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 3kds_1_E DATA FIRST_RESID 156 DATA SEQUENCE KRVTFKDVGG AEEAIEELKE VVEFLKDPSK FNRIGARMPK GILLVGPPGT DATA SEQUENCE GATLLARAVA GEANVPFFHI SGSDFVELFV GVGAARVRDL FAQAKAHAPC DATA SEQUENCE IVFIDEIDAV GRXXXXXXXX XHDEREQTLN QLLVEMDGFD SKEGIIVMAA DATA SEQUENCE TNRPDILDPA LLRPGRFDKK IVVDPPDMLG RKKILEIHTR NKPLAEDVNL DATA SEQUENCE EIIAKRTPGF VGADLENLVN EAALLAAREG RDKITMKDFE EAIDRVIAGP DATA SEQUENCE ARKSLLISPA EKRIIAYHEA GHAVVSTVVP NGEPVHRISI IPRGYKALGY DATA SEQUENCE TLHLPEEDKY LVSRNELLDK LTALLGGRAA EEVVFGDVTS GAANDIERAT DATA SEQUENCE EIARNMVCQL GMSEELGPLA WGKXXXXXXX XXXXXRLRNY SEEVASKIDE DATA SEQUENCE EVKKIVTNCY ERAKEIIRKY RKQLDNIVEI LLEKETIEGD ELRRILSE 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 156 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 156 K C 0.000 176.554 176.600 -0.077 0.000 0.988 156 K CA 0.000 56.254 56.287 -0.055 0.000 0.838 156 K CB 0.000 32.470 32.500 -0.049 0.000 1.064 157 R N 1.845 122.300 120.500 -0.076 0.000 2.570 157 R HA 0.260 4.599 4.340 -0.002 0.000 0.277 157 R C -0.435 175.797 176.300 -0.115 0.000 1.039 157 R CA -0.235 55.807 56.100 -0.097 0.000 1.065 157 R CB 0.425 30.676 30.300 -0.083 0.000 0.964 157 R HN 0.421 8.691 8.270 -0.000 0.000 0.428 158 V N 0.875 120.696 119.914 -0.155 0.000 2.735 158 V HA 0.666 4.785 4.120 -0.002 0.000 0.310 158 V C -0.164 175.805 176.094 -0.209 0.000 1.061 158 V CA -0.630 61.571 62.300 -0.165 0.000 0.913 158 V CB 1.686 33.406 31.823 -0.173 0.000 1.005 158 V HN 0.980 9.170 8.190 -0.000 0.000 0.428 159 T N -0.044 114.398 114.554 -0.187 0.000 2.807 159 T HA 0.582 4.931 4.350 -0.002 0.000 0.277 159 T C 0.582 175.172 174.700 -0.182 0.000 1.006 159 T CA -0.499 61.439 62.100 -0.271 0.000 1.006 159 T CB 1.304 70.055 68.868 -0.196 0.000 1.274 159 T HN 0.413 8.653 8.240 -0.000 0.000 0.569 160 F N 0.646 120.572 119.950 -0.041 0.000 2.333 160 F HA 0.062 4.588 4.527 -0.001 0.000 0.300 160 F C 2.397 178.177 175.800 -0.032 0.000 1.083 160 F CA 0.368 58.349 58.000 -0.033 0.000 1.395 160 F CB -0.322 38.668 39.000 -0.017 0.000 1.056 160 F HN 0.424 8.724 8.300 -0.000 0.000 0.529 161 K N -0.193 120.271 120.400 0.107 0.000 2.504 161 K HA -0.105 4.214 4.320 -0.002 0.000 0.195 161 K C 0.621 177.232 176.600 0.017 0.000 1.036 161 K CA 0.804 57.123 56.287 0.053 0.000 0.984 161 K CB -0.079 32.434 32.500 0.021 0.000 0.788 161 K HN 0.268 8.518 8.250 -0.000 0.000 0.488 162 D N 0.230 120.633 120.400 0.006 0.000 2.398 162 D HA 0.034 4.673 4.640 -0.002 0.000 0.210 162 D C -0.233 176.052 176.300 -0.025 0.000 1.094 162 D CA 0.302 54.283 54.000 -0.031 0.000 0.839 162 D CB 0.848 41.610 40.800 -0.062 0.000 0.963 162 D HN -0.121 8.249 8.370 -0.000 0.000 0.506 163 V N 0.763 120.695 119.914 0.030 0.000 2.483 163 V HA 0.630 4.749 4.120 -0.002 0.000 0.295 163 V C 0.706 176.821 176.094 0.035 0.000 1.035 163 V CA -0.834 61.489 62.300 0.038 0.000 0.896 163 V CB 1.817 33.694 31.823 0.089 0.000 0.986 163 V HN -0.008 8.182 8.190 -0.000 0.000 0.447 164 G N 1.709 110.525 108.800 0.026 0.000 2.417 164 G HA2 0.554 4.513 3.960 -0.002 0.000 0.334 164 G HA3 0.554 4.513 3.960 -0.002 0.000 0.334 164 G C 0.617 175.539 174.900 0.037 0.000 1.150 164 G CA -0.210 44.908 45.100 0.030 0.000 0.923 164 G HN 1.614 9.904 8.290 -0.000 0.000 0.485 165 G N -0.813 108.004 108.800 0.028 0.000 2.371 165 G HA2 0.207 4.166 3.960 -0.002 0.000 0.299 165 G HA3 0.207 4.166 3.960 -0.002 0.000 0.299 165 G C 0.612 175.526 174.900 0.023 0.000 1.014 165 G CA 0.579 45.697 45.100 0.029 0.000 1.097 165 G HN 1.930 10.220 8.290 -0.000 0.000 0.512 166 A N -0.686 122.135 122.820 0.002 0.000 2.573 166 A HA 0.645 4.964 4.320 -0.002 0.000 0.269 166 A C 1.210 178.762 177.584 -0.053 0.000 0.901 166 A CA 0.889 52.918 52.037 -0.013 0.000 1.066 166 A CB 0.270 19.269 19.000 -0.002 0.000 1.221 166 A HN 0.326 8.476 8.150 -0.000 0.000 0.483 167 E N 0.801 120.970 120.200 -0.050 0.000 2.114 167 E HA -0.252 4.097 4.350 -0.002 0.000 0.199 167 E C 1.437 177.984 176.600 -0.088 0.000 1.008 167 E CA 2.174 58.528 56.400 -0.077 0.000 0.810 167 E CB -0.136 29.537 29.700 -0.045 0.000 0.739 167 E HN 0.735 9.095 8.360 -0.000 0.000 0.456 168 E N 0.621 120.787 120.200 -0.057 0.000 2.007 168 E HA -0.158 4.191 4.350 -0.002 0.000 0.194 168 E C 2.080 178.642 176.600 -0.063 0.000 0.999 168 E CA 1.441 57.811 56.400 -0.049 0.000 0.811 168 E CB -0.625 29.058 29.700 -0.028 0.000 0.762 168 E HN 0.296 8.656 8.360 -0.000 0.000 0.450 169 A N 0.855 123.643 122.820 -0.053 0.000 1.927 169 A HA -0.255 4.064 4.320 -0.002 0.000 0.220 169 A C 2.329 179.835 177.584 -0.129 0.000 1.185 169 A CA 1.835 53.839 52.037 -0.055 0.000 0.639 169 A CB -0.978 18.009 19.000 -0.023 0.000 0.820 169 A HN 0.251 8.401 8.150 -0.000 0.000 0.451 170 I N -0.747 119.683 120.570 -0.234 0.000 2.286 170 I HA -0.203 3.966 4.170 -0.002 0.000 0.248 170 I C 2.504 178.373 176.117 -0.413 0.000 1.115 170 I CA 1.170 62.155 61.300 -0.524 0.000 1.392 170 I CB -0.360 37.216 38.000 -0.706 0.000 1.065 170 I HN 0.316 8.526 8.210 -0.000 0.000 0.418 171 E N 0.725 120.793 120.200 -0.220 0.000 2.051 171 E HA -0.206 4.143 4.350 -0.002 0.000 0.192 171 E C 2.071 178.633 176.600 -0.063 0.000 0.991 171 E CA 1.028 57.356 56.400 -0.119 0.000 0.799 171 E CB -0.205 29.451 29.700 -0.074 0.000 0.748 171 E HN 0.440 8.800 8.360 -0.000 0.000 0.449 172 E N 0.467 120.636 120.200 -0.053 0.000 2.118 172 E HA -0.129 4.220 4.350 -0.002 0.000 0.195 172 E C 2.160 178.767 176.600 0.012 0.000 0.992 172 E CA 0.555 56.949 56.400 -0.010 0.000 0.804 172 E CB -0.082 29.616 29.700 -0.004 0.000 0.741 172 E HN 0.271 8.631 8.360 -0.000 0.000 0.458 173 L N 0.461 121.672 121.223 -0.020 0.000 2.554 173 L HA -0.047 4.292 4.340 -0.002 0.000 0.226 173 L C 2.222 179.171 176.870 0.131 0.000 1.137 173 L CA 0.360 55.235 54.840 0.058 0.000 0.863 173 L CB -0.015 42.078 42.059 0.057 0.000 0.985 173 L HN -0.039 8.191 8.230 -0.000 0.000 0.451 174 K N 0.535 120.978 120.400 0.071 0.000 2.155 174 K HA -0.184 4.135 4.320 -0.002 0.000 0.203 174 K C 1.938 178.642 176.600 0.173 0.000 1.052 174 K CA 1.538 57.911 56.287 0.144 0.000 0.948 174 K CB 0.062 32.609 32.500 0.077 0.000 0.728 174 K HN 0.506 8.756 8.250 -0.000 0.000 0.448 175 E N 0.811 121.104 120.200 0.155 0.000 2.072 175 E HA -0.144 4.206 4.350 -0.002 0.000 0.191 175 E C 1.893 178.600 176.600 0.178 0.000 0.985 175 E CA 1.229 57.757 56.400 0.212 0.000 0.801 175 E CB -0.477 29.341 29.700 0.197 0.000 0.750 175 E HN -0.080 8.280 8.360 -0.000 0.000 0.452 176 V N 1.633 121.627 119.914 0.133 0.000 2.287 176 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 176 V C 2.549 178.742 176.094 0.165 0.000 1.053 176 V CA 1.696 64.074 62.300 0.129 0.000 1.027 176 V CB -0.510 31.394 31.823 0.134 0.000 0.646 176 V HN 0.221 8.411 8.190 -0.000 0.000 0.447 177 V N 0.012 120.037 119.914 0.185 0.000 2.282 177 V HA -0.336 3.783 4.120 -0.002 0.000 0.249 177 V C 2.450 178.623 176.094 0.131 0.000 1.057 177 V CA 2.389 64.782 62.300 0.155 0.000 1.032 177 V CB -0.768 31.168 31.823 0.188 0.000 0.645 177 V HN 0.630 8.820 8.190 -0.000 0.000 0.447 178 E N -0.625 119.681 120.200 0.178 0.000 2.051 178 E HA -0.252 4.097 4.350 -0.002 0.000 0.192 178 E C 2.054 178.764 176.600 0.185 0.000 0.991 178 E CA 1.649 58.179 56.400 0.217 0.000 0.799 178 E CB -0.309 29.597 29.700 0.343 0.000 0.748 178 E HN 0.607 8.967 8.360 -0.000 0.000 0.449 179 F N 1.546 121.411 119.950 -0.142 0.000 2.154 179 F HA -0.202 4.324 4.527 -0.001 0.000 0.301 179 F C 1.828 177.528 175.800 -0.167 0.000 1.087 179 F CA 1.278 58.982 58.000 -0.494 0.000 1.274 179 F CB -0.066 38.374 39.000 -0.933 0.000 1.009 179 F HN -0.073 8.227 8.300 -0.000 0.000 0.485 180 L N -0.133 121.021 121.223 -0.115 0.000 2.056 180 L HA -0.198 4.141 4.340 -0.002 0.000 0.207 180 L C 2.481 179.279 176.870 -0.120 0.000 1.078 180 L CA 1.417 56.175 54.840 -0.136 0.000 0.749 180 L CB -0.659 41.404 42.059 0.007 0.000 0.901 180 L HN 0.042 8.272 8.230 -0.000 0.000 0.433 181 K N -0.636 119.737 120.400 -0.044 0.000 2.025 181 K HA -0.129 4.190 4.320 -0.002 0.000 0.207 181 K C 0.349 176.933 176.600 -0.027 0.000 1.049 181 K CA 1.097 57.376 56.287 -0.013 0.000 0.933 181 K CB 0.045 32.566 32.500 0.035 0.000 0.714 181 K HN 0.051 8.301 8.250 -0.000 0.000 0.438 182 D N -0.906 119.483 120.400 -0.018 0.000 2.405 182 D HA 0.169 4.808 4.640 -0.002 0.000 0.264 182 D C -2.324 173.958 176.300 -0.030 0.000 1.240 182 D CA -2.188 51.807 54.000 -0.007 0.000 0.893 182 D CB 1.288 42.125 40.800 0.062 0.000 1.198 182 D HN -0.213 8.157 8.370 -0.000 0.000 0.514 183 P HA -0.182 4.238 4.420 -0.000 0.000 0.217 183 P C 1.546 178.867 177.300 0.036 0.000 1.148 183 P CA 1.204 64.068 63.100 -0.393 0.000 0.828 183 P CB 0.201 31.615 31.700 -0.477 0.000 0.783 184 S N -0.385 115.346 115.700 0.052 0.000 2.370 184 S HA -0.204 4.265 4.470 -0.002 0.000 0.226 184 S C 1.903 176.600 174.600 0.162 0.000 1.033 184 S CA 1.121 59.380 58.200 0.098 0.000 1.011 184 S CB -1.031 62.202 63.200 0.054 0.000 0.852 184 S HN 0.004 8.314 8.310 -0.000 0.000 0.457 185 K N 0.752 121.268 120.400 0.193 0.000 2.160 185 K HA -0.018 4.301 4.320 -0.002 0.000 0.206 185 K C 1.563 178.212 176.600 0.081 0.000 1.047 185 K CA 1.219 57.585 56.287 0.131 0.000 0.930 185 K CB -0.668 31.909 32.500 0.128 0.000 0.720 185 K HN 0.573 8.823 8.250 -0.000 0.000 0.450 186 F N 1.179 121.221 119.950 0.153 0.000 2.188 186 F HA 0.029 4.555 4.527 -0.002 0.000 0.289 186 F C 2.038 177.926 175.800 0.145 0.000 1.082 186 F CA 0.463 58.573 58.000 0.183 0.000 1.282 186 F CB -0.878 38.332 39.000 0.350 0.000 1.060 186 F HN -0.023 8.277 8.300 -0.000 0.000 0.493 187 N N 1.016 119.945 118.700 0.383 0.000 2.094 187 N HA -0.222 4.517 4.740 -0.002 0.000 0.191 187 N C 1.860 177.455 175.510 0.141 0.000 1.023 187 N CA 1.670 54.861 53.050 0.234 0.000 0.857 187 N CB -0.610 37.988 38.487 0.184 0.000 1.013 187 N HN 0.391 8.771 8.380 -0.000 0.000 0.426 188 R N 1.279 121.850 120.500 0.118 0.000 2.096 188 R HA -0.035 4.304 4.340 -0.002 0.000 0.235 188 R C 1.786 178.114 176.300 0.047 0.000 1.127 188 R CA 1.526 57.666 56.100 0.067 0.000 0.968 188 R CB -0.582 29.749 30.300 0.051 0.000 0.861 188 R HN 0.460 8.730 8.270 -0.000 0.000 0.440 189 I N -3.080 117.517 120.570 0.044 0.000 3.927 189 I HA 0.509 4.678 4.170 -0.002 0.000 0.332 189 I C 0.431 176.568 176.117 0.033 0.000 1.485 189 I CA 0.210 61.523 61.300 0.022 0.000 1.131 189 I CB 0.761 38.756 38.000 -0.008 0.000 1.092 189 I HN 0.375 8.585 8.210 -0.000 0.000 0.410 190 G N 1.923 110.760 108.800 0.062 0.000 2.143 190 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.248 190 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.248 190 G C 0.456 175.394 174.900 0.064 0.000 0.991 190 G CA 0.050 45.185 45.100 0.058 0.000 0.689 190 G HN 0.950 9.240 8.290 -0.000 0.000 0.522 191 A N 0.844 123.722 122.820 0.096 0.000 2.666 191 A HA 0.602 4.921 4.320 -0.002 0.000 0.301 191 A C 1.025 178.704 177.584 0.158 0.000 1.470 191 A CA 0.548 52.660 52.037 0.125 0.000 1.159 191 A CB -0.292 18.788 19.000 0.134 0.000 1.116 191 A HN 1.118 9.268 8.150 -0.000 0.000 0.548 192 R N 2.721 123.251 120.500 0.050 0.000 2.390 192 R HA 0.545 4.884 4.340 -0.002 0.000 0.291 192 R C -0.261 175.948 176.300 -0.152 0.000 1.070 192 R CA -0.536 55.546 56.100 -0.031 0.000 1.014 192 R CB 0.565 30.845 30.300 -0.033 0.000 1.007 192 R HN 0.407 8.678 8.270 -0.000 0.000 0.466 193 M N 3.060 122.445 119.600 -0.358 0.000 2.359 193 M HA 0.366 4.845 4.480 -0.002 0.000 0.322 193 M C -2.001 174.135 176.300 -0.273 0.000 1.166 193 M CA -2.686 52.310 55.300 -0.505 0.000 1.067 193 M CB 0.937 32.792 32.600 -1.243 0.000 1.523 193 M HN 0.663 8.953 8.290 -0.000 0.000 0.467 194 P HA 0.195 4.615 4.420 -0.000 0.000 0.271 194 P C -0.382 176.859 177.300 -0.099 0.000 1.218 194 P CA -0.027 62.999 63.100 -0.124 0.000 0.780 194 P CB 0.768 32.419 31.700 -0.081 0.000 0.901 195 K N 0.825 121.165 120.400 -0.099 0.000 2.243 195 K HA 0.159 4.478 4.320 -0.002 0.000 0.201 195 K C 1.198 177.776 176.600 -0.038 0.000 1.051 195 K CA 0.656 56.949 56.287 0.010 0.000 0.970 195 K CB 0.099 32.514 32.500 -0.142 0.000 0.755 195 K HN 0.584 8.834 8.250 -0.000 0.000 0.465 196 G N 1.375 110.013 108.800 -0.269 0.000 2.626 196 G HA2 0.554 4.513 3.960 -0.002 0.000 0.304 196 G HA3 0.554 4.513 3.960 -0.002 0.000 0.304 196 G C -0.995 173.781 174.900 -0.207 0.000 1.385 196 G CA -0.573 44.139 45.100 -0.647 0.000 0.957 196 G HN -0.024 8.266 8.290 -0.000 0.000 0.504 197 I N 1.986 122.573 120.570 0.029 0.000 2.377 197 I HA 0.352 4.521 4.170 -0.002 0.000 0.293 197 I C -0.823 175.509 176.117 0.357 0.000 0.987 197 I CA -0.902 60.508 61.300 0.185 0.000 1.185 197 I CB 2.192 40.276 38.000 0.139 0.000 1.341 197 I HN 0.213 8.423 8.210 -0.000 0.000 0.455 198 L N 7.657 129.052 121.223 0.288 0.000 2.298 198 L HA 0.482 4.821 4.340 -0.002 0.000 0.284 198 L C -0.755 176.198 176.870 0.140 0.000 1.013 198 L CA -0.215 54.755 54.840 0.217 0.000 0.824 198 L CB 1.122 43.275 42.059 0.157 0.000 1.221 198 L HN 0.410 8.640 8.230 -0.000 0.000 0.418 199 L N 6.014 127.322 121.223 0.142 0.000 2.281 199 L HA 0.475 4.814 4.340 -0.002 0.000 0.285 199 L C -0.542 176.378 176.870 0.084 0.000 1.074 199 L CA -0.623 54.288 54.840 0.118 0.000 0.817 199 L CB 1.146 43.297 42.059 0.154 0.000 1.168 199 L HN 0.280 8.510 8.230 -0.000 0.000 0.434 200 V N 2.619 122.570 119.914 0.062 0.000 2.417 200 V HA 0.934 5.053 4.120 -0.002 0.000 0.291 200 V C 0.428 176.548 176.094 0.042 0.000 1.024 200 V CA -0.362 61.965 62.300 0.044 0.000 0.861 200 V CB 1.379 33.220 31.823 0.031 0.000 0.985 200 V HN 0.969 9.159 8.190 -0.000 0.000 0.436 201 G N 5.050 113.874 108.800 0.040 0.000 2.361 201 G HA2 0.478 4.437 3.960 -0.002 0.000 0.299 201 G HA3 0.478 4.437 3.960 -0.002 0.000 0.299 201 G C -3.519 171.403 174.900 0.037 0.000 1.544 201 G CA -0.859 44.264 45.100 0.038 0.000 0.860 201 G HN 0.487 8.777 8.290 -0.000 0.000 0.610 202 P HA 0.203 4.623 4.420 -0.000 0.000 0.269 202 P C -2.266 175.056 177.300 0.036 0.000 1.211 202 P CA -0.630 62.484 63.100 0.024 0.000 0.781 202 P CB 0.004 31.711 31.700 0.012 0.000 0.877 203 P HA 0.024 4.444 4.420 -0.000 0.000 0.268 203 P C 0.807 178.137 177.300 0.049 0.000 1.205 203 P CA 0.831 63.960 63.100 0.048 0.000 0.771 203 P CB 0.245 31.969 31.700 0.039 0.000 0.858 204 G N 2.502 111.341 108.800 0.066 0.000 2.175 204 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.244 204 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.244 204 G C 0.778 175.726 174.900 0.081 0.000 0.982 204 G CA 0.481 45.623 45.100 0.070 0.000 0.641 204 G HN 0.685 8.975 8.290 -0.000 0.000 0.527 205 T N -0.979 113.620 114.554 0.074 0.000 3.227 205 T HA 0.405 4.754 4.350 -0.002 0.000 0.257 205 T C 2.102 176.848 174.700 0.077 0.000 1.162 205 T CA 1.310 63.455 62.100 0.075 0.000 1.051 205 T CB -0.102 68.804 68.868 0.063 0.000 0.953 205 T HN 2.253 10.493 8.240 -0.000 0.000 0.535 206 G N 0.607 109.455 108.800 0.080 0.000 2.212 206 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.255 206 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.255 206 G C 0.802 175.730 174.900 0.046 0.000 1.062 206 G CA -0.100 45.037 45.100 0.062 0.000 0.815 206 G HN 0.991 9.281 8.290 -0.000 0.000 0.497 207 A N -1.150 121.714 122.820 0.073 0.000 2.119 207 A HA 0.318 4.637 4.320 -0.002 