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 2pmt_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLYYTPGSC SLSPHIVLRE TGLDFSIERI DLRTKKTESG KDFLAINPKG DATA SEQUENCE QVPVLQLDNG DILTEGVAIV QYLADLKPDR NLIAPPKALE RYHQIEWLNF DATA SEQUENCE LASEVHKGYS PLFSSDTPES YLPVVKNKLK SKFVYINDVL SKQKCVCGDH DATA SEQUENCE FTVADAYLFT LSQWAPHVAL DLTDLSHLQD YLARIAQRPN VHSALVTEGL DATA SEQUENCE I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.357 176.300 0.094 0.000 1.140 1 M CA 0.000 55.364 55.300 0.107 0.000 0.988 1 M CB 0.000 32.693 32.600 0.155 0.000 1.302 2 K N 3.556 123.975 120.400 0.032 0.000 2.221 2 K HA 0.730 5.049 4.320 -0.001 0.000 0.258 2 K C -1.900 174.641 176.600 -0.098 0.000 0.944 2 K CA -0.757 55.490 56.287 -0.067 0.000 0.823 2 K CB 1.781 34.162 32.500 -0.199 0.000 1.113 2 K HN 0.683 8.933 8.250 -0.000 0.000 0.431 3 L N 4.785 125.950 121.223 -0.096 0.000 2.305 3 L HA 0.372 4.712 4.340 -0.001 0.000 0.284 3 L C -1.674 175.154 176.870 -0.071 0.000 1.013 3 L CA -0.372 54.444 54.840 -0.041 0.000 0.819 3 L CB 0.679 42.728 42.059 -0.016 0.000 1.227 3 L HN 0.528 8.758 8.230 -0.000 0.000 0.417 4 Y N 6.205 126.596 120.300 0.151 0.000 2.404 4 Y HA 0.433 4.983 4.550 -0.001 0.000 0.344 4 Y C -0.254 175.723 175.900 0.128 0.000 0.995 4 Y CA 0.192 58.362 58.100 0.117 0.000 1.201 4 Y CB 0.408 38.941 38.460 0.120 0.000 1.151 4 Y HN 0.626 8.906 8.280 -0.000 0.000 0.517 5 Y N -0.519 119.792 120.300 0.018 0.000 2.669 5 Y HA 0.872 5.422 4.550 -0.001 0.000 0.335 5 Y C -1.201 174.667 175.900 -0.052 0.000 1.116 5 Y CA -1.794 56.296 58.100 -0.016 0.000 1.081 5 Y CB 1.384 39.816 38.460 -0.047 0.000 1.297 5 Y HN 0.317 8.597 8.280 -0.000 0.000 0.484 6 T N 3.174 117.580 114.554 -0.247 0.000 2.928 6 T HA 0.412 4.762 4.350 -0.001 0.000 0.296 6 T C -3.090 171.592 174.700 -0.029 0.000 1.000 6 T CA -1.466 60.440 62.100 -0.324 0.000 0.989 6 T CB 1.651 70.398 68.868 -0.201 0.000 1.005 6 T HN 0.435 8.675 8.240 -0.000 0.000 0.442 7 P HA 0.153 4.573 4.420 -0.000 0.000 0.260 7 P C 1.097 178.459 177.300 0.104 0.000 1.172 7 P CA 1.106 64.307 63.100 0.169 0.000 0.760 7 P CB 0.103 31.866 31.700 0.105 0.000 0.773 8 G N 1.815 110.719 108.800 0.173 0.000 2.189 8 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.267 8 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.267 8 G C 0.738 175.762 174.900 0.208 0.000 0.975 8 G CA 0.453 45.648 45.100 0.158 0.000 0.644 8 G HN 0.681 8.971 8.290 -0.000 0.000 0.537 9 S N -1.125 114.673 115.700 0.163 0.000 2.625 9 S HA 0.338 4.807 4.470 -0.001 0.000 0.262 9 S C 2.328 177.148 174.600 0.366 0.000 1.223 9 S CA 0.441 58.741 58.200 0.167 0.000 0.993 9 S CB 0.180 63.407 63.200 0.045 0.000 1.051 9 S HN 1.176 9.486 8.310 -0.000 0.000 0.562 10 C N 1.100 120.643 119.300 0.406 0.000 2.466 10 C HA 0.113 4.573 4.460 -0.001 0.000 0.283 10 C C 2.274 177.406 174.990 0.238 0.000 1.472 10 C CA 0.253 59.480 59.018 0.349 0.000 1.765 10 C CB -2.229 25.717 27.740 0.343 0.000 1.724 10 C HN 0.729 8.959 8.230 -0.000 0.000 0.560 11 S N 0.787 116.623 115.700 0.228 0.000 2.607 11 S HA 0.009 4.478 4.470 -0.001 0.000 0.224 11 S C 1.420 176.147 174.600 0.213 0.000 0.969 11 S CA 0.573 58.895 58.200 0.204 0.000 0.927 11 S CB -0.555 62.783 63.200 0.230 0.000 0.772 11 S HN 0.572 8.882 8.310 -0.000 0.000 0.533 12 L N 1.941 123.306 121.223 0.236 0.000 2.217 12 L HA 0.117 4.456 4.340 -0.001 0.000 0.211 12 L C 2.430 179.416 176.870 0.194 0.000 1.107 12 L CA 1.493 56.480 54.840 0.245 0.000 0.783 12 L CB -1.030 41.173 42.059 0.240 0.000 0.919 12 L HN 0.400 8.630 8.230 -0.000 0.000 0.442 13 S N 0.045 115.842 115.700 0.162 0.000 2.343 13 S HA -0.044 4.426 4.470 -0.001 0.000 0.219 13 S C -0.352 174.287 174.600 0.065 0.000 1.033 13 S CA 1.675 59.946 58.200 0.117 0.000 1.014 13 S CB -1.122 62.109 63.200 0.051 0.000 0.915 13 S HN 0.388 8.698 8.310 -0.000 0.000 0.435 14 P HA -0.026 4.394 4.420 -0.000 0.000 0.223 14 P C 1.104 178.408 177.300 0.006 0.000 1.151 14 P CA 1.070 64.175 63.100 0.010 0.000 0.787 14 P CB -0.260 31.448 31.700 0.014 0.000 0.788 15 H N -0.376 118.645 119.070 -0.081 0.000 2.326 15 H HA -0.029 4.527 4.556 -0.001 0.000 0.301 15 H C 1.910 177.150 175.328 -0.147 0.000 1.081 15 H CA 0.897 56.855 56.048 -0.150 0.000 1.334 15 H CB -0.211 29.500 29.762 -0.084 0.000 1.385 15 H HN -0.016 8.264 8.280 -0.000 0.000 0.504 16 I N 0.202 120.763 120.570 -0.015 0.000 2.179 16 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 16 I C 2.420 178.520 176.117 -0.028 0.000 1.088 16 I CA 0.892 62.154 61.300 -0.063 0.000 1.357 16 I CB -0.075 37.944 38.000 0.032 0.000 1.051 16 I HN 0.169 8.379 8.210 -0.000 0.000 0.409 17 V N 0.858 120.773 119.914 0.002 0.000 2.407 17 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 17 V C 2.364 178.407 176.094 -0.084 0.000 1.055 17 V CA 1.631 63.932 62.300 0.001 0.000 1.049 17 V CB -0.480 31.342 31.823 -0.002 0.000 0.662 17 V HN 0.371 8.561 8.190 -0.000 0.000 0.455 18 L N -0.572 120.526 121.223 -0.208 0.000 2.083 18 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 18 L C 2.808 179.493 176.870 -0.308 0.000 1.083 18 L CA 1.657 56.249 54.840 -0.414 0.000 0.752 18 L CB -0.458 41.004 42.059 -0.995 0.000 0.899 18 L HN 0.266 8.496 8.230 -0.000 0.000 0.433 19 R N -0.617 119.764 120.500 -0.198 0.000 2.093 19 R HA -0.079 4.260 4.340 -0.001 0.000 0.224 19 R C 1.975 178.266 176.300 -0.016 0.000 1.101 19 R CA 0.711 56.802 56.100 -0.016 0.000 0.979 19 R CB -0.203 30.092 30.300 -0.009 0.000 0.877 19 R HN 0.357 8.627 8.270 -0.000 0.000 0.441 20 E N 0.344 120.524 120.200 -0.033 0.000 2.268 20 E HA -0.101 4.249 4.350 -0.001 0.000 0.195 20 E C 1.779 178.383 176.600 0.005 0.000 0.995 20 E CA 1.634 58.027 56.400 -0.012 0.000 0.836 20 E CB 0.053 29.783 29.700 0.050 0.000 0.763 20 E HN 0.446 8.806 8.360 -0.000 0.000 0.491 21 T N -3.309 111.242 114.554 -0.004 0.000 3.065 21 T HA 0.230 4.579 4.350 -0.001 0.000 0.252 21 T C 1.517 176.223 174.700 0.010 0.000 1.099 21 T CA 0.615 62.714 62.100 -0.002 0.000 1.063 21 T CB 0.330 69.184 68.868 -0.023 0.000 0.948 21 T HN 0.181 8.421 8.240 -0.000 0.000 0.506 22 G N 1.509 110.326 108.800 0.028 0.000 2.198 22 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.260 22 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.260 22 G C -0.075 174.875 174.900 0.084 0.000 1.025 22 G CA 0.327 45.462 45.100 0.059 0.000 0.769 22 G HN 0.639 8.929 8.290 -0.000 0.000 0.507 23 L N -0.162 121.121 121.223 0.099 0.000 2.456 23 L HA 0.451 4.791 4.340 -0.001 0.000 0.257 23 L C 0.665 177.684 176.870 0.248 0.000 1.162 23 L CA -0.750 54.164 54.840 0.123 0.000 0.808 23 L CB 0.604 42.711 42.059 0.078 0.000 1.136 23 L HN 0.175 8.405 8.230 -0.000 0.000 0.466 24 D N 1.445 121.954 120.400 0.181 0.000 2.339 24 D HA 0.332 4.971 4.640 -0.001 0.000 0.241 24 D C -0.954 175.481 176.300 0.225 0.000 1.183 24 D CA -0.044 54.044 54.000 0.148 0.000 0.859 24 D CB 0.255 41.095 40.800 0.066 0.000 1.067 24 D HN 0.234 8.604 8.370 -0.000 0.000 0.484 25 F N 0.702 120.651 119.950 -0.003 0.000 2.664 25 F HA 0.731 5.257 4.527 -0.001 0.000 0.317 25 F C -1.158 174.620 175.800 -0.037 0.000 1.108 25 F CA -1.202 56.789 58.000 -0.015 0.000 0.957 25 F CB 0.853 39.847 