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 2wma_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMENFQKVEK IGEGTYGVVY KARNKLTGEV VALKKIRLDT ETEGVPSTAI DATA SEQUENCE REISLLKELN HPNIVKLLDV IHTENKLYLV FEFLHQDLKK FMDASALTGI DATA SEQUENCE PLPLIKSYLF QLLQGLAFCH SHRVLHRDLK PQNLLINTEG AIKLADFGLA DATA SEQUENCE RAFGVPVRTY XHEVVTLWYR APEILLGCKY YSTAVDIWSL GCIFAEMVTR DATA SEQUENCE RALFPGDSEI DQLFRIFRTL GTPDEVVWPG VTSMPDYKPS FPKWARQDFS DATA SEQUENCE KVVPPLDEDG RSLLSQMLHY DPNKRISAKA ALAHPFFQDV TKPVPHL 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 0 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 0 S C 0.000 174.671 174.600 0.119 0.000 1.055 0 S CA 0.000 58.242 58.200 0.070 0.000 1.107 0 S CB 0.000 63.233 63.200 0.055 0.000 0.593 1 M N 2.039 121.668 119.600 0.048 0.000 2.476 1 M HA 0.188 4.679 4.480 0.018 0.000 0.262 1 M C 1.962 178.287 176.300 0.042 0.000 1.079 1 M CA 1.877 57.189 55.300 0.019 0.000 1.104 1 M CB -1.506 30.984 32.600 -0.182 0.000 1.409 1 M HN 0.811 9.101 8.290 -0.000 0.000 0.467 2 E N 1.610 121.812 120.200 0.003 0.000 2.114 2 E HA -0.223 4.138 4.350 0.018 0.000 0.199 2 E C 1.404 177.959 176.600 -0.074 0.000 1.008 2 E CA 1.872 58.252 56.400 -0.033 0.000 0.810 2 E CB -0.161 29.516 29.700 -0.038 0.000 0.739 2 E HN 0.438 8.798 8.360 -0.000 0.000 0.456 3 N N -0.590 118.023 118.700 -0.145 0.000 2.459 3 N HA -0.035 4.716 4.740 0.018 0.000 0.181 3 N C -0.406 174.808 175.510 -0.493 0.000 1.046 3 N CA 0.576 53.409 53.050 -0.361 0.000 0.904 3 N CB -0.030 38.124 38.487 -0.555 0.000 0.964 3 N HN 0.141 8.521 8.380 -0.000 0.000 0.444 4 F N 0.409 120.292 119.950 -0.112 0.000 2.470 4 F HA 0.377 4.915 4.527 0.019 0.000 0.329 4 F C 0.693 176.413 175.800 -0.132 0.000 1.072 4 F CA -0.925 57.001 58.000 -0.123 0.000 0.989 4 F CB 1.415 40.324 39.000 -0.153 0.000 1.193 4 F HN -0.242 8.058 8.300 -0.000 0.000 0.481 5 Q N 3.496 123.338 119.800 0.070 0.000 2.294 5 Q HA 0.270 4.620 4.340 0.018 0.000 0.264 5 Q C -1.321 174.655 176.000 -0.041 0.000 0.992 5 Q CA -0.762 55.031 55.803 -0.016 0.000 0.747 5 Q CB 1.432 30.151 28.738 -0.031 0.000 1.262 5 Q HN 0.698 8.968 8.270 -0.000 0.000 0.452 6 K N 1.853 122.178 120.400 -0.125 0.000 2.469 6 K HA 0.047 4.378 4.320 0.018 0.000 0.274 6 K C 0.435 177.009 176.600 -0.042 0.000 0.983 6 K CA -0.042 56.129 56.287 -0.193 0.000 0.974 6 K CB 1.174 33.347 32.500 -0.546 0.000 0.913 6 K HN 0.426 8.676 8.250 -0.000 0.000 0.493 7 V N 1.161 121.110 119.914 0.059 0.000 2.996 7 V HA -0.004 4.127 4.120 0.018 0.000 0.235 7 V C -0.198 175.971 176.094 0.125 0.000 1.205 7 V CA 0.776 63.107 62.300 0.052 0.000 1.225 7 V CB 0.106 31.911 31.823 -0.031 0.000 0.995 7 V HN 1.016 9.206 8.190 -0.000 0.000 0.484 8 E N 0.354 120.687 120.200 0.221 0.000 2.401 8 E HA 0.289 4.650 4.350 0.018 0.000 0.283 8 E C -1.446 175.119 176.600 -0.058 0.000 1.053 8 E CA -1.008 55.477 56.400 0.141 0.000 0.842 8 E CB 1.182 30.906 29.700 0.040 0.000 1.222 8 E HN 0.080 8.440 8.360 -0.000 0.000 0.429 9 K N 1.823 121.973 120.400 -0.417 0.000 2.168 9 K HA 0.454 4.785 4.320 0.018 0.000 0.258 9 K C -0.179 176.272 176.600 -0.249 0.000 1.010 9 K CA -0.512 55.364 56.287 -0.686 0.000 0.929 9 K CB 0.462 32.530 32.500 -0.720 0.000 0.998 9 K HN 0.598 8.848 8.250 -0.000 0.000 0.479 10 I N -1.483 118.980 120.570 -0.177 0.000 2.769 10 I HA 0.444 4.625 4.170 0.018 0.000 0.272 10 I C -0.068 176.015 176.117 -0.055 0.000 1.408 10 I CA -0.176 61.086 61.300 -0.063 0.000 0.925 10 I CB 1.415 39.429 38.000 0.025 0.000 1.407 10 I HN 1.007 9.217 8.210 -0.000 0.000 0.550 11 G N 1.507 110.267 108.800 -0.066 0.000 2.462 11 G HA2 0.187 4.157 3.960 0.018 0.000 0.685 11 G HA3 0.187 4.157 3.960 0.018 0.000 0.685 11 G C -0.497 174.382 174.900 -0.035 0.000 1.295 11 G CA -0.392 44.682 45.100 -0.044 0.000 0.941 11 G HN 0.798 9.088 8.290 -0.000 0.000 0.554 12 E N -2.150 118.041 120.200 -0.015 0.000 8.642 12 E HA -0.080 4.281 4.350 0.018 0.000 0.164 12 E C 1.222 177.832 176.600 0.017 0.000 1.456 12 E CA 1.572 57.981 56.400 0.015 0.000 2.535 12 E CB -0.933 28.797 29.700 0.049 0.000 1.326 12 E HN 1.658 10.018 8.360 -0.000 0.000 0.431 13 G N -0.513 108.310 108.800 0.039 0.000 3.392 13 G HA2 0.433 4.403 3.960 0.018 0.000 0.188 13 G HA3 0.433 4.403 3.960 0.018 0.000 0.188 13 G C -0.129 174.793 174.900 0.038 0.000 1.485 13 G CA 0.325 45.475 45.100 0.082 0.000 0.943 13 G HN 0.516 8.806 8.290 -0.000 0.000 0.627 14 T N -0.965 113.589 114.554 -0.001 0.000 2.619 14 T HA 0.283 4.644 4.350 0.018 0.000 0.330 14 T C 0.336 175.065 174.700 0.048 0.000 1.037 14 T CA 1.300 63.383 62.100 -0.029 0.000 1.005 14 T CB 0.346 69.138 68.868 -0.127 0.000 1.084 14 T HN 0.575 8.815 8.240 -0.000 0.000 0.521 15 Y N -0.944 119.348 120.300 -0.014 0.000 2.822 15 Y HA -0.114 4.449 4.550 0.022 0.000 0.469 15 Y C 1.002 176.887 175.900 -0.024 0.000 1.227 15 Y CA 1.569 59.660 58.100 -0.015 0.000 2.538 15 Y CB -1.718 36.744 38.460 0.002 0.000 1.181 15 Y HN 1.193 9.473 8.280 -0.000 0.000 0.607 16 G N -1.365 107.546 108.800 0.185 0.000 2.441 16 G HA2 0.501 4.472 3.960 0.018 0.000 0.225 16 G HA3 0.501 4.472 3.960 0.018 0.000 0.225 16 G C -1.337 173.609 174.900 0.077 0.000 1.200 16 G CA -0.119 45.035 45.100 0.090 0.000 0.947 16 G HN 0.977 9.267 8.290 -0.000 0.000 0.484 17 V N -0.849 119.100 119.914 0.058 0.000 2.716 17 V HA 0.806 4.937 4.120 0.018 0.000 0.304 17 V C 0.494 176.610 176.094 0.035 0.000 1.053 17 V CA -1.014 61.291 62.300 0.008 0.000 0.984 17 V CB 1.357 33.129 31.823 -0.085 0.000 1.021 17 V HN 0.759 8.949 8.190 -0.000 0.000 0.467 18 V N 3.286 123.194 119.914 -0.011 0.000 2.546 18 V HA 0.331 4.462 4.120 0.018 0.000 0.284 18 V C -0.680 175.406 176.094 -0.013 0.000 1.050 18 V CA -0.109 62.209 62.300 0.030 0.000 0.981 18 V CB 0.693 32.512 31.823 -0.005 0.000 0.990 18 V HN 0.849 9.039 8.190 -0.000 0.000 0.474 19 Y N 3.421 123.763 120.300 0.070 0.000 2.326 19 Y HA 0.365 4.925 4.550 0.017 0.000 0.329 19 Y C 0.420 176.333 175.900 0.023 0.000 0.973 19 Y CA -0.784 57.343 58.100 0.045 0.000 1.162 19 Y CB 1.615 40.100 38.460 0.042 0.000 1.147 19 Y HN 0.602 8.882 8.280 -0.000 0.000 0.456 20 K N 3.786 124.294 120.400 0.180 0.000 2.412 20 K HA 0.572 4.903 4.320 0.018 0.000 0.284 20 K C -1.047 175.560 176.600 0.012 0.000 1.046 20 K CA 0.170 56.431 56.287 -0.045 0.000 0.999 20 K CB 0.202 32.535 32.500 -0.277 0.000 0.941 20 K HN 0.668 8.918 8.250 -0.000 0.000 0.474 21 A N 4.470 127.260 122.820 -0.050 0.000 2.556 21 A HA 0.539 4.870 4.320 0.018 0.000 0.294 21 A C -1.373 176.222 177.584 0.018 0.000 1.091 21 A CA -0.946 51.088 52.037 -0.004 0.000 0.704 21 A CB 1.488 20.492 19.000 0.007 0.000 1.300 21 A HN 0.827 8.977 8.150 -0.000 0.000 0.406 22 R N 1.480 122.006 120.500 0.043 0.000 2.437 22 R HA 0.284 4.634 4.340 0.018 0.000 0.310 22 R C -0.748 175.577 176.300 0.042 0.000 0.955 22 R CA -0.645 55.471 56.100 0.027 0.000 0.851 22 R CB 0.872 31.154 30.300 -0.030 0.000 1.161 22 R HN 0.821 9.091 8.270 -0.000 0.000 0.446 23 N N 3.693 122.391 118.700 -0.002 0.000 2.438 23 N HA -0.033 4.718 4.740 0.018 0.000 0.267 23 N C 0.268 175.663 175.510 -0.191 0.000 1.222 23 N CA 0.470 53.371 53.050 -0.249 0.000 0.930 23 N CB 0.981 39.323 38.487 -0.243 0.000 1.083 23 N HN 0.615 8.995 8.380 -0.000 0.000 0.476 24 K N 3.258 123.521 120.400 -0.229 0.000 2.097 24 K HA -0.059 4.272 4.320 0.018 0.000 0.205 24 K C 1.465 177.988 176.600 -0.129 0.000 1.050 24 K CA 1.064 57.263 56.287 -0.146 0.000 0.938 24 K CB 0.226 32.644 32.500 -0.136 0.000 0.718 24 K HN 0.559 8.809 8.250 -0.000 0.000 0.442 25 L N 0.056 121.182 121.223 -0.162 0.000 2.253 25 L HA -0.048 4.302 4.340 0.018 0.000 0.205 25 L C 2.470 179.281 176.870 -0.099 0.000 1.078 25 L CA 1.126 55.893 54.840 -0.122 0.000 0.805 25 L CB -0.337 41.643 42.059 -0.132 0.000 0.963 25 L HN 0.237 8.467 8.230 -0.000 0.000 0.459 26 T N -4.476 110.011 114.554 -0.112 0.000 3.037 26 T HA 0.268 4.629 4.350 0.018 0.000 0.252 26 T C 1.548 176.218 174.700 -0.049 0.000 1.073 26 T CA 0.669 62.725 62.100 -0.073 0.000 1.091 26 T CB 0.811 69.638 68.868 -0.069 0.000 0.935 26 T HN 0.404 8.644 8.240 -0.000 0.000 0.488 27 G N 1.316 110.082 108.800 -0.057 0.000 2.258 27 G HA2 -0.260 3.711 3.960 0.018 0.000 0.233 27 G HA3 -0.260 3.711 3.960 0.018 0.000 0.233 27 G C -0.065 174.827 174.900 -0.013 0.000 1.006 27 G CA 0.120 45.201 45.100 -0.032 0.000 0.620 27 G HN 0.805 9.095 8.290 -0.000 0.000 0.511 28 E N 0.980 121.178 120.200 -0.004 0.000 2.558 28 E HA 0.316 4.677 4.350 0.018 0.000 0.255 28 E C 0.275 176.907 176.600 0.053 0.000 0.968 28 E CA -0.056 56.365 56.400 0.036 0.000 0.939 28 E CB 0.478 30.209 29.700 0.051 0.000 0.921 28 E HN 0.219 8.579 8.360 -0.000 0.000 0.477 29 V N 6.333 126.280 119.914 0.056 0.000 2.432 29 V HA 0.233 4.364 4.120 0.018 0.000 0.275 29 V C 0.401 176.553 176.094 0.097 0.000 1.043 29 V CA -0.310 61.993 62.300 0.005 0.000 0.925 29 V CB 0.789 32.560 31.823 -0.087 0.000 0.985 29 V HN 0.542 8.732 8.190 -0.000 0.000 0.466 30 V N 2.380 122.346 119.914 0.087 0.000 3.158 30 V HA 1.053 5.184 4.120 0.018 0.000 0.315 30 V C -0.124 176.079 176.094 0.181 0.000 1.148 30 V CA -0.926 61.481 62.300 0.177 0.000 1.042 30 V CB 2.123 34.049 31.823 0.172 0.000 1.101 30 V HN 1.012 9.202 8.190 -0.000 0.000 0.448 31 A N 2.137 125.111 122.820 0.256 0.000 2.318 31 A HA 0.847 5.178 4.320 0.018 0.000 0.317 31 A C -0.787 176.940 177.584 0.239 0.000 1.159 31 A CA -0.655 51.550 52.037 0.280 0.000 0.799 31 A CB 0.802 19.989 19.000 0.312 0.000 1.194 31 A HN 0.957 9.107 8.150 -0.000 0.000 0.479 32 L N 2.729 124.071 121.223 0.200 0.000 2.294 32 L HA 0.404 4.755 4.340 0.018 0.000 0.283 32 L C 0.273 177.291 176.870 0.247 0.000 1.015 32 L CA -0.366 54.575 54.840 0.168 0.000 0.831 32 L CB 1.493 43.606 42.059 0.089 0.000 1.217 32 L HN 0.722 8.952 8.230 -0.000 0.000 0.420 33 K N 4.677 125.223 120.400 0.243 0.000 2.250 33 K HA 0.171 4.502 4.320 0.018 0.000 0.280 33 K C -0.210 176.426 176.600 0.061 0.000 1.098 33 K CA -0.448 55.935 56.287 0.159 0.000 0.916 33 K CB 0.647 33.269 32.500 0.203 0.000 1.209 33 K HN 0.379 8.629 8.250 -0.000 0.000 0.461 34 K N 5.398 125.821 120.400 0.037 0.000 2.297 34 K HA 0.193 4.524 4.320 0.018 0.000 0.286 34 K C -0.836 175.674 176.600 -0.151 0.000 1.053 34 K CA -0.319 55.825 56.287 -0.239 0.000 0.940 34 K CB 0.539 32.950 32.500 -0.149 0.000 1.019 34 K HN 0.518 8.768 8.250 -0.000 0.000 0.475 35 I N 6.459 126.896 120.570 -0.222 0.000 2.382 