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 3hmw_1_L DATA FIRST_RESID 1 DATA SEQUENCE DIQMTQSPSS LSASVGDRVT ITcRASQGIS SWLAWYQQKP EKAPKSLIYA DATA SEQUENCE ASSLQSGVPS RFSGSGSGTD FTLTISSLQP EDFATYYcQQ YNIYPYTFGQ DATA SEQUENCE GTKLEIKRTV AAPSVFIFPP SDEQLKSGTA SVVcLLNNFY PREAKVQWKV DATA SEQUENCE DNALQSGNSQ ESVTEQDSKD STYSLSSTLT LSKADYEKHK VYAcEVTHQG DATA SEQUENCE LSSPVTKSFN RGEC 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 0.000 176.319 176.300 0.031 0.000 2.045 1 D CA 0.000 54.020 54.000 0.033 0.000 0.868 1 D CB 0.000 40.820 40.800 0.033 0.000 0.688 2 I N 0.860 121.447 120.570 0.028 0.000 2.416 2 I HA 0.082 4.253 4.170 0.001 0.000 0.288 2 I C 0.293 176.422 176.117 0.020 0.000 1.051 2 I CA -0.460 60.853 61.300 0.022 0.000 1.375 2 I CB 0.871 38.880 38.000 0.014 0.000 1.407 2 I HN 0.063 8.273 8.210 -0.000 0.000 0.516 3 Q N 7.005 126.820 119.800 0.027 0.000 2.294 3 Q HA 0.392 4.732 4.340 0.001 0.000 0.257 3 Q C -0.532 175.486 176.000 0.030 0.000 0.955 3 Q CA -0.269 55.554 55.803 0.033 0.000 0.936 3 Q CB 1.654 30.415 28.738 0.039 0.000 1.188 3 Q HN 0.449 8.719 8.270 -0.000 0.000 0.420 4 M N 2.351 121.969 119.600 0.031 0.000 2.129 4 M HA 0.305 4.786 4.480 0.001 0.000 0.348 4 M C -0.362 175.970 176.300 0.054 0.000 1.116 4 M CA -0.298 55.016 55.300 0.024 0.000 1.022 4 M CB 0.874 33.469 32.600 -0.008 0.000 1.599 4 M HN 0.251 8.540 8.290 -0.000 0.000 0.449 5 T N 3.831 118.421 114.554 0.059 0.000 2.864 5 T HA 0.444 4.795 4.350 0.001 0.000 0.310 5 T C 0.212 174.966 174.700 0.091 0.000 1.040 5 T CA -0.696 61.448 62.100 0.074 0.000 0.977 5 T CB 1.024 69.932 68.868 0.067 0.000 0.976 5 T HN 0.509 8.749 8.240 -0.000 0.000 0.459 6 Q N 1.768 121.630 119.800 0.104 0.000 2.317 6 Q HA 0.723 5.064 4.340 0.001 0.000 0.229 6 Q C -0.120 175.952 176.000 0.120 0.000 0.984 6 Q CA -0.856 55.033 55.803 0.142 0.000 0.911 6 Q CB 1.051 29.890 28.738 0.168 0.000 1.217 6 Q HN 0.784 9.054 8.270 -0.000 0.000 0.501 7 S N -0.768 115.010 115.700 0.131 0.000 2.556 7 S HA 0.469 4.940 4.470 0.001 0.000 0.280 7 S C -2.896 171.755 174.600 0.086 0.000 1.141 7 S CA -1.297 56.959 58.200 0.093 0.000 0.883 7 S CB 1.461 64.708 63.200 0.078 0.000 1.103 7 S HN 0.377 8.687 8.310 -0.000 0.000 0.453 8 P HA 0.339 4.759 4.420 -0.000 0.000 0.275 8 P C 0.467 177.804 177.300 0.062 0.000 1.270 8 P CA -0.415 62.720 63.100 0.058 0.000 0.791 8 P CB 0.555 32.284 31.700 0.048 0.000 1.089 9 S N -1.344 114.389 115.700 0.055 0.000 2.453 9 S HA 0.020 4.491 4.470 0.001 0.000 0.231 9 S C 0.933 175.562 174.600 0.049 0.000 1.005 9 S CA 0.904 59.134 58.200 0.050 0.000 0.949 9 S CB -0.368 62.861 63.200 0.047 0.000 0.774 9 S HN 0.773 9.083 8.310 -0.000 0.000 0.510 10 S N 0.195 115.929 115.700 0.056 0.000 2.565 10 S HA 0.655 5.125 4.470 0.001 0.000 0.274 10 S C -1.263 173.379 174.600 0.069 0.000 1.144 10 S CA -1.206 57.034 58.200 0.067 0.000 0.849 10 S CB 1.146 64.390 63.200 0.073 0.000 1.103 10 S HN 0.373 8.683 8.310 -0.000 0.000 0.455 11 L N -0.847 120.424 121.223 0.080 0.000 2.518 11 L HA 0.963 5.303 4.340 0.001 0.000 0.257 11 L C -0.818 176.111 176.870 0.097 0.000 0.980 11 L CA -0.745 54.139 54.840 0.074 0.000 0.837 11 L CB 1.746 43.835 42.059 0.050 0.000 1.410 11 L HN 0.747 8.977 8.230 -0.000 0.000 0.410 12 S N 1.119 116.875 115.700 0.094 0.000 2.482 12 S HA 0.944 5.415 4.470 0.001 0.000 0.303 12 S C -0.647 174.003 174.600 0.083 0.000 1.091 12 S CA 0.190 58.459 58.200 0.115 0.000 1.057 12 S CB 1.544 64.826 63.200 0.136 0.000 1.031 12 S HN 1.234 9.544 8.310 -0.000 0.000 0.485 13 A N 3.312 126.179 122.820 0.078 0.000 2.486 13 A HA 0.739 5.059 4.320 0.001 0.000 0.300 13 A C -0.213 177.388 177.584 0.029 0.000 1.048 13 A CA -0.659 51.403 52.037 0.042 0.000 0.696 13 A CB 1.627 20.638 19.000 0.018 0.000 1.278 13 A HN 0.716 8.866 8.150 -0.000 0.000 0.405 14 S N 0.167 115.872 115.700 0.009 0.000 2.585 14 S HA 0.370 4.841 4.470 0.001 0.000 0.273 14 S C 0.554 175.140 174.600 -0.024 0.000 1.339 14 S CA -0.444 57.747 58.200 -0.015 0.000 1.028 14 S CB 0.777 63.966 63.200 -0.018 0.000 0.906 14 S HN 0.712 9.022 8.310 -0.000 0.000 0.528 15 V N 2.356 122.247 119.914 -0.037 0.000 2.673 15 V HA 0.369 4.489 4.120 0.001 0.000 0.303 15 V C 1.528 177.598 176.094 -0.040 0.000 1.046 15 V CA 1.181 63.458 62.300 -0.038 0.000 1.126 15 V CB -0.068 31.728 31.823 -0.045 0.000 0.934 15 V HN 1.259 9.449 8.190 -0.000 0.000 0.487 16 G N 3.112 111.885 108.800 -0.046 0.000 2.175 16 G HA2 -0.183 3.778 3.960 0.001 0.000 0.244 16 G HA3 -0.183 3.778 3.960 0.001 0.000 0.244 16 G C -0.085 174.784 174.900 -0.051 0.000 0.982 16 G CA 0.087 45.158 45.100 -0.049 0.000 0.641 16 G HN 0.689 8.979 8.290 -0.000 0.000 0.527 17 D N 0.032 120.402 120.400 -0.050 0.000 2.354 17 D HA 0.510 5.150 4.640 0.001 0.000 0.247 17 D C 0.991 177.248 176.300 -0.071 0.000 1.138 17 D CA -0.221 53.749 54.000 -0.050 0.000 0.958 17 D CB 0.611 41.389 40.800 -0.037 0.000 1.144 17 D HN 0.641 9.011 8.370 -0.000 0.000 0.458 18 R N -0.297 120.160 120.500 -0.072 0.000 2.368 18 R HA 0.532 4.872 4.340 0.001 0.000 0.302 18 R C -0.803 175.443 176.300 -0.091 0.000 1.002 18 R CA -0.747 55.297 56.100 -0.094 0.000 0.929 18 R CB 0.996 31.244 30.300 -0.086 0.000 1.073 18 R HN 0.260 8.530 8.270 -0.000 0.000 0.464 19 V N 0.097 119.939 119.914 -0.121 0.000 2.769 19 V HA 0.692 4.812 4.120 0.001 0.000 0.312 19 V C -0.891 175.115 176.094 -0.147 0.000 1.061 19 V CA -0.454 61.777 62.300 -0.116 0.000 0.931 19 V CB 2.182 33.933 31.823 -0.119 0.000 1.010 19 V HN 0.874 9.064 8.190 -0.000 0.000 0.433 20 T N 5.843 120.322 114.554 -0.124 0.000 3.050 20 T HA 0.586 4.937 4.350 0.001 0.000 0.310 20 T C -0.502 174.129 174.700 -0.114 0.000 0.978 20 T CA -0.063 61.957 62.100 -0.134 0.000 1.013 20 T CB 0.715 69.529 68.868 -0.090 0.000 1.000 20 T HN 0.693 8.933 8.240 -0.000 0.000 0.447 21 I N 3.477 123.940 120.570 -0.178 0.000 2.428 21 I HA 0.482 4.653 4.170 0.001 0.000 0.296 21 I C 0.903 177.028 176.117 0.013 0.000 0.985 21 I CA -0.633 60.614 61.300 -0.090 0.000 1.260 21 I CB 1.739 39.652 38.000 -0.145 0.000 1.389 21 I HN 0.585 8.795 8.210 -0.000 0.000 0.484 22 T N 1.457 116.101 114.554 0.150 0.000 2.940 22 T HA 0.589 4.939 4.350 0.001 0.000 0.288 22 T C -0.797 174.120 174.700 0.363 0.000 1.033 22 T CA -0.804 61.442 62.100 0.243 0.000 1.033 22 T CB 1.879 70.832 68.868 0.142 0.000 1.079 22 T HN 0.686 8.926 8.240 -0.000 0.000 0.496 23 c N 2.699 121.524 118.600 0.374 0.000 2.716 23 c HA 0.742 5.312 4.570 0.001 0.000 0.366 23 c C -0.879 173.354 174.090 0.238 0.000 1.073 23 c CA -0.706 55.783 56.329 0.267 0.000 1.260 23 c CB 0.072 42.664 42.510 0.136 0.000 1.755 23 c HN 1.215 9.445 8.230 -0.000 0.000 0.475 24 R N 4.576 125.171 120.500 0.158 0.000 2.599 24 R HA 0.887 5.228 4.340 0.001 0.000 0.295 24 R C -0.690 175.674 176.300 0.107 0.000 0.963 24 R CA -0.391 55.799 56.100 0.150 0.000 0.883 24 R CB 1.524 31.886 30.300 0.104 0.000 1.171 24 R HN 0.764 9.034 8.270 -0.000 0.000 0.450 25 A N 1.578 124.471 122.820 0.123 0.000 2.305 25 A HA 0.343 4.663 4.320 0.001 0.000 0.322 25 A C 0.987 178.608 177.584 0.061 0.000 1.187 25 A CA -0.557 51.525 52.037 0.075 0.000 0.825 25 A CB 1.251 20.297 19.000 0.077 0.000 1.164 25 A HN 0.991 9.141 8.150 -0.000 0.000 0.498 26 S N 1.750 117.476 115.700 0.044 0.000 2.442 26 S HA -0.088 4.382 4.470 0.001 0.000 0.236 26 S C 0.612 175.234 174.600 0.036 0.000 1.007 26 S CA 1.191 59.414 58.200 0.038 0.000 0.965 26 S CB -0.301 62.919 63.200 0.034 0.000 0.773 26 S HN 0.770 9.080 8.310 -0.000 0.000 0.504 27 Q N -0.272 119.551 119.800 0.039 0.000 2.484 27 Q HA 0.607 