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 2agm_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSDGEPLVGG DTDDQLQGGS GADRLDGGAG DDILDGGAGR DRLSGGAGAD DATA SEQUENCE TFVFSAREDS YRTDTAVFND LILDFEASED RIDLSALGFS GLGDGYGGTL DATA SEQUENCE LLKTNAEGTR TYLKSFEADA EGRRFEVALD GDHTGDLSAA NVVFAATGTT DATA SEQUENCE TELEVLGDSG TQAGAIV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.895 174.900 -0.008 0.000 0.946 1 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 2 S N 3.300 118.996 115.700 -0.007 0.000 2.485 2 S HA 0.296 4.757 4.470 -0.014 0.000 0.312 2 S C -1.097 173.496 174.600 -0.012 0.000 1.102 2 S CA -0.158 58.036 58.200 -0.010 0.000 1.066 2 S CB 0.247 63.443 63.200 -0.007 0.000 1.102 2 S HN -0.166 8.141 8.310 -0.005 0.000 0.519 3 D N 4.364 124.754 120.400 -0.017 0.000 2.610 3 D HA 0.185 4.816 4.640 -0.015 0.000 0.271 3 D C -0.877 175.409 176.300 -0.024 0.000 1.174 3 D CA -0.475 53.514 54.000 -0.018 0.000 0.949 3 D CB 2.540 43.331 40.800 -0.015 0.000 1.430 3 D HN -0.069 8.288 8.370 -0.022 0.000 0.467 4 G N -0.817 107.970 108.800 -0.023 0.000 2.384 4 G HA2 -0.191 3.753 3.960 -0.026 0.000 0.204 4 G HA3 -0.191 3.966 3.960 -0.035 -0.218 0.204 4 G C -1.943 172.942 174.900 -0.025 0.000 1.237 4 G CA -0.447 44.637 45.100 -0.028 0.000 1.060 4 G HN -0.148 8.131 8.290 -0.019 0.000 0.514 5 E N 1.886 122.069 120.200 -0.028 0.000 2.400 5 E HA 0.357 4.695 4.350 -0.021 0.000 0.232 5 E C -1.804 174.780 176.600 -0.028 0.000 0.988 5 E CA -3.777 52.608 56.400 -0.025 0.000 0.823 5 E CB 0.884 30.570 29.700 -0.024 0.000 1.246 5 E HN -0.061 8.412 8.360 -0.033 -0.132 0.441 6 P HA 0.022 4.630 4.420 -0.032 -0.206 0.276 6 P C -1.634 175.652 177.300 -0.024 0.000 1.243 6 P CA -0.639 62.445 63.100 -0.026 0.000 0.768 6 P CB 0.452 32.138 31.700 -0.023 0.000 0.856 7 L N 6.236 127.443 121.223 -0.027 0.000 2.283 7 L HA 0.306 4.635 4.340 -0.019 0.000 0.281 7 L C -1.791 175.066 176.870 -0.021 0.000 1.033 7 L CA -0.664 54.162 54.840 -0.023 0.000 0.848 7 L CB 1.395 43.438 42.059 -0.026 0.000 1.226 7 L HN 0.029 8.139 8.230 -0.032 0.101 0.429 8 V N 7.793 127.698 119.914 -0.016 0.000 2.294 8 V HA 0.721 5.039 4.120 -0.014 -0.206 0.272 8 V C 0.116 176.205 176.094 -0.009 0.000 1.027 8 V CA -2.069 60.224 62.300 -0.012 0.000 0.823 8 V CB -0.696 31.121 31.823 -0.009 0.000 1.030 8 V HN 0.325 8.507 8.190 -0.014 0.000 0.457 9 G N 7.718 116.513 108.800 -0.008 0.000 1.834 9 G HA2 0.000 3.958 3.960 -0.003 0.000 0.247 9 G HA3 0.000 3.956 3.960 -0.007 0.000 0.247 9 G C -2.306 172.591 174.900 -0.005 0.000 1.691 9 G CA 0.809 45.906 45.100 -0.006 0.000 0.922 9 G HN 0.495 8.780 8.290 -0.010 0.000 0.682 10 G N 0.557 109.356 108.800 -0.002 0.000 3.747 10 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.289 10 G HA3 -0.043 3.918 3.960 0.002 0.000 0.289 10 G C -2.676 172.226 174.900 0.004 0.000 3.650 10 G CA 0.720 45.820 45.100 0.001 0.000 0.560 10 G HN -0.465 7.825 8.290 0.000 0.000 0.267 11 D N -1.214 119.188 120.400 0.002 0.000 2.407 11 D HA 0.346 4.989 4.640 0.005 0.000 0.208 11 D C -0.218 176.084 176.300 0.002 0.000 1.083 11 D CA -0.436 53.566 54.000 0.003 0.000 0.844 11 D CB 1.422 42.223 40.800 0.002 0.000 0.967 11 D HN -0.010 8.361 8.370 0.000 0.000 0.506 12 T N -1.731 112.824 114.554 0.001 0.000 2.928 12 T HA 0.136 4.486 4.350 -0.000 0.000 0.296 12 T C -0.744 173.956 174.700 -0.001 0.000 1.000 12 T CA -1.356 60.744 62.100 -0.000 0.000 0.989 12 T CB 2.226 71.093 68.868 -0.001 0.000 1.005 12 T HN -0.666 7.509 8.240 0.001 0.066 0.442 13 D N 2.566 122.966 120.400 -0.001 0.000 2.571 13 D HA -0.305 4.727 4.640 0.001 -0.391 0.231 13 D C -1.584 174.714 176.300 -0.003 0.000 1.133 13 D CA 1.043 55.042 54.000 -0.001 0.000 0.862 13 D CB 0.454 41.252 40.800 -0.003 0.000 1.179 13 D HN -0.012 8.357 8.370 -0.001 0.000 0.474 14 D N 1.252 121.650 120.400 -0.003 0.000 3.235 14 D HA -0.052 4.585 4.640 -0.006 0.000 0.360 14 D C -2.461 173.835 176.300 -0.006 0.000 1.465 14 D CA -0.178 53.819 54.000 -0.005 0.000 0.874 14 D CB 1.585 42.381 40.800 -0.006 0.000 1.465 14 D HN -0.363 8.098 8.370 -0.001 -0.091 0.533 15 Q N -0.436 119.359 119.800 -0.009 0.000 2.330 15 Q HA 0.723 5.269 4.340 -0.013 -0.213 0.269 15 Q C -1.135 174.854 176.000 -0.018 0.000 1.022 15 Q CA -1.334 54.461 55.803 -0.014 0.000 0.796 15 Q CB 1.929 30.659 28.738 -0.014 0.000 1.271 15 Q HN 0.101 8.365 8.270 -0.009 0.000 0.450 16 L N 6.600 127.808 121.223 -0.025 0.000 2.385 16 L HA 0.368 4.691 4.340 -0.027 0.000 0.273 16 L C -2.113 174.728 176.870 -0.047 0.000 0.990 16 L CA -0.373 54.448 54.840 -0.032 0.000 0.821 16 L CB 2.195 44.236 42.059 -0.029 0.000 1.279 16 L HN 0.869 9.083 8.230 -0.027 0.000 0.412 17 Q N 1.923 121.696 119.800 -0.044 0.000 2.397 17 Q HA 0.621 5.128 4.340 -0.069 -0.208 0.275 17 Q C -0.922 175.050 176.000 -0.047 0.000 1.090 17 Q CA -1.972 53.800 55.803 -0.052 0.000 0.809 17 Q CB 3.233 31.946 28.738 -0.041 0.000 1.362 17 Q HN 0.124 8.373 8.270 -0.036 0.000 0.431 18 G N 0.251 109.019 108.800 -0.054 0.000 2.411 18 G HA2 0.038 3.969 3.960 -0.048 0.000 0.213 18 G HA3 0.038 3.965 3.960 -0.055 0.000 0.213 18 G C -0.591 174.285 174.900 -0.041 0.000 1.166 18 G CA 0.586 45.656 45.100 -0.050 0.000 0.802 18 G HN 0.816 9.069 8.290 -0.062 0.000 0.533 19 G N 0.487 109.266 108.800 -0.035 0.000 5.347 19 G HA2 -0.412 3.536 3.960 -0.019 0.000 0.299 19 G HA3 -0.412 3.533 3.960 -0.025 0.000 0.299 19 G C -1.676 173.207 174.900 -0.028 0.000 1.492 19 G CA 0.339 45.423 45.100 -0.026 0.000 0.991 19 G HN -0.043 8.226 8.290 -0.035 0.000 0.749 20 S N -0.346 115.330 115.700 -0.041 0.000 2.595 20 S HA 0.226 4.795 4.470 -0.079 -0.146 0.270 20 S C -0.402 174.152 174.600 -0.077 0.000 1.145 20 S CA -1.280 56.883 58.200 -0.061 0.000 0.825 20 S CB 1.216 64.396 63.200 -0.033 0.000 1.107 20 S HN -0.427 7.858 8.310 -0.041 0.000 0.461 21 G N 2.093 110.819 108.800 -0.124 0.000 2.709 21 G HA2 -0.260 3.616 3.960 -0.140 0.000 0.228 21 G HA3 -0.260 3.650 3.960 -0.083 0.000 0.228 21 G C -2.776 172.041 174.900 -0.139 0.000 