35 I HA 0.217 4.398 4.170 0.018 0.000 0.285 35 I C 0.111 176.165 176.117 -0.106 0.000 1.007 35 I CA -0.907 60.363 61.300 -0.051 0.000 1.142 35 I CB 1.326 39.355 38.000 0.048 0.000 1.289 35 I HN 0.586 8.796 8.210 -0.000 0.000 0.453 36 R N 5.678 126.144 120.500 -0.058 0.000 2.351 36 R HA 0.256 4.606 4.340 0.018 0.000 0.318 36 R C -0.576 175.699 176.300 -0.041 0.000 1.055 36 R CA -0.382 55.683 56.100 -0.058 0.000 0.968 36 R CB 0.805 31.087 30.300 -0.030 0.000 0.974 36 R HN 0.482 8.752 8.270 -0.000 0.000 0.439 37 L N 2.118 123.314 121.223 -0.044 0.000 2.737 37 L HA 0.015 4.365 4.340 0.018 0.000 0.182 37 L C 0.426 177.289 176.870 -0.011 0.000 1.361 37 L CA 1.442 56.268 54.840 -0.024 0.000 0.955 37 L CB -0.358 41.689 42.059 -0.021 0.000 1.267 37 L HN 0.971 9.201 8.230 -0.000 0.000 0.572 38 D N -1.453 118.945 120.400 -0.004 0.000 2.811 38 D HA -0.344 4.307 4.640 0.018 0.000 0.231 38 D C 0.754 177.058 176.300 0.007 0.000 1.157 38 D CA 0.875 54.878 54.000 0.005 0.000 0.716 38 D CB -1.902 38.900 40.800 0.004 0.000 1.077 38 D HN 0.517 8.887 8.370 -0.000 0.000 0.428 39 T N -0.429 114.131 114.554 0.009 0.000 10.716 39 T HA -0.373 3.987 4.350 0.018 0.000 0.368 39 T C 0.576 175.279 174.700 0.005 0.000 1.780 39 T CA 2.587 64.693 62.100 0.010 0.000 2.855 39 T CB -1.563 67.311 68.868 0.011 0.000 2.435 39 T HN 0.724 8.964 8.240 -0.000 0.000 0.858 40 E N 0.075 120.275 120.200 -0.000 0.000 3.065 40 E HA -0.370 3.991 4.350 0.018 0.000 0.277 40 E C 0.837 177.434 176.600 -0.005 0.000 1.008 40 E CA 2.180 58.576 56.400 -0.006 0.000 0.864 40 E CB -1.739 27.955 29.700 -0.010 0.000 1.439 40 E HN 1.361 9.721 8.360 -0.000 0.000 0.445 41 T N -3.901 110.653 114.554 -0.001 0.000 10.265 41 T HA -0.326 4.035 4.350 0.018 0.000 0.414 41 T C 0.771 175.472 174.700 0.001 0.000 1.478 41 T CA 1.990 64.091 62.100 0.000 0.000 2.460 41 T CB -0.935 67.932 68.868 -0.001 0.000 2.923 41 T HN 0.256 8.496 8.240 -0.000 0.000 1.128 42 E N 2.139 122.338 120.200 -0.001 0.000 2.660 42 E HA 0.480 4.840 4.350 0.018 0.000 0.216 42 E C 1.470 178.073 176.600 0.005 0.000 0.986 42 E CA 0.707 57.108 56.400 0.001 0.000 1.037 42 E CB 0.491 30.189 29.700 -0.004 0.000 1.041 42 E HN 1.079 9.439 8.360 -0.000 0.000 0.480 43 G N 0.930 109.734 108.800 0.007 0.000 2.539 43 G HA2 -0.325 3.645 3.960 0.018 0.000 0.256 43 G HA3 -0.325 3.645 3.960 0.018 0.000 0.256 43 G C 0.030 174.936 174.900 0.009 0.000 1.233 43 G CA -0.142 44.965 45.100 0.013 0.000 0.936 43 G HN 0.094 8.384 8.290 -0.000 0.000 0.571 44 V N 2.919 122.843 119.914 0.018 0.000 2.470 44 V HA 0.397 4.528 4.120 0.018 0.000 0.276 44 V C -1.448 174.655 176.094 0.015 0.000 1.040 44 V CA -0.570 61.740 62.300 0.017 0.000 1.008 44 V CB 0.887 32.725 31.823 0.026 0.000 0.990 44 V HN 0.615 8.805 8.190 -0.000 0.000 0.477 45 P HA 0.056 4.476 4.420 -0.000 0.000 0.265 45 P C 1.058 178.364 177.300 0.010 0.000 1.193 45 P CA 0.185 63.274 63.100 -0.018 0.000 0.765 45 P CB 0.585 32.239 31.700 -0.077 0.000 0.823 46 S N 1.435 117.138 115.700 0.005 0.000 2.374 46 S HA -0.224 4.256 4.470 0.018 0.000 0.227 46 S C 1.586 176.213 174.600 0.046 0.000 1.037 46 S CA 2.116 60.332 58.200 0.027 0.000 1.024 46 S CB -1.877 61.337 63.200 0.024 0.000 0.861 46 S HN 0.547 8.857 8.310 -0.000 0.000 0.456 47 T N 3.258 117.823 114.554 0.018 0.000 2.570 47 T HA -0.196 4.165 4.350 0.018 0.000 0.266 47 T C 2.173 177.005 174.700 0.220 0.000 1.071 47 T CA 1.731 63.867 62.100 0.059 0.000 1.172 47 T CB -1.310 67.474 68.868 -0.139 0.000 0.864 47 T HN 0.675 8.915 8.240 -0.000 0.000 0.421 48 A N 1.269 124.252 122.820 0.272 0.000 1.908 48 A HA -0.055 4.276 4.320 0.018 0.000 0.218 48 A C 2.447 180.134 177.584 0.172 0.000 1.181 48 A CA 1.669 53.927 52.037 0.368 0.000 0.627 48 A CB -1.010 18.180 19.000 0.316 0.000 0.818 48 A HN 0.577 8.727 8.150 -0.000 0.000 0.445 49 I N -1.022 119.616 120.570 0.114 0.000 2.163 49 I HA -0.308 3.873 4.170 0.018 0.000 0.243 49 I C 2.851 179.017 176.117 0.082 0.000 1.085 49 I CA 1.673 63.020 61.300 0.078 0.000 1.347 49 I CB -0.371 37.666 38.000 0.061 0.000 1.044 49 I HN 0.312 8.522 8.210 -0.000 0.000 0.408 50 R N 0.371 120.928 120.500 0.096 0.000 2.073 50 R HA -0.215 4.136 4.340 0.018 0.000 0.234 50 R C 2.264 178.639 176.300 0.125 0.000 1.134 50 R CA 1.665 57.825 56.100 0.099 0.000 0.952 50 R CB -0.404 29.954 30.300 0.096 0.000 0.850 50 R HN 0.409 8.679 8.270 -0.000 0.000 0.433 51 E N 0.948 121.246 120.200 0.164 0.000 2.070 51 E HA -0.233 4.127 4.350 0.018 0.000 0.197 51 E C 1.883 178.547 176.600 0.107 0.000 1.004 51 E CA 1.535 58.045 56.400 0.183 0.000 0.805 51 E CB -0.048 29.771 29.700 0.199 0.000 0.744 51 E HN 0.292 8.652 8.360 -0.000 0.000 0.451 52 I N 0.670 121.281 120.570 0.067 0.000 2.162 52 I HA -0.254 3.927 4.170 0.018 0.000 0.238 52 I C 2.765 178.886 176.117 0.007 0.000 1.076 52 I CA 1.214 62.520 61.300 0.009 0.000 1.353 52 I CB -0.466 37.531 38.000 -0.006 0.000 1.063 52 I HN 0.212 8.422 8.210 -0.000 0.000 0.408 53 S N 1.737 117.455 115.700 0.030 0.000 2.370 53 S HA -0.172 4.309 4.470 0.018 0.000 0.226 53 S C 1.999 176.615 174.600 0.026 0.000 1.033 53 S CA 1.184 59.401 58.200 0.028 0.000 1.011 53 S CB -1.064 62.159 63.200 0.038 0.000 0.852 53 S HN 0.385 8.695 8.310 -0.000 0.000 0.457 54 L N 0.215 121.463 121.223 0.042 0.000 2.056 54 L HA -0.002 4.349 4.340 0.018 0.000 0.207 54 L C 2.647 179.492 176.870 -0.041 0.000 1.078 54 L CA 0.582 55.448 54.840 0.043 0.000 0.749 54 L CB -0.721 41.410 42.059 0.120 0.000 0.901 54 L HN 0.257 8.487 8.230 -0.000 0.000 0.433 55 L N 0.419 121.583 121.223 -0.099 0.000 2.079 55 L HA -0.213 4.138 4.340 0.018 0.000 0.210 55 L C 2.566 179.364 176.870 -0.120 0.000 1.081 55 L CA 1.745 56.464 54.840 -0.202 0.000 0.752 55 L CB -0.983 40.994 42.059 -0.137 0.000 0.896 55 L HN 0.256 8.486 8.230 -0.000 0.000 0.433 56 K N -0.400 119.963 120.400 -0.062 0.000 2.063 56 K HA -0.194 4.136 4.320 0.018 0.000 0.208 56 K C 1.718 178.314 176.600 -0.007 0.000 1.048 56 K CA 1.512 57.777 56.287 -0.036 0.000 0.928 56 K CB -0.116 32.375 32.500 -0.016 0.000 0.713 56 K HN 0.467 8.717 8.250 -0.000 0.000 0.442 57 E N 0.433 120.644 120.200 0.017 0.000 2.418 57 E HA -0.054 4.307 4.350 0.018 0.000 0.197 57 E C 0.206 176.870 176.600 0.106 0.000 1.026 57 E CA 0.391 56.837 56.400 0.076 0.000 0.862 57 E CB 0.107 29.866 29.700 0.098 0.000 0.799 57 E HN 0.259 8.619 8.360 -0.000 0.000 0.518 58 L N 2.266 123.501 121.223 0.020 0.000 2.417 58 L HA 0.249 4.600 4.340 0.018 0.000 0.258 58 L C -0.270 176.521 176.870 -0.132 0.000 1.088 58 L CA -0.585 54.269 54.840 0.023 0.000 0.975 58 L CB 0.087 42.082 42.059 -0.107 0.000 1.341 58 L HN -0.112 8.118 8.230 -0.000 0.000 0.431 59 N N 2.063 120.694 118.700 -0.115 0.000 2.485 59 N HA 0.301 5.052 4.740 0.018 0.000 0.243 59 N C -1.048 174.187 175.510 -0.459 0.000 0.987 59 N CA -0.159 52.770 53.050 -0.201 0.000 0.940 59 N CB 0.427 38.870 38.487 -0.073 0.000 1.122 59 N HN 0.450 8.830 8.380 -0.000 0.000 0.509 60 H N 2.492 121.219 119.070 -0.571 0.000 3.086 60 H HA 0.286 4.853 4.556 0.018 0.000 0.353 60 H C -2.084 173.031 175.328 -0.356 0.000 1.134 60 H CA -1.416 54.233 56.048 -0.665 0.000 1.248 60 H CB 1.967 31.040 29.762 -1.148 0.000 1.878 60 H HN 0.317 8.597 8.280 -0.000 0.000 0.527 61 P HA -0.131 4.289 4.420 -0.000 0.000 0.220 61 P C -0.216 177.087 177.300 0.004 0.000 1.144 61 P CA 1.319 64.313 63.100 -0.176 0.000 0.800 61 P CB 0.258 31.813 31.700 -0.241 0.000 0.772 62 N N -1.090 117.763 118.700 0.255 0.000 2.235 62 N HA 0.245 4.996 4.740 0.018 0.000 0.231 62 N C -0.028 175.466 175.510 -0.027 0.000 1.177 62 N CA -0.169 52.923 53.050 0.070 0.000 0.874 62 N CB 0.388 38.890 38.487 0.026 0.000 1.097 62 N HN 0.132 8.512 8.380 -0.000 0.000 0.518 63 I N 0.809 121.363 120.570 -0.026 0.000 2.406 63 I HA 0.207 4.387 4.170 0.018 0.000 0.290 63 I C 0.053 176.146 176.117 -0.039 0.000 0.999 63 I CA -1.128 60.149 61.300 -0.039 0.000 1.124 63 I CB 2.027 39.944 38.000 -0.138 0.000 1.289 63 I HN -0.169 8.041 8.210 -0.000 0.000 0.441 64 V N 6.752 126.672 119.914 0.010 0.000 2.681 64 V HA -0.108 4.023 4.120 0.018 0.000 0.306 64 V C 0.342 176.465 176.094 0.047 0.000 1.077 64 V CA 0.591 62.905 62.300 0.023 0.000 1.224 64 V CB 0.638 32.469 31.823 0.015 0.000 0.879 64 V HN 0.704 8.894 8.190 -0.000 0.000 0.494 65 K N 5.624 126.068 120.400 0.073 0.000 2.262 65 K HA 0.403 4.734 4.320 0.018 0.000 0.282 65 K C -0.663 175.995 176.600 0.096 0.000 1.066 65 K CA -0.656 55.657 56.287 0.042 0.000 0.901 65 K CB 1.012 33.516 32.500 0.007 0.000 1.089 65 K HN 0.660 8.910 8.250 -0.000 0.000 0.476 66 L N 6.511 127.733 121.223 -0.002 0.000 2.456 66 L HA 0.117 4.468 4.340 0.018 0.000 0.277 66 L C 0.106 176.884 176.870 -0.155 0.000 1.124 66 L CA 0.616 55.324 54.840 -0.219 0.000 0.880 66 L CB 0.295 42.196 42.059 -0.264 0.000 1.192 66 L HN 0.848 9.078 8.230 -0.000 0.000 0.463 67 L N 2.943 124.074 121.223 -0.154 0.000 2.354 67 L HA 0.334 4.685 4.340 0.018 0.000 0.212 67 L C -0.049 176.783 176.870 -0.063 0.000 1.091 67 L CA 0.211 55.012 54.840 -0.064 0.000 0.828 67 L CB 0.004 42.062 42.059 -0.002 0.000 0.973 67 L HN 0.639 8.869 8.230 -0.000 0.000 0.461 68 D N -1.952 118.373 120.400 -0.124 0.000 2.720 68 D HA 0.231 4.881 4.640 0.018 0.000 0.239 68 D C -1.456 174.764 176.300 -0.133 0.000 1.218 68 D CA -0.211 53.741 54.000 -0.081 0.000 0.748 68 D CB 2.262 43.062 40.800 -0.000 0.000 1.387 68 D HN -0.372 7.998 8.370 -0.000 0.000 0.438 69 V N 3.343 123.215 119.914 -0.071 0.000 2.357 69 V HA 0.515 4.646 4.120 0.018 0.000 0.284 69 V C 0.234 176.341 176.094 0.022 0.000 1.018 69 V CA -0.495 61.768 62.300 -0.060 0.000 0.841 69 V CB 1.163 32.963 31.823 -0.040 0.000 0.991 69 V HN 0.433 8.623 8.190 -0.000 0.000 0.437 70 I N 4.143 124.729 120.570 0.027 0.000 2.336 70 I HA 0.388 4.569 4.170 0.018 0.000 0.292 70 I C 0.108 176.309 176.117 0.140 0.000 0.991 70 I CA -0.240 61.120 61.300 0.100 0.000 1.227 70 I CB 1.161 39.201 38.000 0.066 0.000 1.366 70 I HN 0.680 8.890 8.210 -0.000 0.000 0.466 71 H N 3.865 122.981 119.070 0.078 0.000 2.587 71 H HA 0.156 4.722 4.556 0.017 0.000 0.245 71 H C 0.144 175.508 175.328 0.060 0.000 1.238 71 H CA -0.451 55.632 56.048 0.058 0.000 0.963 71 H CB 0.416 30.196 29.762 0.031 0.000 1.904 71 H HN 0.707 8.987 8.280 -0.000 0.000 0.584 72 T N -2.410 112.269 114.554 0.209 0.000 2.856 72 T HA -0.112 4.249 4.350 0.018 0.000 0.329 72 T C 1.244 176.036 174.700 0.153 0.000 1.094 72 T CA -0.210 