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 1igb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPPITQQATV TAWLPQVDAS QITGTISSLE SFTNRFYTTT SGAQASDWIA DATA SEQUENCE SEWQALSASL PNASVKQVSH SGYNQKSVVM TITGSEAPDE WIVIGGHLDS DATA SEQUENCE TIGSHTNEQS VAPGADDDAS GIAAVTEVIR VLSENNFQPK RSIAFMAYAA DATA SEQUENCE EEVGLRGSQD LANQYKSEGK NVVSALQLDM TNYKGSAQDV VFITDYTDSN DATA SEQUENCE FTQYLTQLMD EYLPSLTYGF DTcGYAcSDH ASWHNAGYPA AMPFESKFND DATA SEQUENCE YNPRIHTTQD TLANSDPTGS HAKKFTQLGL AYAIEMGSAT G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.180 176.300 -0.200 0.000 1.140 1 M CA 0.000 55.096 55.300 -0.340 0.000 0.988 1 M CB 0.000 32.438 32.600 -0.269 0.000 1.302 2 P HA 0.505 4.925 4.420 0.000 0.000 0.272 2 P C -2.385 174.986 177.300 0.118 0.000 1.223 2 P CA -0.491 62.599 63.100 -0.018 0.000 0.784 2 P CB -0.430 31.260 31.700 -0.016 0.000 0.923 3 P HA -0.020 4.400 4.420 0.000 0.000 0.271 3 P C -1.682 175.696 177.300 0.131 0.000 1.233 3 P CA -0.587 62.578 63.100 0.109 0.000 0.789 3 P CB 0.947 32.681 31.700 0.057 0.000 0.951 4 I N -1.338 119.294 120.570 0.104 0.000 2.322 4 I HA 0.003 4.173 4.170 0.000 0.000 0.292 4 I C 0.320 176.481 176.117 0.073 0.000 1.060 4 I CA 0.252 61.614 61.300 0.103 0.000 1.309 4 I CB 0.071 38.081 38.000 0.017 0.000 1.415 4 I HN -0.045 8.208 8.210 0.071 0.000 0.492 5 T N 4.160 118.771 114.554 0.094 0.000 3.016 5 T HA 0.300 4.650 4.350 0.000 0.000 0.271 5 T C 0.901 175.635 174.700 0.057 0.000 0.968 5 T CA -0.002 62.133 62.100 0.060 0.000 0.891 5 T CB 1.006 69.898 68.868 0.039 0.000 1.149 5 T HN 0.241 8.902 8.240 0.122 -0.348 0.524 6 Q N 0.655 120.503 119.800 0.081 0.000 2.217 6 Q HA 0.378 4.718 4.340 0.000 0.000 0.226 6 Q C 1.192 177.196 176.000 0.007 0.000 0.875 6 Q CA -1.908 53.903 55.803 0.013 0.000 0.974 6 Q CB -1.350 27.364 28.738 -0.039 0.000 1.079 6 Q HN -0.322 8.477 8.270 0.131 -0.450 0.463 7 Q N 0.550 120.410 119.800 0.101 0.000 2.197 7 Q HA -0.329 4.011 4.340 0.000 0.000 0.207 7 Q C 1.518 177.525 176.000 0.012 0.000 0.984 7 Q CA 3.881 59.771 55.803 0.145 0.000 0.869 7 Q CB -1.109 27.707 28.738 0.130 0.000 0.906 7 Q HN 0.393 8.654 8.270 0.102 0.071 0.426 8 A N -2.117 120.674 122.820 -0.048 0.000 1.898 8 A HA -0.166 4.154 4.320 0.000 0.000 0.216 8 A C 2.186 179.655 177.584 -0.192 0.000 1.181 8 A CA 2.620 54.608 52.037 -0.081 0.000 0.620 8 A CB -0.956 18.004 19.000 -0.066 0.000 0.819 8 A HN 0.355 8.481 8.150 -0.040 0.000 0.442 9 T N 2.371 116.734 114.554 -0.318 0.000 2.770 9 T HA -0.185 4.165 4.350 0.000 0.000 0.258 9 T C 1.950 176.228 174.700 -0.704 0.000 1.039 9 T CA 3.802 65.487 62.100 -0.692 0.000 1.143 9 T CB -0.317 68.087 68.868 -0.773 0.000 0.866 9 T HN -0.601 7.494 8.240 -0.243 0.000 0.428 10 V N 1.150 120.788 119.914 -0.461 0.000 2.255 10 V HA -0.445 3.675 4.120 0.000 0.000 0.247 10 V C 1.653 177.588 176.094 -0.265 0.000 1.051 10 V CA 4.761 66.803 62.300 -0.430 0.000 1.018 10 V CB -0.721 30.676 31.823 -0.710 0.000 0.641 10 V HN 0.450 8.425 8.190 -0.358 0.000 0.445 11 T N -2.605 111.866 114.554 -0.138 0.000 2.962 11 T HA -0.186 4.164 4.350 0.000 0.000 0.270 11 T C 1.047 175.745 174.700 -0.003 0.000 1.088 11 T CA 3.395 65.479 62.100 -0.026 0.000 1.127 11 T CB -0.512 68.384 68.868 0.046 0.000 0.883 11 T HN -0.159 8.018 8.240 -0.105 0.000 0.493 12 A N 0.320 123.121 122.820 -0.031 0.000 1.970 12 A HA 0.004 4.324 4.320 0.000 0.000 0.216 12 A C 0.656 178.404 177.584 0.274 0.000 1.170 12 A CA 1.560 53.646 52.037 0.081 0.000 0.645 12 A CB -0.205 18.827 19.000 0.054 0.000 0.816 12 A HN -0.364 7.681 8.150 -0.131 0.027 0.447 13 W N -3.750 117.510 121.300 -0.067 0.000 2.630 13 W HA 0.185 4.845 4.660 0.000 0.000 0.271 13 W C 1.920 178.386 176.519 -0.088 0.000 1.244 13 W CA -0.133 57.162 57.345 -0.083 0.000 1.353 13 W CB 0.067 29.452 29.460 -0.125 0.000 1.080 13 W HN -0.418 7.788 8.180 0.044 0.000 0.594 14 L N 0.848 122.131 121.223 0.099 0.000 2.081 14 L HA -0.257 4.083 4.340 0.000 0.000 0.212 14 L C -0.931 175.962 176.870 0.040 0.000 1.080 14 L CA 5.228 60.085 54.840 0.029 0.000 0.754 14 L CB -2.510 39.532 42.059 -0.028 0.000 0.893 14 L HN 0.448 8.709 8.230 0.051 0.000 0.433 15 P HA -0.278 4.142 4.420 0.000 0.000 0.218 15 P C 0.646 177.964 177.300 0.031 0.000 1.146 15 P CA 2.197 65.322 63.100 0.042 0.000 0.820 15 P CB -0.298 31.432 31.700 0.051 0.000 0.778 16 Q N -4.656 115.162 119.800 0.030 0.000 2.425 16 Q HA -0.030 4.310 4.340 0.000 0.000 0.204 16 Q C 0.064 176.059 176.000 -0.009 0.000 0.933 16 Q CA -0.128 55.674 55.803 -0.001 0.000 0.939 16 Q CB 0.528 29.245 28.738 -0.036 0.000 1.044 16 Q HN -0.413 7.730 8.270 0.052 0.158 0.513 17 V N 1.198 121.115 119.914 0.004 0.000 2.599 17 V HA -0.291 3.829 4.120 0.000 0.000 0.300 17 V C -1.122 174.978 176.094 0.010 0.000 1.034 17 V CA 1.845 64.149 62.300 0.005 0.000 1.115 17 V CB -0.404 31.428 31.823 0.016 0.000 0.934 17 V HN -0.713 7.443 8.190 0.015 0.044 0.485 18 D N 6.786 127.193 120.400 0.012 0.000 2.505 18 D HA 0.245 4.885 4.640 0.000 0.000 0.250 18 D C -0.270 176.046 176.300 0.027 0.000 1.164 18 D CA -1.710 52.299 54.000 0.016 0.000 0.870 18 D CB 3.131 43.936 40.800 0.008 0.000 1.160 18 D HN -0.076 8.591 8.370 0.010 -0.292 0.549 19 A N 5.695 128.534 122.820 0.031 0.000 1.978 19 A HA -0.280 4.040 4.320 0.000 0.000 0.220 19 A C 1.330 178.937 177.584 0.039 0.000 1.170 19 A CA 2.949 55.009 52.037 0.039 0.000 0.636 19 A CB -0.215 18.808 19.000 0.037 0.000 0.810 19 A HN 0.663 8.829 8.150 0.027 0.000 0.448 20 S N -2.734 112.986 115.700 0.033 0.000 2.406 20 S HA -0.343 4.127 4.470 0.000 0.000 0.228 20 S C 2.408 177.033 174.600 0.042 0.000 1.020 20 S CA 2.823 61.044 58.200 0.034 0.000 0.965 20 S CB -0.315 62.901 63.200 0.027 0.000 0.798 20 S HN -0.416 8.092 8.310 0.028 -0.181 0.488 21 Q N 2.086 121.911 119.800 0.041 0.000 2.124 21 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 21 Q C 2.220 178.264 176.000 0.073 0.000 0.977 21 Q CA 2.835 58.669 55.803 0.053 0.000 0.850 21 Q CB -0.414 28.346 28.738 0.036 0.000 0.901 21 Q HN -0.670 7.763 8.270 0.033 -0.144 0.429 22 I N -1.010 119.600 120.570 0.067 0.000 2.286 22 I HA -0.399 3.771 4.170 0.000 0.000 0.245 22 I C 1.734 177.899 176.117 0.078 0.000 1.104 22 I CA 3.941 65.289 61.300 0.079 0.000 1.397 22 I CB -0.027 38.015 38.000 0.071 0.000 1.072 22 I HN -0.498 7.651 8.210 0.055 0.094 0.417 23 T N -1.996 112.596 114.554 0.062 0.000 2.995 23 T HA -0.133 4.217 4.350 0.000 0.000 0.269 23 T C 2.063 176.796 174.700 0.054 0.000 1.091 23 T CA 4.002 66.133 62.100 0.053 0.000 1.128 23 T CB -0.913 67.980 68.868 0.041 0.000 0.891 23 T HN 0.270 8.543 8.240 0.056 0.000 0.492 24 G N 2.480 111.320 108.800 0.067 0.000 2.421 24 G HA2 -0.375 3.585 3.960 0.000 0.000 0.216 24 G HA3 -0.375 3.585 3.960 0.000 0.000 0.216 24 G C 0.670 175.638 174.900 0.114 0.000 1.171 24 G CA 2.366 47.514 45.100 0.079 0.000 0.775 24 G HN -0.265 8.044 8.290 0.066 0.021 0.543 25 T N 5.314 119.965 114.554 0.162 0.000 2.737 25 T HA -0.274 4.076 4.350 0.000 0.000 0.265 25 T C 2.301 177.069 174.700 0.114 0.000 1.038 25 T CA 5.056 67.298 62.100 0.237 0.000 1.144 25 T CB -0.414 68.630 68.868 0.294 0.000 0.866 25 T HN -0.490 7.838 8.240 0.147 0.000 0.434 26 I N 0.727 121.345 120.570 0.079 0.000 2.264 26 I HA -0.571 3.599 4.170 0.000 0.000 0.248 26 I C 1.344 177.457 176.117 -0.006 0.000 1.111 26 I CA 4.207 65.531 61.300 0.040 0.000 1.382 26 I CB -0.336 37.688 38.000 0.040 0.000 1.060 26 I HN -0.356 7.908 8.210 0.089 0.000 0.418 27 S N -0.140 115.552 115.700 -0.013 0.000 2.387 27 S HA -0.330 4.140 4.470 0.000 0.000 0.226 27 S C 2.484 177.014 174.600 -0.117 0.000 1.026 27 S CA 3.243 61.415 58.200 -0.047 0.000 0.972 27 S CB -0.252 62.931 63.200 -0.029 0.000 0.814 27 S HN -0.191 8.126 8.310 0.012 0.000 0.477 28 S N 4.037 119.641 115.700 -0.160 0.000 2.370 28 S HA -0.286 4.184 4.470 0.000 0.000 0.226 28 S C 2.414 176.741 174.600 -0.455 0.000 1.033 28 S CA 2.975 60.950 58.200 -0.374 0.000 1.011 28 S CB -0.049 62.845 63.200 -0.509 0.000 0.852 28 S HN -0.619 7.642 8.310 -0.083 0.000 0.457 29 L N 0.374 121.435 121.223 -0.271 0.000 2.072 29 L HA -0.220 4.120 4.340 0.000 0.000 0.205 29 L C 1.550 178.466 176.870 0.076 0.000 1.079 29 L CA 2.619 57.447 54.840 -0.021 0.000 0.752 29 L CB 0.240 42.311 42.059 0.020 0.000 0.906 29 L HN -0.242 7.869 8.230 -0.199 0.000 0.436 30 E N -1.248 118.949 120.200 -0.006 0.000 2.472 30 E HA -0.246 4.104 4.350 0.000 0.000 0.200 30 E C 0.822 177.400 176.600 -0.037 0.000 1.046 30 E CA 2.200 58.605 56.400 0.007 0.000 0.871 30 E CB -0.771 28.926 29.700 -0.006 0.000 0.806 30 E HN 0.097 8.436 8.360 -0.035 0.000 0.533 31 S N -1.480 114.134 115.700 -0.144 0.000 2.561 31 S HA -0.154 4.316 4.470 0.000 0.000 0.225 31 S C 0.300 174.723 174.600 -0.294 0.000 0.977 31 S CA 0.328 58.391 58.200 -0.229 0.000 0.926 31 S CB 0.388 63.398 63.200 -0.317 0.000 0.769 31 S HN -0.680 7.462 8.310 -0.182 0.058 0.533 32 F N 2.987 122.870 119.950 -0.112 0.000 2.484 32 F HA -0.018 4.509 4.527 0.000 0.000 0.360 32 F C 0.938 176.713 175.800 -0.041 0.000 1.101 32 F CA 1.198 59.153 58.000 -0.076 0.000 1.251 32 F CB 0.771 39.728 39.000 -0.072 0.000 1.132 32 F HN -0.686 7.558 8.300 -0.033 0.036 0.570 33 T N 2.372 117.008 114.554 0.137 0.000 2.684 33 T HA -0.209 4.141 4.350 0.000 0.000 0.267 33 T C -1.125 173.626 174.700 0.086 0.000 1.036 33 T CA 3.022 65.167 62.100 0.075 0.000 1.148 33 T CB 0.082 68.984 68.868 0.058 0.000 0.863 33 T HN 0.503 8.838 8.240 0.158 0.000 0.436 34 N N -1.486 117.286 118.700 0.120 0.000 3.020 34 N HA 0.274 5.014 4.740 0.000 0.000 0.248 34 N C -1.677 173.912 175.510 0.132 0.000 1.480 34 N CA -0.140 52.979 53.050 0.114 0.000 0.874 34 N CB 2.416 40.954 38.487 0.086 0.000 1.433 34 N HN -0.872 7.596 8.380 0.147 0.000 0.530 35 R N -3.623 116.957 120.500 0.133 0.000 2.734 35 R HA 0.308 4.648 4.340 0.000 0.000 0.395 35 R C -0.075 176.325 176.300 0.166 0.000 1.096 35 R CA -1.264 54.889 56.100 0.088 0.000 1.071 35 R CB 0.823 31.135 30.300 0.020 0.000 1.348 35 R HN 0.153 8.514 8.270 0.152 0.000 0.600 36 F N 2.891 122.867 119.950 0.042 0.000 2.506 36 F HA -0.152 4.375 4.527 0.000 0.000 0.351 36 F C 0.329 176.182 175.800 0.089 0.000 1.136 36 F CA -0.558 57.486 58.000 0.074 0.000 1.298 36 F CB 1.867 40.903 39.000 0.061 0.000 1.145 36 F HN 0.256 9.139 8.300 0.309 -0.397 0.593 37 Y N 3.080 123.040 120.300 -0.567 0.000 2.256 37 Y HA -0.293 4.256 4.550 0.000 0.000 0.288 37 Y