1.215 21 G CA -0.126 44.900 45.100 -0.123 0.000 1.003 21 G HN -0.289 7.896 8.290 -0.176 0.000 0.584 22 A N 3.309 126.072 122.820 -0.095 0.000 2.536 22 A HA 0.490 5.046 4.320 -0.099 -0.295 0.329 22 A C -2.636 174.911 177.584 -0.063 0.000 1.321 22 A CA -1.278 50.709 52.037 -0.083 0.000 0.804 22 A CB 1.213 20.172 19.000 -0.068 0.000 1.126 22 A HN 0.249 8.355 8.150 -0.074 0.000 0.480 23 D N 4.071 124.433 120.400 -0.064 0.000 2.473 23 D HA 0.303 5.088 4.640 -0.045 -0.173 0.253 23 D C -1.322 174.946 176.300 -0.054 0.000 1.233 23 D CA -0.508 53.460 54.000 -0.053 0.000 0.908 23 D CB 3.115 43.883 40.800 -0.052 0.000 1.170 23 D HN 0.101 9.020 8.370 -0.076 -0.594 0.558 24 R N 3.693 124.165 120.500 -0.047 0.000 2.235 24 R HA 0.336 4.858 4.340 -0.055 -0.215 0.338 24 R C -0.460 175.811 176.300 -0.049 0.000 1.087 24 R CA -2.192 53.879 56.100 -0.048 0.000 0.948 24 R CB -1.036 29.241 30.300 -0.038 0.000 1.099 24 R HN 0.342 8.587 8.270 -0.041 0.000 0.483 25 L N 0.512 121.698 121.223 -0.061 0.000 2.307 25 L HA 0.682 5.182 4.340 -0.045 -0.188 0.282 25 L C -1.587 175.245 176.870 -0.063 0.000 1.051 25 L CA -1.206 53.599 54.840 -0.058 0.000 0.804 25 L CB 2.086 44.107 42.059 -0.064 0.000 1.197 25 L HN -0.177 8.010 8.230 -0.072 0.000 0.431 26 D N 2.819 123.194 120.400 -0.043 0.000 2.616 26 D HA 0.698 5.577 4.640 -0.039 -0.262 0.238 26 D C 0.233 176.524 176.300 -0.015 0.000 1.354 26 D CA -0.769 53.213 54.000 -0.031 0.000 0.970 26 D CB 4.284 45.070 40.800 -0.023 0.000 1.369 26 D HN 0.471 8.820 8.370 -0.034 0.000 0.585 27 G N 4.408 113.205 108.800 -0.004 0.000 2.505 27 G HA2 -0.124 3.883 3.960 -0.002 0.000 0.214 27 G HA3 -0.124 3.845 3.960 0.014 0.000 0.214 27 G C -0.704 174.201 174.900 0.009 0.000 1.237 27 G CA 1.345 46.448 45.100 0.005 0.000 0.802 27 G HN 0.349 8.639 8.290 -0.000 0.000 0.549 28 G N -1.388 107.423 108.800 0.018 0.000 3.151 28 G HA2 -0.234 3.735 3.960 0.016 0.000 0.197 28 G HA3 -0.234 3.732 3.960 0.011 0.000 0.197 28 G C -2.732 172.180 174.900 0.021 0.000 1.682 28 G CA -0.122 44.988 45.100 0.016 0.000 1.205 28 G HN -0.029 8.277 8.290 0.027 0.000 0.510 29 A N 2.039 124.870 122.820 0.019 0.000 2.466 29 A HA 0.864 5.404 4.320 0.022 -0.207 0.284 29 A C -2.174 175.420 177.584 0.016 0.000 1.049 29 A CA -0.542 51.506 52.037 0.018 0.000 0.760 29 A CB 2.169 21.177 19.000 0.013 0.000 1.274 29 A HN -0.617 7.543 8.150 0.016 0.000 0.412 30 G N 1.376 110.187 108.800 0.018 0.000 2.335 30 G HA2 0.038 4.002 3.960 0.008 0.000 0.291 30 G HA3 0.038 4.208 3.960 0.014 -0.202 0.291 30 G C -2.929 171.977 174.900 0.011 0.000 1.261 30 G CA 0.621 45.728 45.100 0.013 0.000 0.871 30 G HN -0.557 7.746 8.290 0.022 0.000 0.491 31 D N 1.011 121.415 120.400 0.006 0.000 2.908 31 D HA 0.414 5.236 4.640 -0.002 -0.183 0.361 31 D C -1.265 175.036 176.300 0.002 0.000 1.416 31 D CA -1.241 52.758 54.000 -0.001 0.000 0.796 31 D CB 0.212 41.007 40.800 -0.008 0.000 1.185 31 D HN 0.185 8.559 8.370 0.006 0.000 0.451 32 D N 0.475 120.883 120.400 0.014 0.000 2.387 32 D HA 0.209 4.853 4.640 0.007 0.000 0.251 32 D C -0.858 175.458 176.300 0.025 0.000 1.141 32 D CA -0.025 53.985 54.000 0.016 0.000 0.987 32 D CB 1.762 42.575 40.800 0.020 0.000 1.116 32 D HN -0.730 7.730 8.370 0.022 -0.077 0.491 33 I N -5.213 115.367 120.570 0.017 0.000 2.418 33 I HA 0.741 5.111 4.170 0.036 -0.179 0.287 33 I C -2.055 174.062 176.117 0.001 0.000 1.008 33 I CA -1.393 59.916 61.300 0.015 0.000 1.104 33 I CB 1.667 39.666 38.000 -0.001 0.000 1.264 33 I HN -0.260 7.955 8.210 0.008 0.000 0.438 34 L N 5.945 127.169 121.223 0.001 0.000 2.341 34 L HA 0.982 5.509 4.340 -0.060 -0.223 0.267 34 L C -1.757 175.009 176.870 -0.173 0.000 1.009 34 L CA -1.179 53.623 54.840 -0.064 0.000 0.819 34 L CB 3.788 45.814 42.059 -0.055 0.000 1.323 34 L HN 0.876 9.137 8.230 0.052 0.000 0.425 35 D N -0.875 119.408 120.400 -0.195 0.000 2.736 35 D HA 0.523 5.029 4.640 -0.477 -0.152 0.243 35 D C 0.516 176.708 176.300 -0.180 0.000 1.304 35 D CA -1.100 52.743 54.000 -0.261 0.000 0.934 35 D CB 3.248 43.954 40.800 -0.157 0.000 1.382 35 D HN 0.199 8.485 8.370 -0.139 0.000 0.571 36 G N 3.918 112.609 108.800 -0.182 0.000 2.509 36 G HA2 -0.164 3.744 3.960 -0.086 0.000 0.218 36 G HA3 -0.164 3.803 3.960 0.013 0.000 0.218 36 G C -0.178 174.714 174.900 -0.014 0.000 1.124 36 G CA 0.520 45.585 45.100 -0.058 0.000 0.776 36 G HN 0.666 8.755 8.290 -0.335 0.000 0.547 37 G N 0.059 108.865 108.800 0.011 0.000 2.752 37 G HA2 -0.408 3.566 3.960 0.023 0.000 0.234 37 G HA3 -0.408 3.632 3.960 -0.016 -0.089 0.234 37 G C -0.946 173.965 174.900 0.018 0.000 1.367 37 G CA -0.547 44.560 45.100 0.011 0.000 0.879 37 G HN -0.590 7.999 8.290 0.012 -0.291 0.563 38 A N 0.118 122.936 122.820 -0.003 0.000 2.310 38 A HA 0.062 4.406 4.320 0.039 0.000 0.260 38 A C -0.147 177.343 177.584 -0.157 0.000 1.112 38 A CA -0.226 51.807 52.037 -0.006 0.000 0.804 38 A CB 1.177 20.203 19.000 0.044 0.000 1.081 38 A HN -0.008 8.043 8.150 -0.008 0.094 0.499 39 G N -0.866 107.696 108.800 -0.397 0.000 2.527 39 G HA2 -0.384 2.210 3.960 -2.277 0.000 0.227 39 G HA3 -0.384 3.195 3.960 -0.635 0.000 0.227 39 G C -1.479 172.947 174.900 -0.789 0.000 1.291 39 G CA 0.067 44.541 45.100 -1.044 0.000 0.904 39 G HN 0.133 8.363 8.290 -0.100 0.000 0.577 40 R N 4.167 124.331 120.500 -0.560 0.000 2.312 40 R HA 0.385 4.616 4.340 -0.182 0.000 0.310 40 R C -1.378 174.823 176.300 -0.165 0.000 1.064 40 R CA -1.475 54.465 56.100 -0.268 0.000 0.983 40 R CB 0.819 30.989 30.300 -0.216 0.000 1.139 40 R HN -0.060 7.896 8.270 -0.523 0.000 0.536 41 D N 3.071 123.408 120.400 -0.104 0.000 2.523 41 D HA 0.285 4.879 4.640 -0.076 0.000 0.236 41 D C -2.391 173.884 176.300 -0.041 0.000 1.094 41 D CA -1.041 52.916 54.000 -0.072 0.000 0.942 41 D CB 3.979 44.733 40.800 -0.076 0.000 1.447 41 D HN 0.105 8.427 8.370 -0.081 0.000 0.479 42 R N -0.641 119.832 120.500 -0.045 0.000 2.740 42 R HA 0.767 5.290 4.340 -0.033 -0.203 0.282 42 R C -1.889 174.368 176.300 -0.071 0.000 0.969 42 R CA -1.315 54.759 56.100 -0.044 