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 1bfi_1_A DATA FIRST_RESID 1 DATA SEQUENCE EDLPHHDEKT WNVGSSNRNK AENLLRGKRD GTFLVRESSK QGCYACSVVV DATA SEQUENCE DGEVKHCVIN KTATGYGFAE PYNLYSSLKE LVLHYQHTSL VQHNDSLNVT DATA SEQUENCE LAYPVYAQQR R 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 E HA 0.000 4.368 4.350 0.031 0.000 0.291 1 E C 0.000 176.631 176.600 0.052 0.000 1.382 1 E CA 0.000 56.424 56.400 0.041 0.000 0.976 1 E CB 0.000 29.723 29.700 0.038 0.000 0.812 2 D N 2.092 122.520 120.400 0.046 0.000 2.399 2 D HA 0.011 4.679 4.640 0.046 0.000 0.241 2 D C -0.761 175.610 176.300 0.119 0.000 1.133 2 D CA 0.332 54.367 54.000 0.058 0.000 0.890 2 D CB 0.489 41.303 40.800 0.023 0.000 1.201 2 D HN -0.076 8.315 8.370 0.035 0.000 0.432 3 L N 1.133 122.484 121.223 0.213 0.000 2.312 3 L HA 0.414 4.820 4.340 0.111 0.000 0.281 3 L C 0.149 177.145 176.870 0.209 0.000 1.070 3 L CA -2.466 52.490 54.840 0.192 0.000 0.805 3 L CB 0.586 42.787 42.059 0.236 0.000 1.174 3 L HN 0.408 8.804 8.230 0.276 0.000 0.434 4 P HA 0.001 4.530 4.420 0.182 0.000 0.239 4 P C 0.163 177.593 177.300 0.217 0.000 1.184 4 P CA 1.194 64.365 63.100 0.119 0.000 0.760 4 P CB 0.062 31.813 31.700 0.084 0.000 0.884 5 H N -2.304 116.915 119.070 0.249 0.000 2.457 5 H HA -0.185 4.503 4.556 0.221 0.000 0.294 5 H C 1.314 176.809 175.328 0.278 0.000 1.064 5 H CA 2.818 58.954 56.048 0.146 0.000 1.330 5 H CB -0.765 28.878 29.762 -0.199 0.000 1.395 5 H HN 0.036 8.172 8.280 -0.084 0.094 0.541 6 H N -3.543 115.748 119.070 0.369 0.000 2.489 6 H HA -0.173 4.553 4.556 0.283 0.000 0.293 6 H C 0.057 175.558 175.328 0.289 0.000 1.066 6 H CA 2.518 58.737 56.048 0.285 0.000 1.305 6 H CB 0.416 30.280 29.762 0.170 0.000 1.386 6 H HN -0.744 7.720 8.280 0.343 0.022 0.551 7 D N -0.419 120.224 120.400 0.407 0.000 2.313 7 D HA 0.154 4.861 4.640 0.113 0.000 0.239 7 D C -0.753 175.511 176.300 -0.059 0.000 1.142 7 D CA -0.457 53.650 54.000 0.178 0.000 0.847 7 D CB 0.516 41.393 40.800 0.128 0.000 1.082 7 D HN -0.577 7.894 8.370 0.457 0.173 0.480 8 E N 5.924 125.924 120.200 -0.334 0.000 2.072 8 E HA -0.439 2.641 4.350 -2.115 0.000 0.191 8 E C 1.021 176.991 176.600 -1.050 0.000 0.985 8 E CA 3.995 59.764 56.400 -1.053 0.000 0.801 8 E CB 0.218 29.581 29.700 -0.561 0.000 0.750 8 E HN 0.458 8.723 8.360 -0.158 0.000 0.452 9 K N -5.445 114.640 120.400 -0.525 0.000 2.280 9 K HA -0.219 4.011 4.320 -0.395 -0.147 0.202 9 K C 0.623 177.052 176.600 -0.286 0.000 1.047 9 K CA 2.167 58.225 56.287 -0.383 0.000 0.942 9 K CB -1.502 30.840 32.500 -0.262 0.000 0.739 9 K HN 0.282 8.313 8.250 -0.365 0.000 0.457 10 T N -5.464 108.933 114.554 -0.262 0.000 