4.948 4.340 0.001 0.000 0.285 27 Q C -0.292 175.737 176.000 0.048 0.000 1.097 27 Q CA -0.837 54.989 55.803 0.038 0.000 0.802 27 Q CB 1.581 30.339 28.738 0.035 0.000 1.444 27 Q HN 0.317 8.587 8.270 -0.000 0.000 0.429 28 G N 1.037 109.864 108.800 0.045 0.000 2.305 28 G HA2 0.291 4.252 3.960 0.001 0.000 0.243 28 G HA3 0.291 4.252 3.960 0.001 0.000 0.243 28 G C 0.438 175.375 174.900 0.062 0.000 1.288 28 G CA -0.001 45.131 45.100 0.053 0.000 0.901 28 G HN 0.680 8.970 8.290 -0.000 0.000 0.516 29 I N -0.030 120.591 120.570 0.084 0.000 4.102 29 I HA 0.378 4.548 4.170 0.001 0.000 0.325 29 I C 0.876 177.007 176.117 0.024 0.000 1.471 29 I CA 0.130 61.460 61.300 0.051 0.000 1.133 29 I CB 0.140 38.119 38.000 -0.035 0.000 1.184 29 I HN 0.631 8.841 8.210 -0.000 0.000 0.451 30 S N 1.735 117.450 115.700 0.025 0.000 4.151 30 S HA -0.308 4.163 4.470 0.001 0.000 0.603 30 S C 1.004 175.541 174.600 -0.104 0.000 1.878 30 S CA 1.769 59.901 58.200 -0.113 0.000 4.246 30 S CB -1.514 61.517 63.200 -0.281 0.000 0.211 30 S HN 0.676 8.986 8.310 -0.000 0.000 0.469 31 S N -0.065 115.337 115.700 -0.497 0.000 2.819 31 S HA 0.301 4.772 4.470 0.001 0.000 0.249 31 S C -0.572 173.681 174.600 -0.579 0.000 1.030 31 S CA -0.155 57.823 58.200 -0.371 0.000 1.052 31 S CB 0.132 63.077 63.200 -0.424 0.000 1.017 31 S HN 0.576 8.886 8.310 -0.000 0.000 0.576 32 W N 2.657 123.712 121.300 -0.409 0.000 1.303 32 W HA 0.516 5.177 4.660 0.001 0.000 0.478 32 W C -0.170 175.584 176.519 -1.276 0.000 0.604 32 W CA -0.655 56.090 57.345 -1.001 0.000 2.319 32 W CB -0.207 28.632 29.460 -1.035 0.000 1.443 32 W HN 0.149 8.329 8.180 -0.000 0.000 0.249 33 L N 1.758 122.592 121.223 -0.648 0.000 2.381 33 L HA 0.905 5.245 4.340 0.001 0.000 0.268 33 L C -0.377 176.370 176.870 -0.205 0.000 0.997 33 L CA -0.713 53.769 54.840 -0.596 0.000 0.818 33 L CB 1.470 42.897 42.059 -1.054 0.000 1.310 33 L HN 0.021 8.251 8.230 -0.000 0.000 0.416 34 A N 3.076 125.790 122.820 -0.178 0.000 2.413 34 A HA 0.797 5.118 4.320 0.001 0.000 0.307 34 A C -2.111 175.251 177.584 -0.370 0.000 1.087 34 A CA -0.472 51.483 52.037 -0.135 0.000 0.750 34 A CB 0.870 19.811 19.000 -0.099 0.000 1.296 34 A HN 0.737 8.887 8.150 -0.000 0.000 0.423 35 W N 0.195 121.373 121.300 -0.204 0.000 2.587 35 W HA 0.658 5.319 4.660 0.001 0.000 0.324 35 W C -1.157 175.215 176.519 -0.245 0.000 1.040 35 W CA 0.062 57.353 57.345 -0.089 0.000 1.222 35 W CB 1.529 30.997 29.460 0.013 0.000 1.381 35 W HN 0.618 8.798 8.180 -0.000 0.000 0.483 36 Y N 1.105 121.665 120.300 0.434 0.000 2.509 36 Y HA 0.400 4.951 4.550 0.001 0.000 0.341 36 Y C 0.012 176.065 175.900 0.254 0.000 1.038 36 Y CA -1.323 56.944 58.100 0.278 0.000 1.089 36 Y CB 1.927 40.511 38.460 0.208 0.000 1.241 36 Y HN 0.265 8.545 8.280 -0.000 0.000 0.468 37 Q N 2.558 122.487 119.800 0.215 0.000 2.322 37 Q HA 0.323 4.664 4.340 0.001 0.000 0.265 37 Q C -1.497 174.448 176.000 -0.091 0.000 0.985 37 Q CA -0.793 54.945 55.803 -0.108 0.000 0.849 37 Q CB 1.650 30.288 28.738 -0.166 0.000 1.274 37 Q HN 0.783 9.053 8.270 -0.000 0.000 0.449 38 Q N 3.969 123.667 119.800 -0.170 0.000 2.320 38 Q HA 0.329 4.670 4.340 0.001 0.000 0.268 38 Q C -1.399 174.490 176.000 -0.185 0.000 1.023 38 Q CA -0.470 55.274 55.803 -0.098 0.000 0.744 38 Q CB 1.294 30.049 28.738 0.028 0.000 1.246 38 Q HN 0.494 8.764 8.270 -0.000 0.000 0.462 39 K N 4.224 124.534 120.400 -0.150 0.000 2.144 39 K HA 0.409 4.729 4.320 0.001 0.000 0.270 39 K C -2.326 174.224 176.600 -0.085 0.000 1.005 39 K CA -1.845 54.352 56.287 -0.150 0.000 0.932 39 K CB 0.811 33.271 32.500 -0.068 0.000 1.021 39 K HN 0.448 8.698 8.250 -0.000 0.000 0.462 40 P HA -0.158 4.262 4.420 -0.000 0.000 0.263 40 P C -0.491 176.821 177.300 0.020 0.000 1.175 40 P CA 0.758 63.863 63.100 0.007 0.000 0.761 40 P CB 0.444 32.209 31.700 0.110 0.000 0.794 41 E N -1.420 118.786 120.200 0.010 0.000 3.801 41 E HA -0.177 4.173 4.350 0.001 0.000 0.319 41 E C 0.055 176.650 176.600 -0.009 0.000 0.784 41 E CA 1.330 57.733 56.400 0.006 0.000 1.183 41 E CB -1.132 28.580 29.700 0.020 0.000 1.601 41 E HN 0.586 8.946 8.360 -0.000 0.000 0.441 42 K N -0.278 120.109 120.400 -0.021 0.000 2.350 42 K HA 0.755 5.076 4.320 0.001 0.000 0.241 42 K C 0.057 176.627 176.600 -0.050 0.000 0.994 42 K CA -0.174 56.095 56.287 -0.029 0.000 0.839 42 K CB 1.915 34.400 32.500 -0.024 0.000 1.244 42 K HN 0.054 8.304 8.250 -0.000 0.000 0.443 43 A N 1.941 124.730 122.820 -0.053 0.000 2.304 43 A HA 0.526 4.847 4.320 0.001 0.000 0.271 43 A C -2.219 175.320 177.584 -0.074 0.000 1.091 43 A CA -1.168 50.823 52.037 -0.077 0.000 0.812 43 A CB -0.439 18.521 19.000 -0.068 0.000 1.056 43 A HN 0.333 8.483 8.150 -0.000 0.000 0.489 44 P HA 0.207 4.627 4.420 -0.000 0.000 0.269 44 P C -0.644 176.668 177.300 0.019 0.000 1.209 44 P CA -0.003 63.056 63.100 -0.069 0.000 0.776 44 P CB 0.466 32.041 31.700 -0.208 0.000 0.876 45 K N 1.533 121.984 120.400 0.085 0.000 2.270 45 K HA 0.423 4.743 4.320 0.001 0.000 0.255 45 K C -0.771 175.946 176.600 0.196 0.000 0.936 45 K CA -0.502 55.844 56.287 0.099 0.000 0.809 45 K CB 0.940 33.455 32.500 0.025 0.000 1.131 45 K HN 0.318 8.568 8.250 -0.000 0.000 0.427 46 S N 4.392 120.196 115.700 0.174 0.000 2.499 46 S HA 0.232 4.702 4.470 0.001 0.000 0.275 46 S C 0.973 175.575 174.600 0.003 0.000 1.257 46 S CA -0.593 57.660 58.200 0.089 0.000 1.050 46 S CB 0.768 64.013 63.200 0.074 0.000 0.937 46 S HN 0.575 8.885 8.310 -0.000 0.000 0.490 47 L N 2.373 123.574 121.223 -0.036 0.000 2.435 47 L HA 0.481 4.821 4.340 0.001 0.000 0.195 47 L C 0.090 176.991 176.870 0.052 0.000 1.072 47 L CA 0.610 55.418 54.840 -0.054 0.000 0.833 47 L CB 0.028 41.995 42.059 -0.153 0.000 1.081 47 L HN 0.490 8.720 8.230 -0.000 0.000 0.485 48 I N -0.904 119.727 120.570 0.103 0.000 2.769 48 I HA 0.310 4.481 4.170 0.001 0.000 0.298 48 I C -1.347 174.900 176.117 0.217 0.000 1.128 48 I CA -0.886 60.514 61.300 0.167 0.000 1.031 48 I CB 2.549 40.663 38.000 0.192 0.000 1.235 48 I HN -0.023 8.187 8.210 -0.000 0.000 0.423 49 Y N 2.931 123.275 120.300 0.073 0.000 2.644 49 Y HA 0.760 5.310 4.550 0.001 0.000 0.338 49 Y C 0.338 176.335 175.900 0.161 0.000 1.119 49 Y CA -1.514 56.652 58.100 0.110 0.000 1.060 49 Y CB 1.086 39.590 38.460 0.073 0.000 1.294 49 Y HN 0.746 9.026 8.280 -0.000 0.000 0.472 50 A N 0.715 123.727 122.820 0.321 0.000 2.704 50 A HA 0.074 4.394 4.320 0.001 0.000 0.299 50 A C 1.606 179.153 177.584 -0.061 0.000 1.507 50 A CA 2.562 54.671 52.037 0.121 0.000 0.776 50 A CB -2.203 16.866 19.000 0.117 0.000 1.027 50 A HN 2.814 10.964 8.150 -0.000 0.000 0.475 51 A N -3.007 119.803 122.820 -0.016 0.000 2.070 51 A HA -0.238 4.083 4.320 0.001 0.000 0.231 51 A C 2.288 179.942 177.584 0.116 0.000 0.501 51 A CA 2.811 54.904 52.037 0.092 0.000 1.119 51 A CB -2.201 16.902 19.000 0.173 0.000 1.430 51 A HN 2.509 10.659 8.150 -0.000 0.000 0.706 52 S N -1.294 114.398 115.700 -0.013 0.000 2.679 52 S HA 0.445 4.916 4.470 0.001 0.000 0.258 52 S C 0.510 175.044 174.600 -0.110 0.000 1.068 52 S CA 1.111 59.294 58.200 -0.028 0.000 1.115 52 S CB -0.275 62.909 63.200 -0.027 0.000 1.078 52 S HN 2.213 10.523 8.310 -0.000 0.000 0.603 53 S N 2.522 118.056 115.700 -0.276 0.000 2.499 53 S HA 0.625 5.096 4.470 0.001 0.000 0.275 53 S C -0.374 174.054 174.600 -0.287 0.000 1.257 53 S CA -0.653 57.319 58.200 -0.380 0.000 1.050 53 S CB 0.707 63.479 63.200 -0.714 0.000 0.937 53 S HN 0.333 8.643 8.310 -0.000 0.000 0.490 54 L N 3.399 124.580 121.223 -0.070 0.000 2.367 54 L HA 0.252 4.593 4.340 0.001 0.000 0.275 54 L C 0.623 177.597 176.870 0.174 0.000 1.129 54 L CA 