0.000 0.918 42 R CB 2.728 33.008 30.300 -0.034 0.000 1.175 42 R HN 0.274 8.513 8.270 -0.053 0.000 0.464 43 L N -0.097 121.061 121.223 -0.108 0.000 2.424 43 L HA 1.041 5.470 4.340 -0.148 -0.177 0.258 43 L C -2.010 174.717 176.870 -0.238 0.000 0.995 43 L CA -1.116 53.612 54.840 -0.187 0.000 0.821 43 L CB 3.969 45.864 42.059 -0.274 0.000 1.383 43 L HN 0.023 8.191 8.230 -0.103 0.000 0.410 44 S N -1.561 114.007 115.700 -0.219 0.000 2.668 44 S HA 0.527 4.895 4.470 -0.170 0.000 0.277 44 S C 0.490 175.039 174.600 -0.084 0.000 1.170 44 S CA -0.807 57.309 58.200 -0.139 0.000 0.994 44 S CB 2.926 66.104 63.200 -0.036 0.000 1.051 44 S HN -0.367 7.834 8.310 -0.182 0.000 0.484 45 G N 2.536 111.365 108.800 0.048 0.000 2.404 45 G HA2 -0.148 3.861 3.960 0.082 0.000 0.215 45 G HA3 -0.148 4.183 3.960 0.405 -0.128 0.215 45 G C -0.740 174.223 174.900 0.106 0.000 1.174 45 G CA 1.113 46.319 45.100 0.177 0.000 0.780 45 G HN 0.828 9.232 8.290 0.190 0.000 0.537 46 G N -2.133 106.736 108.800 0.114 0.000 2.302 46 G HA2 -0.174 3.814 3.960 0.047 0.000 0.276 46 G HA3 -0.174 3.842 3.960 0.050 -0.026 0.276 46 G C -2.233 172.701 174.900 0.058 0.000 1.316 46 G CA -0.617 44.522 45.100 0.064 0.000 0.988 46 G HN -0.918 7.478 8.290 0.178 0.000 0.479 47 A N 2.227 125.066 122.820 0.031 0.000 2.437 47 A HA 0.248 4.569 4.320 0.002 0.000 0.303 47 A C -0.943 176.651 177.584 0.017 0.000 1.324 47 A CA -0.449 51.597 52.037 0.015 0.000 0.983 47 A CB -0.123 18.884 19.000 0.013 0.000 1.142 47 A HN 0.019 8.186 8.150 0.028 0.000 0.541 48 G N 2.018 110.825 108.800 0.012 0.000 2.325 48 G HA2 0.075 4.036 3.960 0.002 0.000 0.295 48 G HA3 0.075 4.211 3.960 0.017 -0.166 0.295 48 G C -2.233 172.663 174.900 -0.008 0.000 1.274 48 G CA 0.534 45.638 45.100 0.007 0.000 0.857 48 G HN -0.608 7.687 8.290 0.007 0.000 0.499 49 A N 1.699 124.509 122.820 -0.015 0.000 3.173 49 A HA 0.411 4.687 4.320 -0.057 0.009 0.304 49 A C -1.277 176.281 177.584 -0.044 0.000 1.318 49 A CA -1.524 50.489 52.037 -0.039 0.000 1.069 49 A CB 0.389 19.369 19.000 -0.033 0.000 1.147 49 A HN -0.157 7.989 8.150 -0.007 0.000 0.547 50 D N 3.021 123.394 120.400 -0.044 0.000 2.377 50 D HA 0.220 4.995 4.640 0.019 -0.124 0.245 50 D C -0.424 175.806 176.300 -0.117 0.000 1.196 50 D CA 0.559 54.555 54.000 -0.008 0.000 0.962 50 D CB 2.228 43.132 40.800 0.174 0.000 1.127 50 D HN -0.547 7.883 8.370 -0.039 -0.083 0.471 51 T N 2.400 116.947 114.554 -0.011 0.000 2.912 51 T HA 0.350 4.791 4.350 -0.122 -0.165 0.326 51 T C -0.872 173.897 174.700 0.115 0.000 1.080 51 T CA -0.488 61.596 62.100 -0.026 0.000 1.000 51 T CB 0.363 69.224 68.868 -0.011 0.000 1.008 51 T HN 0.224 8.506 8.240 0.070 0.000 0.473 52 F N 7.792 127.699 119.950 -0.072 0.000 2.464 52 F HA 0.251 4.714 4.527 -0.315 -0.125 0.353 52 F C 0.004 175.599 175.800 -0.342 0.000 1.191 52 F CA -3.249 54.607 58.000 -0.241 0.000 1.147 52 F CB -1.670 37.272 39.000 -0.096 0.000 1.294 52 F HN 0.991 9.109 8.300 -0.129 0.105 0.583 53 V N 4.258 124.040 119.914 -0.219 0.000 2.530 53 V HA -0.167 3.943 4.120 -0.016 0.000 0.282 53 V C -1.688 174.180 176.094 -0.377 0.000 1.048 53 V CA 0.860 63.059 62.300 -0.167 0.000 0.997 53 V CB 0.482 32.254 31.823 -0.086 0.000 0.987 53 V HN 0.813 8.780 8.190 -0.204 0.101 0.477 54 F N 5.309 125.305 119.950 0.077 0.000 2.574 54 F HA 0.303 4.867 4.527 0.061 0.000 0.313 54 F C -0.554 175.288 175.800 0.069 0.000 1.130 54 F CA -0.291 57.752 58.000 0.073 0.000 0.936 54 F CB 4.162 43.212 39.000 0.085 0.000 1.219 54 F HN -0.448 7.975 8.300 0.205 0.000 0.445 55 S N 2.319 118.168 115.700 0.249 0.000 2.893 55 S HA 0.143 4.708 4.470 0.158 0.000 0.258 55 S C -0.592 174.086 174.600 0.130 0.000 1.034 55 S CA -0.627 57.666 58.200 0.156 0.000 1.167 55 S CB 1.523 64.781 63.200 0.098 0.000 1.137 55 S HN 0.438 8.904 8.310 0.260 0.000 0.650 56 A N 1.067 123.979 122.820 0.154 0.000 2.624 56 A HA -0.261 4.224 4.320 0.067 -0.125 0.302 56 A C 0.224 177.816 177.584 0.014 0.000 1.504 56 A CA 1.211 53.298 52.037 0.084 0.000 0.804 56 A CB -0.959 18.114 19.000 0.122 0.000 1.020 56 A HN 0.105 8.386 8.150 0.218 0.000 0.444 57 R N -3.269 117.245 120.500 0.024 0.000 2.140 57 R HA -0.074 4.261 4.340 -0.010 0.000 0.213 57 R C 0.883 177.172 176.300 -0.019 0.000 1.059 57 R CA 1.233 57.334 56.100 0.001 0.000 1.000 57 R CB 0.072 30.381 30.300 0.016 0.000 0.910 57 R HN 0.170 8.455 8.270 0.053 0.016 0.455 58 E N -2.526 117.672 120.200 -0.004 0.000 2.290 58 E HA 0.059 4.404 4.350 -0.009 0.000 0.199 58 E C -0.672 175.914 176.600 -0.024 0.000 0.912 58 E CA 0.113 56.512 56.400 -0.002 0.000 0.924 58 E CB 0.222 29.935 29.700 0.023 0.000 0.901 58 E HN -0.295 8.045 8.360 0.021 0.033 0.487 59 D N -3.195 117.187 120.400 -0.030 0.000 2.304 59 D HA -0.009 4.594 4.640 -0.062 0.000 0.247 59 D C -0.231 175.847 176.300 -0.371 0.000 1.089 59 D CA 0.671 54.606 54.000 -0.108 0.000 0.910 59 D CB 0.795 41.606 40.800 0.019 0.000 1.199 59 D HN -0.401 7.981 8.370 0.019 0.000 0.426 60 S N 2.910 118.200 115.700 -0.684 0.000 4.736 60 S HA 0.078 3.972 4.470 -0.960 0.000 0.170 60 S C -2.085 171.682 174.600 -1.388 0.000 1.074 60 S CA 0.741 58.275 58.200 -1.109 0.000 1.250 60 S CB 1.604 64.034 63.200 -1.283 0.000 1.772 60 S HN 0.626 8.604 8.310 -0.554 0.000 0.633 61 Y N -4.929 115.056 120.300 -0.525 0.000 2.818 61 Y HA 0.152 4.549 4.550 -0.255 0.000 0.341 61 Y C -2.305 173.526 175.900 -0.115 0.000 1.283 61 Y CA -2.178 55.741 58.100 -0.302 0.000 1.075 61 Y CB 0.955 39.297 38.460 -0.197 0.000 1.370 61 Y HN -0.717 7.093 8.280 -0.782 0.000 0.448 62 R N -2.098 118.541 120.500 0.231 0.000 2.778 62 R HA 0.656 5.202 4.340 0.141 -0.121 0.277 62 R C -0.442 175.911 176.300 0.090 0.000 0.977 62 R CA -1.988 54.203 56.100 0.151 0.000 0.950 62 R CB 2.375 32.757 30.300 0.136 0.000 1.165 62 R HN 0.545 8.863 8.270 0.251 0.103 0.474 63 T N -1.929 112.655 114.554 0.050 0.000 2.864 63 T HA 0.396 4.734 4.350 -0.021 0.000 0.289 63 T C 0.041 174.751 174.700 0.016 0.000 1.082 63 T CA -2.405 59.695 62.100 -0.001 0.000 1.009 63 T