39.000 -0.009 0.000 1.365 25 F HN 0.149 8.449 8.300 -0.000 0.000 0.475 26 S N 1.542 117.202 115.700 -0.067 0.000 2.570 26 S HA 0.887 5.357 4.470 -0.001 0.000 0.286 26 S C -0.919 173.653 174.600 -0.047 0.000 1.099 26 S CA -0.735 57.358 58.200 -0.179 0.000 0.913 26 S CB 1.845 64.974 63.200 -0.119 0.000 1.085 26 S HN 1.141 9.451 8.310 -0.000 0.000 0.480 27 I N -1.440 119.069 120.570 -0.102 0.000 2.646 27 I HA 0.840 5.010 4.170 -0.001 0.000 0.299 27 I C -0.810 175.318 176.117 0.020 0.000 1.036 27 I CA -0.788 60.466 61.300 -0.077 0.000 1.074 27 I CB 2.048 39.861 38.000 -0.311 0.000 1.258 27 I HN 0.862 9.072 8.210 -0.000 0.000 0.430 28 E N 4.509 124.764 120.200 0.092 0.000 2.265 28 E HA 0.340 4.689 4.350 -0.001 0.000 0.262 28 E C -1.040 175.608 176.600 0.079 0.000 0.889 28 E CA -0.795 55.650 56.400 0.074 0.000 0.789 28 E CB 1.789 31.445 29.700 -0.074 0.000 1.221 28 E HN 0.678 9.038 8.360 -0.000 0.000 0.414 29 R N 4.854 125.309 120.500 -0.075 0.000 2.537 29 R HA 0.168 4.507 4.340 -0.001 0.000 0.280 29 R C -0.398 175.710 176.300 -0.319 0.000 1.058 29 R CA -0.005 55.792 56.100 -0.503 0.000 1.057 29 R CB 0.434 30.501 30.300 -0.387 0.000 0.973 29 R HN 0.499 8.769 8.270 -0.000 0.000 0.438 30 I N 3.088 123.401 120.570 -0.428 0.000 2.493 30 I HA 0.138 4.307 4.170 -0.001 0.000 0.298 30 I C -0.305 175.611 176.117 -0.333 0.000 0.998 30 I CA -0.680 60.372 61.300 -0.413 0.000 1.137 30 I CB 1.690 39.268 38.000 -0.704 0.000 1.310 30 I HN 0.611 8.821 8.210 -0.000 0.000 0.445 31 D N 5.676 125.927 120.400 -0.249 0.000 2.412 31 D HA 0.164 4.804 4.640 -0.001 0.000 0.224 31 D C 0.730 176.944 176.300 -0.143 0.000 1.093 31 D CA -0.437 53.461 54.000 -0.169 0.000 0.850 31 D CB 1.151 41.885 40.800 -0.111 0.000 1.046 31 D HN 0.142 8.512 8.370 -0.000 0.000 0.507 32 L N 3.883 125.023 121.223 -0.138 0.000 2.362 32 L HA 0.043 4.382 4.340 -0.001 0.000 0.219 32 L C 2.283 179.125 176.870 -0.047 0.000 1.134 32 L CA 1.010 55.797 54.840 -0.088 0.000 0.807 32 L CB -0.677 41.324 42.059 -0.097 0.000 0.927 32 L HN 0.437 8.667 8.230 -0.000 0.000 0.447 33 R N -0.817 119.652 120.500 -0.053 0.000 2.055 33 R HA -0.075 4.264 4.340 -0.001 0.000 0.226 33 R C 2.028 178.317 176.300 -0.018 0.000 1.135 33 R CA 1.689 57.769 56.100 -0.033 0.000 0.959 33 R CB -0.131 30.147 30.300 -0.036 0.000 0.854 33 R HN 0.474 8.743 8.270 -0.000 0.000 0.431 34 T N -1.349 113.192 114.554 -0.022 0.000 3.081 34 T HA 0.099 4.448 4.350 -0.001 0.000 0.250 34 T C 0.229 174.934 174.700 0.008 0.000 1.100 34 T CA -0.140 61.955 62.100 -0.009 0.000 1.038 34 T CB 0.258 69.118 68.868 -0.014 0.000 0.962 34 T HN 0.044 8.284 8.240 -0.000 0.000 0.516 35 K N 1.194 121.603 120.400 0.014 0.000 3.148 35 K HA -0.114 4.206 4.320 -0.001 0.000 0.267 35 K C -0.636 176.016 176.600 0.087 0.000 0.996 35 K CA 0.793 57.128 56.287 0.080 0.000 0.737 35 K CB -1.628 30.938 32.500 0.110 0.000 1.308 35 K HN 0.566 8.816 8.250 -0.000 0.000 0.470 36 K N 0.393 120.798 120.400 0.007 0.000 2.375 36 K HA 0.318 4.637 4.320 -0.001 0.000 0.249 36 K C 0.669 177.240 176.600 -0.048 0.000 0.942 36 K CA -0.529 55.765 56.287 0.010 0.000 0.806 36 K CB 2.009 34.510 32.500 0.001 0.000 1.227 36 K HN 0.266 8.516 8.250 -0.000 0.000 0.430 37 T N -2.214 112.335 114.554 -0.008 0.000 2.788 37 T HA 0.029 4.378 4.350 -0.001 0.000 0.287 37 T C 1.262 175.953 174.700 -0.015 0.000 1.007 37 T CA -0.312 61.779 62.100 -0.013 0.000 1.005 37 T CB 0.733 69.664 68.868 0.105 0.000 1.012 37 T HN 0.727 8.967 8.240 -0.000 0.000 0.530 38 E N 0.133 120.322 120.200 -0.019 0.000 2.409 38 E HA -0.103 4.246 4.350 -0.001 0.000 0.198 38 E C 1.566 178.169 176.600 0.005 0.000 1.024 38 E CA 1.004 57.392 56.400 -0.021 0.000 0.861 38 E CB -0.184 29.499 29.700 -0.029 0.000 0.788 38 E HN 0.653 9.013 8.360 -0.000 0.000 0.521 39 S N -0.555 115.162 115.700 0.029 0.000 2.597 39 S HA 0.332 4.801 4.470 -0.001 0.000 0.224 39 S C 1.453 176.072 174.600 0.030 0.000 0.955 39 S CA 0.199 58.419 58.200 0.033 0.000 0.933 39 S CB 0.266 63.497 63.200 0.052 0.000 0.788 39 S HN 0.556 8.866 8.310 -0.000 0.000 0.488 40 G N 1.008 109.822 108.800 0.023 0.000 2.179 40 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.260 40 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.260 40 G C -0.058 174.859 174.900 0.028 0.000 0.977 40 G CA 0.272 45.384 45.100 0.020 0.000 0.641 40 G HN 0.609 8.899 8.290 -0.000 0.000 0.533 41 K N 0.444 120.870 120.400 0.044 0.000 2.118 41 K HA 0.407 4.727 4.320 -0.001 0.000 0.264 41 K C -0.297 176.336 176.600 0.055 0.000 1.000 41 K CA -0.623 55.693 56.287 0.049 0.000 0.929 41 K CB 0.807 33.346 32.500 0.065 0.000 1.021 41 K HN 0.130 8.380 8.250 -0.000 0.000 0.463 42 D N 1.502 121.926 120.400 0.040 0.000 2.382 42 D HA -0.068 4.572 4.640 -0.001 0.000 0.259 42 D C 0.218 176.556 176.300 0.063 0.000 1.224 42 D CA 0.040 54.065 54.000 0.042 0.000 0.894 42 D CB 0.310 41.116 40.800 0.009 0.000 1.127 42 D HN 0.368 8.738 8.370 -0.000 0.000 0.487 43 F N 3.982 123.877 119.950 -0.092 0.000 2.367 43 F HA 0.058 4.584 4.527 -0.001 0.000 0.298 43 F C 1.576 177.298 175.800 -0.131 0.000 1.094 43 F CA 0.662 58.573 58.000 -0.148 0.000 1.409 43 F CB -0.007 38.908 39.000 -0.142 0.000 1.064 43 F HN 0.464 8.764 8.300 -0.000 0.000 0.528 44 L N -0.336 120.792 121.223 -0.159 0.000 2.362 44 L HA -0.128 4.212 4.340 -0.001 0.000 0.219 44 L C 2.529 179.263 176.870 -0.227 0.000 1.134 44 L CA 0.908 55.610 54.840 -0.230 0.000 0.807 44 L CB -1.024 40.974 42.059 -0.103 0.000 0.927 44 L HN 0.212 8.442 8.230 -0.000 0.000 0.447 45 A N -0.146 122.568 122.820 -0.176 0.000 2.016 45 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 45 A C 2.130 179.603 177.584 -0.184 0.000 1.162 45 A CA 0.842 52.797 52.037 -0.137 0.000 0.662 45 A CB -0.189 18.765 19.000 -0.078 0.000 0.812 45 A HN 0.306 8.456 8.150 -0.000 0.000 0.450 46 I N -0.765 119.630 120.570 -0.292 0.000 2.296 46 I HA -0.016 4.153 4.170 -0.001 0.000 0.242 46 I C 0.614 176.480 176.117 -0.418 0.000 1.087 46 I CA 0.740 61.839 61.300 -0.334 0.000 1.393 46 I CB 0.130 37.875 38.000 -0.425 0.000 1.093 46 I HN 0.303 8.513 8.210 -0.000 0.000 0.421 47 N N 0.287 118.566 118.700 -0.703 0.000 2.576 47 N HA 0.229 4.969 4.740 -0.001 0.000 0.269 47 N C -2.198 173.036 175.510 -0.460 0.000 1.058 47 N CA -2.200 50.514 53.050 -0.561 0.000 0.860 47 N CB 1.489 39.589 38.487 -0.645 0.000 1.249 47 N HN -0.215 8.165 8.380 -0.000 0.000 0.525 48 P HA -0.119 4.301 4.420 -0.000 0.000 0.220 48 P C 0.431 177.647 177.300 -0.140 0.000 1.144 48 P CA 1.300 64.294 63.100 -0.177 0.000 0.800 48 P CB 0.321 31.949 31.700 -0.121 0.000 0.772 49 K N -1.622 118.696 120.400 -0.137 0.000 2.432 49 K HA 0.120 4.440 4.320 -0.001 0.000 0.196 49 K C 1.249 177.815 176.600 -0.056 0.000 1.038 49 K CA 0.675 56.916 56.287 -0.076 0.000 0.986 49 K CB -0.586 31.883 32.500 -0.051 0.000 0.782 49 K HN 0.122 8.372 8.250 -0.000 0.000 0.485 50 G N 2.422 111.150 108.800 -0.120 0.000 2.283 50 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.280 50 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.280 50 G C -0.387 174.625 174.900 0.187 0.000 1.029 50 G CA 0.590 45.689 45.100 -0.002 0.000 0.840 50 G HN 0.418 8.708 8.290 -0.000 