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 1q80_1_A DATA FIRST_RESID 1 DATA SEQUENCE SDLWVQKMKT YFNRIDFDKD GAITRMDFES MAERFAKESE MKAEHAKVLM DATA SEQUENCE DSLTGVWDNF LTAVAGGKGI DETTFINSMK EMVKNPEAKS VVEGPLPLFF DATA SEQUENCE RAVDTNEDNN ISRDEYGIFF GMLGLDKTMA PASFDAIDTN NDGLLSLEEF DATA SEQUENCE VIAGSDFFMN DGDSTNKVFW GPLV 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 S HA 0.000 4.498 4.470 0.047 0.000 0.327 1 S C 0.000 174.670 174.600 0.117 0.000 1.055 1 S CA 0.000 58.242 58.200 0.071 0.000 1.107 1 S CB 0.000 63.257 63.200 0.094 0.000 0.593 2 D N 8.508 128.954 120.400 0.077 0.000 2.104 2 D HA -0.278 4.405 4.640 0.071 0.000 0.194 2 D C 1.662 178.003 176.300 0.069 0.000 0.994 2 D CA 3.494 57.535 54.000 0.068 0.000 0.830 2 D CB -0.060 40.765 40.800 0.042 0.000 0.959 2 D HN 0.516 8.918 8.370 0.054 0.000 0.452 3 L N -1.340 119.920 121.223 0.062 0.000 2.012 3 L HA -0.360 3.982 4.340 0.004 0.000 0.210 3 L C 1.780 178.653 176.870 0.005 0.000 1.073 3 L CA 2.670 57.526 54.840 0.026 0.000 0.748 3 L CB -0.200 41.870 42.059 0.019 0.000 0.891 3 L HN -0.331 7.938 8.230 0.065 0.000 0.431 4 W N -0.326 120.933 121.300 -0.069 0.000 2.354 4 W HA -0.401 4.181 4.660 -0.131 0.000 0.315 4 W C 2.211 178.700 176.519 -0.049 0.000 1.206 4 W CA 4.419 61.715 57.345 -0.082 0.000 1.290 4 W CB 0.222 29.642 29.460 -0.066 0.000 1.152 4 W HN -0.679 7.651 8.180 0.228 -0.012 0.489 5 V N -1.198 118.897 119.914 0.302 0.000 2.332 5 V HA -0.720 3.566 4.120 0.278 0.000 0.248 5 V C 1.877 177.994 176.094 0.038 0.000 1.055 5 V CA 4.021 66.441 62.300 0.201 0.000 1.038 5 V CB -0.179 31.761 31.823 0.194 0.000 0.651 5 V HN -0.001 8.379 8.190 0.317 0.000 0.450 6 Q N -1.080 118.725 119.800 0.009 0.000 2.020 6 Q HA -0.379 3.970 4.340 0.015 0.000 0.202 6 Q C 2.426 178.396 176.000 -0.051 0.000 0.982 6 Q CA 3.837 59.635 55.803 -0.008 0.000 0.838 6 Q CB -0.100 28.641 28.738 0.005 0.000 0.899 6 Q HN -0.062 8.230 8.270 0.036 0.000 0.423 7 K N -0.599 119.698 120.400 -0.172 0.000 2.057 7 K HA -0.148 4.169 4.320 -0.005 0.000 0.206 7 K C 2.561 179.009 176.600 -0.254 0.000 1.050 7 K CA 2.738 58.861 56.287 -0.272 0.000 0.935 7 K CB -0.205 31.893 32.500 -0.669 0.000 0.715 7 K HN -0.074 8.054 8.250 -0.204 0.000 0.439 8 M N -0.616 118.721 119.600 -0.439 0.000 2.175 8 M HA -0.250 4.210 4.480 -0.033 0.000 0.264 8 M C 2.288 178.662 176.300 0.124 0.000 1.063 8 M CA 3.187 58.352 55.300 -0.224 0.000 1.119 8 M CB -0.386 31.701 32.600 -0.855 0.000 1.377 8 M HN 0.046 7.982 8.290 -0.589 0.000 0.415 9 K N -0.325 120.115 120.400 0.067 0.000 2.097 9 K HA -0.352 4.074 4.320 0.176 0.000 0.206 9 K C 2.297 178.942 176.600 0.076 0.000 1.049 9 K CA 3.624 59.976 56.287 0.108 0.000 0.933 9 K CB -0.228 32.312 32.500 0.066 0.000 0.717 9 K HN 0.061 8.301 8.250 -0.017 0.000 0.442 10 T N 2.483 117.073 114.554 0.059 0.000 2.607 10 T HA -0.396 3.964 4.350 0.016 0.000 0.267 10 T C 1.457 176.126 174.700 -0.052 0.000 1.049 10 T CA 4.697 66.830 62.100 0.055 0.000 1.162 10 T CB -0.427 68.548 68.868 0.178 0.000 0.863 10 T HN -0.099 8.171 8.240 0.049 0.000 0.424 11 Y N 3.076 123.254 120.300 -0.203 0.000 2.128 11 Y HA -0.473 3.406 4.550 -1.117 0.000 0.284 11 Y C 1.532 177.139 175.900 -0.488 0.000 1.154 11 Y CA 3.365 61.094 58.100 -0.618 0.000 1.149 11 Y CB -0.277 37.862 38.460 -0.536 0.000 0.976 11 Y HN -0.234 8.157 8.280 0.186 0.000 0.505 12 F N -0.294 119.305 119.950 -0.586 0.000 2.069 12 F HA -0.579 3.383 4.527 -0.942 0.000 0.298 12 F C 1.436 176.970 175.800 -0.443 0.000 1.113 12 F CA 4.402 62.026 58.000 -0.628 0.000 1.214 12 F CB 0.092 38.876 39.000 -0.359 0.000 0.978 12 F HN 0.035 8.323 8.300 -0.020 0.000 0.474 13 N N -3.305 115.326 118.700 -0.115 0.000 2.223 13 N HA -0.347 4.338 4.740 -0.092 0.000 0.185 13 N C 1.503 176.854 175.510 -0.265 0.000 1.016 13 N CA 3.171 56.144 53.050 -0.128 0.000 0.863 13 N CB 0.018 38.489 38.487 -0.026 0.000 0.983 13 N HN -0.197 8.190 8.380 0.011 0.000 0.429 14 R N -2.715 117.582 120.500 -0.339 0.000 2.093 14 R HA -0.112 4.077 4.340 -0.251 0.000 0.224 14 R C 1.482 177.557 176.300 -0.374 0.000 1.101 14 R CA 1.116 57.025 56.100 -0.318 0.000 0.979 14 R CB 0.110 30.268 30.300 -0.235 0.000 0.877 14 R HN -0.232 7.829 8.270 -0.349 0.000 0.441 15 I N -1.570 118.607 120.570 -0.654 0.000 2.617 15 I HA -0.159 3.820 4.170 -0.317 0.000 0.256 15 I C 0.288 176.114 176.117 -0.486 0.000 1.167 15 I CA -0.408 60.534 61.300 -0.597 0.000 1.469 15 I CB 0.829 38.258 38.000 -0.952 0.000 1.098 15 I HN 0.194 7.880 8.210 -0.872 0.000 0.436 16 D N 1.260 121.319 120.400 -0.569 0.000 2.745 16 D HA -0.086 4.303 4.640 -0.418 0.000 0.229 16 D C 0.650 176.846 176.300 -0.173 0.000 1.088 16 D CA -1.147 52.598 54.000 -0.426 0.000 1.054 16 D CB -1.964 38.514 40.800 -0.537 0.000 1.132 16 D HN -0.258 7.686 8.370 -0.709 0.000 0.464 17 F N 4.981 124.765 119.950 -0.277 0.000 2.146 17 F HA -0.244 4.192 4.527 -0.152 0.000 0.298 17 F C 0.719 176.438 175.800 -0.135 0.000 1.096 17 F CA 2.709 60.603 58.000 -0.176 0.000 1.275 17 F CB 0.489 39.399 39.000 -0.149 0.000 1.008 17 F HN 0.242 8.398 8.300 -0.070 0.102 0.480 18 D N -3.182 117.287 120.400 0.115 0.000 2.350 18 D HA -0.228 4.472 4.640 0.100 0.000 0.216 18 D C 0.254 176.556 176.300 0.005 0.000 0.968 18 D CA 0.919 54.947 54.000 0.045 0.000 0.894 18 D CB 0.196 40.972 40.800 -0.041 0.000 0.909 18 D HN 0.067 8.444 8.370 0.012 0.000 0.520 19 K N -2.972 117.412 120.400 -0.026 0.000 3.472 19 K HA -0.327 3.965 4.320 -0.046 0.000 0.315 19 K C 0.063 176.651 176.600 -0.021 0.000 1.320 19 K CA 1.313 57.581 56.287 -0.032 0.000 0.962 19 K CB -1.809 30.675 32.500 -0.027 0.000 1.251 19 K HN -0.545 7.608 8.250 -0.035 0.077 0.443 20 D N -0.551 119.834 120.400 -0.026 0.000 2.309 20 D HA -0.119 4.518 4.640 -0.006 0.000 0.212 20 D C 0.878 177.188 176.300 0.016 0.000 0.968 20 D CA 1.071 55.064 54.000 -0.011 0.000 0.882 20 D CB 0.344 41.127 40.800 -0.027 0.000 0.918 20 D HN -0.269 8.152 8.370 -0.044 -0.077 0.503 21 G N -0.553 108.266 108.800 0.031 0.000 2.176 21 G HA2 -0.384 3.761 3.960 0.139 0.000 0.232 21 G HA3 -0.384 3.635 3.960 0.098 0.000 0.232 21 G C -1.784 173.240 174.900 0.207 0.000 0.986 21 G CA -0.108 45.058 45.100 0.110 0.000 0.643 21 G HN -0.515 7.989 8.290 -0.007 -0.218 0.522 22 A N -1.651 121.237 122.820 0.114 0.000 2.515 22 A HA 0.573 5.248 4.320 0.378 -0.128 0.298 22 A C -1.893 175.684 177.584 -0.012 0.000 1.059 22 A CA -1.531 50.602 52.037 0.160 0.000 0.698 22 A CB 3.120 22.199 19.000 0.131 0.000 1.289 22 A HN -0.786 7.432 8.150 0.027 -0.052 0.404 23 I N 1.104 121.683 120.570 0.016 0.000 2.363 23 I HA 0.186 4.369 4.170 -0.172 -0.116 0.292 23 I C -0.078 176.035 176.117 -0.007 0.000 1.075 23 I CA -1.410 59.875 61.300 -0.026 0.000 1.333 23 I CB -2.153 35.864 38.000 0.029 0.000 1.415 23 I HN 0.615 8.842 8.210 0.211 0.109 0.502 24 T N 5.345 119.720 114.554 -0.300 0.000 2.778 24 T HA 0.443 3.680 4.350 -1.854 0.000 0.293 24 T C -0.002 174.102 174.700 -0.992 0.000 1.144 24 T CA -2.726 58.818 62.100 -0.927 0.000 1.010 24 T CB 3.019 71.598 68.868 -0.482 0.000 1.325 24 T HN 0.780 9.343 8.240 -0.171 -0.425 0.515 25 R N 0.929 120.621 120.500 -1.348 0.000 2.139 25 R HA -0.371 3.610 4.340 -0.599 0.000 0.243 25 R C 1.865 178.017 176.300 -0.246 0.000 1.145 25 R CA 4.055 59.724 56.100 -0.718 0.000 0.976 25 R CB -0.154 29.823 30.300 -0.538 0.000 0.866 25 R HN 0.660 7.860 8.270 -1.783 0.000 0.449 26 M N -3.016 116.438 119.600 -0.244 0.000 2.080 26 M HA -0.426 3.987 4.480 -0.112 0.000 0.260 26 M C 1.434 177.649 176.300 -0.142 0.000 1.068 26 M CA 4.413 59.624 55.300 -0.148 0.000 1.109 26 M CB -0.310 32.212 32.600 -0.131 0.000 1.342 26 M HN -0.214 7.824 8.290 -0.340 0.049 0.405 27 D N -0.302 119.990 120.400 -0.179 0.000 2.104 27 D HA -0.321 4.197 4.640 -0.204 0.000 0.194 27 D C 2.122 178.195 176.300 -0.378 0.000 0.994 27 D CA 3.023 56.869 54.000 -0.257 0.000 0.830 27 D CB -0.782 39.836 40.800 -0.304 0.000 0.959 27 D HN -0.502 7.749 8.370 -0.198 0.000 0.452 28 F N -0.125 119.753 119.950 -0.120 0.000 2.102 28 F HA -0.354 4.115 4.527 -0.098 0.000 0.298 28 F C 2.605 178.325 175.800 -0.134 0.000 1.105 28 F CA 4.426 62.370 58.000 -0.092 0.000 1.239 28 F CB 0.036 39.043 39.000 0.011 0.000 0.991 28 F HN -0.844 7.431 8.300 -0.042 0.000 0.474 29 E N -0.783 119.421 120.200 0.007 0.000 2.047 29 E HA -0.509 3.833 4.350 -0.014 0.000 0.191 29 E C 2.311 178.853 176.600 -0.097 0.000 0.987 29 E CA 3.513 59.893 56.400 -0.033 0.000 0.799 29 E CB -0.264 29.426 29.700 -0.017 0.000 0.752 29 E HN 0.082 8.458 8.360 0.027 0.000 0.449 30 S N 0.936 116.558 115.700 -0.130 0.000 2.359 30 S HA -0.392 4.026 4.470 -0.088 0.000 0.224 30 S C 2.061 176.475 174.600 -0.310 0.000 1.035 30 S CA 3.338 61.451 58.200 -0.146 0.000 1.018 30 S CB -0.024 63.117 63.200 -0.099 0.000 0.876 30 S HN 0.228 8.359 8.310 -0.123 0.105 0.448 31 M N 1.660 120.918 119.600 -0.571 0.000 2.080 31 M HA -0.426 2.851 4.480 -2.005 0.000 0.260 31 M C 1.269 177.268 176.300 -0.502 0.000 1.068 31 M CA 3.368 58.032 55.300 -1.061 0.000 1.109 31 M CB 0.038 32.039 32.600 -0.999 0.000 1.342 31 M HN 0.204 8.113 8.290 -0.448 0.112 0.405 32 A N -0.669 121.986 122.820 -0.275 0.000 1.859 32 A HA -0.504 3.729 4.320 -0.144 0.000 0.217 32 A C 1.729 179.299 177.584 -0.023 0.000 1.198 32 A CA 3.497 55.460 52.037 -0.123 0.000 0.629 32 A CB -1.047 17.907 19.000 -0.076 0.000 0.830 32 A HN 0.053 8.045 8.150 -0.263 0.000 0.446 33 E N -1.825 118.356 120.200 -0.032 0.000 2.077 33 E HA -0.374 3.999 4.350 0.039 0.000 0.193 33 E C 2.671 179.298 176.600 0.044 0.000 0.989 33 E CA 2.959 59.367 56.400 0.014 0.000 0.800 33 E CB 0.031 29.734 29.700 0.004 0.000 0.746 33 E HN -0.528 7.792 8.360 -0.066 0.000 0.452 34 R N -0.670 119.845 120.500 0.025 0.000 2.092 34 R HA -0.235 4.174 4.340 0.115 0.000 0.231 34 R C 1.891 178.325 176.300 0.224 0.000 1.119 34 R CA 2.176 58.350 56.100 0.124 0.000 0.970 34 R CB -0.599 29.822 30.300 0.200 0.000 0.864 34 R HN -0.149 8.086 8.270 -0.058 0.000 0.440 35 F N 0.864 120.827 119.950 0.021 0.000 2.075 35 F HA -0.193 4.470 4.527 0.226 0.000 0.297 35 F C 1.279 177.126 175.800 0.079 0.000 1.113 35 F CA 3.405 61.468 58.000 0.104 0.000 1.218 35 F CB 0.156 39.184 39.000 0.046 0.000 0.984 35 F HN 0.189 8.459 8.300 0.125 0.105 0.472 36 A N -3.072 119.918 122.820 0.283 0.000 1.940 36 A HA -0.260 4.178 4.320 0.196 0.000 0.219 36 A C 1.237 178.873 177.584 0.087 0.000 1.176 36 A CA 2.604 54.745 52.037 0.173 0.000 0.631 36 A CB -0.540 18.550 19.000 0.150 0.000 0.814 36 A HN -0.269 8.053 8.150 0.286 0.000 0.446 37 K N -3.371 117.075 120.400 0.076 0.000 2.186 37 K HA -0.085 4.258 4.320 0.038 0.000 0.202 37 K C 1.679 178.297 176.600 0.029 0.000 1.052 37 K CA 1.609 57.925 56.287 0.048 0.000 0.965 37 K CB 0.247 32.777 32.500 0.050 0.000 0.746 37 K HN -0.605 7.704 8.250 0.099 0.000 0.457 38 E N -2.087 118.132 120.200 0.032 0.000 2.216 38 E HA -0.061 4.295 4.350 0.009 0.000 0.192 38 E C -0.026 176.553 176.600 -0.035 0.000 0.988 38 E CA 1.344 57.748 56.400 0.007 0.000 0.834 38 E CB 0.659 30.380 29.700 0.036 0.000 0.772 38 E HN -0.479 7.916 8.360 0.058 0.000 0.479 39 S N -2.209 113.446 115.700 -0.074 0.000 2.715 39 S HA 0.183 4.614 4.470 -0.066 0.000 0.307 39 S C -1.555 173.008 174.600 -0.060 0.000 1.119 39 S CA -1.018 57.129 58.200 -0.088 0.000 0.937 39 S CB 1.441 64.548 63.200 -0.154 0.000 1.150 39 S HN -0.500 7.770 8.310 -0.066 0.000 0.521 40 E N 2.167 122.337 120.200 -0.050 0.000 2.104 40 E HA 0.104 4.445 4.350 -0.015 0.000 0.278 40 E C -0.881 175.710 176.600 -0.015 0.000 1.127 40 E CA 0.188 56.572 56.400 -0.026 0.000 0.897 40 E CB -1.422 28.264 29.700 -0.023 0.000 1.043 40 E HN 0.221 8.545 8.360 -0.059 0.000 0.410 41 M N -1.152 118.456 119.600 0.013 0.000 2.813 41 M HA 0.425 4.941 4.480 0.061 0.000 0.270 41 M C -1.436 174.921 176.300 0.095 0.000 1.267 41 M CA -0.907 54.432 55.300 0.066 0.000 0.822 41 M CB 3.264 35.912 32.600 0.080 0.000 1.671 41 M HN -0.507 7.790 8.290 0.011 0.000 0.468 42 K N 0.774 121.274 120.400 0.167 0.000 2.294 42 K HA 0.070 4.396 4.320 0.011 0.000 0.288 42 K C 0.683 177.266 176.600 -0.027 0.000 1.072 42 K CA -0.655 55.656 56.287 0.040 0.000 0.960 42 K CB -0.407 32.076 32.500 -0.028 0.000 1.043 42 K HN 0.206 8.607 8.250 0.251 0.000 0.455 43 A N 8.696 131.507 122.820 -0.014 0.000 1.957 43 A HA -0.484 3.850 4.320 0.022 0.000 0.224 43 A C 1.960 179.522 177.584 -0.035 0.000 1.287 43 A CA 3.543 55.573 52.037 -0.012 0.000 0.682 43 A CB -0.669 18.322 