61.985 62.100 0.158 0.000 1.112 72 T CB 1.113 70.069 68.868 0.147 0.000 1.009 72 T HN 0.530 8.770 8.240 -0.000 0.000 0.550 73 E N 0.958 121.225 120.200 0.112 0.000 2.418 73 E HA -0.123 4.238 4.350 0.018 0.000 0.197 73 E C 1.564 178.205 176.600 0.068 0.000 1.026 73 E CA 0.699 57.156 56.400 0.096 0.000 0.862 73 E CB -0.005 29.733 29.700 0.064 0.000 0.799 73 E HN 0.779 9.139 8.360 -0.000 0.000 0.518 74 N N -0.059 118.677 118.700 0.060 0.000 2.439 74 N HA 0.004 4.755 4.740 0.018 0.000 0.176 74 N C 0.327 175.844 175.510 0.012 0.000 1.029 74 N CA 0.208 53.280 53.050 0.038 0.000 0.886 74 N CB 0.502 39.015 38.487 0.043 0.000 1.057 74 N HN -0.107 8.273 8.380 -0.000 0.000 0.437 75 K N -0.057 120.348 120.400 0.009 0.000 2.482 75 K HA 0.464 4.794 4.320 0.018 0.000 0.257 75 K C -1.723 174.801 176.600 -0.127 0.000 0.969 75 K CA -0.793 55.439 56.287 -0.093 0.000 0.842 75 K CB 2.715 35.128 32.500 -0.144 0.000 1.359 75 K HN -0.111 8.139 8.250 -0.000 0.000 0.441 76 L N 2.296 123.368 121.223 -0.252 0.000 2.333 76 L HA 0.435 4.786 4.340 0.018 0.000 0.280 76 L C -1.748 174.921 176.870 -0.336 0.000 1.004 76 L CA -0.372 54.317 54.840 -0.252 0.000 0.820 76 L CB 0.800 42.715 42.059 -0.240 0.000 1.247 76 L HN 0.475 8.705 8.230 -0.000 0.000 0.416 77 Y N 5.211 125.437 120.300 -0.123 0.000 2.335 77 Y HA 0.543 5.105 4.550 0.020 0.000 0.338 77 Y C -0.472 175.317 175.900 -0.184 0.000 0.977 77 Y CA -0.589 57.434 58.100 -0.128 0.000 1.114 77 Y CB 1.645 40.022 38.460 -0.138 0.000 1.182 77 Y HN 0.329 8.609 8.280 -0.000 0.000 0.463 78 L N 5.290 126.485 121.223 -0.047 0.000 2.280 78 L HA 0.474 4.824 4.340 0.018 0.000 0.287 78 L C -0.802 175.878 176.870 -0.317 0.000 1.023 78 L CA -1.047 53.637 54.840 -0.261 0.000 0.819 78 L CB 1.110 42.970 42.059 -0.332 0.000 1.212 78 L HN 0.313 8.543 8.230 -0.000 0.000 0.420 79 V N 4.071 123.753 119.914 -0.386 0.000 2.368 79 V HA 0.319 4.450 4.120 0.018 0.000 0.266 79 V C -0.065 175.818 176.094 -0.351 0.000 1.045 79 V CA -0.162 61.957 62.300 -0.302 0.000 0.899 79 V CB 0.421 32.093 31.823 -0.251 0.000 1.006 79 V HN 0.378 8.568 8.190 -0.000 0.000 0.470 80 F N 2.436 122.370 119.950 -0.027 0.000 2.470 80 F HA 0.450 4.986 4.527 0.016 0.000 0.329 80 F C 0.910 176.730 175.800 0.033 0.000 1.072 80 F CA -1.045 56.951 58.000 -0.006 0.000 0.989 80 F CB 1.191 40.185 39.000 -0.011 0.000 1.193 80 F HN 0.622 8.922 8.300 -0.000 0.000 0.481 81 E N 1.330 121.663 120.200 0.222 0.000 2.452 81 E HA -0.017 4.344 4.350 0.018 0.000 0.261 81 E C -0.985 175.724 176.600 0.182 0.000 0.987 81 E CA -0.329 56.170 56.400 0.164 0.000 0.926 81 E CB 0.454 30.212 29.700 0.097 0.000 0.934 81 E HN 0.462 8.822 8.360 -0.000 0.000 0.452 82 F N 4.061 124.024 119.950 0.022 0.000 2.445 82 F HA 0.324 4.861 4.527 0.018 0.000 0.359 82 F C -1.227 174.511 175.800 -0.103 0.000 1.101 82 F CA -0.585 57.388 58.000 -0.046 0.000 1.177 82 F CB 0.345 39.294 39.000 -0.085 0.000 1.110 82 F HN 0.405 8.705 8.300 -0.000 0.000 0.522 83 L N 6.609 127.326 121.223 -0.842 0.000 2.346 83 L HA 0.345 4.696 4.340 0.018 0.000 0.274 83 L C 0.651 176.854 176.870 -1.111 0.000 1.007 83 L CA -0.498 53.884 54.840 -0.763 0.000 0.818 83 L CB 1.695 43.560 42.059 -0.324 0.000 1.284 83 L HN 0.635 8.865 8.230 -0.000 0.000 0.424 84 H N -0.036 118.597 119.070 -0.727 0.000 2.276 84 H HA -0.033 4.533 4.556 0.018 0.000 0.301 84 H C 0.180 175.361 175.328 -0.245 0.000 1.073 84 H CA 1.486 57.249 56.048 -0.476 0.000 1.311 84 H CB 0.024 29.682 29.762 -0.173 0.000 1.379 84 H HN 0.628 8.908 8.280 -0.000 0.000 0.494 85 Q N 0.591 120.355 119.800 -0.059 0.000 2.882 85 Q HA 0.340 4.691 4.340 0.018 0.000 0.315 85 Q C -1.293 174.657 176.000 -0.084 0.000 1.004 85 Q CA -1.065 54.713 55.803 -0.043 0.000 0.777 85 Q CB 1.868 30.631 28.738 0.041 0.000 1.506 85 Q HN 0.299 8.569 8.270 -0.000 0.000 0.489 86 D N -0.491 119.883 120.400 -0.044 0.000 2.326 86 D HA 0.245 4.895 4.640 0.018 0.000 0.251 86 D C 0.563 176.864 176.300 0.002 0.000 1.023 86 D CA -0.847 53.117 54.000 -0.060 0.000 0.966 86 D CB 1.203 41.967 40.800 -0.060 0.000 1.156 86 D HN 0.448 8.818 8.370 -0.000 0.000 0.494 87 L N 0.725 121.931 121.223 -0.028 0.000 2.042 87 L HA -0.131 4.220 4.340 0.018 0.000 0.210 87 L C 2.043 179.000 176.870 0.145 0.000 1.076 87 L CA 1.877 56.757 54.840 0.066 0.000 0.749 87 L CB -0.784 41.268 42.059 -0.013 0.000 0.893 87 L HN 0.671 8.901 8.230 -0.000 0.000 0.432 88 K N -0.217 120.228 120.400 0.075 0.000 2.001 88 K HA -0.314 4.017 4.320 0.018 0.000 0.214 88 K C 2.315 178.970 176.600 0.091 0.000 1.050 88 K CA 2.115 58.453 56.287 0.084 0.000 0.934 88 K CB -0.240 32.297 32.500 0.062 0.000 0.718 88 K HN 0.172 8.422 8.250 -0.000 0.000 0.443 89 K N 0.553 121.004 120.400 0.085 0.000 2.059 89 K HA -0.210 4.121 4.320 0.018 0.000 0.212 89 K C 1.953 178.631 176.600 0.129 0.000 1.050 89 K CA 1.889 58.230 56.287 0.089 0.000 0.927 89 K CB -0.740 31.808 32.500 0.079 0.000 0.714 89 K HN 0.266 8.516 8.250 -0.000 0.000 0.447 90 F N 0.516 120.474 119.950 0.014 0.000 2.186 90 F HA -0.039 4.499 4.527 0.018 0.000 0.299 90 F C 1.845 177.663 175.800 0.029 0.000 1.090 90 F CA 1.523 59.534 58.000 0.018 0.000 1.307 90 F CB -0.171 38.847 39.000 0.031 0.000 1.019 90 F HN 0.021 8.321 8.300 -0.000 0.000 0.489 91 M N -0.135 119.434 119.600 -0.051 0.000 2.229 91 M HA -0.175 4.316 4.480 0.018 0.000 0.264 91 M C 1.528 177.746 176.300 -0.137 0.000 1.063 91 M CA 1.484 56.697 55.300 -0.146 0.000 1.114 91 M CB -0.523 32.085 32.600 0.014 0.000 1.387 91 M HN 0.035 8.325 8.290 -0.000 0.000 0.420 92 D N 0.734 121.096 120.400 -0.063 0.000 2.144 92 D HA -0.055 4.595 4.640 0.018 0.000 0.200 92 D C 1.970 178.229 176.300 -0.068 0.000 0.978 92 D CA 1.379 55.354 54.000 -0.042 0.000 0.833 92 D CB -0.208 40.593 40.800 0.001 0.000 0.961 92 D HN 0.313 8.683 8.370 -0.000 0.000 0.470 93 A N 0.292 123.054 122.820 -0.097 0.000 1.969 93 A HA -0.088 4.243 4.320 0.018 0.000 0.218 93 A C 2.328 179.820 177.584 -0.152 0.000 1.169 93 A CA 1.300 53.281 52.037 -0.094 0.000 0.635 93 A CB -0.343 18.625 19.000 -0.053 0.000 0.810 93 A HN 0.128 8.278 8.150 -0.000 0.000 0.445 94 S N -0.739 114.782 115.700 -0.297 0.000 2.562 94 S HA 0.259 4.740 4.470 0.018 0.000 0.221 94 S C 1.658 176.182 174.600 -0.127 0.000 0.975 94 S CA 0.447 58.495 58.200 -0.254 0.000 0.918 94 S CB -0.238 62.686 63.200 -0.459 0.000 0.772 94 S HN 0.711 9.021 8.310 -0.000 0.000 0.531 95 A N 0.551 123.308 122.820 -0.104 0.000 2.276 95 A HA 0.101 4.432 4.320 0.018 0.000 0.205 95 A C 1.319 178.876 177.584 -0.045 0.000 1.234 95 A CA 0.785 52.784 52.037 -0.065 0.000 0.797 95 A CB -0.234 18.737 19.000 -0.049 0.000 0.769 95 A HN 0.425 8.575 8.150 -0.000 0.000 0.491 96 L N -2.316 118.882 121.223 -0.041 0.000 2.746 96 L HA 0.019 4.370 4.340 0.018 0.000 0.230 96 L C 2.564 179.416 176.870 -0.030 0.000 1.034 96 L CA 1.957 56.778 54.840 -0.031 0.000 0.922 96 L CB -1.256 40.789 42.059 -0.024 0.000 1.496 96 L HN 0.517 8.747 8.230 -0.000 0.000 0.498 97 T N -1.418 113.119 114.554 -0.028 0.000 2.788 97 T HA 0.184 4.545 4.350 0.018 0.000 0.268 97 T C 1.151 175.837 174.700 -0.022 0.000 1.044 97 T CA 0.837 62.919 62.100 -0.029 0.000 1.139 97 T CB -0.412 68.440 68.868 -0.027 0.000 0.867 97 T HN 0.489 8.729 8.240 -0.000 0.000 0.454 98 G N 0.981 109.768 108.800 -0.022 0.000 2.781 98 G HA2 -0.089 3.882 3.960 0.018 0.000 0.683 98 G HA3 -0.089 3.882 3.960 0.018 0.000 0.683 98 G C -0.628 174.287 174.900 0.025 0.000 1.390 98 G CA -0.507 44.584 45.100 -0.014 0.000 0.850 98 G HN 0.688 8.978 8.290 -0.000 0.000 0.557 99 I N 2.188 122.776 120.570 0.029 0.000 2.325 99 I HA 0.274 4.455 4.170 0.018 0.000 0.291 99 I C -1.728 174.460 176.117 0.118 0.000 1.019 99 I CA -1.838 59.520 61.300 0.096 0.000 1.302 99 I CB 1.516 39.577 38.000 0.101 0.000 1.401 99 I HN 0.230 8.440 8.210 -0.000 0.000 0.485 100 P HA 0.006 4.426 4.420 -0.000 0.000 0.269 100 P C 0.864 178.212 177.300 0.079 0.000 1.209 100 P CA -0.394 62.764 63.100 0.097 0.000 0.776 100 P CB 0.881 32.644 31.700 0.105 0.000 0.876 101 L N 4.438 125.701 121.223 0.066 0.000 2.042 101 L HA -0.107 4.244 4.340 0.018 0.000 0.210 101 L C -0.908 175.986 176.870 0.040 0.000 1.076 101 L CA 2.626 57.517 54.840 0.085 0.000 0.749 101 L CB -1.865 40.242 42.059 0.080 0.000 0.893 101 L HN 0.338 8.568 8.230 -0.000 0.000 0.432 102 P HA -0.148 4.272 4.420 -0.000 0.000 0.217 102 P C 1.884 179.144 177.300 -0.066 0.000 1.150 102 P CA 0.886 63.958 63.100 -0.045 0.000 0.832 102 P CB 0.051 31.725 31.700 -0.042 0.000 0.787 103 L N -0.986 120.191 121.223 -0.076 0.000 2.056 103 L HA -0.102 4.249 4.340 0.018 0.000 0.207 103 L C 2.264 178.994 176.870 -0.234 0.000 1.078 103 L CA 1.556 56.251 54.840 -0.241 0.000 0.749 103 L CB -1.000 40.922 42.059 -0.228 0.000 0.901 103 L HN -0.144 8.086 8.230 -0.000 0.000 0.433 104 I N -0.865 119.704 120.570 -0.001 0.000 2.127 104 I HA -0.355 3.826 4.170 0.018 0.000 0.241 104 I C 2.465 178.711 176.117 0.214 0.000 1.075 104 I CA 1.363 62.767 61.300 0.174 0.000 1.334 104 I CB -0.417 37.755 38.000 0.287 0.000 1.040 104 I HN 0.199 8.409 8.210 -0.000 0.000 0.405 105 K N 0.206 120.693 120.400 0.145 0.000 2.020 105 K HA -0.250 4.081 4.320 0.018 0.000 0.212 105 K C 2.365 179.094 176.600 0.215 0.000 1.050 105 K CA 2.072 58.419 56.287 0.100 0.000 0.929 105 K CB -0.465 31.905 32.500 -0.215 0.000 0.714 105 K HN 0.272 8.522 8.250 -0.000 0.000 0.443 106 S N 0.066 115.819 115.700 0.089 0.000 2.359 106 S HA -0.179 4.302 4.470 0.018 0.000 0.224 106 S C 2.012 176.778 174.600 0.277 0.000 1.035 106 S CA 1.103 59.372 58.200 0.115 0.000 1.018 106 S CB -0.253 62.946 63.200 -0.002 0.000 0.876 106 S HN 0.246 8.556 8.310 -0.000 0.000 0.448 107 Y N 1.008 121.357 120.300 0.081 0.000 2.163 107 Y HA 0.047 4.608 4.550 0.019 0.000 0.288 107 Y C 2.365 178.295 175.900 0.051 0.000 1.136 107 Y CA 0.573 58.702 58.100 0.047 0.000 1.147 107 Y CB -1.329 37.161 38.460 0.050 0.000 0.987 107 Y HN 0.301 8.581 8.280 -0.000 0.000 0.509 108 L N -0.671 120.719 121.223 0.279 0.000 1.989 108 L HA -0.245 4.106 4.340 0.018 0.000 0.211 108 L C 2.287 179.216 176.870 0.098 0.000 1.071 108 L CA 1.617 56.558 54.840 0.167 0.000 0.749 108 L CB -1.369 40.761 42.059 0.119 0.000 0.890 108 L HN 0.127 8.357 8.230 -0.000 0.000 0.431 109 F N 0.274 120.163 119.950 -0.102 0.000 2.065 109 F HA -0.319 4.219 4.527 0.019 0.000 0.298 109 F C 2.562 178.210 175.800 -0.253 0.000 1.112 109 F CA 2.235 59.934 58.000 -0.501 