129 61.963 62.100 -0.012 0.000 0.957 197 T CB 0.420 69.278 68.868 -0.016 0.000 0.930 197 T HN 0.733 8.973 8.240 0.000 0.000 0.443 198 H N 1.473 120.499 119.070 -0.073 0.000 2.980 198 H HA 0.324 4.881 4.556 0.001 0.000 0.367 198 H C 0.758 176.074 175.328 -0.019 0.000 1.206 198 H CA -0.733 55.276 56.048 -0.066 0.000 1.126 198 H CB 2.127 31.830 29.762 -0.098 0.000 1.838 198 H HN 0.598 8.878 8.280 0.000 0.000 0.552 199 K N 0.754 120.862 120.400 -0.486 0.000 2.152 199 K HA -0.126 4.194 4.320 0.001 0.000 0.206 199 K C 1.254 177.802 176.600 -0.087 0.000 1.048 199 K CA 2.158 58.284 56.287 -0.268 0.000 0.933 199 K CB -0.099 32.206 32.500 -0.325 0.000 0.721 199 K HN 0.647 8.897 8.250 0.000 0.000 0.447 200 T N -1.858 112.715 114.554 0.031 0.000 3.051 200 T HA -0.032 4.318 4.350 0.001 0.000 0.269 200 T C 0.875 175.633 174.700 0.098 0.000 1.127 200 T CA 0.501 62.691 62.100 0.150 0.000 1.107 200 T CB 0.021 69.076 68.868 0.312 0.000 0.898 200 T HN 0.098 8.338 8.240 0.000 0.000 0.517 201 S N 0.181 115.923 115.700 0.071 0.000 2.536 201 S HA 0.448 4.918 4.470 0.001 0.000 0.271 201 S C 1.033 175.646 174.600 0.022 0.000 1.134 201 S CA -0.169 58.059 58.200 0.046 0.000 0.897 201 S CB 1.729 64.958 63.200 0.049 0.000 1.094 201 S HN 0.350 8.660 8.310 0.000 0.000 0.473 202 T N 0.767 115.330 114.554 0.014 0.000 2.951 202 T HA 0.117 4.467 4.350 0.001 0.000 0.268 202 T C 0.918 175.619 174.700 0.001 0.000 1.073 202 T CA 0.953 63.056 62.100 0.005 0.000 1.134 202 T CB -0.456 68.415 68.868 0.004 0.000 0.884 202 T HN 0.827 9.067 8.240 0.000 0.000 0.479 203 S N 1.615 117.317 115.700 0.002 0.000 2.568 203 S HA 0.679 5.149 4.470 0.001 0.000 0.302 203 S C -3.099 171.497 174.600 -0.007 0.000 1.082 203 S CA -1.818 56.379 58.200 -0.005 0.000 1.009 203 S CB 1.931 65.127 63.200 -0.007 0.000 1.069 203 S HN 0.109 8.419 8.310 0.000 0.000 0.500 204 P HA 0.271 4.691 4.420 0.000 0.000 0.270 204 P C -0.700 176.580 177.300 -0.032 0.000 1.223 204 P CA -0.373 62.710 63.100 -0.028 0.000 0.785 204 P CB 0.352 32.027 31.700 -0.043 0.000 0.923 205 I N 1.320 121.864 120.570 -0.044 0.000 2.325 205 I HA 0.157 4.327 4.170 0.001 0.000 0.291 205 I C 0.148 176.221 176.117 -0.072 0.000 1.019 205 I CA -0.637 60.634 61.300 -0.049 0.000 1.302 205 I CB 1.055 39.025 38.000 -0.050 0.000 1.401 205 I HN -0.016 8.194 8.210 0.000 0.000 0.485 206 V N 7.348 127.224 119.914 -0.063 0.000 2.459 206 V HA 0.484 4.604 4.120 0.001 0.000 0.295 206 V C -0.016 176.037 176.094 -0.070 0.000 1.029 206 V CA -0.783 61.471 62.300 -0.078 0.000 0.874 206 V CB 1.749 33.535 31.823 -0.062 0.000 0.985 206 V HN 0.561 8.751 8.190 0.000 0.000 0.438 207 K N 2.928 123.274 120.400 -0.089 0.000 2.371 207 K HA 0.833 5.153 4.320 0.001 0.000 0.251 207 K C -0.656 175.921 176.600 -0.038 0.000 0.934 207 K CA -0.411 55.841 56.287 -0.058 0.000 0.798 207 K CB 2.377 34.835 32.500 -0.071 0.000 1.204 207 K HN 0.943 9.193 8.250 0.000 0.000 0.427 208 S N 0.576 116.289 115.700 0.022 0.000 2.611 208 S HA 0.801 5.271 4.470 0.001 0.000 0.268 208 S C -1.131 173.572 174.600 0.172 0.000 1.156 208 S CA -1.027 57.201 58.200 0.047 0.000 0.817 208 S CB 1.139 64.317 63.200 -0.036 0.000 1.122 208 S HN 0.512 8.822 8.310 0.000 0.000 0.466 209 F N -0.920 119.089 119.950 0.099 0.000 2.645 209 F HA 0.705 5.232 4.527 0.001 0.000 0.310 209 F C -1.214 174.671 175.800 0.143 0.000 1.102 209 F CA -0.987 57.070 58.000 0.095 0.000 0.952 209 F CB 1.207 40.258 39.000 0.086 0.000 1.326 209 F HN 0.653 8.953 8.300 0.000 0.000 0.456 210 N N 1.974 120.841 118.700 0.278 0.000 2.362 210 N HA 0.338 5.078 4.740 0.001 0.000 0.298 210 N C 0.192 175.889 175.510 0.312 0.000 1.048 210 N CA -0.851 52.308 53.050 0.183 0.000 0.858 210 N CB 2.422 40.966 38.487 0.094 0.000 1.218 210 N HN 0.635 9.015 8.380 0.000 0.000 0.488 211 R N 0.993 121.653 120.500 0.265 0.000 2.115 211 R HA -0.089 4.251 4.340 0.001 0.000 0.230 211 R C 0.973 177.348 176.300 0.124 0.000 1.111 211 R CA 1.009 57.241 56.100 0.220 0.000 0.976 211 R CB -0.232 30.136 30.300 0.113 0.000 0.870 211 R HN 0.597 8.867 8.270 0.000 0.000 0.445 212 N N 1.318 120.070 118.700 0.088 0.000 2.551 212 N HA -0.064 4.676 4.740 0.001 0.000 0.199 212 N C -0.242 175.303 175.510 0.059 0.000 1.277 212 N CA 0.470 53.553 53.050 0.056 0.000 0.870 212 N CB 0.016 38.523 38.487 0.034 0.000 1.028 212 N HN 0.287 8.667 8.380 0.000 0.000 0.452 213 E N 0.000 120.249 120.200 0.082 0.000 2.725 213 E HA 0.000 4.350 4.350 0.001 0.000 0.291 213 E CA 0.000 56.441 56.400 0.069 0.000 0.976 213 E CB 0.000 29.750 29.700 0.082 0.000 0.812 213 E HN 0.000 8.360 8.360 0.000 0.000 0.440