CB 2.715 71.560 68.868 -0.038 0.000 1.234 63 T HN 0.266 8.429 8.240 0.064 0.116 0.526 64 D N 0.002 120.402 120.400 0.001 0.000 2.178 64 D HA -0.164 4.488 4.640 0.021 0.000 0.201 64 D C 0.902 177.214 176.300 0.019 0.000 0.980 64 D CA 2.691 56.698 54.000 0.011 0.000 0.842 64 D CB 0.209 41.010 40.800 0.001 0.000 0.948 64 D HN 0.522 8.881 8.370 -0.018 0.000 0.472 65 T N -7.235 107.326 114.554 0.013 0.000 3.069 65 T HA 0.009 4.376 4.350 0.027 0.000 0.252 65 T C -1.139 173.585 174.700 0.039 0.000 1.053 65 T CA -0.559 61.554 62.100 0.021 0.000 0.964 65 T CB 0.590 69.462 68.868 0.008 0.000 1.005 65 T HN -0.487 7.752 8.240 -0.002 0.000 0.532 66 A N 2.258 125.105 122.820 0.045 0.000 2.684 66 A HA 0.269 4.681 4.320 0.153 0.000 0.289 66 A C -2.079 175.591 177.584 0.144 0.000 1.139 66 A CA 0.207 52.298 52.037 0.091 0.000 0.793 66 A CB 1.628 20.612 19.000 -0.027 0.000 1.334 66 A HN -0.871 7.178 8.150 0.031 0.119 0.408 67 V N 4.578 124.622 119.914 0.216 0.000 2.406 67 V HA 0.051 4.278 4.120 0.179 0.000 0.272 67 V C -1.354 174.971 176.094 0.386 0.000 1.043 67 V CA -0.319 62.112 62.300 0.217 0.000 0.915 67 V CB 0.714 32.616 31.823 0.131 0.000 0.988 67 V HN 0.107 8.416 8.190 0.199 0.000 0.466 68 F N 5.294 125.248 119.950 0.006 0.000 2.881 68 F HA 0.140 4.731 4.527 -0.013 -0.071 0.343 68 F C -1.504 174.287 175.800 -0.014 0.000 1.233 68 F CA -2.013 55.977 58.000 -0.017 0.000 1.262 68 F CB 0.643 39.613 39.000 -0.049 0.000 0.980 68 F HN 0.111 8.601 8.300 0.316 0.000 0.506 69 N N 1.222 120.000 118.700 0.131 0.000 2.520 69 N HA -0.137 4.669 4.740 0.111 0.000 0.273 69 N C -0.681 174.839 175.510 0.018 0.000 1.155 69 N CA -0.147 52.945 53.050 0.069 0.000 0.967 69 N CB 0.885 39.380 38.487 0.013 0.000 1.092 69 N HN -0.608 7.790 8.380 0.122 0.056 0.457 70 D N 1.830 122.237 120.400 0.013 0.000 2.372 70 D HA 0.004 4.779 4.640 0.028 -0.118 0.243 70 D C -1.512 174.764 176.300 -0.040 0.000 1.121 70 D CA 0.444 54.449 54.000 0.009 0.000 0.898 70 D CB 1.268 42.082 40.800 0.023 0.000 1.202 70 D HN 0.231 8.624 8.370 0.039 0.000 0.428 71 L N 3.640 124.855 121.223 -0.014 0.000 2.415 71 L HA 0.687 5.235 4.340 -0.050 -0.237 0.268 71 L C -1.737 175.127 176.870 -0.010 0.000 0.984 71 L CA -1.197 53.630 54.840 -0.023 0.000 0.853 71 L CB 2.355 44.407 42.059 -0.012 0.000 1.215 71 L HN -0.462 7.775 8.230 0.012 0.000 0.419 72 I N 5.211 125.779 120.570 -0.003 0.000 2.441 72 I HA 0.167 4.393 4.170 -0.109 -0.121 0.287 72 I C -1.485 174.648 176.117 0.026 0.000 1.049 72 I CA 0.451 61.739 61.300 -0.021 0.000 1.381 72 I CB 0.849 38.870 38.000 0.036 0.000 1.409 72 I HN 0.567 8.770 8.210 -0.013 0.000 0.523 73 L N 7.363 128.585 121.223 -0.001 0.000 2.334 73 L HA 0.379 4.770 4.340 0.085 0.000 0.270 73 L C -0.336 176.612 176.870 0.131 0.000 1.018 73 L CA -1.560 53.315 54.840 0.058 0.000 0.811 73 L CB 3.039 45.105 42.059 0.013 0.000 1.271 73 L HN 0.551 8.720 8.230 -0.102 0.000 0.443 74 D N 0.284 120.766 120.400 0.136 0.000 2.730 74 D HA -0.358 4.346 4.640 0.107 0.000 0.227 74 D C -1.413 174.991 176.300 0.174 0.000 1.196 74 D CA 1.433 55.506 54.000 0.121 0.000 0.620 74 D CB -1.047 39.790 40.800 0.062 0.000 1.012 74 D HN 0.270 8.708 8.370 0.113 0.000 0.411 75 F N 0.461 120.479 119.950 0.114 0.000 2.578 75 F HA -0.172 4.698 4.527 0.251 -0.193 0.381 75 F C -1.240 174.571 175.800 0.017 0.000 1.069 75 F CA -0.163 57.928 58.000 0.152 0.000 1.231 75 F CB 0.903 40.029 39.000 0.208 0.000 1.086 75 F HN -0.889 7.625 8.300 0.401 0.027 0.564 76 E N 9.027 128.902 120.200 -0.541 0.000 2.121 76 E HA 0.301 4.280 4.350 -0.618 0.000 0.255 76 E C -0.744 175.374 176.600 -0.803 0.000 0.906 76 E CA -2.023 53.990 56.400 -0.646 0.000 0.745 76 E CB 1.080 30.506 29.700 -0.456 0.000 1.155 76 E HN 0.608 9.280 8.360 -0.153 -0.405 0.424 77 A N 8.082 130.228 122.820 -1.123 0.000 2.131 77 A HA -0.078 4.047 4.320 -0.522 -0.119 0.220 77 A C 0.043 177.503 177.584 -0.206 0.000 1.158 77 A CA 2.362 54.029 52.037 -0.617 0.000 0.665 77 A CB -0.334 18.477 19.000 -0.315 0.000 0.795 77 A HN -0.085 7.341 8.150 -1.206 0.000 0.460 78 S N -3.652 111.946 115.700 -0.170 0.000 2.453 78 S HA -0.086 4.357 4.470 -0.046 0.000 0.231 78 S C 0.820 175.384 174.600 -0.060 0.000 1.005 78 S CA 2.538 60.696 58.200 -0.069 0.000 0.949 78 S CB -0.250 62.937 63.200 -0.022 0.000 0.774 78 S HN 0.243 8.366 8.310 -0.216 0.058 0.510 79 E N -1.849 118.297 120.200 -0.090 0.000 2.713 79 E HA 0.200 4.523 4.350 -0.046 0.000 0.201 79 E C -0.549 176.004 176.600 -0.080 0.000 0.935 79 E CA 0.266 56.626 56.400 -0.067 0.000 1.273 79 E CB 1.846 31.511 29.700 -0.057 0.000 1.221 79 E HN -0.325 7.815 8.360 -0.149 0.130 0.547 80 D N 1.474 121.808 120.400 -0.111 0.000 2.472 80 D HA -0.197 4.414 4.640 -0.266 -0.131 0.237 80 D C -0.303 175.920 176.300 -0.128 0.000 1.141 80 D CA 2.022 55.909 54.000 -0.188 0.000 0.875 80 D CB 0.378 41.094 40.800 -0.140 0.000 1.192 80 D HN -0.332 7.956 8.370 -0.137 0.000 0.450 81 R N -1.527 118.810 120.500 -0.272 0.000 2.888 81 R HA 0.718 5.211 4.340 -0.043 -0.179 0.264 81 R C -1.220 174.961 176.300 -0.198 0.000 1.045 81 R CA -2.058 53.957 56.100 -0.142 0.000 0.962 81 R CB 5.045 35.304 30.300 -0.069 0.000 1.210 81 R HN 0.659 8.573 8.270 -0.419 0.104 0.479 82 I N -1.720 118.829 120.570 -0.036 0.000 2.569 82 I HA 0.337 4.728 4.170 0.096 -0.163 0.290 82 I C -2.173 174.012 176.117 0.113 0.000 1.088 82 I CA -1.240 60.105 61.300 0.075 0.000 1.047 82 I CB 3.895 41.976 38.000 0.134 0.000 1.237 82 I HN 0.257 8.469 8.210 0.004 0.000 0.421 83 D N 7.480 127.965 120.400 0.141 0.000 2.402 83 D HA 0.091 4.792 4.640 0.101 0.000 0.235 83 D C -1.413 174.994 176.300 0.178 0.000 1.226 83 D CA -0.098 53.978 54.000 0.127 0.000 0.918 83 D CB 0.114 40.971 40.800 0.094 0.000 1.043 83 D HN 0.354 8.706 8.370 0.154 0.110 0.506 84 L N 5.612 126.920 121.223 0.141 0.000 2.913 84 L HA 0.313 4.739 4.340 0.143 0.000 0.283 84 L C -0.598 176.329 176.870 0.095 0.000 1.336 84 L CA -0.808 54.105 54.840 0.122 0.000 0.815 84 L CB -0.104 42.011 42.059 0.093 0.000 