0.000 0.217 207 A C 2.310 179.912 177.584 0.031 0.000 1.153 207 A CA 2.449 54.545 52.037 0.098 0.000 0.692 207 A CB -0.173 18.922 19.000 0.157 0.000 0.799 207 A HN 0.688 8.838 8.150 -0.000 0.000 0.458 208 T N -0.439 114.084 114.554 -0.052 0.000 3.010 208 T HA 0.014 4.363 4.350 -0.002 0.000 0.252 208 T C 1.765 176.252 174.700 -0.356 0.000 1.047 208 T CA 0.928 62.805 62.100 -0.371 0.000 1.140 208 T CB -0.228 68.571 68.868 -0.115 0.000 0.885 208 T HN 0.265 8.505 8.240 -0.000 0.000 0.464 209 L N 1.417 122.543 121.223 -0.162 0.000 2.042 209 L HA -0.000 4.339 4.340 -0.002 0.000 0.210 209 L C 2.124 178.898 176.870 -0.160 0.000 1.076 209 L CA 1.604 56.353 54.840 -0.151 0.000 0.749 209 L CB -0.747 41.277 42.059 -0.059 0.000 0.893 209 L HN 0.236 8.466 8.230 -0.000 0.000 0.432 210 L N -1.130 120.047 121.223 -0.077 0.000 1.989 210 L HA -0.252 4.087 4.340 -0.002 0.000 0.211 210 L C 2.655 179.515 176.870 -0.016 0.000 1.071 210 L CA 1.412 56.266 54.840 0.022 0.000 0.749 210 L CB -0.781 41.319 42.059 0.069 0.000 0.890 210 L HN 0.416 8.646 8.230 -0.000 0.000 0.431 211 A N 0.188 122.940 122.820 -0.114 0.000 1.884 211 A HA -0.310 4.009 4.320 -0.002 0.000 0.219 211 A C 2.295 179.693 177.584 -0.310 0.000 1.197 211 A CA 2.298 54.277 52.037 -0.097 0.000 0.637 211 A CB -0.694 18.154 19.000 -0.253 0.000 0.827 211 A HN 0.390 8.540 8.150 -0.000 0.000 0.450 212 R N -0.801 119.253 120.500 -0.744 0.000 2.096 212 R HA -0.046 4.293 4.340 -0.002 0.000 0.235 212 R C 2.458 178.466 176.300 -0.487 0.000 1.127 212 R CA 1.155 56.654 56.100 -1.002 0.000 0.968 212 R CB -0.487 29.268 30.300 -0.907 0.000 0.861 212 R HN 0.542 8.812 8.270 -0.000 0.000 0.440 213 A N 0.611 123.233 122.820 -0.331 0.000 1.972 213 A HA -0.107 4.213 4.320 -0.002 0.000 0.219 213 A C 2.297 179.573 177.584 -0.515 0.000 1.169 213 A CA 1.305 53.139 52.037 -0.338 0.000 0.635 213 A CB -0.352 18.575 19.000 -0.121 0.000 0.810 213 A HN 0.121 8.271 8.150 -0.000 0.000 0.446 214 V N -0.438 119.340 119.914 -0.227 0.000 2.379 214 V HA -0.168 3.951 4.120 -0.002 0.000 0.245 214 V C 3.015 179.053 176.094 -0.092 0.000 1.044 214 V CA 1.740 63.985 62.300 -0.093 0.000 1.036 214 V CB -1.103 30.812 31.823 0.152 0.000 0.664 214 V HN 0.602 8.792 8.190 -0.000 0.000 0.453 215 A N 0.716 123.500 122.820 -0.059 0.000 1.873 215 A HA -0.066 4.253 4.320 -0.002 0.000 0.215 215 A C 2.399 179.925 177.584 -0.096 0.000 1.186 215 A CA 1.835 53.866 52.037 -0.011 0.000 0.616 215 A CB -1.276 17.792 19.000 0.113 0.000 0.823 215 A HN 0.520 8.670 8.150 -0.000 0.000 0.442 216 G N -0.875 107.814 108.800 -0.185 0.000 2.470 216 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.220 216 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.220 216 G C 1.333 176.109 174.900 -0.207 0.000 1.121 216 G CA 1.241 46.228 45.100 -0.189 0.000 0.766 216 G HN 0.565 8.855 8.290 -0.000 0.000 0.553 217 E N 0.014 120.040 120.200 -0.290 0.000 2.478 217 E HA 0.351 4.700 4.350 -0.002 0.000 0.194 217 E C 1.858 178.376 176.600 -0.137 0.000 1.045 217 E CA 0.703 56.922 56.400 -0.301 0.000 0.868 217 E CB 0.050 29.377 29.700 -0.621 0.000 0.885 217 E HN 0.265 8.625 8.360 -0.000 0.000 0.505 218 A N 0.259 123.024 122.820 -0.093 0.000 2.585 218 A HA 0.252 4.571 4.320 -0.002 0.000 0.266 218 A C 0.361 177.926 177.584 -0.031 0.000 1.178 218 A CA 0.142 52.158 52.037 -0.035 0.000 0.966 218 A CB -0.205 18.791 19.000 -0.007 0.000 1.170 218 A HN 0.184 8.334 8.150 -0.000 0.000 0.558 219 N N -0.506 118.165 118.700 -0.048 0.000 2.667 219 N HA -0.154 4.585 4.740 -0.002 0.000 0.263 219 N C -0.951 174.550 175.510 -0.015 0.000 1.038 219 N CA 1.070 54.098 53.050 -0.036 0.000 0.749 219 N CB -1.224 37.245 38.487 -0.030 0.000 0.892 219 N HN 0.377 8.757 8.380 -0.000 0.000 0.546 220 V N 1.633 121.545 119.914 -0.003 0.000 2.925 220 V HA 0.621 4.740 4.120 -0.002 0.000 0.311 220 V C -1.981 174.142 176.094 0.048 0.000 1.104 220 V CA -1.657 60.660 62.300 0.029 0.000 0.954 220 V CB 2.163 34.010 31.823 0.040 0.000 1.022 220 V HN 0.193 8.383 8.190 -0.000 0.000 0.427 221 P HA 0.089 4.509 4.420 -0.000 0.000 0.267 221 P C -1.420 175.904 177.300 0.040 0.000 1.195 221 P CA 0.394 63.490 63.100 -0.007 0.000 0.773 221 P CB 0.120 31.852 31.700 0.054 0.000 0.837 222 F N 2.931 122.710 119.950 -0.284 0.000 2.612 222 F HA 0.462 4.988 4.527 -0.002 0.000 0.332 222 F C -1.426 174.213 175.800 -0.268 0.000 1.167 222 F CA -0.933 56.971 58.000 -0.160 0.000 0.970 222 F CB 0.685 39.622 39.000 -0.105 0.000 1.234 222 F HN 0.053 8.353 8.300 -0.000 0.000 0.453 223 F N 5.896 125.467 119.950 -0.630 0.000 2.303 223 F HA 0.247 4.773 4.527 -0.002 0.000 0.368 223 F C 0.342 175.842 175.800 -0.499 0.000 1.105 223 F CA -0.599 57.138 58.000 -0.438 0.000 1.153 223 F CB 0.005 38.796 39.000 -0.348 0.000 1.362 223 F HN 0.412 8.712 8.300 -0.000 0.000 0.511 224 H N 5.185 124.117 119.070 -0.229 0.000 2.819 224 H HA 0.376 4.931 4.556 -0.002 0.000 0.303 224 H C -0.556 174.842 175.328 0.117 0.000 1.058 224 H CA -0.091 55.986 56.048 0.048 0.000 1.471 224 H CB 0.481 30.434 29.762 0.319 0.000 1.480 224 H HN 0.330 8.610 8.280 -0.000 0.000 0.517 225 I N 2.733 123.581 120.570 0.463 0.000 2.828 225 I HA 0.164 4.334 4.170 -0.002 0.000 0.302 225 I C 0.249 176.593 176.117 0.379 0.000 1.101 225 I CA -0.738 60.775 61.300 0.355 0.000 1.031 225 I CB 1.708 39.833 38.000 0.208 0.000 1.231 225 I HN 0.429 8.639 8.210 -0.000 0.000 0.427 226 S N 1.292 117.194 115.700 0.336 0.000 2.482 226 S HA 0.634 5.103 4.470 -0.002 0.000 0.303 226 S C 0.805 175.593 174.600 0.314 0.000 1.091 226 S CA -0.221 58.145 58.200 0.277 0.000 1.057 226 S CB 1.599 64.932 63.200 0.222 0.000 1.031 226 S HN 0.886 9.196 8.310 -0.000 0.000 0.485 227 G N 1.643 110.549 108.800 0.177 0.000 2.813 227 G HA2 -0.018 3.941 3.960 -0.002 0.000 0.209 227 G HA3 -0.018 3.941 3.960 -0.002 0.000 0.209 227 G C 1.178 176.196 174.900 0.197 0.000 1.150 227 G CA 0.602 45.791 45.100 0.148 0.000 0.785 227 G HN 0.857 9.147 8.290 -0.000 0.000 0.535 228 S N -0.054 115.749 115.700 0.171 0.000 2.524 228 S HA 0.041 4.510 4.470 -0.002 0.000 0.216 228 S C 1.304 175.972 174.600 0.114 0.000 0.987 228 S CA 0.480 58.753 58.200 0.123 0.000 0.909 228 S CB 0.201 63.451 63.200 0.084 0.000 0.781 228 S HN 0.146 8.456 8.310 -0.000 0.000 0.521 229 D N 1.352 121.829 120.400 0.129 0.000 2.234 229 D HA 0.098 4.737 4.640 -0.002 0.000 0.205 229 D C 0.926 177.162 176.300 -0.107 0.000 0.962 229 D CA 0.708 54.689 54.000 -0.031 0.000 0.855 229 D CB -0.354 40.355 40.800 -0.150 0.000 0.951 229 D HN 0.483 8.853 8.370 -0.000 0.000 0.500 230 F N 0.724 120.685 119.950 0.019 0.000 2.615 230 F HA 0.033 4.559 4.527 -0.002 0.000 0.297 230 F C 1.088 176.894 175.800 0.011 0.000 1.124 230 F CA 0.048 58.058 58.000 0.017 0.000 1.451 230 F CB -0.126 38.883 39.000 0.015 0.000 1.103 230 F HN -0.301 7.999 8.300 -0.000 0.000 0.569 231 V N 1.613 121.625 119.914 0.164 0.000 2.488 231 V HA 0.112 4.231 4.120 -0.002 0.000 0.277 231 V C 0.487 176.612 176.094 0.052 0.000 1.046 231 V CA -0.272 62.081 62.300 0.089 0.000 0.986 231 V CB 0.870 32.734 31.823 0.069 0.000 0.989 231 V HN 0.356 8.546 8.190 -0.000 0.000 0.475 232 E N 1.576 121.800 120.200 0.039 0.000 4.253 232 E HA -0.156 4.193 4.350 -0.002 0.000 0.360 232 E C -0.161 176.463 176.600 0.041 0.000 0.664 232 E CA 0.333 56.751 56.400 0.030 0.000 1.432 232 E CB -1.120 28.594 29.700 0.024 0.000 1.769 232 E HN 0.604 8.964 8.360 -0.000 0.000 0.386 233 L N 0.570 121.822 121.223 0.048 0.000 2.453 233 L HA 0.381 4.720 4.340 -0.002 0.000 0.261 233 L C 1.135 178.066 176.870 0.102 0.000 1.179 233 L CA -0.430 54.452 54.840 0.070 0.000 0.813 233 L CB 0.163 42.258 42.059 0.060 0.000 1.110 233 L HN -0.011 8.219 8.230 -0.000 0.000 0.466 234 F N 0.788 120.737 119.950 -0.002 0.000 2.444 234 F HA 0.179 4.705 4.527 -0.002 0.000 0.331 234 F C 0.346 176.151 175.800 0.009 0.000 1.167 234 F CA -0.465 57.535 58.000 0.001 0.000 1.262 234 F CB 0.849 39.847 39.000 -0.003 0.000 1.196 234 F HN 0.001 8.301 8.300 -0.000 0.000 0.583 235 V N 5.676 124.812 119.914 -1.297 0.000 2.452 235 V HA 0.210 4.329 4.120 -0.002 0.000 0.286 235 V C 0.971 176.780 176.094 -0.474 0.000 0.995 235 V CA 1.535 63.335 62.300 -0.833 0.000 1.116 235 V CB -0.405 30.904 31.823 -0.857 0.000 0.954 235 V HN 1.173 9.363 8.190 -0.000 0.000 0.473 236 G N 3.785 112.487 108.800 -0.162 0.000 2.279 236 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.223 236 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.223 236 G C 0.674 175.616 174.900 0.070 0.000 1.015 236 G CA 0.176 45.266 45.100 -0.016 0.000 0.621 236 G HN 0.574 8.864 8.290 -0.000 0.000 0.506 237 V N 1.831 121.816 119.914 0.119 0.000 2.343 237 V HA 0.022 4.141 4.120 -0.002 0.000 0.247 237 V C 3.097 179.268 176.094 0.128 0.000 1.051 237 V CA 3.194 65.580 62.300 0.143 0.000 1.036 237 V CB -1.132 30.799 31.823 0.180 0.000 0.654 237 V HN 0.800 8.990 8.190 -0.000 0.000 0.451 238 G N -0.435 108.449 108.800 0.139 0.000 2.440 238 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.218 238 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.218 238 G C 1.718 176.786 174.900 0.281 0.000 1.154 238 G CA 1.075 46.333 45.100 0.264 0.000 0.767 238 G HN 0.622 8.912 8.290 -0.000 0.000 0.552 239 A N 0.902 123.810 122.820 0.148 0.000 1.929 239 A HA 0.440 4.760 4.320 -0.002 0.000 0.216 239 A C 2.771 180.431 177.584 0.126 0.000 1.176 239 A CA 1.837 53.939 52.037 0.109 0.000 0.628 239 A CB -0.601 18.431 19.000 0.054 0.000 0.816 239 A HN 0.693 8.843 8.150 -0.000 0.000 0.444 240 A N 0.095 122.989 122.820 0.122 0.000 1.902 240 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 240 A C 2.213 179.878 177.584 0.134 0.000 1.181 240 A CA 1.356 53.459 52.037 0.109 0.000 0.623 240 A CB -0.453 18.601 19.000 0.090 0.000 0.818 240 A HN 0.425 8.575 8.150 -0.000 0.000 0.443 241 R N -0.265 120.342 120.500 0.179 0.000 2.083 241 R HA -0.130 4.209 4.340 -0.002 0.000 0.237 241 R C 2.123 178.597 176.300 0.290 0.000 1.137 241 R CA 1.609 57.837 56.100 0.212 0.000 0.951 241 R CB -1.387 29.041 30.300 0.214 0.000 0.851 241 R HN 0.440 8.710 8.270 -0.000 0.000 0.434 242 V N 1.257 121.385 119.914 0.355 0.000 2.287 242 V HA -0.252 3.867 4.120 -0.002 0.000 0.248 242 V C 2.595 178.870 176.094 0.301 0.000 1.053 242 V CA 1.822 64.296 62.300 0.291 0.000 1.027 242 V CB -0.575 31.353 31.823 0.174 0.000 0.646 242 V HN 0.305 8.495 8.190 -0.000 0.000 0.447 243 R N -0.216 120.397 120.500 0.188 0.000 2.105 243 R HA -0.224 4.115 4.340 -0.002 0.000 0.239 243 R C 2.163 178.544 176.300 0.136 0.000 1.135 243 R CA 2.029 58.213 56.100 0.141 0.000 0.967 243 R CB -0.417 29.932 30.300 0.082 0.000 0.861 243 R HN 0.669 8.939 8.270 -0.000 0.000 0.442 244 D N 0.241 120.708 120.400 0.111 0.000 2.097 244 D HA -0.164 4.475 4.640 -0.002 0.000 0.197 244 D C 1.819 178.123 176.300 0.006 0.000 0.984 244 D CA 0.718 54.754 54.000 0.059 0.000 0.826 244 D CB -0.011 40.820 40.800 0.053 0.000 0.973 244 D HN 0.033 8.403 8.370 -0.000 0.000 0.460 245 L N -0.392 120.829 121.223 -0.005 0.000 2.013 245 L HA -0.132 4.207 4.340 -0.002 0.000 0.212 245 L C 1.994 178.619 176.870 -0.409 0.000 1.073 245 L CA 1.810 56.526 54.840 -0.207 0.000 0.753 245 L CB -0.980 40.943 42.059 -0.226 0.000 0.890 245 L HN 0.100 8.330 8.230 -0.000 0.000 0.432 246 F N -0.438 119.388 119.950 -0.207 0.000 2.259 246 F HA -0.024 4.502 4.527 -0.002 0.000 0.298 246 F C 2.447 178.127 175.800 -0.199 0.000 1.088 246 F CA 0.988 58.844 58.000 -0.240 0.000 1.358 246 F CB -0.885 38.029 39.000 -0.144 0.000 1.040 246 F HN 0.204 8.504 8.300 -0.000 0.000 0.505 247 A N -0.306 122.538 122.820 0.041 0.000 1.902 247 A HA -0.186 4.133 4.320 -0.002 0.000 0.217 247 A C 2.130 179.685 177.584 -0.049 0.000 1.181 247 A CA 1.318 53.364 52.037 0.015 0.000 0.623 247 A CB -0.503 18.517 19.000 0.033 0.000 0.818 247 A HN 0.277 8.427 8.150 -0.000 0.000 0.443 248 Q N -0.594 119.104 119.800 -0.170 0.000 2.369 248 Q HA 0.049 4.388 4.340 -0.002 0.000 0.206 248 Q C 2.164 177.840 176.000 -0.539 0.000 0.963 248 Q CA 1.191 56.831 55.803 -0.272 0.000 0.894 248 Q CB -0.484 28.053 28.738 -0.334 0.000 0.965 248 Q HN 0.688 8.958 8.270 -0.000 0.000 0.475 249 A N 1.398 123.836 122.820 -0.638 0.000 1.878 249 A HA -0.090 4.229 4.320 -0.002 0.000 0.213 249 A C 2.022 179.509 177.584 -0.161 0.000 1.192 249 A CA 0.821 52.480 52.037 -0.630 0.000 0.619 249 A CB -0.145 18.436 19.000 -0.697 0.000 0.837 249 A HN 0.201 8.351 8.150 -0.000 0.000 0.446 250 K N 0.180 120.536 120.400 -0.073 0.000 2.152 250 K HA -0.098 4.221 4.320 -0.002 0.000 0.206 250 K C 2.073 178.715 176.600 0.071 0.000 1.048 250 K CA 1.182 57.486 56.287 0.029 0.000 0.933 250 K CB -0.275 32.262 32.500 0.061 0.000 0.721 250 K HN 0.441 8.691 8.250 -0.000 0.000 0.447 251 A N 0.808 123.701 122.820 0.122 0.000 1.970 251 A HA -0.085 4.235 4.320 -0.002 0.000 0.216 251 A C 1.149 178.806 177.584 0.122 0.000 1.170 251 A CA 1.042 53.162 52.037 0.138 0.000 0.645 251 A CB -0.332 18.779 19.000 0.185 0.000 0.816 251 A HN 0.258 8.408 8.150 -0.000 0.000 0.447 252 H N -0.295 118.816 119.070 0.069 0.000 2.529 252 H HA 0.564 5.119 4.556 -0.002 0.000 0.277 252 H C 0.894 176.284 175.328 0.103 0.000 1.004 252 H CA -0.298 55.829 56.048 0.132 0.000 1.167 252 H CB -0.329 29.627 29.762 0.323 0.000 1.445 252 H HN 0.491 8.771 8.280 -0.000 0.000 0.554 253 A N 1.675 124.588 122.820 0.155 0.000 2.425 253 A HA 0.315 4.634 4.320 -0.002 0.000 0.242 253 A C -1.788 175.829 177.584 0.055 0.000 1.077 253 A CA -1.104 50.988 52.037 0.091 0.000 0.781 253 A CB -0.040 18.996 19.000 0.060 0.000 1.020 253 A HN 0.110 8.260 8.150 -0.000 0.000 0.494 254 P HA 0.364 4.784 4.420 -0.000 0.000 0.269 254 P C -0.143 177.198 177.300 0.068 0.000 1.209 254 P CA -0.100 63.011 63.100 0.018 0.000 0.776 254 P CB 0.280 31.956 31.700 -0.040 0.000 0.876 255 C N 0.621 119.968 119.300 0.078 0.000 3.251 255 C HA 0.717 5.176 4.460 -0.002 0.000 0.376 255 C C -1.195 173.863 174.990 0.112 0.000 1.791 255 C CA -0.862 58.235 59.018 0.133 0.000 1.163 255 C CB 0.428 28.313 27.740 0.242 0.000 2.128 255 C HN 0.449 8.679 8.230 -0.000 0.000 0.429 256 I N 1.021 121.680 120.570 0.148 0.000 2.569 256 I HA 0.573 4.742 4.170 -0.002 0.000 0.290 256 I C -1.088 175.028 176.117 -0.003 0.000 1.088 256 I CA -0.602 60.765 61.300 0.111 0.000 1.047 256 I CB 2.207 40.353 38.000 0.244 0.000 1.237 256 I HN 0.576 8.786 8.210 -0.000 0.000 0.421 257 V N 6.559 126.416 119.914 -0.095 0.000 2.357 257 V HA 0.358 4.477 4.120 -0.002 0.000 0.284 257 V C -0.633 175.392 176.094 -0.116 0.000 1.018 257 V CA -0.537 61.624 62.300 -0.232 0.000 0.841 257 V CB 1.505 33.044 31.823 -0.474 0.000 0.991 257 V HN 0.418 8.608 8.190 -0.000 0.000 0.437 258 F N 6.258 125.987 119.950 -0.367 0.000 2.458 258 F HA 0.738 5.264 4.527 -0.002 0.000 0.330 258 F C -0.164 175.550 175.800 -0.142 0.000 1.082 258 F CA -0.996 56.876 58.000 -0.215 0.000 0.995 258 F CB 1.440 40.280 39.000 -0.267 0.000 1.170 258 F HN 0.336 8.636 8.300 -0.000 0.000 0.478 259 I N 4.716 124.712 120.570 -0.957 0.000 2.583 259 I HA 0.155 4.324 4.170 -0.002 0.000 0.276 259 I C -1.004 174.611 176.117 -0.836 0.000 1.089 259 I CA -0.707 60.220 61.300 -0.621 0.000 1.103 259 I CB 0.945 38.748 38.000 -0.329 0.000 1.209 259 I HN 0.457 8.667 8.210 -0.000 0.000 0.484 260 D N 4.902 124.969 120.400 -0.554 0.000 2.372 260 D HA 0.007 