2.788 10 T HA -0.169 4.379 4.350 0.177 -0.092 0.268 10 T C 0.583 175.387 174.700 0.174 0.000 1.044 10 T CA 2.908 65.053 62.100 0.074 0.000 1.139 10 T CB 0.579 69.608 68.868 0.269 0.000 0.867 10 T HN -0.640 7.236 8.240 -0.354 0.151 0.454 11 W N -4.164 117.188 121.300 0.087 0.000 2.868 11 W HA 0.445 5.052 4.660 -0.087 0.000 0.320 11 W C -1.255 175.209 176.519 -0.092 0.000 1.076 11 W CA -3.098 54.223 57.345 -0.040 0.000 1.576 11 W CB 0.214 29.694 29.460 0.033 0.000 1.030 11 W HN -0.694 6.729 8.180 -1.245 0.010 0.558 12 N N 2.521 121.002 118.700 -0.365 0.000 2.422 12 N HA 0.215 5.045 4.740 -0.096 -0.148 0.264 12 N C -0.386 175.029 175.510 -0.158 0.000 1.063 12 N CA 0.347 53.242 53.050 -0.258 0.000 0.959 12 N CB 1.493 39.703 38.487 -0.462 0.000 1.087 12 N HN 0.305 8.122 8.380 -0.770 0.100 0.483 13 V N 1.955 121.831 119.914 -0.063 0.000 2.872 13 V HA 0.557 4.615 4.120 -0.103 0.000 0.367 13 V C 0.112 176.191 176.094 -0.024 0.000 1.343 13 V CA -2.387 59.892 62.300 -0.036 0.000 1.219 13 V CB -1.161 30.712 31.823 0.084 0.000 1.308 13 V HN 0.961 9.016 8.190 -0.036 0.113 0.610 14 G N 2.098 110.883 108.800 -0.025 0.000 2.507 14 G HA2 -0.378 3.642 3.960 0.006 0.000 0.221 14 G HA3 -0.378 3.591 3.960 0.014 0.000 0.221 14 G C 0.582 175.469 174.900 -0.021 0.000 1.119 14 G CA 2.581 47.679 45.100 -0.004 0.000 0.751 14 G HN -0.377 8.032 8.290 -0.040 -0.143 0.574 15 S N -2.926 112.752 115.700 -0.038 0.000 2.399 15 S HA -0.285 4.165 4.470 -0.033 0.000 0.231 15 S C 0.562 175.147 174.600 -0.024 0.000 1.022 15 S CA 1.229 59.406 58.200 -0.038 0.000 0.983 15 S CB -0.335 62.830 63.200 -0.059 0.000 0.803 15 S HN -0.350 7.906 8.310 -0.054 0.022 0.480 16 S N 2.842 118.534 115.700 -0.013 0.000 2.549 16 S HA -0.113 4.366 4.470 0.015 0.000 0.286 16 S C -0.984 173.616 174.600 -0.001 0.000 1.314 16 S CA -0.015 58.192 58.200 0.012 0.000 1.062 16 S CB 0.740 63.969 63.200 0.049 0.000 0.865 16 S HN -0.154 8.002 8.310 -0.018 0.144 0.498 17 N N 4.781 123.483 118.700 0.002 0.000 2.445 17 N HA 0.059 4.788 4.740 -0.017 0.000 0.264 17 N C 1.426 176.931 175.510 -0.008 0.000 1.227 17 N CA -0.138 52.908 53.050 -0.007 0.000 0.963 17 N CB 1.136 39.622 38.487 -0.002 0.000 1.188 17 N HN 0.192 8.578 8.380 0.011 0.000 0.491 18 R N 1.033 121.521 120.500 -0.021 0.000 2.091 18 R HA -0.418 3.884 4.340 -0.063 0.000 0.238 18 R C 1.660 177.975 176.300 0.024 0.000 1.136 18 R CA 4.829 60.914 56.100 -0.025 0.000 0.959 18 R CB -0.165 30.117 30.300 -0.030 0.000 0.856 18 R HN 0.571 8.826 8.270 -0.024 0.000 0.437 19 N N -0.909 117.806 118.700 0.025 0.000 2.142 19 N HA -0.238 4.532 4.740 0.050 0.000 0.186 19 N C 1.555 177.088 175.510 