0.367 55.239 54.840 0.054 0.000 0.839 54 L CB 0.713 42.811 42.059 0.066 0.000 1.133 54 L HN 0.724 8.954 8.230 -0.000 0.000 0.453 55 Q N 2.230 122.165 119.800 0.225 0.000 2.337 55 Q HA 0.002 4.343 4.340 0.001 0.000 0.270 55 Q C 0.032 176.115 176.000 0.138 0.000 1.002 55 Q CA 0.114 56.062 55.803 0.240 0.000 0.888 55 Q CB 1.091 29.917 28.738 0.147 0.000 1.222 55 Q HN 0.712 8.982 8.270 -0.000 0.000 0.400 56 S N 1.668 117.439 115.700 0.118 0.000 2.811 56 S HA 0.151 4.621 4.470 0.001 0.000 0.325 56 S C 0.942 175.576 174.600 0.058 0.000 1.224 56 S CA 1.117 59.363 58.200 0.076 0.000 1.125 56 S CB -0.635 62.598 63.200 0.054 0.000 0.867 56 S HN 0.857 9.167 8.310 -0.000 0.000 0.512 57 G N 2.386 111.222 108.800 0.060 0.000 2.255 57 G HA2 -0.191 3.769 3.960 0.001 0.000 0.196 57 G HA3 -0.191 3.769 3.960 0.001 0.000 0.196 57 G C 0.130 175.067 174.900 0.061 0.000 0.998 57 G CA -0.141 44.990 45.100 0.052 0.000 0.656 57 G HN 1.716 10.006 8.290 -0.000 0.000 0.490 58 V N 1.658 121.614 119.914 0.071 0.000 2.481 58 V HA 0.796 4.916 4.120 0.001 0.000 0.286 58 V C -1.744 174.440 176.094 0.150 0.000 1.042 58 V CA -1.866 60.487 62.300 0.089 0.000 0.928 58 V CB 1.282 33.121 31.823 0.027 0.000 0.986 58 V HN 0.176 8.366 8.190 -0.000 0.000 0.462 59 P HA 0.037 4.457 4.420 -0.000 0.000 0.264 59 P C 0.887 178.305 177.300 0.196 0.000 1.179 59 P CA 0.582 63.800 63.100 0.197 0.000 0.763 59 P CB 0.709 32.547 31.700 0.230 0.000 0.806 60 S N 2.482 118.239 115.700 0.096 0.000 2.500 60 S HA -0.179 4.292 4.470 0.001 0.000 0.239 60 S C 1.564 176.174 174.600 0.016 0.000 0.989 60 S CA 0.545 58.781 58.200 0.060 0.000 0.951 60 S CB -0.696 62.520 63.200 0.027 0.000 0.759 60 S HN 0.657 8.967 8.310 -0.000 0.000 0.523 61 R N 0.098 120.572 120.500 -0.044 0.000 2.280 61 R HA 0.144 4.484 4.340 0.001 0.000 0.207 61 R C -0.523 175.580 176.300 -0.329 0.000 1.043 61 R CA 0.248 56.224 56.100 -0.207 0.000 1.006 61 R CB -0.406 29.714 30.300 -0.301 0.000 0.885 61 R HN 0.380 8.650 8.270 -0.000 0.000 0.467 62 F N 1.661 121.586 119.950 -0.042 0.000 2.394 62 F HA 0.354 4.882 4.527 0.001 0.000 0.340 62 F C 0.465 176.218 175.800 -0.078 0.000 1.105 62 F CA -0.240 57.716 58.000 -0.073 0.000 1.124 62 F CB 1.769 40.746 39.000 -0.038 0.000 1.145 62 F HN 0.110 8.410 8.300 -0.000 0.000 0.505 63 S N 0.939 116.673 115.700 0.055 0.000 2.596 63 S HA 0.919 5.389 4.470 0.001 0.000 0.270 63 S C -0.841 173.718 174.600 -0.068 0.000 1.155 63 S CA -0.802 57.395 58.200 -0.005 0.000 0.827 63 S CB 1.784 64.965 63.200 -0.032 0.000 1.130 63 S HN 1.043 9.353 8.310 -0.000 0.000 0.467 64 G N 0.771 109.553 108.800 -0.031 0.000 2.668 64 G HA2 0.572 4.533 3.960 0.001 0.000 0.284 64 G HA3 0.572 4.533 3.960 0.001 0.000 0.284 64 G C -0.496 174.445 174.900 0.069 0.000 1.456 64 G CA -0.105 44.993 45.100 -0.003 0.000 1.214 64 G HN 1.218 9.508 8.290 -0.000 0.000 0.568 65 S N 1.056 116.797 115.700 0.068 0.000 2.677 65 S HA 0.964 5.434 4.470 0.001 0.000 0.290 65 S C 0.578 175.243 174.600 0.108 0.000 1.124 65 S CA -0.159 58.074 58.200 0.054 0.000 1.017 65 S CB 1.576 64.773 63.200 -0.005 0.000 1.215 65 S HN 2.542 10.852 8.310 -0.000 0.000 0.524 66 G N -0.442 108.337 108.800 -0.035 0.000 2.675 66 G HA2 0.382 4.343 3.960 0.001 0.000 0.686 66 G HA3 0.382 4.343 3.960 0.001 0.000 0.686 66 G C -0.424 174.190 174.900 -0.478 0.000 1.215 66 G CA -0.208 44.730 45.100 -0.270 0.000 0.777 66 G HN 2.116 10.406 8.290 -0.000 0.000 0.638 67 S N 0.323 115.534 115.700 -0.815 0.000 2.625 67 S HA 0.993 5.464 4.470 0.001 0.000 0.271 67 S C 1.324 175.526 174.600 -0.662 0.000 1.161 67 S CA 0.688 58.516 58.200 -0.620 0.000 0.820 67 S CB 1.426 64.477 63.200 -0.248 0.000 1.137 67 S HN 3.055 11.365 8.310 -0.000 0.000 0.470 68 G N 1.233 109.889 108.800 -0.239 0.000 3.879 68 G HA2 -0.350 3.611 3.960 0.001 0.000 0.318 68 G HA3 -0.350 3.611 3.960 0.001 0.000 0.318 68 G C 0.860 175.764 174.900 0.005 0.000 1.344 68 G CA 1.405 46.441 45.100 -0.106 0.000 1.024 68 G HN 1.739 10.029 8.290 -0.000 0.000 0.681 69 T N 0.655 115.139 114.554 -0.117 0.000 2.969 69 T HA 0.300 4.650 4.350 0.001 0.000 0.258 69 T C -0.547 174.176 174.700 0.038 0.000 0.962 69 T CA 0.939 63.069 62.100 0.051 0.000 0.903 69 T CB 0.116 68.994 68.868 0.018 0.000 1.177 69 T HN 0.514 8.754 8.240 -0.000 0.000 0.511 70 D N 0.871 121.125 120.400 -0.244 0.000 2.502 70 D HA 0.475 5.116 4.640 0.001 0.000 0.249 70 D C -1.252 174.805 176.300 -0.404 0.000 1.092 70 D CA -0.203 53.713 54.000 -0.141 0.000 0.839 70 D CB 1.638 42.377 40.800 -0.101 0.000 1.264 70 D HN 0.185 8.555 8.370 -0.000 0.000 0.511 71 F N 0.100 120.099 119.950 0.081 0.000 2.588 71 F HA 0.479 5.007 4.527 0.001 0.000 0.314 71 F C 0.530 176.482 175.800 0.253 0.000 1.069 71 F CA -0.819 57.273 58.000 0.152 0.000 0.931 71 F CB 2.461 41.562 39.000 0.169 0.000 1.260 71 F HN 0.003 8.303 8.300 -0.000 0.000 0.465 72 T N 2.396 117.187 114.554 0.394 0.000 2.971 72 T HA 0.616 4.966 4.350 0.001 0.000 0.304 72 T C -1.958 172.715 174.700 -0.045 0.000 1.038 72 T CA -0.546 61.673 62.100 0.198 0.000 1.007 72 T CB 1.074 69.975 68.868 0.054 0.000 1.055 72 T HN 0.601 8.841 8.240 -0.000 0.000 0.451 73 L N 4.582 125.500 121.223 -0.509 0.000 2.295 73 L HA 0.788 5.129 4.340 0.001 0.000 0.285 73 L C -0.285 176.290 176.870 -0.491 0.000 1.035 73 L CA 0.305 54.617 54.840 -0.879 0.000 0.806 73 L CB 1.655 42.520 42.059 -1.991 0.000 1.214 73 L HN 0.776 9.006 8.230 -0.000 0.000 0.426 74 T N 6.226 120.586 114.554 -0.323 0.000 2.863 74 T HA 0.623 4.973 4.350 0.001 0.000 0.285 74 T C -0.405 174.157 174.700 -0.231 0.000 1.009 74 T CA -0.179 61.781 62.100 -0.234 0.000 0.989 74 T CB 1.125 69.897 68.868 -0.159 0.000 1.004 74 T HN 0.444 8.684 8.240 -0.000 0.000 0.455 75 I N 2.667 123.076 120.570 -0.267 0.000 2.411 75 I HA 0.206 4.376 4.170 0.001 0.000 0.284 75 I C 1.472 177.430 176.117 -0.265 0.000 1.012 75 I CA -0.577 60.504 61.300 -0.365 0.000 1.119 75 I CB 1.875 39.613 38.000 -0.436 0.000 1.261 75 I HN 0.772 8.982 8.210 -0.000 0.000 0.448 76 S N 3.012 118.566 115.700 -0.243 0.000 2.345 76 S HA -0.091 4.380 4.470 0.001 0.000 0.220 76 S C 1.102 175.614 174.600 -0.146 0.000 1.031 76 S CA 0.584 58.686 58.200 -0.164 0.000 0.996 76 S CB -0.027 63.093 63.200 -0.134 0.000 0.882 76 S HN 0.555 8.865 8.310 -0.000 0.000 0.445 77 S N 1.395 116.995 115.700 -0.166 0.000 2.532 77 S HA 0.500 4.971 4.470 0.001 0.000 0.256 77 S C -0.601 173.915 174.600 -0.141 0.000 1.298 77 S CA -0.881 57.242 58.200 -0.127 0.000 1.166 77 S CB -0.083 63.058 63.200 -0.099 0.000 1.022 77 S HN 0.460 8.770 8.310 -0.000 0.000 0.480 78 L N 4.951 126.100 121.223 -0.123 0.000 2.540 78 L HA 0.251 4.592 4.340 0.001 0.000 0.276 78 L C 0.071 176.905 176.870 -0.061 0.000 1.212 78 L CA 1.346 56.126 54.840 -0.101 0.000 0.893 78 L CB 0.338 42.358 42.059 -0.065 0.000 1.138 78 L HN 0.678 8.908 8.230 -0.000 0.000 0.491 79 Q N 6.469 126.246 119.800 -0.038 0.000 2.399 79 Q HA 0.400 4.741 4.340 0.001 0.000 0.276 79 Q C -1.767 174.255 176.000 0.037 0.000 1.098 79 Q CA -1.698 54.102 55.803 -0.005 0.000 0.827 79 Q CB 1.828 30.565 28.738 -0.002 0.000 1.386 79 Q HN 0.446 8.716 8.270 -0.000 0.000 0.443 80 P HA -0.208 4.212 4.420 -0.000 0.000 0.216 80 P C 0.091 177.453 177.300 0.103 0.000 1.150 80 P CA 1.530 64.653 63.100 0.039 0.000 0.837 80 P CB 0.343 32.039 31.700 -0.007 0.000 0.786 81 E N 0.027 120.288 120.200 0.102 0.000 2.333 81 E HA -0.131 4.219 4.350 0.001 0.000 0.198 81 E C 1.255 177.973 176.600 0.197 0.000 1.007 81 E CA 0.809 57.291 56.400 0.138 0.000 0.845 81 E CB -0.846 28.920 29.700 0.110 0.000 0.766 81 E HN 0.294 