4.646 4.640 -0.002 0.000 0.243 260 D C 0.681 176.947 176.300 -0.057 0.000 1.121 260 D CA 0.650 54.552 54.000 -0.164 0.000 0.898 260 D CB 0.869 41.888 40.800 0.365 0.000 1.202 260 D HN 0.560 8.930 8.370 -0.000 0.000 0.428 261 E N 1.803 121.996 120.200 -0.012 0.000 2.183 261 E HA -0.254 4.095 4.350 -0.002 0.000 0.196 261 E C 0.786 177.347 176.600 -0.064 0.000 1.364 261 E CA 0.005 56.401 56.400 -0.007 0.000 0.700 261 E CB -1.010 28.719 29.700 0.049 0.000 1.106 261 E HN 0.581 8.941 8.360 -0.000 0.000 0.347 262 I N 0.801 121.282 120.570 -0.148 0.000 2.546 262 I HA -0.206 3.963 4.170 -0.002 0.000 0.255 262 I C 1.764 177.789 176.117 -0.153 0.000 1.163 262 I CA 1.696 62.875 61.300 -0.201 0.000 1.457 262 I CB -0.111 37.686 38.000 -0.339 0.000 1.092 262 I HN 0.441 8.651 8.210 -0.000 0.000 0.434 263 D N 1.057 121.389 120.400 -0.113 0.000 2.371 263 D HA -0.121 4.518 4.640 -0.002 0.000 0.221 263 D C 1.752 178.022 176.300 -0.049 0.000 0.986 263 D CA 0.892 54.842 54.000 -0.083 0.000 0.899 263 D CB 0.106 40.869 40.800 -0.061 0.000 0.902 263 D HN 0.429 8.799 8.370 -0.000 0.000 0.530 264 A N 0.719 123.517 122.820 -0.036 0.000 2.072 264 A HA 0.094 4.413 4.320 -0.002 0.000 0.216 264 A C 2.177 179.756 177.584 -0.008 0.000 1.156 264 A CA 0.663 52.696 52.037 -0.005 0.000 0.701 264 A CB 0.003 19.017 19.000 0.022 0.000 0.816 264 A HN 0.237 8.387 8.150 -0.000 0.000 0.458 265 V N -1.423 118.464 119.914 -0.045 0.000 3.151 265 V HA 0.308 4.427 4.120 -0.002 0.000 0.241 265 V C 1.528 177.577 176.094 -0.075 0.000 1.173 265 V CA 1.131 63.395 62.300 -0.060 0.000 1.154 265 V CB 0.199 31.943 31.823 -0.131 0.000 0.898 265 V HN 0.412 8.602 8.190 -0.000 0.000 0.473 266 G N 1.684 110.425 108.800 -0.099 0.000 3.581 266 G HA2 0.323 4.282 3.960 -0.002 0.000 0.255 266 G HA3 0.323 4.282 3.960 -0.002 0.000 0.255 266 G C 0.264 175.126 174.900 -0.063 0.000 1.121 266 G CA -0.209 44.835 45.100 -0.093 0.000 1.739 266 G HN 0.481 8.771 8.290 -0.000 0.000 0.646 278 D N 0.062 120.382 120.400 -0.133 0.000 2.494 278 D HA -0.042 4.597 4.640 -0.002 0.000 0.102 278 D C 1.353 177.608 176.300 -0.076 0.000 1.379 278 D CA 0.096 54.020 54.000 -0.126 0.000 1.455 278 D CB 0.081 40.759 40.800 -0.202 0.000 2.220 278 D HN 0.070 8.440 8.370 -0.000 0.000 0.198 279 E N 0.313 120.462 120.200 -0.085 0.000 2.268 279 E HA -0.078 4.271 4.350 -0.002 0.000 0.195 279 E C 1.950 178.533 176.600 -0.029 0.000 0.995 279 E CA 1.041 57.403 56.400 -0.063 0.000 0.836 279 E CB -0.064 29.593 29.700 -0.073 0.000 0.763 279 E HN 0.279 8.639 8.360 -0.000 0.000 0.491 280 R N 0.123 120.606 120.500 -0.027 0.000 2.237 280 R HA -0.078 4.261 4.340 -0.002 0.000 0.219 280 R C 1.678 177.971 176.300 -0.012 0.000 1.080 280 R CA 1.161 57.256 56.100 -0.009 0.000 0.995 280 R CB 0.091 30.387 30.300 -0.006 0.000 0.875 280 R HN 0.168 8.438 8.270 -0.000 0.000 0.462 281 E N 0.318 120.509 120.200 -0.014 0.000 2.046 281 E HA -0.191 4.158 4.350 -0.002 0.000 0.190 281 E C 1.895 178.486 176.600 -0.016 0.000 0.982 281 E CA 1.054 57.448 56.400 -0.011 0.000 0.800 281 E CB -0.047 29.650 29.700 -0.006 0.000 0.756 281 E HN 0.530 8.890 8.360 -0.000 0.000 0.449 282 Q N 0.217 120.006 119.800 -0.018 0.000 2.020 282 Q HA -0.116 4.223 4.340 -0.002 0.000 0.202 282 Q C 2.287 178.282 176.000 -0.007 0.000 0.982 282 Q CA 1.901 57.695 55.803 -0.015 0.000 0.838 282 Q CB -0.233 28.493 28.738 -0.020 0.000 0.899 282 Q HN 0.234 8.504 8.270 -0.000 0.000 0.423 283 T N 1.865 116.420 114.554 0.002 0.000 2.708 283 T HA -0.161 4.188 4.350 -0.002 0.000 0.266 283 T C 1.813 176.480 174.700 -0.056 0.000 1.037 283 T CA 1.133 63.231 62.100 -0.003 0.000 1.146 283 T CB -0.391 68.493 68.868 0.027 0.000 0.865 283 T HN 0.109 8.349 8.240 -0.000 0.000 0.435 284 L N 2.268 123.459 121.223 -0.054 0.000 1.989 284 L HA -0.110 4.229 4.340 -0.002 0.000 0.211 284 L C 1.963 178.809 176.870 -0.040 0.000 1.071 284 L CA 1.826 56.632 54.840 -0.057 0.000 0.749 284 L CB -1.053 40.981 42.059 -0.041 0.000 0.890 284 L HN 0.111 8.341 8.230 -0.000 0.000 0.431 285 N N -0.484 118.198 118.700 -0.030 0.000 2.149 285 N HA -0.233 4.506 4.740 -0.002 0.000 0.188 285 N C 1.851 177.339 175.510 -0.036 0.000 1.019 285 N CA 1.361 54.395 53.050 -0.027 0.000 0.857 285 N CB -0.341 38.133 38.487 -0.022 0.000 0.997 285 N HN 0.493 8.873 8.380 -0.000 0.000 0.426 286 Q N 0.928 120.708 119.800 -0.033 0.000 2.167 286 Q HA 0.040 4.379 4.340 -0.002 0.000 0.202 286 Q C 2.011 177.972 176.000 -0.066 0.000 0.970 286 Q CA 0.876 56.658 55.803 -0.035 0.000 0.855 286 Q CB -0.370 28.366 28.738 -0.004 0.000 0.911 286 Q HN 0.413 8.683 8.270 -0.000 0.000 0.438 287 L N -0.583 120.605 121.223 -0.057 0.000 2.027 287 L HA -0.131 4.208 4.340 -0.002 0.000 0.206 287 L C 2.019 178.839 176.870 -0.083 0.000 1.074 287 L CA 1.131 55.938 54.840 -0.055 0.000 0.745 287 L CB -0.232 41.819 42.059 -0.014 0.000 0.898 287 L HN 0.341 8.571 8.230 -0.000 0.000 0.433 288 L N -1.014 120.182 121.223 -0.045 0.000 2.187 288 L HA -0.234 4.105 4.340 -0.002 0.000 0.213 288 L C 2.321 179.143 176.870 -0.081 0.000 1.100 288 L CA 0.759 55.576 54.840 -0.038 0.000 0.765 288 L CB -0.462 41.584 42.059 -0.021 0.000 0.904 288 L HN 0.172 8.402 8.230 -0.000 0.000 0.437 289 V N -1.048 118.805 119.914 -0.102 0.000 2.346 289 V HA -0.140 3.979 4.120 -0.002 0.000 0.244 289 V C 2.426 178.413 176.094 -0.178 0.000 1.037 289 V CA 1.237 63.469 62.300 -0.113 0.000 1.029 289 V CB -0.336 31.436 31.823 -0.084 0.000 0.663 289 V HN 0.350 8.540 8.190 -0.000 0.000 0.454 290 E N -0.232 119.788 120.200 -0.300 0.000 2.110 290 E HA -0.182 4.167 4.350 -0.002 0.000 0.193 290 E C 2.244 178.549 176.600 -0.493 0.000 0.988 290 E CA 1.176 57.230 56.400 -0.575 0.000 0.804 290 E CB -0.337 28.636 29.700 -1.211 0.000 0.745 290 E HN 0.384 8.744 8.360 -0.000 0.000 0.458 291 M N 1.027 120.422 119.600 -0.341 0.000 2.065 291 M HA -0.153 4.326 4.480 -0.002 0.000 0.259 291 M C 1.462 177.668 176.300 -0.157 0.000 1.071 291 M CA 1.415 56.669 55.300 -0.076 0.000 1.109 291 M CB -1.169 31.398 32.600 -0.055 0.000 1.313 291 M HN -0.052 8.238 8.290 -0.000 0.000 0.408 292 D N -0.239 120.064 120.400 -0.161 0.000 2.378 292 D HA -0.021 4.618 4.640 -0.002 0.000 0.222 292 D C 1.916 178.116 176.300 -0.166 0.000 0.980 292 D CA 1.010 54.909 54.000 -0.167 0.000 0.907 292 D CB -0.459 40.272 40.800 -0.115 0.000 0.899 292 D HN 0.510 8.880 8.370 -0.000 0.000 0.527 293 G N 0.076 108.792 108.800 -0.141 0.000 2.510 293 G HA2 0.063 4.022 3.960 -0.002 0.000 0.212 293 G HA3 0.063 4.022 3.960 -0.002 0.000 0.212 293 G C 0.586 175.476 174.900 -0.018 0.000 1.151 293 G CA -0.192 44.861 45.100 -0.080 0.000 0.817 293 G HN 0.331 8.621 8.290 -0.000 0.000 0.534 294 F N 0.487 120.379 119.950 -0.097 0.000 2.380 294 F HA 0.674 5.200 4.527 -0.002 0.000 0.321 294 F C -0.640 175.152 175.800 -0.014 0.000 1.103 294 F CA -1.896 56.086 58.000 -0.030 0.000 1.067 294 F CB 0.965 39.978 39.000 0.022 0.000 1.265 294 F HN -0.143 8.157 8.300 -0.000 0.000 0.517 295 D N 1.206 121.651 120.400 0.076 0.000 2.317 295 D HA 0.129 4.768 4.640 -0.002 0.000 0.234 295 D C 0.932 177.277 176.300 0.074 0.000 1.112 295 D CA -0.102 53.881 54.000 -0.028 0.000 0.840 295 D CB 1.707 42.536 40.800 0.049 0.000 1.078 295 D HN 0.681 9.051 8.370 -0.000 0.000 0.486 296 S N 3.725 119.376 115.700 -0.083 0.000 2.400 296 S HA -0.176 4.293 4.470 -0.002 0.000 0.232 296 S C 1.481 176.263 174.600 0.303 0.000 1.025 296 S CA 1.274 59.555 58.200 0.135 0.000 0.993 296 S CB -0.058 63.144 63.200 0.003 0.000 0.808 296 S HN 0.510 8.820 8.310 -0.000 0.000 0.478 297 K N 0.382 120.901 120.400 0.200 0.000 2.211 297 K HA -0.039 4.280 4.320 -0.002 0.000 0.203 297 K C 1.881 178.548 176.600 0.112 0.000 1.050 297 K CA 1.128 57.534 56.287 0.198 0.000 0.945 297 K CB -0.158 32.415 32.500 0.122 0.000 0.732 297 K HN 0.284 8.534 8.250 -0.000 0.000 0.451 298 E N 0.555 120.830 120.200 0.126 0.000 2.455 298 E HA -0.126 4.223 4.350 -0.002 0.000 0.202 298 E C 0.764 177.380 176.600 0.026 0.000 1.045 298 E CA 0.891 57.342 56.400 0.086 0.000 0.872 298 E CB -0.393 29.392 29.700 0.142 0.000 0.792 298 E HN 0.443 8.803 8.360 -0.000 0.000 0.542 299 G N -0.053 108.736 108.800 -0.018 0.000 2.147 299 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.244 299 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.244 299 G C 0.138 175.064 174.900 0.043 0.000 1.005 299 G CA 0.311 45.303 45.100 -0.181 0.000 0.713 299 G HN 0.284 8.574 8.290 -0.000 0.000 0.515 300 I N 0.437 121.123 120.570 0.193 0.000 2.353 300 I HA 0.609 4.778 4.170 -0.002 0.000 0.293 300 I C 0.501 176.747 176.117 0.215 0.000 0.992 300 I CA -0.795 60.577 61.300 0.120 0.000 1.268 300 I CB 1.432 39.402 38.000 -0.051 0.000 1.387 300 I HN -0.045 8.165 8.210 -0.000 0.000 0.478 301 I N 6.246 126.873 120.570 0.094 0.000 2.512 301 I HA 0.293 4.463 4.170 -0.002 0.000 0.287 301 I C -0.647 175.489 176.117 0.032 0.000 1.069 301 I CA -0.793 60.580 61.300 0.122 0.000 1.056 301 I CB 2.325 40.428 38.000 0.172 0.000 1.229 301 I HN 0.196 8.406 8.210 -0.000 0.000 0.429 302 V N 6.922 126.839 119.914 0.005 0.000 2.465 302 V HA 0.448 4.567 4.120 -0.002 0.000 0.279 302 V C 0.361 176.513 176.094 0.096 0.000 1.045 302 V CA -0.174 62.121 62.300 -0.008 0.000 0.938 302 V CB 1.329 33.118 31.823 -0.056 0.000 0.986 302 V HN 0.661 8.851 8.190 -0.000 0.000 0.467 303 M N 3.267 123.005 119.600 0.230 0.000 2.852 303 M HA 0.942 5.421 4.480 -0.002 0.000 0.301 303 M C -0.378 176.096 176.300 0.289 0.000 1.229 303 M CA -0.792 54.725 55.300 0.363 0.000 0.832 303 M CB 2.348 35.216 32.600 0.446 0.000 1.726 303 M HN 0.706 8.996 8.290 -0.000 0.000 0.497 304 A N 0.405 123.349 122.820 0.205 0.000 2.590 304 A HA 0.800 5.119 4.320 -0.002 0.000 0.294 304 A C -2.002 175.577 177.584 -0.009 0.000 1.046 304 A CA -0.602 51.319 52.037 -0.194 0.000 0.684 304 A CB 0.910 19.703 19.000 -0.346 0.000 1.279 304 A HN 0.954 9.104 8.150 -0.000 0.000 0.415 305 A N 0.263 123.047 122.820 -0.060 0.000 2.350 305 A HA 0.980 5.299 4.320 -0.002 0.000 0.324 305 A C -0.233 177.350 177.584 -0.001 0.000 1.118 305 A CA -0.104 51.989 52.037 0.093 0.000 0.783 305 A CB 1.603 20.770 19.000 0.279 0.000 1.236 305 A HN 2.199 10.349 8.150 -0.000 0.000 0.457 306 T N 0.966 115.529 114.554 0.015 0.000 3.933 306 T HA 0.190 4.539 4.350 -0.002 0.000 0.357 306 T C 0.207 174.911 174.700 0.007 0.000 1.077 306 T CA -0.157 61.936 62.100 -0.010 0.000 1.082 306 T CB 0.130 68.962 68.868 -0.060 0.000 1.158 306 T HN 0.817 9.057 8.240 -0.000 0.000 0.472 307 N N 3.264 121.973 118.700 0.015 0.000 2.461 307 N HA 0.009 4.748 4.740 -0.002 0.000 0.188 307 N C 0.589 176.100 175.510 0.002 0.000 1.134 307 N CA -0.172 52.886 53.050 0.014 0.000 0.878 307 N CB 0.277 38.776 38.487 0.019 0.000 0.972 307 N HN 0.227 8.607 8.380 -0.000 0.000 0.456 308 R N 1.082 121.578 120.500 -0.007 0.000 2.724 308 R HA 0.346 4.685 4.340 -0.002 0.000 0.284 308 R C -2.156 174.129 176.300 -0.025 0.000 1.481 308 R CA -1.893 54.198 56.100 -0.014 0.000 1.652 308 R CB 0.967 31.258 30.300 -0.014 0.000 1.175 308 R HN 0.035 8.305 8.270 -0.000 0.000 0.613 309 P HA 0.108 4.528 4.420 -0.000 0.000 0.240 309 P C -0.120 177.165 177.300 -0.024 0.000 1.190 309 P CA 0.496 63.581 63.100 -0.025 0.000 0.781 309 P CB 0.592 32.286 31.700 -0.011 0.000 0.931 310 D N -0.972 119.417 120.400 -0.019 0.000 2.338 310 D HA 0.087 4.726 4.640 -0.002 0.000 0.208 310 D C 1.730 178.018 176.300 -0.020 0.000 0.997 310 D CA 0.236 54.227 54.000 -0.016 0.000 0.880 310 D CB -0.341 40.453 40.800 -0.011 0.000 0.980 310 D HN 0.137 8.507 8.370 -0.000 0.000 0.509 311 I N 0.846 121.402 120.570 -0.023 0.000 2.916 311 I HA -0.085 4.084 4.170 -0.002 0.000 0.267 311 I C 0.234 176.332 176.117 -0.031 0.000 1.263 311 I CA 0.307 61.593 61.300 -0.023 0.000 1.471 311 I CB 0.221 38.209 38.000 -0.021 0.000 1.089 311 I HN -0.162 8.048 8.210 -0.000 0.000 0.468 312 L N 1.265 122.463 121.223 -0.042 0.000 2.416 312 L HA 0.030 4.369 4.340 -0.002 0.000 0.272 312 L C 0.434 177.281 176.870 -0.039 0.000 1.161 312 L CA -0.215 54.591 54.840 -0.056 0.000 0.845 312 L CB 0.091 42.103 42.059 -0.079 0.000 1.119 312 L HN 0.035 8.265 8.230 -0.000 0.000 0.464 313 D N 5.612 125.989 120.400 -0.039 0.000 2.434 313 D HA 0.011 4.650 4.640 -0.002 0.000 0.252 313 D C -1.423 174.868 176.300 -0.016 0.000 1.185 313 D CA -1.517 52.469 54.000 -0.023 0.000 0.886 313 D CB 1.377 42.164 40.800 -0.022 0.000 1.148 313 D HN 0.262 8.632 8.370 -0.000 0.000 0.483 314 P HA -0.169 4.251 4.420 -0.000 0.000 0.222 314 P C 0.938 178.242 177.300 0.007 0.000 1.142 314 P CA 0.936 64.035 63.100 -0.001 0.000 0.788 314 P CB 0.116 31.814 31.700 -0.003 0.000 0.767 315 A N 0.298 123.122 122.820 0.006 0.000 1.902 315 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 315 A C 2.301 179.906 177.584 0.035 0.000 1.181 315 A CA 1.283 53.328 52.037 0.012 0.000 0.623 315 A CB -1.538 17.465 19.000 0.004 0.000 0.818 315 A HN 0.167 8.317 8.150 -0.000 0.000 0.443 316 L N -0.739 120.512 121.223 0.046 0.000 2.265 316 L HA -0.079 4.260 4.340 -0.002 0.000 0.215 316 L C 1.796 178.762 176.870 0.159 0.000 1.117 316 L CA 0.565 55.476 54.840 0.118 0.000 0.782 316 L CB -0.305 41.785 42.059 0.051 0.000 0.914 316 L HN 0.351 8.581 8.230 -0.000 0.000 0.441 317 L N -0.766 120.508 121.223 0.085 0.000 2.592 317 L HA 0.095 4.434 4.340 -0.002 0.000 0.227 317 L C 0.790 177.694 176.870 0.057 0.000 1.127 317 L CA -0.090 54.798 54.840 0.080 0.000 0.884 317 L CB -0.146 41.938 42.059 0.042 0.000 1.065 317 L HN 0.153 8.383 8.230 -0.000 0.000 0.457 318 R N 0.854 121.381 120.500 0.044 0.000 2.410 318 R HA 0.310 4.650 4.340 -0.002 0.000 0.288 318 R C -2.301 174.003 176.300 0.006 0.000 1.051 318 R CA -2.108 54.003 56.100 0.018 0.000 1.021 318 R CB -0.066 30.239 30.300 0.007 0.000 1.032 318 R HN -0.201 8.069 8.270 -0.000 0.000 0.481 319 P HA -0.120 4.300 4.420 -0.000 0.000 0.263 319 P C 0.703 177.977 177.300 -0.044 0.000 1.168 319 P CA 1.200 64.285 63.100 -0.024 0.000 0.759 319 P CB 0.426 32.111 31.700 -0.025 0.000 0.782 320 G N 2.053 110.813 108.800 -0.068 0.000 2.238 320 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.217 320 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.217 320 G C 0.547 175.373 174.900 -0.124 0.000 0.996 320 G CA 0.086 45.123 45.100 -0.105 0.000 0.632 320 G HN 0.562 8.852 8.290 -0.000 0.000 0.503 321 R N -1.360 119.088 120.500 -0.087 0.000 2.720 321 R HA 0.634 4.973 4.340 -0.002 0.000 0.100 321 R C -0.213 175.975 176.300 -0.188 0.000 1.008 321 R CA -0.599 55.432 56.100 -0.114 0.000 0.823 321 R CB -0.288 30.029 30.300 0.029 0.000 0.714 321 R HN 0.034 8.304 8.270 -0.000 0.000 0.365 322 F N 3.280 123.239 119.950 0.016 0.000 2.659 322 F HA 0.088 4.614 4.527 -0.002 0.000 0.360 322 F C 0.333 176.136 175.800 0.005 0.000 1.218 322 F CA -0.222 57.788 58.000 0.017 0.000 1.317 322 F CB -0.176 38.831 39.000 0.010 0.000 1.697 322 F HN 0.371 8.671 8.300 -0.000 0.000 0.637 323 D N 0.001 120.446 120.400 0.075 0.000 2.395 323 D HA 0.069 4.708 4.640 -0.002 0.000 0.226 323 D C 0.176 176.500 176.300 0.040 0.000 1.146 323 D CA -0.157 53.871 54.000 0.047 0.000 0.830 323 D CB 0.142 40.946 40.800 0.007 0.000 0.958 323 D HN 0.346 8.716 8.370 -0.000 0.000 0.501 324 K N 0.522 120.961 120.400 0.065 0.000 2.523 324 K HA 0.360 4.679 4.320 -0.002 0.000 0.257 324 K C -1.458 175.193 176.600 0.084 0.000 