0.038 0.000 1.023 19 N CA 3.129 56.201 53.050 0.036 0.000 0.852 19 N CB -0.494 38.009 38.487 0.025 0.000 0.998 19 N HN -0.002 8.386 8.380 0.014 0.000 0.424 20 K N -0.108 120.310 120.400 0.030 0.000 2.097 20 K HA -0.257 4.083 4.320 0.034 0.000 0.206 20 K C 1.458 178.086 176.600 0.046 0.000 1.049 20 K CA 2.460 58.768 56.287 0.036 0.000 0.933 20 K CB -0.429 32.091 32.500 0.034 0.000 0.717 20 K HN -0.061 8.135 8.250 0.022 0.068 0.442 21 A N -1.304 121.544 122.820 0.047 0.000 1.940 21 A HA -0.246 4.109 4.320 0.059 0.000 0.219 21 A C 1.893 179.528 177.584 0.085 0.000 1.176 21 A CA 3.339 55.413 52.037 0.062 0.000 0.631 21 A CB -0.927 18.100 19.000 0.046 0.000 0.814 21 A HN 0.591 8.550 8.150 0.034 0.212 0.446 22 E N -1.769 118.484 120.200 0.089 0.000 2.058 22 E HA -0.383 4.027 4.350 0.100 0.000 0.194 22 E C 2.453 179.083 176.600 0.049 0.000 0.997 22 E CA 3.266 59.714 56.400 0.081 0.000 0.801 22 E CB -0.895 28.846 29.700 0.068 0.000 0.746 22 E HN -0.317 7.981 8.360 0.082 0.111 0.450 23 N N -0.640 118.083 118.700 0.038 0.000 2.120 23 N HA -0.249 4.502 4.740 0.018 0.000 0.188 23 N C 2.423 177.939 175.510 0.009 0.000 1.024 23 N CA 2.635 55.698 53.050 0.022 0.000 0.852 23 N CB -0.317 38.183 38.487 0.021 0.000 1.003 23 N HN -0.730 7.675 8.380 0.042 0.000 0.424 24 L N -1.127 120.103 121.223 0.012 0.000 2.046 24 L HA -0.369 3.931 4.340 -0.067 0.000 0.208 24 L C 1.800 178.665 176.870 -0.010 0.000 1.077 24 L CA 2.666 57.491 54.840 -0.024 0.000 0.747 24 L CB 0.101 42.155 42.059 -0.007 0.000 0.896 24 L HN -0.263 7.915 8.230 0.030 0.070 0.432 25 L N -4.609 116.633 121.223 0.032 0.000 2.240 25 L HA -0.240 4.131 4.340 0.050 0.000 0.211 25 L C 0.939 177.828 176.870 0.031 0.000 1.106 25 L CA 1.662 56.531 54.840 0.049 0.000 0.793 25 L CB -0.055 42.056 42.059 0.086 0.000 0.927 25 L HN 0.455 8.512 8.230 0.048 0.202 0.446 26 R N -1.058 119.455 120.500 0.022 0.000 2.438 26 R HA -0.110 4.239 4.340 0.015 0.000 0.287 26 R C 0.689 176.990 176.300 0.002 0.000 1.077 26 R CA 1.137 57.245 56.100 0.013 0.000 1.034 26 R CB 0.373 30.681 30.300 0.014 0.000 0.993 26 R HN 0.337 8.387 8.270 0.025 0.236 0.459 27 G N 2.454 111.255 108.800 0.001 0.000 2.195 27 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.246 27 G HA3 -0.308 3.644 3.960 -0.013 0.000 0.246 27 G C -0.383 174.512 174.900 -0.009 0.000 0.984 27 G CA 0.083 45.179 45.100 -0.007 0.000 0.633 27 G HN 0.420 8.714 8.290 0.006 0.000 0.525 28 K N 1.667 122.067 120.400 0.000 0.000 2.156 28 K HA 0.292 4.608 4.320 -0.006 0.000 0.271 28 K C 0.141 176.755 176.600 0.024 0.000 0.995 28 K CA -1.102 55.189 56.287 0.008 0.000 0.890 28 K CB 0.492 33.004 