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 2gan_1_A DATA FIRST_RESID 2 DATA SEQUENCE EGVKKIKNPS TVKDELLELX FRIYRSTNGK YPALEWVKRK PNPNDFNGFR DATA SEQUENCE EVYEPFLKFR LSQEFDELYT YQKDNRIIGT IALVYKRIKE KGIWWVPEEL DATA SEQUENCE XNEKVGLIEF FVVDPEFQGK GIGSTLLEFA VKRLRSLGKD PYVVTFPNLE DATA SEQUENCE AYSYYYXKKG FREIXRYKEF VILKFNHKKF QLE 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.406 176.600 -0.323 0.000 1.382 2 E CA 0.000 56.286 56.400 -0.190 0.000 0.976 2 E CB 0.000 29.669 29.700 -0.051 0.000 0.812 3 G N -0.561 107.779 108.800 -0.767 0.000 2.359 3 G HA2 0.282 4.242 3.960 -0.001 0.000 0.314 3 G HA3 0.282 4.242 3.960 -0.001 0.000 0.314 3 G C -1.281 173.160 174.900 -0.765 0.000 1.364 3 G CA -0.469 44.226 45.100 -0.675 0.000 0.978 3 G HN 0.593 8.883 8.290 0.000 0.000 0.615 4 V N 0.755 120.415 119.914 -0.423 0.000 2.614 4 V HA 0.580 4.700 4.120 -0.001 0.000 0.291 4 V C 0.586 176.530 176.094 -0.250 0.000 1.049 4 V CA 0.386 62.485 62.300 -0.335 0.000 1.038 4 V CB 1.362 32.902 31.823 -0.472 0.000 0.980 4 V HN 0.878 9.068 8.190 0.000 0.000 0.481 5 K N 4.051 124.358 120.400 -0.156 0.000 2.535 5 K HA 0.419 4.738 4.320 -0.001 0.000 0.250 5 K C -0.737 175.867 176.600 0.007 0.000 0.948 5 K CA -0.797 55.447 56.287 -0.071 0.000 0.796 5 K CB 1.689 34.138 32.500 -0.085 0.000 1.216 5 K HN 0.649 8.899 8.250 0.000 0.000 0.432 6 K N 4.594 125.017 120.400 0.038 0.000 2.270 6 K HA 0.239 4.558 4.320 -0.001 0.000 0.276 6 K C -0.371 176.173 176.600 -0.093 0.000 1.023 6 K CA -0.563 55.681 56.287 -0.073 0.000 0.955 6 K CB 0.589 33.075 32.500 -0.025 0.000 0.975 6 K HN 0.459 8.709 8.250 0.000 0.000 0.471 7 I N 5.362 125.845 120.570 -0.146 0.000 2.307 7 I HA 0.047 4.216 4.170 -0.001 0.000 0.289 7 I C 1.248 177.317 176.117 -0.080 0.000 1.021 7 I CA -0.070 61.184 61.300 -0.075 0.000 1.224 7 I CB 1.046 39.023 38.000 -0.038 0.000 1.376 7 I HN 0.849 9.059 8.210 0.000 0.000 0.470 8 K N 5.428 125.799 120.400 -0.049 0.000 2.044 8 K HA -0.098 4.222 4.320 -0.001 0.000 0.210 8 K C 0.344 176.921 176.600 -0.038 0.000 1.049 8 K CA 1.483 57.747 56.287 -0.038 0.000 0.927 8 K CB 0.280 32.768 32.500 -0.020 0.000 0.713 8 K HN 0.542 8.792 8.250 0.000 0.000 0.443 9 N N 0.500 119.182 118.700 -0.029 0.000 2.804 9 N HA 0.143 4.882 4.740 -0.001 0.000 0.251 9 N C -2.441 173.056 175.510 -0.022 0.000 1.250 9 N CA -1.200 51.832 53.050 -0.029 0.000 0.820 9 N CB 1.750 40.223 38.487 -0.023 0.000 1.156 9 N HN -0.010 8.370 8.380 0.000 0.000 0.512 10 P HA -0.258 4.162 4.420 0.000 0.000 0.219 10 P C 1.584 178.883 177.300 -0.002 0.000 1.151 10 P CA 1.605 64.705 63.100 -0.001 0.000 0.850 10 P CB 0.288 31.993 31.700 0.009 0.000 0.784 11 S N -1.704 113.977 115.700 -0.031 0.000 2.447 11 S HA -0.135 4.334 4.470 -0.001 0.000 0.233 11 S C 1.769 176.371 174.600 0.004 0.000 1.006 11 S CA 1.650 59.832 58.200 -0.030 0.000 0.957 11 S CB -1.919 61.250 63.200 -0.051 0.000 0.773 11 S HN 0.322 8.632 8.310 0.000 0.000 0.507 12 T N -0.058 114.502 114.554 0.009 0.000 3.163 12 T HA 0.105 4.455 4.350 -0.001 0.000 0.260 12 T C 1.222 175.947 174.700 0.043 0.000 1.156 12 T CA 0.636 62.749 62.100 0.021 0.000 1.072 12 T CB -0.443 68.433 68.868 0.013 0.000 0.937 12 T HN 0.726 8.966 8.240 0.000 0.000 0.528 13 V N -2.856 117.095 119.914 0.061 0.000 3.159 13 V HA 0.480 4.600 4.120 -0.001 0.000 0.333 13 V C 1.917 178.089 176.094 0.131 0.000 1.424 13 V CA -0.713 61.643 62.300 0.092 0.000 1.125 13 V CB 0.215 32.099 31.823 0.102 0.000 1.075 13 V HN 0.132 8.322 8.190 0.000 0.000 0.482 14 K N 1.676 122.144 120.400 0.113 0.000 2.044 14 K HA -0.247 4.073 4.320 -0.001 0.000 0.210 14 K C 1.497 178.207 176.600 0.184 0.000 1.049 14 K CA 2.487 58.859 56.287 0.141 0.000 0.927 14 K CB -0.290 32.262 32.500 0.087 0.000 0.713 14 K HN 0.595 8.845 8.250 0.000 0.000 0.443 15 D N 0.548 121.040 120.400 0.152 0.000 2.097 15 D HA -0.184 4.455 4.640 -0.001 0.000 0.195 15 D C 1.917 178.334 176.300 0.195 0.000 0.989 15 D CA 1.159 55.262 54.000 0.172 0.000 0.827 15 D CB -0.151 40.726 40.800 0.128 0.000 0.966 15 D HN 0.481 8.851 8.370 0.000 0.000 0.456 16 E N 0.340 120.638 120.200 0.163 0.000 2.077 16 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 16 E C 2.357 179.080 176.600 0.205 0.000 0.989 16 E CA 0.498 56.994 56.400 0.159 0.000 0.800 16 E CB -0.050 29.723 29.700 0.122 0.000 0.746 16 E HN 0.194 8.554 8.360 0.000 0.000 0.452 17 L N 0.314 121.685 121.223 0.247 0.000 2.056 17 L HA -0.162 4.177 4.340 -0.001 0.000 0.207 17 L C 2.589 179.684 176.870 0.376 0.000 1.078 17 L CA 0.411 55.445 54.840 0.323 0.000 0.749 17 L CB -0.395 41.927 42.059 0.439 0.000 0.901 17 L HN 0.272 8.502 8.230 0.000 0.000 0.433 18 L N 0.413 121.873 121.223 0.396 0.000 2.013 18 L HA -0.284 4.056 4.340 -0.001 0.000 0.212 18 L C 2.490 179.650 176.870 0.484 0.000 1.073 18 L CA 2.037 57.160 54.840 0.473 0.000 0.753 18 L CB -0.498 41.805 42.059 0.405 0.000 0.890 18 L HN 0.288 8.518 8.230 0.000 0.000 0.432 19 E N -0.913 119.543 120.200 0.427 0.000 2.150 19 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 19 E C 1.150 177.937 176.600 0.312 0.000 0.985 19 E CA 0.346 57.005 56.400 0.432 0.000 0.814 19 E CB -0.102 29.767 29.700 0.283 0.000 0.752 19 E HN 0.341 8.701 8.360 0.000 0.000 0.466 23 R N 1.106 121.443 120.500 -0.272 0.000 2.120 23 R HA 0.003 4.343 4.340 -0.001 0.000 0.234 23 R C 1.864 178.000 176.300 -0.274 0.000 1.123 23 R CA 2.194 58.104 56.100 -0.317 0.000 0.975 23 R CB -0.364 29.886 30.300 -0.082 0.000 0.866 23 R HN 0.413 8.683 8.270 0.000 0.000 0.446 24 I N -0.803 119.657 120.570 -0.183 0.000 2.286 24 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 24 I C 2.117 178.165 176.117 -0.115 0.000 1.104 24 I CA 1.051 62.283 61.300 -0.113 0.000 1.397 24 I CB -0.237 37.733 38.000 -0.050 0.000 1.072 24 I HN 0.138 8.348 8.210 0.000 0.000 0.417 25 Y N 1.576 121.663 120.300 -0.355 0.000 2.224 25 Y HA -0.284 4.265 4.550 -0.001 0.000 0.289 25 Y C 2.799 178.506 175.900 -0.321 0.000 1.146 25 Y CA 1.628 59.529 58.100 -0.331 0.000 1.182 25 Y CB -0.063 38.050 38.460 -0.579 0.000 0.983 25 Y HN -0.022 8.258 8.280 0.000 0.000 