0.932 324 K CA -0.836 55.484 56.287 0.054 0.000 0.812 324 K CB 1.834 34.350 32.500 0.028 0.000 1.326 324 K HN 0.032 8.282 8.250 -0.000 0.000 0.433 325 K N 3.829 124.268 120.400 0.065 0.000 2.378 325 K HA 0.518 4.837 4.320 -0.002 0.000 0.252 325 K C -0.828 175.806 176.600 0.056 0.000 0.931 325 K CA -0.820 55.509 56.287 0.070 0.000 0.794 325 K CB 1.788 34.322 32.500 0.056 0.000 1.181 325 K HN 0.363 8.613 8.250 -0.000 0.000 0.425 326 I N 2.905 123.513 120.570 0.064 0.000 2.362 326 I HA 0.166 4.335 4.170 -0.002 0.000 0.289 326 I C -0.552 175.591 176.117 0.044 0.000 0.994 326 I CA -1.385 59.944 61.300 0.048 0.000 1.158 326 I CB 2.077 40.110 38.000 0.054 0.000 1.315 326 I HN 0.414 8.624 8.210 -0.000 0.000 0.451 327 V N 7.536 127.468 119.914 0.030 0.000 2.470 327 V HA 0.101 4.220 4.120 -0.002 0.000 0.276 327 V C 0.231 176.340 176.094 0.025 0.000 1.040 327 V CA -0.410 61.906 62.300 0.027 0.000 1.008 327 V CB 1.238 33.072 31.823 0.018 0.000 0.990 327 V HN 0.376 8.566 8.190 -0.000 0.000 0.477 328 V N 5.127 125.060 119.914 0.032 0.000 2.288 328 V HA 0.285 4.404 4.120 -0.002 0.000 0.266 328 V C 0.034 176.147 176.094 0.030 0.000 1.048 328 V CA -0.609 61.710 62.300 0.031 0.000 0.842 328 V CB 0.784 32.633 31.823 0.044 0.000 1.064 328 V HN 0.793 8.983 8.190 -0.000 0.000 0.472 329 D N 5.795 126.210 120.400 0.025 0.000 2.264 329 D HA 0.352 4.991 4.640 -0.002 0.000 0.249 329 D C -2.209 174.113 176.300 0.037 0.000 1.070 329 D CA -1.257 52.760 54.000 0.029 0.000 0.912 329 D CB 1.658 42.474 40.800 0.025 0.000 1.193 329 D HN 0.276 8.646 8.370 -0.000 0.000 0.427 330 P HA 0.107 4.527 4.420 -0.000 0.000 0.265 330 P C -2.341 174.995 177.300 0.060 0.000 1.187 330 P CA -0.707 62.425 63.100 0.053 0.000 0.766 330 P CB -0.197 31.534 31.700 0.052 0.000 0.820 331 P HA 0.107 4.527 4.420 -0.000 0.000 0.278 331 P C -0.489 176.850 177.300 0.066 0.000 1.238 331 P CA -0.241 62.897 63.100 0.062 0.000 0.794 331 P CB 0.676 32.414 31.700 0.065 0.000 0.955 332 D N 2.428 122.866 120.400 0.063 0.000 2.398 332 D HA 0.008 4.647 4.640 -0.002 0.000 0.264 332 D C 1.421 177.742 176.300 0.036 0.000 1.263 332 D CA -0.387 53.650 54.000 0.062 0.000 1.037 332 D CB -0.138 40.715 40.800 0.088 0.000 1.101 332 D HN 0.307 8.677 8.370 -0.000 0.000 0.551 333 M N -0.498 119.112 119.600 0.017 0.000 2.080 333 M HA -0.089 4.390 4.480 -0.002 0.000 0.260 333 M C 1.704 178.002 176.300 -0.004 0.000 1.068 333 M CA 1.658 56.955 55.300 -0.005 0.000 1.109 333 M CB -0.947 31.639 32.600 -0.024 0.000 1.342 333 M HN 0.385 8.675 8.290 -0.000 0.000 0.405 334 L N -0.018 121.209 121.223 0.007 0.000 2.191 334 L HA -0.038 4.301 4.340 -0.002 0.000 0.212 334 L C 2.564 179.440 176.870 0.010 0.000 1.103 334 L CA 1.063 55.906 54.840 0.005 0.000 0.769 334 L CB -1.249 40.816 42.059 0.011 0.000 0.908 334 L HN 0.674 8.904 8.230 -0.000 0.000 0.438 335 G N -0.574 108.239 108.800 0.021 0.000 2.408 335 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.215 335 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.215 335 G C 1.722 176.642 174.900 0.033 0.000 1.156 335 G CA -0.013 45.104 45.100 0.027 0.000 0.793 335 G HN 0.227 8.517 8.290 -0.000 0.000 0.535 336 R N 0.312 120.830 120.500 0.030 0.000 2.096 336 R HA -0.018 4.321 4.340 -0.002 0.000 0.235 336 R C 2.472 178.775 176.300 0.005 0.000 1.127 336 R CA 1.298 57.414 56.100 0.026 0.000 0.968 336 R CB -0.256 30.048 30.300 0.007 0.000 0.861 336 R HN 0.310 8.580 8.270 -0.000 0.000 0.440 337 K N 0.986 121.379 120.400 -0.012 0.000 2.063 337 K HA -0.166 4.153 4.320 -0.002 0.000 0.208 337 K C 1.739 178.333 176.600 -0.011 0.000 1.048 337 K CA 1.362 57.633 56.287 -0.028 0.000 0.928 337 K CB 0.188 32.668 32.500 -0.033 0.000 0.713 337 K HN -0.078 8.172 8.250 -0.000 0.000 0.442 338 K N 0.766 121.169 120.400 0.004 0.000 2.062 338 K HA -0.046 4.273 4.320 -0.002 0.000 0.205 338 K C 2.125 178.737 176.600 0.019 0.000 1.051 338 K CA 1.083 57.374 56.287 0.007 0.000 0.941 338 K CB -0.383 32.122 32.500 0.008 0.000 0.719 338 K HN 0.274 8.524 8.250 -0.000 0.000 0.440 339 I N 1.228 121.826 120.570 0.047 0.000 2.248 339 I HA -0.303 3.866 4.170 -0.002 0.000 0.248 339 I C 2.263 178.479 176.117 0.165 0.000 1.107 339 I CA 1.157 62.521 61.300 0.106 0.000 1.373 339 I CB -0.364 37.727 38.000 0.153 0.000 1.055 339 I HN 0.020 8.230 8.210 -0.000 0.000 0.418 340 L N 0.191 121.474 121.223 0.101 0.000 2.023 340 L HA -0.168 4.171 4.340 -0.002 0.000 0.205 340 L C 2.559 179.473 176.870 0.073 0.000 1.073 340 L CA 1.349 56.248 54.840 0.098 0.000 0.745 340 L CB -0.586 41.474 42.059 0.001 0.000 0.900 340 L HN 0.193 8.423 8.230 -0.000 0.000 0.435 341 E N 0.372 120.582 120.200 0.017 0.000 2.086 341 E HA -0.291 4.059 4.350 -0.002 0.000 0.200 341 E C 2.195 178.797 176.600 0.002 0.000 1.012 341 E CA 1.662 58.063 56.400 0.002 0.000 0.812 341 E CB -0.265 29.427 29.700 -0.013 0.000 0.743 341 E HN 0.493 8.853 8.360 -0.000 0.000 0.453 342 I N 0.452 121.008 120.570 -0.023 0.000 2.315 342 I HA -0.218 3.951 4.170 -0.002 0.000 0.248 342 I C 2.019 178.056 176.117 -0.133 0.000 1.117 342 I CA 0.955 62.193 61.300 -0.103 0.000 1.404 342 I CB -0.202 37.688 38.000 -0.184 0.000 1.071 342 I HN 0.180 8.390 8.210 -0.000 0.000 0.419 343 H N -0.906 118.185 119.070 0.035 0.000 2.539 343 H HA 0.106 4.661 4.556 -0.002 0.000 0.267 343 H C 1.497 176.862 175.328 0.061 0.000 0.982 343 H CA 0.637 56.714 56.048 0.048 0.000 1.146 343 H CB 0.434 30.233 29.762 0.061 0.000 1.382 343 H HN 0.164 8.444 8.280 -0.000 0.000 0.577 344 T N -0.337 114.299 114.554 0.136 0.000 3.040 344 T HA 0.081 4.430 4.350 -0.002 0.000 0.266 344 T C 1.945 176.685 174.700 0.067 0.000 1.005 344 T CA -0.312 61.860 62.100 0.121 0.000 0.906 344 T CB 0.402 69.337 68.868 0.111 0.000 1.082 344 T HN 0.225 8.465 8.240 -0.000 0.000 0.531 345 R N 2.153 122.676 120.500 0.037 0.000 2.112 345 R HA -0.007 4.332 4.340 -0.002 0.000 0.242 345 R C 0.536 176.850 176.300 0.023 0.000 1.137 345 R CA 1.161 57.270 56.100 0.016 0.000 0.944 345 R CB -0.347 29.949 30.300 -0.007 0.000 0.857 345 R HN 0.310 8.580 8.270 -0.000 0.000 0.435 346 N N 1.064 119.783 118.700 0.032 0.000 2.453 346 N HA 0.086 4.825 4.740 -0.002 0.000 0.270 346 N C -0.624 174.910 175.510 0.041 0.000 1.195 346 N CA 0.151 53.219 53.050 0.030 0.000 0.902 346 N CB 0.827 39.328 38.487 0.024 0.000 1.186 346 N HN 0.009 8.389 8.380 -0.000 0.000 0.510 347 K N 0.870 121.302 120.400 0.053 0.000 2.371 347 K HA 0.471 4.790 4.320 -0.002 0.000 0.251 347 K C -2.728 173.909 176.600 0.060 0.000 0.934 347 K CA -1.643 54.681 56.287 0.061 0.000 0.798 347 K CB 2.350 34.906 32.500 0.093 0.000 1.204 347 K HN -0.145 8.105 8.250 -0.000 0.000 0.427 348 P HA 0.288 4.708 4.420 -0.000 0.000 0.277 348 P C -0.652 176.690 177.300 0.069 0.000 1.354 348 P CA -0.218 62.910 63.100 0.047 0.000 0.891 348 P CB 0.209 31.928 31.700 0.032 0.000 1.058 349 L N 2.106 123.377 121.223 0.080 0.000 2.309 349 L HA 0.655 4.994 4.340 -0.002 0.000 0.282 349 L C 0.921 177.836 176.870 0.076 0.000 1.036 349 L CA -1.251 53.656 54.840 0.111 0.000 0.806 349 L CB 1.352 43.482 42.059 0.117 0.000 1.220 349 L HN 0.269 8.499 8.230 -0.000 0.000 0.429 350 A N 2.269 125.140 122.820 0.085 0.000 2.492 350 A HA 0.064 4.383 4.320 -0.002 0.000 0.236 350 A C 1.084 178.694 177.584 0.043 0.000 1.078 350 A CA -0.006 52.066 52.037 0.058 0.000 0.773 350 A CB 0.165 19.203 19.000 0.064 0.000 1.023 350 A HN 0.930 9.080 8.150 -0.000 0.000 0.504 351 E N 0.131 120.348 120.200 0.028 0.000 2.204 351 E HA -0.183 4.166 4.350 -0.002 0.000 0.194 351 E C 0.692 177.298 176.600 0.011 0.000 0.989 351 E CA 1.139 57.548 56.400 0.015 0.000 0.824 351 E CB -0.061 29.646 29.700 0.011 0.000 0.756 351 E HN 0.861 9.221 8.360 -0.000 0.000 0.477 352 D N 0.442 120.855 120.400 0.021 0.000 2.371 352 D HA -0.065 4.574 4.640 -0.002 0.000 0.234 352 D C 0.235 176.542 176.300 0.012 0.000 1.049 352 D CA 0.156 54.166 54.000 0.018 0.000 0.907 352 D CB -0.086 40.731 40.800 0.028 0.000 0.891 352 D HN -0.135 8.235 8.370 -0.000 0.000 0.531 353 V N 1.631 121.545 119.914 -0.000 0.000 2.432 353 V HA 0.155 4.274 4.120 -0.002 0.000 0.271 353 V C 0.166 176.191 176.094 -0.116 0.000 1.046 353 V CA -0.701 61.565 62.300 -0.057 0.000 0.945 353 V CB 0.861 32.648 31.823 -0.061 0.000 0.992 353 V HN 0.179 8.369 8.190 -0.000 0.000 0.471 354 N N 5.073 123.687 118.700 -0.143 0.000 2.564 354 N HA 0.334 5.073 4.740 -0.002 0.000 0.248 354 N C 0.569 175.960 175.510 -0.198 0.000 0.986 354 N CA -0.416 52.556 53.050 -0.130 0.000 0.921 354 N CB 1.358 39.804 38.487 -0.069 0.000 1.136 354 N HN 0.574 8.954 8.380 -0.000 0.000 0.509 355 L N 1.648 122.740 121.223 -0.219 0.000 2.275 355 L HA -0.040 4.299 4.340 -0.002 0.000 0.215 355 L C 2.043 178.817 176.870 -0.160 0.000 1.119 355 L CA 0.817 55.513 54.840 -0.241 0.000 0.790 355 L CB -0.034 41.905 42.059 -0.200 0.000 0.919 355 L HN 0.601 8.831 8.230 -0.000 0.000 0.443 356 E N 1.053 121.183 120.200 -0.116 0.000 2.072 356 E HA -0.198 4.151 4.350 -0.002 0.000 0.191 356 E C 2.299 178.842 176.600 -0.096 0.000 0.985 356 E CA 1.023 57.370 56.400 -0.087 0.000 0.801 356 E CB 0.069 29.733 29.700 -0.060 0.000 0.750 356 E HN 0.488 8.848 8.360 -0.000 0.000 0.452 357 I N 0.499 121.009 120.570 -0.099 0.000 2.439 357 I HA -0.214 3.955 4.170 -0.002 0.000 0.251 357 I C 2.118 178.147 176.117 -0.147 0.000 1.139 357 I CA 0.668 61.904 61.300 -0.106 0.000 1.438 357 I CB -0.087 37.878 38.000 -0.058 0.000 1.085 357 I HN 0.187 8.397 8.210 -0.000 0.000 0.427 358 I N 0.815 121.289 120.570 -0.161 0.000 2.315 358 I HA -0.221 3.948 4.170 -0.002 0.000 0.248 358 I C 2.753 178.751 176.117 -0.198 0.000 1.117 358 I CA 1.212 62.404 61.300 -0.179 0.000 1.404 358 I CB -0.372 37.497 38.000 -0.219 0.000 1.071 358 I HN 0.129 8.339 8.210 -0.000 0.000 0.419 359 A N 0.640 123.362 122.820 -0.163 0.000 1.873 359 A HA -0.218 4.101 4.320 -0.002 0.000 0.215 359 A C 2.304 179.814 177.584 -0.124 0.000 1.186 359 A CA 1.577 53.532 52.037 -0.136 0.000 0.616 359 A CB -0.468 18.478 19.000 -0.090 0.000 0.823 359 A HN 0.275 8.425 8.150 -0.000 0.000 0.442 360 K N -0.636 119.695 120.400 -0.115 0.000 2.113 360 K HA -0.120 4.199 4.320 -0.002 0.000 0.208 360 K C 1.849 178.376 176.600 -0.123 0.000 1.047 360 K CA 1.487 57.712 56.287 -0.105 0.000 0.928 360 K CB -0.142 32.296 32.500 -0.103 0.000 0.716 360 K HN 0.344 8.594 8.250 -0.000 0.000 0.446 361 R N 0.337 120.736 120.500 -0.170 0.000 2.334 361 R HA 0.011 4.351 4.340 -0.002 0.000 0.220 361 R C 0.331 176.526 176.300 -0.174 0.000 0.917 361 R CA 0.797 56.794 56.100 -0.172 0.000 1.073 361 R CB 0.440 30.611 30.300 -0.214 0.000 1.056 361 R HN 0.176 8.446 8.270 -0.000 0.000 0.506 362 T N -0.967 113.451 114.554 -0.225 0.000 3.483 362 T HA 0.238 4.587 4.350 -0.002 0.000 0.258 362 T C -2.479 172.278 174.700 0.095 0.000 1.013 362 T CA -1.626 60.272 62.100 -0.336 0.000 1.078 362 T CB 0.741 68.988 68.868 -1.036 0.000 1.111 362 T HN -0.062 8.178 8.240 -0.000 0.000 0.538 363 P HA 0.296 4.716 4.420 -0.000 0.000 0.268 363 P C 1.175 178.588 177.300 0.189 0.000 1.205 363 P CA 0.892 64.057 63.100 0.108 0.000 0.771 363 P CB 0.775 32.503 31.700 0.047 0.000 0.858 364 G N 1.824 110.709 108.800 0.141 0.000 2.234 364 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.260 364 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.260 364 G C -0.010 174.957 174.900 0.112 0.000 0.987 364 G CA -0.352 44.809 45.100 0.102 0.000 0.625 364 G HN 0.461 8.751 8.290 -0.000 0.000 0.532 365 F N 1.376 121.328 119.950 0.003 0.000 2.443 365 F HA 0.482 5.008 4.527 -0.002 0.000 0.353 365 F C 1.313 177.121 175.800 0.013 0.000 1.101 365 F CA -0.003 58.001 58.000 0.006 0.000 1.226 365 F CB 1.213 40.216 39.000 0.006 0.000 1.140 365 F HN 0.293 8.593 8.300 -0.000 0.000 0.557 366 V N 1.488 121.484 119.914 0.136 0.000 3.463 366 V HA 0.634 4.753 4.120 -0.002 0.000 0.302 366 V C 1.130 177.302 176.094 0.130 0.000 1.097 366 V CA -0.029 62.336 62.300 0.109 0.000 1.003 366 V CB 0.665 32.520 31.823 0.054 0.000 1.229 366 V HN 0.812 9.002 8.190 -0.000 0.000 0.444 367 G N -0.284 108.583 108.800 0.111 0.000 2.491 367 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.218 367 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.218 367 G C 1.493 176.436 174.900 0.072 0.000 1.180 367 G CA 1.484 46.662 45.100 0.129 0.000 0.774 367 G HN 1.473 9.763 8.290 -0.000 0.000 0.562 368 A N 0.756 123.607 122.820 0.052 0.000 1.972 368 A HA -0.029 4.290 4.320 -0.002 0.000 0.219 368 A C 2.080 179.665 177.584 0.001 0.000 1.169 368 A CA 2.078 54.120 52.037 0.008 0.000 0.635 368 A CB -0.306 18.705 19.000 0.019 0.000 0.810 368 A HN 0.319 8.469 8.150 -0.000 0.000 0.446 369 D N 0.284 120.709 120.400 0.042 0.000 2.097 369 D HA -0.098 4.541 4.640 -0.002 0.000 0.197 369 D C 1.943 178.394 176.300 0.253 0.000 0.984 369 D CA 1.048 55.103 54.000 0.093 0.000 0.826 369 D CB -0.422 40.356 40.800 -0.036 0.000 0.973 369 D HN 0.455 8.825 8.370 -0.000 0.000 0.460 370 L N 0.799 122.163 121.223 0.236 0.000 2.127 370 L HA -0.156 4.183 4.340 -0.002 0.000 0.211 370 L C 2.454 179.300 176.870 -0.040 0.000 1.089 370 L CA 1.093 56.012 54.840 0.131 0.000 0.757 370 L CB -0.331 41.795 42.059 0.112 0.000 0.899 370 L HN 0.054 8.284 8.230 -0.000 0.000 0.434 371 E N 0.183 120.243 120.200 -0.232 0.000 2.152 371 E HA -0.220 4.129 4.350 -0.002 0.000 0.192 371 E C 1.938 178.444 176.600 -0.156 0.000 0.983 371 E CA 0.783 56.909 56.400 -0.458 0.000 0.818 371 E CB 0.110 29.419 29.700 -0.651 0.000 0.758 371 E HN 0.334 8.694 8.360 -0.000 0.000 0.467 372 N N 0.462 119.126 118.700 -0.060 0.000 2.216 372 N HA -0.126 4.613 4.740 -0.002 0.000 0.183 372 N C 1.802 177.322 175.510 0.017 0.000 1.017 372 N CA 0.485 53.527 53.050 -0.012 0.000 0.861 372 N CB -0.172 38.322 38.487 0.010 0.000 0.986 372 N HN 0.204 8.584 8.380 -0.000 0.000 0.428 373 L N 0.600 121.865 121.223 0.070 0.000 1.970 373 L HA -0.107 4.232 4.340 -0.002 0.000 0.212 373 L C 2.105 178.979 176.870 0.007 0.000 1.071 373 L CA 1.490 56.378 54.840 0.080 0.000 0.751 373 L CB -0.978 41.150 42.059 0.115 0.000 0.889 373 L HN -0.026 8.204 8.230 -0.000 0.000 0.432 374 V N 0.256 120.196 119.914 0.044 0.000 2.380 374 V HA -0.358 3.761 4.120 -0.002 0.000 0.251 374 V C 2.439 178.482 176.094 -0.084 0.000 1.063 374 V CA 2.136 64.449 62.300 0.022 0.000 1.055 374 V CB -1.103 30.793 31.823 0.121 0.000 0.657 374 V HN 0.621 8.811 8.190 -0.000 0.000 0.455 375 N N -0.183 118.485 118.700 -0.053 0.000 2.142 375 N HA -0.155 4.584 4.740 -0.002 0.000 0.186 375 N C 1.856 177.317 175.510 -0.081 0.000 1.023 375 N CA 1.091 54.107 53.050 -0.056 0.000 0.852 375 N CB -0.117 38.350 38.487 -0.033 0.000 0.998 375 N HN 0.363 8.742 8.380 -0.000 0.000 0.424 376 E N 0.051 120.205 120.200 -0.077 0.000 2.153 376 E HA -0.111 4.239 4.350 -0.002 0.000 0.194 376 E C 1.747 178.263 176.600 -0.142 0.000 0.988 376 E CA 0.951 57.304 56.400 -0.078 0.000 0.811 376 E CB -0.351 29.326 29.700 -0.040 0.000 0.746 376 E HN 0.499 8.859 8.360 -0.000 0.000 0.466 377 A N 1.085 123.749 122.820 -0.259 0.000 1.929 377 A HA 0.009 4.328 4.320 -0.002 0.000 0.216 377 A C 2.378 179.784 177.584 -0.298 0.000 1.176 377 A CA 1.621 53.408 52.037 -0.417 0.000 0.628 377 A CB -0.365 18.015 19.000 -1.032 0.000 0.816 377 A HN 0.254 8.404 8.150 -0.000 0.000 0.444 378 A N -0.170 122.513 122.820 -0.227 0.000 1.898 378 A HA -0.005 