32.500 0.020 0.000 1.073 28 K HN -0.678 7.491 8.250 0.006 0.084 0.454 29 R N 2.259 122.774 120.500 0.025 0.000 2.774 29 R HA 0.031 4.385 4.340 0.023 0.000 0.269 29 R C -0.268 176.066 176.300 0.057 0.000 1.068 29 R CA -0.333 55.786 56.100 0.032 0.000 1.180 29 R CB 0.385 30.700 30.300 0.024 0.000 1.077 29 R HN 0.291 8.570 8.270 0.015 0.000 0.513 30 D N 0.295 120.724 120.400 0.050 0.000 2.443 30 D HA -0.367 4.485 4.640 0.059 -0.176 0.239 30 D C 1.107 177.454 176.300 0.077 0.000 1.136 30 D CA 1.734 55.767 54.000 0.055 0.000 0.879 30 D CB -0.016 40.804 40.800 0.034 0.000 1.195 30 D HN 0.021 8.413 8.370 0.037 0.000 0.443 31 G N 3.513 112.361 108.800 0.080 0.000 2.313 31 G HA2 -0.368 3.756 3.960 0.011 0.000 0.215 31 G HA3 -0.368 3.654 3.960 0.103 0.000 0.215 31 G C 0.190 175.189 174.900 0.164 0.000 1.023 31 G CA 0.010 45.159 45.100 0.082 0.000 0.626 31 G HN 0.113 8.449 8.290 0.076 0.000 0.503 32 T N 6.903 121.581 114.554 0.207 0.000 2.884 32 T HA 0.684 5.494 4.350 0.347 -0.252 0.298 32 T C -1.303 173.606 174.700 0.348 0.000 0.998 32 T CA 1.686 63.952 62.100 0.276 0.000 1.124 32 T CB 0.338 69.316 68.868 0.183 0.000 0.931 32 T HN -0.681 7.577 8.240 0.164 0.081 0.531 33 F N 4.714 124.755 119.950 0.151 0.000 2.643 33 F HA 0.793 5.489 4.527 0.154 -0.076 0.314 33 F C -3.574 172.348 175.800 0.203 0.000 1.096 33 F CA -2.608 55.496 58.000 0.172 0.000 0.953 33 F CB 3.825 42.948 39.000 0.206 0.000 1.345 33 F HN -0.247 8.444 8.300 0.652 0.000 0.468 34 L N -5.868 115.038 121.223 -0.530 0.000 2.371 34 L HA 0.542 4.575 4.340 -0.645 -0.079 0.262 34 L C -2.158 174.410 176.870 -0.503 0.000 1.006 34 L CA -1.156 53.355 54.840 -0.549 0.000 0.818 34 L CB 3.272 45.253 42.059 -0.131 0.000 1.354 34 L HN 0.763 8.911 8.230 -0.136 0.000 0.415 35 V N 0.038 119.781 119.914 -0.284 0.000 2.513 35 V HA 0.372 4.499 4.120 0.011 0.000 0.299 35 V C -1.487 174.625 176.094 0.030 0.000 1.035 35 V CA -1.314 60.972 62.300 -0.023 0.000 0.889 35 V CB 2.059 33.996 31.823 0.190 0.000 0.988 35 V HN 1.270 9.215 8.190 -0.211 0.118 0.440 36 R N 3.920 124.463 120.500 0.072 0.000 2.752 36 R HA 0.558 5.008 4.340 0.054 -0.078 0.271 36 R C -2.212 174.155 176.300 0.113 0.000 1.026 36 R CA -2.138 53.998 56.100 0.060 0.000 0.901 36 R CB 3.011 33.310 30.300 -0.001 0.000 1.243 36 R HN 0.802 9.131 8.270 0.099 0.000 0.463 37 E N -1.254 118.984 120.200 0.064 0.000 2.284 37 E HA 0.184 4.545 4.350 0.019 0.000 0.255 37 E C -0.005 176.539 176.600 -0.093 0.000 1.052 37 E CA -1.047 55.341 56.400 -0.020 0.000 0.904 37 E CB 1.463 31.116 29.700 -0.079 0.000 1.217 37 E HN 0.318 8.698 8.360 0.032 0.000 0.438 38 S N -1.325 114.273 115.700 -0.170 