19.000 -0.016 0.000 0.833 43 A HN 0.378 8.529 8.150 0.002 0.000 0.482 44 E N -2.368 117.766 120.200 -0.111 0.000 2.171 44 E HA -0.323 3.987 4.350 -0.067 0.000 0.197 44 E C 2.258 178.799 176.600 -0.098 0.000 0.997 44 E CA 2.570 58.895 56.400 -0.125 0.000 0.810 44 E CB -0.631 28.951 29.700 -0.196 0.000 0.738 44 E HN 0.373 8.658 8.360 -0.126 0.000 0.467 45 H N -0.200 118.882 119.070 0.021 0.000 2.496 45 H HA -0.412 4.153 4.556 0.015 0.000 0.296 45 H C 1.732 177.079 175.328 0.031 0.000 1.107 45 H CA 2.479 58.544 56.048 0.028 0.000 1.263 45 H CB -0.098 29.694 29.762 0.050 0.000 1.369 45 H HN -0.191 7.855 8.280 -0.318 0.043 0.541 46 A N -1.130 121.768 122.820 0.129 0.000 1.917 46 A HA -0.461 3.920 4.320 0.101 0.000 0.219 46 A C 1.622 179.239 177.584 0.056 0.000 1.182 46 A CA 3.261 55.350 52.037 0.086 0.000 0.633 46 A CB -0.742 18.294 19.000 0.060 0.000 0.819 46 A HN -0.236 7.897 8.150 0.094 0.073 0.448 47 K N -1.763 118.663 120.400 0.043 0.000 2.025 47 K HA -0.231 4.103 4.320 0.023 0.000 0.207 47 K C 1.983 178.604 176.600 0.035 0.000 1.049 47 K CA 2.313 58.618 56.287 0.029 0.000 0.933 47 K CB -0.616 31.895 32.500 0.018 0.000 0.714 47 K HN -0.719 7.554 8.250 0.040 0.000 0.438 48 V N 0.246 120.194 119.914 0.057 0.000 2.287 48 V HA -0.441 3.703 4.120 0.041 0.000 0.248 48 V C 2.003 178.113 176.094 0.027 0.000 1.053 48 V CA 4.759 67.096 62.300 0.062 0.000 1.027 48 V CB -0.305 31.601 31.823 0.139 0.000 0.646 48 V HN -0.366 7.865 8.190 0.069 0.000 0.447 49 L N -0.086 121.157 121.223 0.033 0.000 1.970 49 L HA -0.329 3.956 4.340 -0.091 0.000 0.212 49 L C 1.681 178.529 176.870 -0.036 0.000 1.071 49 L CA 3.451 58.273 54.840 -0.032 0.000 0.751 49 L CB -0.127 41.942 42.059 0.016 0.000 0.889 49 L HN 0.397 8.574 8.230 0.085 0.104 0.432 50 M N -0.662 118.935 119.600 -0.006 0.000 2.144 50 M HA -0.534 3.945 4.480 -0.002 0.000 0.260 50 M C 1.833 178.137 176.300 0.006 0.000 1.067 50 M CA 4.078 59.378 55.300 0.001 0.000 1.095 50 M CB -0.365 32.240 32.600 0.009 0.000 1.365 50 M HN 0.243 8.432 8.290 0.014 0.110 0.406 51 D N 0.081 120.484 120.400 0.004 0.000 2.084 51 D HA -0.162 4.483 4.640 0.008 0.000 0.196 51 D C 2.850 179.145 176.300 -0.009 0.000 0.985 51 D CA 3.437 57.439 54.000 0.003 0.000 0.826 51 D CB -0.409 40.396 40.800 0.008 0.000 0.978 51 D HN 0.137 8.512 8.370 0.008 0.000 0.456 52 S N 0.795 116.478 115.700 -0.029 0.000 2.383 52 S HA -0.249 4.205 4.470 -0.027 0.000 0.227 52 S C 2.205 176.758 174.600 -0.080 0.000 1.026 52 S CA 3.390 61.558 58.200 -0.054 0.000 0.981 52 S CB 0.138 63.290 63.200 -0.080 0.000 0.818 52 S HN -0.335 7.955 8.310 -0.034 0.000 0.472 53 L N 1.383 122.572 121.223 -0.056 0.000 2.027 53 L HA -0.296 4.097 4.340 0.089 0.000 0.206 53 L C 1.901 178.811 176.870 0.068 0.000 1.074 53 L CA 4.079 58.967 54.840 0.079 0.000 0.745 53 L CB -0.205 41.909 42.059 0.091 0.000 0.898 53 L HN 0.124 8.315 8.230 -0.066 0.000 0.433 54 T N -2.070 112.518 114.554 0.057 0.000 2.746 54 T HA -0.454 3.967 4.350 0.117 0.000 0.267 54 T C 1.848 176.552 174.700 0.007 0.000 1.039 54 T CA 4.541 66.677 62.100 0.062 0.000 1.142 54 T CB -0.505 68.397 68.868 0.056 0.000 0.866 54 T HN 0.013 8.276 8.240 0.039 0.000 0.444 55 G N 1.502 110.289 108.800 -0.021 0.000 2.418 55 G HA2 -0.300 3.637 3.960 -0.038 0.000 0.217 55 G HA3 -0.300 3.652 3.960 -0.013 0.000 0.217 55 G C 1.250 176.114 174.900 -0.060 0.000 1.158 55 G CA 2.018 47.097 45.100 -0.034 0.000 0.771 55 G HN -0.159 8.123 8.290 -0.013 0.000 0.545 56 V N 1.856 121.705 119.914 -0.109 0.000 2.287 56 V HA -0.435 3.729 4.120 0.073 0.000 0.248 56 V C 1.056 176.961 176.094 -0.314 0.000 1.053 56 V CA 4.341 66.551 62.300 -0.150 0.000 1.027 56 V CB -0.416 31.272 31.823 -0.226 0.000 0.646 56 V HN 0.096 8.113 8.190 -0.108 0.108 0.447 57 W N -0.330 120.586 121.300 -0.640 0.000 2.381 57 W HA -0.384 4.042 4.660 -0.391 0.000 0.321 57 W C 2.110 178.521 176.519 -0.180 0.000 1.196 57 W CA 3.029 60.109 57.345 -0.443 0.000 1.304 57 W CB 0.060 29.270 29.460 -0.417 0.000 1.166 57 W HN -0.541 7.367 8.180 -0.452 0.000 0.473 58 D N 0.021 120.286 120.400 -0.225 0.000 2.116 58 D HA -0.316 4.178 4.640 -0.245 0.000 0.193 58 D C 1.713 177.831 176.300 -0.304 0.000 0.998 58 D CA 3.281 57.153 54.000 -0.215 0.000 0.836 58 D CB -0.471 40.300 40.800 -0.048 0.000 0.951 58 D HN 0.035 8.389 8.370 -0.026 0.000 0.449 59 N N -3.242 115.276 118.700 -0.302 0.000 2.405 59 N HA -0.040 4.439 4.740 -0.434 0.000 0.175 59 N C 0.160 175.215 175.510 -0.759 0.000 1.051 59 N CA 1.784 54.552 53.050 -0.470 0.000 0.899 59 N CB 1.335 39.571 38.487 -0.420 0.000 1.000 59 N HN -0.185 8.010 8.380 -0.242 0.040 0.451 60 F N -3.273 116.539 119.950 -0.230 0.000 2.268 60 F HA 0.140 4.579 4.527 -0.147 0.000 0.262 60 F C 0.963 176.617 175.800 -0.244 0.000 0.910 60 F CA 1.510 59.399 58.000 -0.185 0.000 1.142 60 F CB 1.794 40.731 39.000 -0.105 0.000 1.229 60 F HN -0.768 7.374 8.300 -0.264 0.000 0.781 61 L N -0.633 120.505 121.223 -0.142 0.000 2.191 61 L HA -0.349 4.003 4.340 0.019 0.000 0.212 61 L C 2.362 178.838 176.870 -0.656 0.000 1.103 61 L CA 2.779 57.481 54.840 -0.229 0.000 0.769 61 L CB -0.630 41.432 42.059 0.006 0.000 0.908 61 L HN 0.050 8.192 8.230 -0.146 0.000 0.438 62 T N 0.941 114.839 114.554 -1.094 0.000 2.803 62 T HA -0.420 3.262 4.350 -1.113 0.000 0.269 62 T C 0.954 175.442 174.700 -0.353 0.000 1.052 62 T CA 4.381 65.922 62.100 -0.932 0.000 1.136 62 T CB -0.195 68.119 68.868 -0.922 0.000 0.864 62 T HN -0.153 7.431 8.240 -1.051 0.026 0.467 63 A N -0.021 122.647 122.820 -0.253 0.000 2.172 63 A HA -0.155 4.098 4.320 -0.112 0.000 0.216 63 A C 0.880 178.440 177.584 -0.039 0.000 1.154 63 A CA 2.185 54.150 52.037 -0.120 0.000 0.701 63 A CB -0.636 18.302 19.000 -0.104 0.000 0.789 63 A HN -0.545 7.379 8.150 -0.297 0.048 0.465 64 V N -0.151 119.757 119.914 -0.011 0.000 2.255 64 V HA -0.338 3.819 4.120 0.061 0.000 0.243 64 V C 1.426 177.567 176.094 0.079 0.000 1.038 64 V CA 3.281 65.622 62.300 0.068 0.000 1.008 64 V CB 0.274 32.187 31.823 0.151 0.000 0.645 64 V HN -0.626 7.444 8.190 -0.073 0.076 0.449 65 A N -2.186 120.696 122.820 0.103 0.000 2.507 65 A HA 0.290 4.667 4.320 0.094 0.000 0.270 65 A C 0.295 177.930 177.584 0.085 0.000 1.318 65 A CA -0.882 51.222 