C -0.318 175.420 175.900 -0.269 0.000 1.155 37 Y CA 2.299 60.112 58.100 -0.478 0.000 1.203 37 Y CB -1.258 36.705 38.460 -0.828 0.000 0.980 37 Y HN 0.569 8.586 8.280 -0.439 0.000 0.530 38 T N -9.140 104.969 114.554 -0.740 0.000 3.122 38 T HA 0.023 4.373 4.350 0.000 0.000 0.250 38 T C 0.389 175.047 174.700 -0.071 0.000 1.067 38 T CA -0.688 61.152 62.100 -0.433 0.000 0.966 38 T CB -1.099 67.437 68.868 -0.554 0.000 1.002 38 T HN -0.069 7.599 8.240 -0.922 0.019 0.542 39 T N -0.337 114.245 114.554 0.047 0.000 2.936 39 T HA 0.367 4.717 4.350 0.000 0.000 0.282 39 T C 1.530 176.261 174.700 0.052 0.000 1.003 39 T CA -1.745 60.402 62.100 0.078 0.000 1.005 39 T CB 3.016 71.966 68.868 0.137 0.000 1.097 39 T HN -0.570 7.708 8.240 0.064 0.000 0.532 40 T N -1.368 113.218 114.554 0.053 0.000 2.857 40 T HA -0.144 4.206 4.350 0.000 0.000 0.266 40 T C 1.663 176.400 174.700 0.061 0.000 1.048 40 T CA 3.637 65.767 62.100 0.050 0.000 1.139 40 T CB -0.321 68.578 68.868 0.051 0.000 0.874 40 T HN 0.187 8.624 8.240 0.055 -0.164 0.455 41 S N 2.311 118.062 115.700 0.086 0.000 2.428 41 S HA -0.232 4.238 4.470 0.000 0.000 0.230 41 S C 2.013 176.604 174.600 -0.014 0.000 1.014 41 S CA 2.499 60.770 58.200 0.117 0.000 0.957 41 S CB -0.608 62.713 63.200 0.203 0.000 0.784 41 S HN 0.002 8.366 8.310 0.090 0.000 0.499 42 G N 1.138 109.948 108.800 0.018 0.000 2.476 42 G HA2 -0.349 3.611 3.960 0.000 0.000 0.218 42 G HA3 -0.349 3.611 3.960 0.000 0.000 0.218 42 G C 0.314 175.185 174.900 -0.049 0.000 1.164 42 G CA 1.921 47.017 45.100 -0.006 0.000 0.768 42 G HN -0.514 7.805 8.290 0.062 0.008 0.560 43 A N 0.793 123.601 122.820 -0.020 0.000 1.929 43 A HA -0.159 4.161 4.320 0.000 0.000 0.216 43 A C 2.318 179.869 177.584 -0.055 0.000 1.176 43 A CA 2.376 54.403 52.037 -0.017 0.000 0.628 43 A CB -0.679 18.330 19.000 0.015 0.000 0.816 43 A HN -0.660 7.407 8.150 0.005 0.087 0.444 44 Q N -0.840 118.923 119.800 -0.061 0.000 2.084 44 Q HA -0.417 3.923 4.340 0.000 0.000 0.202 44 Q C 2.383 178.237 176.000 -0.243 0.000 0.978 44 Q CA 2.950 58.728 55.803 -0.042 0.000 0.844 44 Q CB -0.089 28.729 28.738 0.133 0.000 0.898 44 Q HN -0.136 8.116 8.270 -0.029 0.000 0.426 45 A N -0.819 121.591 122.820 -0.682 0.000 1.903 45 A HA -0.405 3.915 4.320 0.000 0.000 0.219 45 A C 1.703 179.110 177.584 -0.294 0.000 1.191 45 A CA 3.215 54.722 52.037 -0.883 0.000 0.638 45 A CB -1.105 17.442 19.000 -0.756 0.000 0.823 45 A HN -0.143 7.633 8.150 -0.624 0.000 0.451 46 S N -3.238 112.349 115.700 -0.189 0.000 2.383 46 S HA -0.353 4.117 4.470 0.000 0.000 0.229 46 S C 1.529 176.070 174.600 -0.097 0.000 1.030 46 S CA 3.355 61.485 58.200 -0.118 0.000 1.002 46 S CB -0.359 62.804 63.200 -0.061 0.000 0.829 46 S HN -0.378 7.815 8.310 -0.194 0.001 0.467 47 D N 1.939 122.313 120.400 -0.044 0.000 2.149 47 D HA -0.185 4.455 4.640 0.000 0.000 0.201 47 D C 1.875 178.186 176.300 0.017 0.000 0.972 47 D CA 2.867 56.863 54.000 -0.007 0.000 0.835 47 D CB -0.564 40.261 40.800 0.042 0.000 0.966 47 D HN -0.850 7.387 8.370 -0.048 0.104 0.476 48 W N 1.414 122.669 121.300 -0.075 0.000 2.335 48 W HA -0.377 4.283 4.660 0.000 0.000 0.311 48 W C 1.720 178.169 176.519 -0.118 0.000 1.213 48 W CA 4.573 61.909 57.345 -0.014 0.000 1.274 48 W CB 0.103 29.642 29.460 0.131 0.000 1.148 48 W HN -0.266 8.045 8.180 0.219 0.000 0.498 49 I N -1.785 118.674 120.570 -0.186 0.000 2.179 49 I HA -0.702 3.468 4.170 0.000 0.000 0.242 49 I C 1.678 177.342 176.117 -0.755 0.000 1.088 49 I CA 4.130 65.068 61.300 -0.603 0.000 1.357 49 I CB -0.331 37.313 38.000 -0.594 0.000 1.051 49 I HN -0.608 7.605 8.210 0.005 0.000 0.409 50 A N -1.418 121.131 122.820 -0.452 0.000 1.917 50 A HA -0.464 3.856 4.320 0.000 0.000 0.219 50 A C 1.993 179.478 177.584 -0.164 0.000 1.182 50 A CA 3.335 55.220 52.037 -0.253 0.000 0.633 50 A CB -1.191 17.726 19.000 -0.139 0.000 0.819 50 A HN -0.363 7.582 8.150 -0.342 0.000 0.448 51 S N -2.118 113.451 115.700 -0.218 0.000 2.368 51 S HA -0.357 4.113 4.470 0.000 0.000 0.224 51 S C 2.282 176.756 174.600 -0.211 0.000 1.029 51 S CA 3.187 61.274 58.200 -0.187 0.000 0.988 51 S CB -0.205 62.875 63.200 -0.201 0.000 0.838 51 S HN -0.513 7.632 8.310 -0.253 0.013 0.462 52 E N 2.037 122.010 120.200 -0.380 0.000 2.047 52 E HA -0.238 4.112 4.350 0.000 0.000 0.191 52 E C 2.578 179.183 176.600 0.008 0.000 0.987 52 E CA 2.782 58.995 56.400 -0.311 0.000 0.799 52 E CB -0.428 28.890 29.700 -0.637 0.000 0.752 52 E HN -0.531 7.499 8.360 -0.550 0.000 0.449 53 W N -1.098 120.065 121.300 -0.227 0.000 2.374 53 W HA -0.188 4.472 4.660 0.000 0.000 0.288 53 W C 2.446 178.889 176.519 -0.127 0.000 1.218 53 W CA 1.617 58.860 57.345 -0.169 0.000 1.245 53 W CB -0.897 28.482 29.460 -0.135 0.000 1.126 53 W HN 0.345 8.519 8.180 -0.010 0.000 0.545 54 Q N -0.193 119.664 119.800 0.095 0.000 2.079 54 Q HA -0.351 3.989 4.340 0.000 0.000 0.200 54 Q C 2.192 178.195 176.000 0.005 0.000 0.974 54 Q CA 2.731 58.558 55.803 0.040 0.000 0.840 54 Q CB -0.900 27.848 28.738 0.017 0.000 0.898 54 Q HN -0.292 7.913 8.270 0.065 0.103 0.430 55 A N -1.074 121.736 122.820 -0.016 0.000 2.019 55 A HA -0.210 4.110 4.320 0.000 0.000 0.219 55 A C 1.571 179.137 177.584 -0.030 0.000 1.164 55 A CA 2.553 54.575 52.037 -0.026 0.000 0.644 55 A CB -0.720 18.256 19.000 -0.039 0.000 0.805 55 A HN -0.626 7.507 8.150 -0.028 0.000 0.449 56 L N -2.893 118.308 121.223 -0.036 0.000 2.007 56 L HA -0.152 4.188 4.340 0.000 0.000 0.205 56 L C 2.066 178.900 176.870 -0.060 0.000 1.073 56 L CA 1.992 56.794 54.840 -0.064 0.000 0.744 56 L CB -0.113 41.887 42.059 -0.100 0.000 0.898 56 L HN -0.776 7.413 8.230 -0.024 0.027 0.435 57 S N -0.352 115.321 115.700 -0.046 0.000 2.440 57 S HA -0.375 4.095 4.470 0.000 0.000 0.238 57 S C 1.532 176.124 174.600 -0.012 0.000 1.010 57 S CA 2.817 61.002 58.200 -0.026 0.000 0.972 57 S CB -0.049 63.152 63.200 0.002 0.000 0.774 57 S HN -0.209 8.080 8.310 -0.036 0.000 0.501 58 A N -0.035 122.777 122.820 -0.013 0.000 2.216 58 A HA -0.074 4.246 4.320 0.000 0.000 0.214 58 A C 1.319 178.896 177.584 -0.013 0.000 1.160 58 A CA 1.733 53.765 52.037 -0.009 0.000 0.725 58 A CB -0.227 18.767 19.000 -0.009 0.000 0.784 58 A HN -0.329 7.768 8.150 -0.017 0.043 0.472 59 S N -1.746 113.942 115.700 -0.021 0.000 2.371 59 S HA -0.134 4.336 4.470 0.000 0.000 0.219 59 S C 0.376 174.968 174.600 -0.013 0.000 1.040 59 S CA 1.025 59.212 58.200 -0.021 0.000 0.958 59 S CB 0.558 63.738 63.200 -0.034 0.000 0.860 59 S HN -0.799 7.459 8.310 -0.028 0.035 0.487 60 L N 2.951 124.167 121.223 -0.012 0.000 2.543 60 L HA -0.045 4.295 4.340 0.000 0.000 0.285 60 L C -1.614 175.259 176.870 0.004 0.000 1.236 60 L CA -1.016 53.825 54.840 0.001 0.000 0.871 60 L CB 0.275 42.338 42.059 0.007 0.000 1.121 60 L HN -0.351 7.868 8.230 -0.019 0.000 0.501 61 P HA -0.055 4.365 4.420 0.000 0.000 0.269 61 P C -1.145 176.149 177.300 -0.010 0.000 1.263 61 P CA 0.165 63.258 63.100 -0.012 0.000 0.813 61 P CB -0.234 31.448 31.700 -0.029 0.000 0.868 62 N N 0.561 119.261 118.700 0.001 0.000 2.746 62 N HA -0.467 4.273 4.740 0.000 0.000 0.250 62 N C -1.522 174.008 175.510 0.033 0.000 1.055 62 N CA 0.987 54.042 53.050 0.009 0.000 0.699 62 N CB -1.636 36.845 38.487 -0.010 0.000 0.919 62 N HN 0.266 8.647 8.380 0.002 0.000 0.548 63 A N -0.594 122.252 122.820 0.043 0.000 2.304 63 A HA 0.747 5.067 4.320 0.000 0.000 0.323 63 A C -1.489 176.141 177.584 0.076 0.000 1.195 63 A CA -1.044 51.034 52.037 0.068 0.000 0.826 63 A CB 2.203 21.234 19.000 0.051 0.000 1.184 63 A HN -0.355 7.813 8.150 0.031 0.000 0.496 64 S N 2.439 118.203 115.700 0.107 0.000 2.541 64 S HA 0.625 5.095 4.470 0.000 0.000 0.271 64 S C -1.684 172.998 174.600 0.137 0.000 1.133 64 S CA -1.082 57.180 58.200 0.104 0.000 0.876 64 S CB 2.587 65.844 63.200 0.095 0.000 1.105 64 S HN 0.187 8.579 8.310 0.137 0.000 0.470 65 V N 0.866 120.856 119.914 0.126 0.000 2.448 65 V HA 0.587 4.707 4.120 0.000 0.000 0.295 65 V C -0.988 175.178 176.094 0.120 0.000 1.025 65 V CA -0.680 61.716 62.300 0.161 0.000 0.859 65 V CB 0.779 32.697 31.823 0.157 0.000 0.988 65 V HN 0.629 8.878 8.190 0.097 0.000 0.431 66 K N 6.024 126.500 120.400 0.127 0.000 2.509 66 K HA 0.515 4.835 4.320 0.000 0.000 0.266 66 K C -2.406 174.234 176.600 0.067 0.000 0.987 66 K CA -1.956 54.380 56.287 0.082 0.000 0.868 66 K CB 3.582 36.127 32.500 0.075 0.000 1.421 66 K HN 0.971 9.324 8.250 0.171 0.000 0.444 67 Q N -0.958 118.861 119.800 0.032 0.000 2.353 67 Q HA 0.651 4.991 4.340 0.000 0.000 0.268 67 Q C -0.979 175.016 176.000 -0.008 0.000 1.045 67 Q CA -1.147 54.664 55.803 0.014 0.000 0.811 67 Q CB 3.035 31.771 28.738 -0.004 0.000 1.305 67 Q HN 0.137 8.422 8.270 0.025 0.000 0.447 68 V N 5.067 124.964 119.914 -0.028 0.000 2.394 68 V HA 0.302 4.422 4.120 0.000 0.000 0.282 68 V C -0.971 174.952 176.094 -0.286 0.000 1.031 68 V CA -0.919 61.307 62.300 -0.123 0.000 0.881 68 V CB 1.379 33.146 31.823 -0.093 0.000 0.982 68 V HN 0.753 8.837 8.190 0.005 0.109 0.451 69 S N 5.366 120.890 115.700 -0.293 0.000 2.632 69 S HA 0.481 4.951 4.470 0.000 0.000 0.271 69 S C -0.889 173.390 174.600 -0.534 0.000 1.260 69 S CA 0.099 58.112 58.200 -0.312 0.000 1.010 69 S CB 1.149 64.252 63.200 -0.161 0.000 0.965 69 S HN 0.310 8.496 8.310 -0.207 0.000 0.534 70 H N 1.285 120.237 119.070 -0.196 0.000 2.946 70 H HA 0.381 4.937 4.556 0.000 0.000 0.365 70 H C -0.918 174.127 175.328 -0.471 0.000 1.197 70 H CA -0.757 55.099 56.048 -0.320 0.000 1.131 70 H CB 3.489 32.988 29.762 -0.438 0.000 1.849 70 H HN 0.394 8.556 8.280 -0.197 0.000 0.555 71 S N 2.044 117.577 115.700 -0.279 0.000 2.480 71 S HA 0.197 4.667 4.470 0.000 0.000 0.286 71 S C 0.426 174.850 174.600 -0.294 0.000 1.180 71 S CA 0.363 58.422 58.200 -0.235 0.000 1.075 71 S CB 0.532 63.675 63.200 -0.095 0.000 0.996 71 S HN 0.691 8.905 8.310 -0.161 0.000 0.487 72 G N 4.667 113.361 108.800 -0.177 0.000 2.218 72 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 72 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 72 G C -1.324 173.636 174.900 0.100 0.000 0.994 72 G CA -0.304 44.809 45.100 0.021 0.000 0.637 72 G HN 0.667 8.864 8.290 -0.155 0.000 0.505 73 Y N -4.662 115.633 120.300 -0.008 0.000 2.677 73 Y HA 0.149 4.699 4.550 0.000 0.000 0.334 73 Y C -2.052 173.839 175.900 -0.014 0.000 1.196 73 Y CA -1.398 56.656 58.100 -0.076 0.000 1.059 73 Y CB 0.087 38.461 38.460 -0.143 0.000 1.315 73 Y HN -1.006 6.917 8.280 -0.490 0.062 0.455 74 N N -0.857 117.921 