0.000 0.505 51 Q N -1.645 118.281 119.800 0.210 0.000 2.528 51 Q HA 0.767 5.106 4.340 -0.001 0.000 0.289 51 Q C -0.083 176.119 176.000 0.337 0.000 1.091 51 Q CA -0.835 55.114 55.803 0.243 0.000 0.797 51 Q CB 2.722 31.541 28.738 0.135 0.000 1.466 51 Q HN 0.788 9.058 8.270 -0.000 0.000 0.436 52 V N -2.251 117.796 119.914 0.222 0.000 2.815 52 V HA 0.738 4.857 4.120 -0.001 0.000 0.314 52 V C -2.562 173.649 176.094 0.194 0.000 1.064 52 V CA -2.274 60.151 62.300 0.209 0.000 0.952 52 V CB 1.338 33.221 31.823 0.099 0.000 1.020 52 V HN 0.685 8.875 8.190 -0.000 0.000 0.439 53 P HA 0.530 4.950 4.420 -0.000 0.000 0.276 53 P C -1.104 176.330 177.300 0.222 0.000 1.261 53 P CA -0.381 62.839 63.100 0.200 0.000 0.800 53 P CB 1.677 33.469 31.700 0.153 0.000 1.066 54 V N 0.993 121.074 119.914 0.278 0.000 2.777 54 V HA 0.286 4.405 4.120 -0.001 0.000 0.306 54 V C -0.530 175.745 176.094 0.303 0.000 1.112 54 V CA -0.596 61.876 62.300 0.286 0.000 0.917 54 V CB 1.939 33.989 31.823 0.378 0.000 1.018 54 V HN 0.436 8.626 8.190 -0.000 0.000 0.426 55 L N 3.688 125.022 121.223 0.185 0.000 2.333 55 L HA 0.594 4.933 4.340 -0.001 0.000 0.280 55 L C -0.261 176.682 176.870 0.122 0.000 1.004 55 L CA 0.233 55.154 54.840 0.135 0.000 0.820 55 L CB 1.722 43.819 42.059 0.063 0.000 1.247 55 L HN 0.710 8.940 8.230 -0.000 0.000 0.416 56 Q N 4.937 124.822 119.800 0.141 0.000 2.314 56 Q HA 0.445 4.784 4.340 -0.001 0.000 0.259 56 Q C -1.097 174.944 176.000 0.068 0.000 0.951 56 Q CA -0.585 55.294 55.803 0.127 0.000 0.909 56 Q CB 1.403 30.252 28.738 0.185 0.000 1.236 56 Q HN 0.680 8.950 8.270 -0.000 0.000 0.444 57 L N 1.954 123.196 121.223 0.031 0.000 2.456 57 L HA 0.146 4.485 4.340 -0.001 0.000 0.257 57 L C 1.126 178.032 176.870 0.060 0.000 1.162 57 L CA -0.728 54.136 54.840 0.040 0.000 0.808 57 L CB 0.408 42.456 42.059 -0.017 0.000 1.136 57 L HN 0.568 8.798 8.230 -0.000 0.000 0.466 58 D N 0.798 121.245 120.400 0.078 0.000 2.182 58 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 58 D C 1.444 177.775 176.300 0.051 0.000 0.986 58 D CA 1.395 55.434 54.000 0.065 0.000 0.847 58 D CB -0.228 40.614 40.800 0.069 0.000 0.942 58 D HN 0.618 8.988 8.370 -0.000 0.000 0.467 59 N N -0.303 118.426 118.700 0.049 0.000 2.461 59 N HA 0.025 4.765 4.740 -0.001 0.000 0.188 59 N C 1.408 176.936 175.510 0.029 0.000 1.134 59 N CA 1.069 54.141 53.050 0.037 0.000 0.878 59 N CB 0.249 38.757 38.487 0.036 0.000 0.972 59 N HN 0.202 8.582 8.380 -0.000 0.000 0.456 60 G N -0.743 108.076 108.800 0.032 0.000 2.254 60 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.225 60 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.225 60 G C -0.228 174.685 174.900 0.022 0.000 1.003 60 G CA 0.089 45.208 45.100 0.032 0.000 0.622 60 G HN 0.581 8.871 8.290 -0.000 0.000 0.507 61 D N 1.147 121.549 120.400 0.004 0.000 2.449 61 D HA 0.366 5.006 4.640 -0.001 0.000 0.236 61 D C 0.707 176.994 176.300 -0.021 0.000 1.149 61 D CA 0.110 54.099 54.000 -0.019 0.000 0.878 61 D CB 0.238 41.013 40.800 -0.043 0.000 1.198 61 D HN 0.196 8.566 8.370 -0.000 0.000 0.446 62 I N 3.616 124.169 120.570 -0.027 0.000 2.441 62 I HA 0.308 4.477 4.170 -0.001 0.000 0.295 62 I C -0.137 175.951 176.117 -0.048 0.000 0.994 62 I CA -0.650 60.641 61.300 -0.015 0.000 1.144 62 I CB 1.247 39.238 38.000 -0.016 0.000 1.314 62 I HN 0.310 8.520 8.210 -0.000 0.000 0.445 63 L N 5.688 126.886 121.223 -0.042 0.000 2.356 63 L HA 0.482 4.821 4.340 -0.001 0.000 0.277 63 L C 0.103 176.969 176.870 -0.006 0.000 0.996 63 L CA -0.252 54.551 54.840 -0.062 0.000 0.822 63 L CB 2.234 44.208 42.059 -0.142 0.000 1.256 63 L HN 0.760 8.990 8.230 -0.000 0.000 0.413 64 T N -0.228 114.323 114.554 -0.005 0.000 2.927 64 T HA 0.603 4.952 4.350 -0.001 0.000 0.286 64 T C -0.927 173.788 174.700 0.024 0.000 1.040 64 T CA -0.592 61.521 62.100 0.021 0.000 1.010 64 T CB 1.955 70.825 68.868 0.004 0.000 1.177 64 T HN 0.536 8.776 8.240 -0.000 0.000 0.546 65 E N -0.735 119.491 120.200 0.043 0.000 7.439 65 E HA -0.120 4.229 4.350 -0.001 0.000 0.300 65 E C 0.881 177.499 176.600 0.030 0.000 0.813 65 E CA 0.647 57.072 56.400 0.042 0.000 1.419 65 E CB -1.469 28.248 29.700 0.030 0.000 0.921 65 E HN 1.121 9.481 8.360 -0.000 0.000 0.266 66 G N 2.000 110.816 108.800 0.026 0.000 2.469 66 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 66 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 66 G C 1.435 176.268 174.900 -0.112 0.000 1.150 66 G CA 1.010 46.076 45.100 -0.056 0.000 0.763 66 G HN 0.383 8.673 8.290 -0.000 0.000 0.561 67 V N 1.182 121.046 119.914 -0.083 0.000 2.490 67 V HA -0.090 4.029 4.120 -0.001 0.000 0.250 67 V C 3.207 179.306 176.094 0.008 0.000 1.061 67 V CA 1.945 64.222 62.300 -0.039 0.000 1.064 67 V CB -0.526 31.328 31.823 0.051 0.000 0.670 67 V HN 0.508 8.698 8.190 -0.000 0.000 0.461 68 A N -0.248 122.584 122.820 0.020 0.000 1.898 68 A HA -0.051 4.268 4.320 -0.001 0.000 0.214 68 A C 2.137 179.757 177.584 0.061 0.000 1.183 68 A CA 1.296 53.356 52.037 0.040 0.000 0.622 68 A CB -0.385 18.631 19.000 0.027 0.000 0.824 68 A HN 0.476 8.626 8.150 -0.000 0.000 0.444 69 I N 0.471 121.067 120.570 0.042 0.000 2.179 69 I HA -0.222 3.947 4.170 -0.001 0.000 0.242 69 I C 2.475 178.651 176.117 0.097 0.000 1.088 69 I CA 1.629 62.973 61.300 0.072 0.000 1.357 69 I CB -0.256 37.771 38.000 0.045 0.000 1.051 69 I HN 0.323 8.533 8.210 -0.000 0.000 0.409 70 V N -1.897 118.035 119.914 0.029 0.000 2.809 70 V HA -0.199 3.920 4.120 -0.001 0.000 0.256 70 V C 2.054 178.165 176.094 0.029 0.000 1.080 70 V CA 1.282 63.589 62.300 0.011 0.000 1.102 70 V CB -0.820 30.978 31.823 -0.043 0.000 0.705 70 V HN 0.451 8.641 8.190 -0.000 0.000 0.475 71 Q N -0.739 119.092 119.800 0.052 0.000 2.096 71 Q HA -0.091 4.248 4.340 -0.001 0.000 0.197 71 Q C 2.150 178.191 176.000 0.068 0.000 0.964 71 Q CA 1.787 57.619 55.803 0.049 0.000 0.838 71 Q CB -0.309 28.462 28.738 0.054 0.000 0.906 71 Q HN 0.822 9.092 8.270 -0.000 0.000 0.444 72 Y N 1.435 121.733 120.300 -0.004 0.000 2.181 72 Y HA -0.238 4.312 4.550 -0.001 0.000 0.288 72 Y C 1.748 177.646 175.900 -0.002 0.000 1.146 72 Y CA 1.358 59.458 58.100 0.000 0.000 1.164 72 Y CB -0.202 38.261 38.460 0.006 0.000 0.982 72 Y HN -0.003 8.277 8.280 -0.000 0.000 0.515 73 L N -0.173 121.033 121.223 -0.029 0.000 1.976 73 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 73 L C 2.851 179.641 176.870 -0.133 0.000 1.071 73 L CA 1.335 56.106 54.840 -0.115 0.000 0.746 73 L CB -1.224 40.830 42.059 -0.008 0.000 0.890 73 L HN 0.326 8.556 8.230 -0.000 0.000 0.432 74 A N -0.390 122.390 122.820 -0.066 0.000 1.978 74 A HA -0.251 4.069 4.320 -0.001 0.000 0.220 74 A C 1.858 179.400 177.584 -0.069 0.000 1.170 74 A CA 2.054 54.063 52.037 -0.047 0.000 0.636 74 A CB -0.576 18.413 19.000 -0.018 0.000 0.810 74 A HN 0.384 8.534 8.150 -0.000 0.000 0.448 75 D N -0.385 119.956 120.400 -0.098 0.000 2.310 75 D HA -0.035 4.604 4.640 -0.001 0.000 0.212 75 D C 1.683 177.903 176.300 -0.134 0.000 0.965 75 D CA 0.568 54.508 54.000 -0.100 0.000 0.879 75 D CB -0.122 40.623 40.800 -0.091 0.000 0.921 75 D HN 0.478 8.848 8.370 -0.000 0.000 0.510 76 L N -0.688 120.419 121.223 -0.194 0.000 2.313 76 L HA -0.001 4.338 4.340 -0.001 0.000 0.214 76 L C 0.808 177.618 176.870 -0.100 0.000 1.119 76 L CA 0.672 55.402 54.840 -0.184 0.000 0.809 76 L CB 0.225 42.131 42.059 -0.256 0.000 0.933 76 L HN -0.218 8.012 8.230 -0.000 0.000 0.449 77 K N -0.786 119.569 120.400 -0.076 0.000 2.877 77 K HA 0.228 4.547 4.320 -0.001 0.000 0.176 77 K C -1.869 174.714 176.600 -0.028 0.000 1.075 77 K CA -1.644 54.617 56.287 -0.042 0.000 0.939 77 K CB 0.910 33.392 32.500 -0.031 0.000 1.237 77 K HN -0.242 8.008 8.250 -0.000 0.000 0.607 78 P HA -0.219 4.201 4.420 -0.000 0.000 0.216 78 P C 0.207 177.500 177.300 -0.011 0.000 1.154 78 P CA 1.301 64.390 63.100 -0.019 0.000 0.865 78 P CB 0.275 31.963 31.700 -0.021 0.000 0.789 79 D N -1.328 119.065 120.400 -0.012 0.000 2.354 79 D HA -0.135 4.505 4.640 -0.001 0.000 0.216 79 D C 1.782 178.079 176.300 -0.005 0.000 0.970 79 D CA 0.699 54.692 54.000 -0.011 0.000 0.905 79 D CB -0.301 40.492 40.800 -0.012 0.000 0.903 79 D HN 0.203 8.573 8.370 -0.000 0.000 0.508 80 R N 0.364 120.867 120.500 0.005 0.000 2.210 80 R HA 0.051 4.390 4.340 -0.001 0.000 0.203 80 R C 0.489 176.818 176.300 0.049 0.000 1.010 80 R CA -0.020 56.095 56.100 0.024 0.000 1.008 80 R CB -0.299 30.019 30.300 0.030 0.000 0.923 80 R HN 0.127 8.397 8.270 -0.000 0.000 0.469 81 N N 0.542 119.266 118.700 0.041 0.000 2.780 81 N HA -0.169 4.570 4.740 -0.001 0.000 0.248 81 N C 0.406 176.012 175.510 0.159 0.000 1.102 81 N CA 0.396 53.488 53.050 0.069 0.000 0.697 81 N CB -1.221 37.269 38.487 0.006 0.000 1.028 81 N HN 0.229 8.609 8.380 -0.000 0.000 0.554 82 L N -0.599 120.687 121.223 0.104 0.000 2.509 82 L HA 0.159 4.498 4.340 -0.001 0.000 0.222 82 L C 0.705 177.598 176.870 0.037 0.000 1.123 82 L CA 0.721 55.612 54.840 0.086 0.000 0.856 82 L CB 0.039 42.139 42.059 0.069 0.000 0.985 82 L HN 0.221 8.451 8.230 -0.000 0.000 0.456 83 I N -4.014 116.585 120.570 0.048 0.000 3.006 83 I HA 0.656 4.825 4.170 -0.001 0.000 0.306 83 I C -0.280 175.863 176.117 0.044 0.000 1.250 83 I CA -1.111 60.206 61.300 0.028 0.000 0.996 83 I CB 1.182 39.181 38.000 -0.002 0.000 1.261 83 I HN -0.268 7.942 8.210 -0.000 0.000 0.442 84 A N 2.464 125.304 122.820 0.032 0.000 2.287 84 A HA 0.882 5.202 4.320 -0.001 0.000 0.273 84 A C -2.493 175.080 177.584 -0.019 0.000 1.091 84 A CA -1.471 50.582 52.037 0.026 0.000 0.817 84 A CB -0.537 18.482 19.000 0.031 0.000 1.069 84 A HN 0.620 8.770 8.150 -0.000 0.000 0.492 85 P HA 0.239 4.659 4.420 -0.000 0.000 0.269 85 P C -2.513 174.748 177.300 -0.064 0.000 1.209 85 P CA -0.808 62.275 63.100 -0.030 0.000 0.776 85 P CB -0.425 31.267 31.700 -0.013 0.000 0.876 86 P HA -0.021 4.399 4.420 -0.000 0.000 0.267 86 P C 0.211 177.472 177.300 -0.066 0.000 1.200 86 P CA 0.369 63.414 63.100 -0.091 0.000 0.772 86 P CB 0.131 31.808 31.700 -0.038 0.000 0.855 87 K N -1.879 118.463 120.400 -0.097 0.000 3.547 87 K HA -0.199 4.121 4.320 -0.001 0.000 0.309 87 K C 0.401 177.083 176.600 0.136 0.000 1.324 87 K CA 1.145 57.499 56.287 0.112 0.000 0.988 87 K CB -2.091 30.480 32.500 0.119 0.000 1.261 87 K HN 0.659 8.909 8.250 -0.000 0.000 0.444 88 A N 1.368 124.177 122.820 -0.018 0.000 2.340 88 A HA 0.390 4.710 4.320 -0.001 0.000 0.268 88 A C 1.459 179.097 177.584 0.091 0.000 1.100 88 A CA -0.400 51.663 52.037 0.043 0.000 0.803 88 A CB 0.483 19.487 19.000 0.008 0.000 1.043 88 A HN 0.195 8.345 8.150 -0.000 0.000 0.488 89 L N 0.551 121.883 121.223 0.181 0.000 2.042 89 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 89 L C 2.487 179.489 176.870 0.220 0.000 1.076 89 L CA 2.325 57.316 54.840 0.253 0.000 0.749 89 L CB -0.373 41.809 42.059 0.205 0.000 0.893 89 L HN 1.098 9.328 8.230 -0.000 0.000 0.432 90 E N 0.078 120.383 120.200 0.176 0.000 2.160 90 E HA -0.311 4.039 4.350 -0.001 0.000 0.195 90 E C 2.172 178.836 176.600 0.106 0.000 0.991 90 E CA 1.170 57.681 56.400 0.185 0.000 0.810 90 E CB 0.090 29.870 29.700 0.134 0.000 0.742 90 E HN 0.208 8.568 8.360 -0.000 0.000 0.466 91 R N -0.331 120.144 120.500 -0.042 0.000 2.092 91 R HA -0.156 4.184 4.340 -0.001 0.000 0.231 91 R C 1.759 177.926 176.300 -0.221 0.000 1.119 91 R CA 1.694 57.684 56.100 -0.182 0.000 0.970 91 R CB -0.658 29.422 30.300 -0.366 0.000 0.864 91 R HN 0.272 8.542 8.270 -0.000 0.000 0.440 92 Y N -0.655 119.646 120.300 0.002 0.000 2.373 92 Y HA -0.091 4.459 4.550 -0.001 0.000 0.293 92 Y C 2.226 178.086 175.900 -0.067 0.000 1.129 92 Y CA 1.337 59.400 58.100 -0.063 0.000 1.226 92 Y CB -0.280 38.090 38.460 -0.150 0.000 1.000 92 Y HN 0.230 8.510 8.280 -0.000 0.000 0.549 93 H N -0.489 118.704 119.070 0.205 0.000 2.502 93 H HA -0.051 4.505 4.556 -0.001 0.000 0.283 93 H C 1.729 177.217 175.328 0.267 0.000 1.015 93 H CA 1.120 57.293 56.048 0.209 0.000 1.298 93 H CB 0.131 30.011 29.762 0.196 0.000 1.411 93 H HN 0.499 8.778 8.280 -0.000 0.000 0.556 94 Q N -0.001 119.968 119.800 0.282 0.000 2.096 94 Q HA -0.005 4.335 4.340 -0.001 0.000 0.197 94 Q C 2.427 178.565 176.000 0.230 0.000 0.964 94 Q CA 0.559 56.502 55.803 0.234 0.000 0.838 94 Q CB 0.280 29.080 28.738 0.104 0.000 0.906 94 Q HN 0.363 8.633 8.270 -0.000 0.000 0.444 95 I N 0.895 121.557 120.570 0.154 0.000 2.286 95 I HA -0.291 3.878 4.170 -0.001 0.000 0.248 95 I C 2.465 178.680 176.117 0.163 0.000 1.115 95 I CA 1.205 62.588 61.300 0.138 0.000 1.392 95 I CB -0.225 37.840 38.000 0.108 0.000 1.065 95 I HN 0.356 8.566 8.210 -0.000 0.000 0.418 96 E N 0.407 120.703 120.200 0.160 0.000 2.077 96 E HA -0.267 4.083 4.350 -0.001 0.000 0.193 96 E C 2.151 178.784 176.600 0.054 0.000 0.989 96 E CA 1.603 58.052 56.400 0.082 0.000 0.800 96 E CB -0.176 29.561 29.700 0.061 0.000 0.746 96 E HN 0.474 8.834 8.360 -0.000 0.000 0.452 97 W N 0.071 121.461 121.300 0.151 0.000 2.418 97 W HA -0.072 4.588 4.660 -0.001 0.000 0.292 97 W C 2.113 178.768 176.519 0.226 0.000 1.213 97 W CA -0.055 57.397 57.345 0.178 0.000 1.283 97 W CB -0.144 29.381 29.460 0.109 0.000 1.119 97 W HN 0.189 8.369 8.180 -0.000 0.000 0.542 98 L N 0.640 122.109 121.223 0.409 0.000 2.083 98 L HA -0.231 4.109 4.340 -0.001 0.000 0.209 98 L C 2.051 179.114 176.870 0.321 0.000 1.083 98 L CA 1.726 56.790 54.840 0.373 0.000 0.752 98 L CB -1.530 40.685 42.059 0.260 0.000 0.899 98 L HN 0.164 8.394 8.230 -0.000 0.000 0.433 99 N N -1.137 117.701 118.700 0.229 0.000 2.216 99 N HA -0.212 4.527 4.740 -0.001 0.000 0.183 99 N C 2.061 177.657 175.510 0.143 0.000 1.017 99 N CA 0.749 53.896 53.050 0.162 0.000 0.861 99 N CB 0.027 38.579 38.487 0.109 0.000 0.986 99 N HN 0.270 8.650 8.380 -0.000 0.000 0.428 100 F N 2.068 122.006 119.950 -0.020 0.000 2.102 100 F HA -0.070 4.457 4.527 -0.001 0.000 0.298 100 F C 2.055 177.838 175.800 -0.029 0.000 1.105 100 F CA 1.136 59.076 58.000 -0.100 0.000 1.239 100 F CB -0.416 38.407 39.000 -0.295 0.000 0.991 100 F HN -0.038 8.262 8.300 -0.000 0.000 0.474 101 L N -0.106 121.131 121.223 0.023 0.000 2.093 101 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 101 L C 2.792 179.563 176.870 -0.165 0.000 1.085 101 L CA 1.119 55.841 54.840 -0.196 0.000 0.755 101 L CB -1.228 40.721 42.059 -0.183 0.000 0.904 101 L HN 0.251 8.481 8.230 -0.000 0.000 0.435 102 A N 0.089 122.973 122.820 0.106 0.000 1.873 102 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 