0.524 26 R N -0.153 120.104 120.500 -0.406 0.000 2.062 26 R HA -0.120 4.220 4.340 -0.001 0.000 0.226 26 R C 2.590 178.730 176.300 -0.267 0.000 1.125 26 R CA 1.442 57.305 56.100 -0.396 0.000 0.966 26 R CB -0.457 29.504 30.300 -0.564 0.000 0.861 26 R HN 0.449 8.719 8.270 0.000 0.000 0.433 27 S N -0.303 115.260 115.700 -0.229 0.000 2.400 27 S HA -0.141 4.328 4.470 -0.001 0.000 0.232 27 S C 1.830 176.351 174.600 -0.131 0.000 1.025 27 S CA 1.609 59.718 58.200 -0.151 0.000 0.993 27 S CB -0.604 62.524 63.200 -0.120 0.000 0.808 27 S HN 0.555 8.865 8.310 0.000 0.000 0.478 28 T N -1.170 113.297 114.554 -0.145 0.000 3.144 28 T HA 0.235 4.584 4.350 -0.001 0.000 0.249 28 T C 0.611 175.180 174.700 -0.218 0.000 1.089 28 T CA 0.078 62.094 62.100 -0.140 0.000 0.989 28 T CB -0.735 68.092 68.868 -0.068 0.000 0.992 28 T HN 0.447 8.687 8.240 0.000 0.000 0.540 29 N N 1.292 119.854 118.700 -0.229 0.000 2.727 29 N HA -0.212 4.528 4.740 -0.001 0.000 0.251 29 N C 0.988 176.316 175.510 -0.303 0.000 1.040 29 N CA 1.109 54.033 53.050 -0.211 0.000 0.712 29 N CB -1.570 36.880 38.487 -0.062 0.000 0.912 29 N HN 1.087 9.467 8.380 0.000 0.000 0.545 30 G N -0.372 108.009 108.800 -0.698 0.000 2.162 30 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.260 30 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.260 30 G C 0.840 175.450 174.900 -0.483 0.000 0.976 30 G CA 1.219 45.717 45.100 -1.004 0.000 0.655 30 G HN 0.635 8.925 8.290 0.000 0.000 0.533 31 K N -0.980 119.085 120.400 -0.558 0.000 2.007 31 K HA 0.235 4.554 4.320 -0.001 0.000 0.206 31 K C 0.401 176.557 176.600 -0.739 0.000 1.047 31 K CA 1.119 56.871 56.287 -0.890 0.000 0.937 31 K CB -0.009 31.814 32.500 -1.127 0.000 0.718 31 K HN 0.459 8.709 8.250 0.000 0.000 0.438 32 Y N -0.220 120.048 120.300 -0.053 0.000 2.545 32 Y HA 0.378 4.927 4.550 -0.001 0.000 0.348 32 Y C -2.396 173.622 175.900 0.196 0.000 1.002 32 Y CA -3.293 54.858 58.100 0.084 0.000 1.039 32 Y CB 1.589 40.062 38.460 0.021 0.000 1.271 32 Y HN 0.012 8.292 8.280 0.000 0.000 0.467 33 P HA 0.254 4.674 4.420 0.000 0.000 0.276 33 P C -0.732 176.816 177.300 0.412 0.000 1.252 33 P CA -0.331 63.039 63.100 0.451 0.000 0.802 33 P CB 1.019 32.982 31.700 0.439 0.000 1.035 34 A N 2.238 125.295 122.820 0.394 0.000 2.498 34 A HA 0.238 4.557 4.320 -0.001 0.000 0.239 34 A C 0.434 178.046 177.584 0.047 0.000 1.068 34 A CA 0.037 52.152 52.037 0.131 0.000 0.766 34 A CB -0.761 18.198 19.000 -0.068 0.000 1.003 34 A HN 0.548 8.698 8.150 0.000 0.000 0.497 35 L N 2.355 123.524 121.223 -0.090 0.000 2.732 35 L HA 0.195 4.534 4.340 -0.001 0.000 0.246 35 L C 1.181 177.847 176.870 -0.340 0.000 1.407 35 L CA -0.129 54.615 54.840 -0.161 0.000 0.861 35 L CB 0.526 42.571 42.059 -0.024 0.000 1.161 35 L HN 1.002 9.232 8.230 0.000 0.000 0.510 36 E N 1.377 121.214 120.200 -0.605 0.000 2.097 36 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 36 E C 0.973 177.076 176.600 -0.828 0.000 1.000 36 E CA 2.088 57.949 56.400 -0.898 0.000 0.804 36 E CB 0.036 28.832 29.700 -1.507 0.000 0.740 36 E HN 0.541 8.901 8.360 0.000 0.000 0.454 37 W N 0.243 121.284 121.300 -0.432 0.000 3.433 37 W HA 0.284 4.943 4.660 -0.001 0.000 0.376 37 W C -0.607 175.773 176.519 -0.231 0.000 1.160 37 W CA -0.673 56.475 57.345 -0.328 0.000 1.832 37 W CB 0.428 29.683 29.460 -0.341 0.000 1.011 37 W HN -0.203 7.977 8.180 0.000 0.000 0.766 38 V N 0.958 120.833 119.914 -0.065 0.000 2.444 38 V HA 0.150 4.269 4.120 -0.001 0.000 0.294 38 V C 1.083 177.155 176.094 -0.038 0.000 1.022 38 V CA -1.271 61.006 62.300 -0.039 0.000 0.850 38 V CB 1.751 33.546 31.823 -0.046 0.000 0.992 38 V HN 0.026 8.216 8.190 0.000 0.000 0.426 39 K N 4.096 124.485 120.400 -0.018 0.000 1.965 39 K HA 0.022 4.341 4.320 -0.001 0.000 0.214 39 K C 0.827 177.420 176.600 -0.011 0.000 1.042 39 K CA 0.915 57.192 56.287 -0.017 0.000 0.950 39 K CB 0.166 32.660 32.500 -0.010 0.000 0.733 39 K HN 0.675 8.925 8.250 0.000 0.000 0.441 40 R N 2.359 122.858 120.500 -0.001 0.000 2.229 40 R HA 0.152 4.491 4.340 -0.001 0.000 0.332 40 R C -1.128 175.193 176.300 0.035 0.000 0.989 40 R CA -0.703 55.403 56.100 0.011 0.000 0.842 40 R CB 0.747 31.052 30.300 0.007 0.000 1.119 40 R HN 0.062 8.332 8.270 0.000 0.000 0.456 41 K N 3.368 123.805 120.400 0.063 0.000 2.249 41 K HA 0.365 4.685 4.320 -0.001 0.000 0.280 41 K C -1.942 174.760 176.600 0.170 0.000 1.033 41 K CA -1.226 55.142 56.287 0.134 0.000 0.946 41 K CB 0.378 32.993 32.500 0.192 0.000 1.005 41 K HN 0.425 8.675 8.250 0.000 0.000 0.469 42 P HA 0.048 4.468 4.420 0.000 0.000 0.274 42 P C -0.885 176.614 177.300 0.331 0.000 1.246 42 P CA -0.534 62.705 63.100 0.232 0.000 0.795 42 P CB 0.555 32.376 31.700 0.202 0.000 1.006 43 N N 1.775 120.620 118.700 0.242 0.000 2.412 43 N HA -0.015 4.724 4.740 -0.001 0.000 0.254 43 N C -1.141 174.564 175.510 0.326 0.000 1.232 43 N CA -1.067 52.107 53.050 0.206 0.000 0.880 43 N CB 0.275 38.851 38.487 0.150 0.000 1.076 43 N HN 0.250 8.630 8.380 0.000 0.000 0.458 44 P HA -0.148 4.272 4.420 0.000 0.000 0.221 44 P C -0.258 177.158 177.300 0.193 0.000 1.145 44 P CA 1.290 64.423 63.100 0.055 0.000 0.795 44 P CB 0.239 31.800 31.700 -0.232 0.000 0.775 45 N N -0.321 118.513 118.700 0.223 0.000 2.280 45 N HA -0.012 4.728 4.740 -0.001 0.000 0.192 45 N C 0.146 175.940 175.510 0.474 0.000 1.109 45 N CA 0.290 53.513 53.050 0.288 0.000 0.855 45 N CB -0.058 38.524 38.487 0.158 0.000 0.974 45 N HN 0.153 8.533 8.380 0.000 0.000 0.482 46 D N 0.452 121.126 120.400 0.457 0.000 2.479 46 D HA 0.035 4.674 4.640 -0.001 0.000 0.218 46 D C 0.740 177.182 176.300 0.238 0.000 1.131 46 D CA -0.615 53.578 54.000 0.321 0.000 0.916 46 D CB 0.026 40.963 40.800 0.227 0.000 1.022 46 D HN -0.042 8.328 8.370 0.000 0.000 0.515 47 F N 4.374 124.168 119.950 -0.261 0.000 2.102 47 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 47 F C 1.645 177.267 175.800 -0.297 0.000 1.105 47 F CA 1.323 58.761 58.000 -0.937 0.000 1.239 47 F CB -0.037 38.272 39.000 -1.152 0.000 0.991 47 F HN 0.292 8.592 8.300 0.000 0.000 0.474 48 N N 0.793 119.482 118.700 -0.019 0.000 2.061 48 N HA -0.171 