118.700 0.130 0.000 2.422 74 N HA -0.031 4.709 4.740 0.000 0.000 0.181 74 N C -0.406 175.183 175.510 0.131 0.000 1.080 74 N CA 0.546 53.644 53.050 0.080 0.000 0.893 74 N CB 1.068 39.577 38.487 0.037 0.000 0.973 74 N HN 0.365 8.813 8.380 0.113 0.000 0.456 75 Q N 0.781 120.729 119.800 0.248 0.000 2.304 75 Q HA -0.021 4.319 4.340 0.000 0.000 0.260 75 Q C -1.253 174.918 176.000 0.285 0.000 0.965 75 Q CA 0.154 56.081 55.803 0.206 0.000 0.898 75 Q CB 0.927 29.771 28.738 0.177 0.000 1.196 75 Q HN -0.815 7.676 8.270 0.368 0.000 0.402 76 K N 5.232 125.736 120.400 0.174 0.000 2.123 76 K HA 0.280 4.600 4.320 0.000 0.000 0.259 76 K C -0.864 175.839 176.600 0.173 0.000 0.960 76 K CA -1.222 55.163 56.287 0.164 0.000 0.872 76 K CB 1.770 34.299 32.500 0.048 0.000 1.079 76 K HN 0.244 8.556 8.250 0.104 0.000 0.440 77 S N 1.774 117.616 115.700 0.235 0.000 2.584 77 S HA 0.185 4.655 4.470 0.000 0.000 0.273 77 S C -1.139 173.503 174.600 0.071 0.000 1.311 77 S CA 0.282 58.593 58.200 0.186 0.000 1.034 77 S CB 1.138 64.525 63.200 0.312 0.000 0.939 77 S HN -0.064 8.402 8.310 0.260 0.000 0.513 78 V N 2.939 122.862 119.914 0.015 0.000 2.513 78 V HA 0.687 4.807 4.120 0.000 0.000 0.299 78 V C -1.407 174.777 176.094 0.151 0.000 1.035 78 V CA -0.757 61.545 62.300 0.003 0.000 0.889 78 V CB 1.649 33.337 31.823 -0.226 0.000 0.988 78 V HN -0.134 8.050 8.190 -0.010 0.000 0.440 79 V N 6.193 126.245 119.914 0.230 0.000 2.569 79 V HA 0.638 4.758 4.120 0.000 0.000 0.301 79 V C -2.194 174.111 176.094 0.352 0.000 1.044 79 V CA -0.802 61.673 62.300 0.292 0.000 0.874 79 V CB 2.931 34.867 31.823 0.189 0.000 1.002 79 V HN 0.998 9.300 8.190 0.187 0.000 0.424 80 M N 8.436 128.298 119.600 0.437 0.000 2.364 80 M HA 0.817 5.297 4.480 0.000 0.000 0.334 80 M C -2.073 174.458 176.300 0.384 0.000 1.107 80 M CA -1.344 54.173 55.300 0.361 0.000 0.988 80 M CB 3.690 36.440 32.600 0.251 0.000 1.673 80 M HN 0.278 8.867 8.290 0.498 0.000 0.441 81 T N 2.296 117.047 114.554 0.329 0.000 2.887 81 T HA 0.848 5.198 4.350 0.000 0.000 0.288 81 T C -1.733 173.131 174.700 0.273 0.000 1.021 81 T CA -2.284 60.041 62.100 0.376 0.000 1.000 81 T CB 2.278 71.411 68.868 0.442 0.000 1.034 81 T HN 0.537 8.938 8.240 0.268 0.000 0.467 82 I N 1.911 122.608 120.570 0.212 0.000 2.436 82 I HA 0.485 4.655 4.170 0.000 0.000 0.289 82 I C -0.960 175.150 176.117 -0.011 0.000 1.010 82 I CA -1.263 60.101 61.300 0.106 0.000 1.098 82 I CB 2.737 40.807 38.000 0.116 0.000 1.266 82 I HN 0.059 8.394 8.210 0.209 0.000 0.434 83 T N 9.373 123.908 114.554 -0.031 0.000 2.794 83 T HA 0.131 4.481 4.350 0.000 0.000 0.296 83 T C 0.301 174.906 174.700 -0.159 0.000 0.949 83 T CA 0.535 62.566 62.100 -0.114 0.000 1.101 83 T CB 0.259 69.099 68.868 -0.046 0.000 0.905 83 T HN 0.205 8.450 8.240 0.008 0.000 0.516 84 G N 5.525 114.182 108.800 -0.239 0.000 2.483 84 G HA2 0.080 4.040 3.960 0.000 0.000 0.248 84 G HA3 0.080 4.040 3.960 0.000 0.000 0.248 84 G C -0.203 174.591 174.900 -0.177 0.000 1.248 84 G CA -0.561 44.399 45.100 -0.232 0.000 0.838 84 G HN -0.072 8.026 8.290 -0.319 0.000 0.566 85 S N 3.289 118.890 115.700 -0.165 0.000 2.461 85 S HA -0.162 4.308 4.470 0.000 0.000 0.228 85 S C 0.719 175.253 174.600 -0.109 0.000 1.005 85 S CA 1.674 59.800 58.200 -0.125 0.000 0.942 85 S CB 1.022 64.149 63.200 -0.121 0.000 0.776 85 S HN 0.219 8.414 8.310 -0.192 0.000 0.514 86 E N -0.314 119.813 120.200 -0.122 0.000 2.414 86 E HA 0.136 4.486 4.350 0.000 0.000 0.208 86 E C -0.728 175.807 176.600 -0.108 0.000 0.820 86 E CA 0.630 56.969 56.400 -0.101 0.000 1.143 86 E CB 2.829 32.474 29.700 -0.092 0.000 1.150 86 E HN -0.506 7.766 8.360 -0.147 0.000 0.540 87 A N 0.557 123.291 122.820 -0.142 0.000 3.317 87 A HA 0.537 4.857 4.320 0.000 0.000 0.307 87 A C -2.096 175.354 177.584 -0.223 0.000 1.003 87 A CA -2.274 49.671 52.037 -0.153 0.000 0.882 87 A CB -0.319 18.596 19.000 -0.142 0.000 1.136 87 A HN 0.052 8.003 8.150 -0.164 0.101 0.488 88 P HA -0.103 4.317 4.420 0.000 0.000 0.229 88 P C -0.889 176.183 177.300 -0.380 0.000 1.150 88 P CA 1.621 64.533 63.100 -0.314 0.000 0.765 88 P CB -0.262 31.326 31.700 -0.188 0.000 0.783 89 D N -4.608 115.647 120.400 -0.241 0.000 2.369 89 D HA -0.045 4.595 4.640 0.000 0.000 0.211 89 D C -0.789 175.463 176.300 -0.079 0.000 1.077 89 D CA -0.293 53.648 54.000 -0.098 0.000 0.842 89 D CB -0.530 40.266 40.800 -0.007 0.000 0.947 89 D HN 0.076 8.253 8.370 -0.194 0.076 0.509 90 E N -0.161 119.889 120.200 -0.250 0.000 2.151 90 E HA 0.420 4.770 4.350 0.000 0.000 0.275 90 E C -1.833 174.567 176.600 -0.334 0.000 0.936 90 E CA -0.647 55.664 56.400 -0.148 0.000 0.777 90 E CB 2.311 31.929 29.700 -0.137 0.000 1.108 90 E HN -0.859 7.247 8.360 -0.333 0.054 0.401 91 W N 2.678 123.939 121.300 -0.065 0.000 2.666 91 W HA 0.481 5.141 4.660 0.000 0.000 0.334 91 W C -0.958 175.485 176.519 -0.126 0.000 1.051 91 W CA -1.163 56.141 57.345 -0.069 0.000 1.224 91 W CB 2.851 32.317 29.460 0.009 0.000 1.405 91 W HN 0.756 9.058 8.180 0.203 0.000 0.513 92 I N 2.791 123.406 120.570 0.075 0.000 2.362 92 I HA 0.585 4.755 4.170 0.000 0.000 0.289 92 I C -1.732 174.388 176.117 0.005 0.000 0.994 92 I CA -1.963 59.307 61.300 -0.050 0.000 1.158 92 I CB 0.602 38.472 38.000 -0.217 0.000 1.315 92 I HN 0.059 8.324 8.210 0.091 0.000 0.451 93 V N 8.628 128.528 119.914 -0.024 0.000 2.435 93 V HA 0.691 4.811 4.120 0.000 0.000 0.290 93 V C -1.754 174.382 176.094 0.071 0.000 1.030 93 V CA -1.379 60.877 62.300 -0.074 0.000 0.881 93 V CB 1.520 33.117 31.823 -0.378 0.000 0.983 93 V HN 0.330 8.496 8.190 -0.040 0.000 0.445 94 I N 7.105 127.714 120.570 0.065 0.000 2.499 94 I HA 0.823 4.993 4.170 0.000 0.000 0.288 94 I C -2.353 173.864 176.117 0.165 0.000 1.048 94 I CA -1.983 59.420 61.300 0.170 0.000 1.062 94 I CB 3.188 41.339 38.000 0.252 0.000 1.238 94 I HN 0.322 8.513 8.210 -0.032 0.000 0.426 95 G N 6.188 115.105 108.800 0.195 0.000 2.645 95 G HA2 0.744 4.704 3.960 0.000 0.000 0.292 95 G HA3 0.744 4.704 3.960 0.000 0.000 0.292 95 G C -3.081 171.959 174.900 0.234 0.000 1.415 95 G CA -0.279 44.921 45.100 0.165 0.000 0.785 95 G HN 0.370 8.786 8.290 0.210 0.000 0.483 96 G N -3.675 105.238 108.800 0.189 0.000 2.649 96 G HA2 0.792 4.752 3.960 0.000 0.000 0.290 96 G HA3 0.792 4.752 3.960 0.000 0.000 0.290 96 G C -2.944 172.130 174.900 0.289 0.000 1.426 96 G CA -0.045 45.204 45.100 0.248 0.000 0.794 96 G HN -0.300 8.015 8.290 0.041 0.000 0.483 97 H N -1.352 117.884 119.070 0.276 0.000 2.467 97 H HA 0.524 5.080 4.556 0.000 0.000 0.331 97 H C 0.201 175.603 175.328 0.123 0.000 1.120 97 H CA -2.204 53.991 56.048 0.245 0.000 1.270 97 H CB 1.724 31.612 29.762 0.209 0.000 1.466 97 H HN -0.224 8.339 8.280 0.134 -0.203 0.504 98 L N -4.283 117.038 121.223 0.162 0.000 2.567 98 L HA 0.276 4.616 4.340 0.000 0.000 0.225 98 L C -0.406 176.525 176.870 0.102 0.000 1.119 98 L CA 0.454 55.331 54.840 0.063 0.000 0.871 98 L CB 0.457 42.523 42.059 0.011 0.000 1.036 98 L HN 0.354 8.602 8.230 0.210 0.108 0.459 99 D N -1.179 119.356 120.400 0.225 0.000 2.387 99 D HA 0.167 4.807 4.640 0.000 0.000 0.251 99 D C -1.119 175.337 176.300 0.261 0.000 1.141 99 D CA -1.290 52.824 54.000 0.189 0.000 0.987 99 D CB 1.277 42.134 40.800 0.095 0.000 1.116 99 D HN -0.612 7.951 8.370 0.321 0.000 0.491 100 S N -3.522 112.308 115.700 0.217 0.000 2.595 100 S HA 0.298 4.768 4.470 0.000 0.000 0.281 100 S C -1.602 173.139 174.600 0.235 0.000 1.117 100 S CA -1.217 57.114 58.200 0.218 0.000 0.873 100 S CB 3.027 66.322 63.200 0.158 0.000 1.108 100 S HN -0.305 8.018 8.310 0.209 0.112 0.477 101 T N -0.358 114.288 114.554 0.154 0.000 2.864 101 T HA 0.464 4.814 4.350 0.000 0.000 0.299 101 T C -1.923 172.752 174.700 -0.041 0.000 1.166 101 T CA -0.882 61.260 62.100 0.069 0.000 1.007 101 T CB 2.724 71.588 68.868 -0.005 0.000 1.219 101 T HN 0.104 8.434 8.240 0.151 0.000 0.506 102 I N -2.527 117.971 120.570 -0.121 0.000 3.621 102 I HA 0.602 4.772 4.170 0.000 0.000 0.325 102 I C -0.554 175.509 176.117 -0.090 0.000 1.554 102 I CA -1.825 59.438 61.300 -0.063 0.000 1.053 102 I CB 1.314 39.285 38.000 -0.049 0.000 1.302 102 I HN 0.152 8.231 8.210 -0.219 0.000 0.518 103 G N 0.856 109.564 108.800 -0.152 0.000 2.434 103 G HA2 -0.181 3.779 3.960 0.000 0.000 0.671 103 G HA3 -0.181 3.779 3.960 0.000 0.000 0.671 103 G C 0.312 175.129 174.900 -0.139 0.000 1.280 103 G CA -0.451 44.575 45.100 -0.124 0.000 0.975 103 G HN -0.690 7.416 8.290 -0.194 0.068 0.510 104 S N 1.183 116.782 115.700 -0.168 0.000 2.409 104 S HA -0.314 4.156 4.470 0.000 0.000 0.237 104 S C 0.274 174.637 174.600 -0.394 0.000 1.060 104 S CA 2.315 60.329 58.200 -0.309 0.000 1.052 104 S CB -0.244 62.681 63.200 -0.458 0.000 0.871 104 S HN 0.427 8.654 8.310 -0.138 0.000 0.465 105 H N -2.057 116.975 119.070 -0.063 0.000 2.486 105 H HA 0.263 4.819 4.556 0.000 0.000 0.284 105 H C -0.155 175.056 175.328 -0.195 0.000 1.103 105 H CA -1.556 54.442 56.048 -0.084 0.000 1.089 105 H CB -0.270 29.459 29.762 -0.055 0.000 1.603 105 H HN 0.080 8.259 8.280 -0.112 0.034 0.557 106 T N 4.541 118.895 114.554 -0.333 0.000 2.937 106 T HA -0.140 4.210 4.350 0.000 0.000 0.316 106 T C -1.257 173.093 174.700 -0.582 0.000 1.079 106 T CA 2.615 64.344 62.100 -0.617 0.000 1.131 106 T CB 0.115 68.247 68.868 -1.228 0.000 1.000 106 T HN -0.155 7.873 8.240 -0.354 0.000 0.549 107 N N 2.994 121.490 118.700 -0.340 0.000 3.449 107 N HA 0.086 4.826 4.740 0.000 0.000 0.312 107 N C 0.674 176.150 175.510 -0.057 0.000 1.582 107 N CA -0.456 52.518 53.050 -0.126 0.000 0.850 107 N CB 0.964 39.420 38.487 -0.052 0.000 1.822 107 N HN -0.018 8.184 8.380 -0.296 0.000 0.577 108 E N -2.586 117.615 120.200 0.002 0.000 2.114 108 E HA -0.414 3.936 4.350 0.000 0.000 0.199 108 E C 0.713 177.319 176.600 0.010 0.000 1.008 108 E CA 3.262 59.674 56.400 0.020 0.000 0.810 108 E CB -0.197 29.515 29.700 0.021 0.000 0.739 108 E HN 0.486 8.852 8.360 0.010 0.000 0.456 109 Q N -5.859 113.936 119.800 -0.009 0.000 2.384 109 Q HA 0.067 4.407 4.340 0.000 0.000 0.207 109 Q C 0.602 176.590 176.000 -0.021 0.000 0.904 109 Q CA -0.401 55.396 55.803 -0.010 0.000 0.933 109 Q CB 0.177 28.908 28.738 -0.012 0.000 1.077 109 Q HN -0.535 8.009 8.270 -0.019 -0.285 0.522 110 S N 2.294 117.967 115.700 -0.045 0.000 2.544 110 S HA -0.199 4.271 4.470 0.000 0.000 0.290 110 S C -0.836 173.745 174.600 -0.032 0.000 1.276 110 S CA 0.728 58.892 58.200 -0.059 0.000 1.075 110 S CB 0.461 63.586 63.200 -0.124 