102 A C 2.521 180.138 177.584 0.055 0.000 1.186 102 A CA 1.991 54.163 52.037 0.224 0.000 0.616 102 A CB -0.586 18.588 19.000 0.290 0.000 0.823 102 A HN 0.491 8.641 8.150 -0.000 0.000 0.442 103 S N -1.000 114.691 115.700 -0.016 0.000 2.421 103 S HA -0.004 4.465 4.470 -0.001 0.000 0.224 103 S C 1.572 176.103 174.600 -0.115 0.000 1.035 103 S CA 0.923 59.093 58.200 -0.050 0.000 0.953 103 S CB -0.156 63.025 63.200 -0.031 0.000 0.810 103 S HN 0.480 8.790 8.310 -0.000 0.000 0.497 104 E N 1.126 121.162 120.200 -0.274 0.000 2.140 104 E HA 0.168 4.517 4.350 -0.001 0.000 0.191 104 E C 2.249 178.628 176.600 -0.368 0.000 0.973 104 E CA 0.672 56.847 56.400 -0.376 0.000 0.829 104 E CB -0.296 29.000 29.700 -0.673 0.000 0.781 104 E HN 0.463 8.823 8.360 -0.000 0.000 0.466 105 V N 0.442 120.105 119.914 -0.418 0.000 2.391 105 V HA -0.108 4.012 4.120 -0.001 0.000 0.237 105 V C 2.392 178.546 176.094 0.099 0.000 1.046 105 V CA 1.368 63.497 62.300 -0.284 0.000 1.053 105 V CB -0.756 30.801 31.823 -0.443 0.000 0.704 105 V HN 0.289 8.479 8.190 -0.000 0.000 0.475 106 H N 0.490 119.570 119.070 0.016 0.000 2.265 106 H HA -0.251 4.305 4.556 -0.001 0.000 0.295 106 H C 2.220 177.761 175.328 0.354 0.000 1.084 106 H CA 1.975 58.179 56.048 0.260 0.000 1.261 106 H CB 0.243 30.113 29.762 0.180 0.000 1.360 106 H HN 0.119 8.399 8.280 -0.000 0.000 0.487 107 K N 0.165 120.737 120.400 0.286 0.000 2.362 107 K HA -0.012 4.308 4.320 -0.001 0.000 0.200 107 K C 2.088 178.806 176.600 0.197 0.000 1.046 107 K CA 0.799 57.196 56.287 0.183 0.000 0.952 107 K CB -0.461 32.065 32.500 0.043 0.000 0.753 107 K HN 0.495 8.745 8.250 -0.000 0.000 0.466 108 G N -1.289 107.603 108.800 0.153 0.000 2.484 108 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.218 108 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.218 108 G C 1.212 176.176 174.900 0.107 0.000 1.130 108 G CA 0.370 45.502 45.100 0.054 0.000 0.784 108 G HN 0.262 8.552 8.290 -0.000 0.000 0.543 109 Y N 1.358 121.828 120.300 0.283 0.000 2.286 109 Y HA -0.013 4.537 4.550 -0.001 0.000 0.293 109 Y C 3.176 179.263 175.900 0.313 0.000 1.124 109 Y CA 1.012 59.321 58.100 0.349 0.000 1.178 109 Y CB -0.175 38.734 38.460 0.748 0.000 1.010 109 Y HN 0.152 8.432 8.280 -0.000 0.000 0.536 110 S N 0.675 116.689 115.700 0.524 0.000 2.406 110 S HA -0.244 4.226 4.470 -0.001 0.000 0.242 110 S C -0.469 174.289 174.600 0.264 0.000 1.079 110 S CA 2.364 60.795 58.200 0.386 0.000 1.133 110 S CB -1.483 61.873 63.200 0.261 0.000 1.005 110 S HN 0.366 8.676 8.310 -0.000 0.000 0.443 111 P HA 0.028 4.448 4.420 -0.000 0.000 0.223 111 P C 1.074 178.415 177.300 0.069 0.000 1.151 111 P CA 0.755 63.931 63.100 0.128 0.000 0.787 111 P CB -0.150 31.622 31.700 0.119 0.000 0.788 112 L N -2.947 118.275 121.223 -0.002 0.000 2.465 112 L HA 0.001 4.341 4.340 -0.001 0.000 0.224 112 L C 1.343 178.043 176.870 -0.284 0.000 1.145 112 L CA 0.944 55.682 54.840 -0.169 0.000 0.834 112 L CB -0.569 41.325 42.059 -0.275 0.000 0.944 112 L HN -0.061 8.169 8.230 -0.000 0.000 0.451 113 F N -1.416 118.572 119.950 0.063 0.000 2.678 113 F HA 0.187 4.713 4.527 -0.001 0.000 0.305 113 F C 1.353 177.156 175.800 0.004 0.000 1.090 113 F CA -0.164 57.837 58.000 0.000 0.000 1.272 113 F CB 0.296 39.255 39.000 -0.069 0.000 1.060 113 F HN -0.212 8.088 8.300 -0.000 0.000 0.576 114 S N -0.231 115.568 115.700 0.166 0.000 2.525 114 S HA 0.219 4.689 4.470 -0.001 0.000 0.278 114 S C 1.277 175.924 174.600 0.079 0.000 1.234 114 S CA -0.169 58.099 58.200 0.115 0.000 1.058 114 S CB 0.973 64.238 63.200 0.109 0.000 0.983 114 S HN 0.275 8.585 8.310 -0.000 0.000 0.495 115 S N 2.132 117.870 115.700 0.063 0.000 2.436 115 S HA -0.090 4.380 4.470 -0.001 0.000 0.228 115 S C 0.861 175.486 174.600 0.043 0.000 1.014 115 S CA 0.721 58.949 58.200 0.047 0.000 0.950 115 S CB -0.443 62.779 63.200 0.037 0.000 0.784 115 S HN 0.850 9.160 8.310 -0.000 0.000 0.504 116 D N 1.558 121.985 120.400 0.045 0.000 2.344 116 D HA 0.079 4.718 4.640 -0.001 0.000 0.242 116 D C -0.333 175.996 176.300 0.048 0.000 1.159 116 D CA 0.018 54.041 54.000 0.039 0.000 0.859 116 D CB -0.727 40.092 40.800 0.032 0.000 0.925 116 D HN 0.160 8.530 8.370 -0.000 0.000 0.510 117 T N 1.899 116.492 114.554 0.065 0.000 2.767 117 T HA 0.390 4.740 4.350 -0.001 0.000 0.288 117 T C -2.424 172.329 174.700 0.088 0.000 0.963 117 T CA -1.420 60.738 62.100 0.097 0.000 1.019 117 T CB 1.416 70.360 68.868 0.127 0.000 0.923 117 T HN -0.026 8.214 8.240 -0.000 0.000 0.468 118 P HA 0.087 4.507 4.420 -0.000 0.000 0.263 118 P C 0.822 178.182 177.300 0.101 0.000 1.195 118 P CA -0.057 63.087 63.100 0.073 0.000 0.762 118 P CB 0.551 32.278 31.700 0.045 0.000 0.799 119 E N 2.039 122.277 120.200 0.063 0.000 2.267 119 E HA -0.190 4.159 4.350 -0.001 0.000 0.197 119 E C 0.757 177.392 176.600 0.060 0.000 0.998 119 E CA 1.353 57.784 56.400 0.051 0.000 0.830 119 E CB 0.023 29.742 29.700 0.032 0.000 0.751 119 E HN 0.425 8.785 8.360 -0.000 0.000 0.491 120 S N -0.535 115.212 115.700 0.077 0.000 2.496 120 S HA -0.080 4.390 4.470 -0.001 0.000 0.224 120 S C 1.407 176.094 174.600 0.144 0.000 0.996 120 S CA 0.263 58.513 58.200 0.083 0.000 0.927 120 S CB -0.164 63.076 63.200 0.067 0.000 0.774 120 S HN 0.386 8.696 8.310 -0.000 0.000 0.524 121 Y N 2.227 122.526 120.300 -0.002 0.000 2.476 121 Y HA 0.338 4.887 4.550 -0.001 0.000 0.283 121 Y C 1.630 177.527 175.900 -0.005 0.000 1.109 121 Y CA -0.418 57.681 58.100 -0.002 0.000 1.246 121 Y CB -0.461 37.999 38.460 0.001 0.000 1.068 121 Y HN 0.112 8.392 8.280 -0.000 0.000 0.552 122 L N 0.538 121.769 121.223 0.014 0.000 2.021 122 L HA -0.242 4.097 4.340 -0.001 0.000 0.215 122 L C -0.381 176.418 176.870 -0.119 0.000 1.074 122 L CA 1.815 56.609 54.840 -0.077 0.000 0.760 122 L CB -1.881 40.162 42.059 -0.027 0.000 0.889 122 L HN 0.183 8.413 8.230 -0.000 0.000 0.433 123 P HA -0.137 4.283 4.420 -0.000 0.000 0.215 123 P C 1.966 179.202 177.300 -0.107 0.000 1.153 123 P CA 1.166 64.225 63.100 -0.068 0.000 0.853 123 P CB 0.019 31.702 31.700 -0.029 0.000 0.788 124 V N -0.436 119.390 119.914 -0.146 0.000 2.295 124 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 124 V C 2.510 178.438 176.094 -0.278 0.000 1.049 124 V CA 1.772 63.958 62.300 -0.189 0.000 1.024 124 V CB -1.246 30.459 31.823 -0.196 0.000 0.648 124 V HN -0.035 8.155 8.190 -0.000 0.000 0.447 125 V N -0.533 119.121 119.914 -0.434 0.000 2.295 125 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 125 V C 2.451 178.424 176.094 -0.203 0.000 1.049 125 V CA 2.241 64.323 62.300 -0.362 0.000 1.024 125 V CB -0.612 30.979 31.823 -0.387 0.000 0.648 125 V HN 0.491 8.681 8.190 -0.000 0.000 0.447 126 K N -0.006 120.294 120.400 -0.166 0.000 2.063 126 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 126 K C 2.104 178.654 176.600 -0.083 0.000 1.048 126 K CA 1.629 57.846 56.287 -0.117 0.000 0.928 126 K CB -0.218 32.227 32.500 -0.091 0.000 0.713 126 K HN 0.406 8.656 8.250 -0.000 0.000 0.442 127 N N 0.573 119.226 118.700 -0.078 0.000 2.142 127 N HA -0.138 4.602 4.740 -0.001 0.000 0.186 127 N C 1.565 177.053 175.510 -0.037 0.000 1.023 127 N CA 1.157 54.180 53.050 -0.045 0.000 0.852 127 N CB -0.040 38.423 38.487 -0.041 