0.000 2.660 38 S HA 0.096 4.506 4.470 -0.100 0.000 0.223 38 S C 0.105 174.641 174.600 -0.105 0.000 0.963 38 S CA 1.850 59.974 58.200 -0.126 0.000 0.932 38 S CB 0.132 63.249 63.200 -0.139 0.000 0.775 38 S HN 0.221 8.359 8.310 -0.287 0.000 0.531 39 S N -0.248 115.390 115.700 -0.103 0.000 3.960 39 S HA -0.381 4.234 4.470 -0.061 -0.181 0.252 39 S C -0.322 174.230 174.600 -0.079 0.000 1.780 39 S CA 2.041 60.197 58.200 -0.074 0.000 4.039 39 S CB -1.656 61.509 63.200 -0.057 0.000 0.358 39 S HN 0.159 8.236 8.310 -0.115 0.164 0.458 40 K N 1.164 121.518 120.400 -0.076 0.000 2.335 40 K HA 0.072 4.355 4.320 -0.062 0.000 0.195 40 K C 0.208 176.755 176.600 -0.089 0.000 1.058 40 K CA 0.273 56.519 56.287 -0.069 0.000 0.988 40 K CB 0.898 33.368 32.500 -0.051 0.000 0.880 40 K HN -0.158 8.018 8.250 -0.073 0.031 0.513 41 Q N -0.312 119.422 119.800 -0.110 0.000 2.306 41 Q HA 0.029 4.309 4.340 -0.099 0.000 0.241 41 Q C 1.169 177.044 176.000 -0.209 0.000 0.948 41 Q CA -0.639 55.088 55.803 -0.126 0.000 0.886 41 Q CB 0.929 29.601 28.738 -0.109 0.000 1.227 41 Q HN -0.727 7.479 8.270 -0.106 0.000 0.457 42 G N 0.040 108.721 108.800 -0.199 0.000 2.882 42 G HA2 -0.164 3.577 3.960 -0.364 0.000 0.206 42 G HA3 -0.164 3.692 3.960 -0.172 0.000 0.206 42 G C -0.976 173.637 174.900 -0.478 0.000 1.155 42 G CA -0.118 44.803 45.100 -0.298 0.000 0.800 42 G HN 0.453 8.662 8.290 -0.136 0.000 0.524 43 C N -0.170 118.914 119.300 -0.360 0.000 2.601 43 C HA -0.071 4.292 4.460 -0.162 0.000 0.409 43 C C -1.915 172.819 174.990 -0.426 0.000 1.293 43 C CA -0.199 58.656 59.018 -0.272 0.000 2.101 43 C CB 1.191 28.854 27.740 -0.128 0.000 2.639 43 C HN -0.549 7.418 8.230 -0.266 0.104 0.592 44 Y N 4.059 124.361 120.300 0.004 0.000 2.567 44 Y HA 0.185 4.742 4.550 0.012 0.000 0.333 44 Y C -0.841 175.072 175.900 0.022 0.000 1.106 44 Y CA -1.023 57.089 58.100 0.020 0.000 1.157 44 Y CB 3.161 41.650 38.460 0.048 0.000 1.277 44 Y HN -0.296 8.066 8.280 0.136 0.000 0.490 45 A N -1.772 121.168 122.820 0.201 0.000 2.577 45 A HA 0.312 4.844 4.320 0.131 -0.133 0.297 45 A C -2.916 174.743 177.584 0.126 0.000 1.060 45 A CA -0.015 52.095 52.037 0.123 0.000 0.697 45 A CB 2.870 21.897 19.000 0.046 0.000 1.281 45 A HN 0.867 9.162 8.150 0.242 0.000 0.402 46 C N 1.425 120.816 119.300 0.151 0.000 2.455 46 C HA 0.761 5.375 4.460 0.113 -0.086 0.320 46 C C -0.909 174.224 174.990 0.238 0.000 1.226 46 C CA -2.242 56.889 59.018 0.188 0.000 1.569 46 C CB 3.933 31.876 27.740 0.339 0.000 2.200 46 C HN 0.289 8.518 8.230 0.147 0.090 0.491 47 S N 2.872 118.706 115.700 0.223 0.000 2.509 47 S HA 0.423 5.196 4.470 0.374 -0.078 0.297 47 S C -1.466 173.336 