4.569 4.740 -0.001 0.000 0.193 48 N C 2.117 177.560 175.510 -0.112 0.000 1.030 48 N CA 1.601 54.626 53.050 -0.041 0.000 0.856 48 N CB -1.341 37.188 38.487 0.070 0.000 1.023 48 N HN 0.503 8.883 8.380 0.000 0.000 0.424 49 G N 0.149 108.929 108.800 -0.034 0.000 2.408 49 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 49 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 49 G C 1.405 176.272 174.900 -0.056 0.000 1.150 49 G CA 0.209 45.302 45.100 -0.011 0.000 0.776 49 G HN 0.282 8.572 8.290 0.000 0.000 0.542 50 F N 1.347 121.149 119.950 -0.246 0.000 2.075 50 F HA 0.028 4.555 4.527 -0.001 0.000 0.297 50 F C 2.706 178.321 175.800 -0.308 0.000 1.113 50 F CA 1.861 59.659 58.000 -0.336 0.000 1.218 50 F CB -0.268 38.514 39.000 -0.363 0.000 0.984 50 F HN 0.066 8.366 8.300 0.000 0.000 0.472 51 R N 0.518 120.768 120.500 -0.417 0.000 2.096 51 R HA -0.255 4.084 4.340 -0.001 0.000 0.240 51 R C 2.402 178.556 176.300 -0.243 0.000 1.139 51 R CA 2.104 57.969 56.100 -0.392 0.000 0.952 51 R CB -0.708 29.280 30.300 -0.520 0.000 0.854 51 R HN 0.509 8.779 8.270 0.000 0.000 0.436 52 E N -0.482 119.601 120.200 -0.194 0.000 2.171 52 E HA -0.183 4.166 4.350 -0.001 0.000 0.197 52 E C 1.469 177.997 176.600 -0.121 0.000 0.997 52 E CA 1.371 57.699 56.400 -0.119 0.000 0.810 52 E CB 0.119 29.770 29.700 -0.083 0.000 0.738 52 E HN 0.270 8.630 8.360 0.000 0.000 0.467 53 V N -0.431 119.382 119.914 -0.169 0.000 3.660 53 V HA 0.019 4.139 4.120 -0.001 0.000 0.276 53 V C 0.733 176.735 176.094 -0.153 0.000 1.317 53 V CA 0.379 62.592 62.300 -0.145 0.000 1.097 53 V CB 0.133 31.878 31.823 -0.130 0.000 0.863 53 V HN 0.393 8.583 8.190 0.000 0.000 0.438 54 Y N -0.593 119.463 120.300 -0.407 0.000 2.589 54 Y HA 0.245 4.795 4.550 -0.001 0.000 0.271 54 Y C 2.229 178.064 175.900 -0.109 0.000 1.107 54 Y CA 0.879 58.764 58.100 -0.357 0.000 1.273 54 Y CB 0.420 38.318 38.460 -0.938 0.000 1.266 54 Y HN 0.182 8.462 8.280 0.000 0.000 0.504 55 E N 1.370 121.527 120.200 -0.072 0.000 2.070 55 E HA -0.201 4.148 4.350 -0.001 0.000 0.197 55 E C -0.837 175.720 176.600 -0.071 0.000 1.004 55 E CA 2.052 58.431 56.400 -0.034 0.000 0.805 55 E CB -1.208 28.482 29.700 -0.017 0.000 0.744 55 E HN 0.377 8.737 8.360 0.000 0.000 0.451 56 P HA -0.121 4.299 4.420 0.000 0.000 0.215 56 P C 1.402 178.701 177.300 -0.003 0.000 1.153 56 P CA 1.062 64.142 63.100 -0.034 0.000 0.853 56 P CB -0.328 31.348 31.700 -0.039 0.000 0.788 57 F N 0.354 120.178 119.950 -0.210 0.000 2.102 57 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 57 F C 1.993 177.671 175.800 -0.202 0.000 1.105 57 F CA 1.199 59.087 58.000 -0.188 0.000 1.239 57 F CB -1.165 37.667 39.000 -0.280 0.000 0.991 57 F HN -0.234 8.066 8.300 0.000 0.000 0.474 58 L N 0.934 121.902 121.223 -0.425 0.000 2.017 58 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 58 L C 2.459 179.149 176.870 -0.301 0.000 1.073 58 L CA 2.117 56.720 54.840 -0.394 0.000 0.745 58 L CB -1.122 40.851 42.059 -0.143 0.000 0.894 58 L HN 0.205 8.435 8.230 0.000 0.000 0.432 59 K N -1.196 119.105 120.400 -0.166 0.000 2.044 59 K HA -0.292 4.027 4.320 -0.001 0.000 0.210 59 K C 2.237 178.734 176.600 -0.172 0.000 1.049 59 K CA 2.245 58.458 56.287 -0.123 0.000 0.927 59 K CB -0.535 31.933 32.500 -0.053 0.000 0.713 59 K HN 0.383 8.633 8.250 0.000 0.000 0.443 60 F N 1.461 121.239 119.950 -0.286 0.000 2.102 60 F HA -0.184 4.343 4.527 -0.001 0.000 0.298 60 F C 2.090 177.627 175.800 -0.438 0.000 1.105 60 F CA 1.504 59.326 58.000 -0.297 0.000 1.239 60 F CB -0.066 38.791 39.000 -0.239 0.000 0.991 60 F HN -0.042 8.258 8.300 0.000 0.000 0.474 61 R N -0.115 119.875 120.500 -0.850 0.000 2.081 61 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 61 R C 2.048 177.528 176.300 -1.366 0.000 1.131 61 R CA 1.433 56.723 56.100 -1.349 0.000 0.960 61 R CB -0.765 28.578 30.300 -1.594 0.000 0.856 61 R HN 0.291 8.561 8.270 0.000 0.000 0.436 62 L N 0.493 121.174 121.223 -0.904 0.000 2.083 62 L HA -0.105 4.235 4.340 -0.001 0.000 0.209 62 L C 2.133 178.779 176.870 -0.373 0.000 1.083 62 L CA 1.677 56.216 54.840 -0.503 0.000 0.752 62 L CB -0.633 41.265 42.059 -0.268 0.000 0.899 62 L HN 0.064 8.294 8.230 0.000 0.000 0.433 63 S N -1.536 113.917 115.700 -0.410 0.000 2.371 63 S HA -0.047 4.422 4.470 -0.001 0.000 0.221 63 S C 1.713 176.101 174.600 -0.354 0.000 1.036 63 S CA 0.696 58.712 58.200 -0.307 0.000 0.965 63 S CB 0.206 63.266 63.200 -0.233 0.000 0.845 63 S HN 0.448 8.758 8.310 0.000 0.000 0.475 64 Q N 0.640 120.091 119.800 -0.581 0.000 2.622 64 Q HA 0.222 4.562 4.340 -0.001 0.000 0.208 64 Q C 2.059 177.746 176.000 -0.521 0.000 0.911 64 Q CA 0.326 55.810 55.803 -0.531 0.000 0.893 64 Q CB -0.830 27.548 28.738 -0.599 0.000 1.124 64 Q HN 0.516 8.786 8.270 0.000 0.000 0.634 65 E N 0.943 120.663 120.200 -0.800 0.000 2.048 65 E HA -0.116 4.233 4.350 -0.001 0.000 0.202 65 E C -0.139 176.377 176.600 -0.140 0.000 1.021 65 E CA 0.629 56.754 56.400 -0.459 0.000 0.825 65 E CB -0.124 29.259 29.700 -0.530 0.000 0.756 65 E HN 0.130 8.491 8.360 0.000 0.000 0.454 66 F N 1.444 121.220 119.950 -0.291 0.000 2.543 66 F HA -0.029 4.497 4.527 -0.001 0.000 0.375 66 F C 1.153 176.829 175.800 -0.206 0.000 1.075 66 F CA -0.854 57.020 58.000 -0.210 0.000 1.225 66 F CB 0.596 39.455 39.000 -0.234 0.000 1.099 66 F HN 0.122 8.422 8.300 0.000 0.000 0.561 67 D N 2.144 122.537 120.400 -0.011 0.000 2.301 67 D HA 0.028 4.667 4.640 -0.001 0.000 0.206 67 D C 0.049 176.318 176.300 -0.052 0.000 0.979 67 D CA 1.043 54.945 54.000 -0.164 0.000 0.874 67 D CB 0.479 40.947 40.800 -0.553 0.000 0.968 67 D HN 0.607 8.977 8.370 0.000 0.000 0.510 68 E N 0.273 120.481 120.200 0.013 0.000 2.321 68 E HA 0.347 4.696 4.350 -0.001 0.000 0.281 68 E C -1.495 175.016 176.600 -0.149 0.000 0.910 68 E CA -0.661 55.711 56.400 -0.046 0.000 0.770 68 E CB 2.782 32.564 29.700 0.136 0.000 1.225 68 E HN -0.140 8.220 8.360 0.000 0.000 0.417 69 L N 3.257 124.305 121.223 -0.292 0.000 2.333 69 L HA 0.516 4.855 4.340 -0.001 0.000 0.280 69 L C -1.915 174.743 176.870 -0.354 0.000 1.004 69 L CA -0.414 54.295 54.840 -0.217 0.000 0.820 69 L