1.188 84 L HN -0.479 7.821 8.230 0.117 0.000 0.551 85 S N 0.414 116.173 115.700 0.099 0.000 2.404 85 S HA -0.143 4.375 4.470 0.081 0.000 0.223 85 S C 0.710 175.362 174.600 0.088 0.000 1.040 85 S CA 1.566 59.819 58.200 0.087 0.000 0.957 85 S CB 0.504 63.755 63.200 0.085 0.000 0.826 85 S HN 0.026 8.401 8.310 0.107 0.000 0.491 86 A N 0.361 123.234 122.820 0.089 0.000 2.308 86 A HA 0.167 4.533 4.320 0.077 0.000 0.217 86 A C -0.812 176.827 177.584 0.092 0.000 1.216 86 A CA 0.239 52.326 52.037 0.082 0.000 0.864 86 A CB 0.373 19.416 19.000 0.071 0.000 0.902 86 A HN 0.042 8.249 8.150 0.095 0.000 0.499 87 L N -1.927 119.357 121.223 0.102 0.000 2.349 87 L HA 0.025 4.432 4.340 0.112 0.000 0.278 87 L C 0.031 176.939 176.870 0.064 0.000 0.996 87 L CA -0.908 53.990 54.840 0.095 0.000 0.825 87 L CB 0.851 42.971 42.059 0.102 0.000 1.243 87 L HN -0.727 7.506 8.230 0.101 0.058 0.412 88 G N 2.690 111.529 108.800 0.064 0.000 3.292 88 G HA2 -0.344 3.651 3.960 0.058 0.000 0.636 88 G HA3 -0.344 3.630 3.960 0.024 0.000 0.636 88 G C -1.573 173.418 174.900 0.152 0.000 1.069 88 G CA -0.351 44.790 45.100 0.068 0.000 0.890 88 G HN -0.148 8.187 8.290 0.075 0.000 0.427 89 F N 2.528 122.477 119.950 -0.002 0.000 2.456 89 F HA -0.033 4.492 4.527 -0.003 0.000 0.306 89 F C 0.315 176.114 175.800 -0.002 0.000 1.278 89 F CA -0.947 57.053 58.000 -0.001 0.000 1.264 89 F CB 0.943 39.947 39.000 0.006 0.000 1.253 89 F HN -0.099 8.375 8.300 0.289 0.000 0.554 90 S N -0.779 114.541 115.700 -0.633 0.000 2.539 90 S HA 0.056 4.368 4.470 -0.263 0.000 0.221 90 S C -0.988 173.285 174.600 -0.545 0.000 0.987 90 S CA 0.320 58.203 58.200 -0.529 0.000 0.929 90 S CB 1.036 63.943 63.200 -0.489 0.000 0.832 90 S HN 0.288 7.634 8.310 -1.607 0.000 0.492 91 G N 1.773 110.188 108.800 -0.642 0.000 2.588 91 G HA2 0.267 4.125 3.960 -0.169 0.000 0.312 91 G HA3 0.267 4.168 3.960 -0.097 0.000 0.312 91 G C -1.974 172.984 174.900 0.096 0.000 1.257 91 G CA -0.813 44.178 45.100 -0.182 0.000 0.994 91 G HN -0.444 7.246 8.290 -0.911 0.053 0.498 92 L N 4.019 125.267 121.223 0.042 0.000 2.468 92 L HA -0.274 4.282 4.340 0.093 -0.160 0.253 92 L C 0.318 177.245 176.870 0.095 0.000 1.237 92 L CA 0.647 55.530 54.840 0.071 0.000 0.823 92 L CB 0.362 42.440 42.059 0.032 0.000 1.124 92 L HN 0.392 8.615 8.230 -0.012 0.000 0.504 93 G N -1.197 107.655 108.800 0.087 0.000 2.229 93 G HA2 0.015 4.013 3.960 0.063 0.000 0.089 93 G HA3 0.015 4.038 3.960 0.105 0.000 0.089 93 G C -1.522 173.424 174.900 0.076 0.000 0.832 93 G CA 0.605 45.755 45.100 0.084 0.000 1.234 93 G HN 0.448 8.784 8.290 0.077 0.000 0.466 94 D N 1.909 122.369 120.400 0.100 0.000 2.563 94 D HA 0.181 4.860 4.640 0.065 0.000 0.256 94 D C -0.365 176.009 176.300 0.123 0.000 1.400 94 D CA -0.453 53.601 54.000 0.089 0.000 0.800 94 D CB 2.226 43.060 40.800 0.057 0.000 1.145 94 D HN -0.028 8.421 8.370 0.132 0.000 0.501 95 G N -1.546 107.340 108.800 0.144 0.000 2.148 95 G HA2 -0.410 3.819 3.960 0.145 0.000 0.254 95 G HA3 -0.410 3.610 3.960 0.100 0.000 0.254 95 G C -1.001 173.997 174.900 0.164 0.000 0.981 95 G CA 0.653 45.837 45.100 0.139 0.000 0.670 95 G HN -0.046 8.321 8.290 0.149 0.013 0.528 96 Y N 2.535 122.868 120.300 0.055 0.000 3.133 96 Y HA 0.161 4.691 4.550 -0.034 0.000 0.467 96 Y C 0.770 176.751 175.900 0.135 0.000 1.219 96 Y CA 0.026 58.148 58.100 0.037 0.000 1.802 96 Y CB 1.001 39.473 38.460 0.020 0.000 1.541 96 Y HN -0.254 8.152 8.280 0.290 0.048 0.778 97 G N 0.017 108.918 108.800 0.168 0.000 2.819 97 G HA2 -0.210 3.784 3.960 0.057 0.000 0.272 97 G HA3 -0.210 3.864 3.960 0.191 0.000 0.272 97 G C -0.599 174.369 174.900 0.113 0.000 0.701 97 G CA 0.605 45.782 45.100 0.128 0.000 2.095 97 G HN 0.214 8.832 8.290 0.547 0.000 0.577 98 G N 2.554 111.407 108.800 0.089 0.000 2.171 98 G HA2 -0.356 3.483 3.960 -0.202 0.000 0.238 98 G HA3 -0.356 3.499 3.960 -0.175 0.000 0.238 98 G C -1.332 173.602 174.900 0.057 0.000 1.039 98 G CA -0.325 44.725 45.100 -0.083 0.000 0.759 98 G HN 0.049 8.398 8.290 0.209 0.066 0.501 99 T N -4.510 110.151 114.554 0.178 0.000 2.910 99 T HA 0.722 5.457 4.350 0.312 -0.197 0.287 99 T C -1.476 173.354 174.700 0.216 0.000 1.050 99 T CA -2.750 59.490 62.100 0.233 0.000 1.011 99 T CB 3.406 72.390 68.868 0.193 0.000 1.195 99 T HN -0.873 7.484 8.240 0.195 0.000 0.540 100 L N -0.637 120.694 121.223 0.181 0.000 2.388 100 L HA 0.418 4.829 4.340 0.118 0.000 0.264 100 L C -2.453 174.467 176.870 0.083 0.000 0.998 100 L CA -1.156 53.759 54.840 0.126 0.000 0.817 100 L CB 4.056 46.188 42.059 0.121 0.000 1.338 100 L HN 0.066 8.356 8.230 0.171 0.042 0.414 101 L N 1.783 123.038 121.223 0.055 0.000 2.470 101 L HA 0.454 4.820 4.340 0.043 0.000 0.268 101 L C -2.633 174.253 176.870 0.026 0.000 0.964 101 L CA -0.584 54.281 54.840 0.043 0.000 0.839 101 L CB 3.151 45.240 42.059 0.049 0.000 1.276 101 L HN -0.197 8.058 8.230 0.042 0.000 0.403 102 L N 3.293 124.532 121.223 0.027 0.000 2.341 102 L HA 0.444 4.802 4.340 0.030 0.000 0.267 102 L C -1.877 175.015 176.870 0.037 0.000 1.009 102 L CA -1.264 53.593 54.840 0.029 0.000 0.819 102 L CB 2.861 44.934 42.059 0.022 0.000 1.323 102 L HN 0.146 8.394 8.230 0.029 0.000 0.425 103 K N 0.848 121.278 120.400 0.049 0.000 2.579 103 K HA 0.384 4.719 4.320 0.026 0.000 0.284 103 K C -2.354 174.267 176.600 0.035 0.000 0.990 103 K CA -1.448 54.861 56.287 0.038 0.000 0.880 103 K CB 4.798 37.321 32.500 0.038 0.000 1.488 103 K HN 0.304 8.591 8.250 0.063 0.000 0.425 104 T N -0.758 113.796 114.554 0.001 0.000 2.908 104 T HA 0.713 5.211 4.350 -0.007 -0.151 0.290 104 T C -0.149 174.502 174.700 -0.082 0.000 1.034 104 T CA -2.198 59.890 62.100 -0.020 0.000 1.010 104 T CB 2.420 71.291 68.868 0.005 0.000 1.068 104 T HN 0.001 8.239 8.240 -0.003 0.000 0.481 105 N N 1.030 119.649 118.700 -0.134 0.000 2.294 105 N HA -0.104 4.516 4.740 -0.199 0.000 0.248 105 N C 1.553 177.014 175.510 -0.082 0.000 1.300 105 N CA 0.190 53.141 53.050 -0.166 0.000 0.925 105 N CB 0.508 38.865 38.487 -0.215 0.000 1.188 105 N HN 0.305 8.620 