0.000 1.212 109 F CB -0.449 38.215 39.000 -0.559 0.000 0.975 109 F HN 0.266 8.566 8.300 -0.000 0.000 0.476 110 Q N 0.032 119.811 119.800 -0.035 0.000 2.020 110 Q HA -0.218 4.133 4.340 0.018 0.000 0.202 110 Q C 2.385 178.285 176.000 -0.166 0.000 0.982 110 Q CA 2.079 57.825 55.803 -0.093 0.000 0.838 110 Q CB -0.520 28.226 28.738 0.013 0.000 0.899 110 Q HN 0.459 8.729 8.270 -0.000 0.000 0.423 111 L N 0.396 121.541 121.223 -0.131 0.000 2.010 111 L HA -0.286 4.065 4.340 0.018 0.000 0.219 111 L C 2.391 179.142 176.870 -0.200 0.000 1.077 111 L CA 1.316 56.062 54.840 -0.158 0.000 0.773 111 L CB -0.654 41.339 42.059 -0.110 0.000 0.892 111 L HN 0.264 8.494 8.230 -0.000 0.000 0.436 112 L N -1.091 119.999 121.223 -0.221 0.000 2.191 112 L HA -0.215 4.136 4.340 0.018 0.000 0.212 112 L C 2.702 179.391 176.870 -0.301 0.000 1.103 112 L CA 1.115 55.810 54.840 -0.242 0.000 0.769 112 L CB -0.481 41.433 42.059 -0.241 0.000 0.908 112 L HN 0.325 8.555 8.230 -0.000 0.000 0.438 113 Q N -0.369 119.206 119.800 -0.375 0.000 1.990 113 Q HA -0.132 4.219 4.340 0.018 0.000 0.200 113 Q C 2.395 178.166 176.000 -0.383 0.000 0.980 113 Q CA 1.505 57.119 55.803 -0.314 0.000 0.832 113 Q CB -0.506 28.099 28.738 -0.221 0.000 0.897 113 Q HN 0.593 8.863 8.270 -0.000 0.000 0.427 114 G N 1.104 109.619 108.800 -0.476 0.000 2.442 114 G HA2 -0.264 3.707 3.960 0.018 0.000 0.219 114 G HA3 -0.264 3.707 3.960 0.018 0.000 0.219 114 G C 1.381 176.109 174.900 -0.287 0.000 1.141 114 G CA 0.664 45.422 45.100 -0.571 0.000 0.763 114 G HN 0.195 8.485 8.290 -0.000 0.000 0.554 115 L N 1.308 122.375 121.223 -0.261 0.000 2.027 115 L HA 0.185 4.536 4.340 0.018 0.000 0.206 115 L C 3.119 179.775 176.870 -0.356 0.000 1.074 115 L CA 2.051 56.699 54.840 -0.321 0.000 0.745 115 L CB -0.813 41.055 42.059 -0.318 0.000 0.898 115 L HN 0.240 8.470 8.230 -0.000 0.000 0.433 116 A N -1.140 121.564 122.820 -0.193 0.000 1.908 116 A HA -0.291 4.040 4.320 0.018 0.000 0.218 116 A C 2.311 179.924 177.584 0.048 0.000 1.181 116 A CA 1.981 53.990 52.037 -0.045 0.000 0.627 116 A CB -1.187 17.798 19.000 -0.025 0.000 0.818 116 A HN 0.526 8.676 8.150 -0.000 0.000 0.445 117 F N 0.222 120.081 119.950 -0.151 0.000 2.102 117 F HA -0.243 4.295 4.527 0.017 0.000 0.298 117 F C 2.552 178.358 175.800 0.010 0.000 1.105 117 F CA 1.853 59.801 58.000 -0.086 0.000 1.239 117 F CB -0.467 38.343 39.000 -0.317 0.000 0.991 117 F HN 0.309 8.609 8.300 -0.000 0.000 0.474 118 C N -0.057 119.372 119.300 0.215 0.000 2.413 118 C HA -0.236 4.234 4.460 0.018 0.000 0.276 118 C C 2.662 177.869 174.990 0.362 0.000 1.236 118 C CA 1.688 60.874 59.018 0.279 0.000 1.735 118 C CB -1.760 26.150 27.740 0.284 0.000 2.031 118 C HN 0.543 8.773 8.230 -0.000 0.000 0.474 119 H N -0.523 118.685 119.070 0.230 0.000 2.423 119 H HA -0.093 4.473 4.556 0.018 0.000 0.297 119 H C 2.405 177.855 175.328 0.203 0.000 1.075 119 H CA 1.153 57.373 56.048 0.287 0.000 1.342 119 H CB -0.011 29.883 29.762 0.221 0.000 1.395 119 H HN 0.389 8.669 8.280 -0.000 0.000 0.530 120 S N -0.014 115.823 115.700 0.229 0.000 2.447 120 S HA -0.109 4.372 4.470 0.018 0.000 0.233 120 S C 0.643 175.196 174.600 -0.079 0.000 1.006 120 S CA 0.903 59.139 58.200 0.061 0.000 0.957 120 S CB -0.054 63.146 63.200 0.000 0.000 0.773 120 S HN 0.503 8.813 8.310 -0.000 0.000 0.507 121 H N 0.585 119.555 119.070 -0.166 0.000 2.469 121 H HA 0.299 4.865 4.556 0.017 0.000 0.286 121 H C 0.411 175.644 175.328 -0.159 0.000 1.106 121 H CA -0.285 55.655 56.048 -0.181 0.000 1.055 121 H CB -0.101 29.543 29.762 -0.196 0.000 1.618 121 H HN 0.280 8.560 8.280 -0.000 0.000 0.559 122 R N -1.721 118.670 120.500 -0.181 0.000 3.516 122 R HA -0.144 4.207 4.340 0.018 0.000 0.271 122 R C -1.557 174.569 176.300 -0.289 0.000 1.098 122 R CA 0.615 56.245 56.100 -0.783 0.000 0.732 122 R CB -3.198 26.582 30.300 -0.867 0.000 1.152 122 R HN 0.107 8.377 8.270 -0.000 0.000 0.455 123 V N 1.536 121.630 119.914 0.300 0.000 2.407 123 V HA 0.441 4.572 4.120 0.018 0.000 0.291 123 V C 0.499 176.953 176.094 0.601 0.000 1.018 123 V CA -0.826 61.736 62.300 0.438 0.000 0.842 123 V CB 1.675 33.711 31.823 0.355 0.000 0.996 123 V HN 0.294 8.484 8.190 -0.000 0.000 0.426 124 L N 4.099 125.611 121.223 0.481 0.000 2.326 124 L HA 0.438 4.789 4.340 0.018 0.000 0.278 124 L C 1.502 178.523 176.870 0.250 0.000 1.092 124 L CA -0.519 54.519 54.840 0.329 0.000 0.810 124 L CB 0.825 42.972 42.059 0.146 0.000 1.153 124 L HN 0.730 8.960 8.230 -0.000 0.000 0.439 125 H N 4.097 123.236 119.070 0.116 0.000 2.343 125 H HA 0.033 4.601 4.556 0.020 0.000 0.303 125 H C 0.669 175.950 175.328 -0.079 0.000 1.068 125 H CA 1.067 57.044 56.048 -0.118 0.000 1.359 125 H CB 0.527 30.129 29.762 -0.266 0.000 1.402 125 H HN 0.590 8.870 8.280 -0.000 0.000 0.515 126 R N 0.179 120.751 120.500 0.119 0.000 3.953 126 R HA -0.178 4.173 4.340 0.018 0.000 0.340 126 R C -0.809 175.516 176.300 0.041 0.000 1.195 126 R CA 1.008 57.144 56.100 0.060 0.000 0.929 126 R CB -1.495 28.831 30.300 0.044 0.000 1.402 126 R HN 0.342 8.612 8.270 -0.000 0.000 0.540 127 D N 0.012 120.520 120.400 0.179 0.000 3.602 127 D HA 0.106 4.756 4.640 0.018 0.000 0.275 127 D C -1.099 175.311 176.300 0.184 0.000 1.348 127 D CA -0.323 53.763 54.000 0.143 0.000 0.768 127 D CB 0.320 41.132 40.800 0.020 0.000 1.373 127 D HN -0.090 8.280 8.370 -0.000 0.000 0.683 128 L N 2.651 123.911 121.223 0.062 0.000 2.385 128 L HA 0.303 4.653 4.340 0.018 0.000 0.285 128 L C 0.669 177.339 176.870 -0.333 0.000 1.125 128 L CA 0.404 55.122 54.840 -0.203 0.000 0.890 128 L CB -0.238 41.704 42.059 -0.194 0.000 1.251 128 L HN 0.252 8.482 8.230 -0.000 0.000 0.445 129 K N 3.181 123.344 120.400 -0.394 0.000 2.482 129 K HA 0.584 4.915 4.320 0.018 0.000 0.257 129 K C -2.567 173.807 176.600 -0.377 0.000 0.969 129 K CA -1.775 54.116 56.287 -0.660 0.000 0.842 129 K CB 1.756 33.920 32.500 -0.560 0.000 1.359 129 K HN -0.138 8.112 8.250 -0.000 0.000 0.441 130 P HA -0.184 4.236 4.420 -0.000 0.000 0.217 130 P C 0.675 177.913 177.300 -0.103 0.000 1.148 130 P CA 1.403 64.423 63.100 -0.134 0.000 0.828 130 P CB 0.195 31.884 31.700 -0.017 0.000 0.783 131 Q N -0.969 118.772 119.800 -0.099 0.000 2.297 131 Q HA -0.065 4.286 4.340 0.018 0.000 0.204 131 Q C 0.971 176.913 176.000 -0.097 0.000 0.962 131 Q CA 1.196 56.955 55.803 -0.073 0.000 0.879 131 Q CB -0.922 27.782 28.738 -0.055 0.000 0.947 131 Q HN 0.460 8.730 8.270 -0.000 0.000 0.462 132 N N -0.427 118.197 118.700 -0.126 0.000 2.251 132 N HA 0.211 4.961 4.740 0.018 0.000 0.217 132 N C -0.994 174.413 175.510 -0.172 0.000 1.124 132 N CA -0.078 52.898 53.050 -0.124 0.000 0.843 132 N CB 0.563 39.003 38.487 -0.078 0.000 1.024 132 N HN 0.060 8.440 8.380 -0.000 0.000 0.501 133 L N 1.748 122.863 121.223 -0.181 0.000 2.345 133 L HA 0.451 4.801 4.340 0.018 0.000 0.274 133 L C -0.725 176.019 176.870 -0.211 0.000 0.999 133 L CA -0.538 54.175 54.840 -0.211 0.000 0.849 133 L CB 1.429 43.349 42.059 -0.231 0.000 1.220 133 L HN -0.035 8.195 8.230 -0.000 0.000 0.422 134 L N 4.945 126.044 121.223 -0.206 0.000 2.312 134 L HA 0.571 4.922 4.340 0.018 0.000 0.281 134 L C 0.007 176.723 176.870 -0.256 0.000 1.070 134 L CA -0.632 54.082 54.840 -0.210 0.000 0.805 134 L CB 1.607 43.548 42.059 -0.196 0.000 1.174 134 L HN 0.562 8.792 8.230 -0.000 0.000 0.434 135 I N -0.036 120.378 120.570 -0.260 0.000 2.562 135 I HA 0.539 4.720 4.170 0.018 0.000 0.301 135 I C -0.362 175.656 176.117 -0.165 0.000 1.003 135 I CA -0.773 60.359 61.300 -0.281 0.000 1.127 135 I CB 1.793 39.558 38.000 -0.391 0.000 1.304 135 I HN 0.579 8.789 8.210 -0.000 0.000 0.446 136 N N 1.923 120.545 118.700 -0.131 0.000 2.604 136 N HA 0.311 5.062 4.740 0.018 0.000 0.297 136 N C 0.686 176.022 175.510 -0.291 0.000 1.266 136 N CA -0.125 52.870 53.050 -0.092 0.000 0.961 136 N CB 0.434 38.916 38.487 -0.007 0.000 1.166 136 N HN 0.766 9.146 8.380 -0.000 0.000 0.601 137 T N -4.396 109.830 114.554 -0.547 0.000 3.088 137 T HA 0.068 4.429 4.350 0.018 0.000 0.259 137 T C 0.916 175.501 174.700 -0.192 0.000 1.122 137 T CA 0.704 62.561 62.100 -0.406 0.000 1.095 137 T CB -0.129 68.451 68.868 -0.479 0.000 0.930 137 T HN 0.477 8.717 8.240 -0.000 0.000 0.508 138 E N 1.006 121.124 120.200 -0.135 0.000 2.474 138 E HA 0.327 4.687 4.350 0.018 0.000 0.194 138 E C 1.572 178.147 176.600 -0.041 0.000 1.041 138 E CA 0.559 56.919 56.400 -0.066 0.000 0.874 138 E CB -0.272 29.407 29.700 -0.036 0.000 0.914 138 E HN 0.649 9.009 8.360 -0.000 0.000 0.498 139 G N -0.865 107.913 108.800 -0.038 0.000 2.192 139 G HA2 -0.172 3.799 3.960 0.018 0.000 0.193 139 G HA3 -0.172 3.799 3.960 0.018 0.000 0.193 139 G C 0.365 175.322 174.900 0.095 0.000 0.999 139 G CA -0.047 45.065 45.100 0.020 0.000 0.659 139 G HN 0.491 8.781 8.290 -0.000 0.000 0.503 140 A N 0.110 122.944 122.820 0.023 0.000 2.354 140 A HA 0.770 5.101 4.320 0.018 0.000 0.269 140 A C 0.032 177.555 177.584 -0.101 0.000 1.109 140 A CA 0.154 52.187 52.037 -0.006 0.000 0.800 140 A CB 0.714 19.693 19.000 -0.034 0.000 1.045 140 A HN 1.296 9.446 8.150 -0.000 0.000 0.489 141 I N 1.289 121.752 120.570 -0.177 0.000 2.465 141 I HA 0.533 4.714 4.170 0.018 0.000 0.291 141 I C -0.728 175.257 176.117 -0.220 0.000 1.014 141 I CA -0.600 60.476 61.300 -0.373 0.000 1.093 141 I CB 1.518 39.069 38.000 -0.748 0.000 1.267 141 I HN 0.676 8.886 8.210 -0.000 0.000 0.431 142 K N 7.637 127.914 120.400 -0.204 0.000 2.443 142 K HA 0.507 4.838 4.320 0.018 0.000 0.252 142 K C -1.288 175.239 176.600 -0.122 0.000 0.933 142 K CA -0.717 55.493 56.287 -0.128 0.000 0.792 142 K CB 2.285 34.731 32.500 -0.089 0.000 1.185 142 K HN 0.531 8.781 8.250 -0.000 0.000 0.425 143 L N 2.610 123.783 121.223 -0.084 0.000 2.513 143 L HA 0.291 4.642 4.340 0.018 0.000 0.272 143 L C 0.321 177.279 176.870 0.146 0.000 1.187 143 L CA 0.047 54.844 54.840 -0.072 0.000 0.895 143 L CB 0.159 42.178 42.059 -0.068 0.000 1.147 143 L HN 0.730 8.960 8.230 -0.000 0.000 0.483 144 A N 2.300 125.153 122.820 0.056 0.000 2.483 144 A HA 0.557 4.888 4.320 0.018 0.000 0.286 144 A C -0.352 177.333 177.584 0.169 0.000 1.207 144 A CA -0.423 51.701 52.037 0.145 0.000 0.764 144 A CB 1.239 20.193 19.000 -0.076 0.000 1.341 144 A HN 0.745 8.895 8.150 -0.000 0.000 0.428 145 D N -1.372 119.083 120.400 0.091 0.000 3.133 145 D HA -0.139 4.511 4.640 0.018 0.000 0.239 145 D C -0.797 175.522 176.300 0.033 0.000 1.136 145 D CA 0.524 54.545 54.000 0.034 0.000 0.898 145 D CB -1.009 39.780 