174.600 0.336 0.000 1.118 47 S CA -1.006 57.395 58.200 0.337 0.000 1.074 47 S CB 1.690 65.152 63.200 0.437 0.000 1.038 47 S HN 0.680 9.061 8.310 0.118 0.000 0.498 48 V N 1.519 121.621 119.914 0.314 0.000 3.001 48 V HA 0.391 4.742 4.120 0.385 0.000 0.314 48 V C -1.467 174.735 176.094 0.180 0.000 1.099 48 V CA -2.249 60.236 62.300 0.309 0.000 0.989 48 V CB 4.049 36.063 31.823 0.319 0.000 1.040 48 V HN 0.207 8.455 8.190 0.270 0.104 0.434 49 V N 4.043 124.051 119.914 0.156 0.000 2.435 49 V HA 0.125 4.287 4.120 0.071 0.000 0.290 49 V C -1.655 174.481 176.094 0.071 0.000 1.030 49 V CA -0.957 61.398 62.300 0.093 0.000 0.881 49 V CB 0.913 32.786 31.823 0.085 0.000 0.983 49 V HN -0.101 8.204 8.190 0.191 0.000 0.445 50 V N 7.520 127.462 119.914 0.046 0.000 2.864 50 V HA 0.140 4.283 4.120 0.034 -0.003 0.314 50 V C -0.440 175.668 176.094 0.023 0.000 1.073 50 V CA -2.840 59.480 62.300 0.033 0.000 0.956 50 V CB 3.818 35.659 31.823 0.031 0.000 1.023 50 V HN 0.500 8.605 8.190 0.037 0.107 0.435 51 D N 4.226 124.637 120.400 0.018 0.000 2.357 51 D HA -0.280 4.487 4.640 0.014 -0.119 0.216 51 D C 0.274 176.580 176.300 0.010 0.000 0.973 51 D CA 2.204 56.212 54.000 0.013 0.000 0.912 51 D CB 0.214 41.020 40.800 0.009 0.000 0.900 51 D HN 0.354 8.613 8.370 0.016 0.120 0.501 52 G N -3.124 105.682 108.800 0.011 0.000 2.645 52 G HA2 -0.052 3.912 3.960 0.006 0.000 0.207 52 G HA3 -0.052 3.913 3.960 0.008 0.000 0.207 52 G C -0.976 173.926 174.900 0.004 0.000 1.145 52 G CA 0.136 45.241 45.100 0.007 0.000 0.831 52 G HN 0.104 8.300 8.290 0.013 0.103 0.563 53 E N -2.567 117.635 120.200 0.004 0.000 2.442 53 E HA 0.113 4.459 4.350 -0.006 0.000 0.278 53 E C -1.879 174.715 176.600 -0.010 0.000 1.082 53 E CA -1.104 55.292 56.400 -0.007 0.000 0.861 53 E CB 3.006 32.696 29.700 -0.016 0.000 1.462 53 E HN -0.520 7.846 8.360 0.010 0.000 0.458 54 V N 0.814 120.707 119.914 -0.035 0.000 2.546 54 V HA 0.143 4.379 4.120 -0.001 -0.116 0.284 54 V C -0.020 175.997 176.094 -0.129 0.000 1.050 54 V CA 0.177 62.447 62.300 -0.050 0.000 0.981 54 V CB 0.381 32.170 31.823 -0.058 0.000 0.990 54 V HN 0.284 8.448 8.190 -0.043 0.000 0.474 55 K N 5.976 126.331 120.400 -0.075 0.000 2.295 55 K HA 0.345 4.560 4.320 -0.174 0.000 0.239 55 K C -1.440 175.148 176.600 -0.020 0.000 0.991 55 K CA -2.053 54.181 56.287 -0.088 0.000 0.845 55 K CB 3.148 35.668 32.500 0.033 0.000 1.197 55 K HN 0.928 9.072 8.250 0.014 0.114 0.441 56 H N 0.446 119.554 119.070 0.065 0.000 2.418 56 H HA 0.281 4.884 4.556 0.079 0.000 0.238 56 H C -0.485 174.874 175.328 0.053 0.000 1.403 56 H CA -1.953 54.132 56.048 0.063 0.000 1.419 56 H CB -1.118 28.671 29.762 