CB 0.604 42.621 42.059 -0.071 0.000 1.247 69 L HN 0.437 8.667 8.230 0.000 0.000 0.416 70 Y N 2.156 122.486 120.300 0.048 0.000 2.468 70 Y HA 0.795 5.344 4.550 -0.001 0.000 0.342 70 Y C 0.411 176.332 175.900 0.034 0.000 1.021 70 Y CA -0.403 57.700 58.100 0.006 0.000 1.079 70 Y CB 2.427 40.862 38.460 -0.041 0.000 1.226 70 Y HN 0.705 8.985 8.280 0.000 0.000 0.460 71 T N -1.451 113.191 114.554 0.148 0.000 2.896 71 T HA 0.463 4.812 4.350 -0.001 0.000 0.297 71 T C -1.878 172.868 174.700 0.076 0.000 1.108 71 T CA -0.878 61.296 62.100 0.122 0.000 1.004 71 T CB 1.508 70.430 68.868 0.090 0.000 1.159 71 T HN 0.493 8.733 8.240 0.000 0.000 0.499 72 Y N 1.366 121.653 120.300 -0.023 0.000 2.331 72 Y HA 0.535 5.084 4.550 -0.001 0.000 0.338 72 Y C -0.019 175.830 175.900 -0.086 0.000 0.976 72 Y CA -0.434 57.626 58.100 -0.066 0.000 1.137 72 Y CB 1.237 39.656 38.460 -0.068 0.000 1.172 72 Y HN 0.721 9.001 8.280 0.000 0.000 0.478 73 Q N 5.159 124.769 119.800 -0.316 0.000 2.345 73 Q HA 0.410 4.749 4.340 -0.001 0.000 0.268 73 Q C -1.392 174.463 176.000 -0.242 0.000 1.054 73 Q CA -1.270 54.419 55.803 -0.189 0.000 0.835 73 Q CB 2.791 31.446 28.738 -0.138 0.000 1.339 73 Q HN 0.544 8.814 8.270 0.000 0.000 0.447 74 K N 2.008 122.333 120.400 -0.125 0.000 2.535 74 K HA 0.139 4.459 4.320 -0.001 0.000 0.253 74 K C -1.289 175.284 176.600 -0.044 0.000 0.953 74 K CA -0.341 55.900 56.287 -0.078 0.000 0.863 74 K CB 0.774 33.242 32.500 -0.054 0.000 1.111 74 K HN 0.546 8.796 8.250 0.000 0.000 0.431 75 D N 3.691 124.069 120.400 -0.037 0.000 2.697 75 D HA -0.218 4.421 4.640 -0.001 0.000 0.238 75 D C -0.744 175.546 176.300 -0.017 0.000 1.152 75 D CA 1.506 55.497 54.000 -0.016 0.000 0.666 75 D CB -1.350 39.456 40.800 0.010 0.000 1.037 75 D HN 1.040 9.410 8.370 0.000 0.000 0.423 76 N N -1.959 116.721 118.700 -0.033 0.000 2.741 76 N HA -0.297 4.442 4.740 -0.001 0.000 0.250 76 N C 0.008 175.511 175.510 -0.013 0.000 1.115 76 N CA 0.747 53.783 53.050 -0.024 0.000 0.724 76 N CB -0.377 38.104 38.487 -0.009 0.000 1.090 76 N HN 0.278 8.658 8.380 0.000 0.000 0.558 77 R N 0.857 121.343 120.500 -0.024 0.000 2.513 77 R HA 0.495 4.834 4.340 -0.001 0.000 0.301 77 R C -0.685 175.597 176.300 -0.029 0.000 0.968 77 R CA -0.507 55.586 56.100 -0.012 0.000 0.872 77 R CB 0.971 31.269 30.300 -0.004 0.000 1.177 77 R HN 0.135 8.405 8.270 0.000 0.000 0.444 78 I N 6.891 127.462 120.570 0.002 0.000 2.494 78 I HA 0.095 4.264 4.170 -0.001 0.000 0.289 78 I C 1.094 177.204 176.117 -0.013 0.000 1.106 78 I CA 0.423 61.731 61.300 0.013 0.000 1.369 78 I CB 0.406 38.443 38.000 0.061 0.000 1.410 78 I HN 0.689 8.899 8.210 0.000 0.000 0.523 79 I N 2.707 123.246 120.570 -0.052 0.000 4.050 79 I HA 0.595 4.764 4.170 -0.001 0.000 0.327 79 I C 0.412 176.486 176.117 -0.072 0.000 1.473 79 I CA -0.257 60.957 61.300 -0.143 0.000 1.124 79 I CB 0.529 38.211 38.000 -0.530 0.000 1.129 79 I HN 0.521 8.731 8.210 0.000 0.000 0.428 80 G N 1.058 109.871 108.800 0.021 0.000 2.655 80 G HA2 0.533 4.492 3.960 -0.001 0.000 0.296 80 G HA3 0.533 4.492 3.960 -0.001 0.000 0.296 80 G C -1.037 173.925 174.900 0.103 0.000 1.485 80 G CA -0.031 45.095 45.100 0.044 0.000 0.869 80 G HN 0.225 8.515 8.290 0.000 0.000 0.540 81 T N -1.466 113.149 114.554 0.102 0.000 2.883 81 T HA 0.841 5.190 4.350 -0.001 0.000 0.301 81 T C -0.954 173.904 174.700 0.263 0.000 1.158 81 T CA -0.854 61.346 62.100 0.168 0.000 1.007 81 T CB 2.178 71.096 68.868 0.083 0.000 1.186 81 T HN 1.355 9.595 8.240 0.000 0.000 0.499 82 I N 0.640 121.392 120.570 0.302 0.000 2.741 82 I HA 0.614 4.783 4.170 -0.001 0.000 0.288 82 I C -1.543 174.698 176.117 0.207 0.000 1.482 82 I CA -0.708 60.756 61.300 0.274 0.000 1.050 82 I CB 1.569 39.674 38.000 0.175 0.000 1.388 82 I HN 1.220 9.430 8.210 0.000 0.000 0.428 83 A N 7.680 130.534 122.820 0.057 0.000 2.374 83 A HA 0.917 5.236 4.320 -0.001 0.000 0.317 83 A C -1.649 175.912 177.584 -0.038 0.000 1.094 83 A CA -0.573 51.334 52.037 -0.218 0.000 0.765 83 A CB 1.536 19.828 19.000 -1.181 0.000 1.268 83 A HN 0.621 8.771 8.150 0.000 0.000 0.438 84 L N 1.602 122.857 121.223 0.053 0.000 2.346 84 L HA 0.666 5.005 4.340 -0.001 0.000 0.276 84 L C -1.052 175.929 176.870 0.184 0.000 1.006 84 L CA -0.982 53.980 54.840 0.203 0.000 0.817 84 L CB 2.003 44.283 42.059 0.368 0.000 1.272 84 L HN 0.399 8.629 8.230 0.000 0.000 0.421 85 V N 3.389 123.429 119.914 0.209 0.000 2.443 85 V HA 0.298 4.417 4.120 -0.001 0.000 0.293 85 V C -0.578 175.607 176.094 0.153 0.000 1.021 85 V CA -0.220 62.138 62.300 0.097 0.000 0.848 85 V CB 1.306 33.205 31.823 0.126 0.000 0.998 85 V HN 0.837 9.027 8.190 0.000 0.000 0.424 86 Y N 2.119 122.451 120.300 0.055 0.000 2.710 86 Y HA 0.467 5.017 4.550 -0.001 0.000 0.278 86 Y C 0.379 176.291 175.900 0.020 0.000 1.014 86 Y CA -0.992 57.131 58.100 0.039 0.000 1.227 86 Y CB 0.050 38.539 38.460 0.047 0.000 1.408 86 Y HN 0.322 8.602 8.280 0.000 0.000 0.580 87 K N 2.740 122.941 120.400 -0.332 0.000 2.262 87 K HA 0.306 4.625 4.320 -0.001 0.000 0.288 87 K C -0.403 176.150 176.600 -0.078 0.000 1.090 87 K CA -0.595 55.590 56.287 -0.170 0.000 0.918 87 K CB 0.449 32.795 32.500 -0.256 0.000 1.139 87 K HN 0.196 8.446 8.250 0.000 0.000 0.462 88 R N 2.356 122.845 120.500 -0.017 0.000 3.079 88 R HA -0.199 4.141 4.340 -0.001 0.000 0.254 88 R C 0.334 176.614 176.300 -0.034 0.000 0.900 88 R CA -0.078 56.011 56.100 -0.019 0.000 0.641 88 R CB -1.829 28.458 30.300 -0.023 0.000 1.307 88 R HN 0.648 8.918 8.270 0.000 0.000 0.477 89 I N 0.831 121.381 120.570 -0.034 0.000 2.264 89 I HA -0.317 3.853 4.170 -0.001 0.000 0.248 89 I C 2.411 178.487 176.117 -0.069 0.000 1.111 89 I CA 1.828 63.091 61.300 -0.062 0.000 1.382 89 I CB -0.263 37.688 38.000 -0.081 0.000 1.060 89 I HN 0.447 8.657 8.210 0.000 0.000 0.418 90 K N 0.649 121.017 120.400 -0.053 0.000 2.286 90 K HA -0.222 4.097 4.320 -0.001 0.000 0.203 90 K C 0.845 177.423 176.600 -0.035 0.000 1.045 90 K CA 1.607 57.866 56.287 -0.047 0.000 0.935 90 K CB 0.074 32.554 32.500 -0.032 0.000 0.737 90 K HN 0.334 8.584 8.250 0.000 0.000 0.460 91 E N -0.762 119.420 120.200 -0.030 