0.000 0.998 127 N HN 0.020 8.400 8.380 -0.000 0.000 0.424 128 K N 1.264 121.624 120.400 -0.066 0.000 2.063 128 K HA 0.020 4.339 4.320 -0.001 0.000 0.208 128 K C 2.038 178.610 176.600 -0.046 0.000 1.048 128 K CA 0.525 56.778 56.287 -0.056 0.000 0.928 128 K CB -0.438 32.013 32.500 -0.082 0.000 0.713 128 K HN 0.124 8.374 8.250 -0.000 0.000 0.442 129 L N 0.316 121.501 121.223 -0.063 0.000 2.027 129 L HA -0.207 4.132 4.340 -0.001 0.000 0.206 129 L C 2.308 179.234 176.870 0.093 0.000 1.074 129 L CA 1.486 56.297 54.840 -0.049 0.000 0.745 129 L CB -0.253 41.728 42.059 -0.130 0.000 0.898 129 L HN 0.215 8.445 8.230 -0.000 0.000 0.433 130 K N -0.351 120.102 120.400 0.087 0.000 2.147 130 K HA -0.190 4.129 4.320 -0.001 0.000 0.205 130 K C 2.225 178.921 176.600 0.161 0.000 1.049 130 K CA 1.557 57.936 56.287 0.153 0.000 0.936 130 K CB 0.006 32.545 32.500 0.065 0.000 0.722 130 K HN 0.383 8.633 8.250 -0.000 0.000 0.446 131 S N 0.206 115.963 115.700 0.094 0.000 2.419 131 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 131 S C 1.762 176.447 174.600 0.141 0.000 1.016 131 S CA 1.111 59.368 58.200 0.097 0.000 0.974 131 S CB -0.104 63.126 63.200 0.050 0.000 0.786 131 S HN 0.161 8.471 8.310 -0.000 0.000 0.492 132 K N 0.777 121.243 120.400 0.110 0.000 2.031 132 K HA 0.257 4.576 4.320 -0.001 0.000 0.205 132 K C 1.558 178.248 176.600 0.150 0.000 1.049 132 K CA 1.354 57.707 56.287 0.111 0.000 0.939 132 K CB -0.728 31.689 32.500 -0.137 0.000 0.717 132 K HN 0.451 8.701 8.250 -0.000 0.000 0.438 133 F N -0.074 119.962 119.950 0.142 0.000 2.234 133 F HA -0.138 4.388 4.527 -0.001 0.000 0.299 133 F C 2.047 177.924 175.800 0.128 0.000 1.087 133 F CA 0.642 58.721 58.000 0.131 0.000 1.340 133 F CB -0.379 38.660 39.000 0.066 0.000 1.031 133 F HN -0.217 8.083 8.300 -0.000 0.000 0.500 134 V N -0.822 119.264 119.914 0.287 0.000 2.343 134 V HA -0.333 3.787 4.120 -0.001 0.000 0.247 134 V C 2.075 178.280 176.094 0.185 0.000 1.051 134 V CA 1.942 64.362 62.300 0.200 0.000 1.036 134 V CB -0.879 31.039 31.823 0.158 0.000 0.654 134 V HN 0.413 8.603 8.190 -0.000 0.000 0.451 135 Y N 0.567 120.929 120.300 0.103 0.000 2.145 135 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 135 Y C 2.206 178.159 175.900 0.087 0.000 1.145 135 Y CA 1.630 59.772 58.100 0.069 0.000 1.148 135 Y CB -0.294 38.200 38.460 0.058 0.000 0.981 135 Y HN 0.196 8.476 8.280 -0.000 0.000 0.507 136 I N 0.473 121.082 120.570 0.065 0.000 2.226 136 I HA -0.335 3.834 4.170 -0.001 0.000 0.245 136 I C 2.276 178.321 176.117 -0.120 0.000 1.100 136 I CA 1.865 63.148 61.300 -0.029 0.000 1.374 136 I CB -0.522 37.550 38.000 0.120 0.000 1.057 136 I HN 0.304 8.514 8.210 -0.000 0.000 0.413 137 N N 0.882 119.582 118.700 0.000 0.000 2.120 137 N HA -0.221 4.518 4.740 -0.001 0.000 0.188 137 N C 1.511 176.953 175.510 -0.113 0.000 1.024 137 N CA 1.625 54.683 53.050 0.013 0.000 0.852 137 N CB -0.045 38.517 38.487 0.124 0.000 1.003 137 N HN 0.180 8.560 8.380 -0.000 0.000 0.424 138 D N -0.489 119.827 120.400 -0.140 0.000 2.097 138 D HA -0.107 4.532 4.640 -0.001 0.000 0.195 138 D C 2.011 178.136 176.300 -0.291 0.000 0.989 138 D CA 0.837 54.712 54.000 -0.207 0.000 0.827 138 D CB -0.419 40.299 40.800 -0.136 0.000 0.966 138 D HN 0.104 8.474 8.370 -0.000 0.000 0.456 139 V N 1.100 120.809 119.914 -0.342 0.000 2.332 139 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 139 V C 2.417 178.327 176.094 -0.306 0.000 1.055 139 V CA 1.059 63.158 62.300 -0.335 0.000 1.038 139 V CB -0.389 31.198 31.823 -0.394 0.000 0.651 139 V HN 0.247 8.437 8.190 -0.000 0.000 0.450 140 L N 0.892 121.929 121.223 -0.310 0.000 2.622 140 L HA -0.041 4.299 4.340 -0.001 0.000 0.233 140 L C 2.355 179.094 176.870 -0.218 0.000 1.156 140 L CA 1.086 55.771 54.840 -0.258 0.000 0.866 140 L CB -0.478 41.434 42.059 -0.246 0.000 0.980 140 L HN 0.552 8.782 8.230 -0.000 0.000 0.448 141 S N -0.104 115.356 115.700 -0.400 0.000 2.496 141 S HA -0.068 4.401 4.470 -0.001 0.000 0.224 141 S C 1.394 175.864 174.600 -0.215 0.000 0.996 141 S CA 0.131 58.004 58.200 -0.545 0.000 0.927 141 S CB 0.068 62.713 63.200 -0.925 0.000 0.774 141 S HN 0.439 8.749 8.310 -0.000 0.000 0.524 142 K N 1.254 121.550 120.400 -0.174 0.000 2.447 142 K HA 0.343 4.663 4.320 -0.001 0.000 0.205 142 K C 0.160 176.710 176.600 -0.082 0.000 1.059 142 K CA -0.418 55.807 56.287 -0.104 0.000 1.065 142 K CB 0.243 32.684 32.500 -0.099 0.000 0.885 142 K HN 0.676 8.926 8.250 -0.000 0.000 0.545 143 Q N -0.857 118.887 119.800 -0.092 0.000 2.522 143 Q HA 0.411 4.750 4.340 -0.001 0.000 0.285 143 Q C -0.589 175.382 176.000 -0.048 0.000 0.982 143 Q CA -1.126 54.633 55.803 -0.074 0.000 0.805 143 Q CB 1.144 29.814 28.738 -0.112 0.000 1.457 143 Q HN -0.106 8.164 8.270 -0.000 0.000 0.394 144 K N -0.312 120.083 120.400 -0.007 0.000 2.167 144 K HA 0.175 4.495 4.320 -0.001 0.000 0.203 144 K C 0.126 176.789 176.600 0.105 0.000 1.052 144 K CA 0.914 57.236 56.287 0.058 0.000 0.956 144 K CB 0.300 32.843 32.500 0.071 0.000 0.735 144 K HN 0.519 8.769 8.250 -0.000 0.000 0.451 145 C N -0.808 118.493 119.300 0.001 0.000 3.044 145 C HA 0.163 4.623 4.460 -0.001 0.000 0.315 145 C C 2.095 176.915 174.990 -0.284 0.000 1.320 145 C CA -1.117 57.897 59.018 -0.007 0.000 1.582 145 C CB 1.631 29.373 27.740 0.003 0.000 2.039 145 C HN 0.184 8.414 8.230 -0.000 0.000 0.466 146 V N -0.927 118.730 119.914 -0.428 0.000 2.392 146 V HA -0.148 3.972 4.120 -0.001 0.000 0.249 146 V C 1.318 176.859 176.094 -0.920 0.000 1.059 146 V CA 2.083 63.903 62.300 -0.800 0.000 1.051 146 V CB -1.177 30.099 31.823 -0.912 0.000 0.658 146 V HN 0.957 9.147 8.190 -0.000 0.000 0.455 147 C N 0.570 119.510 119.300 -0.601 0.000 3.038 147 C HA 0.783 5.243 4.460 -0.001 0.000 0.279 147 C C 1.310 176.139 174.990 -0.269 0.000 1.276 147 C CA 0.099 58.853 59.018 -0.441 0.000 1.697 147 C CB -1.083 26.485 27.740 -0.287 0.000 2.032 147 C HN 0.949 9.179 8.230 -0.000 0.000 0.636 148 G N 1.569 110.214 108.800 -0.258 0.000 2.455 148 G HA2 0.114 4.074 3.960 -0.001 0.000 0.223 148 G HA3 0.114 4.074 3.960 -0.001 0.000 0.223 148 G C -0.532 174.317 174.900 -0.086 0.000 1.226 148 G CA 0.456 45.469 45.100 -0.144 0.000 0.948 148 G HN 0.123 8.413 8.290 -0.000 0.000 0.478 149 D N -0.199 120.220 120.400 0.031 0.000 2.346 149 D HA 0.098 4.738 4.640 -0.001 0.000 0.206 149 D C 0.897 177.290 176.300 0.154 0.000 1.001 149 D CA 1.320 55.373 54.000 0.090 0.000 0.871 149 D CB -0.355 40.511 40.800 0.110 0.000 0.943 149 D HN 0.699 9.069 8.370 -0.000 0.000 0.518 150 H N -1.623 117.465 119.070 0.029 0.000 2.737 150 H HA 0.433 4.989 4.556 -0.001 0.000 0.358 150 H C -1.114 174.276 175.328 0.103 0.000 1.187 150 H CA -1.462 54.627 56.048 0.069 0.000 1.221 150 H CB 0.459 30.255 29.762 0.057 0.000 1.799 150 H HN -0.091 8.189 8.280 -0.000 0.000 0.568 151 F N 2.574 122.552 119.950 0.047 0.000 2.472 151 F HA 0.290 4.816 4.527 -0.001 0.000 0.364 151 F C 0.077 175.863 175.800 -0.024 0.000 1.090 151 F CA 0.177 58.168 58.000 -0.015 0.000 1.188 151 F CB 0.496 39.492 39.000 -0.008 0.000 1.105 151 F HN 0.789 9.089 8.300 -0.000 0.000 0.536 152 T N 1.864 116.071 114.554 -0.578 0.000 2.858 152 T HA 0.353 4.703 4.350 -0.001 0.000 0.285 