52.037 0.113 0.000 0.924 65 A CB -0.214 18.890 19.000 0.174 0.000 1.061 65 A HN -0.119 8.085 8.150 0.090 0.000 0.516 66 G N -2.329 106.495 108.800 0.040 0.000 2.233 66 G HA2 -0.445 3.505 3.960 -0.015 0.000 0.270 66 G HA3 -0.445 3.529 3.960 0.024 0.000 0.270 66 G C 0.385 175.310 174.900 0.042 0.000 1.011 66 G CA 0.770 45.882 45.100 0.020 0.000 0.762 66 G HN 0.142 8.352 8.290 0.023 0.095 0.511 67 G N -2.401 106.453 108.800 0.089 0.000 3.876 67 G HA2 -0.231 3.820 3.960 0.151 0.000 0.203 67 G HA3 -0.231 3.810 3.960 0.134 0.000 0.203 67 G C -1.115 173.990 174.900 0.343 0.000 1.162 67 G CA 0.022 45.224 45.100 0.171 0.000 0.903 67 G HN -0.226 8.100 8.290 0.061 0.000 0.390 68 K N 2.915 123.480 120.400 0.277 0.000 2.120 68 K HA 0.161 4.619 4.320 0.229 0.000 0.245 68 K C 0.427 177.262 176.600 0.392 0.000 1.024 68 K CA -0.603 55.846 56.287 0.270 0.000 0.906 68 K CB 0.395 32.996 32.500 0.167 0.000 1.051 68 K HN -0.632 7.742 8.250 0.207 0.000 0.491 69 G N -2.168 106.768 108.800 0.227 0.000 2.744 69 G HA2 0.057 4.192 3.960 0.141 0.000 0.257 69 G HA3 0.057 4.057 3.960 0.067 0.000 0.257 69 G C -0.740 174.349 174.900 0.315 0.000 1.244 69 G CA -0.491 44.730 45.100 0.201 0.000 0.916 69 G HN -0.028 8.339 8.290 0.128 0.000 0.564 70 I N -0.309 120.461 120.570 0.334 0.000 2.468 70 I HA 0.207 4.575 4.170 0.330 0.000 0.285 70 I C -1.052 175.308 176.117 0.404 0.000 1.039 70 I CA -2.560 58.972 61.300 0.386 0.000 1.074 70 I CB 1.264 39.574 38.000 0.517 0.000 1.228 70 I HN -0.157 8.185 8.210 0.282 0.037 0.436 71 D N 6.268 126.849 120.400 0.302 0.000 2.377 71 D HA 0.211 5.201 4.640 0.336 -0.148 0.245 71 D C 0.556 176.885 176.300 0.049 0.000 1.196 71 D CA -1.096 53.041 54.000 0.230 0.000 0.962 71 D CB 1.238 42.108 40.800 0.118 0.000 1.127 71 D HN 0.058 8.574 8.370 0.243 0.000 0.471 72 E N -0.382 119.521 120.200 -0.496 0.000 2.110 72 E HA -0.404 3.207 4.350 -1.232 0.000 0.193 72 E C 1.706 178.192 176.600 -0.189 0.000 0.988 72 E CA 3.836 59.719 56.400 -0.862 0.000 0.804 72 E CB 0.040 29.098 29.700 -1.069 0.000 0.745 72 E HN 0.654 8.797 8.360 -0.361 0.000 0.458 73 T N 0.349 114.851 114.554 -0.088 0.000 2.643 73 T HA -0.384 3.962 4.350 -0.007 0.000 0.264 73 T C 2.143 176.874 174.700 0.051 0.000 1.045 73 T CA 4.148 66.245 62.100 -0.005 0.000 1.155 73 T CB -0.376 68.491 68.868 -0.002 0.000 0.863 73 T HN -0.430 7.800 8.240 -0.108 -0.055 0.420 74 T N 3.047 117.655 114.554 0.090 0.000 2.746 74 T HA -0.385 4.017 4.350 0.088 0.000 0.267 74 T C 1.780 176.593 174.700 0.188 0.000 1.039 74 T CA 3.595 65.773 62.100 0.131 0.000 1.142 74 T CB -0.365 68.597 68.868 0.157 0.000 0.866 74 T HN -0.020 8.639 8.240 0.070 -0.377 0.444 75 F N 4.770 124.809 119.950 0.148 0.000 2.069 75 F HA -0.262 4.433 4.527 0.280 0.000 0.298 75 F C 1.837 177.796 175.800 0.266 0.000 1.113 75 F CA 3.962 62.108 58.000 0.245 0.000 1.214 75 F CB -0.001 39.199 39.000 0.333 0.000 0.978 75 F HN 0.103 8.609 8.300 0.343 0.000 0.474 76 I N -1.655 119.000 120.570 0.142 0.000 2.179 76 I HA -0.709 3.671 4.170 0.349 0.000 0.242 76 I C 1.815 177.923 176.117 -0.015 0.000 1.088 76 I CA 4.316 65.717 61.300 0.167 0.000 1.357 76 I CB -0.399 37.731 38.000 0.216 0.000 1.051 76 I HN 0.176 8.512 8.210 0.209 0.000 0.409 77 N N -1.179 117.511 118.700 -0.016 0.000 2.043 77 N HA -0.372 4.312 4.740 -0.092 0.000 0.193 77 N C 2.437 177.901 175.510 -0.077 0.000 1.037 77 N CA 3.755 56.771 53.050 -0.056 0.000 0.851 77 N CB 0.192 38.669 38.487 -0.016 0.000 1.027 77 N HN 0.220 8.617 8.380 0.029 0.000 0.422 78 S N 0.856 116.536 115.700 -0.035 0.000 2.345 78 S HA -0.280 4.172 4.470 -0.029 0.000 0.220 78 S C 2.164 176.726 174.600 -0.063 0.000 1.031 78 S CA 3.626 61.810 58.200 -0.028 0.000 0.996 78 S CB -0.046 63.174 63.200 0.033 0.000 0.882 78 S HN -0.070 8.240 8.310 0.001 0.000 0.445 79 M N 1.759 121.303 119.600 -0.093 0.000 2.175 79 M HA -0.146 4.341 4.480 0.011 0.000 0.264 79 M C 2.180 178.417 176.300 -0.106 0.000 1.063 79 M CA 1.565 56.851 55.300 -0.023 0.000 1.119 79 M CB -0.899 31.662 32.600 -0.065 0.000 1.377 79 M HN -0.109 8.101 8.290 -0.133 0.000 0.415 80 K N -1.058 119.024 120.400 -0.531 0.000 2.103 80 K HA -0.404 2.886 4.320 -1.718 0.000 0.207 80 K C 2.283 178.556 176.600 -0.544 0.000 1.048 80 K CA 3.489 59.119 56.287 -1.094 0.000 0.930 80 K CB -0.139 31.620 32.500 -1.236 0.000 0.716 80 K HN -0.116 7.906 8.250 -0.379 0.000 0.444 81 E N -1.968 118.046 120.200 -0.310 0.000 2.076 81 E HA -0.126 4.099 4.350 -0.208 0.000 0.190 81 E C 2.846 179.370 176.600 -0.126 0.000 0.979 81 E CA 2.091 58.376 56.400 -0.192 0.000 0.807 81 E CB -0.037 29.581 29.700 -0.137 0.000 0.761 81 E HN -0.783 7.408 8.360 -0.281 0.000 0.454 82 M N -1.118 118.430 119.600 -0.088 0.000 2.267 82 M HA -0.239 4.222 4.480 -0.032 0.000 0.263 82 M C 2.585 178.876 176.300 -0.016 0.000 1.063 82 M CA 2.201 57.480 55.300 -0.034 0.000 1.090 82 M CB -0.617 31.982 32.600 -0.003 0.000 1.392 82 M HN -0.402 7.827 8.290 -0.102 0.000 0.422 83 V N -7.936 111.968 119.914 -0.017 0.000 2.970 83 V HA -0.228 3.925 4.120 0.055 0.000 0.260 83 V C 0.389 176.473 176.094 -0.017 0.000 1.100 83 V CA 2.164 64.481 62.300 0.027 0.000 1.122 83 V CB -0.463 31.436 31.823 0.126 0.000 0.721 83 V HN -0.463 7.651 8.190 -0.066 0.037 0.483 84 K N -3.824 116.538 120.400 -0.062 0.000 2.439 84 K HA -0.168 4.123 4.320 -0.048 0.000 0.197 84 K C 0.391 176.971 176.600 -0.032 0.000 1.041 84 K CA 1.010 57.264 56.287 -0.056 0.000 0.970 84 K CB -0.334 32.117 32.500 -0.082 0.000 0.773 84 K HN -0.756 7.400 8.250 -0.091 0.039 0.479 85 N N 1.745 120.431 118.700 -0.023 0.000 2.406 85 N HA 0.209 4.940 4.740 -0.015 0.000 0.251 85 N C -0.305 175.203 175.510 -0.003 0.000 1.069 85 N CA -3.275 49.767 53.050 -0.013 0.000 0.947 85 N CB 0.123 38.603 38.487 -0.011 0.000 1.111 85 N HN -0.582 7.639 8.380 -0.026 0.144 0.497 86 P HA -0.109 4.313 4.420 0.004 0.000 0.221 86 P C 0.094 177.397 177.300 0.004 0.000 1.145 86 P CA 1.604 64.705 63.100 0.001 0.000 0.795 86 P CB 0.387 32.086 31.700 -0.001 0.000 0.775 87 E N -2.609 117.593 120.200 0.004 0.000 2.481 87 E HA 0.185 4.539 4.350 0.007 0.000 0.198 87 E C 0.660 177.268 176.600 0.012 0.000 1.027 87 E CA -0.683 55.721 56.400 0.007 0.000 0.900 87 E CB -0.763 28.940 29.700 