0.000 2.624 91 E HA 0.083 4.433 4.350 -0.001 0.000 0.210 91 E C 0.621 177.215 176.600 -0.009 0.000 0.997 91 E CA -0.146 56.244 56.400 -0.018 0.000 0.999 91 E CB 0.921 30.612 29.700 -0.015 0.000 1.040 91 E HN 0.036 8.396 8.360 0.000 0.000 0.469 92 K N -0.275 120.113 120.400 -0.019 0.000 2.305 92 K HA 0.095 4.414 4.320 -0.001 0.000 0.199 92 K C 1.180 177.812 176.600 0.053 0.000 1.047 92 K CA 0.830 57.119 56.287 0.003 0.000 0.976 92 K CB 0.129 32.613 32.500 -0.028 0.000 0.765 92 K HN 0.303 8.553 8.250 0.000 0.000 0.474 93 G N 2.271 111.086 108.800 0.024 0.000 2.179 93 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.257 93 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.257 93 G C 0.127 175.086 174.900 0.097 0.000 1.010 93 G CA 0.096 45.232 45.100 0.060 0.000 0.736 93 G HN 0.288 8.578 8.290 0.000 0.000 0.513 94 I N 1.582 122.146 120.570 -0.011 0.000 2.578 94 I HA -0.008 4.162 4.170 -0.001 0.000 0.286 94 I C 2.043 178.069 176.117 -0.151 0.000 1.126 94 I CA -0.238 61.004 61.300 -0.097 0.000 1.380 94 I CB 0.187 37.940 38.000 -0.412 0.000 1.408 94 I HN 0.466 8.676 8.210 0.000 0.000 0.532 95 W N 8.180 129.546 121.300 0.110 0.000 2.308 95 W HA -0.208 4.451 4.660 -0.001 0.000 0.301 95 W C 1.524 178.154 176.519 0.184 0.000 1.220 95 W CA 1.235 58.712 57.345 0.220 0.000 1.240 95 W CB -0.957 28.778 29.460 0.459 0.000 1.142 95 W HN 0.756 8.936 8.180 0.000 0.000 0.521 96 W N 1.362 122.172 121.300 -0.816 0.000 3.077 96 W HA 0.405 5.064 4.660 -0.001 0.000 0.266 96 W C -0.069 176.273 176.519 -0.295 0.000 1.300 96 W CA -0.450 56.448 57.345 -0.746 0.000 1.586 96 W CB -1.309 27.420 29.460 -1.219 0.000 1.103 96 W HN -0.371 7.809 8.180 0.000 0.000 0.652 97 V N 6.274 125.749 119.914 -0.731 0.000 2.421 97 V HA 0.058 4.178 4.120 -0.001 0.000 0.271 97 V C -0.887 175.072 176.094 -0.225 0.000 1.031 97 V CA -0.966 60.998 62.300 -0.560 0.000 1.032 97 V CB -0.171 31.226 31.823 -0.711 0.000 1.009 97 V HN -0.114 8.076 8.190 0.000 0.000 0.477 98 P HA 0.154 4.574 4.420 0.000 0.000 0.276 98 P C 0.802 178.057 177.300 -0.075 0.000 1.261 98 P CA -0.391 62.677 63.100 -0.053 0.000 0.800 98 P CB 1.008 32.704 31.700 -0.006 0.000 1.066 99 E N 1.272 121.447 120.200 -0.041 0.000 2.160 99 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 99 E C 1.058 177.628 176.600 -0.050 0.000 0.991 99 E CA 1.678 58.054 56.400 -0.041 0.000 0.810 99 E CB -0.248 29.441 29.700 -0.017 0.000 0.742 99 E HN 0.435 8.795 8.360 0.000 0.000 0.466 100 E N 0.344 120.518 120.200 -0.044 0.000 2.268 100 E HA 0.059 4.408 4.350 -0.001 0.000 0.195 100 E C 0.730 177.273 176.600 -0.095 0.000 0.995 100 E CA 0.434 56.807 56.400 -0.044 0.000 0.836 100 E CB 0.094 29.784 29.700 -0.017 0.000 0.763 100 E HN 0.261 8.621 8.360 0.000 0.000 0.491 104 E N -0.023 120.184 120.200 0.013 0.000 2.209 104 E HA -0.073 4.276 4.350 -0.001 0.000 0.196 104 E C 0.373 176.999 176.600 0.044 0.000 0.993 104 E CA 1.497 57.915 56.400 0.030 0.000 0.819 104 E CB 0.089 29.804 29.700 0.025 0.000 0.745 104 E HN 0.528 8.888 8.360 0.000 0.000 0.477 105 K N -0.384 120.044 120.400 0.046 0.000 2.417 105 K HA 0.126 4.445 4.320 -0.001 0.000 0.196 105 K C -0.532 176.139 176.600 0.119 0.000 1.023 105 K CA -0.104 56.224 56.287 0.068 0.000 1.122 105 K CB 0.850 33.390 32.500 0.067 0.000 0.850 105 K HN -0.036 8.214 8.250 0.000 0.000 0.521 106 V N 1.051 121.021 119.914 0.092 0.000 2.465 106 V HA 0.358 4.478 4.120 -0.001 0.000 0.279 106 V C 0.461 176.652 176.094 0.162 0.000 1.045 106 V CA -0.700 61.666 62.300 0.111 0.000 0.938 106 V CB 1.413 33.177 31.823 -0.098 0.000 0.986 106 V HN 0.257 8.447 8.190 0.000 0.000 0.467 107 G N 4.794 113.755 108.800 0.269 0.000 2.666 107 G HA2 0.636 4.596 3.960 -0.001 0.000 0.303 107 G HA3 0.636 4.596 3.960 -0.001 0.000 0.303 107 G C -1.522 173.551 174.900 0.289 0.000 1.412 107 G CA -0.509 44.737 45.100 0.244 0.000 0.979 107 G HN 0.400 8.690 8.290 0.000 0.000 0.507 108 L N 2.292 123.671 121.223 0.260 0.000 2.295 108 L HA 0.575 4.915 4.340 -0.001 0.000 0.285 108 L C 0.155 177.176 176.870 0.252 0.000 1.035 108 L CA -0.848 54.167 54.840 0.291 0.000 0.806 108 L CB 1.495 43.717 42.059 0.272 0.000 1.214 108 L HN 0.395 8.625 8.230 0.000 0.000 0.426 109 I N 3.518 124.228 120.570 0.233 0.000 2.404 109 I HA 0.500 4.669 4.170 -0.001 0.000 0.293 109 I C -0.129 176.109 176.117 0.202 0.000 0.992 109 I CA -0.304 61.090 61.300 0.155 0.000 1.149 109 I CB 1.667 39.698 38.000 0.052 0.000 1.315 109 I HN 0.768 8.978 8.210 0.000 0.000 0.446 110 E N 4.804 125.129 120.200 0.207 0.000 2.415 110 E HA 0.320 4.670 4.350 -0.001 0.000 0.271 110 E C -0.294 176.524 176.600 0.362 0.000 1.094 110 E CA -0.911 55.675 56.400 0.309 0.000 0.881 110 E CB 1.333 31.294 29.700 0.435 0.000 1.581 110 E HN 0.432 8.792 8.360 0.000 0.000 0.460 111 F N 0.271 120.373 119.950 0.255 0.000 3.067 111 F HA -0.234 4.293 4.527 -0.001 0.000 0.279 111 F C -0.998 174.949 175.800 0.245 0.000 0.945 111 F CA 0.246 58.393 58.000 0.246 0.000 0.948 111 F CB -0.702 38.331 39.000 0.055 0.000 0.898 111 F HN 0.483 8.783 8.300 0.000 0.000 0.746 112 F N 2.146 122.139 119.950 0.072 0.000 2.350 112 F HA 0.610 5.137 4.527 -0.001 0.000 0.365 112 F C -0.590 175.162 175.800 -0.081 0.000 1.122 112 F CA -0.687 57.311 58.000 -0.004 0.000 1.139 112 F CB 0.771 39.776 39.000 0.009 0.000 1.220 112 F HN -0.117 8.183 8.300 0.000 0.000 0.499 113 V N 6.100 125.880 119.914 -0.223 0.000 3.206 113 V HA 0.680 4.799 4.120 -0.001 0.000 0.305 113 V C -1.549 174.367 176.094 -0.296 0.000 1.257 113 V CA -0.596 61.472 62.300 -0.387 0.000 1.057 113 V CB 2.821 34.485 31.823 -0.265 0.000 1.075 113 V HN 0.421 8.611 8.190 0.000 0.000 0.443 114 V N 1.981 121.735 119.914 -0.265 0.000 2.808 114 V HA 0.403 4.522 4.120 -0.001 0.000 0.308 114 V C -0.709 175.336 176.094 -0.082 0.000 1.099 114 V CA -0.791 61.414 62.300 -0.158 0.000 0.920 114 V CB 1.953 33.671 31.823 -0.175 0.000 1.014 114 V HN 0.964 9.154 8.190 0.000 0.000 0.425 115 D N 6.462 126.855 120.400 -0.011 0.000 2.531 115 D HA 0.028 4.668 4.640 -0.001 0.000 0.239 115 D C -1.212 175.144 176.300 0.093 0.000 1.144 115 D