8.654 8.360 -0.000 0.000 0.507 82 D N 0.278 120.808 120.400 0.215 0.000 2.363 82 D HA -0.058 4.582 4.640 0.001 0.000 0.226 82 D C -0.261 176.226 176.300 0.312 0.000 1.020 82 D CA 0.062 54.243 54.000 0.301 0.000 0.892 82 D CB -0.398 40.556 40.800 0.256 0.000 0.900 82 D HN 0.194 8.564 8.370 -0.000 0.000 0.531 83 F N 1.633 121.657 119.950 0.123 0.000 2.538 83 F HA 0.280 4.808 4.527 0.001 0.000 0.382 83 F C 0.191 176.030 175.800 0.066 0.000 1.069 83 F CA -0.185 57.872 58.000 0.095 0.000 1.138 83 F CB 0.110 39.133 39.000 0.037 0.000 1.068 83 F HN -0.048 8.252 8.300 -0.000 0.000 0.556 84 A N 3.733 126.233 122.820 -0.535 0.000 2.456 84 A HA 0.523 4.844 4.320 0.001 0.000 0.294 84 A C -0.855 176.461 177.584 -0.446 0.000 1.057 84 A CA -0.344 51.313 52.037 -0.634 0.000 0.623 84 A CB 0.873 19.543 19.000 -0.549 0.000 1.338 84 A HN 0.743 8.893 8.150 -0.000 0.000 0.464 85 T N -0.225 114.067 114.554 -0.437 0.000 2.797 85 T HA 0.697 5.048 4.350 0.001 0.000 0.279 85 T C -1.552 172.921 174.700 -0.378 0.000 0.991 85 T CA -0.155 61.777 62.100 -0.280 0.000 0.979 85 T CB 0.268 68.996 68.868 -0.233 0.000 0.943 85 T HN 0.549 8.789 8.240 -0.000 0.000 0.444 86 Y N 3.319 123.535 120.300 -0.141 0.000 2.352 86 Y HA 0.563 5.114 4.550 0.001 0.000 0.339 86 Y C -0.544 175.358 175.900 0.004 0.000 0.992 86 Y CA -0.960 57.175 58.100 0.057 0.000 1.100 86 Y CB 1.292 39.854 38.460 0.170 0.000 1.192 86 Y HN 0.612 8.892 8.280 -0.000 0.000 0.458 87 Y N 1.855 122.414 120.300 0.432 0.000 2.377 87 Y HA 0.535 5.085 4.550 0.001 0.000 0.339 87 Y C 0.277 176.378 175.900 0.334 0.000 1.011 87 Y CA -1.257 57.050 58.100 0.344 0.000 1.093 87 Y CB 1.283 39.873 38.460 0.217 0.000 1.201 87 Y HN 0.750 9.030 8.280 -0.000 0.000 0.455 88 c N 1.751 120.412 118.600 0.102 0.000 2.358 88 c HA 0.796 5.367 4.570 0.001 0.000 0.354 88 c C -0.558 173.505 174.090 -0.045 0.000 1.183 88 c CA -0.641 55.409 56.329 -0.465 0.000 2.150 88 c CB 1.248 42.998 42.510 -1.266 0.000 2.361 88 c HN 0.913 9.143 8.230 -0.000 0.000 0.535 89 Q N 1.276 120.976 119.800 -0.167 0.000 2.289 89 Q HA 0.322 4.662 4.340 0.001 0.000 0.270 89 Q C -1.436 174.414 176.000 -0.250 0.000 1.038 89 Q CA -0.162 55.546 55.803 -0.157 0.000 0.812 89 Q CB 1.952 30.665 28.738 -0.042 0.000 1.300 89 Q HN 0.935 9.205 8.270 -0.000 0.000 0.427 90 Q N 3.377 123.010 119.800 -0.279 0.000 2.235 90 Q HA 0.169 4.509 4.340 0.001 0.000 0.250 90 Q C -1.440 174.394 176.000 -0.277 0.000 0.909 90 Q CA -0.175 55.442 55.803 -0.310 0.000 0.910 90 Q CB 0.764 29.364 28.738 -0.230 0.000 1.223 90 Q HN 0.828 9.098 8.270 -0.000 0.000 0.432 91 Y N 2.036 122.085 120.300 -0.418 0.000 2.685 91 Y HA 0.376 4.927 4.550 0.001 0.000 0.257 91 Y C 0.083 175.719 175.900 -0.439 0.000 1.053 91 Y CA -0.743 56.832 58.100 -0.874 0.000 1.106 91 Y CB -0.322 37.235 38.460 -1.505 0.000 1.193 91 Y HN 0.570 8.850 8.280 -0.000 0.000 0.602 92 N N 1.770 120.353 118.700 -0.195 0.000 2.415 92 N HA 0.210 4.951 4.740 0.001 0.000 0.176 92 N C -0.323 175.198 175.510 0.017 0.000 1.042 92 N CA 0.842 53.880 53.050 -0.020 0.000 0.902 92 N CB 0.429 38.982 38.487 0.110 0.000 0.986 92 N HN 0.533 8.913 8.380 -0.000 0.000 0.447 93 I N 0.020 120.615 120.570 0.042 0.000 2.710 93 I HA 0.152 4.323 4.170 0.001 0.000 0.290 93 I C -1.162 174.985 176.117 0.051 0.000 1.318 93 I CA -0.953 60.385 61.300 0.063 0.000 1.045 93 I CB 1.499 39.542 38.000 0.072 0.000 1.307 93 I HN -0.159 8.051 8.210 -0.000 0.000 0.424 94 Y N 5.026 125.343 120.300 0.029 0.000 2.497 94 Y HA 0.224 4.775 4.550 0.001 0.000 0.334 94 Y C -1.863 174.000 175.900 -0.061 0.000 1.199 94 Y CA -0.977 57.040 58.100 -0.138 0.000 1.425 94 Y CB 0.057 38.381 38.460 -0.227 0.000 1.291 94 Y HN 0.295 8.575 8.280 -0.000 0.000 0.562 95 P HA 0.144 4.564 4.420 -0.000 0.000 0.282 95 P C -1.237 176.069 177.300 0.010 0.000 1.249 95 P CA -0.568 62.542 63.100 0.017 0.000 0.806 95 P CB 0.456 32.168 31.700 0.020 0.000 0.984 96 Y N 0.448 120.692 120.300 -0.093 0.000 2.480 96 Y HA 0.300 4.850 4.550 0.001 0.000 0.338 96 Y C 1.289 177.042 175.900 -0.245 0.000 1.220 96 Y CA -0.149 57.831 58.100 -0.201 0.000 1.430 96 Y CB 0.500 38.820 38.460 -0.233 0.000 1.311 96 Y HN 0.337 8.617 8.280 -0.000 0.000 0.575 97 T N -0.142 114.317 114.554 -0.159 0.000 2.933 97 T HA 0.599 4.949 4.350 0.001 0.000 0.305 97 T C -1.013 173.480 174.700 -0.344 0.000 1.092 97 T CA -0.982 61.000 62.100 -0.196 0.000 1.008 97 T CB 1.155 70.001 68.868 -0.037 0.000 1.102 97 T HN 0.309 8.549 8.240 -0.000 0.000 0.469 98 F N 0.565 120.541 119.950 0.043 0.000 2.450 98 F HA 0.733 5.261 4.527 0.001 0.000 0.328 98 F C 1.427 177.270 175.800 0.072 0.000 1.068 98 F CA -0.531 57.503 58.000 0.057 0.000 1.007 98 F CB 0.981 40.011 39.000 0.049 0.000 1.251 98 F HN 0.976 9.276 8.300 -0.000 0.000 0.492 99 G N -0.150 108.829 108.800 0.299 0.000 2.553 99 G HA2 0.332 4.292 3.960 0.001 0.000 0.278 99 G HA3 0.332 4.292 3.960 0.001 0.000 0.278 99 G C -0.057 175.016 174.900 0.289 0.000 1.349 99 G CA -0.512 44.715 45.100 0.212 0.000 1.037 99 G HN 0.651 8.941 8.290 -0.000 0.000 0.508 100 Q N -0.753 119.163 119.800 0.192 0.000 2.425 100 Q HA 0.388 4.729 4.340 0.001 0.000 0.204 100 Q C 1.147 177.203 176.000 0.092 0.000 0.933 100 Q CA 0.401 56.315 55.803 0.184 0.000 0.939 100 Q CB -0.036 28.770 28.738 0.113 0.000 1.044 100 Q HN 1.290 9.560 8.270 -0.000 0.000 0.513 101 G N 0.531 109.296 108.800 -0.058 0.000 2.733 101 G HA2 -0.097 3.863 3.960 0.001 0.000 0.686 101 G HA3 -0.097 3.863 3.960 0.001 0.000 0.686 101 G C -0.347 174.430 174.900 -0.205 0.000 1.373 101 G CA -0.305 44.491 45.100 -0.508 0.000 0.838 101 G HN 0.610 8.900 8.290 -0.000 0.000 0.588 102 T N -0.646 113.834 114.554 -0.123 0.000 2.881 102 T HA 0.663 5.014 4.350 0.001 0.000 0.290 102 T C -0.211 174.504 174.700 0.024 0.000 1.000 102 T CA -0.774 61.326 62.100 0.000 0.000 0.978 102 T CB 1.841 70.757 68.868 0.079 0.000 0.997 102 T HN 0.611 8.851 8.240 -0.000 0.000 0.443 103 K N 3.582 123.995 120.400 0.021 0.000 2.349 103 K HA 0.276 4.597 4.320 0.001 0.000 0.288 103 K C -0.602 176.059 176.600 0.102 0.000 1.058 103 K CA -0.427 55.881 56.287 0.034 0.000 0.953 103 K CB 0.934 33.459 32.500 0.041 0.000 0.997 103 K HN 0.666 8.916 8.250 -0.000 0.000 0.477 104 L N 5.536 126.840 121.223 0.136 0.000 2.276 104 L HA 0.199 4.539 4.340 0.001 0.000 0.286 104 L C 0.237 177.263 176.870 0.260 0.000 1.024 104 L CA -0.342 54.612 54.840 0.190 0.000 0.826 104 L CB 0.591 42.807 42.059 0.261 0.000 1.211 104 L HN 0.644 8.874 8.230 -0.000 0.000 0.422 105 E N 5.669 126.046 120.200 0.294 0.000 2.222 105 E HA 0.384 4.735 4.350 0.001 0.000 0.267 105 E C -1.088 175.670 176.600 0.263 0.000 0.963 105 E CA -0.918 55.728 56.400 0.410 0.000 0.837 105 E CB 2.600 32.528 29.700 0.380 0.000 1.183 105 E HN 0.321 8.681 8.360 -0.000 0.000 0.403 106 I N 1.485 122.177 120.570 0.204 0.000 2.353 106 I HA 0.286 4.457 4.170 0.001 0.000 0.293 106 I C 0.434 176.593 176.117 0.071 0.000 0.992 106 I CA -0.710 60.646 61.300 0.094 0.000 1.268 106 I CB 0.679 38.688 38.000 0.016 0.000 1.387 106 I HN 0.521 8.731 8.210 -0.000 0.000 0.478 107 K N 6.905 127.333 120.400 0.046 0.000 2.201 107 K HA 0.582 4.902 4.320 0.001 0.000 0.278 107 K C -0.302 176.194 176.600 -0.173 0.000 1.027 107 K CA -0.493 55.813 56.287 0.033 0.000 0.909 107 K CB 1.365 33.920 32.500 0.091 0.000 1.062 107 K HN 0.744 8.994 8.250 -0.000 0.000 0.465 108 R N 0.016 120.235 120.500 -0.469 0.000 2.810 108 R HA 0.372 4.713 4.340 0.001 0.000 0.266 108 R C -0.829 175.250 176.300 -0.369 0.000 1.061 108 R CA -1.043 54.785 56.100 -0.455 0.000 0.943 108 R CB 0.286 30.261 