0.005 0.000 0.993 87 E HN -0.406 8.098 8.360 0.002 -0.142 0.482 88 A N -0.494 122.335 122.820 0.014 0.000 2.235 88 A HA -0.088 4.247 4.320 0.026 0.000 0.208 88 A C 1.004 178.604 177.584 0.027 0.000 1.172 88 A CA 1.186 53.236 52.037 0.023 0.000 0.786 88 A CB -0.455 18.557 19.000 0.020 0.000 0.804 88 A HN -0.663 7.494 8.150 0.011 0.000 0.479 89 K N -0.781 119.630 120.400 0.017 0.000 2.052 89 K HA -0.511 3.814 4.320 0.008 0.000 0.215 89 K C 1.725 178.310 176.600 -0.025 0.000 1.053 89 K CA 3.806 60.093 56.287 0.001 0.000 0.934 89 K CB -0.509 31.988 32.500 -0.005 0.000 0.717 89 K HN 0.275 8.408 8.250 0.015 0.126 0.450 90 S N -1.630 114.067 115.700 -0.006 0.000 2.419 90 S HA -0.235 4.283 4.470 -0.121 -0.121 0.235 90 S C 2.307 176.920 174.600 0.022 0.000 1.019 90 S CA 2.943 61.134 58.200 -0.015 0.000 0.982 90 S CB -0.470 62.775 63.200 0.074 0.000 0.789 90 S HN 0.075 8.394 8.310 0.015 0.000 0.490 91 V N -3.702 116.276 119.914 0.106 0.000 2.626 91 V HA -0.245 4.129 4.120 0.423 0.000 0.252 91 V C 0.493 176.621 176.094 0.057 0.000 1.067 91 V CA 2.943 65.351 62.300 0.181 0.000 1.081 91 V CB -0.150 31.756 31.823 0.138 0.000 0.686 91 V HN -0.636 7.528 8.190 0.058 0.061 0.468 92 V N -2.345 117.550 119.914 -0.032 0.000 2.685 92 V HA -0.119 3.960 4.120 -0.070 0.000 0.244 92 V C 1.057 176.931 176.094 -0.367 0.000 1.054 92 V CA 1.730 63.967 62.300 -0.106 0.000 1.076 92 V CB 1.137 32.980 31.823 0.034 0.000 0.725 92 V HN -0.580 7.469 8.190 -0.021 0.127 0.467 93 E N -0.634 119.375 120.200 -0.318 0.000 2.216 93 E HA -0.144 3.922 4.350 -0.473 0.000 0.192 93 E C 1.949 178.259 176.600 -0.483 0.000 0.988 93 E CA 2.227 58.401 56.400 -0.377 0.000 0.834 93 E CB 0.132 29.705 29.700 -0.211 0.000 0.772 93 E HN 0.377 8.506 8.360 -0.196 0.114 0.479 94 G N 0.833 109.171 108.800 -0.770 0.000 2.547 94 G HA2 -0.255 2.989 3.960 -1.193 0.000 0.221 94 G HA3 -0.255 1.768 3.960 -3.304 -0.045 0.221 94 G C -0.962 173.468 174.900 -0.785 0.000 1.140 94 G CA 3.094 47.305 45.100 -1.481 0.000 0.760 94 G HN 0.044 7.834 8.290 -0.663 0.102 0.583 95 P HA -0.185 4.330 4.420 0.159 0.000 0.222 95 P C 0.661 178.159 177.300 0.330 0.000 1.147 95 P CA 1.793 64.965 63.100 0.120 0.000 0.790 95 P CB -0.196 31.687 31.700 0.305 0.000 0.780 96 L N -2.270 119.062 121.223 0.181 0.000 1.989 96 L HA -0.196 4.610 4.340 0.777 0.000 0.211 96 L C -0.558 176.606 176.870 0.490 0.000 1.071 96 L CA 4.514 59.620 54.840 0.444 0.000 0.749 96 L CB -3.645 38.535 42.059 0.201 0.000 0.890 96 L HN 0.152 8.290 8.230 -0.082 0.043 0.431 97 P HA -0.194 4.363 4.420 0.229 0.000 0.216 97 P C 2.006 179.428 177.300 0.204 0.000 1.150 97 P CA 2.785 66.007 63.100 0.202 0.000 0.837 97 P CB -0.554 31.205 31.700 0.099 0.000 0.786 98 L N -2.688 118.636 121.223 0.170 0.000 2.179 98 L HA -0.196 4.179 4.340 0.059 0.000 0.208 98 L C 2.453 179.336 176.870 0.022 0.000 1.096 98 L CA 2.889 57.777 54.840 0.080 0.000 0.779 98 L CB -0.311 41.779 42.059 0.052 0.000 0.922 98 L HN -0.543 7.794 8.230 0.177 0.000 0.443 99 F N 0.786 120.852 119.950 0.193 0.000 2.234 99 F HA -0.368 4.225 4.527 0.110 0.000 0.299 99 F C 1.943 177.637 175.800 -0.177 0.000 1.087 99 F CA 4.122 62.222 58.000 0.167 0.000 1.340 99 F CB -0.065 39.225 39.000 0.484 0.000 1.031 99 F HN 0.257 8.811 8.300 0.424 0.000 0.500 100 F N 0.435 120.225 119.950 -0.267 0.000 2.065 100 F HA -0.501 3.257 4.527 -1.282 0.000 0.298 100 F C 1.596 177.189 175.800 -0.345 0.000 1.112 100 F CA 4.068 61.662 58.000 -0.676 0.000 1.212 100 F CB 0.149 38.847 39.000 -0.503 0.000 0.975 100 F HN 0.080 8.531 8.300 0.252 0.000 0.476 101 R N -3.185 117.112 120.500 -0.339 0.000 2.148 101 R HA -0.292 3.795 4.340 -0.421 0.000 0.227 101 R C 0.840 176.958 176.300 -0.303 0.000 1.103 101 R CA 1.508 57.431 56.100 -0.295 0.000 0.983 101 R CB -0.407 29.846 30.300 -0.079 0.000 0.874 101 R HN -0.622 7.609 8.270 -0.065 0.000 0.451 102 A N -2.148 120.501 122.820 -0.284 0.000 1.873 102 A HA -0.180 3.989 4.320 -0.251 0.000 0.215 102 A C 1.348 178.769 177.584 -0.272 0.000 1.186 102 A CA 2.263 54.124 52.037 -0.292 0.000 0.616 102 A CB -0.010 18.780 19.000 -0.350 0.000 0.823 102 A HN -0.682 7.156 8.150 -0.261 0.155 0.442 103 V N -3.949 115.793 119.914 -0.287 0.000 2.759 103 V HA -0.313 3.903 4.120 0.160 0.000 0.256 103 V C 1.117 177.070 176.094 -0.234 0.000 1.080 103 V CA 2.642 64.835 62.300 -0.178 0.000 1.101 103 V CB -0.126 31.464 31.823 -0.389 0.000 0.698 103 V HN -0.342 7.649 8.190 -0.332 0.000 0.477 104 D N -0.142 120.002 120.400 -0.425 0.000 2.892 104 D HA -0.175 4.265 4.640 -0.334 0.000 0.229 104 D C 0.512 176.570 176.300 -0.403 0.000 1.124 104 D CA -0.273 53.485 54.000 -0.403 0.000 1.060 104 D CB -1.953 38.557 40.800 -0.482 0.000 1.182 104 D HN -0.512 7.505 8.370 -0.508 0.048 0.439 105 T N 1.772 116.173 114.554 -0.255 0.000 2.869 105 T HA -0.365 3.792 4.350 -0.321 0.000 0.270 105 T C 0.223 174.982 174.700 0.098 0.000 1.082 105 T CA 3.101 65.122 62.100 -0.132 0.000 1.123 105 T CB -0.307 68.549 68.868 -0.020 0.000 0.856 105 T HN 0.268 8.321 8.240 -0.162 0.089 0.499 106 N N -0.250 118.490 118.700 0.067 0.000 2.422 106 N HA -0.083 4.720 4.740 0.105 0.000 0.181 106 N C 0.002 175.605 175.510 0.155 0.000 1.080 106 N CA -0.005 53.107 53.050 0.102 0.000 0.893 106 N CB -0.522 37.990 38.487 0.041 0.000 0.973 106 N HN -0.326 7.967 8.380 -0.022 0.074 0.456 107 E N -2.268 118.073 120.200 0.235 0.000 2.298 107 E HA -0.385 4.142 4.350 0.296 0.000 0.235 107 E C -1.811 174.844 176.600 0.092 0.000 1.167 107 E CA 0.811 57.336 56.400 0.208 0.000 0.708 107 E CB -1.891 27.875 29.700 0.111 0.000 1.236 107 E HN -0.235 8.248 8.360 0.205 0.000 0.386 108 D N -1.382 119.056 120.400 0.063 0.000 2.473 108 D HA 0.027 4.697 4.640 0.051 0.000 0.242 108 D C 0.387 176.724 176.300 0.062 0.000 1.106 108 D CA 0.273 54.304 54.000 0.052 0.000 0.854 108 D CB 1.337 42.164 40.800 0.045 0.000 1.192 108 D HN -0.389 8.382 8.370 0.046 -0.374 0.503 109 N N -1.612 117.120 118.700 0.053 0.000 2.952 109 N HA -0.437 4.527 4.740 0.076 -0.177 0.245 109 N C -2.469 173.199 175.510 0.262 0.000 1.029 109 N CA 1.268 54.397 53.050 0.132 0.000 0.870 109 N CB -0.528 38.051 38.487 0.154 0.000 1.121 109 N HN -0.100 8.683 8.380 0.008 -0.399 0.559 110 N N -4.213 