CA -0.915 53.130 54.000 0.074 0.000 0.869 115 D CB 1.911 42.821 40.800 0.183 0.000 1.160 115 D HN 0.308 8.678 8.370 0.000 0.000 0.484 116 P HA -0.187 4.233 4.420 0.000 0.000 0.222 116 P C 0.724 178.016 177.300 -0.014 0.000 1.142 116 P CA 1.102 64.195 63.100 -0.012 0.000 0.788 116 P CB 0.264 31.937 31.700 -0.044 0.000 0.767 117 E N -1.012 119.201 120.200 0.022 0.000 2.474 117 E HA 0.027 4.376 4.350 -0.001 0.000 0.195 117 E C 0.363 176.767 176.600 -0.327 0.000 1.039 117 E CA 0.086 56.404 56.400 -0.136 0.000 0.881 117 E CB -0.618 28.983 29.700 -0.166 0.000 0.970 117 E HN 0.136 8.496 8.360 0.000 0.000 0.486 118 F N 1.117 121.035 119.950 -0.054 0.000 2.835 118 F HA 0.349 4.876 4.527 -0.001 0.000 0.342 118 F C 0.153 175.902 175.800 -0.084 0.000 1.202 118 F CA -0.678 57.286 58.000 -0.060 0.000 1.240 118 F CB 0.419 39.386 39.000 -0.056 0.000 1.005 118 F HN -0.097 8.203 8.300 0.000 0.000 0.507 119 Q N -0.145 119.671 119.800 0.026 0.000 2.417 119 Q HA 0.412 4.751 4.340 -0.001 0.000 0.241 119 Q C 1.312 177.296 176.000 -0.026 0.000 1.008 119 Q CA 0.479 56.271 55.803 -0.019 0.000 0.901 119 Q CB 0.752 29.461 28.738 -0.048 0.000 1.259 119 Q HN 0.516 8.786 8.270 0.000 0.000 0.489 120 G N 1.120 109.899 108.800 -0.035 0.000 2.258 120 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.274 120 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.274 120 G C 0.425 175.312 174.900 -0.022 0.000 1.021 120 G CA 0.344 45.426 45.100 -0.030 0.000 0.798 120 G HN 0.462 8.752 8.290 0.000 0.000 0.507 121 K N -0.564 119.825 120.400 -0.018 0.000 2.358 121 K HA 0.351 4.670 4.320 -0.001 0.000 0.200 121 K C 1.816 178.392 176.600 -0.040 0.000 1.030 121 K CA 0.629 56.911 56.287 -0.008 0.000 1.097 121 K CB 0.645 33.171 32.500 0.043 0.000 0.862 121 K HN 1.329 9.579 8.250 0.000 0.000 0.534 122 G N 1.751 110.519 108.800 -0.052 0.000 2.176 122 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.253 122 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.253 122 G C 0.987 175.815 174.900 -0.121 0.000 0.979 122 G CA 0.380 45.445 45.100 -0.058 0.000 0.641 122 G HN 0.283 8.573 8.290 0.000 0.000 0.530 123 I N 0.996 121.441 120.570 -0.209 0.000 2.202 123 I HA 0.002 4.171 4.170 -0.001 0.000 0.242 123 I C 3.002 179.041 176.117 -0.129 0.000 1.091 123 I CA 1.637 62.706 61.300 -0.385 0.000 1.368 123 I CB -0.570 37.129 38.000 -0.502 0.000 1.058 123 I HN 0.249 8.459 8.210 0.000 0.000 0.410 124 G N 0.269 109.060 108.800 -0.016 0.000 2.446 124 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 124 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 124 G C 1.763 176.811 174.900 0.248 0.000 1.168 124 G CA 1.032 46.259 45.100 0.212 0.000 0.771 124 G HN 0.361 8.651 8.290 0.000 0.000 0.551 125 S N 0.265 116.025 115.700 0.100 0.000 2.370 125 S HA -0.132 4.337 4.470 -0.001 0.000 0.226 125 S C 2.516 177.138 174.600 0.036 0.000 1.033 125 S CA 1.749 59.983 58.200 0.058 0.000 1.011 125 S CB -0.516 62.698 63.200 0.024 0.000 0.852 125 S HN 0.447 8.757 8.310 0.000 0.000 0.457 126 T N 2.798 117.371 114.554 0.032 0.000 2.708 126 T HA 0.041 4.390 4.350 -0.001 0.000 0.266 126 T C 1.765 176.515 174.700 0.083 0.000 1.037 126 T CA 0.942 63.078 62.100 0.060 0.000 1.146 126 T CB -0.413 68.497 68.868 0.070 0.000 0.865 126 T HN 0.218 8.458 8.240 0.000 0.000 0.435 127 L N 0.202 121.472 121.223 0.078 0.000 1.976 127 L HA -0.074 4.266 4.340 -0.001 0.000 0.209 127 L C 2.483 179.316 176.870 -0.061 0.000 1.071 127 L CA 0.941 55.817 54.840 0.060 0.000 0.746 127 L CB -0.609 41.552 42.059 0.169 0.000 0.890 127 L HN 0.212 8.442 8.230 0.000 0.000 0.432 128 L N 0.357 121.442 121.223 -0.230 0.000 1.990 128 L HA -0.286 4.053 4.340 -0.001 0.000 0.213 128 L C 2.559 179.331 176.870 -0.164 0.000 1.072 128 L CA 2.066 56.678 54.840 -0.380 0.000 0.755 128 L CB -0.694 41.122 42.059 -0.405 0.000 0.889 128 L HN 0.343 8.573 8.230 0.000 0.000 0.432 129 E N -1.394 118.762 120.200 -0.073 0.000 2.058 129 E HA -0.327 4.022 4.350 -0.001 0.000 0.194 129 E C 2.263 178.836 176.600 -0.045 0.000 0.997 129 E CA 1.735 58.106 56.400 -0.049 0.000 0.801 129 E CB -0.463 29.230 29.700 -0.011 0.000 0.746 129 E HN 0.499 8.859 8.360 0.000 0.000 0.450 130 F N 1.073 120.935 119.950 -0.147 0.000 2.095 130 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 130 F C 2.157 177.808 175.800 -0.248 0.000 1.104 130 F CA 1.780 59.664 58.000 -0.194 0.000 1.232 130 F CB -0.498 38.372 39.000 -0.217 0.000 0.987 130 F HN 0.128 8.428 8.300 0.000 0.000 0.475 131 A N -0.302 122.513 122.820 -0.008 0.000 1.902 131 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 131 A C 2.305 179.803 177.584 -0.144 0.000 1.181 131 A CA 1.934 53.924 52.037 -0.078 0.000 0.623 131 A CB -1.377 17.582 19.000 -0.069 0.000 0.818 131 A HN 0.269 8.419 8.150 0.000 0.000 0.443 132 V N 0.007 119.831 119.914 -0.149 0.000 2.295 132 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 132 V C 2.493 178.485 176.094 -0.170 0.000 1.049 132 V CA 2.437 64.653 62.300 -0.140 0.000 1.024 132 V CB -0.631 31.115 31.823 -0.128 0.000 0.648 132 V HN 0.546 8.736 8.190 0.000 0.000 0.447 133 K N -0.380 119.886 120.400 -0.222 0.000 2.097 133 K HA -0.194 4.125 4.320 -0.001 0.000 0.205 133 K C 2.358 178.773 176.600 -0.308 0.000 1.050 133 K CA 1.299 57.434 56.287 -0.255 0.000 0.938 133 K CB -0.198 32.131 32.500 -0.286 0.000 0.718 133 K HN 0.182 8.432 8.250 0.000 0.000 0.442 134 R N 1.615 121.863 120.500 -0.420 0.000 2.080 134 R HA -0.090 4.250 4.340 -0.001 0.000 0.236 134 R C 1.918 178.068 176.300 -0.250 0.000 1.137 134 R CA 1.507 57.377 56.100 -0.384 0.000 0.943 134 R CB -0.816 29.239 30.300 -0.408 0.000 0.846 134 R HN 0.140 8.410 8.270 0.000 0.000 0.431 135 L N 0.002 121.109 121.223 -0.195 0.000 2.012 135 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 135 L C 2.733 179.507 176.870 -0.160 0.000 1.073 135 L CA 1.886 56.624 54.840 -0.169 0.000 0.748 135 L CB -0.434 41.579 42.059 -0.077 0.000 0.891 135 L HN 0.246 8.476 8.230 0.000 0.000 0.431 136 R N -0.056 120.358 120.500 -0.143 0.000 2.083 136 R HA -0.178 4.162 4.340 -0.001 0.000 0.237 136 R C 2.487 