0.000 0.849 110 S HN -0.668 7.607 8.310 -0.058 0.000 0.494 111 V N 4.308 124.211 119.914 -0.020 0.000 2.408 111 V HA -0.032 4.088 4.120 0.000 0.000 0.267 111 V C -0.703 175.392 176.094 0.002 0.000 1.047 111 V CA -0.940 61.359 62.300 -0.002 0.000 0.937 111 V CB -0.343 31.478 31.823 -0.004 0.000 0.999 111 V HN 0.138 8.313 8.190 -0.024 0.000 0.472 112 A N 8.447 131.280 122.820 0.022 0.000 2.943 112 A HA 0.658 4.978 4.320 0.000 0.000 0.327 112 A C -2.438 175.181 177.584 0.058 0.000 1.141 112 A CA -2.420 49.639 52.037 0.037 0.000 0.773 112 A CB 1.347 20.369 19.000 0.037 0.000 1.143 112 A HN 0.652 8.823 8.150 0.034 0.000 0.463 113 P HA -0.093 4.327 4.420 0.000 0.000 0.225 113 P C 0.338 177.670 177.300 0.054 0.000 1.156 113 P CA 0.988 64.116 63.100 0.046 0.000 0.787 113 P CB 0.416 32.131 31.700 0.024 0.000 0.802 114 G N -2.268 106.569 108.800 0.061 0.000 2.424 114 G HA2 -0.479 3.481 3.960 0.000 0.000 0.294 114 G HA3 -0.479 3.481 3.960 0.000 0.000 0.294 114 G C 0.120 175.041 174.900 0.036 0.000 0.939 114 G CA 0.608 45.747 45.100 0.064 0.000 1.143 114 G HN 0.189 8.481 8.290 0.062 0.036 0.507 115 A N 1.033 123.868 122.820 0.026 0.000 1.897 115 A HA -0.248 4.072 4.320 0.000 0.000 0.215 115 A C 0.902 178.491 177.584 0.007 0.000 1.181 115 A CA 2.886 54.933 52.037 0.017 0.000 0.620 115 A CB 0.199 19.209 19.000 0.017 0.000 0.821 115 A HN 0.210 8.376 8.150 0.026 0.000 0.443 116 D N -3.961 116.441 120.400 0.004 0.000 2.202 116 D HA -0.038 4.601 4.640 0.000 0.000 0.214 116 D C -0.822 175.462 176.300 -0.027 0.000 0.967 116 D CA 1.849 55.841 54.000 -0.012 0.000 0.871 116 D CB 1.348 42.141 40.800 -0.012 0.000 1.020 116 D HN -0.402 8.264 8.370 0.007 -0.292 0.474 117 D N -1.813 118.590 120.400 0.004 0.000 2.396 117 D HA 0.081 4.721 4.640 0.000 0.000 0.225 117 D C -1.483 174.832 176.300 0.025 0.000 1.121 117 D CA -0.414 53.606 54.000 0.033 0.000 0.853 117 D CB 0.906 41.774 40.800 0.113 0.000 1.043 117 D HN -0.707 8.079 8.370 0.016 -0.407 0.500 118 D N 6.512 126.817 120.400 -0.157 0.000 3.058 118 D HA 0.181 4.821 4.640 0.000 0.000 0.272 118 D C -0.021 176.206 176.300 -0.122 0.000 1.350 118 D CA -1.720 52.147 54.000 -0.223 0.000 0.863 118 D CB 0.300 40.764 40.800 -0.559 0.000 1.064 118 D HN -0.374 7.861 8.370 -0.225 0.000 0.488 119 A N 0.120 122.915 122.820 -0.042 0.000 2.019 119 A HA -0.243 4.077 4.320 0.000 0.000 0.219 119 A C 1.255 178.850 177.584 0.019 0.000 1.164 119 A CA 2.767 54.807 52.037 0.005 0.000 0.644 119 A CB -0.431 18.584 19.000 0.025 0.000 0.805 119 A HN 0.287 8.421 8.150 -0.025 0.000 0.449 120 S N -1.359 114.335 115.700 -0.009 0.000 2.368 120 S HA -0.364 4.106 4.470 0.000 0.000 0.225 120 S C 2.386 176.978 174.600 -0.014 0.000 1.030 120 S CA 3.184 61.376 58.200 -0.013 0.000 0.999 120 S CB -0.530 62.637 63.200 -0.055 0.000 0.844 120 S HN -0.103 8.169 8.310 -0.025 0.023 0.459 121 G N 2.153 110.931 108.800 -0.036 0.000 2.421 121 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 121 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 121 G C 1.070 176.020 174.900 0.082 0.000 1.171 121 G CA 1.976 47.077 45.100 0.001 0.000 0.775 121 G HN -0.468 7.943 8.290 -0.065 -0.160 0.543 122 I N 2.000 122.627 120.570 0.095 0.000 2.226 122 I HA -0.364 3.806 4.170 0.000 0.000 0.245 122 I C 1.900 178.153 176.117 0.227 0.000 1.100 122 I CA 1.310 62.722 61.300 0.187 0.000 1.374 122 I CB -1.305 36.786 38.000 0.152 0.000 1.057 122 I HN -0.727 7.510 8.210 0.045 0.000 0.413 123 A N -0.772 122.151 122.820 0.172 0.000 1.933 123 A HA -0.349 3.971 4.320 0.000 0.000 0.218 123 A C 1.832 179.502 177.584 0.145 0.000 1.175 123 A CA 3.258 55.400 52.037 0.176 0.000 0.628 123 A CB -0.980 18.101 19.000 0.134 0.000 0.814 123 A HN 0.352 8.579 8.150 0.128 0.000 0.444 124 A N -1.896 120.997 122.820 0.120 0.000 1.883 124 A HA -0.319 4.001 4.320 0.000 0.000 0.217 124 A C 2.051 179.707 177.584 0.120 0.000 1.186 124 A CA 3.255 55.359 52.037 0.112 0.000 0.624 124 A CB -0.659 18.406 19.000 0.108 0.000 0.822 124 A HN -0.471 7.743 8.150 0.107 0.000 0.444 125 V N -2.509 117.498 119.914 0.154 0.000 2.343 125 V HA -0.502 3.618 4.120 0.000 0.000 0.247 125 V C 2.208 178.293 176.094 -0.016 0.000 1.051 125 V CA 4.691 67.077 62.300 0.143 0.000 1.036 125 V CB -0.979 30.994 31.823 0.250 0.000 0.654 125 V HN -0.362 7.932 8.190 0.174 0.000 0.451 126 T N 1.625 116.231 114.554 0.087 0.000 2.788 126 T HA -0.331 4.019 4.350 0.000 0.000 0.268 126 T C 1.770 176.413 174.700 -0.095 0.000 1.044 126 T CA 4.708 66.806 62.100 -0.002 0.000 1.139 126 T CB -0.602 68.430 68.868 0.274 0.000 0.867 126 T HN -0.031 8.269 8.240 0.222 0.073 0.454 127 E N 0.933 121.125 120.200 -0.014 0.000 2.106 127 E HA -0.207 4.143 4.350 0.000 0.000 0.192 127 E C 1.688 178.249 176.600 -0.064 0.000 0.984 127 E CA 2.467 58.852 56.400 -0.024 0.000 0.806 127 E CB -0.434 29.280 29.700 0.023 0.000 0.750 127 E HN -0.421 7.965 8.360 0.043 0.000 0.458 128 V N 0.519 120.402 119.914 -0.051 0.000 2.287 128 V HA -0.445 3.675 4.120 0.000 0.000 0.248 128 V C 1.887 177.885 176.094 -0.160 0.000 1.053 128 V CA 4.675 66.954 62.300 -0.035 0.000 1.027 128 V CB -0.818 31.065 31.823 0.100 0.000 0.646 128 V HN -0.606 7.574 8.190 -0.017 0.000 0.447 129 I N -2.300 118.031 120.570 -0.398 0.000 2.163 129 I HA -0.629 3.541 4.170 0.000 0.000 0.243 129 I C 1.707 177.652 176.117 -0.287 0.000 1.085 129 I CA 4.014 65.005 61.300 -0.516 0.000 1.347 129 I CB -0.589 36.895 38.000 -0.860 0.000 1.044 129 I HN -0.708 7.220 8.210 -0.470 0.000 0.408 130 R N -0.407 119.965 120.500 -0.214 0.000 2.091 130 R HA -0.362 3.978 4.340 0.000 0.000 0.238 130 R C 2.320 178.521 176.300 -0.165 0.000 1.136 130 R CA 3.811 59.819 56.100 -0.154 0.000 0.959 130 R CB -0.041 30.197 30.300 -0.103 0.000 0.856 130 R HN -0.535 7.611 8.270 -0.206 0.000 0.437 131 V N -0.541 119.273 119.914 -0.168 0.000 2.358 131 V HA -0.358 3.762 4.120 0.000 0.000 0.246 131 V C 2.365 178.250 176.094 -0.350 0.000 1.047 131 V CA 4.080 66.245 62.300 -0.226 0.000 1.035 131 V CB -0.740 30.990 31.823 -0.155 0.000 0.658 131 V HN -0.647 7.457 8.190 -0.143 0.000 0.452 132 L N -2.698 118.371 121.223 -0.257 0.000 2.083 132 L HA -0.506 3.834 4.340 0.000 0.000 0.209 132 L C 2.014 178.787 176.870 -0.163 0.000 1.083 132 L CA 3.470 58.176 54.840 -0.223 0.000 0.752 132 L CB -0.788 41.254 42.059 -0.029 0.000 0.899 132 L HN -0.733 7.385 8.230 -0.187 0.000 0.433 133 S N 0.347 115.961 115.700 -0.142 0.000 2.345 133 S HA -0.332 4.138 4.470 0.000 0.000 0.220 133 S C 2.746 177.259 174.600 -0.144 0.000 1.031 133 S CA 3.590 61.723 58.200 -0.110 0.000 0.996 133 S CB -0.383 62.753 63.200 -0.106 0.000 0.882 133 S HN -0.292 7.924 8.310 -0.156 0.000 0.445 134 E N 0.662 120.750 120.200 -0.186 0.000 2.333 134 E HA -0.262 4.088 4.350 0.000 0.000 0.200 134 E C 0.698 177.154 176.600 -0.240 0.000 1.010 134 E CA 2.576 58.862 56.400 -0.189 0.000 0.841 134 E CB -0.212 29.372 29.700 -0.193 0.000 0.757 134 E HN -0.486 7.761 8.360 -0.189 0.000 0.508 135 N N -4.862 113.613 118.700 -0.375 0.000 2.205 135 N HA 0.120 4.860 4.740 0.000 0.000 0.201 135 N C -1.121 174.275 175.510 -0.191 0.000 1.128 135 N CA -0.281 52.493 53.050 -0.460 0.000 0.867 135 N CB 0.949 38.660 38.487 -1.293 0.000 0.996 135 N HN -0.831 7.245 8.380 -0.397 0.065 0.503 136 N N -2.038 116.602 118.700 -0.101 0.000 2.727 136 N HA -0.414 4.326 4.740 0.000 0.000 0.251 136 N C -1.362 174.237 175.510 0.147 0.000 1.040 136 N CA 1.270 54.332 53.050 0.020 0.000 0.712 136 N CB -0.879 37.622 38.487 0.024 0.000 0.912 136 N HN -0.158 7.950 8.380 -0.145 0.185 0.545 137 F N 1.709 121.660 119.950 0.002 0.000 2.504 137 F HA -0.040 4.487 4.527 0.000 0.000 0.369 137 F C -1.097 174.756 175.800 0.089 0.000 1.082 137 F CA 0.385 58.476 58.000 0.152 0.000 1.216 137 F CB 0.616 39.736 39.000 0.201 0.000 1.108 137 F HN -0.235 8.169 8.300 0.174 0.000 0.554 138 Q N 9.144 128.789 119.800 -0.258 0.000 2.394 138 Q HA 0.343 4.683 4.340 0.000 0.000 0.259 138 Q C -2.419 173.127 176.000 -0.758 0.000 1.021 138 Q CA -4.250 51.317 55.803 -0.394 0.000 0.805 138 Q CB 1.233 29.863 28.738 -0.180 0.000 1.226 138 Q HN 0.203 8.412 8.270 -0.102 0.000 0.476 139 P HA 0.176 4.596 4.420 0.000 0.000 0.276 139 P C -0.723 176.352 177.300 -0.375 0.000 1.261 139 P CA -0.791 61.849 63.100 -0.766 0.000 0.800 139 P CB 1.745 33.107 31.700 -0.562 0.000 1.066 140 K N -1.391 118.851 120.400 -0.263 0.000 2.168 140 K HA 0.030 4.350 4.320 0.000 0.000 0.201 140 K C 1.068 177.546 176.600 -0.203 0.000 1.049 140 K CA 1.788 57.960 56.287 -0.192 0.000 0.974 140 K CB 1.123 33.540 32.500 -0.138 0.000 0.792 140 K HN 0.329 8.437 8.250 -0.237 0.000 0.463 141 R N -2.055 118.316 120.500 -0.216 0.000 2.553 141 R HA 0.211 4.551 4.340 0.000 0.000 0.263 141 R C -0.068 176.015 176.300 -0.362 0.000 1.066 141 R CA -0.474 55.459 56.100 -0.279 0.000 1.135 141 R CB 1.344 31.491 30.300 -0.255 0.000 1.148 141 R HN -0.359 7.691 8.270 -0.188 0.108 0.558 142 S N -0.469 114.882 115.700 -0.580 0.000 2.585 142 S HA 0.225 4.695 4.470 0.000 0.000 0.277 142 S C -1.155 173.136 174.600 -0.516 0.000 1.241 142 S CA 0.264 58.019 58.200 -0.742 0.000 1.041 142 S CB 1.224 63.499 63.200 -1.543 0.000 0.987 142 S HN -0.218 7.686 8.310 -0.675 0.000 0.512 143 I N 1.818 122.259 120.570 -0.216 0.000 2.509 143 I HA 0.600 4.770 4.170 0.000 0.000 0.293 143 I C -2.112 174.071 176.117 0.109 0.000 1.020 143 I CA -1.327 59.897 61.300 -0.126 0.000 1.088 143 I CB 3.177 40.986 38.000 -0.319 0.000 1.267 143 I HN -0.117 7.995 8.210 -0.164 0.000 0.430 144 A N 5.202 128.102 122.820 0.132 0.000 2.291 144 A HA 0.711 5.031 4.320 0.000 0.000 0.311 144 A C -1.867 175.674 177.584 -0.072 0.000 1.224 144 A CA -1.873 50.271 52.037 0.178 0.000 0.821 144 A CB 2.147 21.262 19.000 0.191 0.000 1.172 144 A HN 0.718 8.909 8.150 0.070 0.000 0.494 145 F N 4.448 124.449 119.950 0.086 0.000 2.420 145 F HA 0.611 5.138 4.527 0.000 0.000 0.352 145 F C -1.013 174.866 175.800 0.132 0.000 1.108 145 F CA -0.193 57.803 58.000 -0.007 0.000 1.162 145 F CB 1.563 40.369 39.000 -0.323 0.000 1.118 145 F HN 0.563 9.070 8.300 0.345 0.000 0.510 146 M N 3.177 122.939 119.600 0.270 0.000 2.393 146 M HA 0.579 5.059 4.480 0.000 0.000 0.299 146 M C -2.245 174.034 176.300 -0.035 0.000 1.103 146 M CA -0.787 54.571 55.300 0.098 0.000 0.910 146 M CB 4.557 37.051 32.600 -0.177 0.000 1.659 146 M HN 0.555 8.983 8.290 0.230 0.000 0.445 147 A N 2.110 124.887 122.820 -0.070 