8.380 -0.108 0.000 0.512 106 A N -0.408 122.370 122.820 -0.071 0.000 1.884 106 A HA -0.225 4.074 4.320 -0.036 0.000 0.219 106 A C 0.853 178.422 177.584 -0.024 0.000 1.197 106 A CA 2.576 54.589 52.037 -0.040 0.000 0.637 106 A CB -0.449 18.530 19.000 -0.035 0.000 0.827 106 A HN 0.424 8.520 8.150 -0.089 0.000 0.450 107 E N -2.716 117.473 120.200 -0.019 0.000 2.435 107 E HA -0.087 4.262 4.350 -0.001 0.000 0.195 107 E C 0.309 176.912 176.600 0.006 0.000 1.029 107 E CA -0.132 56.267 56.400 -0.003 0.000 0.865 107 E CB 0.029 29.731 29.700 0.004 0.000 0.833 107 E HN -0.024 8.320 8.360 -0.027 0.000 0.510 108 G N -1.362 107.438 108.800 0.001 0.000 2.179 108 G HA2 -0.388 3.578 3.960 0.010 0.000 0.260 108 G HA3 -0.388 3.587 3.960 0.025 0.000 0.260 108 G C 0.948 175.876 174.900 0.045 0.000 0.977 108 G CA 1.113 46.224 45.100 0.019 0.000 0.641 108 G HN -0.220 8.006 8.290 -0.018 0.053 0.533 109 T N 2.793 117.374 114.554 0.044 0.000 2.833 109 T HA -0.331 4.074 4.350 0.092 0.000 0.269 109 T C -0.393 174.368 174.700 0.102 0.000 1.054 109 T CA 3.734 65.879 62.100 0.075 0.000 1.135 109 T CB 0.022 68.926 68.868 0.060 0.000 0.869 109 T HN -0.550 7.665 8.240 0.025 0.040 0.466 110 R N 0.910 121.449 120.500 0.065 0.000 2.393 110 R HA 0.641 5.276 4.340 0.172 -0.192 0.315 110 R C -1.701 174.657 176.300 0.097 0.000 0.952 110 R CA -1.199 54.963 56.100 0.102 0.000 0.842 110 R CB 2.645 32.970 30.300 0.041 0.000 1.163 110 R HN -0.074 8.589 8.270 0.016 -0.383 0.450 111 T N 7.254 121.924 114.554 0.193 0.000 2.743 111 T HA 0.398 4.950 4.350 0.121 -0.129 0.292 111 T C -1.258 173.639 174.700 0.329 0.000 0.972 111 T CA 0.510 62.716 62.100 0.177 0.000 0.967 111 T CB 0.955 69.892 68.868 0.115 0.000 0.926 111 T HN 0.082 8.447 8.240 0.207 0.000 0.459 112 Y N 7.494 127.788 120.300 -0.011 0.000 2.328 112 Y HA 0.325 4.990 4.550 -0.038 -0.139 0.333 112 Y C -1.210 174.668 175.900 -0.037 0.000 0.958 112 Y CA -2.082 56.003 58.100 -0.024 0.000 1.167 112 Y CB 1.552 40.009 38.460 -0.006 0.000 1.151 112 Y HN 0.796 9.215 8.280 0.232 0.000 0.470 113 L N -2.484 118.758 121.223 0.031 0.000 2.327 113 L HA 0.876 5.330 4.340 0.016 -0.104 0.258 113 L C -1.913 174.887 176.870 -0.116 0.000 1.024 113 L CA -1.783 53.040 54.840 -0.029 0.000 0.825 113 L CB 4.669 46.699 42.059 -0.048 0.000 1.386 113 L HN -0.094 8.106 8.230 -0.050 0.000 0.417 114 K N -1.802 118.535 120.400 -0.106 0.000 2.507 114 K HA 0.432 4.644 4.320 -0.292 -0.067 0.252 114 K C -1.613 174.904 176.600 -0.139 0.000 0.943 114 K CA -1.462 54.733 56.287 -0.152 0.000 0.808 114 K CB 2.293 34.778 32.500 -0.026 0.000 1.142 114 K HN 0.356 8.574 8.250 -0.053 0.000 0.426 115 S N 5.031 120.554 115.700 -0.294 0.000 2.404 115 S HA -0.031 4.444 4.470 0.008 0.000 0.309 115 S C -0.598 174.116 174.600 0.189 0.000 1.076 115 S CA -0.740 57.406 58.200 -0.091 0.000 1.095 115 S CB 0.313 63.392 63.200 -0.203 0.000 0.972 115 S HN 0.273 8.168 8.310 -0.691 0.000 0.484 116 F N 7.176 127.148 119.950 0.037 0.000 2.184 116 F HA -0.437 4.270 4.527 0.023 -0.167 0.319 116 F C -1.809 174.064 175.800 0.122 0.000 1.088 116 F CA 1.148 59.184 58.000 0.061 0.000 1.118 116 F CB -0.705 38.324 39.000 0.049 0.000 1.600 116 F HN 0.147 8.579 8.300 0.220 0.000 0.769 117 E N 5.750 125.800 120.200 -0.251 0.000 2.303 117 E HA 0.392 4.632 4.350 -0.183 0.000 0.254 117 E C -2.353 173.983 176.600 -0.440 0.000 0.979 117 E CA -1.786 54.469 56.400 -0.241 0.000 0.843 117 E CB 3.038 32.714 29.700 -0.040 0.000 1.245 117 E HN 0.260 8.416 8.360 -0.163 0.106 0.413 118 A N -2.553 120.085 122.820 -0.303 0.000 3.827 118 A HA 0.330 4.471 4.320 -0.298 0.000 0.199 118 A C -2.431 175.085 177.584 -0.113 0.000 0.867 118 A CA -1.039 50.835 52.037 -0.271 0.000 0.776 118 A CB 1.677 20.472 19.000 -0.341 0.000 1.446 118 A HN -0.284 7.737 8.150 -0.215 0.000 0.768 119 D N -0.959 119.381 120.400 -0.101 0.000 2.339 119 D HA -0.060 4.572 4.640 -0.013 0.000 0.245 119 D C 1.170 177.426 176.300 -0.074 0.000 1.115 119 D CA 0.323 54.290 54.000 -0.054 0.000 0.917 119 D CB 1.868 42.639 40.800 -0.047 0.000 1.192 119 D HN 0.053 8.338 8.370 -0.142 0.000 0.428 120 A N 0.889 123.683 122.820 -0.044 0.000 2.178 120 A HA -0.275 4.022 4.320 -0.038 0.000 0.218 120 A C 0.446 178.000 177.584 -0.051 0.000 1.157 120 A CA 2.606 54.620 52.037 -0.038 0.000 0.689 120 A CB -0.296 18.693 19.000 -0.018 0.000 0.787 120 A HN 0.462 8.597 8.150 -0.026 0.000 0.465 121 E N -4.263 115.899 120.200 -0.063 0.000 2.434 121 E HA 0.020 4.335 4.350 -0.058 0.000 0.207 121 E C 0.731 177.270 176.600 -0.101 0.000 0.929 121 E CA -0.035 56.325 56.400 -0.067 0.000 1.001 121 E CB 0.439 30.110 29.700 -0.049 0.000 1.016 121 E HN 0.016 8.262 8.360 -0.065 0.075 0.502 122 G N 0.848 109.568 108.800 -0.132 0.000 2.551 122 G HA2 -0.148 3.717 3.960 -0.160 0.000 0.214 122 G HA3 -0.148 3.697 3.960 -0.192 0.000 0.214 122 G C -0.969 173.749 174.900 -0.303 0.000 1.250 122 G CA 0.301 45.288 45.100 -0.189 0.000 0.825 122 G HN -0.420 7.683 8.290 -0.117 0.117 0.549 123 R N -3.523 116.757 120.500 -0.368 0.000 3.513 123 R HA 0.110 4.210 4.340 -0.400 0.000 0.243 123 R C -2.394 173.683 176.300 -0.371 0.000 1.033 123 R CA -0.369 55.396 56.100 -0.558 0.000 1.083 123 R CB 1.108 30.547 30.300 -1.435 0.000 1.246 123 R HN -0.375 7.727 8.270 -0.280 0.000 0.526 124 R N 0.945 121.343 120.500 -0.170 0.000 2.483 124 R HA 0.417 4.723 4.340 -0.056 0.000 0.303 124 R C -2.233 174.168 176.300 0.168 0.000 0.987 124 R CA -1.669 54.419 56.100 -0.019 0.000 0.881 124 R CB 3.806 34.101 30.300 -0.009 0.000 1.177 124 R HN 0.226 8.433 8.270 -0.105 0.000 0.451 125 F N 5.594 125.570 119.950 0.043 0.000 2.445 125 F HA 0.028 4.646 4.527 0.151 0.000 0.359 125 F C -1.363 174.453 175.800 0.026 0.000 1.101 125 F CA -1.801 56.256 58.000 0.096 0.000 1.177 125 F CB 0.925 39.999 39.000 0.122 0.000 1.110 125 F HN 0.442 8.894 8.300 0.254 0.000 0.522 126 E N 7.122 127.542 120.200 0.367 0.000 2.321 126 E HA 0.284 4.761 4.350 -0.066 -0.167 0.278 126 E C -2.481 174.111 176.600 -0.014 0.000 0.902 