40.800 -0.018 0.000 0.959 145 D HN 0.411 8.781 8.370 -0.000 0.000 0.415 146 F N 0.222 120.152 119.950 -0.033 0.000 2.696 146 F HA 0.290 4.827 4.527 0.016 0.000 0.296 146 F C 2.234 178.008 175.800 -0.044 0.000 1.181 146 F CA 0.376 58.321 58.000 -0.092 0.000 1.411 146 F CB 0.147 39.157 39.000 0.017 0.000 1.014 146 F HN 0.323 8.623 8.300 -0.000 0.000 0.512 147 G N -0.058 108.803 108.800 0.102 0.000 2.442 147 G HA2 -0.215 3.755 3.960 0.018 0.000 0.219 147 G HA3 -0.215 3.755 3.960 0.018 0.000 0.219 147 G C 1.497 176.447 174.900 0.084 0.000 1.141 147 G CA 0.643 45.875 45.100 0.220 0.000 0.763 147 G HN 0.418 8.708 8.290 -0.000 0.000 0.554 148 L N 0.622 121.811 121.223 -0.057 0.000 2.640 148 L HA 0.460 4.811 4.340 0.018 0.000 0.230 148 L C 1.753 178.573 176.870 -0.083 0.000 1.123 148 L CA -0.296 54.504 54.840 -0.066 0.000 0.900 148 L CB 0.245 42.254 42.059 -0.083 0.000 1.146 148 L HN 0.242 8.472 8.230 -0.000 0.000 0.484 149 A N 0.584 123.335 122.820 -0.115 0.000 2.387 149 A HA 0.452 4.783 4.320 0.018 0.000 0.251 149 A C 0.285 177.899 177.584 0.050 0.000 1.113 149 A CA 0.148 52.162 52.037 -0.037 0.000 0.794 149 A CB 0.365 19.419 19.000 0.091 0.000 1.069 149 A HN 0.291 8.441 8.150 -0.000 0.000 0.506 150 R N -0.744 119.804 120.500 0.081 0.000 2.563 150 R HA 0.469 4.820 4.340 0.018 0.000 0.262 150 R C -0.982 175.352 176.300 0.058 0.000 1.128 150 R CA -0.180 55.930 56.100 0.018 0.000 0.969 150 R CB 1.638 31.872 30.300 -0.110 0.000 1.251 150 R HN 1.105 9.375 8.270 -0.000 0.000 0.442 151 A N 4.580 127.411 122.820 0.019 0.000 2.492 151 A HA 0.364 4.694 4.320 0.018 0.000 0.254 151 A C -0.350 177.212 177.584 -0.036 0.000 1.091 151 A CA -0.041 51.996 52.037 -0.000 0.000 0.768 151 A CB -0.348 18.640 19.000 -0.020 0.000 1.028 151 A HN 0.498 8.648 8.150 -0.000 0.000 0.498 152 F N 1.540 121.424 119.950 -0.109 0.000 2.523 152 F HA 0.838 5.374 4.527 0.015 0.000 0.329 152 F C 0.451 176.267 175.800 0.026 0.000 1.061 152 F CA -0.795 57.147 58.000 -0.096 0.000 0.967 152 F CB 1.052 40.013 39.000 -0.066 0.000 1.218 152 F HN 0.623 8.923 8.300 -0.000 0.000 0.480 153 G N 0.537 109.484 108.800 0.245 0.000 2.491 153 G HA2 0.575 4.546 3.960 0.018 0.000 0.327 153 G HA3 0.575 4.546 3.960 0.018 0.000 0.327 153 G C -1.768 173.243 174.900 0.184 0.000 1.189 153 G CA -1.038 44.119 45.100 0.095 0.000 0.956 153 G HN 0.683 8.973 8.290 -0.000 0.000 0.491 154 V N 2.648 122.603 119.914 0.068 0.000 2.384 154 V HA 0.378 4.509 4.120 0.018 0.000 0.287 154 V C -1.285 174.821 176.094 0.019 0.000 1.020 154 V CA -0.982 61.365 62.300 0.078 0.000 0.850 154 V CB 1.080 32.930 31.823 0.046 0.000 0.987 154 V HN 0.801 8.991 8.190 -0.000 0.000 0.436 155 P HA 0.368 4.788 4.420 -0.000 0.000 0.274 155 P C -0.317 176.965 177.300 -0.029 0.000 1.256 155 P CA -0.289 62.795 63.100 -0.027 0.000 0.795 155 P CB 0.835 32.463 31.700 -0.121 0.000 1.038 156 V N -0.945 118.940 119.914 -0.048 0.000 2.963 156 V HA 0.269 4.400 4.120 0.018 0.000 0.306 156 V C 0.924 176.788 176.094 -0.382 0.000 1.077 156 V CA -0.368 61.898 62.300 -0.057 0.000 1.124 156 V CB -0.212 31.559 31.823 -0.087 0.000 0.987 156 V HN 0.848 9.038 8.190 -0.000 0.000 0.487 157 R N 2.464 122.699 120.500 -0.443 0.000 2.936 157 R HA 0.637 4.988 4.340 0.018 0.000 0.218 157 R C -0.166 175.757 176.300 -0.630 0.000 1.528 157 R CA -0.657 55.181 56.100 -0.437 0.000 1.005 157 R CB -0.157 30.033 30.300 -0.184 0.000 2.099 157 R HN 0.591 8.861 8.270 -0.000 0.000 0.527 158 T N 0.842 115.211 114.554 -0.308 0.000 2.817 158 T HA 0.359 4.720 4.350 0.018 0.000 0.293 158 T C -1.057 173.406 174.700 -0.396 0.000 0.964 158 T CA -0.087 61.830 62.100 -0.305 0.000 1.085 158 T CB 0.187 69.019 68.868 -0.061 0.000 0.921 158 T HN 0.256 8.496 8.240 -0.000 0.000 0.502 162 E N 2.259 122.597 120.200 0.231 0.000 1.896 162 E HA 0.335 4.696 4.350 0.018 0.000 0.276 162 E C -0.759 175.873 176.600 0.053 0.000 1.171 162 E CA 0.169 56.648 56.400 0.132 0.000 1.118 162 E CB 0.405 30.164 29.700 0.098 0.000 1.077 162 E HN 0.062 8.422 8.360 -0.000 0.000 0.452 163 V N 1.938 121.841 119.914 -0.019 0.000 2.733 163 V HA 0.315 4.446 4.120 0.018 0.000 0.306 163 V C -0.954 175.087 176.094 -0.088 0.000 1.084 163 V CA -0.970 61.295 62.300 -0.059 0.000 0.905 163 V CB 2.101 33.871 31.823 -0.088 0.000 1.010 163 V HN 0.304 8.494 8.190 -0.000 0.000 0.424 164 V N 3.491 123.387 119.914 -0.030 0.000 3.379 164 V HA -0.162 3.969 4.120 0.018 0.000 0.484 164 V C 0.320 176.451 176.094 0.062 0.000 0.682 164 V CA 0.440 62.755 62.300 0.025 0.000 2.029 164 V CB -1.156 30.685 31.823 0.029 0.000 2.475 164 V HN 1.050 9.240 8.190 -0.000 0.000 0.502 165 T N 6.287 120.901 114.554 0.101 0.000 2.849 165 T HA 0.100 4.461 4.350 0.018 0.000 0.289 165 T C 1.170 175.966 174.700 0.161 0.000 1.010 165 T CA 0.669 62.833 62.100 0.106 0.000 1.161 165 T CB 0.523 69.467 68.868 0.126 0.000 0.989 165 T HN 0.872 9.112 8.240 -0.000 0.000 0.523 166 L N 4.602 125.860 121.223 0.058 0.000 2.054 166 L HA -0.169 4.182 4.340 0.018 0.000 0.220 166 L C 1.865 178.865 176.870 0.217 0.000 1.081 166 L CA 2.069 56.967 54.840 0.097 0.000 0.780 166 L CB -0.659 41.435 42.059 0.060 0.000 0.893 166 L HN 0.785 9.015 8.230 -0.000 0.000 0.438 167 W N -1.246 120.002 121.300 -0.087 0.000 2.387 167 W HA -0.174 4.497 4.660 0.019 0.000 0.272 167 W C 1.754 178.006 176.519 -0.444 0.000 1.224 167 W CA 0.894 58.022 57.345 -0.363 0.000 1.210 167 W CB -0.995 28.035 29.460 -0.716 0.000 1.125 167 W HN 0.344 8.524 8.180 -0.000 0.000 0.572 168 Y N -1.389 119.151 120.300 0.401 0.000 2.588 168 Y HA 0.273 4.833 4.550 0.017 0.000 0.247 168 Y C 1.126 177.274 175.900 0.414 0.000 1.157 168 Y CA -0.884 57.447 58.100 0.385 0.000 1.215 168 Y CB -0.368 38.240 38.460 0.248 0.000 1.245 168 Y HN -0.346 7.934 8.280 -0.000 0.000 0.534 169 R N 2.089 122.794 120.500 0.342 0.000 2.347 169 R HA 0.553 4.903 4.340 0.018 0.000 0.304 169 R C 0.163 176.374 176.300 -0.149 0.000 1.072 169 R CA -0.174 55.989 56.100 0.105 0.000 0.980 169 R CB 0.454 30.763 30.300 0.015 0.000 0.986 169 R HN 0.221 8.491 8.270 -0.000 0.000 0.448 170 A N 6.343 128.919 122.820 -0.408 0.000 2.445 170 A HA 0.206 4.537 4.320 0.018 0.000 0.242 170 A C -1.691 175.479 177.584 -0.690 0.000 1.075 170 A CA -1.317 50.099 52.037 -1.036 0.000 0.777 170 A CB 0.191 18.879 19.000 -0.519 0.000 1.013 170 A HN 0.715 8.865 8.150 -0.000 0.000 0.493 171 P HA -0.185 4.235 4.420 -0.000 0.000 0.216 171 P C 0.787 178.181 177.300 0.155 0.000 1.150 171 P CA 1.721 64.718 63.100 -0.172 0.000 0.843 171 P CB 0.114 31.861 31.700 0.078 0.000 0.787 172 E N -0.661 119.644 120.200 0.175 0.000 2.118 172 E HA -0.158 4.202 4.350 0.018 0.000 0.195 172 E C 1.949 178.620 176.600 0.117 0.000 0.992 172 E CA 1.059 57.642 56.400 0.306 0.000 0.804 172 E CB -0.977 28.890 29.700 0.277 0.000 0.741 172 E HN 0.308 8.668 8.360 -0.000 0.000 0.458 173 I N 0.206 120.734 120.570 -0.069 0.000 2.277 173 I HA -0.191 3.989 4.170 0.018 0.000 0.243 173 I C 2.095 178.160 176.117 -0.087 0.000 1.094 173 I CA 0.689 61.862 61.300 -0.212 0.000 1.393 173 I CB -0.204 37.548 38.000 -0.415 0.000 1.078 173 I HN 0.046 8.256 8.210 -0.000 0.000 0.417 174 L N 0.329 121.525 121.223 -0.045 0.000 2.042 174 L HA -0.212 4.139 4.340 0.018 0.000 0.210 174 L C 2.054 179.000 176.870 0.126 0.000 1.076 174 L CA 1.427 56.283 54.840 0.027 0.000 0.749 174 L CB -0.447 41.583 42.059 -0.047 0.000 0.893 174 L HN 0.270 8.500 8.230 -0.000 0.000 0.432 175 L N -0.082 121.242 121.223 0.168 0.000 2.627 175 L HA 0.157 4.508 4.340 0.018 0.000 0.232 175 L C 1.198 178.176 176.870 0.180 0.000 1.150 175 L CA 0.244 55.209 54.840 0.208 0.000 0.917 175 L CB -0.578 41.617 42.059 0.227 0.000 1.104 175 L HN 0.447 8.677 8.230 -0.000 0.000 0.445 176 G N -0.211 108.736 108.800 0.245 0.000 2.221 176 G HA2 -0.326 3.644 3.960 0.018 0.000 0.265 176 G HA3 -0.326 3.644 3.960 0.018 0.000 0.265 176 G C 0.364 175.379 174.900 0.192 0.000 1.041 176 G CA 0.128 45.410 45.100 0.303 0.000 0.807 176 G HN 0.397 8.687 8.290 -0.000 0.000 0.502 177 C N 0.045 119.450 119.300 0.175 0.000 2.596 177 C HA 0.334 4.805 4.460 0.018 0.000 0.414 177 C C 2.251 177.289 174.990 0.081 0.000 1.396 177 C CA 0.575 59.665 59.018 0.120 0.000 1.698 177 C CB 0.076 27.927 27.740 0.186 0.000 2.572 177 C HN 0.657 8.887 8.230 -0.000 0.000 0.604 178 K N 3.614 123.954 120.400 -0.100 0.000 2.044 178 K HA -0.081 4.250 4.320 0.018 0.000 0.210 178 K C -0.181 176.243 176.600 -0.294 0.000 1.049 178 K CA 1.853 57.946 56.287 -0.323 0.000 0.927 178 K CB -0.287 31.773 32.500 -0.734 0.000 0.713 178 K HN 0.730 8.980 8.250 -0.000 0.000 0.443 179 Y N -0.305 119.992 120.300 -0.004 0.000 2.350 179 Y HA 0.355 4.914 4.550 0.015 0.000 0.338 179 Y C -0.457 175.455 175.900 0.019 0.000 0.961 179 Y CA -2.220 55.816 58.100 -0.105 0.000 1.100 179 Y CB 0.972 39.376 38.460 -0.094 0.000 1.179 179 Y HN 0.053 8.333 8.280 -0.000 0.000 0.454 180 Y N -0.734 119.648 120.300 0.137 0.000 2.633 180 Y HA 0.914 5.473 4.550 0.015 0.000 0.339 180 Y C -0.342 175.581 175.900 0.039 0.000 1.045 180 Y CA -1.350 56.801 58.100 0.086 0.000 1.098 180 Y CB 1.794 40.286 38.460 0.054 0.000 1.296 180 Y HN 0.502 8.782 8.280 -0.000 0.000 0.494 181 S N -1.245 114.589 115.700 0.224 0.000 2.973 181 S HA 0.302 4.782 4.470 0.018 0.000 0.317 181 S C 0.753 175.275 174.600 -0.131 0.000 1.196 181 S CA -0.131 58.026 58.200 -0.071 0.000 0.894 181 S CB 0.578 63.723 63.200 -0.091 0.000 1.292 181 S HN 0.992 9.302 8.310 -0.000 0.000 0.614 182 T N 0.860 115.186 114.554 -0.380 0.000 2.849 182 T HA -0.024 4.337 4.350 0.018 0.000 0.270 182 T C 1.786 176.408 174.700 -0.130 0.000 1.066 182 T CA 1.472 63.245 62.100 -0.546 0.000 1.130 182 T CB -0.895 67.518 68.868 -0.759 0.000 0.864 182 T HN 0.735 8.975 8.240 -0.000 0.000 0.481 183 A N 1.877 124.685 122.820 -0.020 0.000 2.076 183 A HA 0.034 4.365 4.320 0.018 0.000 0.220 183 A C 2.687 180.362 177.584 0.152 0.000 1.160 183 A CA 1.628 53.717 52.037 0.087 0.000 0.653 183 A CB -1.112 17.930 19.000 0.070 0.000 0.801 183 A HN 0.756 8.906 8.150 -0.000 0.000 0.455 184 V N -2.083 117.902 119.914 0.119 0.000 2.427 184 V HA -0.189 3.942 4.120 0.018 0.000 0.248 184 V C 1.667 177.890 176.094 0.216 0.000 1.051 184 V CA 2.400 64.774 62.300 0.123 0.000 1.048 184 V CB -0.743 31.069 31.823 -0.019 0.000 0.666 184 V HN 0.400 8.590 8.190 -0.000 0.000 0.456 185 D N 0.480 121.015 120.400 0.225 0.000 2.183 185 D HA -0.013 4.638 4.640 0.018 0.000 0.203 