0.000 2.399 147 A HA 0.605 4.925 4.320 0.000 0.000 0.327 147 A C -1.530 175.972 177.584 -0.137 0.000 1.367 147 A CA -1.391 50.581 52.037 -0.109 0.000 0.842 147 A CB 1.131 20.067 19.000 -0.107 0.000 1.142 147 A HN 0.575 8.726 8.150 0.001 0.000 0.495 148 Y N 3.408 123.810 120.300 0.171 0.000 2.309 148 Y HA 0.082 4.632 4.550 0.000 0.000 0.327 148 Y C -0.752 175.207 175.900 0.098 0.000 1.172 148 Y CA -0.990 57.192 58.100 0.137 0.000 1.280 148 Y CB 0.782 39.308 38.460 0.110 0.000 1.234 148 Y HN 0.270 8.366 8.280 -0.306 0.000 0.512 149 A N 1.657 124.615 122.820 0.229 0.000 2.271 149 A HA 0.216 4.536 4.320 0.000 0.000 0.288 149 A C -0.749 176.778 177.584 -0.094 0.000 1.094 149 A CA -1.458 50.633 52.037 0.091 0.000 0.828 149 A CB 0.980 20.078 19.000 0.162 0.000 1.091 149 A HN -0.129 8.185 8.150 0.272 0.000 0.493 150 A N -1.645 121.023 122.820 -0.254 0.000 2.790 150 A HA -0.339 3.981 4.320 0.000 0.000 0.277 150 A C 1.664 178.936 177.584 -0.519 0.000 1.435 150 A CA 1.603 53.296 52.037 -0.572 0.000 0.877 150 A CB -1.619 16.828 19.000 -0.922 0.000 1.007 150 A HN 0.489 8.540 8.150 -0.166 0.000 0.613 151 E N -0.939 119.025 120.200 -0.393 0.000 2.118 151 E HA -0.335 4.015 4.350 0.000 0.000 0.195 151 E C 1.524 177.856 176.600 -0.447 0.000 0.992 151 E CA 2.805 58.938 56.400 -0.445 0.000 0.804 151 E CB -0.166 29.180 29.700 -0.590 0.000 0.741 151 E HN -0.284 8.000 8.360 -0.276 -0.090 0.458 152 E N -3.353 116.584 120.200 -0.439 0.000 2.516 152 E HA -0.098 4.252 4.350 0.000 0.000 0.199 152 E C 0.846 177.251 176.600 -0.325 0.000 1.069 152 E CA 1.327 57.537 56.400 -0.316 0.000 0.876 152 E CB 0.085 29.660 29.700 -0.209 0.000 0.843 152 E HN -0.502 7.834 8.360 -0.444 -0.243 0.530 153 V N -1.558 118.073 119.914 -0.472 0.000 3.078 153 V HA 0.261 4.381 4.120 0.000 0.000 0.344 153 V C -1.643 174.213 176.094 -0.397 0.000 1.409 153 V CA -0.936 61.064 62.300 -0.499 0.000 1.146 153 V CB 0.127 31.353 31.823 -0.994 0.000 1.126 153 V HN -0.767 7.009 8.190 -0.530 0.097 0.513 154 G N -0.463 108.149 108.800 -0.313 0.000 2.157 154 G HA2 -0.167 3.793 3.960 0.000 0.000 0.118 154 G HA3 -0.167 3.793 3.960 0.000 0.000 0.118 154 G C -0.102 174.647 174.900 -0.251 0.000 1.032 154 G CA 0.049 45.007 45.100 -0.236 0.000 0.697 154 G HN -0.628 7.409 8.290 -0.312 0.065 0.495 155 L N -5.028 116.017 121.223 -0.296 0.000 3.717 155 L HA -0.622 3.718 4.340 0.000 0.000 0.414 155 L C 1.037 177.733 176.870 -0.291 0.000 1.228 155 L CA 0.799 55.457 54.840 -0.303 0.000 0.918 155 L CB -2.416 39.469 42.059 -0.289 0.000 1.865 155 L HN -0.334 7.704 8.230 -0.320 0.000 0.922 156 R N -0.553 119.766 120.500 -0.302 0.000 2.090 156 R HA -0.219 4.121 4.340 0.000 0.000 0.228 156 R C 2.070 178.245 176.300 -0.209 0.000 1.110 156 R CA 3.824 59.786 56.100 -0.229 0.000 0.973 156 R CB -0.209 29.939 30.300 -0.254 0.000 0.869 156 R HN -0.539 7.513 8.270 -0.364 0.000 0.440 157 G N -2.268 106.369 108.800 -0.273 0.000 2.396 157 G HA2 -0.118 3.842 3.960 0.000 0.000 0.214 157 G HA3 -0.118 3.842 3.960 0.000 0.000 0.214 157 G C 0.457 175.276 174.900 -0.136 0.000 1.166 157 G CA 1.778 46.707 45.100 -0.285 0.000 0.793 157 G HN -0.333 7.780 8.290 -0.294 0.000 0.533 158 S N 1.546 117.046 115.700 -0.335 0.000 2.406 158 S HA -0.356 4.114 4.470 0.000 0.000 0.228 158 S C 1.712 176.004 174.600 -0.513 0.000 1.020 158 S CA 2.760 60.597 58.200 -0.605 0.000 0.965 158 S CB -0.314 62.291 63.200 -0.992 0.000 0.798 158 S HN -0.237 7.854 8.310 -0.365 0.000 0.488 159 Q N 2.467 122.049 119.800 -0.363 0.000 2.061 159 Q HA -0.370 3.970 4.340 0.000 0.000 0.204 159 Q C 2.229 178.111 176.000 -0.196 0.000 0.984 159 Q CA 3.386 59.024 55.803 -0.274 0.000 0.846 159 Q CB -0.054 28.566 28.738 -0.197 0.000 0.902 159 Q HN -0.219 7.850 8.270 -0.335 0.000 0.421 160 D N 0.564 120.898 120.400 -0.110 0.000 2.092 160 D HA -0.278 4.362 4.640 0.000 0.000 0.193 160 D C 2.630 178.913 176.300 -0.028 0.000 0.994 160 D CA 3.383 57.377 54.000 -0.009 0.000 0.828 160 D CB -0.294 40.601 40.800 0.158 0.000 0.963 160 D HN -0.651 7.653 8.370 -0.110 0.000 0.450 161 L N -1.312 119.883 121.223 -0.047 0.000 2.083 161 L HA -0.346 3.994 4.340 0.000 0.000 0.209 161 L C 1.932 178.620 176.870 -0.303 0.000 1.083 161 L CA 2.864 57.662 54.840 -0.070 0.000 0.752 161 L CB -0.379 41.684 42.059 0.007 0.000 0.899 161 L HN -0.350 7.864 8.230 -0.026 0.000 0.433 162 A N -0.732 121.678 122.820 -0.685 0.000 1.858 162 A HA -0.392 3.928 4.320 0.000 0.000 0.216 162 A C 1.937 179.426 177.584 -0.158 0.000 1.190 162 A CA 3.505 55.021 52.037 -0.868 0.000 0.617 162 A CB -0.847 17.594 19.000 -0.932 0.000 0.827 162 A HN 0.705 8.344 8.150 -0.667 0.110 0.443 163 N N -2.138 116.496 118.700 -0.110 0.000 2.364 163 N HA -0.307 4.433 4.740 0.000 0.000 0.183 163 N C 2.218 177.765 175.510 0.061 0.000 1.022 163 N CA 2.961 56.014 53.050 0.005 0.000 0.883 163 N CB -0.270 38.202 38.487 -0.025 0.000 0.965 163 N HN -0.313 7.955 8.380 -0.187 0.000 0.438 164 Q N 1.308 121.153 119.800 0.076 0.000 2.033 164 Q HA -0.260 4.080 4.340 0.000 0.000 0.196 164 Q C 2.171 178.276 176.000 0.175 0.000 0.970 164 Q CA 3.567 59.439 55.803 0.114 0.000 0.828 164 Q CB 0.056 28.874 28.738 0.133 0.000 0.895 164 Q HN -0.207 7.952 8.270 0.034 0.132 0.440 165 Y N -0.343 119.969 120.300 0.019 0.000 2.193 165 Y HA -0.455 4.095 4.550 0.000 0.000 0.285 165 Y C 2.087 178.076 175.900 0.148 0.000 1.166 165 Y CA 3.395 61.528 58.100 0.055 0.000 1.181 165 Y CB -0.312 38.214 38.460 0.110 0.000 0.976 165 Y HN 0.312 8.868 8.280 0.460 0.000 0.520 166 K N -0.860 119.757 120.400 0.362 0.000 2.155 166 K HA -0.300 4.020 4.320 0.000 0.000 0.203 166 K C 2.924 179.616 176.600 0.153 0.000 1.052 166 K CA 2.992 59.472 56.287 0.322 0.000 0.948 166 K CB -0.241 32.423 32.500 0.274 0.000 0.728 166 K HN -0.065 8.304 8.250 0.345 0.089 0.448 167 S N -0.334 115.427 115.700 0.102 0.000 2.461 167 S HA -0.093 4.377 4.470 0.000 0.000 0.228 167 S C 1.663 176.284 174.600 0.035 0.000 1.005 167 S CA 2.597 60.829 58.200 0.054 0.000 0.942 167 S CB 0.026 63.248 63.200 0.036 0.000 0.776 167 S HN -0.099 8.177 8.310 0.114 0.102 0.514 168 E N 0.348 120.561 120.200 0.022 0.000 2.476 168 E HA 0.104 4.454 4.350 0.000 0.000 0.191 168 E C -0.256 176.344 176.600 -0.001 0.000 1.064 168 E CA -0.758 55.628 56.400 -0.022 0.000 0.866 168 E CB -0.276 29.360 29.700 -0.106 0.000 0.952 168 E HN -0.442 7.823 8.360 0.039 0.119 0.492 169 G N -0.923 107.910 108.800 0.054 0.000 2.296 169 G HA2 -0.409 3.551 3.960 0.000 0.000 0.282 169 G HA3 -0.409 3.551 3.960 0.000 0.000 0.282 169 G C 0.060 175.019 174.900 0.098 0.000 1.014 169 G CA 0.740 45.893 45.100 0.088 0.000 0.812 169 G HN -0.533 7.588 8.290 0.072 0.212 0.508 170 K N -0.192 120.245 120.400 0.062 0.000 2.382 170 K HA -0.181 4.139 4.320 0.000 0.000 0.275 170 K C -0.524 176.179 176.600 0.172 0.000 1.009 170 K CA 0.167 56.470 56.287 0.027 0.000 0.970 170 K CB 0.561 32.890 32.500 -0.284 0.000 0.934 170 K HN -0.190 8.065 8.250 0.042 0.020 0.479 171 N N 4.006 122.835 118.700 0.215 0.000 2.719 171 N HA 0.084 4.824 4.740 0.000 0.000 0.243 171 N C -1.570 174.063 175.510 0.205 0.000 1.104 171 N CA -0.623 52.556 53.050 0.215 0.000 0.981 171 N CB 0.432 39.013 38.487 0.156 0.000 1.290 171 N HN 0.248 8.776 8.380 0.247 0.000 0.513 172 V N 5.822 125.799 119.914 0.106 0.000 2.405 172 V HA 0.072 4.192 4.120 0.000 0.000 0.264 172 V C 0.702 176.793 176.094 -0.005 0.000 1.048 172 V CA 0.818 63.096 62.300 -0.038 0.000 0.966 172 V CB -0.825 30.726 31.823 -0.453 0.000 1.015 172 V HN -0.090 8.160 8.190 0.100 0.000 0.477 173 V N 8.939 128.832 119.914 -0.034 0.000 2.358 173 V HA -0.156 3.964 4.120 0.000 0.000 0.246 173 V C -0.010 175.956 176.094 -0.213 0.000 1.047 173 V CA 2.609 64.850 62.300 -0.097 0.000 1.035 173 V CB 0.402 32.148 31.823 -0.128 0.000 0.658 173 V HN 0.775 8.961 8.190 -0.006 0.000 0.452 174 S N -5.547 109.993 115.700 -0.266 0.000 2.543 174 S HA 0.257 4.727 4.470 0.000 0.000 0.274 174 S C -2.518 171.933 174.600 -0.249 0.000 1.149 174 S CA -0.576 57.361 58.200 -0.439 0.000 0.866 174 S CB 2.623 65.199 63.200 -1.039 0.000 1.111 174 S HN -0.754 7.440 8.310 -0.194 0.000 0.457 175 A N 1.843 124.575 122.820 -0.146 0.000 2.323 175 A HA 0.680 5.000 4.320 0.000 0.000 0.305 175 A C -2.823 174.840 177.584 0.131 0.000 1.275 175 A CA -1.146 50.749 52.037 -0.237 0.000 0.804 175 A CB 1.801 20.286 19.000 -0.858 0.000 1.152 175 A HN 0.798 8.936 8.150 -0.020 0.000 0.487 176 L N 4.024 125.344 121.223 0.162 0.000 2.292 176 L HA 0.425 4.765 4.340 0.000 0.000 0.284 176 L C -2.233 174.721 176.870 0.140 0.000 1.065 176 L CA -0.747 54.159 54.840 0.108 0.000 0.806 176 L CB 2.629 44.620 42.059 -0.113 0.000 1.175 176 L HN 0.073 8.390 8.230 0.146 0.000 0.431 177 Q N 6.112 126.009 119.800 0.162 0.000 2.325 177 Q HA 0.578 4.918 4.340 0.000 0.000 0.262 177 Q C -1.121 174.974 176.000 0.158 0.000 0.968 177 Q CA -1.620 54.321 55.803 0.229 0.000 0.877 177 Q CB 1.723 30.633 28.738 0.287 0.000 1.253 177 Q HN -0.009 8.334 8.270 0.121 0.000 0.448 178 L N 8.559 129.876 121.223 0.156 0.000 2.295 178 L HA 0.235 4.575 4.340 0.000 0.000 0.281 178 L C -1.568 175.342 176.870 0.066 0.000 1.018 178 L CA -0.659 54.226 54.840 0.075 0.000 0.841 178 L CB 0.783 42.877 42.059 0.058 0.000 1.218 178 L HN 0.383 8.731 8.230 0.197 0.000 0.424 179 D N 4.892 125.334 120.400 0.071 0.000 2.476 179 D HA 0.138 4.778 4.640 0.000 0.000 0.251 179 D C -1.373 174.983 176.300 0.094 0.000 1.291 179 D CA -1.115 52.946 54.000 0.101 0.000 0.939 179 D CB 1.507 42.439 40.800 0.221 0.000 1.221 179 D HN 0.123 8.540 8.370 0.077 0.000 0.567 180 M N 2.261 121.831 119.600 -0.050 0.000 4.041 180 M HA -0.427 4.053 4.480 0.000 0.000 0.157 180 M C -1.052 175.012 176.300 -0.393 0.000 1.531 180 M CA 0.723 55.935 55.300 -0.147 0.000 1.095 180 M CB -0.929 31.628 32.600 -0.071 0.000 1.346 180 M HN -0.206 8.296 8.290 -0.074 -0.256 0.198 181 T N -3.508 110.784 114.554 -0.437 0.000 3.111 181 T HA 0.274 4.624 4.350 0.000 0.000 0.284 181 T C -0.200 174.243 174.700 -0.428 0.000 0.983 181 T CA -0.283 61.294 62.100 -0.870 0.000 0.900 181 T CB 1.039 69.348 68.868 -0.932 0.000 1.132 181 T HN 0.501 8.650 8.240 -0.268 -0.071 0.531 182 N N 0.612 119.269 118.700 -0.072 0.000 2.305 182 N HA 0.145 4.885 4.740 0.000 0.000 0.248 182 N C -1.720 173.925 175.510 0.225 0.000 1.290 182 N CA -0.043 53.093 53.050 0.143 0.000 0.873 182 N CB 2.089 40.614 38.487 0.063 0.000 1.261 182 