4.314 4.320 -0.002 0.000 0.216 378 A C 2.121 179.652 177.584 -0.087 0.000 1.181 378 A CA 1.350 53.309 52.037 -0.130 0.000 0.620 378 A CB -0.575 18.375 19.000 -0.084 0.000 0.819 378 A HN 0.455 8.605 8.150 -0.000 0.000 0.442 379 L N -1.030 120.146 121.223 -0.079 0.000 2.131 379 L HA -0.179 4.160 4.340 -0.002 0.000 0.210 379 L C 2.484 179.324 176.870 -0.051 0.000 1.092 379 L CA 0.627 55.435 54.840 -0.053 0.000 0.759 379 L CB -0.414 41.619 42.059 -0.044 0.000 0.903 379 L HN 0.324 8.554 8.230 -0.000 0.000 0.435 380 L N -0.214 120.967 121.223 -0.069 0.000 2.027 380 L HA -0.136 4.203 4.340 -0.002 0.000 0.206 380 L C 2.697 179.538 176.870 -0.050 0.000 1.074 380 L CA 2.139 56.943 54.840 -0.059 0.000 0.745 380 L CB -1.139 40.872 42.059 -0.080 0.000 0.898 380 L HN 0.165 8.395 8.230 -0.000 0.000 0.433 381 A N -1.035 121.747 122.820 -0.063 0.000 1.898 381 A HA -0.076 4.243 4.320 -0.002 0.000 0.216 381 A C 2.424 179.991 177.584 -0.029 0.000 1.181 381 A CA 1.597 53.608 52.037 -0.043 0.000 0.620 381 A CB -0.937 18.034 19.000 -0.048 0.000 0.819 381 A HN 0.427 8.577 8.150 -0.000 0.000 0.442 382 A N -0.396 122.405 122.820 -0.032 0.000 1.978 382 A HA -0.187 4.132 4.320 -0.002 0.000 0.220 382 A C 2.196 179.770 177.584 -0.018 0.000 1.170 382 A CA 1.765 53.788 52.037 -0.022 0.000 0.636 382 A CB -0.477 18.509 19.000 -0.023 0.000 0.810 382 A HN 0.530 8.680 8.150 -0.000 0.000 0.448 383 R N -0.263 120.225 120.500 -0.020 0.000 2.152 383 R HA -0.088 4.251 4.340 -0.002 0.000 0.232 383 R C 0.867 177.161 176.300 -0.011 0.000 1.117 383 R CA 1.518 57.609 56.100 -0.015 0.000 0.981 383 R CB -0.069 30.221 30.300 -0.016 0.000 0.870 383 R HN 0.635 8.905 8.270 -0.000 0.000 0.451 384 E N -1.289 118.904 120.200 -0.012 0.000 2.499 384 E HA 0.139 4.488 4.350 -0.002 0.000 0.199 384 E C 0.194 176.790 176.600 -0.006 0.000 1.016 384 E CA 0.251 56.646 56.400 -0.007 0.000 0.933 384 E CB 1.167 30.863 29.700 -0.007 0.000 1.050 384 E HN 0.485 8.845 8.360 -0.000 0.000 0.462 385 G N 2.560 111.355 108.800 -0.007 0.000 2.296 385 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.282 385 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.282 385 G C 0.243 175.140 174.900 -0.004 0.000 1.014 385 G CA 0.534 45.631 45.100 -0.006 0.000 0.812 385 G HN 0.193 8.483 8.290 -0.000 0.000 0.508 386 R N -0.522 119.975 120.500 -0.005 0.000 2.543 386 R HA 0.444 4.783 4.340 -0.002 0.000 0.268 386 R C 1.039 177.338 176.300 -0.002 0.000 1.067 386 R CA 0.060 56.159 56.100 -0.002 0.000 1.142 386 R CB 0.369 30.668 30.300 -0.002 0.000 1.110 386 R HN 0.315 8.585 8.270 -0.000 0.000 0.549 387 D N -0.298 120.104 120.400 0.003 0.000 2.417 387 D HA 0.040 4.679 4.640 -0.002 0.000 0.207 387 D C -0.434 175.873 176.300 0.011 0.000 1.075 387 D CA 0.287 54.291 54.000 0.006 0.000 0.851 387 D CB 0.460 41.264 40.800 0.007 0.000 0.976 387 D HN 0.183 8.553 8.370 -0.000 0.000 0.505 388 K N 0.558 120.966 120.400 0.015 0.000 2.378 388 K HA 0.525 4.844 4.320 -0.002 0.000 0.252 388 K C -0.547 176.069 176.600 0.027 0.000 0.931 388 K CA -0.734 55.569 56.287 0.027 0.000 0.794 388 K CB 2.846 35.366 32.500 0.032 0.000 1.181 388 K HN -0.081 8.169 8.250 -0.000 0.000 0.425 389 I N 2.558 123.152 120.570 0.041 0.000 2.371 389 I HA 0.110 4.279 4.170 -0.002 0.000 0.290 389 I C 0.610 176.802 176.117 0.125 0.000 1.028 389 I CA -0.236 61.081 61.300 0.029 0.000 1.345 389 I CB 1.075 39.063 38.000 -0.021 0.000 1.407 389 I HN 0.671 8.881 8.210 -0.000 0.000 0.501 390 T N 1.940 116.558 114.554 0.106 0.000 2.940 390 T HA 0.316 4.665 4.350 -0.002 0.000 0.288 390 T C 0.781 175.629 174.700 0.246 0.000 1.033 390 T CA -0.883 61.303 62.100 0.145 0.000 1.033 390 T CB 1.806 70.720 68.868 0.076 0.000 1.079 390 T HN 0.533 8.773 8.240 -0.000 0.000 0.496 391 M N 1.398 121.123 119.600 0.209 0.000 2.103 391 M HA -0.152 4.327 4.480 -0.002 0.000 0.255 391 M C 2.073 178.479 176.300 0.177 0.000 1.074 391 M CA 1.993 57.413 55.300 0.199 0.000 1.090 391 M CB -0.901 31.756 32.600 0.096 0.000 1.325 391 M HN 0.782 9.072 8.290 -0.000 0.000 0.403 392 K N -0.318 120.148 120.400 0.109 0.000 2.044 392 K HA -0.217 4.102 4.320 -0.002 0.000 0.210 392 K C 1.663 178.304 176.600 0.069 0.000 1.049 392 K CA 1.796 58.129 56.287 0.078 0.000 0.927 392 K CB -0.611 31.916 32.500 0.046 0.000 0.713 392 K HN 0.481 8.731 8.250 -0.000 0.000 0.443 393 D N 0.220 120.644 120.400 0.041 0.000 2.123 393 D HA -0.158 4.481 4.640 -0.002 0.000 0.196 393 D C 1.897 178.144 176.300 -0.088 0.000 0.992 393 D CA 1.262 55.228 54.000 -0.057 0.000 0.833 393 D CB -0.373 40.337 40.800 -0.150 0.000 0.954 393 D HN 0.135 8.505 8.370 -0.000 0.000 0.455 394 F N 1.731 121.684 119.950 0.005 0.000 2.102 394 F HA -0.101 4.425 4.527 -0.002 0.000 0.298 394 F C 2.584 178.383 175.800 -0.002 0.000 1.105 394 F CA 1.013 59.010 58.000 -0.005 0.000 1.239 394 F CB -0.169 38.823 39.000 -0.014 0.000 0.991 394 F HN -0.107 8.193 8.300 -0.000 0.000 0.474 395 E N -0.011 120.312 120.200 0.204 0.000 2.051 395 E HA -0.261 4.088 4.350 -0.002 0.000 0.192 395 E C 2.027 178.687 176.600 0.099 0.000 0.991 395 E CA 1.512 57.998 56.400 0.143 0.000 0.799 395 E CB -0.379 29.411 29.700 0.150 0.000 0.748 395 E HN 0.348 8.708 8.360 -0.000 0.000 0.449 396 E N 1.194 121.439 120.200 0.075 0.000 2.153 396 E HA -0.123 4.226 4.350 -0.002 0.000 0.194 396 E C 1.806 178.425 176.600 0.031 0.000 0.988 396 E CA 1.221 57.651 56.400 0.049 0.000 0.811 396 E CB -0.145 29.574 29.700 0.031 0.000 0.746 396 E HN 0.221 8.581 8.360 -0.000 0.000 0.466 397 A N 0.300 123.129 122.820 0.015 0.000 1.930 397 A HA -0.071 4.248 4.320 -0.002 0.000 0.217 397 A C 2.238 179.848 177.584 0.043 0.000 1.175 397 A CA 1.245 53.282 52.037 -0.000 0.000 0.627 397 A CB -0.549 18.414 19.000 -0.062 0.000 0.815 397 A HN 0.339 8.489 8.150 -0.000 0.000 0.443 398 I N 0.122 120.726 120.570 0.057 0.000 2.113 398 I HA -0.250 3.919 4.170 -0.002 0.000 0.238 398 I C 1.925 178.083 176.117 0.070 0.000 1.070 398 I CA 1.565 62.905 61.300 0.067 0.000 1.332 398 I CB -0.584 37.426 38.000 0.017 0.000 1.044 398 I HN 0.228 8.438 8.210 -0.000 0.000 0.402 399 D N 0.878 121.304 120.400 0.044 0.000 2.149 399 D HA -0.210 4.429 4.640 -0.002 0.000 0.194 399 D C 2.312 178.610 176.300 -0.003 0.000 1.001 399 D CA 1.422 55.426 54.000 0.005 0.000 0.849 399 D CB -0.355 40.458 40.800 0.021 0.000 0.939 399 D HN 0.320 8.690 8.370 -0.000 0.000 0.449 400 R N 0.055 120.565 120.500 0.017 0.000 2.115 400 R HA -0.018 4.321 4.340 -0.002 0.000 0.230 400 R C 2.381 178.689 176.300 0.015 0.000 1.111 400 R CA 0.356 56.462 56.100 0.009 0.000 0.976 400 R CB -0.098 30.208 30.300 0.010 0.000 0.870 400 R HN 0.075 8.345 8.270 -0.000 0.000 0.445 401 V N 0.768 120.709 119.914 0.046 0.000 2.346 401 V HA -0.163 3.956 4.120 -0.002 0.000 0.244 401 V C 2.104 178.218 176.094 0.032 0.000 1.037 401 V CA 1.466 63.801 62.300 0.058 0.000 1.029 401 V CB -0.216 31.694 31.823 0.144 0.000 0.663 401 V HN 0.227 8.417 8.190 -0.000 0.000 0.454 402 I N 0.570 121.173 120.570 0.056 0.000 2.094 402 I HA -0.138 4.031 4.170 -0.002 0.000 0.234 402 I C 2.129 178.227 176.117 -0.033 0.000 1.063 402 I CA 1.791 63.100 61.300 0.016 0.000 1.328 402 I CB -0.465 37.563 38.000 0.047 0.000 1.058 402 I HN 0.275 8.485 8.210 -0.000 0.000 0.400 403 A N 0.556 123.338 122.820 -0.062 0.000 2.462 403 A HA 0.482 4.801 4.320 -0.002 0.000 0.261 403 A C 0.959 178.506 177.584 -0.062 0.000 1.323 403 A CA 0.383 52.363 52.037 -0.096 0.000 0.913 403 A CB -0.900 17.973 19.000 -0.213 0.000 1.028 403 A HN 0.639 8.789 8.150 -0.000 0.000 0.511 404 G N 0.071 108.850 108.800 -0.035 0.000 2.804 404 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.230 404 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.230 404 G C -2.614 172.280 174.900 -0.010 0.000 1.386 404 G CA -0.381 44.708 45.100 -0.018 0.000 0.875 404 G HN 0.339 8.629 8.290 -0.000 0.000 0.557 405 P HA 0.474 4.894 4.420 -0.000 0.000 0.288 405 P C -0.106 177.206 177.300 0.020 0.000 1.291 405 P CA 0.631 63.736 63.100 0.009 0.000 0.766 405 P CB 0.307 32.011 31.700 0.007 0.000 1.242 406 A N 0.377 123.214 122.820 0.029 0.000 2.273 406 A HA 0.325 4.644 4.320 -0.002 0.000 0.320 406 A C 0.181 177.787 177.584 0.037 0.000 1.358 406 A CA -0.629 51.436 52.037 0.047 0.000 0.910 406 A CB -0.182 18.850 19.000 0.054 0.000 1.159 406 A HN 0.313 8.463 8.150 -0.000 0.000 0.526 407 R N 2.200 122.724 120.500 0.040 0.000 4.113 407 R HA 0.142 4.481 4.340 -0.002 0.000 0.179 407 R C 1.220 177.536 176.300 0.027 0.000 1.781 407 R CA 0.413 56.530 56.100 0.029 0.000 1.402 407 R CB -0.155 30.161 30.300 0.027 0.000 1.375 407 R HN 0.716 8.986 8.270 -0.000 0.000 0.786 408 K N 0.686 121.100 120.400 0.023 0.000 2.611 408 K HA -0.053 4.266 4.320 -0.002 0.000 0.193 408 K C 1.519 178.127 176.600 0.013 0.000 1.026 408 K CA 1.048 57.346 56.287 0.019 0.000 1.063 408 K CB 0.084 32.594 32.500 0.017 0.000 0.839 408 K HN 0.384 8.634 8.250 -0.000 0.000 0.505 409 S N 0.306 116.013 115.700 0.013 0.000 2.355 409 S HA 0.065 4.534 4.470 -0.002 0.000 0.216 409 S C 0.914 175.519 174.600 0.008 0.000 1.037 409 S CA 0.466 58.672 58.200 0.009 0.000 0.955 409 S CB -0.518 62.687 63.200 0.008 0.000 0.877 409 S HN 0.673 8.983 8.310 -0.000 0.000 0.488 410 L N 1.770 122.998 121.223 0.010 0.000 2.483 410 L HA 0.530 4.869 4.340 -0.002 0.000 0.275 410 L C -0.360 176.514 176.870 0.007 0.000 1.220 410 L CA -0.357 54.487 54.840 0.008 0.000 0.833 410 L CB -0.456 41.608 42.059 0.009 0.000 1.102 410 L HN 0.281 8.511 8.230 -0.000 0.000 0.490 411 L N 4.036 125.262 121.223 0.004 0.000 2.276 411 L HA 0.601 4.940 4.340 -0.002 0.000 0.286 411 L C -0.599 176.271 176.870 0.001 0.000 1.024 411 L CA -0.005 54.837 54.840 0.003 0.000 0.826 411 L CB 0.336 42.396 42.059 0.003 0.000 1.211 411 L HN 0.599 8.829 8.230 -0.000 0.000 0.422 412 I N 4.076 124.647 120.570 0.001 0.000 2.377 412 I HA 0.388 4.557 4.170 -0.002 0.000 0.293 412 I C 0.458 176.574 176.117 -0.001 0.000 0.987 412 I CA -0.612 60.687 61.300 -0.002 0.000 1.185 412 I CB 1.820 39.819 38.000 -0.002 0.000 1.341 412 I HN 0.719 8.929 8.210 -0.000 0.000 0.455 413 S N 5.440 121.138 115.700 -0.004 0.000 2.593 413 S HA 0.267 4.736 4.470 -0.002 0.000 0.269 413 S C -1.923 172.679 174.600 0.003 0.000 1.334 413 S CA -1.027 57.173 58.200 -0.001 0.000 1.015 413 S CB 0.910 64.108 63.200 -0.003 0.000 0.912 413 S HN 0.396 8.706 8.310 -0.000 0.000 0.541 414 P HA -0.130 4.290 4.420 -0.000 0.000 0.216 414 P C 1.594 178.911 177.300 0.029 0.000 1.153 414 P CA 2.014 65.127 63.100 0.021 0.000 0.858 414 P CB -0.236 31.480 31.700 0.025 0.000 0.789 415 A N 0.085 122.916 122.820 0.019 0.000 1.877 415 A HA -0.233 4.086 4.320 -0.002 0.000 0.216 415 A C 2.115 179.681 177.584 -0.030 0.000 1.186 415 A CA 1.660 53.703 52.037 0.009 0.000 0.620 415 A CB -1.204 17.792 19.000 -0.007 0.000 0.822 415 A HN 0.208 8.358 8.150 -0.000 0.000 0.443 416 E N -0.176 120.002 120.200 -0.036 0.000 2.204 416 E HA -0.165 4.184 4.350 -0.002 0.000 0.194 416 E C 1.906 178.493 176.600 -0.021 0.000 0.989 416 E CA 1.082 57.451 56.400 -0.051 0.000 0.824 416 E CB -0.146 29.529 29.700 -0.042 0.000 0.756 416 E HN 0.590 8.950 8.360 -0.000 0.000 0.477 417 K N 0.527 120.929 120.400 0.004 0.000 2.155 417 K HA -0.027 4.292 4.320 -0.002 0.000 0.203 417 K C 2.203 178.833 176.600 0.050 0.000 1.052 417 K CA 0.489 56.786 56.287 0.017 0.000 0.948 417 K CB 0.096 32.605 32.500 0.014 0.000 0.728 417 K HN -0.026 8.224 8.250 -0.000 0.000 0.448 418 R N 0.716 121.272 120.500 0.092 0.000 2.073 418 R HA -0.087 4.252 4.340 -0.002 0.000 0.234 418 R C 2.290 178.788 176.300 0.330 0.000 1.134 418 R CA 1.273 57.510 56.100 0.227 0.000 0.952 418 R CB -0.554 29.947 30.300 0.335 0.000 0.850 418 R HN 0.200 8.470 8.270 -0.000 0.000 0.433 419 I N 0.803 121.435 120.570 0.104 0.000 2.179 419 I HA -0.284 3.885 4.170 -0.002 0.000 0.242 419 I C 2.386 178.602 176.117 0.165 0.000 1.088 419 I CA 1.316 62.623 61.300 0.011 0.000 1.357 419 I CB -0.298 37.518 38.000 -0.307 0.000 1.051 419 I HN 0.066 8.276 8.210 -0.000 0.000 0.409 420 I N 0.600 121.217 120.570 0.078 0.000 2.151 420 I HA -0.359 3.810 4.170 -0.002 0.000 0.243 420 I C 2.791 178.981 176.117 0.121 0.000 1.080 420 I CA 1.482 62.827 61.300 0.074 0.000 1.339 420 I CB -0.686 37.321 38.000 0.011 0.000 1.039 420 I HN 0.236 8.446 8.210 -0.000 0.000 0.409 421 A N 0.468 123.336 122.820 0.080 0.000 1.851 421 A HA -0.274 4.045 4.320 -0.002 0.000 0.216 421 A C 2.232 179.820 177.584 0.007 0.000 1.195 421 A CA 1.756 53.791 52.037 -0.003 0.000 0.622 421 A CB -1.343 17.602 19.000 -0.091 0.000 0.831 421 A HN 0.400 8.550 8.150 -0.000 0.000 0.444 422 Y N -0.999 119.396 120.300 0.158 0.000 2.114 422 Y HA -0.333 4.216 4.550 -0.001 0.000 0.282 422 Y C 2.521 178.500 175.900 0.131 0.000 1.165 422 Y CA 2.306 60.503 58.100 0.160 0.000 1.148 422 Y CB -0.635 38.000 38.460 0.292 0.000 0.972 422 Y HN 0.678 8.958 8.280 -0.000 0.000 0.504 423 H N -0.014 119.200 119.070 0.240 0.000 2.265 423 H HA -0.190 4.364 4.556 -0.002 0.000 0.295 423 H C 2.167 177.537 175.328 0.070 0.000 1.084 423 H CA 2.269 58.388 56.048 0.119 0.000 1.261 423 H CB 0.031 29.859 29.762 0.110 0.000 1.360 423 H HN 0.147 8.427 8.280 -0.000 0.000 0.487 424 E N 0.384 120.761 120.200 0.295 0.000 2.058 424 E HA -0.180 4.169 4.350 -0.002 0.000 0.194 424 E C 2.492 179.154 176.600 0.103 0.000 0.997 424 E CA 1.027 57.568 56.400 0.234 0.000 0.801 424 E CB -0.827 28.950 29.700 0.128 0.000 0.746 424 E HN 0.639 8.999 8.360 -0.000 0.000 0.450 425 A N 1.251 124.092 122.820 0.035 0.000 1.940 425 A HA -0.135 4.184 4.320 -0.002 0.000 0.219 425 A C 2.487 180.075 177.584 0.007 0.000 1.176 425 A CA 2.117 54.150 52.037 -0.006 0.000 0.631 425 A CB -1.203 17.757 19.000 -0.066 0.000 0.814 425 A HN 0.345 8.495 8.150 -0.000 0.000 0.446 426 G N -0.963 107.833 108.800 -0.007 0.000 2.514 426 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.217 426 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.217 426 G C 1.508 176.352 174.900 -0.092 0.000 1.198 426 G CA 1.219 46.273 45.100 -0.077 0.000 0.780 426 G HN 0.654 8.944 8.290 -0.000 0.000 0.565 427 H N 0.876 119.923 119.070 -0.038 0.000 2.319 427 H HA -0.103 4.452 4.556 -0.002 0.000 0.297 427 H C 2.956 178.301 175.328 0.029 0.000 1.097 427 H CA 1.628 57.682 56.048 0.011 0.000 1.285 427 H CB -0.600 29.198 29.762 0.058 0.000 1.368 427 H HN 0.396 8.676 8.280 -0.000 0.000 0.495 428 A N 0.542 123.443 122.820 0.135 0.000 1.873 428 A HA -0.088 4.231 4.320 -0.002 0.000 0.215 428 A C 2.927 180.514 177.584 0.005 0.000 1.186 428 A CA 1.490 53.558 52.037 0.052 0.000 0.616 428 A CB -0.912 18.086 19.000 -0.003 0.000 0.823 428 A HN 0.196 8.346 8.150 -0.000 0.000 0.442 429 V N -0.192 119.706 119.914 -0.028 0.000 2.231 429 V HA -0.287 3.832 4.120 -0.002 0.000 0.248 429 V C 2.596 178.626 176.094 -0.106 0.000 1.054 429 V CA 2.307 64.548 62.300 -0.099 0.000 1.015 429 V CB -0.900 30.868 31.823 -0.092 0.000 0.638 429 V HN 0.368 8.558 8.190 -0.000 0.000 0.444 430 V N -0.666 119.221 119.914 -0.046 0.000 2.392 430 V HA -0.263 3.856 4.120 -0.002 0.000 0.249 430 V C 2.633 178.728 176.094 0.003 0.000 1.059 430 V CA 2.332 64.615 62.300 -0.027 0.000 1.051 430 V CB -0.629 31.193 31.823 -0.001 0.000 0.658 430 V HN 0.588 8.778 8.190 -0.000 0.000 0.455 431 S N -0.650 115.082 115.700 0.054 0.000 2.368 431 S HA -0.190 4.279 