126 E CA -1.449 54.984 56.400 0.054 0.000 0.758 126 E CB 3.782 33.501 29.700 0.032 0.000 1.213 126 E HN -0.026 8.677 8.360 0.571 0.000 0.426 127 V N 2.513 122.300 119.914 -0.212 0.000 3.019 127 V HA 0.250 4.260 4.120 -0.183 0.000 0.317 127 V C -1.950 173.818 176.094 -0.544 0.000 1.094 127 V CA -2.379 59.752 62.300 -0.281 0.000 1.000 127 V CB 3.891 35.531 31.823 -0.305 0.000 1.060 127 V HN -0.229 7.812 8.190 -0.249 0.000 0.443 128 A N 1.992 124.516 122.820 -0.493 0.000 2.335 128 A HA 0.432 4.095 4.320 -1.096 0.000 0.304 128 A C -2.813 174.691 177.584 -0.134 0.000 1.118 128 A CA -1.406 50.276 52.037 -0.592 0.000 0.757 128 A CB 2.591 21.294 19.000 -0.495 0.000 1.188 128 A HN 0.224 8.192 8.150 -0.304 0.000 0.460 129 L N 3.932 125.180 121.223 0.042 0.000 2.313 129 L HA 0.420 4.783 4.340 0.039 0.000 0.283 129 L C -2.209 174.768 176.870 0.178 0.000 1.013 129 L CA -0.778 54.108 54.840 0.076 0.000 0.816 129 L CB 3.281 45.348 42.059 0.014 0.000 1.236 129 L HN -0.192 8.146 8.230 0.181 0.000 0.419 130 D N 6.694 127.193 120.400 0.166 0.000 2.427 130 D HA 0.246 4.994 4.640 0.180 0.000 0.226 130 D C -0.635 175.796 176.300 0.219 0.000 1.076 130 D CA -0.689 53.416 54.000 0.175 0.000 0.849 130 D CB 2.898 43.779 40.800 0.135 0.000 1.052 130 D HN 0.371 8.718 8.370 0.140 0.106 0.515 131 G N 3.293 112.235 108.800 0.237 0.000 2.547 131 G HA2 0.211 4.409 3.960 0.396 0.000 0.291 131 G HA3 0.211 4.394 3.960 0.292 -0.047 0.291 131 G C -1.545 173.464 174.900 0.182 0.000 1.211 131 G CA -0.711 44.558 45.100 0.282 0.000 0.950 131 G HN 0.331 8.742 8.290 0.202 0.000 0.504 132 D N 0.229 120.723 120.400 0.157 0.000 2.464 132 D HA 0.096 4.824 4.640 0.147 0.000 0.272 132 D C -0.146 176.306 176.300 0.253 0.000 1.224 132 D CA 0.914 55.015 54.000 0.169 0.000 1.118 132 D CB 2.279 43.159 40.800 0.132 0.000 1.710 132 D HN -0.302 8.152 8.370 0.139 0.000 0.479 133 H N -0.329 118.713 119.070 -0.046 0.000 3.352 133 H HA 0.136 4.665 4.556 -0.046 0.000 0.258 133 H C 0.050 175.330 175.328 -0.079 0.000 1.429 133 H CA 0.237 56.238 56.048 -0.079 0.000 1.923 133 H CB 1.495 31.180 29.762 -0.128 0.000 1.517 133 H HN -0.614 7.722 8.280 0.093 0.000 0.639 134 T N 0.408 114.966 114.554 0.007 0.000 2.749 134 T HA 0.012 4.375 4.350 0.022 0.000 0.295 134 T C 0.290 174.995 174.700 0.009 0.000 0.936 134 T CA 0.370 62.459 62.100 -0.019 0.000 1.060 134 T CB -0.006 68.837 68.868 -0.042 0.000 0.904 134 T HN 0.013 8.243 8.240 -0.017 0.000 0.500 135 G N 1.276 110.157 108.800 0.134 0.000 3.440 135 G HA2 -0.119 4.117 3.960 0.460 0.000 0.263 135 G HA3 -0.119 3.969 3.960 0.215 0.000 0.263 135 G C -1.848 173.223 174.900 0.285 0.000 1.236 135 G CA -0.342 44.923 45.100 0.276 0.000 0.927 135 G HN 0.322 8.672 8.290 0.100 0.000 0.530 136 D N -2.157 118.396 120.400 0.255 0.000 2.481 136 D HA 0.126 4.872 4.640 0.177 0.000 0.244 136 D C -1.466 174.987 176.300 0.254 0.000 1.057 136 D CA -0.718 53.402 54.000 0.199 0.000 0.848 136 D CB 2.260 43.126 40.800 0.110 0.000 1.388 136 D HN -0.652 7.740 8.370 0.202 0.100 0.475 137 L N 1.696 123.032 121.223 0.190 0.000 2.322 137 L HA 0.251 4.738 4.340 0.245 0.000 0.269 137 L C -1.662 175.267 176.870 0.099 0.000 1.012 137 L CA -0.509 54.433 54.840 0.170 0.000 0.815 137 L CB 2.083 44.204 42.059 0.102 0.000 1.295 137 L HN 0.155 8.467 8.230 0.136 0.000 0.438 138 S N 0.902 116.653 115.700 0.086 0.000 2.752 138 S HA 0.114 4.607 4.470 0.038 0.000 0.284 138 S C -0.070 174.562 174.600 0.054 0.000 1.189 138 S CA -0.860 57.372 58.200 0.055 0.000 0.835 138 S CB 2.229 65.459 63.200 0.050 0.000 1.192 138 S HN -0.273 8.098 8.310 0.101 0.000 0.506 139 A N -0.001 122.841 122.820 0.036 0.000 2.076 139 A HA -0.186 4.143 4.320 0.015 0.000 0.220 139 A C 0.733 178.384 177.584 0.111 0.000 1.160 139 A CA 2.530 54.587 52.037 0.033 0.000 0.653 139 A CB -0.477 18.512 19.000 -0.019 0.000 0.801 139 A HN 0.318 8.483 8.150 0.025 0.000 0.455 140 A N -3.910 118.975 122.820 0.109 0.000 1.956 140 A HA 0.002 4.431 4.320 0.181 0.000 0.212 140 A C 0.759 178.401 177.584 0.096 0.000 1.188 140 A CA 1.283 53.394 52.037 0.123 0.000 0.675 140 A CB -0.032 19.020 19.000 0.088 0.000 0.845 140 A HN -0.253 7.894 8.150 0.081 0.052 0.455 141 N N -2.428 116.326 118.700 0.090 0.000 2.520 141 N HA -0.182 4.606 4.740 0.080 0.000 0.185 141 N C -0.893 174.663 175.510 0.078 0.000 1.068 141 N CA 1.568 54.676 53.050 0.096 0.000 0.911 141 N CB 0.540 39.119 38.487 0.154 0.000 0.961 141 N HN -0.103 8.255 8.380 0.089 0.076 0.446 142 V N -3.923 116.042 119.914 0.085 0.000 2.914 142 V HA 0.302 4.634 4.120 0.069 -0.170 0.314 142 V C -1.257 174.909 176.094 0.120 0.000 1.084 142 V CA -1.912 60.438 62.300 0.083 0.000 0.963 142 V CB 3.427 35.289 31.823 0.066 0.000 1.025 142 V HN -0.867 7.310 8.190 0.099 0.072 0.432 143 V N 2.173 122.156 119.914 0.115 0.000 2.901 143 V HA -0.221 3.978 4.120 0.132 0.000 0.307 143 V C 0.298 176.533 176.094 0.234 0.000 1.084 143 V CA 1.543 63.931 62.300 0.146 0.000 1.184 143 V CB 1.157 33.045 31.823 0.109 0.000 0.941 143 V HN -0.211 8.037 8.190 0.097 0.000 0.493 144 F N 7.307 127.264 119.950 0.012 0.000 2.250 144 F HA -0.252 4.278 4.527 0.005 0.000 0.301 144 F C 0.438 176.243 175.800 0.009 0.000 1.077 144 F CA 0.673 58.678 58.000 0.008 0.000 1.348 144 F CB -0.008 38.996 39.000 0.006 0.000 1.040 144 F HN 0.225 8.738 8.300 0.355 0.000 0.509 145 A N -3.096 119.830 122.820 0.177 0.000 2.560 145 A HA -0.373 4.007 4.320 0.099 0.000 0.299 145 A C -1.098 176.527 177.584 0.069 0.000 1.484 145 A CA 0.269 52.364 52.037 0.096 0.000 0.749 145 A CB -1.395 17.642 19.000 0.061 0.000 1.072 145 A HN 0.096 8.334 8.150 0.209 0.038 0.426 146 A N -3.912 118.974 122.820 0.109 0.000 2.799 146 A HA -0.296 4.106 4.320 0.136 0.000 0.287 146 A C -0.182 177.421 177.584 0.031 0.000 1.484 146 A CA 0.803 52.893 52.037 0.089 0.000 0.813 146 A CB -1.349 17.689 19.000 0.063 0.000 1.009 146 A HN 0.222 8.466 8.150 0.157 0.000 0.545 147 T N 0.392 114.920 114.554 -0.042 0.000 2.667 147 T HA -0.089 4.192 4.350 -0.115 