30.300 -0.543 0.000 1.237 108 R HN 0.550 8.820 8.270 -0.000 0.000 0.459 109 T N -0.998 113.438 114.554 -0.196 0.000 2.856 109 T HA 0.242 4.593 4.350 0.001 0.000 0.306 109 T C 0.593 175.311 174.700 0.030 0.000 1.062 109 T CA -0.741 61.329 62.100 -0.050 0.000 1.083 109 T CB 0.767 69.621 68.868 -0.025 0.000 0.984 109 T HN 0.305 8.545 8.240 -0.000 0.000 0.542 110 V N 1.807 121.810 119.914 0.148 0.000 2.655 110 V HA 0.500 4.621 4.120 0.001 0.000 0.300 110 V C 0.726 176.951 176.094 0.218 0.000 1.044 110 V CA -0.056 62.404 62.300 0.267 0.000 1.095 110 V CB 0.175 32.124 31.823 0.211 0.000 0.952 110 V HN 1.259 9.449 8.190 -0.000 0.000 0.485 111 A N 4.281 127.282 122.820 0.302 0.000 2.359 111 A HA 0.847 5.168 4.320 0.001 0.000 0.303 111 A C -0.052 177.666 177.584 0.224 0.000 1.066 111 A CA -0.247 51.917 52.037 0.213 0.000 0.730 111 A CB 1.345 20.443 19.000 0.163 0.000 1.211 111 A HN 1.273 9.423 8.150 -0.000 0.000 0.439 112 A N 3.334 126.242 122.820 0.147 0.000 2.386 112 A HA 0.713 5.033 4.320 0.001 0.000 0.248 112 A C -2.531 175.050 177.584 -0.005 0.000 1.082 112 A CA -1.205 50.877 52.037 0.075 0.000 0.789 112 A CB -0.410 18.632 19.000 0.070 0.000 1.025 112 A HN 0.541 8.691 8.150 -0.000 0.000 0.490 113 P HA 0.295 4.715 4.420 -0.000 0.000 0.278 113 P C -0.658 176.602 177.300 -0.067 0.000 1.238 113 P CA -0.169 62.880 63.100 -0.085 0.000 0.794 113 P CB 1.082 32.572 31.700 -0.351 0.000 0.955 114 S N 1.128 116.822 115.700 -0.010 0.000 2.429 114 S HA 0.374 4.845 4.470 0.001 0.000 0.302 114 S C -0.153 174.289 174.600 -0.263 0.000 1.115 114 S CA -0.546 57.575 58.200 -0.131 0.000 1.095 114 S CB 0.323 63.519 63.200 -0.005 0.000 0.987 114 S HN 0.121 8.431 8.310 -0.000 0.000 0.474 115 V N 4.985 124.613 119.914 -0.476 0.000 2.427 115 V HA 0.601 4.722 4.120 0.001 0.000 0.286 115 V C -0.785 174.884 176.094 -0.708 0.000 1.034 115 V CA -0.485 61.572 62.300 -0.405 0.000 0.893 115 V CB 0.627 32.287 31.823 -0.270 0.000 0.982 115 V HN 0.754 8.944 8.190 -0.000 0.000 0.452 116 F N 4.110 124.006 119.950 -0.090 0.000 2.576 116 F HA 0.696 5.223 4.527 0.001 0.000 0.313 116 F C -0.255 175.385 175.800 -0.267 0.000 1.078 116 F CA -0.686 57.183 58.000 -0.219 0.000 0.921 116 F CB 2.054 40.886 39.000 -0.279 0.000 1.232 116 F HN 0.308 8.608 8.300 -0.000 0.000 0.459 117 I N 2.124 122.573 120.570 -0.201 0.000 2.582 117 I HA 0.554 4.725 4.170 0.001 0.000 0.292 117 I C -1.794 174.121 176.117 -0.336 0.000 1.066 117 I CA -0.715 60.527 61.300 -0.096 0.000 1.053 117 I CB 1.558 39.648 38.000 0.149 0.000 1.241 117 I HN 0.453 8.663 8.210 -0.000 0.000 0.421 118 F N 7.429 127.470 119.950 0.151 0.000 2.449 118 F HA 0.564 5.092 4.527 0.001 0.000 0.342 118 F C -2.208 173.529 175.800 -0.105 0.000 1.127 118 F CA -2.228 55.772 58.000 0.000 0.000 0.975 118 F CB 1.036 40.038 39.000 0.004 0.000 1.146 118 F HN 0.251 8.551 8.300 -0.000 0.000 0.444 119 P HA 0.136 4.556 4.420 -0.000 0.000 0.272 119 P C -2.570 174.612 177.300 -0.198 0.000 1.254 119 P CA -1.015 61.747 63.100 -0.564 0.000 0.795 119 P CB -0.080 31.078 31.700 -0.904 0.000 1.022 120 P HA 0.058 4.478 4.420 -0.000 0.000 0.271 120 P C -0.190 177.019 177.300 -0.152 0.000 1.216 120 P CA 0.027 62.978 63.100 -0.248 0.000 0.776 120 P CB 0.142 31.535 31.700 -0.512 0.000 0.881 121 S N 1.240 116.869 115.700 -0.118 0.000 2.585 121 S HA 0.080 4.551 4.470 0.001 0.000 0.273 121 S C 0.887 175.453 174.600 -0.057 0.000 1.339 121 S CA -0.233 57.921 58.200 -0.076 0.000 1.028 121 S CB 0.396 63.553 63.200 -0.071 0.000 0.906 121 S HN 0.350 8.660 8.310 -0.000 0.000 0.528 122 D N 1.575 121.958 120.400 -0.029 0.000 2.123 122 D HA -0.137 4.504 4.640 0.001 0.000 0.196 122 D C 2.106 178.398 176.300 -0.015 0.000 0.992 122 D CA 1.641 55.636 54.000 -0.008 0.000 0.833 122 D CB -0.116 40.685 40.800 0.001 0.000 0.954 122 D HN 0.863 9.233 8.370 -0.000 0.000 0.455 123 E N 1.090 121.276 120.200 -0.024 0.000 2.051 123 E HA -0.243 4.107 4.350 0.001 0.000 0.192 123 E C 2.071 178.652 176.600 -0.031 0.000 0.991 123 E CA 0.793 57.178 56.400 -0.024 0.000 0.799 123 E CB -0.742 28.942 29.700 -0.028 0.000 0.748 123 E HN 0.415 8.775 8.360 -0.000 0.000 0.449 124 Q N 0.975 120.746 119.800 -0.048 0.000 2.096 124 Q HA -0.141 4.200 4.340 0.001 0.000 0.204 124 Q C 2.544 178.513 176.000 -0.052 0.000 0.982 124 Q CA 1.219 56.987 55.803 -0.059 0.000 0.850 124 Q CB -0.136 28.550 28.738 -0.087 0.000 0.901 124 Q HN 0.322 8.592 8.270 -0.000 0.000 0.422 125 L N 0.503 121.696 121.223 -0.049 0.000 2.127 125 L HA -0.211 4.129 4.340 0.001 0.000 0.211 125 L C 2.459 179.330 176.870 0.001 0.000 1.089 125 L CA 1.274 56.101 54.840 -0.022 0.000 0.757 125 L CB -0.312 41.755 42.059 0.013 0.000 0.899 125 L HN 0.185 8.415 8.230 -0.000 0.000 0.434 126 K N -0.304 120.094 120.400 -0.003 0.000 2.283 126 K HA -0.100 4.221 4.320 0.001 0.000 0.202 126 K C 2.009 178.607 176.600 -0.003 0.000 1.048 126 K CA 1.398 57.686 56.287 0.002 0.000 0.948 126 K CB -0.012 32.487 32.500 -0.000 0.000 0.742 126 K HN 0.351 8.601 8.250 -0.000 0.000 0.458 127 S N -1.044 114.649 115.700 -0.012 0.000 2.605 127 S HA 0.123 4.594 4.470 0.001 0.000 0.217 127 S C 1.195 175.787 174.600 -0.012 0.000 0.958 127 S CA 0.351 58.543 58.200 -0.014 0.000 0.919 127 S CB 0.470 63.656 63.200 -0.022 0.000 0.780 127 S HN 0.397 8.707 8.310 -0.000 0.000 0.507 128 G N 0.778 109.574 108.800 -0.006 0.000 2.176 128 G HA2 -0.223 3.737 3.960 0.001 0.000 0.253 128 G HA3 -0.223 3.737 3.960 0.001 0.000 0.253 128 G C 0.177 175.073 174.900 -0.007 0.000 0.979 128 G CA 0.327 45.428 45.100 0.001 0.000 0.641 128 G HN 1.342 9.632 8.290 -0.000 0.000 0.530 129 T N -2.546 111.990 114.554 -0.031 0.000 2.916 129 T HA 0.904 5.255 4.350 0.001 0.000 0.292 129 T C -0.457 174.175 174.700 -0.114 0.000 1.055 129 T CA 0.125 62.191 62.100 -0.056 0.000 1.009 129 T CB 2.513 71.346 68.868 -0.058 0.000 1.118 129 T HN 1.844 10.084 8.240 -0.000 0.000 0.497 130 A N 1.325 124.040 122.820 -0.175 0.000 2.411 130 A HA 0.702 5.023 4.320 0.001 0.000 0.285 130 A C -0.353 177.038 177.584 -0.322 0.000 1.129 130 A CA -0.754 51.075 52.037 -0.346 0.000 0.736 130 A CB 1.278 19.876 19.000 -0.670 0.000 1.186 130 A HN 0.734 8.884 8.150 -0.000 0.000 0.445 131 S N 0.968 116.509 115.700 -0.266 0.000 2.456 131 S HA 0.522 4.993 4.470 0.001 0.000 0.316 131 S C -0.464 174.024 174.600 -0.187 0.000 1.089 131 S CA -0.490 57.585 58.200 -0.208 0.000 1.101 131 S CB 1.419 64.540 63.200 -0.132 0.000 0.995 131 S HN 1.365 9.675 8.310 -0.000 0.000 0.468 132 V N 5.977 125.778 119.914 -0.189 0.000 2.357 132 V HA 0.744 4.864 4.120 0.001 0.000 0.284 132 V C -0.300 175.865 176.094 0.118 0.000 1.018 132 V CA -0.519 61.770 62.300 -0.018 0.000 0.841 132 V CB 1.219 33.060 31.823 0.029 0.000 0.991 132 V HN 0.652 8.842 8.190 -0.000 0.000 0.437 133 V N 7.490 127.586 119.914 0.303 0.000 2.435 133 V HA 0.658 4.779 4.120 0.001 0.000 0.290 133 V C -0.204 176.240 176.094 0.583 0.000 1.030 133 V CA -0.346 62.205 62.300 0.419 0.000 0.881 133 V CB 1.228 33.211 31.823 0.267 0.000 0.983 133 V HN 1.163 9.353 8.190 -0.000 0.000 0.445 134 c N 7.791 126.732 118.600 0.570 0.000 2.303 134 c HA 0.763 5.334 4.570 0.001 0.000 0.326 134 c C -0.421 173.833 174.090 0.273 0.000 1.285 134 c CA -0.729 55.788 56.329 0.312 0.000 1.675 134 c CB 0.295 42.792 42.510 -0.022 0.000 2.289 134 c HN 1.063 9.293 8.230 -0.000 0.000 0.512 135 L N 7.114 128.511 121.223 0.291 0.000 2.287 135 L HA 0.689 5.030 4.340 0.001 0.000 0.287 135 L C -1.059 175.963 176.870 0.255 0.000 1.022 135 L CA -0.075 54.964 54.840 0.332 0.000 0.814 135 L CB 1.091 43.444 42.059 0.492 