185 D C 2.196 178.630 176.300 0.224 0.000 0.969 185 D CA 1.198 55.343 54.000 0.242 0.000 0.842 185 D CB -0.051 40.956 40.800 0.345 0.000 0.957 185 D HN 0.413 8.783 8.370 -0.000 0.000 0.484 186 I N 0.525 121.249 120.570 0.256 0.000 2.252 186 I HA -0.209 3.972 4.170 0.018 0.000 0.245 186 I C 2.343 178.591 176.117 0.218 0.000 1.102 186 I CA 0.683 62.108 61.300 0.209 0.000 1.385 186 I CB -1.068 37.052 38.000 0.200 0.000 1.064 186 I HN 0.266 8.476 8.210 -0.000 0.000 0.414 187 W N 2.092 123.451 121.300 0.099 0.000 2.311 187 W HA -0.291 4.380 4.660 0.020 0.000 0.326 187 W C 2.641 179.251 176.519 0.152 0.000 1.239 187 W CA 2.211 59.620 57.345 0.107 0.000 1.258 187 W CB -0.483 29.025 29.460 0.080 0.000 1.165 187 W HN 0.101 8.281 8.180 -0.000 0.000 0.466 188 S N 1.367 117.306 115.700 0.397 0.000 2.381 188 S HA -0.269 4.212 4.470 0.018 0.000 0.230 188 S C 1.949 176.634 174.600 0.142 0.000 1.052 188 S CA 1.915 60.299 58.200 0.306 0.000 1.068 188 S CB -0.968 62.369 63.200 0.229 0.000 0.918 188 S HN 0.299 8.609 8.310 -0.000 0.000 0.448 189 L N 0.672 121.949 121.223 0.090 0.000 2.083 189 L HA -0.113 4.237 4.340 0.018 0.000 0.209 189 L C 2.733 179.657 176.870 0.091 0.000 1.083 189 L CA 1.347 56.222 54.840 0.059 0.000 0.752 189 L CB -1.237 40.849 42.059 0.045 0.000 0.899 189 L HN 0.472 8.702 8.230 -0.000 0.000 0.433 190 G N -0.709 108.111 108.800 0.034 0.000 2.446 190 G HA2 -0.265 3.706 3.960 0.018 0.000 0.217 190 G HA3 -0.265 3.706 3.960 0.018 0.000 0.217 190 G C 1.642 176.490 174.900 -0.086 0.000 1.168 190 G CA 0.973 46.069 45.100 -0.008 0.000 0.771 190 G HN 0.422 8.712 8.290 -0.000 0.000 0.551 191 C N 0.450 119.655 119.300 -0.158 0.000 2.413 191 C HA -0.010 4.461 4.460 0.018 0.000 0.277 191 C C 2.803 177.820 174.990 0.045 0.000 1.228 191 C CA 0.569 59.517 59.018 -0.118 0.000 1.731 191 C CB -1.122 26.657 27.740 0.065 0.000 2.042 191 C HN 0.470 8.700 8.230 -0.000 0.000 0.468 192 I N 0.330 120.994 120.570 0.156 0.000 2.335 192 I HA -0.220 3.960 4.170 0.018 0.000 0.251 192 I C 2.431 178.656 176.117 0.181 0.000 1.129 192 I CA 1.541 62.929 61.300 0.147 0.000 1.402 192 I CB -0.480 37.551 38.000 0.052 0.000 1.069 192 I HN 0.308 8.518 8.210 -0.000 0.000 0.424 193 F N 1.931 121.876 119.950 -0.009 0.000 2.163 193 F HA -0.090 4.447 4.527 0.017 0.000 0.297 193 F C 2.409 178.179 175.800 -0.049 0.000 1.094 193 F CA 1.138 59.136 58.000 -0.003 0.000 1.290 193 F CB -0.823 38.165 39.000 -0.021 0.000 1.017 193 F HN -0.002 8.298 8.300 -0.000 0.000 0.483 194 A N 0.150 122.826 122.820 -0.239 0.000 1.902 194 A HA -0.230 4.101 4.320 0.018 0.000 0.217 194 A C 2.283 179.742 177.584 -0.210 0.000 1.181 194 A CA 1.762 53.568 52.037 -0.384 0.000 0.623 194 A CB -1.095 17.642 19.000 -0.439 0.000 0.818 194 A HN 0.530 8.680 8.150 -0.000 0.000 0.443 195 E N -0.654 119.487 120.200 -0.098 0.000 2.058 195 E HA -0.198 4.163 4.350 0.018 0.000 0.194 195 E C 2.033 178.645 176.600 0.020 0.000 0.997 195 E CA 1.493 57.874 56.400 -0.032 0.000 0.801 195 E CB -0.207 29.536 29.700 0.071 0.000 0.746 195 E HN 0.641 9.001 8.360 -0.000 0.000 0.450 196 M N -0.139 119.520 119.600 0.098 0.000 2.346 196 M HA -0.156 4.335 4.480 0.018 0.000 0.263 196 M C 1.959 178.319 176.300 0.100 0.000 1.064 196 M CA 0.769 56.159 55.300 0.151 0.000 1.083 196 M CB 0.189 32.951 32.600 0.270 0.000 1.399 196 M HN 0.104 8.394 8.290 -0.000 0.000 0.435 197 V N -0.670 119.260 119.914 0.027 0.000 2.374 197 V HA -0.135 3.996 4.120 0.018 0.000 0.241 197 V C 2.413 178.469 176.094 -0.064 0.000 1.034 197 V CA 2.105 64.390 62.300 -0.024 0.000 1.037 197 V CB -0.734 31.011 31.823 -0.129 0.000 0.682 197 V HN 0.537 8.727 8.190 -0.000 0.000 0.463 198 T N -2.781 111.707 114.554 -0.110 0.000 3.088 198 T HA 0.002 4.363 4.350 0.018 0.000 0.259 198 T C 1.301 175.946 174.700 -0.093 0.000 1.122 198 T CA 0.421 62.447 62.100 -0.123 0.000 1.095 198 T CB -0.215 68.543 68.868 -0.182 0.000 0.930 198 T HN 0.338 8.578 8.240 -0.000 0.000 0.508 199 R N 0.426 120.888 120.500 -0.063 0.000 3.946 199 R HA -0.177 4.174 4.340 0.018 0.000 0.329 199 R C 0.162 176.430 176.300 -0.053 0.000 1.209 199 R CA 1.117 57.192 56.100 -0.042 0.000 0.909 199 R CB -1.182 29.093 30.300 -0.042 0.000 1.355 199 R HN 0.732 9.002 8.270 -0.000 0.000 0.539 200 R N -0.375 120.069 120.500 -0.093 0.000 2.771 200 R HA 0.640 4.991 4.340 0.018 0.000 0.274 200 R C -0.989 175.195 176.300 -0.194 0.000 0.987 200 R CA -0.059 55.962 56.100 -0.131 0.000 0.908 200 R CB 1.520 31.725 30.300 -0.159 0.000 1.213 200 R HN 0.083 8.353 8.270 -0.000 0.000 0.468 201 A N 2.966 125.624 122.820 -0.270 0.000 2.498 201 A HA 0.076 4.407 4.320 0.018 0.000 0.239 201 A C 0.841 178.114 177.584 -0.518 0.000 1.068 201 A CA -0.399 51.400 52.037 -0.397 0.000 0.766 201 A CB 0.342 18.891 19.000 -0.752 0.000 1.003 201 A HN 0.752 8.902 8.150 -0.000 0.000 0.497 202 L N 1.649 122.504 121.223 -0.613 0.000 2.027 202 L HA 0.109 4.459 4.340 0.018 0.000 0.206 202 L C 0.141 176.388 176.870 -1.038 0.000 1.074 202 L CA 1.906 56.177 54.840 -0.949 0.000 0.745 202 L CB -0.370 40.894 42.059 -1.325 0.000 0.898 202 L HN 0.627 8.857 8.230 -0.000 0.000 0.433 203 F N 0.528 120.240 119.950 -0.398 0.000 2.531 203 F HA 0.396 4.934 4.527 0.018 0.000 0.333 203 F C -2.115 173.308 175.800 -0.629 0.000 1.292 203 F CA -2.889 54.885 58.000 -0.376 0.000 1.184 203 F CB 0.102 38.993 39.000 -0.182 0.000 1.426 203 F HN -0.007 8.293 8.300 -0.000 0.000 0.559 204 P HA 0.168 4.588 4.420 -0.000 0.000 0.225 204 P C 0.630 177.654 177.300 -0.460 0.000 1.813 204 P CA 0.270 62.513 63.100 -1.428 0.000 1.013 204 P CB 0.381 31.286 31.700 -1.324 0.000 1.961 205 G N 1.522 110.249 108.800 -0.121 0.000 2.539 205 G HA2 0.257 4.228 3.960 0.018 0.000 0.258 205 G HA3 0.257 4.228 3.960 0.018 0.000 0.258 205 G C 0.053 175.094 174.900 0.236 0.000 1.202 205 G CA -0.531 44.604 45.100 0.058 0.000 0.851 205 G HN 0.223 8.513 8.290 -0.000 0.000 0.556 206 D N -1.779 118.699 120.400 0.130 0.000 2.462 206 D HA 0.265 4.916 4.640 0.018 0.000 0.221 206 D C 0.608 176.935 176.300 0.046 0.000 1.173 206 D CA 0.014 54.087 54.000 0.122 0.000 0.831 206 D CB 0.467 41.330 40.800 0.105 0.000 1.001 206 D HN 0.471 8.841 8.370 -0.000 0.000 0.499 207 S N -1.589 114.119 115.700 0.014 0.000 2.611 207 S HA 0.236 4.717 4.470 0.018 0.000 0.268 207 S C 0.491 175.055 174.600 -0.061 0.000 1.156 207 S CA -0.935 57.251 58.200 -0.025 0.000 0.817 207 S CB 1.478 64.650 63.200 -0.047 0.000 1.122 207 S HN -0.122 8.188 8.310 -0.000 0.000 0.466 208 E N 0.124 120.285 120.200 -0.065 0.000 2.049 208 E HA -0.172 4.188 4.350 0.018 0.000 0.198 208 E C 1.670 178.151 176.600 -0.198 0.000 1.007 208 E CA 1.666 58.014 56.400 -0.088 0.000 0.809 208 E CB -0.318 29.356 29.700 -0.042 0.000 0.749 208 E HN 0.581 8.941 8.360 -0.000 0.000 0.450 209 I N 1.815 122.229 120.570 -0.261 0.000 2.315 209 I HA -0.229 3.952 4.170 0.018 0.000 0.248 209 I C 1.979 177.681 176.117 -0.691 0.000 1.117 209 I CA 1.430 62.415 61.300 -0.525 0.000 1.404 209 I CB -0.130 37.565 38.000 -0.508 0.000 1.071 209 I HN -0.016 8.194 8.210 -0.000 0.000 0.419 210 D N -0.301 119.869 120.400 -0.383 0.000 2.097 210 D HA -0.266 4.385 4.640 0.018 0.000 0.195 210 D C 2.135 178.308 176.300 -0.211 0.000 0.989 210 D CA 1.426 55.278 54.000 -0.247 0.000 0.827 210 D CB -0.173 40.560 40.800 -0.111 0.000 0.966 210 D HN 0.335 8.705 8.370 -0.000 0.000 0.456 211 Q N 0.174 119.867 119.800 -0.179 0.000 2.029 211 Q HA -0.142 4.209 4.340 0.018 0.000 0.209 211 Q C 2.442 178.258 176.000 -0.307 0.000 0.999 211 Q CA 1.490 57.197 55.803 -0.160 0.000 0.857 211 Q CB -0.708 27.981 28.738 -0.082 0.000 0.926 211 Q HN 0.402 8.672 8.270 -0.000 0.000 0.415 212 L N -0.748 120.226 121.223 -0.414 0.000 1.991 212 L HA -0.260 4.091 4.340 0.018 0.000 0.221 212 L C 2.278 178.679 176.870 -0.781 0.000 1.079 212 L CA 1.672 56.091 54.840 -0.701 0.000 0.778 212 L CB -0.578 41.011 42.059 -0.783 0.000 0.893 212 L HN 0.324 8.554 8.230 -0.000 0.000 0.437 213 F N -0.021 119.532 119.950 -0.662 0.000 2.171 213 F HA -0.149 4.390 4.527 0.020 0.000 0.300 213 F C 2.762 178.282 175.800 -0.467 0.000 1.090 213 F CA 0.991 58.722 58.000 -0.449 0.000 1.293 213 F CB -0.975 37.908 39.000 -0.196 0.000 1.013 213 F HN 0.071 8.371 8.300 -0.000 0.000 0.486 214 R N 0.290 120.678 120.500 -0.187 0.000 2.083 214 R HA -0.190 4.161 4.340 0.018 0.000 0.237 214 R C 2.306 178.417 176.300 -0.316 0.000 1.137 214 R CA 1.751 57.727 56.100 -0.207 0.000 0.951 214 R CB -1.015 29.223 30.300 -0.104 0.000 0.851 214 R HN 0.291 8.561 8.270 -0.000 0.000 0.434 215 I N 0.254 120.483 120.570 -0.568 0.000 2.127 215 I HA -0.294 3.887 4.170 0.018 0.000 0.241 215 I C 2.143 178.264 176.117 0.007 0.000 1.075 215 I CA 1.303 62.188 61.300 -0.692 0.000 1.334 215 I CB -0.330 37.360 38.000 -0.517 0.000 1.040 215 I HN 0.004 8.214 8.210 -0.000 0.000 0.405 216 F N 1.089 121.036 119.950 -0.004 0.000 2.171 216 F HA -0.154 4.384 4.527 0.018 0.000 0.300 216 F C 2.650 178.453 175.800 0.005 0.000 1.090 216 F CA 1.220 59.313 58.000 0.155 0.000 1.293 216 F CB -1.150 38.001 39.000 0.250 0.000 1.013 216 F HN 0.026 8.326 8.300 -0.000 0.000 0.486 217 R N -0.755 119.630 120.500 -0.192 0.000 2.092 217 R HA -0.092 4.259 4.340 0.018 0.000 0.231 217 R C 2.119 178.336 176.300 -0.138 0.000 1.119 217 R CA 1.728 57.527 56.100 -0.502 0.000 0.970 217 R CB -0.711 29.083 30.300 -0.844 0.000 0.864 217 R HN 0.212 8.482 8.270 -0.000 0.000 0.440 218 T N 1.137 115.680 114.554 -0.018 0.000 2.770 218 T HA 0.029 4.390 4.350 0.018 0.000 0.258 218 T C 1.681 176.449 174.700 0.113 0.000 1.039 218 T CA 0.911 63.045 62.100 0.056 0.000 1.143 218 T CB 0.071 69.070 68.868 0.219 0.000 0.866 218 T HN 0.117 8.357 8.240 -0.000 0.000 0.428 219 L N 0.171 121.529 121.223 0.226 0.000 2.585 219 L HA 0.402 4.752 4.340 0.018 0.000 0.226 219 L C 1.081 178.199 176.870 0.413 0.000 1.113 219 L CA -0.273 54.765 54.840 0.331 0.000 0.876 219 L CB -0.270 41.982 42.059 0.322 0.000 1.072 219 L HN 0.420 8.650 8.230 -0.000 0.000 0.468 220 G N 0.253 109.268 108.800 0.357 0.000 2.712 220 G HA2 -0.174 3.796 3.960 0.018 0.000 0.686 220 G HA3 -0.174 3.796 3.960 0.018 0.000 0.686 220 G C -0.334 174.664 174.900 0.164 0.000 1.181 220 G CA -0.916 44.346 45.100 0.270 0.000 0.762 220 G HN -0.087 8.203 8.290 -0.000 0.000 0.641 221 T N 4.775 119.344 114.554 0.024 0.000 2.799 221 T HA 0.473 4.833 4.350 0.018 0.000 0.296 221 T C -1.391 173.032 174.700 -0.462 0.000 0.947 