178.712 176.300 -0.125 0.000 1.137 136 R CA 1.836 57.865 56.100 -0.119 0.000 0.951 136 R CB -0.512 29.719 30.300 -0.116 0.000 0.851 136 R HN 0.475 8.745 8.270 0.000 0.000 0.434 137 S N 0.404 116.012 115.700 -0.153 0.000 2.500 137 S HA -0.052 4.418 4.470 -0.001 0.000 0.239 137 S C 1.601 176.119 174.600 -0.137 0.000 0.989 137 S CA 0.828 58.945 58.200 -0.138 0.000 0.951 137 S CB -0.126 62.980 63.200 -0.156 0.000 0.759 137 S HN 0.275 8.585 8.310 0.000 0.000 0.523 138 L N 0.626 121.745 121.223 -0.172 0.000 2.667 138 L HA 0.373 4.713 4.340 -0.001 0.000 0.232 138 L C 1.602 178.396 176.870 -0.127 0.000 1.138 138 L CA 0.196 54.918 54.840 -0.195 0.000 0.921 138 L CB -0.448 41.378 42.059 -0.389 0.000 1.180 138 L HN 0.535 8.765 8.230 0.000 0.000 0.487 139 G N 0.702 109.446 108.800 -0.094 0.000 2.160 139 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.251 139 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.251 139 G C 0.088 174.968 174.900 -0.034 0.000 1.008 139 G CA 0.125 45.193 45.100 -0.054 0.000 0.724 139 G HN 0.225 8.515 8.290 0.000 0.000 0.514 140 K N 0.419 120.792 120.400 -0.046 0.000 2.208 140 K HA 0.548 4.868 4.320 -0.001 0.000 0.247 140 K C -0.731 175.879 176.600 0.016 0.000 0.953 140 K CA -0.867 55.423 56.287 0.006 0.000 0.837 140 K CB 1.574 34.081 32.500 0.012 0.000 1.131 140 K HN 0.113 8.363 8.250 0.000 0.000 0.431 141 D N 2.379 122.827 120.400 0.079 0.000 2.177 141 D HA 0.307 4.947 4.640 -0.001 0.000 0.247 141 D C -2.389 173.944 176.300 0.054 0.000 1.063 141 D CA -1.530 52.486 54.000 0.028 0.000 0.867 141 D CB 1.484 42.303 40.800 0.031 0.000 1.168 141 D HN -0.009 8.361 8.370 0.000 0.000 0.445 142 P HA 0.194 4.614 4.420 0.000 0.000 0.276 142 P C -1.063 176.141 177.300 -0.159 0.000 1.243 142 P CA 0.108 63.185 63.100 -0.038 0.000 0.768 142 P CB 0.252 31.903 31.700 -0.082 0.000 0.856 143 Y N 1.380 121.721 120.300 0.070 0.000 2.512 143 Y HA 0.572 5.122 4.550 -0.001 0.000 0.348 143 Y C 0.360 176.330 175.900 0.117 0.000 0.990 143 Y CA -0.758 57.402 58.100 0.099 0.000 1.033 143 Y CB 2.103 40.661 38.460 0.163 0.000 1.259 143 Y HN 0.182 8.462 8.280 0.000 0.000 0.461 144 V N -0.077 119.947 119.914 0.184 0.000 3.159 144 V HA 0.853 4.972 4.120 -0.001 0.000 0.308 144 V C -1.674 174.238 176.094 -0.302 0.000 1.190 144 V CA -0.970 61.327 62.300 -0.005 0.000 1.037 144 V CB 1.567 33.365 31.823 -0.043 0.000 1.060 144 V HN 0.559 8.749 8.190 0.000 0.000 0.437 145 V N 1.836 121.341 119.914 -0.681 0.000 2.769 145 V HA 0.965 5.084 4.120 -0.001 0.000 0.312 145 V C -0.038 175.541 176.094 -0.860 0.000 1.061 145 V CA 0.713 62.379 62.300 -1.057 0.000 0.931 145 V CB 2.247 32.754 31.823 -2.193 0.000 1.010 145 V HN 1.609 9.799 8.190 0.000 0.000 0.433 146 T N 2.514 116.571 114.554 -0.829 0.000 2.883 146 T HA 0.694 5.043 4.350 -0.001 0.000 0.301 146 T C -1.245 173.001 174.700 -0.756 0.000 1.158 146 T CA -0.446 61.213 62.100 -0.735 0.000 1.007 146 T CB 1.619 70.309 68.868 -0.297 0.000 1.186 146 T HN 0.366 8.606 8.240 0.000 0.000 0.499 147 F N 2.456 122.439 119.950 0.056 0.000 2.359 147 F HA 0.419 4.945 4.527 -0.001 0.000 0.369 147 F C -1.404 174.447 175.800 0.086 0.000 1.084 147 F CA -2.576 55.474 58.000 0.083 0.000 1.096 147 F CB 1.486 40.556 39.000 0.116 0.000 1.335 147 F HN 0.385 8.685 8.300 0.000 0.000 0.457 148 P HA -0.215 4.205 4.420 0.000 0.000 0.219 148 P C 1.065 178.468 177.300 0.172 0.000 1.146 148 P CA 1.383 64.573 63.100 0.150 0.000 0.808 148 P CB 0.153 31.919 31.700 0.109 0.000 0.779 149 N N 0.583 119.401 118.700 0.195 0.000 2.609 149 N HA -0.091 4.648 4.740 -0.001 0.000 0.190 149 N C 1.298 176.924 175.510 0.194 0.000 1.157 149 N CA 0.521 53.682 53.050 0.185 0.000 0.918 149 N CB -0.689 37.898 38.487 0.166 0.000 0.978 149 N HN 0.277 8.657 8.380 0.000 0.000 0.448 150 L N 0.044 121.360 121.223 0.155 0.000 2.607 150 L HA 0.166 4.505 4.340 -0.001 0.000 0.228 150 L C 1.014 177.899 176.870 0.026 0.000 1.123 150 L CA -0.181 54.666 54.840 0.012 0.000 0.890 150 L CB -0.217 41.805 42.059 -0.061 0.000 1.103 150 L HN 0.122 8.352 8.230 0.000 0.000 0.468 151 E N 1.554 121.828 120.200 0.125 0.000 2.452 151 E HA -0.072 4.277 4.350 -0.001 0.000 0.261 151 E C 1.028 177.707 176.600 0.131 0.000 0.987 151 E CA 0.569 57.048 56.400 0.132 0.000 0.926 151 E CB 1.427 31.222 29.700 0.158 0.000 0.934 151 E HN 0.247 8.607 8.360 0.000 0.000 0.452 152 A N 5.528 128.396 122.820 0.080 0.000 1.881 152 A HA -0.270 4.049 4.320 -0.001 0.000 0.219 152 A C 1.856 179.422 177.584 -0.030 0.000 1.215 152 A CA 2.032 54.067 52.037 -0.004 0.000 0.648 152 A CB -0.981 17.959 19.000 -0.100 0.000 0.832 152 A HN 0.825 8.975 8.150 0.000 0.000 0.455 153 Y N -0.459 119.838 120.300 -0.004 0.000 2.163 153 Y HA -0.140 4.409 4.550 -0.001 0.000 0.288 153 Y C 3.246 179.169 175.900 0.037 0.000 1.136 153 Y CA 1.660 59.692 58.100 -0.113 0.000 1.147 153 Y CB -0.524 37.906 38.460 -0.050 0.000 0.987 153 Y HN 0.365 8.645 8.280 0.000 0.000 0.509 154 S N -0.820 115.085 115.700 0.340 0.000 2.359 154 S HA -0.299 4.170 4.470 -0.001 0.000 0.224 154 S C 1.997 176.768 174.600 0.285 0.000 1.035 154 S CA 1.523 59.926 58.200 0.338 0.000 1.018 154 S CB -0.764 62.599 63.200 0.272 0.000 0.876 154 S HN 0.533 8.843 8.310 0.000 0.000 0.448 155 Y N 0.559 120.922 120.300 0.105 0.000 2.128 155 Y HA -0.212 4.337 4.550 -0.001 0.000 0.284 155 Y C 2.149 178.084 175.900 0.059 0.000 1.154 155 Y CA 2.167 60.298 58.100 0.052 0.000 1.149 155 Y CB -0.936 37.517 38.460 -0.012 0.000 0.976 155 Y HN 0.468 8.748 8.280 0.000 0.000 0.505 156 Y N -0.381 119.909 120.300 -0.017 0.000 2.114 156 Y HA -0.222 4.328 4.550 -0.001 0.000 0.284 156 Y C 0.888 176.752 175.900 -0.061 0.000 1.143 156 Y CA 1.291 59.303 58.100 -0.147 0.000 1.135 156 Y CB -0.896 37.373 38.460 -0.319 0.000 0.980 156 Y HN 0.031 8.311 8.280 0.000 0.000 0.499 160 K N 0.765 121.242 120.400 0.128 0.000 2.501 160 K HA 0.300 4.619 4.320 -0.001 0.000 0.204 160 K C 0.797 177.770 176.600 0.622 0.000 1.067 160 K CA 0.776 57.255 56.287 0.320 0.000 1.060 160 K CB 1.258 33.936 32.500 0.297 0.000 0.873 160 K HN 0.502 8.752 8.250 0.000 0.000 