4.470 -0.002 0.000 0.224 431 S C 2.103 176.733 174.600 0.050 0.000 1.029 431 S CA 2.144 60.401 58.200 0.094 0.000 0.988 431 S CB -0.284 63.056 63.200 0.234 0.000 0.838 431 S HN 0.721 9.031 8.310 -0.000 0.000 0.462 432 T N 1.321 115.879 114.554 0.007 0.000 2.737 432 T HA -0.024 4.326 4.350 -0.002 0.000 0.265 432 T C 1.839 176.497 174.700 -0.070 0.000 1.038 432 T CA 1.366 63.448 62.100 -0.031 0.000 1.144 432 T CB -0.446 68.380 68.868 -0.069 0.000 0.866 432 T HN 0.228 8.468 8.240 -0.000 0.000 0.434 433 V N 1.054 120.887 119.914 -0.134 0.000 2.358 433 V HA -0.028 4.091 4.120 -0.002 0.000 0.246 433 V C 1.420 177.487 176.094 -0.045 0.000 1.047 433 V CA 0.739 62.949 62.300 -0.151 0.000 1.035 433 V CB -0.336 31.317 31.823 -0.283 0.000 0.658 433 V HN 0.258 8.448 8.190 -0.000 0.000 0.452 434 V N 1.667 121.566 119.914 -0.024 0.000 2.585 434 V HA 0.057 4.176 4.120 -0.002 0.000 0.296 434 V C -0.715 175.383 176.094 0.007 0.000 1.035 434 V CA -0.687 61.614 62.300 0.003 0.000 1.084 434 V CB 1.224 33.053 31.823 0.011 0.000 0.953 434 V HN 0.359 8.549 8.190 -0.000 0.000 0.483 435 P HA -0.133 4.287 4.420 -0.000 0.000 0.213 435 P C 0.947 178.253 177.300 0.010 0.000 1.170 435 P CA 1.423 64.531 63.100 0.012 0.000 0.902 435 P CB 0.065 31.774 31.700 0.014 0.000 0.789 436 N N -0.671 118.034 118.700 0.009 0.000 2.383 436 N HA 0.041 4.780 4.740 -0.002 0.000 0.192 436 N C 1.074 176.585 175.510 0.000 0.000 1.141 436 N CA 0.298 53.350 53.050 0.004 0.000 0.851 436 N CB -0.224 38.264 38.487 0.001 0.000 0.976 436 N HN 0.128 8.508 8.380 -0.000 0.000 0.465 437 G N 0.869 109.674 108.800 0.008 0.000 2.474 437 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.233 437 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.233 437 G C 0.016 174.927 174.900 0.018 0.000 1.278 437 G CA -0.207 44.899 45.100 0.010 0.000 0.861 437 G HN 0.200 8.490 8.290 -0.000 0.000 0.567 438 E N 1.918 122.121 120.200 0.004 0.000 2.376 438 E HA 0.092 4.441 4.350 -0.002 0.000 0.266 438 E C -1.961 174.747 176.600 0.180 0.000 1.009 438 E CA -1.111 55.323 56.400 0.056 0.000 0.902 438 E CB 0.675 30.387 29.700 0.020 0.000 0.972 438 E HN 0.225 8.585 8.360 -0.000 0.000 0.439 439 P HA -0.048 4.372 4.420 -0.000 0.000 0.268 439 P C -0.705 176.680 177.300 0.141 0.000 1.204 439 P CA -0.115 63.057 63.100 0.119 0.000 0.768 439 P CB 0.483 32.225 31.700 0.071 0.000 0.842 440 V N 3.029 122.973 119.914 0.050 0.000 2.763 440 V HA -0.061 4.059 4.120 -0.002 0.000 0.306 440 V C 1.485 177.575 176.094 -0.006 0.000 1.059 440 V CA 0.858 63.090 62.300 -0.114 0.000 1.138 440 V CB 0.309 32.054 31.823 -0.128 0.000 0.940 440 V HN 0.744 8.934 8.190 -0.000 0.000 0.489 441 H N 3.438 122.433 119.070 -0.126 0.000 2.501 441 H HA 0.423 4.978 4.556 -0.002 0.000 0.281 441 H C 0.825 176.124 175.328 -0.049 0.000 0.988 441 H CA 0.517 56.532 56.048 -0.056 0.000 1.232 441 H CB 0.537 30.282 29.762 -0.027 0.000 1.455 441 H HN 0.610 8.890 8.280 -0.000 0.000 0.501 442 R N 0.118 120.577 120.500 -0.068 0.000 2.604 442 R HA 0.406 4.745 4.340 -0.002 0.000 0.261 442 R C -2.019 174.246 176.300 -0.059 0.000 1.080 442 R CA -0.525 55.517 56.100 -0.098 0.000 0.917 442 R CB 1.151 31.414 30.300 -0.063 0.000 1.252 442 R HN 0.164 8.434 8.270 -0.000 0.000 0.456 443 I N 2.055 122.571 120.570 -0.090 0.000 2.406 443 I HA 0.440 4.609 4.170 -0.002 0.000 0.290 443 I C -0.389 175.620 176.117 -0.179 0.000 0.999 443 I CA -0.674 60.554 61.300 -0.120 0.000 1.124 443 I CB 2.069 40.012 38.000 -0.095 0.000 1.289 443 I HN 0.464 8.674 8.210 -0.000 0.000 0.441 444 S N 5.003 120.483 115.700 -0.366 0.000 2.526 444 S HA 0.596 5.065 4.470 -0.002 0.000 0.293 444 S C -0.219 174.089 174.600 -0.487 0.000 1.092 444 S CA -0.332 57.603 58.200 -0.442 0.000 0.980 444 S CB 1.636 64.509 63.200 -0.545 0.000 1.048 444 S HN 0.519 8.829 8.310 -0.000 0.000 0.483 445 I N 3.837 124.253 120.570 -0.258 0.000 4.081 445 I HA 0.462 4.631 4.170 -0.002 0.000 0.333 445 I C -0.429 175.631 176.117 -0.095 0.000 1.413 445 I CA -0.248 60.959 61.300 -0.156 0.000 1.110 445 I CB 0.120 38.066 38.000 -0.090 0.000 1.082 445 I HN 0.606 8.816 8.210 -0.000 0.000 0.402 446 I N 3.459 123.972 120.570 -0.096 0.000 2.352 446 I HA 0.227 4.396 4.170 -0.002 0.000 0.290 446 I C -2.020 174.163 176.117 0.109 0.000 1.036 446 I CA -1.742 59.566 61.300 0.014 0.000 1.336 446 I CB 0.539 38.565 38.000 0.044 0.000 1.407 446 I HN -0.066 8.144 8.210 -0.000 0.000 0.497 447 P HA 0.233 4.653 4.420 -0.000 0.000 0.269 447 P C -0.806 176.571 177.300 0.128 0.000 1.209 447 P CA -0.350 62.817 63.100 0.112 0.000 0.776 447 P CB 0.574 32.309 31.700 0.059 0.000 0.876 448 R N 1.562 122.135 120.500 0.121 0.000 2.510 448 R HA 0.575 4.914 4.340 -0.002 0.000 0.287 448 R C 0.195 176.509 176.300 0.022 0.000 1.084 448 R CA 0.370 56.511 56.100 0.067 0.000 0.934 448 R CB 1.108 31.428 30.300 0.033 0.000 1.201 448 R HN 0.763 9.033 8.270 -0.000 0.000 0.431 449 G N 1.012 109.819 108.800 0.010 0.000 2.601 449 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.261 449 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.261 449 G C -0.294 174.609 174.900 0.005 0.000 1.289 449 G CA 0.007 45.106 45.100 -0.001 0.000 0.920 449 G HN 1.098 9.388 8.290 -0.000 0.000 0.571 450 Y N -0.055 120.244 120.300 -0.001 0.000 2.730 450 Y HA 0.590 5.139 4.550 -0.002 0.000 0.357 450 Y C 1.685 177.589 175.900 0.006 0.000 1.167 450 Y CA 0.889 58.990 58.100 0.001 0.000 1.579 450 Y CB -1.425 37.033 38.460 -0.003 0.000 1.262 450 Y HN 2.528 10.808 8.280 -0.000 0.000 0.510 451 K N 0.694 121.100 120.400 0.011 0.000 4.387 451 K HA 0.246 4.565 4.320 -0.002 0.000 0.290 451 K C -0.176 176.439 176.600 0.024 0.000 0.936 451 K CA 1.083 57.379 56.287 0.015 0.000 0.890 451 K CB -2.020 30.485 32.500 0.008 0.000 1.617 451 K HN 2.825 11.075 8.250 -0.000 0.000 0.437 452 A N 1.768 124.613 122.820 0.042 0.000 2.745 452 A HA 0.659 4.978 4.320 -0.002 0.000 0.301 452 A C 0.948 178.603 177.584 0.118 0.000 1.188 452 A CA -0.110 51.973 52.037 0.077 0.000 0.746 452 A CB 0.623 19.664 19.000 0.069 0.000 1.207 452 A HN 0.880 9.030 8.150 -0.000 0.000 0.432 453 L N 1.302 122.573 121.223 0.080 0.000 2.313 453 L HA 0.265 4.604 4.340 -0.002 0.000 0.214 453 L C 1.279 178.186 176.870 0.062 0.000 1.119 453 L CA 1.119 55.993 54.840 0.057 0.000 0.809 453 L CB -0.143 41.920 42.059 0.006 0.000 0.933 453 L HN 0.756 8.986 8.230 -0.000 0.000 0.449 454 G N -1.234 107.633 108.800 0.112 0.000 2.523 454 G HA2 0.515 4.474 3.960 -0.002 0.000 0.291 454 G HA3 0.515 4.474 3.960 -0.002 0.000 0.291 454 G C -2.034 172.941 174.900 0.124 0.000 1.450 454 G CA -0.350 44.737 45.100 -0.022 0.000 0.790 454 G HN 0.025 8.315 8.290 -0.000 0.000 0.496 455 Y N -3.060 117.282 120.300 0.071 0.000 2.765 455 Y HA 0.730 5.279 4.550 -0.002 0.000 0.350 455 Y C -0.834 175.092 175.900 0.043 0.000 1.196 455 Y CA -1.308 56.827 58.100 0.059 0.000 1.119 455 Y CB 0.932 39.415 38.460 0.038 0.000 1.368 455 Y HN 0.573 8.853 8.280 -0.000 0.000 0.463 456 T N 3.417 118.087 114.554 0.193 0.000 2.892 456 T HA 0.503 4.852 4.350 -0.002 0.000 0.311 456 T C -0.677 174.058 174.700 0.059 0.000 1.033 456 T CA -0.604 61.529 62.100 0.054 0.000 0.991 456 T CB 0.412 69.272 68.868 -0.013 0.000 0.981 456 T HN 0.619 8.859 8.240 -0.000 0.000 0.457 457 L N 4.592 125.872 121.223 0.095 0.000 2.367 457 L HA 0.363 4.702 4.340 -0.002 0.000 0.275 457 L C 0.776 177.585 176.870 -0.101 0.000 1.129 457 L CA -0.560 54.338 54.840 0.097 0.000 0.839 457 L CB 0.275 42.457 42.059 0.205 0.000 1.133 457 L HN 0.540 8.770 8.230 -0.000 0.000 0.453 458 H N 3.437 122.559 119.070 0.087 0.000 2.502 458 H HA 0.359 4.914 4.556 -0.001 0.000 0.338 458 H C -0.749 174.585 175.328 0.010 0.000 1.155 458 H CA -0.836 55.251 56.048 0.064 0.000 1.237 458 H CB 2.847 32.626 29.762 0.028 0.000 1.534 458 H HN 0.271 8.551 8.280 -0.000 0.000 0.523 459 L N 4.666 125.952 121.223 0.104 0.000 2.337 459 L HA 0.337 4.676 4.340 -0.002 0.000 0.269 459 L C -2.490 174.387 176.870 0.012 0.000 1.018 459 L CA -1.867 52.955 54.840 -0.030 0.000 0.876 459 L CB 0.691 42.722 42.059 -0.047 0.000 1.236 459 L HN 0.357 8.587 8.230 -0.000 0.000 0.436 460 P HA 0.068 4.488 4.420 -0.000 0.000 0.272 460 P C -0.700 176.588 177.300 -0.021 0.000 1.243 460 P CA 0.241 63.333 63.100 -0.013 0.000 0.803 460 P CB 0.311 31.990 31.700 -0.034 0.000 0.974 461 E N -1.590 118.596 120.200 -0.023 0.000 3.068 461 E HA 0.120 4.469 4.350 -0.002 0.000 0.156 461 E C -0.306 176.280 176.600 -0.024 0.000 0.914 461 E CA -0.311 56.078 56.400 -0.019 0.000 1.393 461 E CB 0.035 29.732 29.700 -0.005 0.000 1.016 461 E HN 0.383 8.743 8.360 -0.000 0.000 0.434 462 E N -0.042 120.135 120.200 -0.039 0.000 3.605 462 E HA 0.339 4.688 4.350 -0.002 0.000 0.221 462 E C -0.621 175.937 176.600 -0.069 0.000 1.151 462 E CA -0.242 56.128 56.400 -0.050 0.000 0.821 462 E CB 0.130 29.791 29.700 -0.065 0.000 3.186 462 E HN -0.094 8.266 8.360 -0.000 0.000 0.565 463 D N 0.265 120.583 120.400 -0.137 0.000 3.035 463 D HA -0.036 4.603 4.640 -0.002 0.000 0.221 463 D C -1.406 174.643 176.300 -0.419 0.000 1.005 463 D CA 0.283 54.133 54.000 -0.251 0.000 0.906 463 D CB -0.758 39.987 40.800 -0.092 0.000 0.940 463 D HN 0.208 8.578 8.370 -0.000 0.000 0.422 464 K N 0.275 120.408 120.400 -0.445 0.000 2.138 464 K HA 0.482 4.801 4.320 -0.002 0.000 0.263 464 K C 0.499 176.768 176.600 -0.551 0.000 0.965 464 K CA -0.556 55.521 56.287 -0.350 0.000 0.868 464 K CB 1.092 33.499 32.500 -0.155 0.000 1.083 464 K HN 0.097 8.347 8.250 -0.000 0.000 0.443 465 Y N 0.791 121.092 120.300 0.002 0.000 2.453 465 Y HA 0.256 4.805 4.550 -0.002 0.000 0.247 465 Y C 0.058 175.959 175.900 0.003 0.000 1.124 465 Y CA -0.369 57.732 58.100 0.003 0.000 1.243 465 Y CB 0.678 39.140 38.460 0.003 0.000 1.213 465 Y HN 0.190 8.470 8.280 -0.000 0.000 0.523 466 L N 0.116 121.400 121.223 0.100 0.000 2.342 466 L HA 0.708 5.047 4.340 -0.002 0.000 0.271 466 L C -1.031 175.854 176.870 0.026 0.000 1.008 466 L CA -1.152 53.727 54.840 0.064 0.000 0.818 466 L CB 2.691 44.788 42.059 0.063 0.000 1.296 466 L HN -0.306 7.924 8.230 -0.000 0.000 0.427 467 V N 1.370 121.296 119.914 0.021 0.000 2.656 467 V HA 0.596 4.715 4.120 -0.002 0.000 0.307 467 V C -0.137 175.965 176.094 0.013 0.000 1.051 467 V CA -0.255 62.050 62.300 0.008 0.000 0.893 467 V CB 2.394 34.218 31.823 0.000 0.000 0.999 467 V HN 0.916 9.106 8.190 -0.000 0.000 0.426 468 S N 5.778 121.484 115.700 0.010 0.000 2.687 468 S HA 0.472 4.941 4.470 -0.002 0.000 0.283 468 S C 1.025 175.633 174.600 0.013 0.000 1.170 468 S CA -0.316 57.891 58.200 0.013 0.000 1.008 468 S CB 1.536 64.743 63.200 0.012 0.000 1.026 468 S HN 0.845 9.155 8.310 -0.000 0.000 0.541 469 R N 0.849 121.358 120.500 0.015 0.000 2.096 469 R HA -0.151 4.188 4.340 -0.002 0.000 0.240 469 R C 1.447 177.756 176.300 0.015 0.000 1.139 469 R CA 1.973 58.083 56.100 0.017 0.000 0.952 469 R CB -0.553 29.758 30.300 0.018 0.000 0.854 469 R HN 0.729 8.999 8.270 -0.000 0.000 0.436 470 N N 0.674 119.382 118.700 0.014 0.000 2.166 470 N HA -0.154 4.585 4.740 -0.002 0.000 0.186 470 N C 1.421 176.938 175.510 0.011 0.000 1.019 470 N CA 1.394 54.452 53.050 0.014 0.000 0.856 470 N CB -0.130 38.364 38.487 0.013 0.000 0.993 470 N HN 0.436 8.816 8.380 -0.000 0.000 0.426 471 E N 0.469 120.674 120.200 0.008 0.000 2.106 471 E HA -0.039 4.310 4.350 -0.002 0.000 0.192 471 E C 1.916 178.517 176.600 0.001 0.000 0.984 471 E CA 0.559 56.960 56.400 0.002 0.000 0.806 471 E CB -0.073 29.625 29.700 -0.003 0.000 0.750 471 E HN 0.299 8.659 8.360 -0.000 0.000 0.458 472 L N 0.571 121.797 121.223 0.005 0.000 2.156 472 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 472 L C 2.338 179.217 176.870 0.015 0.000 1.095 472 L CA 0.619 55.463 54.840 0.008 0.000 0.770 472 L CB -0.235 41.831 42.059 0.012 0.000 0.914 472 L HN 0.156 8.386 8.230 -0.000 0.000 0.439 473 L N -0.476 120.757 121.223 0.018 0.000 2.093 473 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 473 L C 2.078 178.963 176.870 0.025 0.000 1.085 473 L CA 0.975 55.829 54.840 0.024 0.000 0.755 473 L CB -0.459 41.614 42.059 0.023 0.000 0.904 473 L HN 0.261 8.491 8.230 -0.000 0.000 0.435 474 D N -0.100 120.311 120.400 0.018 0.000 2.149 474 D HA -0.179 4.460 4.640 -0.002 0.000 0.201 474 D C 2.086 178.397 176.300 0.018 0.000 0.972 474 D CA 0.992 55.003 54.000 0.018 0.000 0.835 474 D CB 0.041 40.848 40.800 0.012 0.000 0.966 474 D HN 0.226 8.596 8.370 -0.000 0.000 0.476 475 K N 0.458 120.862 120.400 0.007 0.000 2.155 475 K HA -0.030 4.289 4.320 -0.002 0.000 0.203 475 K C 2.137 178.751 176.600 0.024 0.000 1.052 475 K CA 0.395 56.679 56.287 -0.004 0.000 0.948 475 K CB -0.060 32.426 32.500 -0.024 0.000 0.728 475 K HN 0.098 8.348 8.250 -0.000 0.000 0.448 476 L N 0.939 122.182 121.223 0.033 0.000 2.027 476 L HA -0.157 4.183 4.340 -0.002 0.000 0.206 476 L C 2.086 179.000 176.870 0.073 0.000 1.074 476 L CA 1.613 56.484 54.840 0.050 0.000 0.745 476 L CB -0.379 41.706 42.059 0.044 0.000 0.898 476 L HN 0.290 8.520 8.230 -0.000 0.000 0.433 477 T N -0.117 114.476 114.554 0.066 0.000 2.652 477 T HA -0.243 4.106 4.350 -0.002 0.000 0.267 477 T C 1.871 176.622 174.700 0.085 0.000 1.039 477 T CA 1.437 63.581 62.100 0.073 0.000 1.153 477 T CB -0.432 68.466 68.868 0.050 0.000 0.863 477 T HN 0.519 8.759 8.240 -0.000 0.000 0.428 478 A N 1.237 124.107 122.820 0.084 0.000 1.908 478 A HA -0.051 4.268 4.320 -0.002 0.000 0.218 478 A C 2.190 179.916 177.584 0.236 0.000 1.181 478 A CA 1.218 53.334 52.037 0.130 0.000 0.627 478 A CB -0.809 18.256 19.000 0.108 0.000 0.818 478 A HN 0.357 8.507 8.150 -0.000 0.000 0.445 479 L N -0.650 120.687 121.223 0.189 0.000 2.275 479 L HA 0.023 4.362 4.340 -0.002 0.000 0.215 479 L C 1.923 178.951 176.870 0.264 0.000 1.119 479 L CA 1.313 56.303 54.840 0.250 0.000 0.790 479 L CB -0.612 41.528 42.059 0.134 0.000 0.919 479 L HN 0.413 8.643 8.230 -0.000 0.000 0.443 480 L N -1.984 119.339 121.223 0.167 0.000 2.607 480 L HA 0.150 4.489 4.340 -0.002 0.000 0.228 480 L C 2.231 179.136 176.870 0.058 0.000 1.123 480 L CA 0.405 55.339 54.840 0.155 0.000 0.890 480 L CB -0.606 41.599 42.059 0.244 0.000 1.103 480 L HN 0.252 8.482 8.230 -0.000 0.000 0.468 481 G N 0.494 109.261 108.800 -0.054 0.000 2.418 481 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.217 481 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.217 481 G C 1.576 176.217 174.900 -0.431 0.000 1.158 481 G CA 0.806 45.794 45.100 -0.186 0.000 0.771 481 G HN 0.447 8.737 8.290 -0.000 0.000 0.545 482 G N 0.770 108.969 108.800 -1.001 0.000 2.491 482 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.218 482 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.218 482 G C 1.875 176.429 174.900 -0.576 0.000 1.180 482 G CA 1.346 45.611 45.100 -1.392 0.000 0.774 482 G HN 0.508 8.798 8.290 -0.000 0.000 0.562 483 R N 0.911 121.303 120.500 -0.181 0.000 2.090 483 R HA 0.268 4.607 4.340 -0.002 0.000 0.228 483 R C 2.758 179.171 176.300 0.189 0.000 1.110 483 R CA 1.618 57.790 56.100 0.120 0.000 0.973 483 R CB -0.769 29.640 30.300 0.180 0.000 0.869 483 R HN 0.242 8.512 8.270 -0.000 0.000 0.440 484 A N 0.913 123.834 122.820 0.169 0.000 1.859 484 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 484 A C 2.459 180.022 177.584 -0.034 0.000 1.198 484 A CA 2.240 54.263 52.037 -0.023 0.000 0.629 484 A CB -1.473 17.434 19.000 -0.155 0.000 0.830 484 A HN 0.517 8.667 8.150 -0.000 0.000 0.446 485 A N -0.458 122.339 122.820 -0.038 0.000 1.927 485 A HA -0.270 4.049 4.320 -0.002 0.000 0.220 485 A C 1.927 179.551 177.584 0.068 0.000 1.185 485 A CA 2.035 54.076 52.037 0.007 0.000 0.639 485 A CB -0.699 18.331 19.000 0.049 0.000 0.820 485 A HN 0.704 8.854 8.150 -0.000 0.000 0.451 486 E N -0.975 119.320 120.200 0.158 0.000 2.051 486 E HA -0.217 4.132 4.350 -0.002 0.000 0.192 486 E C 2.139 178.870 176.600 0.218 0.000 0.991 486 E CA 1.229 57.806 56.400 0.295 0.000 0.799 486 E CB -0.175 29.683 29.700 0.263 0.000 0.748 486 E HN 0.834 9.194 8.360 -0.000 0.000 0.449 487 E N 0.679 120.965 120.200 0.144 0.000 2.031 487 E HA -0.182 4.167 4.350 -0.002 0.000 0.193 487 E C 2.170 178.785 176.600 0.026 0.000 0.994 487 E CA 1.185 57.651 56.400 0.110 0.000 0.800 487 E CB 0.148 29.933 29.700 0.141 0.000 0.752 487 E HN 0.025 8.385 8.360 -0.000 0.000 0.447 488 V N 0.353 120.247 119.914 -0.034 0.000 2.343 488 V HA -0.218 3.901 4.120 -0.002 0.000 0.247 488 V C 2.293 178.284 176.094 -0.172 0.000 1.051 488 V CA 1.417 63.660 62.300 -0.095 0.000 1.036 488 V CB -0.040 31.719 31.823 -0.106 0.000 0.654 488 V HN 0.224 8.414 8.190 -0.000 0.000 0.451 489 V N -1.497 118.247 119.914 -0.283 0.000 2.446 489 V HA -0.038 4.081 4.120 -0.002 0.000 0.244 489 V C 1.840 177.525 176.094 -0.682 0.000 1.039 489 V CA 1.799 63.724 62.300 -0.625 0.000 1.045 489 V CB -0.396 30.757 31.823 -1.116 0.000 0.681 489 V HN 0.507 8.697 8.190 -0.000 0.000 0.459 490 F N -0.348 119.520 119.950 -0.136 0.000 2.717 490 F HA 0.475 5.001 4.527 -0.002 0.000 0.297 490 F C 2.008 177.781 175.800 -0.045 0.000 1.113 490 F CA 0.771 58.719 58.000 -0.085 0.000 1.319 490 F CB 0.282 39.246 39.000 -0.060 0.000 1.097 490 F HN 0.233 8.533 8.300 -0.000 0.000 0.595 491 G N 0.003 108.870 108.800 0.112 0.000 2.507 491 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.240 491 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.240 491 G C 0.204 175.162 174.900 0.096 0.000 1.119 491 G CA 0.567 45.715 45.100 0.080 0.000 0.664 491 G HN 0.344 8.634 8.290 -0.000 0.000 0.516 492 D N 1.304 121.776 120.400 0.119 0.000 2.473 492 D HA 0.498 5.137 4.640 -0.002 0.000 0.226 492 D C 1.017 177.357 176.300 0.067 0.000 1.089 492 D CA 0.170 54.214 54.000 0.074 0.000 0.883 492 D CB 0.749 41.580 40.800 0.052 0.000 1.029 492 D HN 0.917 9.287 8.370 -0.000 0.000 0.517 493 V N 2.155 122.112 119.914 0.072 0.000 2.963 493 V HA 0.575 4.694 4.120 -0.002 0.000 0.306 493 V C 0.605 176.719 176.094 0.033 0.000 1.077 493 V CA -0.286 62.058 62.300 0.073 0.000 1.124 493 V CB 0.820 32.697 31.823 0.090 0.000 0.987 493 V HN 0.575 8.765 8.190 -0.000 0.000 0.487 494 T N 0.425 114.994 114.554 0.026 0.000 2.948 494 T HA 0.442 4.791 4.350 -0.002 0.000 0.285 494 T C 1.157 175.862 174.700 0.008 0.000 1.019 494 T CA 0.000 62.099 62.100 -0.003 0.000 1.013 494 T CB 1.298 70.144 68.868 -0.038 0.000 1.117 494 T HN 1.399 9.639 8.240 -0.000 0.000 0.533 495 S N -0.305 115.391 115.700 -0.006 0.000 2.500 495 S HA 0.034 4.503 4.470 -0.002 0.000 0.239 495 S C 2.279 176.875 174.600 -0.006 0.000 0.989 495 S CA 0.702 58.901 58.200 -0.003 0.000 0.951 495 S CB -1.336 61.859 63.200 -0.008 0.000 0.759 495 S HN 1.082 9.392 8.310 -0.000 0.000 0.523 496 G N 1.767 110.550 108.800 -0.028 0.000 2.507 496 G HA2 -0.064 3.895 3.960 -0.002 0.000 0.221 496 G HA3 -0.064 3.895 3.960 -0.002 0.000 0.221 496 G C 1.364 176.242 174.900 -0.036 0.000 1.119 496 G CA 0.699 45.753 45.100 -0.077 0.000 0.751 496 G HN 0.850 9.140 8.290 -0.000 0.000 0.574 497 A N 0.338 123.195 122.820 0.063 0.000 2.278 497 A HA 0.665 4.984 4.320 -0.002 0.000 0.212 497 A C 2.467 180.117 177.584 0.109 0.000 1.213 497 A CA 1.260 53.403 52.037 0.176 0.000 0.840 497 A CB -0.290 18.867 19.000 0.262 0.000 0.866 497 A HN 0.626 8.776 8.150 -0.000 0.000 0.489 498 A N 1.492 124.347 122.820 0.058 0.000 1.884 498 A HA -0.306 4.013 4.320 -0.002 0.000 0.219 498 A C 1.954 179.566 177.584 0.047 0.000 1.197 498 A CA 2.229 54.289 52.037 0.039 0.000 0.637 498 A CB -0.771 18.242 19.000 0.022 0.000 0.827 498 A HN 0.676 8.826 8.150 -0.000 0.000 0.450 499 N N -0.279 118.453 118.700 0.055 0.000 2.166 499 N HA -0.164 4.575 4.740 -0.002 0.000 0.186 499 N C 1.184 176.740 175.510 0.077 0.000 1.019 499 N CA 1.782 54.866 53.050 0.056 0.000 0.856 499 N CB -0.265 38.253 38.487 0.052 0.000 0.993 499 N HN 0.424 8.804 8.380 -0.000 0.000 0.426 500 D N 0.137 120.610 120.400 0.122 0.000 2.123 500 D HA -0.132 4.507 4.640 -0.002 0.000 0.196 500 D C 1.909 178.268 176.300 0.098 0.000 0.992 500 D CA 0.926 55.016 54.000 0.151 0.000 0.833 500 D CB -0.195 40.759 40.800 0.256 0.000 0.954 500 D HN 0.436 8.806 8.370 -0.000 0.000 0.455 501 I N 0.640 121.253 120.570 0.072 0.000 2.286 501 I HA -0.189 3.981 4.170 -0.002 0.000 0.245 501 I C 2.442 178.573 176.117 0.023 0.000 1.104 501 I CA 0.838 62.156 61.300 0.030 0.000 1.397 501 I CB -0.017 37.985 38.000 0.003 0.000 1.072 501 I HN -0.036 8.174 8.210 -0.000 0.000 0.417 502 E N 1.044 121.261 120.200 0.028 0.000 2.077 502 E HA -0.242 4.107 4.350 -0.002 0.000 0.193 502 E C 2.335 178.951 176.600 0.027 0.000 0.989 502 E CA 1.173 57.587 56.400 0.023 0.000 0.800 502 E CB 0.091 29.805 29.700 0.023 0.000 0.746 502 E HN 0.333 8.693 8.360 -0.000 0.000 0.452 503 R N -0.094 120.427 120.500 0.036 0.000 2.096 503 R HA -0.082 4.258 4.340 -0.002 0.000 0.235 503 R C 2.351 178.670 176.300 0.033 0.000 1.127 503 R CA 1.172 57.292 56.100 0.034 0.000 0.968 503 R CB -0.223 30.099 30.300 0.038 0.000 0.861 503 R HN 0.174 8.444 8.270 -0.000 0.000 0.440 504 A N 0.157 123.001 122.820 0.039 0.000 1.897 504 A HA -0.103 4.216 4.320 -0.002 0.000 0.215 504 A C 2.110 179.710 177.584 0.026 0.000 1.181 504 A CA 1.665 53.724 52.037 0.037 0.000 0.620 504 A CB -0.694 18.333 19.000 0.044 0.000 0.821 504 A HN 0.242 8.392 8.150 -0.000 0.000 0.443 505 T N -0.282 114.283 114.554 0.018 0.000 2.788 505 T HA -0.159 4.190 4.350 -0.002 0.000 0.268 505 T C 1.829 176.541 174.700 0.020 0.000 1.044 505 T CA 1.548 63.656 62.100 0.014 0.000 1.139 505 T CB -0.200 68.672 68.868 0.008 0.000 0.867 505 T HN 0.724 8.964 8.240 -0.000 0.000 0.454 506 E N 0.785 120.999 120.200 0.023 0.000 2.047 506 E HA -0.106 4.243 4.350 -0.002 0.000 0.191 506 E C 2.176 178.792 176.600 0.027 0.000 0.987 506 E CA 0.946 57.361 56.400 0.025 0.000 0.799 506 E CB -0.252 29.463 29.700 0.024 0.000 0.752 506 E HN 0.483 8.843 8.360 -0.000 0.000 0.449 507 I N 1.404 121.989 120.570 0.025 0.000 2.151 507 I HA -0.326 3.843 4.170 -0.002 0.000 0.243 507 I C 2.692 178.825 176.117 0.027 0.000 1.080 507 I CA 1.331 62.646 61.300 0.025 0.000 1.339 507 I CB -0.471 37.543 38.000 0.022 0.000 1.039 507 I HN 0.216 8.426 8.210 -0.000 0.000 0.409 508 A N 0.684 123.519 122.820 0.026 0.000 1.902 508 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 508 A C 2.413 180.013 177.584 0.027 0.000 1.181 508 A CA 1.493 53.545 52.037 0.024 0.000 0.623 508 A CB -0.578 18.434 19.000 0.020 0.000 0.818 508 A HN 0.331 8.481 8.150 -0.000 0.000 0.443 509 R N -0.927 119.591 120.500 0.029 0.000 2.096 509 R HA -0.147 4.192 4.340 -0.002 0.000 0.235 509 R C 2.098 178.429 176.300 0.051 0.000 1.127 509 R CA 1.590 57.713 56.100 0.038 0.000 0.968 509 R CB -0.395 29.930 30.300 0.042 0.000 0.861 509 R HN 0.664 8.934 8.270 -0.000 0.000 0.440 510 N N 0.510 119.237 118.700 0.046 0.000 2.171 510 N HA -0.063 4.676 4.740 -0.002 0.000 0.184 510 N C 1.765 177.306 175.510 0.050 0.000 1.021 510 N CA 1.013 54.093 53.050 0.050 0.000 0.854 510 N CB 0.064 38.574 38.487 0.039 0.000 0.994 510 N HN 0.060 8.440 8.380 -0.000 0.000 0.426 511 M N -0.728 118.898 119.600 0.042 0.000 2.149 511 M HA -0.152 4.327 4.480 -0.002 0.000 0.261 511 M C 1.680 178.012 176.300 0.055 0.000 1.064 511 M CA 1.145 56.470 55.300 0.041 0.000 1.102 511 M CB -0.061 32.559 32.600 0.033 0.000 1.369 511 M HN 0.050 8.340 8.290 -0.000 0.000 0.408 512 V N -1.571 118.378 119.914 0.058 0.000 2.599 512 V HA -0.162 3.958 4.120 -0.002 0.000 0.245 512 V C 1.914 178.090 176.094 0.136 0.000 1.046 512 V CA 1.215 63.558 62.300 0.071 0.000 1.065 512 V CB 0.156 31.997 31.823 0.029 0.000 0.703 512 V HN 0.555 8.745 8.190 -0.000 0.000 0.464 513 C N -1.155 118.223 119.300 0.130 0.000 2.674 513 C HA 0.141 4.600 4.460 -0.002 0.000 0.276 513 C C 2.435 177.515 174.990 0.151 0.000 1.300 513 C CA 0.092 59.228 59.018 0.198 0.000 1.732 513 C CB 0.013 27.858 27.740 0.176 0.000 2.076 513 C HN 0.535 8.765 8.230 -0.000 0.000 0.548 514 Q N -0.232 119.624 119.800 0.093 0.000 2.477 514 Q HA 0.327 4.666 4.340 -0.002 0.000 0.252 514 Q C 1.704 177.724 176.000 0.034 0.000 0.869 514 Q CA 0.548 56.384 55.803 0.054 0.000 0.969 514 Q CB 0.096 28.862 28.738 0.048 0.000 1.144 514 Q HN 0.482 8.752 8.270 -0.000 0.000 0.577 515 L N -0.658 120.590 121.223 0.042 0.000 2.567 515 L HA 0.348 4.687 4.340 -0.002 0.000 0.225 515 L C 0.632 177.520 176.870 0.030 0.000 1.119 515 L CA 0.392 55.250 54.840 0.030 0.000 0.871 515 L CB -0.119 41.958 42.059 0.030 0.000 1.036 515 L HN 0.375 8.605 8.230 -0.000 0.000 0.459 516 G N 1.045 109.871 108.800 0.044 0.000 2.295 516 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.287 516 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.287 516 G C 0.440 175.368 174.900 0.046 0.000 1.055 516 G CA 0.312 45.440 45.100 0.047 0.000 0.922 516 G HN 0.385 8.675 8.290 -0.000 0.000 0.503 517 M N 0.705 120.335 119.600 0.050 0.000 2.475 517 M HA 0.223 4.702 4.480 -0.002 0.000 0.283 517 M C 1.043 177.366 176.300 0.038 0.000 1.165 517 M CA 0.538 55.861 55.300 0.039 0.000 0.976 517 M CB 0.671 33.290 32.600 0.033 0.000 1.428 517 M HN 0.525 8.815 8.290 -0.000 0.000 0.495 518 S N -1.235 114.494 115.700 0.048 0.000 2.532 518 S HA 0.332 4.801 4.470 -0.002 0.000 0.301 518 S C 0.453 175.078 174.600 0.041 0.000 1.083 518 S CA -0.720 57.503 58.200 0.038 0.000 1.025 518 S CB 2.331 65.548 63.200 0.029 0.000 1.056 518 S HN 0.344 8.654 8.310 -0.000 0.000 0.494 519 E N 1.497 121.715 120.200 0.029 0.000 2.107 519 E HA -0.093 4.256 4.350 -0.002 0.000 0.191 519 E C 1.421 178.040 176.600 0.032 0.000 0.982 519 E CA 1.109 57.527 56.400 0.029 0.000 0.809 519 E CB -0.073 29.640 29.700 0.020 0.000 0.756 519 E HN 0.721 9.081 8.360 -0.000 0.000 0.459 520 E N 0.351 120.563 120.200 0.019 0.000 2.077 520 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 520 E C 2.085 178.704 176.600 0.032 0.000 0.989 520 E CA 0.943 57.349 56.400 0.009 0.000 0.800 520 E CB -0.079 29.609 29.700 -0.020 0.000 0.746 520 E HN 0.403 8.763 8.360 -0.000 0.000 0.452 521 L N -0.582 120.674 121.223 0.056 0.000 2.477 521 L HA 0.121 4.460 4.340 -0.002 0.000 0.220 521 L C 1.095 178.127 176.870 0.270 0.000 1.106 521 L CA 0.382 55.304 54.840 0.137 0.000 0.851 521 L CB -0.011 42.102 42.059 0.089 0.000 0.994 521 L HN 0.161 8.391 8.230 -0.000 0.000 0.462 522 G N 0.795 109.689 108.800 0.157 0.000 2.796 522 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.571 522 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.571 522 G C -2.539 172.418 174.900 0.096 0.000 1.370 522 G CA -0.575 44.595 45.100 0.117 0.000 0.856 522 G HN 0.028 8.318 8.290 -0.000 0.000 0.538 523 P HA 0.389 4.809 4.420 -0.000 0.000 0.220 523 P C -0.370 176.888 177.300 -0.071 0.000 1.806 523 P CA 0.033 63.131 63.100 -0.004 0.000 0.976 523 P CB -0.015 31.681 31.700 -0.007 0.000 1.952 524 L N 0.905 122.055 121.223 -0.121 0.000 2.362 524 L HA 0.589 4.928 4.340 -0.002 0.000 0.271 524 L C 0.416 177.026 176.870 -0.434 0.000 1.002 524 L CA -0.991 53.616 54.840 -0.388 0.000 0.818 524 L CB 2.285 43.902 42.059 -0.736 0.000 1.298 524 L HN 0.054 8.284 8.230 -0.000 0.000 0.420 525 A N 3.055 125.629 122.820 -0.409 0.000 2.415 525 A HA 0.368 4.688 4.320 -0.002 0.000 0.309 525 A C -1.081 176.304 177.584 -0.331 0.000 1.356 525 A CA -0.349 51.540 52.037 -0.246 0.000 0.998 525 A CB -0.481 18.438 19.000 -0.136 0.000 1.145 525 A HN 0.620 8.770 8.150 -0.000 0.000 0.545 526 W N 2.462 123.788 121.300 0.043 0.000 2.358 526 W HA 0.516 5.180 4.660 0.006 0.000 0.307 526 W C 0.857 177.513 176.519 0.229 0.000 1.203 526 W CA 1.172 58.579 57.345 0.103 0.000 1.279 526 W CB 1.019 30.415 29.460 -0.108 0.000 1.264 526 W HN 1.327 9.507 8.180 -0.000 0.000 0.474 527 G N 2.432 111.517 108.800 0.475 0.000 2.541 527 G HA2 0.159 4.118 3.960 -0.002 0.000 0.686 527 G HA3 0.159 4.118 3.960 -0.002 0.000 0.686 527 G C -0.484 174.495 174.900 0.132 0.000 1.286 527 G CA -0.951 44.323 45.100 0.291 0.000 0.894 527 G HN 0.406 8.696 8.290 -0.000 0.000 0.575 542 L N -0.550 120.665 121.223 -0.014 0.000 3.333 542 L HA -0.197 4.142 4.340 -0.002 0.000 0.334 542 L C 0.408 177.235 176.870 -0.071 0.000 1.110 542 L CA 1.436 56.258 54.840 -0.030 0.000 1.246 542 L CB -0.220 41.816 42.059 -0.038 0.000 1.205 542 L HN 0.873 9.103 8.230 -0.000 0.000 0.505 543 R N 2.233 122.647 120.500 -0.144 0.000 2.486 543 R HA -0.022 4.317 4.340 -0.002 0.000 0.303 543 R C 0.207 176.295 176.300 -0.353 0.000 0.958 543 R CA 0.972 56.844 56.100 -0.381 0.000 1.077 543 R CB -0.086 29.920 30.300 -0.489 0.000 0.921 543 R HN 0.614 8.884 8.270 -0.000 0.000 0.406 544 N N 4.118 122.600 118.700 -0.363 0.000 2.646 544 N HA 0.073 4.812 4.740 -0.002 0.000 0.296 544 N C -1.918 173.618 175.510 0.044 0.000 1.886 544 N CA -0.679 52.305 53.050 -0.111 0.000 0.855 544 N CB 0.209 38.692 38.487 -0.006 0.000 1.336 544 N HN 0.520 8.900 8.380 -0.000 0.000 0.496 545 Y N -2.061 118.307 120.300 0.113 0.000 2.609 545 Y HA 0.741 5.288 4.550 -0.006 0.000 0.336 545 Y C 0.040 175.971 175.900 0.052 0.000 1.129 545 Y CA -1.771 56.410 58.100 0.135 0.000 1.040 545 Y CB 0.090 38.687 38.460 0.229 0.000 1.310 545 Y HN 0.085 8.365 8.280 -0.000 0.000 0.460 546 S N -0.182 115.692 115.700 0.290 0.000 2.587 546 S HA 0.073 4.542 4.470 -0.002 0.000 0.260 546 S C 0.921 175.613 174.600 0.154 0.000 1.353 546 S CA 0.386 58.679 58.200 0.154 0.000 0.995 546 S CB 1.089 64.341 63.200 0.087 0.000 0.912 546 S HN 0.910 9.220 8.310 -0.000 0.000 0.568 547 E N 0.443 120.691 120.200 0.079 0.000 2.204 547 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 547 E C 1.833 178.437 176.600 0.005 0.000 0.989 547 E CA 1.749 58.181 56.400 0.053 0.000 0.824 547 E CB -0.333 29.384 29.700 0.029 0.000 0.756 547 E HN 0.848 9.208 8.360 -0.000 0.000 0.477 548 E N -0.528 119.662 120.200 -0.016 0.000 2.047 548 E HA -0.143 4.206 4.350 -0.002 0.000 0.191 548 E C 1.947 178.463 176.600 -0.140 0.000 0.987 548 E CA 1.428 57.791 56.400 -0.060 0.000 0.799 548 E CB -0.007 29.666 29.700 -0.046 0.000 0.752 548 E HN 0.208 8.568 8.360 -0.000 0.000 0.449 549 V N 1.218 121.011 119.914 -0.202 0.000 2.407 549 V HA -0.255 3.864 4.120 -0.002 0.000 0.248 549 V C 2.437 178.246 176.094 -0.474 0.000 1.055 549 V CA 1.715 63.736 62.300 -0.465 0.000 1.049 549 V CB -0.670 30.718 31.823 -0.726 0.000 0.662 549 V HN 0.477 8.667 8.190 -0.000 0.000 0.455 550 A N 0.646 123.333 122.820 -0.223 0.000 1.940 550 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 550 A C 2.522 180.035 177.584 -0.118 0.000 1.176 550 A CA 2.500 54.481 52.037 -0.093 0.000 0.631 550 A CB -0.693 18.403 19.000 0.160 0.000 0.814 550 A HN 0.705 8.855 8.150 -0.000 0.000 0.446 551 S N -0.568 115.069 115.700 -0.105 0.000 2.414 551 S HA -0.057 4.412 4.470 -0.002 0.000 0.227 551 S C 1.820 176.348 