221 T CA 0.100 61.936 62.100 -0.440 0.000 1.141 221 T CB 1.130 69.828 68.868 -0.283 0.000 0.891 221 T HN 0.623 8.863 8.240 -0.000 0.000 0.533 222 P HA 0.222 4.642 4.420 -0.000 0.000 0.271 222 P C -0.816 176.335 177.300 -0.248 0.000 1.216 222 P CA -0.379 62.404 63.100 -0.529 0.000 0.776 222 P CB 0.778 32.107 31.700 -0.618 0.000 0.881 223 D N 0.562 120.879 120.400 -0.139 0.000 2.650 223 D HA 0.186 4.837 4.640 0.018 0.000 0.255 223 D C 0.921 177.164 176.300 -0.096 0.000 1.135 223 D CA -0.601 53.327 54.000 -0.120 0.000 1.099 223 D CB 0.201 40.958 40.800 -0.071 0.000 1.273 223 D HN 0.141 8.511 8.370 -0.000 0.000 0.628 224 E N -0.588 119.546 120.200 -0.109 0.000 2.338 224 E HA -0.039 4.322 4.350 0.018 0.000 0.197 224 E C 1.941 178.543 176.600 0.005 0.000 1.007 224 E CA 0.398 56.752 56.400 -0.078 0.000 0.849 224 E CB -0.063 29.580 29.700 -0.096 0.000 0.774 224 E HN 0.324 8.684 8.360 -0.000 0.000 0.506 225 V N 0.557 120.480 119.914 0.015 0.000 2.255 225 V HA -0.154 3.977 4.120 0.018 0.000 0.243 225 V C 2.392 178.548 176.094 0.103 0.000 1.038 225 V CA 1.362 63.691 62.300 0.049 0.000 1.008 225 V CB -0.550 31.294 31.823 0.034 0.000 0.645 225 V HN 0.107 8.297 8.190 -0.000 0.000 0.449 226 V N -1.534 118.445 119.914 0.108 0.000 2.626 226 V HA -0.105 4.026 4.120 0.018 0.000 0.252 226 V C 0.484 176.775 176.094 0.328 0.000 1.067 226 V CA 1.296 63.699 62.300 0.172 0.000 1.081 226 V CB 0.175 32.061 31.823 0.105 0.000 0.686 226 V HN 0.744 8.934 8.190 -0.000 0.000 0.468 227 W N 1.893 123.218 121.300 0.042 0.000 2.409 227 W HA 0.480 5.149 4.660 0.016 0.000 0.285 227 W C -3.159 173.365 176.519 0.008 0.000 1.030 227 W CA -3.317 54.071 57.345 0.071 0.000 1.330 227 W CB 0.586 30.088 29.460 0.071 0.000 1.236 227 W HN 0.076 8.256 8.180 -0.000 0.000 0.341 228 P HA 0.284 4.704 4.420 -0.000 0.000 0.265 228 P C 0.858 178.114 177.300 -0.073 0.000 1.193 228 P CA 2.233 65.371 63.100 0.064 0.000 0.765 228 P CB 0.942 32.702 31.700 0.100 0.000 0.823 229 G N 1.254 109.946 108.800 -0.180 0.000 2.199 229 G HA2 -0.320 3.650 3.960 0.018 0.000 0.254 229 G HA3 -0.320 3.650 3.960 0.018 0.000 0.254 229 G C 0.905 175.529 174.900 -0.459 0.000 0.982 229 G CA 0.351 45.300 45.100 -0.252 0.000 0.632 229 G HN 0.423 8.713 8.290 -0.000 0.000 0.529 230 V N -0.358 119.151 119.914 -0.675 0.000 2.231 230 V HA -0.160 3.971 4.120 0.018 0.000 0.248 230 V C 2.961 178.531 176.094 -0.874 0.000 1.054 230 V CA 3.269 65.041 62.300 -0.881 0.000 1.015 230 V CB -1.987 29.352 31.823 -0.807 0.000 0.638 230 V HN 1.159 9.349 8.190 -0.000 0.000 0.444 231 T N -3.174 110.800 114.554 -0.966 0.000 3.155 231 T HA -0.037 4.324 4.350 0.018 0.000 0.264 231 T C 1.633 176.056 174.700 -0.461 0.000 1.160 231 T CA 1.321 62.736 62.100 -1.141 0.000 1.075 231 T CB -0.154 68.311 68.868 -0.671 0.000 0.921 231 T HN 0.459 8.699 8.240 -0.000 0.000 0.533 232 S N -0.318 115.168 115.700 -0.358 0.000 2.512 232 S HA 0.430 4.911 4.470 0.018 0.000 0.216 232 S C 0.744 175.267 174.600 -0.128 0.000 1.006 232 S CA -0.602 57.486 58.200 -0.187 0.000 0.915 232 S CB -0.261 62.839 63.200 -0.166 0.000 0.824 232 S HN 0.498 8.808 8.310 -0.000 0.000 0.497 233 M N 1.929 121.444 119.600 -0.142 0.000 2.240 233 M HA 0.204 4.695 4.480 0.018 0.000 0.333 233 M C -1.740 174.567 176.300 0.011 0.000 1.110 233 M CA -1.576 53.683 55.300 -0.069 0.000 1.173 233 M CB -0.036 32.508 32.600 -0.092 0.000 1.458 233 M HN -0.132 8.158 8.290 -0.000 0.000 0.458 234 P HA -0.124 4.296 4.420 -0.000 0.000 0.219 234 P C 0.034 177.347 177.300 0.022 0.000 1.146 234 P CA 1.320 64.423 63.100 0.004 0.000 0.808 234 P CB 0.206 31.904 31.700 -0.004 0.000 0.779 235 D N -3.229 117.211 120.400 0.067 0.000 2.501 235 D HA 0.061 4.711 4.640 0.018 0.000 0.224 235 D C -0.211 176.162 176.300 0.122 0.000 1.202 235 D CA -0.373 53.676 54.000 0.082 0.000 0.829 235 D CB -0.354 40.511 40.800 0.107 0.000 1.023 235 D HN 0.196 8.566 8.370 -0.000 0.000 0.499 236 Y N 2.175 122.459 120.300 -0.027 0.000 2.436 236 Y HA 0.142 4.702 4.550 0.017 0.000 0.336 236 Y C 0.058 175.720 175.900 -0.397 0.000 1.049 236 Y CA -0.094 57.919 58.100 -0.145 0.000 1.294 236 Y CB 0.379 38.756 38.460 -0.137 0.000 1.179 236 Y HN -0.353 7.927 8.280 -0.000 0.000 0.520 237 K N 8.664 128.130 120.400 -1.557 0.000 2.235 237 K HA 0.244 4.574 4.320 0.018 0.000 0.266 237 K C -1.920 173.881 176.600 -1.332 0.000 0.980 237 K CA -1.872 53.720 56.287 -1.160 0.000 0.849 237 K CB 1.444 33.428 32.500 -0.862 0.000 1.098 237 K HN 0.422 8.672 8.250 -0.000 0.000 0.445 238 P HA -0.206 4.214 4.420 -0.000 0.000 0.219 238 P C 0.702 177.860 177.300 -0.238 0.000 1.146 238 P CA 1.219 64.182 63.100 -0.228 0.000 0.808 238 P CB 0.107 31.764 31.700 -0.072 0.000 0.779 239 S N -1.877 113.670 115.700 -0.255 0.000 2.653 239 S HA -0.048 4.433 4.470 0.018 0.000 0.233 239 S C 0.625 175.220 174.600 -0.007 0.000 0.970 239 S CA -0.218 57.911 58.200 -0.117 0.000 0.947 239 S CB -1.267 61.892 63.200 -0.069 0.000 0.771 239 S HN -0.160 8.150 8.310 -0.000 0.000 0.538 240 F N 3.499 123.354 119.950 -0.158 0.000 2.578 240 F HA 0.370 4.907 4.527 0.017 0.000 0.376 240 F C -1.998 173.616 175.800 -0.310 0.000 1.085 240 F CA -2.941 54.974 58.000 -0.143 0.000 1.260 240 F CB -0.657 38.295 39.000 -0.080 0.000 1.095 240 F HN 0.050 8.350 8.300 -0.000 0.000 0.573 241 P HA 0.068 4.488 4.420 -0.000 0.000 0.268 241 P C -0.946 175.861 177.300 -0.821 0.000 1.205 241 P CA -0.077 62.535 63.100 -0.813 0.000 0.771 241 P CB 0.428 31.230 31.700 -1.497 0.000 0.858 242 K N 2.550 122.546 120.400 -0.674 0.000 2.419 242 K HA 0.229 4.560 4.320 0.018 0.000 0.244 242 K C -0.669 175.743 176.600 -0.313 0.000 1.045 242 K CA -0.324 55.745 56.287 -0.363 0.000 1.004 242 K CB 0.567 32.950 32.500 -0.195 0.000 1.376 242 K HN 0.479 8.729 8.250 -0.000 0.000 0.460 243 W N 1.541 122.806 121.300 -0.059 0.000 2.316 243 W HA 0.344 5.014 4.660 0.017 0.000 0.321 243 W C 0.555 177.070 176.519 -0.006 0.000 1.203 243 W CA -1.165 56.166 57.345 -0.024 0.000 1.214 243 W CB 0.951 30.413 29.460 0.003 0.000 1.169 243 W HN 0.463 8.643 8.180 -0.000 0.000 0.561 244 A N 3.759 126.722 122.820 0.239 0.000 2.511 244 A HA 0.129 4.460 4.320 0.018 0.000 0.242 244 A C 0.564 178.255 177.584 0.178 0.000 1.069 244 A CA -0.258 51.874 52.037 0.158 0.000 0.763 244 A CB 0.047 19.118 19.000 0.117 0.000 1.001 244 A HN 0.682 8.832 8.150 -0.000 0.000 0.498 245 R N 2.762 123.353 120.500 0.152 0.000 2.484 245 R HA 0.050 4.401 4.340 0.018 0.000 0.293 245 R C -0.022 176.354 176.300 0.127 0.000 1.023 245 R CA 0.124 56.322 56.100 0.164 0.000 1.037 245 R CB 0.191 30.596 30.300 0.174 0.000 0.951 245 R HN 0.855 9.125 8.270 -0.000 0.000 0.418 246 Q N 2.228 122.088 119.800 0.100 0.000 2.395 246 Q HA -0.082 4.268 4.340 0.018 0.000 0.271 246 Q C -0.472 175.574 176.000 0.078 0.000 1.026 246 Q CA 0.144 55.978 55.803 0.051 0.000 0.900 246 Q CB 0.657 29.383 28.738 -0.020 0.000 1.266 246 Q HN 0.577 8.847 8.270 -0.000 0.000 0.430 247 D N 1.342 121.777 120.400 0.058 0.000 2.520 247 D HA -0.146 4.505 4.640 0.018 0.000 0.243 247 D C 0.006 176.350 176.300 0.073 0.000 1.160 247 D CA 0.527 54.573 54.000 0.077 0.000 0.877 247 D CB 0.323 41.149 40.800 0.044 0.000 1.150 247 D HN 0.457 8.827 8.370 -0.000 0.000 0.494 248 F N 2.421 122.357 119.950 -0.023 0.000 2.451 248 F HA -0.137 4.401 4.527 0.017 0.000 0.299 248 F C 2.510 178.267 175.800 -0.072 0.000 1.101 248 F CA 1.308 59.279 58.000 -0.048 0.000 1.436 248 F CB 0.032 39.003 39.000 -0.048 0.000 1.074 248 F HN 0.497 8.797 8.300 -0.000 0.000 0.553 249 S N -1.195 114.555 115.700 0.084 0.000 2.507 249 S HA -0.099 4.382 4.470 0.018 0.000 0.235 249 S C 1.810 176.370 174.600 -0.066 0.000 0.988 249 S CA 0.536 58.741 58.200 0.008 0.000 0.944 249 S CB -0.214 62.998 63.200 0.019 0.000 0.762 249 S HN 0.173 8.483 8.310 -0.000 0.000 0.526 250 K N 1.043 121.385 120.400 -0.098 0.000 2.276 250 K HA 0.341 4.672 4.320 0.018 0.000 0.198 250 K C 2.059 178.536 176.600 -0.205 0.000 1.052 250 K CA 0.579 56.792 56.287 -0.123 0.000 0.984 250 K CB -1.018 31.432 32.500 -0.084 0.000 0.836 250 K HN 0.327 8.577 8.250 -0.000 0.000 0.490 251 V N 1.122 120.839 119.914 -0.327 0.000 2.282 251 V HA -0.148 3.983 4.120 0.018 0.000 0.249 251 V C 1.216 177.071 176.094 -0.399 0.000 1.057 251 V CA 1.329 63.355 62.300 -0.457 0.000 1.032 251 V CB -0.256 31.044 31.823 -0.872 0.000 0.645 251 V HN -0.082 8.108 8.190 -0.000 0.000 0.447 252 V N 0.594 120.292 119.914 -0.360 0.000 2.462 252 V HA 0.241 4.372 4.120 0.018 0.000 0.257 252 V C -1.730 174.244 176.094 -0.198 0.000 0.944 252 V CA -0.765 61.356 62.300 -0.299 0.000 0.903 252 V CB 0.936 32.532 31.823 -0.377 0.000 1.128 252 V HN 0.337 8.527 8.190 -0.000 0.000 0.486 253 P HA -0.107 4.313 4.420 -0.000 0.000 0.216 253 P C -1.257 175.998 177.300 -0.076 0.000 1.154 253 P CA 1.704 64.743 63.100 -0.102 0.000 0.865 253 P CB -0.634 31.012 31.700 -0.090 0.000 0.789 254 P HA -0.009 4.411 4.420 -0.000 0.000 0.225 254 P C 0.336 177.618 177.300 -0.030 0.000 1.156 254 P CA 0.299 63.372 63.100 -0.044 0.000 0.787 254 P CB -0.184 31.493 31.700 -0.038 0.000 0.802 255 L N 0.754 121.937 121.223 -0.066 0.000 2.525 255 L HA -0.033 4.317 4.340 0.018 0.000 0.278 255 L C 1.130 177.993 176.870 -0.012 0.000 1.218 255 L CA 1.058 55.863 54.840 -0.058 0.000 0.878 255 L CB -0.217 41.735 42.059 -0.179 0.000 1.127 255 L HN -0.181 8.049 8.230 -0.000 0.000 0.492 256 D N 1.492 121.917 120.400 0.042 0.000 2.360 256 D HA 0.048 4.699 4.640 0.018 0.000 0.210 256 D C 1.178 177.513 176.300 0.059 0.000 1.047 256 D CA 0.880 54.916 54.000 0.059 0.000 0.854 256 D CB 0.466 41.322 40.800 0.093 0.000 0.936 256 D HN 0.724 9.094 8.370 -0.000 0.000 0.514 257 E N -1.399 118.832 120.200 0.051 0.000 3.393 257 E HA -0.166 4.195 4.350 0.018 0.000 0.170 257 E C 0.284 176.930 176.600 0.075 0.000 0.577 257 E CA 0.442 56.873 56.400 0.051 0.000 2.836 257 E CB -1.053 28.679 29.700 0.053 0.000 1.541 257 E HN 0.051 8.411 8.360 -0.000 0.000 0.753 258 D N 0.335 120.818 120.400 0.138 0.000 2.103 258 D HA 0.005 4.656 4.640 0.018 0.000 0.199 258 D C 1.692 178.007 176.300 0.024 0.000 0.978 258 D CA 1.683 55.823 54.000 0.233 0.000 0.829 258 D CB -0.658 40.363 40.800 0.368 0.000 0.981 258 D HN 0.386 8.756 8.370 -0.000 0.000 0.464 259 G N 0.935 109.595 108.800 -0.233 0.000 2.469 259 G HA2 -0.300 3.671 3.960 0.018 0.000 0.219 259 G HA3 -0.300 3.671 3.960 0.018 0.000 0.219 259 G C 1.751 176.466 174.900 -0.308 