114.579 118.700 0.153 0.000 2.369 110 N HA 0.394 5.557 4.740 0.440 -0.159 0.287 110 N C -1.664 173.894 175.510 0.080 0.000 1.067 110 N CA -0.389 52.789 53.050 0.214 0.000 0.888 110 N CB 3.690 42.264 38.487 0.146 0.000 1.616 110 N HN -0.746 7.715 8.380 0.071 -0.039 0.482 111 I N 3.221 123.848 120.570 0.094 0.000 2.353 111 I HA 0.242 4.595 4.170 -0.013 -0.190 0.293 111 I C 0.225 176.467 176.117 0.209 0.000 0.992 111 I CA -0.731 60.602 61.300 0.055 0.000 1.268 111 I CB 1.872 39.863 38.000 -0.015 0.000 1.387 111 I HN 0.555 8.898 8.210 0.221 0.000 0.478 112 S N 6.618 122.403 115.700 0.142 0.000 2.707 112 S HA 0.520 5.122 4.470 0.220 0.000 0.276 112 S C 1.506 176.019 174.600 -0.146 0.000 1.179 112 S CA -1.467 56.785 58.200 0.086 0.000 0.992 112 S CB 3.303 66.503 63.200 0.001 0.000 1.030 112 S HN -0.383 8.363 8.310 0.071 -0.394 0.554 113 R N -0.370 119.708 120.500 -0.703 0.000 2.083 113 R HA -0.349 3.047 4.340 -1.574 0.000 0.237 113 R C 1.746 177.826 176.300 -0.368 0.000 1.137 113 R CA 3.917 59.404 56.100 -1.023 0.000 0.951 113 R CB -0.759 28.894 30.300 -1.078 0.000 0.851 113 R HN 0.740 8.692 8.270 -0.530 0.000 0.434 114 D N -1.364 118.902 120.400 -0.222 0.000 2.224 114 D HA -0.135 4.435 4.640 -0.115 0.000 0.205 114 D C 2.063 178.331 176.300 -0.053 0.000 0.965 114 D CA 3.250 57.180 54.000 -0.116 0.000 0.852 114 D CB -0.240 40.504 40.800 -0.093 0.000 0.947 114 D HN 0.236 8.468 8.370 -0.231 0.000 0.494 115 E N 1.556 121.742 120.200 -0.023 0.000 2.047 115 E HA -0.361 3.995 4.350 0.009 0.000 0.191 115 E C 1.966 178.632 176.600 0.109 0.000 0.987 115 E CA 3.089 59.506 56.400 0.029 0.000 0.799 115 E CB -0.113 29.604 29.700 0.028 0.000 0.752 115 E HN -0.626 7.705 8.360 -0.048 0.000 0.449 116 Y N 0.510 120.814 120.300 0.005 0.000 2.207 116 Y HA -0.435 4.225 4.550 0.184 0.000 0.287 116 Y C 1.910 177.829 175.900 0.032 0.000 1.156 116 Y CA 3.137 61.282 58.100 0.075 0.000 1.182 116 Y CB -0.022 38.485 38.460 0.078 0.000 0.979 116 Y HN 0.102 8.493 8.280 0.185 0.000 0.521 117 G N -1.038 107.723 108.800 -0.066 0.000 2.418 117 G HA2 -0.408 3.437 3.960 -0.192 0.000 0.217 117 G HA3 -0.408 3.498 3.960 -0.089 0.000 0.217 117 G C 1.102 175.993 174.900 -0.014 0.000 1.158 117 G CA 2.257 47.297 45.100 -0.102 0.000 0.771 117 G HN 0.006 8.290 8.290 -0.009 0.000 0.545 118 I N 2.918 123.488 120.570 -0.001 0.000 2.226 118 I HA -0.374 3.776 4.170 -0.034 0.000 0.245 118 I C 1.232 177.360 176.117 0.018 0.000 1.100 118 I CA 2.557 63.846 61.300 -0.019 0.000 1.374 118 I CB -0.210 37.757 38.000 -0.055 0.000 1.057 118 I HN 0.096 8.200 8.210 -0.003 0.104 0.413 119 F N 2.005 121.926 119.950 -0.047 0.000 2.065 119 F HA -0.478 4.113 4.527 0.106 0.000 0.298 119 F C 0.850 176.734 175.800 0.140 0.000 1.112 119 F CA 3.809 61.864 58.000 0.092 0.000 1.212 119 F CB -0.253 38.839 39.000 0.154 0.000 0.975 119 F HN -0.195 8.234 8.300 0.216 0.000 0.476 120 F N -1.002 118.695 119.950 -0.420 0.000 2.091 120 F HA -0.426 3.736 4.527 -0.609 0.000 0.299 120 F C 2.672 178.314 175.800 -0.262 0.000 1.103 120 F CA 2.598 60.338 58.000 -0.433 0.000 1.228 120 F CB -0.788 38.024 39.000 -0.313 0.000 0.984 120 F HN 0.090 8.468 8.300 0.130 0.000 0.477 121 G N -1.444 107.356 108.800 -0.000 0.000 2.469 121 G HA2 -0.473 3.643 3.960 -0.048 0.000 0.219 121 G HA3 -0.473 3.461 3.960 -0.043 0.000 0.219 121 G C 1.098 175.939 174.900 -0.099 0.000 1.150 121 G CA 1.956 47.026 45.100 -0.051 0.000 0.763 121 G HN 0.258 8.464 8.290 0.041 0.109 0.561 122 M N -0.303 119.238 119.600 -0.099 0.000 2.117 122 M HA -0.355 4.057 4.480 -0.113 0.000 0.262 122 M C 1.902 178.080 176.300 -0.205 0.000 1.065 122 M CA 3.083 58.321 55.300 -0.102 0.000 1.114 122 M CB 0.081 32.680 32.600 -0.002 0.000 1.361 122 M HN -0.400 7.844 8.290 -0.077 0.000 0.408 123 L N -6.981 114.106 121.223 -0.226 0.000 2.353 123 L HA -0.094 4.034 4.340 -0.354 0.000 0.220 123 L C 0.704 177.407 176.870 -0.279 0.000 1.133 123 L CA 0.681 55.339 54.840 -0.304 0.000 0.798 123 L CB -0.640 41.200 42.059 -0.365 0.000 0.922 123 L HN -0.605 7.499 8.230 -0.210 0.000 0.445 124 G N -2.804 105.862 108.800 -0.222 0.000 2.215 124 G HA2 -0.291 3.583 3.960 -0.144 0.000 0.198 124 G HA3 -0.291 3.565 3.960 -0.174 0.000 0.198 124 G C -0.482 174.329 174.900 -0.149 0.000 1.047 124 G CA -0.124 44.873 45.100 -0.172 0.000 0.747 124 G HN -0.673 7.280 8.290 -0.205 0.213 0.495 125 L N -1.155 119.981 121.223 -0.145 0.000 2.303 125 L HA 0.444 4.723 4.340 -0.102 0.000 0.266 125 L C -0.994 175.870 176.870 -0.011 0.000 1.011 125 L CA -1.642 53.135 54.840 -0.106 0.000 0.818 125 L CB 2.462 44.383 42.059 -0.229 0.000 1.326 125 L HN -0.247 7.887 8.230 -0.159 0.000 0.435 126 D N 0.315 120.732 120.400 0.029 0.000 2.256 126 D HA 0.156 4.808 4.640 0.019 0.000 0.250 126 D C 1.163 177.520 176.300 0.095 0.000 1.093 126 D CA -0.512 53.515 54.000 0.044 0.000 0.882 126 D CB 1.173 41.990 40.800 0.029 0.000 1.185 126 D HN 0.117 8.499 8.370 0.021 0.000 0.437 127 K N 5.049 125.477 120.400 0.047 0.000 2.160 127 K HA -0.290 4.038 4.320 0.013 0.000 0.206 127 K C 2.157 178.764 176.600 0.012 0.000 1.047 127 K CA 2.990 59.286 56.287 0.015 0.000 0.930 127 K CB -0.010 32.477 32.500 -0.021 0.000 0.720 127 K HN 0.514 8.778 8.250 0.022 0.000 0.450 128 T N -1.376 113.193 114.554 0.025 0.000 2.849 128 T HA -0.333 4.023 4.350 0.010 0.000 0.270 128 T C 1.269 176.006 174.700 0.061 0.000 1.066 128 T CA 2.767 64.884 62.100 0.028 0.000 1.130 128 T CB -0.235 68.648 68.868 0.025 0.000 0.864 128 T HN 0.223 8.831 8.240 0.028 -0.351 0.481 129 M N -0.168 119.501 119.600 0.116 0.000 2.349 129 M HA -0.057 4.513 4.480 0.150 0.000 0.266 129 M C 1.140 177.568 176.300 0.214 0.000 1.076 129 M CA 0.511 55.927 55.300 0.194 0.000 1.126 129 M CB -0.055 32.696 32.600 0.252 0.000 1.392 129 M HN -0.370 7.845 8.290 0.124 0.149 0.440 130 A N 0.542 123.371 122.820 0.014 0.000 1.917 130 A HA -0.241 3.576 4.320 -0.838 0.000 0.219 130 A C -1.061 176.530 177.584 0.013 0.000 1.182 130 A CA 4.661 56.494 52.037 -0.340 0.000 0.633 130 A CB -3.078 15.617 19.000 -0.508 0.000 0.819 130 A HN -0.293 7.777 8.150 0.047 0.108 0.448 131 P HA -0.257 4.364 4.420 0.175 -0.096 0.216 131 P C 1.302 178.681 177.300 0.132 0.000 1.154 131 P CA 3.146 66.312 