N HN -0.062 8.589 8.380 -0.086 -0.322 0.504 183 Y N 0.374 120.725 120.300 0.085 0.000 2.349 183 Y HA 0.051 4.601 4.550 0.000 0.000 0.324 183 Y C -2.211 173.585 175.900 -0.174 0.000 1.005 183 Y CA -1.244 56.816 58.100 -0.068 0.000 1.240 183 Y CB 2.710 41.127 38.460 -0.070 0.000 1.117 183 Y HN -0.814 7.769 8.280 0.280 -0.135 0.463 184 K N 8.810 128.695 120.400 -0.859 0.000 2.171 184 K HA 0.007 4.327 4.320 0.000 0.000 0.274 184 K C -0.079 176.132 176.600 -0.649 0.000 1.110 184 K CA -0.673 55.130 56.287 -0.806 0.000 0.952 184 K CB -1.190 30.773 32.500 -0.895 0.000 1.309 184 K HN 0.450 8.192 8.250 -0.846 0.000 0.414 185 G N 3.930 112.506 108.800 -0.373 0.000 3.088 185 G HA2 0.101 4.061 3.960 0.000 0.000 0.217 185 G HA3 0.101 4.061 3.960 0.000 0.000 0.217 185 G C -0.730 174.130 174.900 -0.066 0.000 1.159 185 G CA 0.065 45.054 45.100 -0.185 0.000 0.760 185 G HN 0.181 8.364 8.290 -0.177 0.000 0.550 186 S N -1.398 114.264 115.700 -0.064 0.000 0.000 186 S HA 0.206 4.676 4.470 0.000 0.000 0.000 186 S C -0.737 173.840 174.600 -0.038 0.000 0.000 186 S CA -1.710 56.481 58.200 -0.015 0.000 0.000 186 S CB 2.016 65.238 63.200 0.036 0.000 0.000 186 S HN -0.787 7.415 8.310 -0.097 0.050 0.000 187 A N 1.403 124.213 122.820 -0.016 0.000 1.930 187 A HA -0.206 4.114 4.320 0.000 0.000 0.217 187 A C -0.313 177.257 177.584 -0.023 0.000 1.175 187 A CA 2.346 54.368 52.037 -0.025 0.000 0.627 187 A CB 0.059 19.051 19.000 -0.014 0.000 0.815 187 A HN 0.634 8.786 8.150 0.002 0.000 0.443 188 Q N -2.793 117.002 119.800 -0.008 0.000 2.352 188 Q HA -0.157 4.183 4.340 0.000 0.000 0.260 188 Q C 0.710 176.721 176.000 0.019 0.000 0.976 188 Q CA 0.850 56.648 55.803 -0.009 0.000 0.881 188 Q CB 0.372 29.107 28.738 -0.005 0.000 1.235 188 Q HN -0.461 7.812 8.270 0.005 0.000 0.419 189 D N 2.424 122.832 120.400 0.014 0.000 2.117 189 D HA -0.191 4.449 4.640 0.000 0.000 0.198 189 D C 0.171 176.463 176.300 -0.014 0.000 0.982 189 D CA 3.187 57.222 54.000 0.058 0.000 0.828 189 D CB 0.672 41.454 40.800 -0.031 0.000 0.967 189 D HN -0.144 8.218 8.370 -0.014 0.000 0.464 190 V N -0.910 118.915 119.914 -0.149 0.000 2.638 190 V HA 0.231 4.351 4.120 0.000 0.000 0.306 190 V C -1.730 174.170 176.094 -0.323 0.000 1.052 190 V CA -0.987 61.106 62.300 -0.345 0.000 0.885 190 V CB 3.214 34.641 31.823 -0.659 0.000 0.999 190 V HN -0.605 7.531 8.190 -0.091 0.000 0.424 191 V N 5.767 125.515 119.914 -0.277 0.000 2.444 191 V HA 0.681 4.801 4.120 0.000 0.000 0.294 191 V C -1.076 174.855 176.094 -0.271 0.000 1.022 191 V CA -1.490 60.692 62.300 -0.196 0.000 0.850 191 V CB 2.433 34.301 31.823 0.076 0.000 0.992 191 V HN 0.607 8.706 8.190 -0.152 0.000 0.426 192 F N 6.956 126.806 119.950 -0.167 0.000 2.404 192 F HA 0.501 5.028 4.527 0.000 0.000 0.345 192 F C -0.375 175.453 175.800 0.046 0.000 1.110 192 F CA -1.177 56.770 58.000 -0.089 0.000 1.130 192 F CB 1.457 40.357 39.000 -0.167 0.000 1.129 192 F HN 0.544 8.691 8.300 -0.255 0.000 0.500 193 I N 3.557 124.228 120.570 0.168 0.000 2.441 193 I HA 0.152 4.322 4.170 0.000 0.000 0.287 193 I C 0.984 177.178 176.117 0.129 0.000 1.049 193 I CA -0.452 60.902 61.300 0.091 0.000 1.381 193 I CB -0.596 37.341 38.000 -0.104 0.000 1.409 193 I HN -0.163 8.114 8.210 0.112 0.000 0.523 194 T N 2.599 117.242 114.554 0.147 0.000 3.022 194 T HA 0.166 4.516 4.350 0.000 0.000 0.250 194 T C 0.061 174.787 174.700 0.044 0.000 1.060 194 T CA 0.317 62.489 62.100 0.120 0.000 1.013 194 T CB 0.749 69.697 68.868 0.133 0.000 0.982 194 T HN 0.876 9.204 8.240 0.146 0.000 0.508 195 D N 2.420 122.842 120.400 0.037 0.000 2.225 195 D HA -0.009 4.631 4.640 0.000 0.000 0.249 195 D C -0.066 176.243 176.300 0.015 0.000 1.052 195 D CA -0.759 53.211 54.000 -0.051 0.000 0.909 195 D CB 0.240 41.022 40.800 -0.030 0.000 1.186 195 D HN -0.433 7.978 8.370 0.068 0.000 0.431 196 Y N -5.210 114.911 120.300 -0.298 0.000 4.177 196 Y HA -0.367 4.183 4.550 0.000 0.000 0.227 196 Y C -0.859 174.791 175.900 -0.417 0.000 1.154 196 Y CA 0.946 58.629 58.100 -0.694 0.000 1.887 196 Y CB -1.916 36.376 38.460 -0.280 0.000 1.594 196 Y HN 0.422 8.288 8.280 -0.691 0.000 0.668 197 T N -6.277 108.219 114.554 -0.098 0.000 2.864 197 T HA 0.442 4.792 4.350 0.000 0.000 0.289 197 T C -1.722 173.099 174.700 0.201 0.000 1.082 197 T CA -2.551 59.645 62.100 0.160 0.000 1.009 197 T CB 3.663 72.605 68.868 0.123 0.000 1.234 197 T HN -0.867 7.240 8.240 -0.143 0.047 0.526 198 D N 0.527 121.079 120.400 0.253 0.000 2.280 198 D HA 0.376 5.016 4.640 0.000 0.000 0.236 198 D C 1.007 177.403 176.300 0.161 0.000 1.082 198 D CA -1.694 52.444 54.000 0.229 0.000 0.834 198 D CB 1.700 42.670 40.800 0.283 0.000 1.100 198 D HN -0.263 8.272 8.370 0.275 0.000 0.486 199 S N 6.257 122.020 115.700 0.105 0.000 2.399 199 S HA -0.432 4.038 4.470 0.000 0.000 0.231 199 S C 1.572 176.212 174.600 0.067 0.000 1.022 199 S CA 3.257 61.492 58.200 0.059 0.000 0.983 199 S CB -0.075 63.139 63.200 0.022 0.000 0.803 199 S HN 0.585 8.954 8.310 0.098 0.000 0.480 200 N N 2.523 121.287 118.700 0.106 0.000 2.142 200 N HA -0.193 4.547 4.740 0.000 0.000 0.186 200 N C 1.565 177.205 175.510 0.216 0.000 1.023 200 N CA 3.278 56.402 53.050 0.124 0.000 0.852 200 N CB -0.544 38.008 38.487 0.108 0.000 0.998 200 N HN -0.046 8.478 8.380 0.112 -0.076 0.424 201 F N 1.092 121.078 119.950 0.059 0.000 2.146 201 F HA -0.123 4.404 4.527 0.000 0.000 0.298 201 F C 1.273 177.107 175.800 0.057 0.000 1.096 201 F CA 2.215 60.267 58.000 0.087 0.000 1.275 201 F CB -0.143 38.907 39.000 0.084 0.000 1.008 201 F HN -0.326 8.426 8.300 0.327 -0.256 0.480 202 T N 2.136 116.627 114.554 -0.106 0.000 2.746 202 T HA -0.393 3.957 4.350 0.000 0.000 0.267 202 T C 2.450 176.926 174.700 -0.374 0.000 1.039 202 T CA 4.787 66.674 62.100 -0.356 0.000 1.142 202 T CB -0.553 68.217 68.868 -0.163 0.000 0.866 202 T HN -0.346 7.920 8.240 0.044 0.000 0.444 203 Q N 0.817 120.537 119.800 -0.132 0.000 2.119 203 Q HA -0.236 4.104 4.340 0.000 0.000 0.201 203 Q C 2.044 178.007 176.000 -0.061 0.000 0.972 203 Q CA 2.558 58.299 55.803 -0.103 0.000 0.847 203 Q CB -0.592 28.139 28.738 -0.012 0.000 0.903 203 Q HN 0.101 8.244 8.270 -0.035 0.106 0.433 204 Y N 2.006 122.277 120.300 -0.048 0.000 2.165 204 Y HA -0.429 4.121 4.550 0.000 0.000 0.286 204 Y C 1.777 177.644 175.900 -0.055 0.000 1.155 204 Y CA 3.663 61.775 58.100 0.020 0.000 1.164 204 Y CB -0.101 38.469 38.460 0.184 0.000 0.978 204 Y HN -0.034 8.388 8.280 0.237 0.000 0.513 205 L N -4.906 116.151 121.223 -0.276 0.000 2.141 205 L HA -0.380 3.960 4.340 0.000 0.000 0.209 205 L C 1.868 178.462 176.870 -0.459 0.000 1.094 205 L CA 2.833 57.439 54.840 -0.391 0.000 0.763 205 L CB -0.632 41.194 42.059 -0.390 0.000 0.908 205 L HN -0.340 7.774 8.230 -0.194 0.000 0.437 206 T N -4.671 109.503 114.554 -0.633 0.000 2.951 206 T HA -0.274 4.076 4.350 0.000 0.000 0.268 206 T C 2.027 176.533 174.700 -0.323 0.000 1.073 206 T CA 3.302 64.975 62.100 -0.712 0.000 1.134 206 T CB -0.674 67.773 68.868 -0.700 0.000 0.884 206 T HN -0.464 7.287 8.240 -0.631 0.110 0.479 207 Q N 1.873 121.520 119.800 -0.255 0.000 2.137 207 Q HA -0.199 4.141 4.340 0.000 0.000 0.198 207 Q C 2.325 178.206 176.000 -0.200 0.000 0.960 207 Q CA 2.748 58.446 55.803 -0.176 0.000 0.847 207 Q CB -0.360 28.286 28.738 -0.153 0.000 0.915 207 Q HN -0.467 7.497 8.270 -0.293 0.129 0.448 208 L N -0.331 120.720 121.223 -0.287 0.000 2.079 208 L HA -0.423 3.917 4.340 0.000 0.000 0.210 208 L C 1.993 178.852 176.870 -0.019 0.000 1.081 208 L CA 3.223 57.984 54.840 -0.132 0.000 0.752 208 L CB -0.413 41.573 42.059 -0.121 0.000 0.896 208 L HN -0.323 7.644 8.230 -0.438 0.000 0.433 209 M N -1.184 118.383 119.600 -0.056 0.000 2.065 209 M HA -0.515 3.965 4.480 0.000 0.000 0.259 209 M C 2.321 178.650 176.300 0.048 0.000 1.069 209 M CA 4.084 59.392 55.300 0.012 0.000 1.110 209 M CB -0.710 31.892 32.600 0.003 0.000 1.328 209 M HN -0.605 7.596 8.290 -0.132 0.010 0.405 210 D N -1.101 119.324 120.400 0.042 0.000 2.133 210 D HA -0.285 4.355 4.640 0.000 0.000 0.195 210 D C 2.038 178.308 176.300 -0.049 0.000 0.997 210 D CA 2.932 56.952 54.000 0.032 0.000 0.840 210 D CB -0.530 40.286 40.800 0.028 0.000 0.947 210 D HN -0.529 7.851 8.370 0.017 0.000 0.452 211 E N -2.182 117.934 120.200 -0.139 0.000 2.033 211 E HA -0.138 4.212 4.350 0.000 0.000 0.189 211 E C 1.565 177.976 176.600 -0.314 0.000 0.979 211 E CA 1.947 58.154 56.400 -0.322 0.000 0.802 211 E CB 0.422 29.771 29.700 -0.585 0.000 0.763 211 E HN -0.577 7.611 8.360 -0.132 0.094 0.449 212 Y N -4.842 115.446 120.300 -0.021 0.000 2.481 212 Y HA 0.070 4.620 4.550 0.000 0.000 0.258 212 Y C 0.080 175.973 175.900 -0.013 0.000 1.103 212 Y CA 1.341 59.430 58.100 -0.017 0.000 1.287 212 Y CB 1.783 40.230 38.460 -0.021 0.000 1.108 212 Y HN -0.232 8.058 8.280 0.017 0.000 0.529 213 L N -1.693 119.607 121.223 0.128 0.000 2.783 213 L HA 0.586 4.926 4.340 0.000 0.000 0.265 213 L C -1.589 175.310 176.870 0.048 0.000 1.398 213 L CA -2.508 52.375 54.840 0.071 0.000 0.802 213 L CB 0.269 42.353 42.059 0.042 0.000 1.126 213 L HN -0.341 7.952 8.230 0.105 0.000 0.529 214 P HA -0.035 4.385 4.420 0.000 0.000 0.225 214 P C -0.434 176.878 177.300 0.019 0.000 1.148 214 P CA 1.696 64.811 63.100 0.026 0.000 0.779 214 P CB -0.207 31.499 31.700 0.009 0.000 0.780 215 S N -3.053 112.656 115.700 0.015 0.000 2.593 215 S HA -0.029 4.441 4.470 0.000 0.000 0.217 215 S C -0.016 174.583 174.600 -0.002 0.000 0.966 215 S CA 0.071 58.273 58.200 0.004 0.000 0.914 215 S CB 0.283 63.486 63.200 0.004 0.000 0.776 215 S HN -0.290 7.994 8.310 0.019 0.038 0.523 216 L N 2.055 123.282 121.223 0.007 0.000 2.344 216 L HA 0.289 4.629 4.340 0.000 0.000 0.272 216 L C 0.094 176.966 176.870 0.003 0.000 1.035 216 L CA -0.676 54.162 54.840 -0.002 0.000 0.807 216 L CB 1.385 43.431 42.059 -0.021 0.000 1.237 216 L HN -0.597 7.595 8.230 0.023 0.052 0.442 217 T N -1.578 112.956 114.554 -0.033 0.000 2.945 217 T HA 0.471 4.821 4.350 0.000 0.000 0.286 217 T C -1.861 172.802 174.700 -0.061 0.000 1.025 217 T CA -1.551 60.476 62.100 -0.120 0.000 1.039 217 T CB 1.832 70.632 68.868 -0.113 0.000 1.068 217 T HN 0.297 8.862 8.240 -0.030 -0.344 0.497 218 Y N -4.843 115.427 120.300 -0.050 0.000 2.615 218 Y HA 0.929 5.479 4.550 0.000 0.000 0.341 218 Y C -1.575 174.247 175.900 -0.130 0.000 1.089 218 Y CA -2.356 55.674 58.100 -0.116 0.000 1.049 218 Y CB 2.173 40.607 38.460 -0.045 0.000 1.296 218 Y HN 0.050 7.947 8.280 -0.638 0.000 0.470 219 G N -2.158 106.605 108.800 -0.061 0.000 2.870 219 G HA2 0.375 4.335 3.960 0.000 0.000 0.299 219 G HA3 0.375 4.335 3.960 0.000 0.000 0.299 219 G C -3.517 171.094 174.900 -0.481 0.000 1.324 219 G CA -1.186 43.842 45.100 -0.120 0.000 0.808 219 G HN 0.177 8.399 8.290 -0.113 0.000 0.535 220 F N -3.210 116.879 119.950 0.230 0.000 2.601 220 F HA 0.716 5.243 4.527 0.000 0.000 0.309 220 F C -2.023 173.882 175.800 0.174 0.000 1.089 220 F CA -0.516 57.615 58.000 0.218 0.000 0.940 220 F CB 4.080 43.190 39.000 0.183 0.000 1.273 220 F HN -0.075 8.392 8.300 0.278 0.000 0.450 221 D N -0.981 119.613 120.400 0.323 0.000 2.725 221 D HA 0.222 4.862 4.640 0.000 0.000 0.292 221 D C -2.383 174.026 176.300 0.180 0.000 1.288 221 D CA -0.815 53.330 54.000 0.241 0.000 0.784 221 D CB 4.146 45.104 40.800 0.264 0.000 1.308 221 D HN 0.052 8.622 8.370 0.333 0.000 0.429 222 T N -4.010 110.625 114.554 0.135 0.000 2.887 222 T HA 0.528 4.878 4.350 0.000 0.000 0.288 222 T C -0.077 174.662 174.700 0.065 0.000 1.021 222 T CA -1.952 60.195 62.100 0.078 0.000 1.000 222 T CB 2.513 71.403 68.868 0.037 0.000 1.034 222 T HN -0.092 8.230 8.240 0.137 0.000 0.467 223 c N 2.003 120.632 118.600 0.049 0.000 2.486 223 c HA 0.054 4.624 4.570 0.000 0.000 0.279 223 c C 1.235 175.358 174.090 0.055 0.000 1.302 223 c CA 0.261 56.626 56.329 0.061 0.000 1.720 223 c CB 0.392 42.749 42.510 -0.255 0.000 2.030 223 c HN 0.428 8.974 8.230 0.038 -0.293 0.490 224 G N -2.232 106.617 108.800 0.081 0.000 2.175 224 G HA2 -0.267 3.693 3.960 0.000 0.000 0.244 224 G HA3 -0.267 3.693 3.960 0.000 0.000 0.244 224 G C -1.300 173.796 174.900 0.327 0.000 0.982 224 G CA 0.423 45.611 45.100 0.146 0.000 0.641 224 G HN 0.102 8.738 8.290 0.067 -0.306 0.527 225 Y N -5.596 114.773 120.300 0.114 0.000 2.779 225 Y HA 0.200 4.750 4.550 0.000 0.000 0.340 225 Y C -2.613 173.248 175.900 -0.065 0.000 1.252 225 Y CA -3.338 54.813 58.100 0.084 0.000 1.072 225 Y CB 0.224 38.697 38.460 0.023 0.000 1.343 225 Y HN -0.741 7.527 8.280 0.095 0.069 0.450 226 A N 1.909 124.474 122.820 -0.426 0.000 2.671 226 A HA 0.115 4.435 4.320 0.000 0.000 0.306 226 A C -0.040 177.171 177.584 -0.621 0.000 1.473 226 A CA -0.216 51.303 52.037 -0.863 0.000 1.155 226 A CB -1.338 17.184 19.000 -0.796 0.000 1.123 226 A HN 0.301 8.387 8.150 -0.108 0.000 0.545 227 c N -0.983 117.169 118.600 -0.747 0.000 2.626 227 c HA 0.188 4.758 4.570 0.000 0.000 0.266 227 c C 0.212 174.139 174.090 -0.272 0.000 1.317 227 c CA -1.429 54.545 56.329 -0.591 0.000 1.716 227 c CB -0.814 41.229 42.510 -0.778 0.000 1.819 227 c HN 0.329 8.139 8.230 -0.700 0.000 0.578 228 S N -1.422 114.124 115.700 -0.257 0.000 2.683 228 S HA 0.098 4.568 4.470 0.000 0.000 0.269 228 S C -0.316 174.140 174.600 -0.240 0.000 1.165 228 S CA -1.011 57.119 58.200 -0.117 0.000 0.840 228 S CB 1.007 64.285 63.200 0.129 0.000 1.169 228 S HN -0.825 7.227 8.310 -0.431 0.000 0.490 229 D N 2.271 122.619 120.400 -0.087 0.000 2.221 229 D HA -0.236 4.404 4.640 0.000 0.000 0.204 229 D C 1.741 178.010 176.300 -0.052 0.000 0.982 229 D CA 3.577 57.473 54.000 -0.174 0.000 0.857 229 D CB -0.022 40.648 40.800 -0.217 0.000 0.934 229 D HN 0.742 9.137 8.370 0.041 0.000 0.475 230 H N -2.368 116.775 119.070 0.122 0.000 2.489 230 H HA -0.167 4.389 4.556 0.000 0.000 0.293 230 H C 0.839 176.307 175.328 0.232 0.000 1.066 230 H CA 2.087 58.290 56.048 0.259 0.000 1.305 230 H CB -1.027 28.849 29.762 0.191 0.000 1.386 230 H HN -0.086 8.344 8.280 0.305 0.033 0.551 231 A N -2.112 120.337 122.820 -0.618 0.000 2.168 231 A HA -0.149 4.171 4.320 0.000 0.000 0.215 231 A C 1.944 179.478 177.584 -0.082 0.000 1.152 231 A CA 2.132 53.976 52.037 -0.322 0.000 0.716 231 A CB -1.295 17.263 19.000 -0.737 0.000 0.794 231 A HN -0.019 7.499 8.150 -1.001 0.031 0.465 232 S N 0.515 116.131 115.700 -0.139 0.000 2.362 232 S HA -0.220 4.250 4.470 0.000 0.000 0.221 232 S C 2.010 176.568 174.600 -0.070 0.000 1.032 232 S CA 3.228 61.313 58.200 -0.191 0.000 0.973 232 S CB 0.181 63.135 63.200 -0.411 0.000 0.849 232 S HN -0.300 7.725 8.310 -0.193 0.169 0.465 233 W N 0.884 122.246 121.300 0.103 0.000 2.379 233 W HA -0.325 4.335 4.660 0.000 0.000 0.307 233 W C 2.154 178.839 176.519 0.276 0.000 1.200 233 W CA 3.704 61.202 57.345 0.255 0.000 1.297 233 W CB -0.026 29.577 29.460 0.238 0.000 1.140 233 W HN -0.836 7.466 8.180 0.203 0.000 0.507 234 H N -0.559 118.740 119.070 0.383 0.000 2.289 234 H HA -0.416 4.140 4.556 0.000 0.000 0.296 234 H C 2.987 178.418 175.328 0.171 0.000 1.091 234 H CA 4.270 60.482 56.048 0.274 0.000 1.274 234 H CB 0.031 29.973 29.762 0.300 0.000 1.364 234 H HN 0.192 8.817 8.280 0.575 0.000 0.490 235 N N -0.306 118.493 118.700 0.165 0.000 2.289 235 N HA -0.270 4.470 4.740 0.000 0.000 0.184 235 N C 0.957 176.450 175.510 -0.029 0.000 1.016 235 N CA 2.091 55.178 53.050 0.061 0.000 0.872 235 N CB 0.194 38.740 38.487 0.098 0.000 0.973 235 N HN -0.252 8.309 8.380 0.302 0.000 0.433 236 A N -3.843 118.972 122.820 -0.009 0.000 2.218 236 A HA 0.219 4.539 4.320 0.000 0.000 0.209 236 A C -0.804 176.636 177.584 -0.239 0.000 1.168 236 A CA -0.012 51.987 52.037 -0.064 0.000 0.804 236 A CB 0.217 19.246 19.000 0.048 0.000 0.834 236 A HN -0.333 7.829 8.150 0.066 0.028 0.482 237 G N -4.924 103.742 108.800 -0.223 0.000 2.184 237 G HA2 -0.278 3.682 3.960 0.000 0.000 0.206 237 G HA3 -0.278 3.682 3.960 0.000 0.000 0.206 237 G C -0.357 174.377 174.900 -0.277 0.000 0.995 237 G CA -0.151 44.764 45.100 -0.308 0.000 0.651 237 G HN -0.584 7.451 8.290 -0.124 0.180 0.511 238 Y N 1.137 121.535 120.300 0.163 0.000 2.354 238 Y HA 0.236 4.786 4.550 0.000 0.000 0.322 238 Y C -1.940 174.073 175.900 0.188 0.000 1.253 238 Y CA -2.409 55.806 58.100 0.193 0.000 1.272 238 Y CB 0.177 38.830 38.460 0.321 0.000 1.255 238 Y HN -0.281 8.067 8.280 0.113 0.000 0.500 239 P HA 0.060 4.480 4.420 0.000 0.000 0.276 239 P C -2.218 175.304 177.300 0.370 0.000 1.253 239 P CA -0.182 63.091 63.100 0.289 0.000 0.766 239 P CB 0.289 32.077 31.700 0.147 0.000 0.845 240 A N 4.181 127.284 122.820 0.471 0.000 2.380 240 A HA 0.927 5.247 4.320 0.000 0.000 0.315 240 A C -2.567 175.257 177.584 0.399 0.000 1.101 240 A CA -1.863 50.451 52.037 0.462 0.000 0.771 240 A CB 3.434 22.739 19.000 0.508 0.000 1.287 240 A HN 0.194 8.620 8.150 0.461 0.000 0.436 241 A N 0.126 123.086 122.820 0.234 0.000 2.572 241 A HA 0.751 5.071 4.320 0.000 0.000 0.295 241 A C -2.895 174.667 177.584 -0.036 0.000 1.072 241 A CA -0.607 51.409 52.037 -0.036 0.000 0.691 241 A CB 3.630 22.315 19.000 -0.526 0.000 1.291 241 A HN 0.147 8.464 8.150 0.278 0.000 0.404 242 M N 0.786 120.333 119.600 -0.087 0.000 2.035 242 M HA 0.533 5.013 4.480 0.000 0.000 0.286 242 M C -3.044 173.269 176.300 0.023 0.000 0.907 242 M CA -3.450 51.798 55.300 -0.088 0.000 0.935 242 M CB 3.267 35.655 32.600 -0.354 0.000 1.557 242 M HN 0.539 8.792 8.290 -0.061 0.000 0.426 243 P HA 0.289 4.709 4.420 0.000 0.000 0.276 243 P C -1.982 175.398 177.300 0.133 0.000 1.264 243 P CA -0.365 62.681 63.100 -0.089 0.000 0.769 243 P CB -0.679 30.991 31.700 -0.050 0.000 0.840 244 F N 5.548 125.449 119.950 -0.081 0.000 2.541 244 F HA 0.412 4.939 4.527 0.000 0.000 0.331 244 F C -0.820 174.996 175.800 0.028 0.000 1.057 244 F CA -2.983 54.972 58.000 -0.075 0.000 0.975 244 F CB 4.456 43.416 39.000 -0.067 0.000 1.246 244 F HN 0.588 8.805 8.300 0.050 0.112 0.484 245 E N 0.437 120.249 120.200 -0.648 0.000 2.418 245 E HA -0.169 4.181 4.350 0.000 0.000 0.197 245 E C -0.931 175.596 176.600 -0.123 0.000 1.026 245 E CA 1.873 58.104 56.400 -0.281 0.000 0.862 245 E CB 0.134 29.620 29.700 -0.357 0.000 0.799 245 E HN 0.176 7.816 8.360 -1.199 0.000 0.518 246 S N -4.188 111.366 115.700 -0.243 0.000 2.683 246 S HA 0.133 4.603 4.470 0.000 0.000 0.269 246 S C -1.392 173.362 174.600 0.257 0.000 1.165 246 S CA -1.273 56.945 58.200 0.030 0.000 0.840 246 S CB 2.217 65.444 63.200 0.045 0.000 1.169 246 S HN -0.849 7.089 8.310 -0.543 0.046 0.490 247 K N -0.288 120.266 120.400 0.257 0.000 2.168 247 K HA 0.239 4.559 4.320 0.000 0.000 0.258 247 K C 0.716 177.583 176.600 0.446 0.000 1.010 247 K CA -1.255 55.229 56.287 0.327 0.000 0.929 247 K CB 0.201 32.846 32.500 0.241 0.000 0.998 247 K HN -0.011 8.347 8.250 0.180 0.000 0.479 248 F N 4.091 124.247 119.950 0.345 0.000 2.025 248 F HA -0.466 4.061 4.527 0.000 0.000 0.297 248 F C 0.768 176.771 175.800 0.337 0.000 1.132 248 F CA 4.323 62.563 58.000 0.400 0.000 1.191 248 F CB 0.425 39.578 39.000 0.255 0.000 0.963 248 F HN 0.528 9.474 8.300 0.508 -0.341 0.481 249 N N -4.420 114.521 118.700 0.401 0.000 2.567 249 N HA -0.176 4.564 4.740 0.000 0.000 0.195 249 N C -0.287 175.209 175.510 -0.023 0.000 1.242 249 N CA 1.293 54.432 53.050 0.149 0.000 0.884 249 N CB -0.628 37.979 38.487 0.200 0.000 1.007 249 N HN 0.263 8.923 8.380 0.466 0.000 0.450 250 D N -0.982 119.431 120.400 0.021 0.000 2.503 250 D HA 0.208 4.848 4.640 0.000 0.000 0.218 250 D C -0.570 175.770 176.300 0.066 0.000 1.183 250 D CA -0.380 53.637 54.000 0.029 0.000 0.827 250 D CB 0.867 41.724 40.800 0.095 0.000 1.034 250 D HN -0.243 7.997 8.370 0.132 0.209 0.510 251 Y N -0.572 119.754 120.300 0.044 0.000 2.299 251 Y HA -0.046 4.504 4.550 0.000 0.000 0.335 251 Y C -0.382 175.447 175.900 -0.118 0.000 1.287 251 Y CA -2.344 55.767 58.100 0.017 0.000 1.424 251 Y CB 0.443 38.966 38.460 0.106 0.000 1.326 251 Y HN -0.696 7.476 8.280 -0.180 0.000 0.567 252 N N 1.623 120.256 118.700 -0.112 0.000 2.182 252 N HA -0.186 4.554 4.740 0.000 0.000 0.283 252 N C -0.244 175.069 175.510 -0.327 0.000 1.380 252 N CA -0.397 52.230 53.050 -0.706 0.000 0.874 252 N CB 0.292 38.398 38.487 -0.633 0.000 1.190 252 N HN -0.115 8.546 8.380 0.050 -0.250 0.494 253 P HA 0.091 4.511 4.420 0.000 0.000 0.241 253 P C -0.383 176.828 177.300 -0.148 0.000 1.191 253 P CA 1.647 64.603 63.100 -0.238 0.000 0.771 253 P CB -0.060 31.519 31.700 -0.201 0.000 0.929 254 R N -3.588 116.815 120.500 -0.161 0.000 2.300 254 R HA 0.111 4.451 4.340 0.000 0.000 0.199 254 R C -0.273 175.997 176.300 -0.051 0.000 0.920 254 R CA -1.403 54.641 56.100 -0.095 0.000 1.046 254 R CB -0.297 29.940 30.300 -0.105 0.000 0.984 254 R HN -0.248 7.793 8.270 -0.251 0.079 0.493 255 I N -5.314 115.222 120.570 -0.058 0.000 2.813 255 I HA -0.198 3.972 4.170 0.000 0.000 0.287 255 I C 0.103 176.236 176.117 0.027 0.000 1.196 255 I CA 1.110 62.394 61.300 -0.028 0.000 1.421 255 I CB 0.114 