152 T C 1.053 175.431 174.700 -0.538 0.000 1.052 152 T CA -0.218 61.645 62.100 -0.394 0.000 1.009 152 T CB 0.953 69.650 68.868 -0.285 0.000 1.241 152 T HN 0.577 8.817 8.240 -0.000 0.000 0.542 153 V N -1.116 118.654 119.914 -0.240 0.000 2.594 153 V HA 0.072 4.191 4.120 -0.001 0.000 0.253 153 V C 2.751 178.783 176.094 -0.104 0.000 1.069 153 V CA 1.668 63.875 62.300 -0.156 0.000 1.082 153 V CB -1.969 29.823 31.823 -0.050 0.000 0.680 153 V HN 1.020 9.210 8.190 -0.000 0.000 0.469 154 A N 0.301 123.070 122.820 -0.085 0.000 2.015 154 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 154 A C 2.010 179.600 177.584 0.010 0.000 1.163 154 A CA 1.673 53.740 52.037 0.051 0.000 0.646 154 A CB -0.609 18.421 19.000 0.049 0.000 0.806 154 A HN 0.606 8.756 8.150 -0.000 0.000 0.448 155 D N 0.123 120.399 120.400 -0.207 0.000 2.149 155 D HA -0.023 4.617 4.640 -0.001 0.000 0.201 155 D C 2.234 178.531 176.300 -0.004 0.000 0.972 155 D CA 1.258 55.180 54.000 -0.130 0.000 0.835 155 D CB -0.166 40.360 40.800 -0.457 0.000 0.966 155 D HN 0.438 8.808 8.370 -0.000 0.000 0.476 156 A N 0.653 123.393 122.820 -0.133 0.000 1.933 156 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 156 A C 2.110 179.851 177.584 0.261 0.000 1.175 156 A CA 0.985 53.105 52.037 0.140 0.000 0.628 156 A CB -0.768 18.293 19.000 0.102 0.000 0.814 156 A HN 0.217 8.367 8.150 -0.000 0.000 0.444 157 Y N -0.238 120.096 120.300 0.056 0.000 2.163 157 Y HA -0.089 4.460 4.550 -0.001 0.000 0.288 157 Y C 2.066 178.005 175.900 0.065 0.000 1.136 157 Y CA 1.259 59.395 58.100 0.059 0.000 1.147 157 Y CB -0.685 37.815 38.460 0.067 0.000 0.987 157 Y HN 0.264 8.544 8.280 -0.000 0.000 0.509 158 L N -0.488 120.846 121.223 0.185 0.000 2.056 158 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 158 L C 2.267 179.259 176.870 0.204 0.000 1.078 158 L CA 1.650 56.571 54.840 0.135 0.000 0.749 158 L CB -1.372 40.812 42.059 0.207 0.000 0.901 158 L HN 0.189 8.419 8.230 -0.000 0.000 0.433 159 F N 0.074 120.111 119.950 0.145 0.000 2.126 159 F HA -0.245 4.282 4.527 -0.001 0.000 0.299 159 F C 2.262 178.072 175.800 0.016 0.000 1.096 159 F CA 2.226 60.285 58.000 0.097 0.000 1.255 159 F CB -0.698 38.344 39.000 0.071 0.000 0.997 159 F HN 0.088 8.388 8.300 -0.000 0.000 0.479 160 T N 1.480 116.091 114.554 0.095 0.000 2.684 160 T HA -0.203 4.146 4.350 -0.001 0.000 0.267 160 T C 2.101 176.461 174.700 -0.567 0.000 1.036 160 T CA 1.921 63.952 62.100 -0.116 0.000 1.148 160 T CB -0.588 68.308 68.868 0.046 0.000 0.863 160 T HN 0.256 8.496 8.240 -0.000 0.000 0.436 161 L N 0.864 121.757 121.223 -0.550 0.000 2.201 161 L HA -0.036 4.303 4.340 -0.001 0.000 0.212 161 L C 2.724 179.400 176.870 -0.323 0.000 1.105 161 L CA 0.719 55.091 54.840 -0.780 0.000 0.775 161 L CB -0.474 41.339 42.059 -0.409 0.000 0.913 161 L HN 0.232 8.462 8.230 -0.000 0.000 0.440 162 S N -0.870 114.741 115.700 -0.148 0.000 2.387 162 S HA -0.128 4.342 4.470 -0.001 0.000 0.226 162 S C 1.906 176.399 174.600 -0.178 0.000 1.026 162 S CA 0.626 58.780 58.200 -0.077 0.000 0.972 162 S CB -0.102 63.065 63.200 -0.055 0.000 0.814 162 S HN 0.389 8.699 8.310 -0.000 0.000 0.477 163 Q N 0.313 119.924 119.800 -0.315 0.000 2.197 163 Q HA -0.110 4.229 4.340 -0.001 0.000 0.207 163 Q C 1.568 177.691 176.000 0.205 0.000 0.984 163 Q CA 1.111 56.825 55.803 -0.147 0.000 0.869 163 Q CB -0.428 28.218 28.738 -0.154 0.000 0.906 163 Q HN 0.690 8.960 8.270 -0.000 0.000 0.426 164 W N 0.366 121.684 121.300 0.031 0.000 2.519 164 W HA 0.175 4.834 4.660 -0.001 0.000 0.266 164 W C 2.269 178.926 176.519 0.230 0.000 1.253 164 W CA 0.071 57.513 57.345 0.162 0.000 1.274 164 W CB -1.286 28.074 29.460 -0.166 0.000 1.114 164 W HN 0.151 8.331 8.180 -0.000 0.000 0.596 165 A N 1.817 124.851 122.820 0.357 0.000 1.894 165 A HA -0.264 4.056 4.320 -0.001 0.000 0.220 165 A C 0.123 177.771 177.584 0.107 0.000 1.237 165 A CA 2.701 54.867 52.037 0.216 0.000 0.660 165 A CB -2.122 16.860 19.000 -0.031 0.000 0.835 165 A HN 0.159 8.309 8.150 -0.000 0.000 0.461 166 P HA -0.139 4.281 4.420 -0.000 0.000 0.216 166 P C 0.668 177.886 177.300 -0.136 0.000 1.150 166 P CA 1.715 64.739 63.100 -0.127 0.000 0.837 166 P CB -0.349 31.204 31.700 -0.244 0.000 0.786 167 H N -1.342 117.789 119.070 0.102 0.000 2.518 167 H HA -0.010 4.545 4.556 -0.001 0.000 0.289 167 H C 1.224 176.577 175.328 0.041 0.000 1.051 167 H CA 1.054 57.158 56.048 0.094 0.000 1.280 167 H CB -0.401 29.456 29.762 0.157 0.000 1.380 167 H HN 0.097 8.377 8.280 -0.000 0.000 0.566 168 V N -3.950 116.026 119.914 0.104 0.000 3.159 168 V HA 0.636 4.756 4.120 -0.001 0.000 0.333 168 V C 1.108 177.195 176.094 -0.013 0.000 1.424 168 V CA -0.117 62.173 62.300 -0.016 0.000 1.125 168 V CB -0.179 31.568 31.823 -0.126 0.000 1.075 168 V HN 0.319 8.509 8.190 -0.000 0.000 0.482 169 A N 0.452 123.271 122.820 -0.002 0.000 2.791 169 A HA -0.195 4.124 4.320 -0.001 0.000 0.292 169 A C -0.170 177.399 177.584 -0.025 0.000 1.487 169 A CA 1.238 53.263 52.037 -0.019 0.000 0.760 169 A CB -2.001 16.986 19.000 -0.021 0.000 1.031 169 A HN 1.332 9.482 8.150 -0.000 0.000 0.503 170 L N 0.556 121.768 121.223 -0.017 0.000 2.265 170 L HA 0.691 5.030 4.340 -0.001 0.000 0.289 170 L C -0.121 176.710 176.870 -0.065 0.000 1.033 170 L CA -0.382 54.433 54.840 -0.041 0.000 0.814 170 L CB 1.224 43.263 42.059 -0.034 0.000 1.203 170 L HN 0.347 8.577 8.230 -0.000 0.000 0.423 171 D N 4.637 125.000 120.400 -0.062 0.000 2.295 171 D HA 0.262 4.901 4.640 -0.001 0.000 0.248 171 D C 0.113 176.362 176.300 -0.084 0.000 1.154 171 D CA 0.166 54.128 54.000 -0.064 0.000 0.857 171 D CB 0.824 41.599 40.800 -0.041 0.000 1.117 171 D HN 0.627 8.997 8.370 -0.000 0.000 0.468 172 L N 2.989 124.149 121.223 -0.106 0.000 3.122 172 L HA 0.127 4.466 4.340 -0.001 0.000 0.274 172 L C 1.880 178.713 176.870 -0.061 0.000 1.222 172 L CA -0.100 54.670 54.840 -0.117 0.000 1.028 172 L CB 0.369 42.281 42.059 -0.245 0.000 1.386 172 L HN 0.420 8.650 8.230 -0.000 0.000 0.578 173 T N -4.211 110.316 114.554 -0.045 0.000 3.085 173 T HA -0.094 4.255 4.350 -0.001 0.000 0.263 173 T C 1.150 175.839 174.700 -0.017 0.000 1.127 173 T CA 0.846 62.929 62.100 -0.028 0.000 1.103 173 T CB -0.196 68.656 68.868 -0.027 0.000 0.921 173 T HN 0.379 8.619 8.240 -0.000 0.000 0.510 174 D N 1.245 121.638 120.400 -0.011 0.000 2.340 174 D HA 0.042 4.681 4.640 -0.001 0.000 0.220 174 D C 0.646 176.953 176.300 0.011 0.000 1.039 174 D CA -0.037 53.962 54.000 -0.001 0.000 0.866 174 D CB -0.102 40.702 40.800 0.006 0.000 0.913 174 D HN 0.435 8.805 8.370 -0.000 0.000 0.523 175 L N 2.163 123.397 121.223 0.018 0.000 2.475 175 L HA 0.160 4.499 4.340 -0.001 0.000 0.253 175 L C 1.400 178.286 176.870 0.026 0.000 1.137 175 L CA -0.451 54.421 54.840 0.053 0.000 1.058 175 L CB 0.752 42.860 42.059 0.082 0.000 1.382 175 L HN -0.120 8.110 8.230 -0.000 0.000 0.416 176 S N -0.890 114.780 115.700 -0.049 0.000 2.383 176 S HA -0.238 4.231 4.470 -0.001 0.000 0.229 176 S C 1.596 176.119 174.600 -0.130 0.000 1.030 176 S CA 1.284 59.408 58.200 -0.125 0.000 1.002 176 S CB -0.417 62.647 63.200 -0.226 0.000 0.829 176 S HN 0.659 8.969 8.310 -0.000 0.000 0.467 177 H N 1.008 120.097 119.070 0.032 0.000 2.353 