63.100 0.111 0.000 0.865 131 P CB -0.600 31.135 31.700 0.058 0.000 0.789 132 A N -4.618 118.276 122.820 0.125 0.000 1.917 132 A HA -0.303 4.078 4.320 0.101 0.000 0.219 132 A C 1.761 179.424 177.584 0.132 0.000 1.182 132 A CA 2.987 55.100 52.037 0.128 0.000 0.633 132 A CB -0.815 18.272 19.000 0.145 0.000 0.819 132 A HN -0.407 7.816 8.150 0.122 0.000 0.448 133 S N -2.319 113.484 115.700 0.172 0.000 2.387 133 S HA -0.104 4.432 4.470 0.110 0.000 0.221 133 S C 1.499 176.049 174.600 -0.083 0.000 1.041 133 S CA 1.968 60.243 58.200 0.126 0.000 0.959 133 S CB 0.555 63.938 63.200 0.306 0.000 0.843 133 S HN -0.753 7.649 8.310 0.201 0.029 0.488 134 F N 2.980 122.770 119.950 -0.267 0.000 2.043 134 F HA -0.483 3.620 4.527 -0.707 0.000 0.297 134 F C 0.981 176.665 175.800 -0.194 0.000 1.118 134 F CA 4.189 61.943 58.000 -0.410 0.000 1.202 134 F CB 0.154 38.969 39.000 -0.307 0.000 0.965 134 F HN 0.293 8.673 8.300 0.133 0.000 0.482 135 D N -2.642 117.751 120.400 -0.011 0.000 2.178 135 D HA -0.328 4.268 4.640 -0.072 0.000 0.201 135 D C 0.730 176.980 176.300 -0.083 0.000 0.980 135 D CA 3.534 57.521 54.000 -0.022 0.000 0.842 135 D CB -0.411 40.446 40.800 0.095 0.000 0.948 135 D HN -0.211 8.275 8.370 0.194 0.000 0.472 136 A N -2.158 120.627 122.820 -0.058 0.000 1.969 136 A HA -0.103 4.206 4.320 -0.019 0.000 0.218 136 A C 1.053 178.592 177.584 -0.075 0.000 1.169 136 A CA 1.868 53.884 52.037 -0.035 0.000 0.635 136 A CB -0.016 18.998 19.000 0.024 0.000 0.810 136 A HN -0.435 7.675 8.150 -0.035 0.020 0.445 137 I N -4.220 116.253 120.570 -0.162 0.000 2.353 137 I HA -0.304 3.827 4.170 -0.066 0.000 0.248 137 I C 0.786 176.775 176.117 -0.212 0.000 1.119 137 I CA 2.427 63.625 61.300 -0.170 0.000 1.417 137 I CB 0.434 38.289 38.000 -0.242 0.000 1.078 137 I HN -0.404 7.590 8.210 -0.219 0.085 0.421 138 D N 0.070 120.279 120.400 -0.319 0.000 2.606 138 D HA -0.100 4.399 4.640 -0.236 0.000 0.234 138 D C 1.046 177.272 176.300 -0.124 0.000 1.140 138 D CA -0.034 53.817 54.000 -0.249 0.000 1.182 138 D CB -1.748 38.859 40.800 -0.321 0.000 1.130 138 D HN -0.307 7.799 8.370 -0.441 0.000 0.485 139 T N 5.600 120.097 114.554 -0.094 0.000 2.720 139 T HA -0.334 3.986 4.350 -0.051 0.000 0.268 139 T C 0.904 175.577 174.700 -0.045 0.000 1.037 139 T CA 3.147 65.211 62.100 -0.059 0.000 1.144 139 T CB 0.052 68.889 68.868 -0.050 0.000 0.864 139 T HN 0.467 8.551 8.240 -0.107 0.092 0.444 140 N N -0.071 118.601 118.700 -0.047 0.000 2.494 140 N HA -0.132 4.592 4.740 -0.027 0.000 0.182 140 N C -0.194 175.302 175.510 -0.023 0.000 1.076 140 N CA -0.146 52.885 53.050 -0.032 0.000 0.908 140 N CB -0.497 37.971 38.487 -0.031 0.000 0.967 140 N HN -0.466 8.012 8.380 -0.060 -0.133 0.449 141 N N -3.185 115.498 118.700 -0.028 0.000 2.783 141 N HA -0.327 4.403 4.740 -0.015 0.000 0.247 141 N C -1.238 174.274 175.510 0.003 0.000 1.089 141 N CA 0.792 53.834 53.050 -0.012 0.000 0.690 141 N CB -0.547 37.937 38.487 -0.005 0.000 0.991 141 N HN -0.198 8.196 8.380 -0.046 -0.042 0.552 142 D N -1.369 119.033 120.400 0.004 0.000 2.367 142 D HA 0.064 4.718 4.640 0.023 0.000 0.207 142 D C 1.074 177.409 176.300 0.058 0.000 1.034 142 D CA 0.709 54.724 54.000 0.025 0.000 0.861 142 D CB 0.205 41.017 40.800 0.020 0.000 0.943 142 D HN -0.299 8.437 8.370 -0.015 -0.375 0.515 143 G N 0.164 109.016 108.800 0.088 0.000 2.148 143 G HA2 -0.425 3.731 3.960 0.262 0.000 0.254 143 G HA3 -0.425 3.619 3.960 0.140 0.000 0.254 143 G C -1.623 173.467 174.900 0.318 0.000 0.981 143 G CA 0.616 45.830 45.100 0.190 0.000 0.670 143 G HN 0.047 8.794 8.290 0.050 -0.426 0.528 144 L N -2.508 118.843 121.223 0.213 0.000 2.376 144 L HA 0.441 5.163 4.340 0.436 -0.120 0.258 144 L C -1.358 175.527 176.870 0.025 0.000 1.013 144 L CA -1.374 53.599 54.840 0.221 0.000 0.822 144 L CB 3.864 46.006 42.059 0.138 0.000 1.388 144 L HN -0.688 7.538 8.230 0.095 0.061 0.413 145 L N 1.278 122.528 121.223 0.045 0.000 2.262 145 L HA 0.280 4.541 4.340 -0.133 0.000 0.288 145 L C -0.776 176.197 176.870 0.171 0.000 1.035 145 L CA -0.820 54.018 54.840 -0.003 0.000 0.820 145 L CB -0.151 41.902 42.059 -0.010 0.000 1.204 145 L HN 0.796 9.027 8.230 0.186 0.111 0.424 146 S N 4.329 120.039 115.700 0.017 0.000 2.681 146 S HA 0.223 4.708 4.470 0.025 0.000 0.270 146 S C 0.741 174.998 174.600 -0.571 0.000 1.209 146 S CA -1.177 56.951 58.200 -0.120 0.000 0.988 146 S CB 2.482 65.626 63.200 -0.094 0.000 1.006 146 S HN 0.085 8.374 8.310 -0.036 0.000 0.558 147 L N 1.429 122.067 121.223 -0.974 0.000 2.012 147 L HA -0.265 2.969 4.340 -1.844 0.000 0.210 147 L C 1.523 178.159 176.870 -0.391 0.000 1.073 147 L CA 3.598 57.797 54.840 -1.070 0.000 0.748 147 L CB -0.239 41.377 42.059 -0.739 0.000 0.891 147 L HN 0.832 8.674 8.230 -0.647 0.000 0.431 148 E N -1.539 118.518 120.200 -0.239 0.000 2.070 148 E HA -0.454 3.835 4.350 -0.101 0.000 0.197 148 E C 2.126 178.678 176.600 -0.080 0.000 1.004 148 E CA 3.074 59.401 56.400 -0.122 0.000 0.805 148 E CB -0.712 28.930 29.700 -0.096 0.000 0.744 148 E HN -0.181 8.024 8.360 -0.259 0.000 0.451 149 E N 0.041 120.194 120.200 -0.079 0.000 2.038 149 E HA -0.304 4.019 4.350 -0.045 0.000 0.195 149 E C 2.318 178.945 176.600 0.045 0.000 1.000 149 E CA 3.061 59.440 56.400 -0.036 0.000 0.803 149 E CB -0.313 29.351 29.700 -0.060 0.000 0.750 149 E HN -0.853 7.436 8.360 -0.119 0.000 0.448 150 F N 0.282 120.199 119.950 -0.056 0.000 2.095 150 F HA -0.457 4.232 4.527 0.270 0.000 0.298 150 F C 1.646 177.487 175.800 0.069 0.000 1.104 150 F CA 3.787 61.859 58.000 0.121 0.000 1.232 150 F CB 0.318 39.435 39.000 0.194 0.000 0.987 150 F HN -0.367 7.995 8.300 0.103 0.000 0.475 151 V N -1.395 118.588 119.914 0.115 0.000 2.358 151 V HA -0.450 3.654 4.120 -0.027 0.000 0.246 151 V C 1.683 177.723 176.094 -0.090 0.000 1.047 151 V CA 3.488 65.783 62.300 -0.008 0.000 1.035 151 V CB -0.915 30.905 31.823 -0.004 0.000 0.658 151 V HN 0.038 8.294 8.190 0.111 0.000 0.452 152 I N 1.518 122.045 120.570 -0.070 0.000 2.113 152 I HA -0.601 3.529 4.170 -0.067 0.000 0.238 152 I C 1.699 177.751 176.117 -0.109 0.000 1.070 152 I CA 4.232 65.489 61.300 -0.073 0.000 1.332 152 I CB -0.814 37.157 38.000 -0.050 0.000 1.044 152 I HN -0.081 8.102 8.210 -0.046 0.000 0.402 153 A N -0.958 