0.540 161 G N -0.118 108.932 108.800 0.416 0.000 2.195 161 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.224 161 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.224 161 G C -0.165 174.726 174.900 -0.014 0.000 0.990 161 G CA -0.416 44.828 45.100 0.240 0.000 0.639 161 G HN 0.137 8.427 8.290 0.000 0.000 0.514 162 F N 1.304 121.348 119.950 0.156 0.000 2.379 162 F HA 0.788 5.315 4.527 -0.001 0.000 0.332 162 F C 1.153 176.983 175.800 0.051 0.000 1.096 162 F CA -0.343 57.721 58.000 0.107 0.000 1.105 162 F CB 1.054 40.142 39.000 0.147 0.000 1.189 162 F HN -0.071 8.229 8.300 0.000 0.000 0.515 163 R N 0.892 121.501 120.500 0.180 0.000 2.744 163 R HA 0.255 4.594 4.340 -0.001 0.000 0.279 163 R C -0.985 175.393 176.300 0.130 0.000 0.977 163 R CA -1.116 55.051 56.100 0.113 0.000 0.906 163 R CB 2.334 32.651 30.300 0.028 0.000 1.197 163 R HN 0.659 8.929 8.270 0.000 0.000 0.463 164 E N 2.845 123.114 120.200 0.115 0.000 2.344 164 E HA 0.130 4.479 4.350 -0.001 0.000 0.270 164 E C -0.355 176.297 176.600 0.088 0.000 1.021 164 E CA -0.096 56.373 56.400 0.114 0.000 0.887 164 E CB 0.581 30.347 29.700 0.111 0.000 0.997 164 E HN 0.227 8.587 8.360 0.000 0.000 0.429 168 Y N 2.215 122.595 120.300 0.134 0.000 2.497 168 Y HA 0.477 5.026 4.550 -0.001 0.000 0.334 168 Y C 0.642 176.673 175.900 0.219 0.000 1.199 168 Y CA -0.407 57.777 58.100 0.141 0.000 1.425 168 Y CB 0.527 39.059 38.460 0.119 0.000 1.291 168 Y HN 0.310 8.590 8.280 0.000 0.000 0.562 169 K N 1.187 121.480 120.400 -0.178 0.000 1.595 169 K HA -0.256 4.063 4.320 -0.001 0.000 0.597 169 K C 0.510 176.907 176.600 -0.338 0.000 1.876 169 K CA 1.721 57.825 56.287 -0.306 0.000 0.933 169 K CB -0.946 31.297 32.500 -0.429 0.000 1.604 169 K HN 0.899 9.149 8.250 0.000 0.000 0.626 170 E N 0.399 120.169 120.200 -0.716 0.000 2.485 170 E HA 0.064 4.413 4.350 -0.001 0.000 0.194 170 E C -0.219 175.920 176.600 -0.768 0.000 1.098 170 E CA 0.345 56.312 56.400 -0.722 0.000 0.878 170 E CB -0.317 28.924 29.700 -0.766 0.000 0.939 170 E HN 0.191 8.551 8.360 0.000 0.000 0.503 171 F N -0.621 119.280 119.950 -0.082 0.000 2.575 171 F HA 0.455 4.981 4.527 -0.001 0.000 0.330 171 F C 0.060 175.898 175.800 0.063 0.000 1.056 171 F CA -1.503 56.494 58.000 -0.005 0.000 0.964 171 F CB 1.060 40.062 39.000 0.002 0.000 1.258 171 F HN -0.413 7.887 8.300 0.000 0.000 0.484 172 V N 3.083 123.170 119.914 0.290 0.000 2.357 172 V HA 0.334 4.453 4.120 -0.001 0.000 0.281 172 V C -0.485 175.731 176.094 0.203 0.000 1.015 172 V CA -0.528 61.905 62.300 0.221 0.000 0.827 172 V CB 0.981 32.909 31.823 0.175 0.000 1.018 172 V HN 0.497 8.687 8.190 0.000 0.000 0.432 173 I N 5.952 126.639 120.570 0.196 0.000 2.496 173 I HA 0.326 4.495 4.170 -0.001 0.000 0.285 173 I C 0.031 176.222 176.117 0.123 0.000 1.080 173 I CA 0.537 61.918 61.300 0.136 0.000 1.404 173 I CB 0.661 38.727 38.000 0.110 0.000 1.403 173 I HN 0.370 8.580 8.210 0.000 0.000 0.539 174 L N 6.225 127.515 121.223 0.111 0.000 2.342 174 L HA 0.632 4.972 4.340 -0.001 0.000 0.271 174 L C -0.248 176.771 176.870 0.249 0.000 1.008 174 L CA -0.916 54.027 54.840 0.172 0.000 0.818 174 L CB 1.737 43.900 42.059 0.172 0.000 1.296 174 L HN 0.507 8.737 8.230 0.000 0.000 0.427 175 K N 1.642 122.197 120.400 0.258 0.000 2.378 175 K HA 0.413 4.732 4.320 -0.001 0.000 0.252 175 K C -1.157 175.440 176.600 -0.004 0.000 0.931 175 K CA -0.656 55.738 56.287 0.178 0.000 0.794 175 K CB 1.864 34.402 32.500 0.064 0.000 1.181 175 K HN 0.371 8.621 8.250 0.000 0.000 0.425 176 F N 3.155 122.801 119.950 -0.507 0.000 2.518 176 F HA 0.212 4.739 4.527 -0.001 0.000 0.359 176 F C -0.341 175.217 175.800 -0.403 0.000 1.118 176 F CA 0.315 57.716 58.000 -0.999 0.000 1.287 176 F CB 0.580 38.907 39.000 -1.120 0.000 1.132 176 F HN 0.627 8.927 8.300 0.000 0.000 0.587 177 N N 3.269 121.186 118.700 -1.306 0.000 2.491 177 N HA 0.154 4.894 4.740 -0.001 0.000 0.274 177 N C 0.372 175.232 175.510 -1.084 0.000 1.023 177 N CA -0.442 52.112 53.050 -0.828 0.000 0.902 177 N CB 0.562 38.796 38.487 -0.422 0.000 1.267 177 N HN 0.678 9.058 8.380 0.000 0.000 0.503 178 H N 3.666 122.300 119.070 -0.727 0.000 2.353 178 H HA -0.086 4.469 4.556 -0.001 0.000 0.300 178 H C 1.495 176.759 175.328 -0.106 0.000 1.090 178 H CA 2.189 58.071 56.048 -0.277 0.000 1.327 178 H CB 0.519 30.291 29.762 0.016 0.000 1.383 178 H HN 0.625 8.905 8.280 0.000 0.000 0.508 179 K N 0.013 120.304 120.400 -0.182 0.000 2.217 179 K HA -0.111 4.208 4.320 -0.001 0.000 0.202 179 K C 2.087 178.589 176.600 -0.164 0.000 1.051 179 K CA 1.446 57.621 56.287 -0.187 0.000 0.952 179 K CB 0.070 32.503 32.500 -0.112 0.000 0.736 179 K HN 0.102 8.352 8.250 0.000 0.000 0.453 180 K N 1.340 121.632 120.400 -0.181 0.000 2.062 180 K HA -0.097 4.222 4.320 -0.001 0.000 0.205 180 K C 1.844 178.385 176.600 -0.098 0.000 1.051 180 K CA 0.850 57.050 56.287 -0.144 0.000 0.941 180 K CB -0.539 31.861 32.500 -0.167 0.000 0.719 180 K HN 0.171 8.421 8.250 0.000 0.000 0.440 181 F N 2.012 121.802 119.950 -0.268 0.000 2.069 181 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 181 F C 1.894 177.653 175.800 -0.068 0.000 1.113 181 F CA 2.003 59.942 58.000 -0.102 0.000 1.214 181 F CB -0.402 38.638 39.000 0.067 0.000 0.978 181 F HN 0.165 8.465 8.300 0.000 0.000 0.474 182 Q N -0.274 119.447 119.800 -0.132 0.000 2.291 182 Q HA -0.165 4.174 4.340 -0.001 0.000 0.205 182 Q C 2.062 177.936 176.000 -0.209 0.000 0.970 182 Q CA 1.063 56.731 55.803 -0.223 0.000 0.876 182 Q CB -0.382 28.248 28.738 -0.180 0.000 0.935 182 Q HN 0.420 8.690 8.270 0.000 0.000 0.455 183 L N 1.718 122.837 121.223 -0.174 0.000 2.353 183 L HA -0.122 4.217 4.340 -0.001 0.000 0.220 183 L C 0.925 177.709 176.870 -0.144 0.000 1.133 183 L CA 0.966 55.724 54.840 -0.136 0.000 0.798 183 L CB -0.424 41.569 42.059 -0.110 0.000 0.922 183 L HN 0.175 8.405 8.230 0.000 0.000 0.445 184 E N 0.000 120.079 120.200 -0.201 0.000 2.725 184 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 184 E CA 0.000 56.285 56.400 -0.191 0.000 0.976 184 E CB 0.000 29.533 29.700 -0.278 0.000 0.812 184 E HN 0.000 8.360 8.360 0.000 0.000 0.440