38.060 38.000 -0.090 0.000 1.365 255 I HN -0.736 7.383 8.210 -0.076 0.046 0.591 256 H N -0.971 118.123 119.070 0.040 0.000 2.936 256 H HA -0.450 4.106 4.556 0.000 0.000 0.276 256 H C -1.093 174.244 175.328 0.015 0.000 1.216 256 H CA -0.168 55.901 56.048 0.034 0.000 1.132 256 H CB -2.160 27.626 29.762 0.040 0.000 1.303 256 H HN 0.682 9.110 8.280 0.247 0.000 0.370 257 T N -6.904 107.715 114.554 0.109 0.000 2.812 257 T HA 0.293 4.643 4.350 0.000 0.000 0.294 257 T C 0.547 175.266 174.700 0.033 0.000 1.159 257 T CA -1.681 60.450 62.100 0.052 0.000 1.008 257 T CB 2.275 71.162 68.868 0.031 0.000 1.289 257 T HN -0.552 7.717 8.240 0.102 0.033 0.514 258 T N -5.671 108.892 114.554 0.015 0.000 3.051 258 T HA -0.084 4.266 4.350 0.000 0.000 0.269 258 T C 0.809 175.512 174.700 0.006 0.000 1.127 258 T CA 2.142 64.246 62.100 0.008 0.000 1.107 258 T CB -0.496 68.372 68.868 -0.000 0.000 0.898 258 T HN 0.221 8.467 8.240 0.010 0.000 0.517 259 Q N -0.695 119.107 119.800 0.003 0.000 2.222 259 Q HA 0.204 4.544 4.340 0.000 0.000 0.206 259 Q C -0.956 175.038 176.000 -0.009 0.000 0.877 259 Q CA -1.677 54.123 55.803 -0.005 0.000 0.958 259 Q CB -0.281 28.450 28.738 -0.012 0.000 1.075 259 Q HN -0.579 7.627 8.270 0.004 0.067 0.483 260 D N 2.449 122.848 120.400 -0.000 0.000 2.558 260 D HA 0.076 4.716 4.640 0.000 0.000 0.221 260 D C -1.583 174.721 176.300 0.007 0.000 1.143 260 D CA -0.734 53.265 54.000 -0.003 0.000 1.010 260 D CB -0.680 40.129 40.800 0.015 0.000 1.068 260 D HN -0.567 7.740 8.370 0.011 0.070 0.511 261 T N -2.052 112.505 114.554 0.005 0.000 2.949 261 T HA 0.566 4.916 4.350 0.000 0.000 0.287 261 T C 0.916 175.625 174.700 0.016 0.000 1.034 261 T CA -2.630 59.475 62.100 0.008 0.000 1.018 261 T CB 3.240 72.110 68.868 0.003 0.000 1.135 261 T HN -0.649 7.557 8.240 0.001 0.034 0.532 262 L N 1.470 122.702 121.223 0.015 0.000 2.042 262 L HA -0.317 4.023 4.340 0.000 0.000 0.210 262 L C 1.247 178.133 176.870 0.027 0.000 1.076 262 L CA 3.182 58.035 54.840 0.023 0.000 0.749 262 L CB -0.495 41.574 42.059 0.016 0.000 0.893 262 L HN 0.468 9.044 8.230 0.008 -0.341 0.432 263 A N -2.491 120.340 122.820 0.019 0.000 1.986 263 A HA -0.328 3.992 4.320 0.000 0.000 0.220 263 A C 1.092 178.695 177.584 0.032 0.000 1.171 263 A CA 2.757 54.806 52.037 0.020 0.000 0.640 263 A CB -0.930 18.076 19.000 0.011 0.000 0.811 263 A HN 0.305 8.462 8.150 0.012 0.000 0.451 264 N N -4.593 114.130 118.700 0.038 0.000 2.336 264 N HA 0.186 4.926 4.740 0.000 0.000 0.189 264 N C -0.240 175.346 175.510 0.126 0.000 1.113 264 N CA 0.612 53.697 53.050 0.058 0.000 0.858 264 N CB 1.051 39.551 38.487 0.022 0.000 0.970 264 N HN -0.440 7.828 8.380 0.029 0.130 0.471 265 S N -0.583 115.193 115.700 0.127 0.000 3.252 265 S HA 0.080 4.550 4.470 0.000 0.000 0.175 265 S C -1.058 173.609 174.600 0.112 0.000 0.799 265 S CA 0.048 58.377 58.200 0.215 0.000 0.985 265 S CB 1.617 64.907 63.200 0.151 0.000 1.036 265 S HN -0.346 7.851 8.310 0.080 0.161 0.821 266 D N -0.230 120.213 120.400 0.071 0.000 2.386 266 D HA 0.462 5.102 4.640 0.000 0.000 0.247 266 D C -1.534 174.789 176.300 0.039 0.000 1.336 266 D CA -2.392 51.632 54.000 0.039 0.000 0.976 266 D CB 2.353 43.178 40.800 0.042 0.000 1.257 266 D HN -0.144 8.272 8.370 0.076 0.000 0.570 267 P HA 0.053 4.473 4.420 0.000 0.000 0.245 267 P C -0.431 176.884 177.300 0.025 0.000 1.212 267 P CA 0.709 63.824 63.100 0.025 0.000 0.774 267 P CB 0.305 32.016 31.700 0.017 0.000 0.999 268 T N -8.119 106.451 114.554 0.027 0.000 3.057 268 T HA 0.160 4.510 4.350 0.000 0.000 0.254 268 T C 1.643 176.367 174.700 0.039 0.000 1.094 268 T CA -0.015 62.102 62.100 0.028 0.000 1.088 268 T CB 0.128 69.009 68.868 0.022 0.000 0.934 268 T HN -0.529 7.914 8.240 0.025 -0.187 0.497 269 G N 2.267 111.098 108.800 0.051 0.000 2.162 269 G HA2 -0.362 3.598 3.960 0.000 0.000 0.260 269 G HA3 -0.362 3.598 3.960 0.000 0.000 0.260 269 G C 0.530 175.477 174.900 0.079 0.000 0.976 269 G CA 0.769 45.907 45.100 0.065 0.000 0.655 269 G HN -0.260 8.020 8.290 0.050 0.040 0.533 270 S N 1.878 117.625 115.700 0.078 0.000 2.356 270 S HA -0.407 4.063 4.470 0.000 0.000 0.223 270 S C 1.230 175.921 174.600 0.151 0.000 1.032 270 S CA 4.096 62.349 58.200 0.088 0.000 1.005 270 S CB 0.073 63.311 63.200 0.064 0.000 0.867 270 S HN -0.599 7.690 8.310 0.064 0.059 0.449 271 H N 1.940 121.045 119.070 0.058 0.000 2.333 271 H HA -0.151 4.405 4.556 0.000 0.000 0.302 271 H C 2.035 177.500 175.328 0.228 0.000 1.075 271 H CA 2.800 58.916 56.048 0.114 0.000 1.348 271 H CB 0.235 30.043 29.762 0.077 0.000 1.393 271 H HN -0.296 8.414 8.280 0.224 -0.295 0.509 272 A N -1.321 121.610 122.820 0.184 0.000 2.019 272 A HA -0.269 4.051 4.320 0.000 0.000 0.219 272 A C 1.428 179.106 177.584 0.156 0.000 1.164 272 A CA 2.810 54.928 52.037 0.137 0.000 0.644 272 A CB -0.845 18.193 19.000 0.064 0.000 0.805 272 A HN -0.214 8.300 8.150 0.184 -0.254 0.449 273 K N -2.200 118.269 120.400 0.116 0.000 2.209 273 K HA -0.323 3.997 4.320 0.000 0.000 0.204 273 K C 1.881 178.518 176.600 0.062 0.000 1.048 273 K CA 3.107 59.443 56.287 0.082 0.000 0.940 273 K CB -0.245 32.293 32.500 0.063 0.000 0.729 273 K HN -0.156 8.145 8.250 0.115 0.018 0.451 274 K N -0.914 119.510 120.400 0.040 0.000 2.002 274 K HA -0.322 3.998 4.320 0.000 0.000 0.209 274 K C 2.590 179.100 176.600 -0.150 0.000 1.048 274 K CA 3.165 59.395 56.287 -0.096 0.000 0.930 274 K CB -0.179 32.165 32.500 -0.260 0.000 0.714 274 K HN -0.558 7.617 8.250 0.078 0.122 0.438 275 F N -2.546 117.337 119.950 -0.112 0.000 2.293 275 F HA -0.207 4.320 4.527 0.000 0.000 0.300 275 F C 2.375 178.159 175.800 -0.027 0.000 1.086 275 F CA 3.549 61.492 58.000 -0.094 0.000 1.375 275 F CB -0.512 38.408 39.000 -0.133 0.000 1.045 275 F HN -0.636 7.809 8.300 0.242 0.000 0.516 276 T N 2.776 117.422 114.554 0.154 0.000 2.770 276 T HA -0.285 4.065 4.350 0.000 0.000 0.263 276 T C 2.133 176.880 174.700 0.078 0.000 1.039 276 T CA 4.655 66.822 62.100 0.113 0.000 1.142 276 T CB -0.587 68.333 68.868 0.088 0.000 0.868 276 T HN -0.093 8.110 8.240 0.152 0.128 0.435 277 Q N 1.711 121.538 119.800 0.045 0.000 2.170 277 Q HA -0.311 4.029 4.340 0.000 0.000 0.203 277 Q C 2.367 178.379 176.000 0.019 0.000 0.976 277 Q CA 3.139 58.954 55.803 0.020 0.000 0.858 277 Q CB -0.226 28.516 28.738 0.006 0.000 0.907 277 Q HN -0.039 8.256 8.270 0.042 0.000 0.433 278 L N -0.204 121.028 121.223 0.015 0.000 2.056 278 L HA -0.268 4.072 4.340 0.000 0.000 0.207 278 L C 1.677 178.613 176.870 0.109 0.000 1.078 278 L CA 2.986 57.843 54.840 0.027 0.000 0.749 278 L CB -0.469 41.565 42.059 -0.043 0.000 0.901 278 L HN -0.153 8.074 8.230 -0.005 0.000 0.433 279 G N -1.770 107.112 108.800 0.137 0.000 2.442 279 G HA2 -0.376 3.584 3.960 0.000 0.000 0.219 279 G HA3 -0.376 3.584 3.960 0.000 0.000 0.219 279 G C 0.963 176.009 174.900 0.243 0.000 1.141 279 G CA 2.238 47.479 45.100 0.235 0.000 0.763 279 G HN -0.226 8.130 8.290 0.111 0.000 0.554 280 L N 1.319 122.618 121.223 0.128 0.000 2.109 280 L HA -0.143 4.197 4.340 0.000 0.000 0.207 280 L C 1.379 178.245 176.870 -0.006 0.000 1.086 280 L CA 2.308 57.182 54.840 0.056 0.000 0.760 280 L CB -0.439 41.628 42.059 0.012 0.000 0.910 280 L HN -0.038 8.166 8.230 0.099 0.085 0.437 281 A N -0.465 122.344 122.820 -0.019 0.000 1.902 281 A HA -0.332 3.988 4.320 0.000 0.000 0.217 281 A C 1.572 179.190 177.584 0.057 0.000 1.181 281 A CA 3.126 55.098 52.037 -0.109 0.000 0.623 281 A CB -1.099 17.845 19.000 -0.093 0.000 0.818 281 A HN 0.010 8.168 8.150 0.014 0.000 0.443 282 Y N -0.059 120.270 120.300 0.048 0.000 2.181 282 Y HA -0.510 4.040 4.550 -0.000 0.000 0.288 282 Y C 1.407 177.376 175.900 0.116 0.000 1.146 282 Y CA 2.951 61.134 58.100 0.139 0.000 1.164 282 Y CB -0.155 38.409 38.460 0.173 0.000 0.982 282 Y HN -0.006 8.443 8.280 0.281 0.000 0.515 283 A N -0.838 121.927 122.820 -0.091 0.000 1.898 283 A HA -0.308 4.012 4.320 0.000 0.000 0.216 283 A C 2.345 179.891 177.584 -0.064 0.000 1.181 283 A CA 2.880 54.813 52.037 -0.174 0.000 0.620 283 A CB -0.771 18.225 19.000 -0.006 0.000 0.819 283 A HN -0.196 8.020 8.150 0.111 0.000 0.442 284 I N -1.657 118.857 120.570 -0.093 0.000 2.163 284 I HA -0.582 3.588 4.170 0.000 0.000 0.240 284 I C 2.127 178.261 176.117 0.029 0.000 1.081 284 I CA 4.175 65.424 61.300 -0.085 0.000 1.353 284 I CB -0.253 37.589 38.000 -0.264 0.000 1.054 284 I HN -0.133 8.012 8.210 -0.109 0.000 0.407 285 E N -0.647 119.560 120.200 0.012 0.000 2.023 285 E HA -0.331 4.019 4.350 0.000 0.000 0.196 285 E C 2.843 179.480 176.600 0.062 0.000 1.003 285 E CA 3.010 59.459 56.400 0.083 0.000 0.809 285 E CB -0.167 29.644 29.700 0.185 0.000 0.755 285 E HN -0.254 8.096 8.360 -0.017 0.000 0.449 286 M N -3.459 116.139 119.600 -0.003 0.000 2.492 286 M HA 0.019 4.499 4.480 0.000 0.000 0.262 286 M C 2.545 178.766 176.300 -0.132 0.000 1.090 286 M CA 1.082 56.321 55.300 -0.101 0.000 1.110 286 M CB -0.510 31.938 32.600 -0.254 0.000 1.407 286 M HN -0.029 8.246 8.290 -0.025 0.000 0.470 287 G N -1.797 106.956 108.800 -0.079 0.000 2.683 287 G HA2 -0.114 3.846 3.960 0.000 0.000 0.213 287 G HA3 -0.114 3.846 3.960 0.000 0.000 0.213 287 G C 0.720 175.609 174.900 -0.018 0.000 1.142 287 G CA 1.313 46.388 45.100 -0.043 0.000 0.793 287 G HN -0.037 8.128 8.290 -0.051 0.094 0.534 288 S N 1.115 116.839 115.700 0.040 0.000 2.548 288 S HA 0.021 4.491 4.470 0.000 0.000 0.215 288 S C -1.140 173.447 174.600 -0.022 0.000 0.976 288 S CA 0.565 58.774 58.200 0.016 0.000 0.908 288 S CB 0.426 63.670 63.200 0.074 0.000 0.781 288 S HN -0.275 8.073 8.310 0.064 0.000 0.519 289 A N -1.170 121.629 122.820 -0.035 0.000 2.311 289 A HA 0.234 4.554 4.320 0.000 0.000 0.334 289 A C -1.980 175.559 177.584 -0.075 0.000 1.139 289 A CA -0.907 51.104 52.037 -0.045 0.000 0.830 289 A CB 1.891 20.870 19.000 -0.035 0.000 1.234 289 A HN -0.801 7.279 8.150 -0.037 0.048 0.483 290 T N -5.779 108.732 114.554 -0.072 0.000 2.865 290 T HA 0.398 4.748 4.350 0.000 0.000 0.294 290 T C -0.690 173.968 174.700 -0.070 0.000 1.119 290 T CA -1.814 60.236 62.100 -0.083 0.000 1.007 290 T CB 2.178 70.996 68.868 -0.084 0.000 1.225 290 T HN -0.291 7.914 8.240 -0.057 0.000 0.515 291 G N 0.000 108.759 108.800 -0.068 0.000 5.446 291 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 291 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 291 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 291 G HN 0.000 8.693 8.290 -0.076 -0.449 0.925