0.000 1.217 135 L HN 0.604 8.834 8.230 -0.000 0.000 0.420 136 L N 5.408 126.755 121.223 0.206 0.000 2.262 136 L HA 0.483 4.823 4.340 0.001 0.000 0.288 136 L C -0.244 176.844 176.870 0.364 0.000 1.035 136 L CA 0.048 54.983 54.840 0.157 0.000 0.820 136 L CB 0.838 42.853 42.059 -0.073 0.000 1.204 136 L HN 0.611 8.841 8.230 -0.000 0.000 0.424 137 N N 3.536 122.440 118.700 0.339 0.000 2.408 137 N HA 0.335 5.076 4.740 0.001 0.000 0.280 137 N C -0.785 174.898 175.510 0.288 0.000 1.002 137 N CA -0.263 52.984 53.050 0.328 0.000 0.907 137 N CB 0.650 39.360 38.487 0.371 0.000 1.161 137 N HN 0.395 8.775 8.380 -0.000 0.000 0.488 138 N N 2.021 120.831 118.700 0.182 0.000 2.610 138 N HA -0.219 4.521 4.740 0.001 0.000 0.271 138 N C -1.349 174.240 175.510 0.132 0.000 1.146 138 N CA 0.869 53.962 53.050 0.071 0.000 0.711 138 N CB -1.524 37.006 38.487 0.072 0.000 0.883 138 N HN 0.488 8.868 8.380 -0.000 0.000 0.548 139 F N -1.105 118.882 119.950 0.061 0.000 2.593 139 F HA 0.840 5.368 4.527 0.001 0.000 0.320 139 F C -0.606 175.343 175.800 0.247 0.000 1.060 139 F CA -1.341 56.668 58.000 0.015 0.000 0.940 139 F CB 1.478 40.311 39.000 -0.280 0.000 1.268 139 F HN 0.055 8.355 8.300 -0.000 0.000 0.475 140 Y N 2.445 122.947 120.300 0.336 0.000 2.482 140 Y HA 0.539 5.089 4.550 0.001 0.000 0.334 140 Y C -2.871 173.330 175.900 0.501 0.000 1.091 140 Y CA -2.238 56.095 58.100 0.388 0.000 1.027 140 Y CB 2.581 41.164 38.460 0.204 0.000 1.306 140 Y HN 0.498 8.778 8.280 -0.000 0.000 0.446 141 P HA 0.145 4.565 4.420 -0.000 0.000 0.302 141 P C -0.039 177.205 177.300 -0.094 0.000 1.301 141 P CA 0.095 62.789 63.100 -0.676 0.000 0.745 141 P CB 1.075 32.465 31.700 -0.517 0.000 1.331 142 R N 0.166 120.404 120.500 -0.437 0.000 2.115 142 R HA -0.066 4.275 4.340 0.001 0.000 0.226 142 R C 0.645 176.931 176.300 -0.023 0.000 1.100 142 R CA 1.037 56.836 56.100 -0.501 0.000 0.980 142 R CB -0.897 28.829 30.300 -0.957 0.000 0.875 142 R HN 0.370 8.640 8.270 -0.000 0.000 0.445 143 E N 1.450 121.613 120.200 -0.062 0.000 2.271 143 E HA 0.201 4.552 4.350 0.001 0.000 0.255 143 E C -0.816 175.796 176.600 0.020 0.000 1.177 143 E CA 0.472 56.849 56.400 -0.038 0.000 0.946 143 E CB 0.322 29.970 29.700 -0.086 0.000 1.009 143 E HN 0.385 8.745 8.360 -0.000 0.000 0.451 144 A N 3.647 126.469 122.820 0.004 0.000 2.435 144 A HA 0.564 4.885 4.320 0.001 0.000 0.304 144 A C -0.634 176.902 177.584 -0.080 0.000 1.064 144 A CA -0.967 51.039 52.037 -0.052 0.000 0.727 144 A CB 1.664 20.472 19.000 -0.321 0.000 1.284 144 A HN 0.444 8.594 8.150 -0.000 0.000 0.415 145 K N 1.941 122.288 120.400 -0.089 0.000 2.394 145 K HA 0.616 4.937 4.320 0.001 0.000 0.260 145 K C -1.528 175.006 176.600 -0.110 0.000 0.967 145 K CA -0.370 55.870 56.287 -0.078 0.000 0.855 145 K CB 1.393 33.855 32.500 -0.063 0.000 1.101 145 K HN 0.463 8.713 8.250 -0.000 0.000 0.433 146 V N 4.181 124.034 119.914 -0.101 0.000 2.483 146 V HA 0.347 4.468 4.120 0.001 0.000 0.295 146 V C -0.413 175.599 176.094 -0.137 0.000 1.035 146 V CA -0.718 61.486 62.300 -0.161 0.000 0.896 146 V CB 1.537 33.265 31.823 -0.159 0.000 0.986 146 V HN 0.781 8.971 8.190 -0.000 0.000 0.447 147 Q N 2.694 122.366 119.800 -0.213 0.000 2.304 147 Q HA 0.367 4.708 4.340 0.001 0.000 0.270 147 Q C -1.721 174.162 176.000 -0.196 0.000 1.035 147 Q CA -0.448 55.282 55.803 -0.121 0.000 0.781 147 Q CB 2.790 31.488 28.738 -0.067 0.000 1.261 147 Q HN 0.757 9.027 8.270 -0.000 0.000 0.444 148 W N 2.905 124.208 121.300 0.004 0.000 2.361 148 W HA 0.355 5.015 4.660 0.001 0.000 0.309 148 W C 0.219 176.731 176.519 -0.012 0.000 1.122 148 W CA -0.378 56.974 57.345 0.013 0.000 1.208 148 W CB 1.050 30.532 29.460 0.037 0.000 1.246 148 W HN 0.118 8.298 8.180 -0.000 0.000 0.490 149 K N 2.923 123.447 120.400 0.205 0.000 2.270 149 K HA 0.610 4.931 4.320 0.001 0.000 0.255 149 K C -1.161 175.465 176.600 0.043 0.000 0.936 149 K CA -1.143 55.193 56.287 0.082 0.000 0.809 149 K CB 2.577 35.080 32.500 0.004 0.000 1.131 149 K HN 0.334 8.584 8.250 -0.000 0.000 0.427 150 V N 1.521 121.389 119.914 -0.077 0.000 2.531 150 V HA 0.265 4.385 4.120 0.001 0.000 0.301 150 V C -0.759 175.186 176.094 -0.249 0.000 1.034 150 V CA -0.409 61.716 62.300 -0.291 0.000 0.865 150 V CB 1.296 32.869 31.823 -0.417 0.000 0.995 150 V HN 0.853 9.043 8.190 -0.000 0.000 0.424 151 D N 4.495 124.741 120.400 -0.257 0.000 2.737 151 D HA -0.224 4.416 4.640 0.001 0.000 0.233 151 D C 0.948 177.198 176.300 -0.083 0.000 1.155 151 D CA 1.719 55.642 54.000 -0.129 0.000 0.667 151 D CB -1.104 39.678 40.800 -0.030 0.000 1.060 151 D HN 1.205 9.575 8.370 -0.000 0.000 0.427 152 N N -2.370 116.276 118.700 -0.089 0.000 2.936 152 N HA -0.251 4.489 4.740 0.001 0.000 0.236 152 N C -0.219 175.266 175.510 -0.041 0.000 0.930 152 N CA 1.533 54.549 53.050 -0.056 0.000 0.966 152 N CB -1.035 37.425 38.487 -0.045 0.000 1.090 152 N HN 0.581 8.961 8.380 -0.000 0.000 0.592 153 A N 0.899 123.691 122.820 -0.046 0.000 2.320 153 A HA 0.482 4.802 4.320 0.001 0.000 0.287 153 A C 0.489 178.062 177.584 -0.018 0.000 1.181 153 A CA -0.477 51.542 52.037 -0.031 0.000 0.831 153 A CB 0.492 19.472 19.000 -0.033 0.000 1.102 153 A HN 0.351 8.501 8.150 -0.000 0.000 0.513 154 L N 2.162 123.383 121.223 -0.002 0.000 2.483 154 L HA 0.120 4.461 4.340 0.001 0.000 0.276 154 L C -0.306 176.582 176.870 0.029 0.000 1.213 154 L CA 0.630 55.481 54.840 0.019 0.000 0.843 154 L CB 0.691 42.758 42.059 0.013 0.000 1.107 154 L HN 0.693 8.923 8.230 -0.000 0.000 0.487 155 Q N 2.748 122.588 119.800 0.067 0.000 2.274 155 Q HA 0.380 4.720 4.340 0.001 0.000 0.260 155 Q C -0.939 175.101 176.000 0.067 0.000 0.974 155 Q CA -0.426 55.417 55.803 0.068 0.000 0.876 155 Q CB 1.935 30.742 28.738 0.115 0.000 1.297 155 Q HN 0.565 8.835 8.270 -0.000 0.000 0.446 156 S N 0.339 116.065 115.700 0.042 0.000 2.667 156 S HA 0.490 4.961 4.470 0.001 0.000 0.304 156 S C 0.286 174.906 174.600 0.033 0.000 1.135 156 S CA -0.184 58.039 58.200 0.039 0.000 1.125 156 S CB 1.008 64.223 63.200 0.025 0.000 0.996 156 S HN 0.864 9.174 8.310 -0.000 0.000 0.474 157 G N 3.226 112.053 108.800 0.045 0.000 2.314 157 G HA2 -0.244 3.716 3.960 0.001 0.000 0.292 157 G HA3 -0.244 3.716 3.960 0.001 0.000 0.292 157 G C 0.327 175.236 174.900 0.014 0.000 1.059 157 G CA 0.078 45.199 45.100 0.034 0.000 0.982 157 G HN 0.611 8.901 8.290 -0.000 0.000 0.505 158 N N -0.227 118.475 118.700 0.003 0.000 2.187 158 N HA 0.204 4.945 4.740 0.001 0.000 0.212 158 N C 0.531 175.982 175.510 -0.100 0.000 1.152 158 N CA 0.719 53.742 53.050 -0.046 0.000 0.872 158 N CB 0.561 39.012 38.487 -0.060 0.000 1.025 158 N HN 0.846 9.226 8.380 -0.000 0.000 0.514 159 S N -0.026 115.646 115.700 -0.048 0.000 2.571 159 S HA 0.402 4.873 4.470 0.001 0.000 0.284 159 S C -0.695 173.930 174.600 0.043 0.000 1.128 159 S CA -0.876 57.292 58.200 -0.054 0.000 0.970 159 S CB 2.100 65.269 63.200 -0.051 0.000 1.039 159 S HN 0.180 8.490 8.310 -0.000 0.000 0.485 160 Q N 2.211 122.032 119.800 0.035 0.000 2.222 160 Q HA 0.531 4.871 4.340 0.001 0.000 0.252 160 Q C -0.786 175.274 176.000 0.099 0.000 0.926 160 Q CA -0.503 55.335 55.803 0.059 0.000 0.899 160 Q CB 1.639 30.397 28.738 0.034 0.000 1.250 160 Q HN 0.898 9.168 8.270 -0.000 0.000 0.441 161 E N 1.368 121.628 120.200 0.100 0.000 2.266 161 E HA 0.501 4.852 4.350 0.001 0.000 0.268 161 E C -1.733 174.926 176.600 0.099 0.000 0.879 161 E CA -0.674 55.798 56.400 0.119 0.000 0.762 161 E CB 2.268 32.042 29.700 0.123 0.000 1.199 161 E HN 0.597 8.957 8.360 -0.000 0.000 0.422 162 S N 2.884 118.651 115.700 0.111 0.000 2.541 162 S HA 0.549 5.020 