177 H HA 0.117 4.673 4.556 -0.001 0.000 0.300 177 H C 2.114 177.481 175.328 0.065 0.000 1.090 177 H CA 1.321 57.388 56.048 0.031 0.000 1.327 177 H CB -0.328 29.430 29.762 -0.008 0.000 1.383 177 H HN 0.275 8.555 8.280 -0.000 0.000 0.508 178 L N 0.441 121.770 121.223 0.177 0.000 2.056 178 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 178 L C 1.936 178.939 176.870 0.222 0.000 1.078 178 L CA 1.500 56.449 54.840 0.181 0.000 0.749 178 L CB -0.283 41.871 42.059 0.159 0.000 0.901 178 L HN 0.167 8.397 8.230 -0.000 0.000 0.433 179 Q N -0.101 119.776 119.800 0.127 0.000 2.084 179 Q HA -0.186 4.153 4.340 -0.001 0.000 0.202 179 Q C 1.929 177.997 176.000 0.113 0.000 0.978 179 Q CA 1.779 57.639 55.803 0.095 0.000 0.844 179 Q CB -0.493 28.266 28.738 0.036 0.000 0.898 179 Q HN 0.593 8.863 8.270 -0.000 0.000 0.426 180 D N -0.549 119.917 120.400 0.110 0.000 2.144 180 D HA -0.146 4.493 4.640 -0.001 0.000 0.200 180 D C 1.809 178.204 176.300 0.159 0.000 0.978 180 D CA 0.792 54.853 54.000 0.103 0.000 0.833 180 D CB -0.404 40.442 40.800 0.078 0.000 0.961 180 D HN 0.334 8.704 8.370 -0.000 0.000 0.470 181 Y N 1.577 121.923 120.300 0.076 0.000 2.200 181 Y HA -0.122 4.427 4.550 -0.001 0.000 0.290 181 Y C 2.121 178.103 175.900 0.138 0.000 1.137 181 Y CA 1.215 59.370 58.100 0.092 0.000 1.163 181 Y CB -0.361 38.151 38.460 0.087 0.000 0.988 181 Y HN -0.127 8.153 8.280 -0.000 0.000 0.518 182 L N 0.149 121.492 121.223 0.200 0.000 2.017 182 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 182 L C 2.881 179.842 176.870 0.152 0.000 1.073 182 L CA 1.218 56.166 54.840 0.181 0.000 0.745 182 L CB -1.088 41.097 42.059 0.211 0.000 0.894 182 L HN 0.387 8.617 8.230 -0.000 0.000 0.432 183 A N 0.007 122.889 122.820 0.104 0.000 1.908 183 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 183 A C 2.373 179.959 177.584 0.005 0.000 1.181 183 A CA 1.802 53.880 52.037 0.067 0.000 0.627 183 A CB -0.491 18.538 19.000 0.050 0.000 0.818 183 A HN 0.295 8.445 8.150 -0.000 0.000 0.445 184 R N -0.579 119.904 120.500 -0.029 0.000 2.062 184 R HA -0.052 4.287 4.340 -0.001 0.000 0.231 184 R C 2.009 178.212 176.300 -0.161 0.000 1.136 184 R CA 1.560 57.613 56.100 -0.078 0.000 0.948 184 R CB -0.345 29.923 30.300 -0.054 0.000 0.845 184 R HN 0.481 8.751 8.270 -0.000 0.000 0.430 185 I N 0.749 121.173 120.570 -0.244 0.000 2.248 185 I HA -0.252 3.917 4.170 -0.001 0.000 0.248 185 I C 2.308 178.143 176.117 -0.470 0.000 1.107 185 I CA 1.521 62.606 61.300 -0.359 0.000 1.373 185 I CB -1.384 36.377 38.000 -0.398 0.000 1.055 185 I HN 0.215 8.425 8.210 -0.000 0.000 0.418 186 A N 0.983 123.605 122.820 -0.331 0.000 2.015 186 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 186 A C 2.015 179.509 177.584 -0.150 0.000 1.163 186 A CA 1.043 52.922 52.037 -0.263 0.000 0.646 186 A CB -0.630 18.420 19.000 0.082 0.000 0.806 186 A HN 0.687 8.837 8.150 -0.000 0.000 0.448 187 Q N -0.223 119.491 119.800 -0.142 0.000 2.365 187 Q HA 0.163 4.503 4.340 -0.001 0.000 0.203 187 Q C 0.159 176.056 176.000 -0.170 0.000 0.929 187 Q CA -0.194 55.530 55.803 -0.131 0.000 0.948 187 Q CB -0.039 28.634 28.738 -0.108 0.000 1.043 187 Q HN 0.457 8.727 8.270 -0.000 0.000 0.505 188 R N 2.200 122.564 120.500 -0.227 0.000 2.389 188 R HA 0.082 4.421 4.340 -0.001 0.000 0.295 188 R C -1.630 174.560 176.300 -0.184 0.000 1.075 188 R CA -1.638 54.308 56.100 -0.258 0.000 1.005 188 R CB 0.383 30.433 30.300 -0.417 0.000 0.987 188 R HN 0.021 8.291 8.270 -0.000 0.000 0.452 189 P HA -0.229 4.191 4.420 -0.000 0.000 0.216 189 P C 0.317 177.578 177.300 -0.065 0.000 1.157 189 P CA 1.463 64.512 63.100 -0.086 0.000 0.880 189 P CB 0.120 31.769 31.700 -0.086 0.000 0.791 190 N N -0.713 117.913 118.700 -0.123 0.000 2.309 190 N HA -0.070 4.669 4.740 -0.001 0.000 0.182 190 N C 1.757 177.173 175.510 -0.157 0.000 1.018 190 N CA 0.830 53.807 53.050 -0.121 0.000 0.876 190 N CB -0.495 37.911 38.487 -0.134 0.000 0.972 190 N HN 0.080 8.460 8.380 -0.000 0.000 0.434 191 V N 1.000 120.792 119.914 -0.205 0.000 2.379 191 V HA -0.147 3.972 4.120 -0.001 0.000 0.243 191 V C 2.355 178.346 176.094 -0.171 0.000 1.035 191 V CA 1.160 63.313 62.300 -0.244 0.000 1.035 191 V CB -0.629 30.947 31.823 -0.411 0.000 0.673 191 V HN 0.419 8.609 8.190 -0.000 0.000 0.457 192 H N 0.565 119.519 119.070 -0.193 0.000 2.352 192 H HA -0.169 4.386 4.556 -0.001 0.000 0.299 192 H C 2.539 177.815 175.328 -0.087 0.000 1.097 192 H CA 2.123 58.100 56.048 -0.118 0.000 1.311 192 H CB 0.005 29.706 29.762 -0.103 0.000 1.377 192 H HN 0.510 8.790 8.280 -0.000 0.000 0.504 193 S N 0.135 115.793 115.700 -0.070 0.000 2.423 193 S HA -0.029 4.441 4.470 -0.001 0.000 0.231 193 S C 2.367 176.867 174.600 -0.165 0.000 1.014 193 S CA 0.906 59.050 58.200 -0.095 0.000 0.965 193 S CB -0.355 62.837 63.200 -0.014 0.000 0.785 193 S HN 0.541 8.851 8.310 -0.000 0.000 0.495 194 A N 1.680 124.359 122.820 -0.235 0.000 1.897 194 A HA 0.211 4.530 4.320 -0.001 0.000 0.215 194 A C 2.273 179.723 177.584 -0.222 0.000 1.181 194 A CA 1.223 53.013 52.037 -0.411 0.000 0.620 194 A CB -0.758 17.942 19.000 -0.501 0.000 0.821 194 A HN 0.563 8.713 8.150 -0.000 0.000 0.443 195 L N -0.555 120.575 121.223 -0.154 0.000 2.017 195 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 195 L C 2.546 179.364 176.870 -0.086 0.000 1.073 195 L CA 1.109 55.908 54.840 -0.068 0.000 0.745 195 L CB -0.697 41.329 42.059 -0.055 0.000 0.894 195 L HN 0.230 8.460 8.230 -0.000 0.000 0.432 196 V N -0.402 119.398 119.914 -0.191 0.000 2.255 196 V HA -0.328 3.792 4.120 -0.001 0.000 0.247 196 V C 2.512 178.584 176.094 -0.037 0.000 1.051 196 V CA 2.525 64.742 62.300 -0.138 0.000 1.018 196 V CB -0.910 30.805 31.823 -0.180 0.000 0.641 196 V HN 0.487 8.677 8.190 -0.000 0.000 0.445 197 T N -0.627 113.914 114.554 -0.022 0.000 2.946 197 T HA -0.184 4.165 4.350 -0.001 0.000 0.271 197 T C 1.526 176.284 174.700 0.097 0.000 1.104 197 T CA 1.332 63.458 62.100 0.044 0.000 1.114 197 T CB -0.241 68.679 68.868 0.087 0.000 0.867 197 T HN 0.604 8.844 8.240 -0.000 0.000 0.513 198 E N -0.386 119.879 120.200 0.109 0.000 2.474 198 E HA 0.272 4.622 4.350 -0.001 0.000 0.195 198 E C 1.494 178.179 176.600 0.140 0.000 1.039 198 E CA 0.192 56.700 56.400 0.179 0.000 0.881 198 E CB 0.426 30.259 29.700 0.222 0.000 0.970 198 E HN 0.500 8.860 8.360 -0.000 0.000 0.486 199 G N 1.431 110.281 108.800 0.084 0.000 2.159 199 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.227 199 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.227 199 G C 0.073 175.008 174.900 0.059 0.000 0.986 199 G CA -0.065 45.075 45.100 0.065 0.000 0.651 199 G HN 0.124 8.414 8.290 -0.000 0.000 0.523 200 L N 0.523 121.782 121.223 0.060 0.000 2.295 200 L HA 0.835 5.175 4.340 -0.001 0.000 0.285 200 L C 1.223 178.111 176.870 0.030 0.000 1.035 200 L CA -1.139 53.740 54.840 0.065 0.000 0.806 200 L CB 0.981 43.097 42.059 0.094 0.000 1.214 200 L HN 0.264 8.494 8.230 -0.000 0.000 0.426 201 I N 0.000 120.591 120.570 0.036 0.000 2.984 201 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 201 I CA 0.000 61.310 61.300 0.017 0.000 1.566 201 I CB 0.000 37.974 38.000 -0.044 0.000 1.214 201 I HN 0.000 8.210 8.210 -0.000 0.000 0.494