121.791 122.820 -0.119 0.000 1.908 153 A HA -0.384 3.893 4.320 -0.071 0.000 0.218 153 A C 1.941 179.227 177.584 -0.497 0.000 1.181 153 A CA 3.272 55.218 52.037 -0.152 0.000 0.627 153 A CB -0.908 18.110 19.000 0.031 0.000 0.818 153 A HN 0.111 8.216 8.150 -0.075 0.000 0.445 154 G N -2.253 105.975 108.800 -0.953 0.000 2.421 154 G HA2 -0.409 2.503 3.960 -1.747 0.000 0.216 154 G HA3 -0.409 2.922 3.960 -1.048 0.000 0.216 154 G C 1.266 176.047 174.900 -0.198 0.000 1.171 154 G CA 1.897 46.358 45.100 -1.064 0.000 0.775 154 G HN 0.064 7.936 8.290 -0.696 0.000 0.543 155 S N 2.953 118.559 115.700 -0.157 0.000 2.365 155 S HA -0.311 4.146 4.470 -0.022 0.000 0.225 155 S C 2.025 176.627 174.600 0.005 0.000 1.039 155 S CA 3.835 62.006 58.200 -0.048 0.000 1.033 155 S CB -0.288 62.872 63.200 -0.067 0.000 0.887 155 S HN -0.153 8.024 8.310 -0.222 0.000 0.447 156 D N 1.678 122.062 120.400 -0.025 0.000 2.084 156 D HA -0.262 4.383 4.640 0.009 0.000 0.196 156 D C 2.158 178.476 176.300 0.030 0.000 0.985 156 D CA 3.643 57.645 54.000 0.004 0.000 0.826 156 D CB 0.058 40.856 40.800 -0.004 0.000 0.978 156 D HN -0.400 7.926 8.370 -0.074 0.000 0.456 157 F N 1.550 121.418 119.950 -0.136 0.000 2.065 157 F HA -0.434 4.030 4.527 -0.104 0.000 0.298 157 F C 0.887 176.585 175.800 -0.170 0.000 1.112 157 F CA 3.488 61.390 58.000 -0.163 0.000 1.212 157 F CB 0.152 39.002 39.000 -0.250 0.000 0.975 157 F HN -0.408 7.917 8.300 0.042 0.000 0.476 158 F N -4.905 115.065 119.950 0.034 0.000 2.259 158 F HA -0.333 4.114 4.527 -0.133 0.000 0.298 158 F C 1.100 176.874 175.800 -0.044 0.000 1.088 158 F CA 3.607 61.583 58.000 -0.041 0.000 1.358 158 F CB 0.274 39.278 39.000 0.006 0.000 1.040 158 F HN -0.030 8.490 8.300 0.367 0.000 0.505 159 M N -6.789 112.897 119.600 0.142 0.000 2.564 159 M HA 0.018 4.604 4.480 0.177 0.000 0.254 159 M C -0.723 175.630 176.300 0.087 0.000 1.299 159 M CA 0.461 55.834 55.300 0.122 0.000 1.143 159 M CB 1.536 34.186 32.600 0.085 0.000 1.427 159 M HN -0.228 8.139 8.290 0.129 0.000 0.538 160 N N 1.822 120.549 118.700 0.045 0.000 2.401 160 N HA -0.077 4.688 4.740 0.041 0.000 0.255 160 N C -0.419 175.108 175.510 0.027 0.000 1.110 160 N CA 0.124 53.194 53.050 0.033 0.000 0.949 160 N CB 0.925 39.422 38.487 0.016 0.000 1.110 160 N HN -0.458 7.841 8.380 0.030 0.100 0.490 161 D N 7.210 127.648 120.400 0.064 0.000 2.400 161 D HA 0.026 4.704 4.640 0.063 0.000 0.243 161 D C -0.249 176.073 176.300 0.037 0.000 1.184 161 D CA -1.023 53.026 54.000 0.081 0.000 0.853 161 D CB 0.173 41.069 40.800 0.159 0.000 0.944 161 D HN 0.281 8.690 8.370 0.065 0.000 0.501 162 G N -1.802 107.007 108.800 0.016 0.000 2.543 162 G HA2 0.045 4.016 3.960 0.018 0.000 0.290 162 G HA3 0.045 4.014 3.960 0.014 0.000 0.290 162 G C -1.023 173.881 174.900 0.006 0.000 1.310 162 G CA -0.896 44.212 45.100 0.013 0.000 1.025 162 G HN -0.909 7.432 8.290 0.015 -0.042 0.502 163 D N -1.652 118.758 120.400 0.015 0.000 2.626 163 D HA 0.037 4.688 4.640 0.018 0.000 0.260 163 D C 0.730 177.050 176.300 0.033 0.000 1.281 163 D CA -0.024 53.990 54.000 0.022 0.000 1.098 163 D CB 1.323 42.137 40.800 0.024 0.000 0.923 163 D HN 0.077 8.457 8.370 0.017 0.000 0.233 164 S N -2.261 113.460 115.700 0.035 0.000 3.513 164 S HA -0.233 4.258 4.470 0.035 0.000 0.636 164 S C 0.693 175.327 174.600 0.056 0.000 2.452 164 S CA 0.197 58.421 58.200 0.039 0.000 2.644 164 S CB 0.023 63.243 63.200 0.032 0.000 0.331 164 S HN -0.173 8.157 8.310 0.033 0.000 1.787 165 T N 1.258 115.845 114.554 0.056 0.000 2.985 165 T HA -0.054 4.342 4.350 0.077 0.000 0.266 165 T C 0.957 175.716 174.700 0.099 0.000 1.076 165 T CA 1.946 64.088 62.100 0.070 0.000 1.135 165 T CB 0.073 68.972 68.868 0.051 0.000 0.890 165 T HN 0.281 8.547 8.240 0.044 0.000 0.480 166 N N -1.107 117.654 118.700 0.101 0.000 2.434 166 N HA -0.051 4.795 4.740 0.177 0.000 0.196 166 N C 0.243 175.900 175.510 0.245 0.000 1.183 166 N CA 0.797 53.938 53.050 0.151 0.000 0.849 166 N CB -0.268 38.277 38.487 0.097 0.000 0.992 166 N HN 0.313 8.738 8.380 0.076 0.000 0.460 167 K N -2.339 118.189 120.400 0.213 0.000 2.432 167 K HA -0.130 4.360 4.320 0.283 0.000 0.196 167 K C -0.774 176.083 176.600 0.429 0.000 1.038 167 K CA 1.375 57.809 56.287 0.246 0.000 0.986 167 K CB 0.102 32.662 32.500 0.100 0.000 0.782 167 K HN -0.401 7.836 8.250 0.166 0.112 0.485 168 V N -0.324 119.811 119.914 0.368 0.000 2.239 168 V HA 0.093 4.466 4.120 0.421 0.000 0.267 168 V C -1.588 174.680 176.094 0.290 0.000 1.056 168 V CA -0.450 62.057 62.300 0.345 0.000 0.830 168 V CB 0.474 32.443 31.823 0.244 0.000 1.090 168 V HN -0.672 7.588 8.190 0.326 0.125 0.459 169 F N 6.678 126.591 119.950 -0.061 0.000 2.727 169 F HA 0.277 4.691 4.527 -0.189 0.000 0.302 169 F C -0.606 174.850 175.800 -0.572 0.000 1.097 169 F CA 0.010 57.732 58.000 -0.464 0.000 1.330 169 F CB 0.844 39.316 39.000 -0.878 0.000 1.084 169 F HN -0.079 8.446 8.300 0.374 0.000 0.578 170 W N -0.894 120.306 121.300 -0.166 0.000 2.007 170 W HA 0.221 4.793 4.660 -0.147 0.000 0.301 170 W C -1.348 174.921 176.519 -0.416 0.000 0.887 170 W CA -0.909 56.308 57.345 -0.212 0.000 1.625 170 W CB 0.808 30.148 29.460 -0.200 0.000 1.078 170 W HN -0.517 7.646 8.180 0.105 0.080 0.502 171 G N -0.416 108.287 108.800 -0.160 0.000 2.512 171 G HA2 -0.364 3.531 3.960 -0.109 0.000 0.210 171 G HA3 -0.364 3.103 3.960 -0.822 0.000 0.210 171 G C -2.770 172.093 174.900 -0.061 0.000 1.295 171 G CA -0.764 44.133 45.100 -0.337 0.000 0.934 171 G HN -0.285 8.085 8.290 0.134 0.000 0.554 172 P HA -0.041 4.397 4.420 0.031 0.000 0.265 172 P C -0.445 176.860 177.300 0.010 0.000 1.193 172 P CA 0.385 63.479 63.100 -0.010 0.000 0.765 172 P CB 0.347 32.027 31.700 -0.034 0.000 0.823 173 L N 4.063 125.311 121.223 0.040 0.000 2.418 173 L HA -0.051 4.328 4.340 0.063 0.000 0.274 173 L C 0.287 177.170 176.870 0.022 0.000 1.135 173 L CA 0.204 55.072 54.840 0.046 0.000 0.870 173 L CB -0.036 42.055 42.059 0.055 0.000 1.154 173 L HN 0.117 8.376 8.230 0.048 0.000 0.462 174 V N 0.000 119.925 119.914 0.018 0.000 2.409 174 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 174 V CA 0.000 62.305 62.300 0.008 0.000 1.235 174 V CB 0.000 31.826 31.823 0.005 0.000 1.184 174 V HN 0.000 8.207 8.190 0.028 0.000 0.556