4.470 0.001 0.000 0.280 162 S C -1.812 172.862 174.600 0.123 0.000 1.112 162 S CA -0.628 57.633 58.200 0.101 0.000 0.925 162 S CB 1.802 65.053 63.200 0.085 0.000 1.067 162 S HN 0.444 8.754 8.310 -0.000 0.000 0.479 163 V N 4.148 124.133 119.914 0.118 0.000 2.876 163 V HA 0.813 4.933 4.120 0.001 0.000 0.312 163 V C 0.314 176.485 176.094 0.128 0.000 1.085 163 V CA -0.087 62.298 62.300 0.142 0.000 0.945 163 V CB 2.093 34.001 31.823 0.141 0.000 1.017 163 V HN 1.152 9.342 8.190 -0.000 0.000 0.428 164 T N 2.743 117.373 114.554 0.127 0.000 2.770 164 T HA 0.486 4.837 4.350 0.001 0.000 0.281 164 T C -0.004 174.769 174.700 0.121 0.000 0.981 164 T CA -0.538 61.619 62.100 0.096 0.000 0.955 164 T CB 0.783 69.677 68.868 0.043 0.000 1.060 164 T HN 0.719 8.959 8.240 -0.000 0.000 0.531 165 E N 0.911 121.155 120.200 0.073 0.000 2.349 165 E HA 0.137 4.488 4.350 0.001 0.000 0.265 165 E C 0.212 176.641 176.600 -0.286 0.000 1.064 165 E CA -0.404 56.024 56.400 0.047 0.000 0.886 165 E CB 0.624 30.456 29.700 0.220 0.000 1.036 165 E HN 0.611 8.971 8.360 -0.000 0.000 0.413 166 Q N 1.196 120.557 119.800 -0.731 0.000 2.304 166 Q HA -0.109 4.232 4.340 0.001 0.000 0.315 166 Q C -0.338 175.219 176.000 -0.739 0.000 1.075 166 Q CA 0.712 55.874 55.803 -1.068 0.000 0.988 166 Q CB 0.178 28.085 28.738 -1.385 0.000 1.146 166 Q HN 0.364 8.634 8.270 -0.000 0.000 0.383 167 D N 0.454 120.556 120.400 -0.497 0.000 2.424 167 D HA -0.032 4.609 4.640 0.001 0.000 0.244 167 D C 0.923 177.096 176.300 -0.212 0.000 1.134 167 D CA 0.279 54.117 54.000 -0.270 0.000 0.881 167 D CB 0.820 41.501 40.800 -0.197 0.000 1.191 167 D HN 0.489 8.859 8.370 -0.000 0.000 0.445 168 S N 2.845 118.493 115.700 -0.086 0.000 2.507 168 S HA -0.116 4.354 4.470 0.001 0.000 0.235 168 S C 1.220 175.812 174.600 -0.014 0.000 0.988 168 S CA 0.817 59.018 58.200 0.002 0.000 0.944 168 S CB 0.008 63.246 63.200 0.062 0.000 0.762 168 S HN 0.519 8.829 8.310 -0.000 0.000 0.526 169 K N 0.534 120.905 120.400 -0.049 0.000 2.367 169 K HA 0.109 4.430 4.320 0.001 0.000 0.198 169 K C 0.561 177.122 176.600 -0.065 0.000 1.132 169 K CA 0.856 57.120 56.287 -0.040 0.000 0.941 169 K CB 0.309 32.793 32.500 -0.027 0.000 1.052 169 K HN 0.499 8.749 8.250 -0.000 0.000 0.507 170 D N -0.919 119.423 120.400 -0.097 0.000 2.469 170 D HA 0.079 4.719 4.640 0.001 0.000 0.215 170 D C -0.376 175.821 176.300 -0.173 0.000 1.154 170 D CA -0.140 53.794 54.000 -0.112 0.000 0.832 170 D CB 0.591 41.340 40.800 -0.085 0.000 1.008 170 D HN -0.152 8.218 8.370 -0.000 0.000 0.506 171 S N -0.940 114.627 115.700 -0.221 0.000 3.581 171 S HA -0.174 4.297 4.470 0.001 0.000 0.354 171 S C 0.247 174.624 174.600 -0.370 0.000 1.059 171 S CA 1.039 59.050 58.200 -0.315 0.000 1.060 171 S CB -2.159 60.881 63.200 -0.267 0.000 0.908 171 S HN 0.585 8.895 8.310 -0.000 0.000 0.475 172 T N 0.087 114.417 114.554 -0.374 0.000 2.940 172 T HA 0.685 5.035 4.350 0.001 0.000 0.288 172 T C -0.389 173.972 174.700 -0.565 0.000 1.033 172 T CA -0.367 61.528 62.100 -0.341 0.000 1.033 172 T CB 0.627 69.392 68.868 -0.170 0.000 1.079 172 T HN 0.215 8.455 8.240 -0.000 0.000 0.496 173 Y N 0.244 120.279 120.300 -0.440 0.000 2.534 173 Y HA 0.663 5.214 4.550 0.001 0.000 0.329 173 Y C 0.603 176.075 175.900 -0.712 0.000 1.154 173 Y CA -0.742 56.975 58.100 -0.639 0.000 1.192 173 Y CB 1.828 39.744 38.460 -0.907 0.000 1.275 173 Y HN 0.466 8.746 8.280 -0.000 0.000 0.491 174 S N 1.602 117.196 115.700 -0.175 0.000 2.546 174 S HA 0.690 5.161 4.470 0.001 0.000 0.272 174 S C -1.868 172.891 174.600 0.265 0.000 1.140 174 S CA -0.731 57.541 58.200 0.120 0.000 0.920 174 S CB 1.597 64.864 63.200 0.111 0.000 1.083 174 S HN 0.536 8.846 8.310 -0.000 0.000 0.476 175 L N 0.643 122.125 121.223 0.432 0.000 2.409 175 L HA 0.992 5.333 4.340 0.001 0.000 0.262 175 L C -0.505 176.503 176.870 0.231 0.000 0.992 175 L CA -0.620 54.398 54.840 0.296 0.000 0.817 175 L CB 1.888 44.135 42.059 0.313 0.000 1.350 175 L HN 0.577 8.807 8.230 -0.000 0.000 0.411 176 S N 0.910 116.723 115.700 0.189 0.000 2.456 176 S HA 0.710 5.181 4.470 0.001 0.000 0.316 176 S C -0.278 174.443 174.600 0.201 0.000 1.089 176 S CA -0.387 57.929 58.200 0.193 0.000 1.101 176 S CB 1.169 64.465 63.200 0.159 0.000 0.995 176 S HN 0.944 9.254 8.310 -0.000 0.000 0.468 177 S N 2.950 118.806 115.700 0.260 0.000 2.422 177 S HA 0.535 5.006 4.470 0.001 0.000 0.308 177 S C -0.520 174.356 174.600 0.460 0.000 1.097 177 S CA -0.433 57.981 58.200 0.356 0.000 1.099 177 S CB 0.218 63.657 63.200 0.398 0.000 0.976 177 S HN 0.793 9.103 8.310 -0.000 0.000 0.471 178 T N 6.037 120.742 114.554 0.252 0.000 2.770 178 T HA 0.352 4.702 4.350 0.001 0.000 0.297 178 T C -0.532 174.087 174.700 -0.137 0.000 0.997 178 T CA -0.387 61.767 62.100 0.090 0.000 0.949 178 T CB 0.720 69.613 68.868 0.041 0.000 0.941 178 T HN 0.550 8.790 8.240 -0.000 0.000 0.457 179 L N 4.349 125.283 121.223 -0.482 0.000 2.261 179 L HA 0.541 4.882 4.340 0.001 0.000 0.289 179 L C 0.235 176.867 176.870 -0.396 0.000 1.059 179 L CA 0.182 54.598 54.840 -0.707 0.000 0.816 179 L CB 0.980 42.150 42.059 -1.481 0.000 1.191 179 L HN 0.555 8.785 8.230 -0.000 0.000 0.431 180 T N 6.184 120.589 114.554 -0.248 0.000 2.779 180 T HA 0.681 5.032 4.350 0.001 0.000 0.280 180 T C -0.416 174.211 174.700 -0.122 0.000 0.987 180 T CA -0.412 61.587 62.100 -0.168 0.000 0.966 180 T CB 0.239 69.040 68.868 -0.112 0.000 0.933 180 T HN 0.540 8.780 8.240 -0.000 0.000 0.442 181 L N 2.864 124.023 121.223 -0.107 0.000 2.230 181 L HA 0.698 5.039 4.340 0.001 0.000 0.255 181 L C 0.371 177.229 176.870 -0.021 0.000 1.039 181 L CA -1.383 53.438 54.840 -0.032 0.000 0.846 181 L CB 2.079 44.164 42.059 0.043 0.000 1.419 181 L HN 0.673 8.903 8.230 -0.000 0.000 0.435 182 S N -1.203 114.514 115.700 0.029 0.000 2.616 182 S HA 0.214 4.685 4.470 0.001 0.000 0.277 182 S C 0.666 175.316 174.600 0.084 0.000 1.234 182 S CA -0.639 57.581 58.200 0.035 0.000 1.028 182 S CB 1.597 64.823 63.200 0.043 0.000 0.988 182 S HN 0.718 9.028 8.310 -0.000 0.000 0.522 183 K N 1.171 121.613 120.400 0.070 0.000 2.160 183 K HA -0.203 4.117 4.320 0.001 0.000 0.206 183 K C 1.983 178.687 176.600 0.173 0.000 1.047 183 K CA 1.480 57.849 56.287 0.136 0.000 0.930 183 K CB -0.837 31.715 32.500 0.088 0.000 0.720 183 K HN 0.767 9.017 8.250 -0.000 0.000 0.450 184 A N 1.541 124.430 122.820 0.115 0.000 1.828 184 A HA -0.231 4.090 4.320 0.001 0.000 0.215 184 A C 1.943 179.604 177.584 0.128 0.000 1.203 184 A CA 2.108 54.203 52.037 0.098 0.000 0.614 184 A CB -1.060 17.980 19.000 0.067 0.000 0.844 184 A HN 0.518 8.668 8.150 -0.000 0.000 0.445 185 D N -2.293 118.197 120.400 0.150 0.000 2.218 185 D HA -0.172 4.468 4.640 0.001 0.000 0.204 185 D C 1.654 178.145 176.300 0.318 0.000 0.976 185 D CA 1.292 55.414 54.000 0.203 0.000 0.853 185 D CB -0.256 40.650 40.800 0.178 0.000 0.939 185 D HN 0.501 8.871 8.370 -0.000 0.000 0.481 186 Y N 1.440 121.837 120.300 0.162 0.000 2.181 186 Y HA -0.119 4.432 4.550 0.001 0.000 0.288 186 Y C 1.915 177.961 175.900 0.243 0.000 1.146 186 Y CA 1.500 59.723 58.100 0.204 0.000 1.164 186 Y CB -0.104 38.397 38.460 0.068 0.000 0.982 186 Y HN -0.057 8.223 8.280 -0.000 0.000 0.515 187 E N 0.537 120.770 120.200 0.055 0.000 2.153 187 E HA -0.186 4.165 4.350 0.001 0.000 0.194 187 E C 1.972 178.528 176.600 -0.073 0.000 0.988 187 E CA 1.240 57.603 56.400 -0.062 0.000 0.811 187 E CB -0.244 29.466 29.700 0.017 0.000 0.746 187 E HN 0.568 8.928 8.360 -0.000 0.000 0.466 188 K N -0.013 120.359 120.400 -0.047 0.000 2.147 188 K HA -0.061 4.260 4.320 0.001 0.000 0.205 188 K C 0.988 177.368 