174.600 -0.120 0.000 1.022 551 S CA 1.103 59.251 58.200 -0.086 0.000 0.958 551 S CB -0.254 62.912 63.200 -0.057 0.000 0.797 551 S HN 0.586 8.896 8.310 -0.000 0.000 0.493 552 K N 1.084 121.378 120.400 -0.178 0.000 2.057 552 K HA 0.062 4.381 4.320 -0.002 0.000 0.207 552 K C 2.017 178.494 176.600 -0.205 0.000 1.049 552 K CA 1.560 57.732 56.287 -0.192 0.000 0.931 552 K CB -0.482 31.873 32.500 -0.242 0.000 0.714 552 K HN 0.416 8.666 8.250 -0.000 0.000 0.440 553 I N 1.557 121.958 120.570 -0.281 0.000 2.127 553 I HA -0.327 3.842 4.170 -0.002 0.000 0.241 553 I C 1.817 177.863 176.117 -0.118 0.000 1.075 553 I CA 1.356 62.518 61.300 -0.231 0.000 1.334 553 I CB -0.366 37.456 38.000 -0.297 0.000 1.040 553 I HN 0.154 8.364 8.210 -0.000 0.000 0.405 554 D N 0.480 120.824 120.400 -0.093 0.000 2.104 554 D HA -0.230 4.409 4.640 -0.002 0.000 0.194 554 D C 2.033 178.306 176.300 -0.045 0.000 0.994 554 D CA 1.243 55.213 54.000 -0.050 0.000 0.830 554 D CB -0.318 40.461 40.800 -0.036 0.000 0.959 554 D HN 0.391 8.761 8.370 -0.000 0.000 0.452 555 E N 0.293 120.459 120.200 -0.057 0.000 2.085 555 E HA -0.192 4.157 4.350 -0.002 0.000 0.194 555 E C 1.768 178.345 176.600 -0.039 0.000 0.994 555 E CA 0.920 57.293 56.400 -0.045 0.000 0.801 555 E CB 0.249 29.918 29.700 -0.053 0.000 0.743 555 E HN 0.157 8.517 8.360 -0.000 0.000 0.453 556 E N -0.020 120.149 120.200 -0.052 0.000 2.107 556 E HA -0.111 4.238 4.350 -0.002 0.000 0.191 556 E C 2.252 178.840 176.600 -0.020 0.000 0.982 556 E CA 0.532 56.910 56.400 -0.036 0.000 0.809 556 E CB -0.098 29.574 29.700 -0.047 0.000 0.756 556 E HN 0.168 8.528 8.360 -0.000 0.000 0.459 557 V N 1.718 121.618 119.914 -0.023 0.000 2.261 557 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 557 V C 2.584 178.675 176.094 -0.005 0.000 1.047 557 V CA 2.060 64.355 62.300 -0.009 0.000 1.015 557 V CB -0.419 31.398 31.823 -0.010 0.000 0.642 557 V HN 0.222 8.412 8.190 -0.000 0.000 0.446 558 K N 0.312 120.706 120.400 -0.010 0.000 2.063 558 K HA -0.273 4.046 4.320 -0.002 0.000 0.208 558 K C 2.276 178.878 176.600 0.003 0.000 1.048 558 K CA 2.111 58.394 56.287 -0.007 0.000 0.928 558 K CB -0.210 32.284 32.500 -0.010 0.000 0.713 558 K HN 0.448 8.698 8.250 -0.000 0.000 0.442 559 K N 0.704 121.105 120.400 0.002 0.000 2.062 559 K HA -0.097 4.222 4.320 -0.002 0.000 0.205 559 K C 2.028 178.639 176.600 0.020 0.000 1.051 559 K CA 1.253 57.547 56.287 0.010 0.000 0.941 559 K CB -0.104 32.397 32.500 0.002 0.000 0.719 559 K HN 0.160 8.410 8.250 -0.000 0.000 0.440 560 I N 1.294 121.874 120.570 0.017 0.000 2.163 560 I HA -0.288 3.881 4.170 -0.002 0.000 0.243 560 I C 2.281 178.420 176.117 0.036 0.000 1.085 560 I CA 1.143 62.458 61.300 0.025 0.000 1.347 560 I CB -0.210 37.802 38.000 0.021 0.000 1.044 560 I HN -0.009 8.201 8.210 -0.000 0.000 0.408 561 V N 0.110 120.042 119.914 0.030 0.000 2.358 561 V HA -0.241 3.878 4.120 -0.002 0.000 0.246 561 V C 2.473 178.608 176.094 0.068 0.000 1.047 561 V CA 2.312 64.634 62.300 0.037 0.000 1.035 561 V CB -0.951 30.877 31.823 0.009 0.000 0.658 561 V HN 0.449 8.639 8.190 -0.000 0.000 0.452 562 T N 0.664 115.255 114.554 0.061 0.000 2.720 562 T HA -0.174 4.176 4.350 -0.002 0.000 0.268 562 T C 1.850 176.625 174.700 0.125 0.000 1.037 562 T CA 1.763 63.924 62.100 0.103 0.000 1.144 562 T CB -0.378 68.529 68.868 0.066 0.000 0.864 562 T HN 0.448 8.688 8.240 -0.000 0.000 0.444 563 N N 0.805 119.552 118.700 0.079 0.000 2.142 563 N HA -0.057 4.682 4.740 -0.002 0.000 0.186 563 N C 2.042 177.596 175.510 0.074 0.000 1.023 563 N CA 0.911 53.999 53.050 0.064 0.000 0.852 563 N CB -0.863 37.649 38.487 0.042 0.000 0.998 563 N HN 0.422 8.802 8.380 -0.000 0.000 0.424 564 C N 0.075 119.426 119.300 0.086 0.000 2.435 564 C HA -0.057 4.402 4.460 -0.002 0.000 0.279 564 C C 2.467 177.534 174.990 0.128 0.000 1.321 564 C CA -0.214 58.857 59.018 0.088 0.000 1.752 564 C CB -1.315 26.474 27.740 0.082 0.000 1.959 564 C HN 0.389 8.619 8.230 -0.000 0.000 0.500 565 Y N 2.255 122.562 120.300 0.013 0.000 2.114 565 Y HA -0.138 4.411 4.550 -0.001 0.000 0.284 565 Y C 2.469 178.374 175.900 0.008 0.000 1.143 565 Y CA 1.746 59.852 58.100 0.010 0.000 1.135 565 Y CB -0.455 38.011 38.460 0.011 0.000 0.980 565 Y HN 0.230 8.510 8.280 -0.000 0.000 0.499 566 E N 0.295 120.490 120.200 -0.008 0.000 2.085 566 E HA -0.253 4.096 4.350 -0.002 0.000 0.194 566 E C 2.365 178.911 176.600 -0.090 0.000 0.994 566 E CA 1.385 57.727 56.400 -0.097 0.000 0.801 566 E CB -0.490 29.202 29.700 -0.013 0.000 0.743 566 E HN 0.491 8.851 8.360 -0.000 0.000 0.453 567 R N 0.586 121.068 120.500 -0.030 0.000 2.096 567 R HA -0.112 4.227 4.340 -0.002 0.000 0.235 567 R C 2.163 178.442 176.300 -0.035 0.000 1.127 567 R CA 1.437 57.527 56.100 -0.017 0.000 0.968 567 R CB -0.144 30.164 30.300 0.012 0.000 0.861 567 R HN 0.130 8.400 8.270 -0.000 0.000 0.440 568 A N 1.292 124.078 122.820 -0.057 0.000 1.873 568 A HA -0.144 4.175 4.320 -0.002 0.000 0.215 568 A C 1.976 179.484 177.584 -0.127 0.000 1.186 568 A CA 1.533 53.527 52.037 -0.072 0.000 0.616 568 A CB -0.339 18.634 19.000 -0.046 0.000 0.823 568 A HN 0.349 8.499 8.150 -0.000 0.000 0.442 569 K N -0.456 119.796 120.400 -0.247 0.000 2.152 569 K HA -0.152 4.167 4.320 -0.002 0.000 0.206 569 K C 1.866 178.399 176.600 -0.112 0.000 1.048 569 K CA 1.376 57.528 56.287 -0.225 0.000 0.933 569 K CB -0.098 32.203 32.500 -0.332 0.000 0.721 569 K HN 0.378 8.628 8.250 -0.000 0.000 0.447 570 E N 0.841 120.992 120.200 -0.081 0.000 2.106 570 E HA -0.110 4.239 4.350 -0.002 0.000 0.192 570 E C 2.035 178.644 176.600 0.016 0.000 0.984 570 E CA 0.853 57.233 56.400 -0.034 0.000 0.806 570 E CB -0.185 29.500 29.700 -0.024 0.000 0.750 570 E HN 0.321 8.681 8.360 -0.000 0.000 0.458 571 I N 1.009 121.603 120.570 0.040 0.000 2.208 571 I HA -0.271 3.898 4.170 -0.002 0.000 0.245 571 I C 2.102 178.311 176.117 0.154 0.000 1.097 571 I CA 0.677 62.057 61.300 0.134 0.000 1.363 571 I CB -0.210 37.835 38.000 0.076 0.000 1.051 571 I HN 0.071 8.281 8.210 -0.000 0.000 0.413 572 I N 0.659 121.259 120.570 0.049 0.000 2.163 572 I HA -0.289 3.880 4.170 -0.002 0.000 0.243 572 I C 2.624 178.765 176.117 0.039 0.000 1.085 572 I CA 1.710 63.035 61.300 0.040 0.000 1.347 572 I CB -1.442 36.545 38.000 -0.022 0.000 1.044 572 I HN 0.289 8.499 8.210 -0.000 0.000 0.408 573 R N 0.561 121.059 120.500 -0.002 0.000 2.096 573 R HA -0.179 4.160 4.340 -0.002 0.000 0.235 573 R C 2.254 178.536 176.300 -0.030 0.000 1.127 573 R CA 1.217 57.302 56.100 -0.026 0.000 0.968 573 R CB -0.331 29.942 30.300 -0.045 0.000 0.861 573 R HN 0.396 8.666 8.270 -0.000 0.000 0.440 574 K N 0.067 120.450 120.400 -0.029 0.000 2.167 574 K HA -0.104 4.215 4.320 -0.002 0.000 0.203 574 K C 0.397 176.836 176.600 -0.269 0.000 1.052 574 K CA 1.100 57.296 56.287 -0.151 0.000 0.956 574 K CB 0.237 32.632 32.500 -0.176 0.000 0.735 574 K HN 0.150 8.400 8.250 -0.000 0.000 0.451 575 Y N 0.112 120.403 120.300 -0.015 0.000 2.751 575 Y HA 0.205 4.754 4.550 -0.002 0.000 0.289 575 Y C 1.340 177.239 175.900 -0.001 0.000 1.110 575 Y CA -0.586 57.509 58.100 -0.007 0.000 1.251 575 Y CB 0.550 39.008 38.460 -0.004 0.000 1.178 575 Y HN -0.012 8.268 8.280 -0.000 0.000 0.540 576 R N 1.325 121.871 120.500 0.078 0.000 2.103 576 R HA -0.182 4.157 4.340 -0.002 0.000 0.242 576 R C 1.529 177.868 176.300 0.066 0.000 1.142 576 R CA 1.910 58.045 56.100 0.058 0.000 0.960 576 R CB -0.012 30.291 30.300 0.005 0.000 0.858 576 R HN 0.302 8.572 8.270 -0.000 0.000 0.439 577 K N 0.153 120.578 120.400 0.043 0.000 2.001 577 K HA -0.136 4.183 4.320 -0.002 0.000 0.208 577 K C 2.062 178.695 176.600 0.055 0.000 1.048 577 K CA 1.521 57.830 56.287 0.037 0.000 0.932 577 K CB -0.238 32.270 32.500 0.014 0.000 0.715 577 K HN 0.287 8.537 8.250 -0.000 0.000 0.437 578 Q N 1.520 121.368 119.800 0.081 0.000 2.124 578 Q HA -0.180 4.159 4.340 -0.002 0.000 0.202 578 Q C 2.237 178.274 176.000 0.061 0.000 0.977 578 Q CA 1.302 57.152 55.803 0.078 0.000 0.850 578 Q CB -0.797 28.012 28.738 0.118 0.000 0.901 578 Q HN 0.305 8.575 8.270 -0.000 0.000 0.429 579 L N 2.090 123.366 121.223 0.088 0.000 2.012 579 L HA -0.210 4.129 4.340 -0.002 0.000 0.210 579 L C 1.645 178.539 176.870 0.039 0.000 1.073 579 L CA 2.313 57.197 54.840 0.073 0.000 0.748 579 L CB -0.633 41.506 42.059 0.133 0.000 0.891 579 L HN -0.010 8.220 8.230 -0.000 0.000 0.431 580 D N -0.161 120.294 120.400 0.092 0.000 2.149 580 D HA -0.207 4.433 4.640 -0.002 0.000 0.194 580 D C 1.929 178.220 176.300 -0.014 0.000 1.001 580 D CA 1.480 55.521 54.000 0.069 0.000 0.849 580 D CB -0.399 40.453 40.800 0.087 0.000 0.939 580 D HN 0.449 8.819 8.370 -0.000 0.000 0.449 581 N N 0.440 119.137 118.700 -0.005 0.000 2.084 581 N HA -0.078 4.661 4.740 -0.002 0.000 0.190 581 N C 2.163 177.645 175.510 -0.048 0.000 1.030 581 N CA 0.425 53.464 53.050 -0.018 0.000 0.849 581 N CB -0.393 38.092 38.487 -0.004 0.000 1.012 581 N HN 0.281 8.661 8.380 -0.000 0.000 0.423 582 I N 0.770 121.307 120.570 -0.055 0.000 2.208 582 I HA -0.212 3.957 4.170 -0.002 0.000 0.245 582 I C 2.274 178.312 176.117 -0.131 0.000 1.097 582 I CA 0.970 62.223 61.300 -0.079 0.000 1.363 582 I CB -0.234 37.727 38.000 -0.066 0.000 1.051 582 I HN 0.024 8.234 8.210 -0.000 0.000 0.413 583 V N -0.756 119.026 119.914 -0.220 0.000 2.871 583 V HA -0.163 3.956 4.120 -0.002 0.000 0.256 583 V C 2.138 178.121 176.094 -0.185 0.000 1.082 583 V CA 1.757 63.874 62.300 -0.305 0.000 1.105 583 V CB -0.299 31.090 31.823 -0.724 0.000 0.713 583 V HN 0.540 8.730 8.190 -0.000 0.000 0.473 584 E N 0.397 120.522 120.200 -0.126 0.000 2.046 584 E HA -0.174 4.175 4.350 -0.002 0.000 0.190 584 E C 2.109 178.676 176.600 -0.054 0.000 0.982 584 E CA 1.945 58.306 56.400 -0.066 0.000 0.800 584 E CB -0.292 29.386 29.700 -0.037 0.000 0.756 584 E HN 0.707 9.067 8.360 -0.000 0.000 0.449 585 I N 0.678 121.214 120.570 -0.057 0.000 2.226 585 I HA -0.249 3.920 4.170 -0.002 0.000 0.245 585 I C 2.421 178.506 176.117 -0.053 0.000 1.100 585 I CA 0.458 61.729 61.300 -0.048 0.000 1.374 585 I CB -0.156 37.816 38.000 -0.047 0.000 1.057 585 I HN 0.238 8.448 8.210 -0.000 0.000 0.413 586 L N 0.349 121.529 121.223 -0.071 0.000 2.083 586 L HA -0.171 4.168 4.340 -0.002 0.000 0.209 586 L C 2.258 179.092 176.870 -0.060 0.000 1.083 586 L CA 1.804 56.600 54.840 -0.074 0.000 0.752 586 L CB -0.584 41.418 42.059 -0.096 0.000 0.899 586 L HN 0.177 8.407 8.230 -0.000 0.000 0.433 587 L N -1.146 120.042 121.223 -0.058 0.000 2.201 587 L HA -0.179 4.160 4.340 -0.002 0.000 0.212 587 L C 2.434 179.289 176.870 -0.025 0.000 1.105 587 L CA 1.178 55.996 54.840 -0.036 0.000 0.775 587 L CB -0.293 41.751 42.059 -0.026 0.000 0.913 587 L HN 0.418 8.648 8.230 -0.000 0.000 0.440 588 E N 0.479 120.663 120.200 -0.027 0.000 2.060 588 E HA -0.145 4.204 4.350 -0.002 0.000 0.189 588 E C 1.798 178.386 176.600 -0.020 0.000 0.974 588 E CA 0.781 57.170 56.400 -0.019 0.000 0.808 588 E CB 0.295 29.984 29.700 -0.018 0.000 0.768 588 E HN 0.349 8.709 8.360 -0.000 0.000 0.453 589 K N -0.388 119.996 120.400 -0.027 0.000 2.354 589 K HA 0.120 4.439 4.320 -0.002 0.000 0.194 589 K C 0.268 176.849 176.600 -0.031 0.000 1.045 589 K CA 0.481 56.752 56.287 -0.027 0.000 1.026 589 K CB 0.685 33.167 32.500 -0.029 0.000 0.866 589 K HN 0.082 8.332 8.250 -0.000 0.000 0.530 590 E N -0.463 119.713 120.200 -0.040 0.000 4.005 590 E HA -0.194 4.155 4.350 -0.002 0.000 0.349 590 E C -0.358 176.202 176.600 -0.067 0.000 0.635 590 E CA 1.121 57.492 56.400 -0.049 0.000 1.238 590 E CB -0.920 28.760 29.700 -0.033 0.000 1.698 590 E HN 0.191 8.551 8.360 -0.000 0.000 0.418 591 T N 0.033 114.551 114.554 -0.060 0.000 2.993 591 T HA 0.693 5.042 4.350 -0.002 0.000 0.312 591 T C -1.294 173.367 174.700 -0.065 0.000 1.115 591 T CA -0.437 61.623 62.100 -0.067 0.000 1.027 591 T CB 1.807 70.648 68.868 -0.045 0.000 1.116 591 T HN 0.261 8.501 8.240 -0.000 0.000 0.464 592 I N 2.102 122.627 120.570 -0.077 0.000 2.619 592 I HA 0.542 4.711 4.170 -0.002 0.000 0.292 592 I C -0.849 175.214 176.117 -0.091 0.000 1.100 592 I CA -0.737 60.519 61.300 -0.074 0.000 1.043 592 I CB 1.744 39.703 38.000 -0.068 0.000 1.239 592 I HN 0.448 8.658 8.210 -0.000 0.000 0.420 593 E N 4.143 124.287 120.200 -0.095 0.000 2.319 593 E HA 0.238 4.587 4.350 -0.002 0.000 0.268 593 E C 0.826 177.358 176.600 -0.114 0.000 1.050 593 E CA 0.090 56.410 56.400 -0.133 0.000 0.878 593 E CB 1.625 31.247 29.700 -0.128 0.000 1.066 593 E HN 0.863 9.223 8.360 -0.000 0.000 0.406 594 G N 2.135 110.854 108.800 -0.134 0.000 2.462 594 G HA2 -0.265 3.695 3.960 -0.002 0.000 0.220 594 G HA3 -0.265 3.695 3.960 -0.002 0.000 0.220 594 G C 0.904 175.771 174.900 -0.056 0.000 1.121 594 G CA 0.551 45.600 45.100 -0.084 0.000 0.758 594 G HN 0.380 8.670 8.290 -0.000 0.000 0.559 595 D N 0.073 120.439 120.400 -0.057 0.000 2.123 595 D HA -0.060 4.579 4.640 -0.002 0.000 0.200 595 D C 2.202 178.483 176.300 -0.033 0.000 0.976 595 D CA 0.815 54.794 54.000 -0.035 0.000 0.831 595 D CB -0.206 40.574 40.800 -0.032 0.000 0.974 595 D HN 0.483 8.853 8.370 -0.000 0.000 0.469 596 E N 0.024 120.199 120.200 -0.041 0.000 2.153 596 E HA -0.155 4.194 4.350 -0.002 0.000 0.194 596 E C 2.099 178.679 176.600 -0.033 0.000 0.988 596 E CA 0.343 56.722 56.400 -0.035 0.000 0.811 596 E CB 0.035 29.711 29.700 -0.040 0.000 0.746 596 E HN 0.094 8.454 8.360 -0.000 0.000 0.466 597 L N 0.745 121.943 121.223 -0.041 0.000 2.072 597 L HA -0.068 4.272 4.340 -0.002 0.000 0.205 597 L C 2.227 179.077 176.870 -0.034 0.000 1.079 597 L CA 1.476 56.291 54.840 -0.041 0.000 0.752 597 L CB -0.097 41.931 42.059 -0.053 0.000 0.906 597 L HN -0.073 8.157 8.230 -0.000 0.000 0.436 598 R N -0.868 119.614 120.500 -0.029 0.000 2.148 598 R HA -0.105 4.234 4.340 -0.002 0.000 0.227 598 R C 2.431 178.725 176.300 -0.010 0.000 1.103 598 R CA 1.170 57.257 56.100 -0.021 0.000 0.983 598 R CB -0.291 30.000 30.300 -0.015 0.000 0.874 598 R HN 0.365 8.635 8.270 -0.000 0.000 0.451 599 R N 0.952 121.446 120.500 -0.010 0.000 2.075 599 R HA -0.052 4.287 4.340 -0.002 0.000 0.232 599 R C 2.078 178.381 176.300 0.005 0.000 1.126 599 R CA 1.247 57.346 56.100 -0.002 0.000 0.963 599 R CB -0.124 30.172 30.300 -0.007 0.000 0.858 599 R HN 0.165 8.435 8.270 -0.000 0.000 0.435 600 I N 0.888 121.458 120.570 0.000 0.000 2.454 600 I HA -0.260 3.909 4.170 -0.002 0.000 0.254 600 I C 1.768 177.905 176.117 0.034 0.000 1.156 600 I CA 1.035 62.341 61.300 0.011 0.000 1.433 600 I CB -0.025 37.975 38.000 0.000 0.000 1.082 600 I HN 0.232 8.442 8.210 -0.000 0.000 0.432 601 L N 0.111 121.351 121.223 0.027 0.000 2.558 601 L HA 0.021 4.360 4.340 -0.002 0.000 0.225 601 L C 1.361 178.289 176.870 0.097 0.000 1.128 601 L CA 0.196 55.074 54.840 0.062 0.000 0.868 601 L CB -0.159 41.878 42.059 -0.036 0.000 1.006 601 L HN 0.232 8.462 8.230 -0.000 0.000 0.454 602 S N -0.167 115.567 115.700 0.057 0.000 3.266 602 S HA 0.236 4.705 4.470 -0.002 0.000 0.209 602 S C 0.269 174.898 174.600 0.048 0.000 1.409 602 S CA -0.778 57.456 58.200 0.057 0.000 1.179 602 S CB -0.667 62.553 63.200 0.033 0.000 1.218 602 S HN 0.511 8.821 8.310 -0.000 0.000 0.514 603 E N 0.000 120.235 120.200 0.059 0.000 2.725 603 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 603 E CA 0.000 56.422 56.400 0.036 0.000 0.976 603 E CB 0.000 29.715 29.700 0.024 0.000 0.812 603 E HN 0.000 8.360 8.360 -0.000 0.000 0.440