0.000 0.305 147 T C 0.996 175.617 174.700 -0.131 0.000 1.022 147 T CA 0.979 62.980 62.100 -0.166 0.000 0.995 147 T CB 1.151 69.799 68.868 -0.366 0.000 1.026 147 T HN -0.507 7.568 8.240 -0.018 0.155 0.527 148 G N 0.626 109.338 108.800 -0.147 0.000 2.588 148 G HA2 0.049 3.992 3.960 -0.028 0.000 0.281 148 G HA3 0.049 3.966 3.960 -0.072 0.000 0.281 148 G C -0.516 174.337 174.900 -0.077 0.000 1.236 148 G CA -0.456 44.597 45.100 -0.079 0.000 0.969 148 G HN -0.038 8.148 8.290 -0.175 0.000 0.504 149 T N -1.989 112.561 114.554 -0.007 0.000 2.689 149 T HA -0.077 4.332 4.350 0.098 0.000 0.308 149 T C -0.522 174.180 174.700 0.003 0.000 1.021 149 T CA -0.169 61.953 62.100 0.036 0.000 0.973 149 T CB 0.834 69.726 68.868 0.039 0.000 1.113 149 T HN -0.315 7.922 8.240 -0.004 0.000 0.522 150 T N 1.323 115.897 114.554 0.032 0.000 3.823 150 T HA 0.266 4.612 4.350 -0.007 0.000 0.261 150 T C -0.354 174.359 174.700 0.023 0.000 0.983 150 T CA 0.057 62.168 62.100 0.017 0.000 1.151 150 T CB -0.364 68.520 68.868 0.026 0.000 1.062 150 T HN -0.064 8.211 8.240 0.057 0.000 0.542 151 T N 5.011 119.575 114.554 0.017 0.000 3.473 151 T HA 0.011 4.373 4.350 0.019 0.000 0.247 151 T C -0.414 174.290 174.700 0.008 0.000 1.010 151 T CA 0.130 62.239 62.100 0.015 0.000 0.940 151 T CB -0.493 68.384 68.868 0.015 0.000 1.068 151 T HN -0.074 8.174 8.240 0.014 0.000 0.604 152 E N 2.176 122.379 120.200 0.005 0.000 2.319 152 E HA 0.058 4.407 4.350 -0.001 0.000 0.268 152 E C -0.796 175.806 176.600 0.003 0.000 1.050 152 E CA -0.844 55.556 56.400 0.001 0.000 0.878 152 E CB 0.701 30.398 29.700 -0.004 0.000 1.066 152 E HN -0.436 7.790 8.360 0.008 0.138 0.406 153 L N 1.263 122.487 121.223 0.001 0.000 2.475 153 L HA 0.293 4.635 4.340 0.003 0.000 0.253 153 L C -0.512 176.358 176.870 0.000 0.000 1.483 153 L CA 0.593 55.434 54.840 0.002 0.000 0.869 153 L CB -0.085 41.976 42.059 0.003 0.000 1.086 153 L HN 0.225 8.455 8.230 -0.000 0.000 0.514 154 E N 1.316 121.516 120.200 -0.001 0.000 3.846 154 E HA 0.141 4.490 4.350 -0.002 0.000 0.216 154 E C -1.794 174.805 176.600 -0.001 0.000 1.092 154 E CA -0.153 56.246 56.400 -0.002 0.000 1.370 154 E CB -0.013 29.684 29.700 -0.004 0.000 1.227 154 E HN 0.327 8.686 8.360 -0.000 0.000 0.442 155 V N -0.576 119.338 119.914 -0.000 0.000 3.007 155 V HA 0.367 4.487 4.120 -0.000 0.000 0.311 155 V C -1.386 174.708 176.094 0.001 0.000 1.120 155 V CA -1.175 61.126 62.300 0.000 0.000 0.980 155 V CB 2.181 34.005 31.823 0.002 0.000 1.033 155 V HN -0.442 7.748 8.190 0.000 0.000 0.429 156 L N 5.510 126.734 121.223 0.000 0.000 2.356 156 L HA 0.113 4.454 4.340 0.000 0.000 0.264 156 L C -0.207 176.663 176.870 0.001 0.000 1.029 156 L CA -0.149 54.691 54.840 0.000 0.000 0.897 156 L CB -0.737 41.322 42.059 -0.000 0.000 1.256 156 L HN 0.631 8.861 8.230 0.000 0.000 0.444 157 G N 3.698 112.498 108.800 0.001 0.000 2.792 157 G HA2 -0.221 3.739 3.960 0.001 0.000 0.201 157 G HA3 -0.221 3.739 3.960 0.001 0.000 0.201 157 G C -1.207 173.694 174.900 0.002 0.000 1.322 157 G CA -0.214 44.887 45.100 0.001 0.000 0.910 157 G HN 0.342 8.632 8.290 0.001 0.000 0.535 158 D N 1.484 121.886 120.400 0.002 0.000 2.567 158 D HA 0.325 4.967 4.640 0.003 0.000 0.275 158 D C -1.635 174.668 176.300 0.004 0.000 1.195 158 D CA -0.438 53.564 54.000 0.003 0.000 1.087 158 D CB 2.245 43.047 40.800 0.003 0.000 1.165 158 D HN -0.153 8.162 8.370 0.002 0.055 0.609 159 S N -1.648 114.055 115.700 0.006 0.000 2.627 159 S HA 0.254 4.727 4.470 0.006 0.000 0.283 159 S C -1.245 173.361 174.600 0.010 0.000 1.127 159 S CA -0.536 57.668 58.200 0.007 0.000 0.863 159 S CB 2.170 65.375 63.200 0.009 0.000 1.121 159 S HN 0.009 8.323 8.310 0.006 0.000 0.479 160 G N 0.673 109.480 108.800 0.011 0.000 2.352 160 G HA2 -0.066 3.906 3.960 0.020 0.000 0.305 160 G HA3 -0.066 3.902 3.960 0.013 0.000 0.305 160 G C -1.613 173.293 174.900 0.010 0.000 1.537 160 G CA 0.185 45.294 45.100 0.014 0.000 0.959 160 G HN 0.006 8.302 8.290 0.010 0.000 0.668 161 T N -0.333 114.228 114.554 0.012 0.000 3.439 161 T HA -0.066 4.281 4.350 -0.005 0.000 0.251 161 T C -0.497 174.197 174.700 -0.010 0.000 1.108 161 T CA 0.624 62.724 62.100 -0.001 0.000 0.982 161 T CB 0.024 68.893 68.868 0.002 0.000 1.024 161 T HN -0.052 8.202 8.240 0.022 0.000 0.573 162 Q N 1.240 121.037 119.800 -0.004 0.000 2.374 162 Q HA 0.058 4.390 4.340 -0.013 0.000 0.250 162 Q C -1.469 174.528 176.000 -0.004 0.000 0.918 162 Q CA -0.486 55.313 55.803 -0.006 0.000 0.778 162 Q CB 1.466 30.203 28.738 -0.001 0.000 1.328 162 Q HN -0.812 7.348 8.270 0.001 0.110 0.445 163 A N 5.805 128.620 122.820 -0.007 0.000 2.511 163 A HA 0.044 4.361 4.320 -0.004 0.000 0.242 163 A C -0.129 177.453 177.584 -0.004 0.000 1.069 163 A CA 0.730 52.764 52.037 -0.005 0.000 0.763 163 A CB 0.320 19.316 19.000 -0.008 0.000 1.001 163 A HN 0.229 8.372 8.150 -0.011 0.000 0.498 164 G N -0.466 108.332 108.800 -0.002 0.000 2.368 164 G HA2 0.045 4.004 3.960 -0.001 0.000 0.293 164 G HA3 0.045 4.005 3.960 0.000 0.000 0.293 164 G C -2.251 172.649 174.900 -0.000 0.000 1.467 164 G CA 0.279 45.379 45.100 -0.001 0.000 0.804 164 G HN -0.081 8.208 8.290 -0.002 0.000 0.535 165 A N -0.082 122.738 122.820 0.000 0.000 2.599 165 A HA 0.500 4.820 4.320 0.000 0.000 0.290 165 A C -1.551 176.033 177.584 0.000 0.000 1.101 165 A CA -0.046 51.991 52.037 0.000 0.000 0.674 165 A CB 2.041 21.041 19.000 -0.000 0.000 1.277 165 A HN -0.112 8.039 8.150 0.000 0.000 0.419 166 I N 1.579 122.149 120.570 -0.000 0.000 2.418 166 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 166 I C -0.935 175.182 176.117 -0.001 0.000 1.008 166 I CA 0.010 61.310 61.300 -0.000 0.000 1.104 166 I CB 0.281 38.281 38.000 -0.000 0.000 1.264 166 I HN 0.216 8.426 8.210 -0.000 0.000 0.438 167 V N 0.000 119.914 119.914 -0.001 0.000 2.409 167 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 167 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 167 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 167 V HN 0.000 8.190 8.190 -0.000 0.000 0.556