176.600 -0.368 0.000 1.049 188 K CA 0.862 57.021 56.287 -0.214 0.000 0.936 188 K CB -0.013 32.315 32.500 -0.287 0.000 0.722 188 K HN 0.258 8.508 8.250 -0.000 0.000 0.446 189 H N -0.647 118.385 119.070 -0.064 0.000 2.567 189 H HA 0.182 4.738 4.556 0.001 0.000 0.345 189 H C 0.687 175.896 175.328 -0.198 0.000 1.169 189 H CA -0.430 55.528 56.048 -0.150 0.000 1.227 189 H CB 2.249 31.879 29.762 -0.219 0.000 1.607 189 H HN -0.118 8.162 8.280 -0.000 0.000 0.534 190 K N 1.137 121.456 120.400 -0.135 0.000 2.214 190 K HA 0.115 4.435 4.320 0.001 0.000 0.210 190 K C -0.056 176.412 176.600 -0.219 0.000 1.036 190 K CA 0.447 56.663 56.287 -0.120 0.000 0.958 190 K CB 0.432 32.885 32.500 -0.079 0.000 0.973 190 K HN 0.270 8.520 8.250 -0.000 0.000 0.466 191 V N 2.980 122.702 119.914 -0.319 0.000 2.406 191 V HA 0.214 4.334 4.120 0.001 0.000 0.272 191 V C -0.915 174.855 176.094 -0.540 0.000 1.043 191 V CA -0.511 61.599 62.300 -0.317 0.000 0.915 191 V CB 0.202 31.915 31.823 -0.183 0.000 0.988 191 V HN 0.140 8.330 8.190 -0.000 0.000 0.466 192 Y N 2.907 122.949 120.300 -0.429 0.000 2.341 192 Y HA 0.765 5.316 4.550 0.001 0.000 0.338 192 Y C 0.317 176.071 175.900 -0.243 0.000 0.965 192 Y CA -0.459 57.428 58.100 -0.355 0.000 1.108 192 Y CB 2.087 40.224 38.460 -0.538 0.000 1.180 192 Y HN 0.782 9.062 8.280 -0.000 0.000 0.458 193 A N 1.866 124.767 122.820 0.134 0.000 2.520 193 A HA 0.723 5.043 4.320 0.001 0.000 0.298 193 A C -1.177 176.365 177.584 -0.070 0.000 1.051 193 A CA -0.816 51.242 52.037 0.035 0.000 0.690 193 A CB 0.532 19.509 19.000 -0.037 0.000 1.281 193 A HN 0.984 9.134 8.150 -0.000 0.000 0.402 194 c N 0.786 119.176 118.600 -0.349 0.000 2.379 194 c HA 0.849 5.420 4.570 0.001 0.000 0.323 194 c C -0.331 173.521 174.090 -0.396 0.000 1.262 194 c CA -0.558 55.348 56.329 -0.705 0.000 1.581 194 c CB 0.525 42.228 42.510 -1.345 0.000 2.221 194 c HN 0.981 9.211 8.230 -0.000 0.000 0.497 195 E N 2.747 122.751 120.200 -0.326 0.000 2.113 195 E HA 0.583 4.934 4.350 0.001 0.000 0.273 195 E C -1.157 175.318 176.600 -0.209 0.000 0.924 195 E CA -0.419 55.854 56.400 -0.211 0.000 0.764 195 E CB 1.489 31.104 29.700 -0.143 0.000 1.104 195 E HN 0.738 9.098 8.360 -0.000 0.000 0.406 196 V N 4.329 124.130 119.914 -0.188 0.000 2.370 196 V HA 0.288 4.409 4.120 0.001 0.000 0.279 196 V C 0.043 176.062 176.094 -0.124 0.000 1.029 196 V CA -0.471 61.722 62.300 -0.178 0.000 0.870 196 V CB 1.706 33.404 31.823 -0.207 0.000 0.984 196 V HN 0.722 8.912 8.190 -0.000 0.000 0.451 197 T N 4.346 118.839 114.554 -0.102 0.000 2.824 197 T HA 0.626 4.977 4.350 0.001 0.000 0.280 197 T C -0.981 173.711 174.700 -0.013 0.000 0.995 197 T CA -0.274 61.790 62.100 -0.060 0.000 1.009 197 T CB 0.786 69.616 68.868 -0.063 0.000 0.955 197 T HN 0.870 9.110 8.240 -0.000 0.000 0.452 198 H N 0.600 119.602 119.070 -0.113 0.000 3.079 198 H HA 0.278 4.835 4.556 0.001 0.000 0.356 198 H C 0.760 176.057 175.328 -0.051 0.000 1.221 198 H CA -0.546 55.441 56.048 -0.103 0.000 1.185 198 H CB 1.650 31.327 29.762 -0.141 0.000 1.882 198 H HN 0.553 8.833 8.280 -0.000 0.000 0.543 199 Q N 2.339 121.773 119.800 -0.609 0.000 2.152 199 Q HA -0.107 4.234 4.340 0.001 0.000 0.206 199 Q C 1.423 177.380 176.000 -0.072 0.000 0.985 199 Q CA 2.067 57.683 55.803 -0.312 0.000 0.863 199 Q CB -0.369 28.160 28.738 -0.350 0.000 0.904 199 Q HN 0.892 9.162 8.270 -0.000 0.000 0.422 200 G N 0.144 109.032 108.800 0.146 0.000 2.679 200 G HA2 0.059 4.020 3.960 0.001 0.000 0.212 200 G HA3 0.059 4.020 3.960 0.001 0.000 0.212 200 G C 0.256 175.241 174.900 0.141 0.000 1.137 200 G CA -0.070 45.172 45.100 0.237 0.000 0.787 200 G HN 0.190 8.480 8.290 -0.000 0.000 0.534 201 L N 1.207 122.494 121.223 0.108 0.000 2.282 201 L HA 0.235 4.576 4.340 0.001 0.000 0.288 201 L C 1.708 178.586 176.870 0.013 0.000 1.033 201 L CA -0.527 54.341 54.840 0.046 0.000 0.807 201 L CB 1.989 44.067 42.059 0.031 0.000 1.209 201 L HN 0.156 8.386 8.230 -0.000 0.000 0.423 202 S N 0.591 116.294 115.700 0.005 0.000 2.423 202 S HA -0.037 4.433 4.470 0.001 0.000 0.231 202 S C 0.673 175.265 174.600 -0.013 0.000 1.014 202 S CA 0.513 58.711 58.200 -0.004 0.000 0.965 202 S CB -0.121 63.077 63.200 -0.004 0.000 0.785 202 S HN 0.735 9.045 8.310 -0.000 0.000 0.495 203 S N -0.011 115.679 115.700 -0.017 0.000 2.547 203 S HA 0.601 5.071 4.470 0.001 0.000 0.270 203 S C -3.586 170.993 174.600 -0.034 0.000 1.150 203 S CA -1.509 56.675 58.200 -0.026 0.000 0.850 203 S CB 0.760 63.944 63.200 -0.026 0.000 1.118 203 S HN 0.005 8.315 8.310 -0.000 0.000 0.461 204 P HA 0.176 4.596 4.420 -0.000 0.000 0.260 204 P C -0.427 176.833 177.300 -0.066 0.000 1.185 204 P CA -0.144 62.922 63.100 -0.057 0.000 0.763 204 P CB 0.408 32.072 31.700 -0.060 0.000 0.776 205 V N 3.965 123.831 119.914 -0.081 0.000 2.509 205 V HA 0.575 4.695 4.120 0.001 0.000 0.284 205 V C -0.203 175.821 176.094 -0.117 0.000 1.047 205 V CA 0.050 62.294 62.300 -0.094 0.000 0.952 205 V CB 1.435 33.195 31.823 -0.104 0.000 0.988 205 V HN 0.644 8.834 8.190 -0.000 0.000 0.469 206 T N 6.227 120.716 114.554 -0.108 0.000 2.841 206 T HA 0.551 4.901 4.350 0.001 0.000 0.285 206 T C -0.888 173.749 174.700 -0.104 0.000 0.991 206 T CA -0.821 61.207 62.100 -0.120 0.000 0.966 206 T CB 1.264 70.071 68.868 -0.102 0.000 0.962 206 T HN 0.699 8.939 8.240 -0.000 0.000 0.438 207 K N 3.405 123.735 120.400 -0.116 0.000 2.235 207 K HA 0.633 4.954 4.320 0.001 0.000 0.266 207 K C -0.401 176.193 176.600 -0.009 0.000 0.980 207 K CA -0.579 55.667 56.287 -0.068 0.000 0.849 207 K CB 1.701 34.148 32.500 -0.088 0.000 1.098 207 K HN 0.881 9.131 8.250 -0.000 0.000 0.445 208 S N 1.728 117.454 115.700 0.042 0.000 2.569 208 S HA 0.826 5.297 4.470 0.001 0.000 0.280 208 S C -0.653 174.058 174.600 0.184 0.000 1.111 208 S CA -0.976 57.266 58.200 0.069 0.000 0.887 208 S CB 1.187 64.384 63.200 -0.006 0.000 1.095 208 S HN 0.471 8.781 8.310 -0.000 0.000 0.476 209 F N -0.649 119.382 119.950 0.134 0.000 2.613 209 F HA 0.818 5.346 4.527 0.001 0.000 0.314 209 F C -1.301 174.601 175.800 0.171 0.000 1.075 209 F CA -1.084 56.997 58.000 0.134 0.000 0.945 209 F CB 1.025 40.111 39.000 0.143 0.000 1.310 209 F HN 0.451 8.751 8.300 -0.000 0.000 0.467 210 N N 1.721 120.612 118.700 0.318 0.000 2.421 210 N HA 0.327 5.068 4.740 0.001 0.000 0.285 210 N C -0.925 174.827 175.510 0.402 0.000 1.027 210 N CA -0.746 52.434 53.050 0.215 0.000 0.918 210 N CB 1.500 40.062 38.487 0.124 0.000 1.152 210 N HN 0.671 9.051 8.380 -0.000 0.000 0.485 211 R N 1.205 121.913 120.500 0.346 0.000 2.585 211 R HA 0.191 4.531 4.340 0.001 0.000 0.275 211 R C 0.480 176.918 176.300 0.231 0.000 1.018 211 R CA 0.794 57.124 56.100 0.383 0.000 1.072 211 R CB -0.099 30.313 30.300 0.186 0.000 0.953 211 R HN 0.829 9.099 8.270 -0.000 0.000 0.419 212 G N 3.542 112.476 108.800 0.224 0.000 2.314 212 G HA2 -0.283 3.678 3.960 0.001 0.000 0.292 212 G HA3 -0.283 3.678 3.960 0.001 0.000 0.292 212 G C -0.532 174.435 174.900 0.112 0.000 1.059 212 G CA 0.414 45.597 45.100 0.138 0.000 0.982 212 G HN 0.700 8.990 8.290 -0.000 0.000 0.505 213 E N -0.723 119.553 120.200 0.126 0.000 2.235 213 E HA 0.516 4.866 4.350 0.001 0.000 0.252 213 E C 1.295 177.941 176.600 0.077 0.000 0.886 213 E CA -0.313 56.145 56.400 0.098 0.000 0.767 213 E CB 0.668 30.436 29.700 0.114 0.000 1.205 213 E HN 0.639 8.999 8.360 -0.000 0.000 0.421 214 C N 0.000 119.333 119.300 0.056 0.000 2.653 214 C HA 0.000 4.461 4.460 0.001 0.000 0.325 214 C CA 0.000 59.043 59.018 0.042 0.000 1.963 214 C CB 0.000 27.760 27.740 0.034 0.000 2.134 214 C HN 0.000 8.230 8.230 -0.000 0.000 0.568