0.000 1.150 259 G CA 0.480 45.153 45.100 -0.713 0.000 0.763 259 G HN 0.199 8.489 8.290 -0.000 0.000 0.561 260 R N 0.088 120.501 120.500 -0.146 0.000 2.083 260 R HA -0.097 4.253 4.340 0.018 0.000 0.237 260 R C 2.978 179.196 176.300 -0.136 0.000 1.137 260 R CA 1.550 57.625 56.100 -0.043 0.000 0.951 260 R CB -0.631 29.690 30.300 0.036 0.000 0.851 260 R HN 0.440 8.710 8.270 -0.000 0.000 0.434 261 S N 0.879 116.529 115.700 -0.082 0.000 2.359 261 S HA -0.180 4.301 4.470 0.018 0.000 0.223 261 S C 1.939 176.479 174.600 -0.100 0.000 1.039 261 S CA 1.477 59.660 58.200 -0.029 0.000 1.042 261 S CB -0.295 63.021 63.200 0.193 0.000 0.915 261 S HN 0.248 8.558 8.310 -0.000 0.000 0.439 262 L N 1.358 122.388 121.223 -0.322 0.000 1.976 262 L HA 0.037 4.388 4.340 0.018 0.000 0.209 262 L C 2.271 179.057 176.870 -0.141 0.000 1.071 262 L CA 2.033 56.591 54.840 -0.471 0.000 0.746 262 L CB -1.197 40.401 42.059 -0.769 0.000 0.890 262 L HN 0.473 8.703 8.230 -0.000 0.000 0.432 263 L N -0.560 120.633 121.223 -0.050 0.000 2.013 263 L HA -0.234 4.117 4.340 0.018 0.000 0.212 263 L C 2.810 179.637 176.870 -0.071 0.000 1.073 263 L CA 2.243 57.099 54.840 0.027 0.000 0.753 263 L CB -1.213 40.831 42.059 -0.024 0.000 0.890 263 L HN 0.592 8.822 8.230 -0.000 0.000 0.432 264 S N -1.095 114.375 115.700 -0.383 0.000 2.380 264 S HA -0.335 4.146 4.470 0.018 0.000 0.229 264 S C 1.931 176.389 174.600 -0.237 0.000 1.043 264 S CA 2.120 59.885 58.200 -0.725 0.000 1.038 264 S CB -0.352 62.321 63.200 -0.878 0.000 0.872 264 S HN 0.752 9.062 8.310 -0.000 0.000 0.456 265 Q N -0.467 119.278 119.800 -0.091 0.000 2.269 265 Q HA 0.193 4.544 4.340 0.018 0.000 0.201 265 Q C 2.326 178.374 176.000 0.079 0.000 0.946 265 Q CA 1.013 56.843 55.803 0.045 0.000 0.877 265 Q CB -0.128 28.653 28.738 0.071 0.000 0.963 265 Q HN 0.624 8.894 8.270 -0.000 0.000 0.472 266 M N 0.113 119.741 119.600 0.048 0.000 2.229 266 M HA -0.086 4.404 4.480 0.018 0.000 0.264 266 M C 1.189 177.519 176.300 0.049 0.000 1.063 266 M CA 1.243 56.583 55.300 0.067 0.000 1.114 266 M CB 0.093 32.730 32.600 0.063 0.000 1.387 266 M HN 0.154 8.444 8.290 -0.000 0.000 0.420 267 L N -0.785 120.428 121.223 -0.017 0.000 2.791 267 L HA 0.154 4.505 4.340 0.018 0.000 0.239 267 L C 0.602 177.537 176.870 0.108 0.000 1.203 267 L CA -0.451 54.319 54.840 -0.117 0.000 1.002 267 L CB -0.635 41.286 42.059 -0.230 0.000 1.295 267 L HN 0.202 8.432 8.230 -0.000 0.000 0.504 268 H N -0.267 118.837 119.070 0.057 0.000 2.886 268 H HA -0.049 4.518 4.556 0.018 0.000 0.329 268 H C 0.511 175.818 175.328 -0.035 0.000 1.044 268 H CA 0.611 56.673 56.048 0.025 0.000 1.456 268 H CB 0.868 30.634 29.762 0.007 0.000 1.464 268 H HN 0.099 8.379 8.280 -0.000 0.000 0.573 269 Y N 1.702 121.989 120.300 -0.023 0.000 2.165 269 Y HA -0.198 4.362 4.550 0.017 0.000 0.286 269 Y C 1.414 176.616 175.900 -1.163 0.000 1.155 269 Y CA 1.620 59.468 58.100 -0.420 0.000 1.164 269 Y CB 0.084 38.417 38.460 -0.212 0.000 0.978 269 Y HN 0.579 8.859 8.280 -0.000 0.000 0.513 270 D N 0.970 121.111 120.400 -0.433 0.000 2.338 270 D HA 0.033 4.684 4.640 0.018 0.000 0.255 270 D C -1.743 174.390 176.300 -0.279 0.000 1.237 270 D CA -2.096 51.516 54.000 -0.646 0.000 0.883 270 D CB 1.114 41.840 40.800 -0.124 0.000 1.087 270 D HN 0.060 8.430 8.370 -0.000 0.000 0.485 271 P HA -0.185 4.235 4.420 -0.000 0.000 0.217 271 P C 0.979 178.271 177.300 -0.013 0.000 1.148 271 P CA 0.970 64.048 63.100 -0.037 0.000 0.828 271 P CB 0.529 32.267 31.700 0.065 0.000 0.783 272 N N 0.337 119.036 118.700 -0.001 0.000 1.997 272 N HA -0.155 4.596 4.740 0.018 0.000 0.198 272 N C 1.690 177.153 175.510 -0.078 0.000 1.063 272 N CA 1.543 54.588 53.050 -0.009 0.000 0.860 272 N CB -0.601 37.901 38.487 0.025 0.000 1.063 272 N HN 0.061 8.441 8.380 -0.000 0.000 0.424 273 K N 0.395 120.677 120.400 -0.196 0.000 2.360 273 K HA -0.101 4.229 4.320 0.018 0.000 0.201 273 K C 0.405 176.833 176.600 -0.287 0.000 1.046 273 K CA 0.285 56.361 56.287 -0.352 0.000 0.940 273 K CB -0.015 31.987 32.500 -0.830 0.000 0.748 273 K HN 0.181 8.431 8.250 -0.000 0.000 0.465 274 R N 1.930 122.334 120.500 -0.160 0.000 2.449 274 R HA 0.064 4.415 4.340 0.018 0.000 0.296 274 R C 0.027 176.350 176.300 0.038 0.000 1.047 274 R CA -0.093 56.008 56.100 0.000 0.000 1.018 274 R CB 0.224 30.571 30.300 0.078 0.000 0.962 274 R HN 0.099 8.369 8.270 -0.000 0.000 0.428 275 I N 3.338 123.949 120.570 0.069 0.000 2.948 275 I HA -0.111 4.070 4.170 0.018 0.000 0.290 275 I C 0.150 176.331 176.117 0.107 0.000 1.226 275 I CA 0.673 62.026 61.300 0.088 0.000 1.413 275 I CB 0.698 38.767 38.000 0.115 0.000 1.352 275 I HN 0.809 9.019 8.210 -0.000 0.000 0.597 276 S N 5.663 121.430 115.700 0.111 0.000 2.578 276 S HA 0.518 4.999 4.470 0.018 0.000 0.283 276 S C 0.929 175.609 174.600 0.133 0.000 1.195 276 S CA -0.264 58.016 58.200 0.135 0.000 1.050 276 S CB 1.775 65.050 63.200 0.126 0.000 1.012 276 S HN 0.854 9.164 8.310 -0.000 0.000 0.511 277 A N 2.536 125.441 122.820 0.142 0.000 1.915 277 A HA -0.229 4.102 4.320 0.018 0.000 0.220 277 A C 2.135 179.743 177.584 0.041 0.000 1.198 277 A CA 2.324 54.398 52.037 0.061 0.000 0.647 277 A CB -1.158 17.838 19.000 -0.006 0.000 0.825 277 A HN 0.980 9.130 8.150 -0.000 0.000 0.456 278 K N -0.661 119.781 120.400 0.071 0.000 1.991 278 K HA -0.124 4.207 4.320 0.018 0.000 0.212 278 K C 2.208 178.856 176.600 0.079 0.000 1.049 278 K CA 1.588 57.912 56.287 0.062 0.000 0.932 278 K CB -0.406 32.142 32.500 0.081 0.000 0.717 278 K HN 0.398 8.648 8.250 -0.000 0.000 0.441 279 A N 0.764 123.645 122.820 0.102 0.000 1.902 279 A HA -0.098 4.233 4.320 0.018 0.000 0.217 279 A C 2.337 180.026 177.584 0.175 0.000 1.181 279 A CA 1.921 54.031 52.037 0.122 0.000 0.623 279 A CB -0.990 18.079 19.000 0.114 0.000 0.818 279 A HN 0.501 8.651 8.150 -0.000 0.000 0.443 280 A N -0.055 122.877 122.820 0.187 0.000 1.948 280 A HA -0.135 4.196 4.320 0.018 0.000 0.220 280 A C 2.100 179.921 177.584 0.395 0.000 1.177 280 A CA 1.621 53.830 52.037 0.286 0.000 0.636 280 A CB -0.724 18.412 19.000 0.227 0.000 0.815 280 A HN 0.512 8.662 8.150 -0.000 0.000 0.449 281 L N -1.068 120.274 121.223 0.198 0.000 2.187 281 L HA -0.210 4.140 4.340 0.018 0.000 0.213 281 L C 2.659 179.791 176.870 0.437 0.000 1.100 281 L CA 0.992 55.931 54.840 0.166 0.000 0.765 281 L CB -0.393 41.630 42.059 -0.061 0.000 0.904 281 L HN 0.439 8.669 8.230 -0.000 0.000 0.437 282 A N -2.268 120.756 122.820 0.339 0.000 2.278 282 A HA -0.045 4.286 4.320 0.018 0.000 0.212 282 A C 0.836 178.606 177.584 0.309 0.000 1.213 282 A CA -0.107 52.099 52.037 0.282 0.000 0.840 282 A CB -0.671 18.434 19.000 0.175 0.000 0.866 282 A HN 0.302 8.452 8.150 -0.000 0.000 0.489 283 H N 0.594 119.889 119.070 0.376 0.000 2.683 283 H HA 0.151 4.717 4.556 0.018 0.000 0.339 283 H C -1.814 173.632 175.328 0.197 0.000 1.081 283 H CA -1.512 54.696 56.048 0.266 0.000 1.432 283 H CB 1.324 31.244 29.762 0.263 0.000 1.462 283 H HN 0.009 8.289 8.280 -0.000 0.000 0.557 284 P HA -0.200 4.220 4.420 -0.000 0.000 0.218 284 P C 1.455 178.865 177.300 0.184 0.000 1.146 284 P CA 0.860 63.993 63.100 0.054 0.000 0.813 284 P CB -0.195 31.471 31.700 -0.058 0.000 0.778 285 F N 0.038 120.123 119.950 0.226 0.000 2.115 285 F HA -0.206 4.331 4.527 0.018 0.000 0.300 285 F C 1.531 177.141 175.800 -0.317 0.000 1.092 285 F CA 1.555 59.457 58.000 -0.163 0.000 1.245 285 F CB -0.918 37.778 39.000 -0.507 0.000 0.995 285 F HN -0.168 8.132 8.300 -0.000 0.000 0.481 286 F N 0.997 120.916 119.950 -0.051 0.000 2.797 286 F HA 0.062 4.599 4.527 0.018 0.000 0.302 286 F C 2.267 177.906 175.800 -0.269 0.000 1.130 286 F CA 0.430 58.247 58.000 -0.304 0.000 1.387 286 F CB -1.418 37.423 39.000 -0.264 0.000 1.107 286 F HN 0.174 8.474 8.300 -0.000 0.000 0.577 287 Q N 1.083 120.870 119.800 -0.022 0.000 2.290 287 Q HA -0.245 4.106 4.340 0.018 0.000 0.211 287 Q C 0.377 176.329 176.000 -0.081 0.000 0.991 287 Q CA 2.107 57.891 55.803 -0.031 0.000 0.893 287 Q CB -0.592 28.137 28.738 -0.015 0.000 0.913 287 Q HN 0.531 8.801 8.270 -0.000 0.000 0.428 288 D N -0.215 120.108 120.400 -0.128 0.000 2.673 288 D HA 0.102 4.752 4.640 0.018 0.000 0.278 288 D C -0.261 175.941 176.300 -0.162 0.000 1.393 288 D CA -0.497 53.428 54.000 -0.125 0.000 0.805 288 D CB 0.047 40.786 40.800 -0.101 0.000 1.110 288 D HN 0.113 8.483 8.370 -0.000 0.000 0.476 289 V N 2.033 121.813 119.914 -0.224 0.000 2.655 289 V HA 0.309 4.439 4.120 0.018 0.000 0.300 289 V C 0.456 176.429 176.094 -0.200 0.000 1.044 289 V CA 0.758 62.905 62.300 -0.256 0.000 1.095 289 V CB 0.802 32.362 31.823 -0.438 0.000 0.952 289 V HN 0.532 8.722 8.190 -0.000 0.000 0.485 290 T N 3.773 118.245 114.554 -0.137 0.000 2.841 290 T HA 0.604 4.965 4.350 0.018 0.000 0.276 290 T C -0.476 174.185 174.700 -0.065 0.000 1.003 290 T CA -0.914 61.130 62.100 -0.092 0.000 0.995 290 T CB 1.570 70.400 68.868 -0.065 0.000 1.260 290 T HN 0.557 8.797 8.240 -0.000 0.000 0.581 291 K N 2.242 122.623 120.400 -0.032 0.000 2.762 291 K HA 0.389 4.720 4.320 0.018 0.000 0.180 291 K C -2.442 174.148 176.600 -0.017 0.000 1.067 291 K CA -1.603 54.682 56.287 -0.004 0.000 0.973 291 K CB 0.957 33.480 32.500 0.038 0.000 1.290 291 K HN 0.492 8.742 8.250 -0.000 0.000 0.604 292 P HA 0.130 4.550 4.420 -0.000 0.000 0.277 292 P C -0.105 177.164 177.300 -0.051 0.000 1.271 292 P CA -0.548 62.528 63.100 -0.041 0.000 0.795 292 P CB 0.796 32.471 31.700 -0.042 0.000 1.101 293 V N 2.041 121.933 119.914 -0.037 0.000 2.775 293 V HA 0.169 4.300 4.120 0.018 0.000 0.299 293 V C -1.383 174.674 176.094 -0.061 0.000 1.062 293 V CA -1.058 61.214 62.300 -0.046 0.000 1.063 293 V CB 0.114 31.922 31.823 -0.023 0.000 0.994 293 V HN 0.684 8.874 8.190 -0.000 0.000 0.483 294 P HA 0.225 4.645 4.420 -0.000 0.000 0.277 294 P C -1.114 176.170 177.300 -0.026 0.000 1.276 294 P CA -0.347 62.635 63.100 -0.196 0.000 0.788 294 P CB 0.290 31.723 31.700 -0.446 0.000 1.114 295 H N -1.284 117.889 119.070 0.173 0.000 2.683 295 H HA 0.681 5.248 4.556 0.018 0.000 0.270 295 H C -0.330 175.112 175.328 0.190 0.000 1.201 295 H CA -0.893 55.240 56.048 0.141 0.000 1.277 295 H CB 0.073 29.896 29.762 0.102 0.000 1.400 295 H HN 0.128 8.408 8.280 -0.000 0.000 0.504 296 L N 0.000 121.319 121.223 0.159 0.000 2.949 296 L HA 0.000 4.351 4.340 0.018 0.000 0.249 296 L CA 0.000 54.923 54.840 0.139 0.000 0.813 296 L CB 0.000 42.123 42.059 0.106 0.000 0.961 296 L HN 0.000 8.230 8.230 -0.000 0.000 0.502