0.044 0.000 1.463 56 H HN 0.197 8.498 8.280 0.035 0.000 0.515 57 C N 2.587 122.001 119.300 0.189 0.000 2.679 57 C HA -0.189 4.284 4.460 0.023 0.000 0.417 57 C C -0.805 174.231 174.990 0.078 0.000 1.302 57 C CA 0.639 59.709 59.018 0.086 0.000 1.973 57 C CB 1.276 29.074 27.740 0.097 0.000 2.715 57 C HN 0.347 8.716 8.230 0.232 0.000 0.628 58 V N 3.868 123.794 119.914 0.019 0.000 2.483 58 V HA 0.099 4.253 4.120 0.057 0.000 0.295 58 V C -1.793 174.318 176.094 0.028 0.000 1.035 58 V CA -0.773 61.545 62.300 0.029 0.000 0.896 58 V CB 1.563 33.390 31.823 0.007 0.000 0.986 58 V HN 0.085 8.253 8.190 -0.036 0.000 0.447 59 I N 6.601 127.227 120.570 0.093 0.000 2.569 59 I HA 0.145 4.368 4.170 0.089 0.000 0.296 59 I C -2.466 173.745 176.117 0.157 0.000 1.028 59 I CA -1.219 60.161 61.300 0.133 0.000 1.082 59 I CB 3.430 41.541 38.000 0.185 0.000 1.264 59 I HN 0.341 8.512 8.210 0.113 0.106 0.429 60 N N 4.280 123.055 118.700 0.124 0.000 2.500 60 N HA 0.133 4.987 4.740 0.190 0.000 0.291 60 N C -2.105 173.410 175.510 0.008 0.000 1.092 60 N CA -1.218 51.893 53.050 0.102 0.000 0.890 60 N CB 2.175 40.679 38.487 0.028 0.000 1.466 60 N HN 0.133 8.550 8.380 0.110 0.029 0.507 61 K N 5.194 125.612 120.400 0.029 0.000 2.262 61 K HA 0.082 4.151 4.320 -0.668 -0.150 0.282 61 K C -1.012 175.422 176.600 -0.278 0.000 1.066 61 K CA -0.658 55.467 56.287 -0.269 0.000 0.901 61 K CB 0.851 33.310 32.500 -0.069 0.000 1.089 61 K HN 0.093 8.484 8.250 0.236 0.000 0.476 62 T N 4.248 118.513 114.554 -0.482 0.000 2.865 62 T HA 0.249 4.509 4.350 -0.148 0.000 0.294 62 T C 0.515 175.073 174.700 -0.236 0.000 1.119 62 T CA -1.221 60.732 62.100 -0.246 0.000 1.007 62 T CB 2.709 71.485 68.868 -0.153 0.000 1.225 62 T HN 0.298 7.929 8.240 -0.879 0.081 0.515 63 A N 1.205 123.969 122.820 -0.093 0.000 1.985 63 A HA -0.216 4.106 4.320 0.004 0.000 0.223 63 A C -0.167 177.421 177.584 0.008 0.000 1.189 63 A CA 2.917 54.941 52.037 -0.022 0.000 0.658 63 A CB -0.634 18.365 19.000 -0.001 0.000 0.820 63 A HN 0.597 8.706 8.150 -0.068 0.000 0.464 64 T N -3.809 110.728 114.554 -0.028 0.000 3.571 64 T HA 0.103 4.555 4.350 0.169 0.000 0.292 64 T C -1.413 173.293 174.700 0.009 0.000 0.994 64 T CA -0.169 61.965 62.100 0.056 0.000 0.996 64 T CB 0.173 69.074 68.868 0.056 0.000 1.185 64 T HN -0.487 7.690 8.240 -0.067 0.023 0.482 65 G N -0.251 108.402 108.800 -0.247 0.000 2.619 65 G HA2 0.323 4.292 3.960 0.015 0.000 0.296 65 G HA3 0.323 4.172 3.960 -0.185 0.000 0.296 65 G C -2.613 171.890 174.900 -0.661 0.000 1.334 65 G CA -0.226 44.741 45.100 -0.221 0.000 0.934 65 G HN -0.049 7.872 8.290 -0.484 0.078 0.476 66 Y N -1.416 118.929 120.300 0.076 0.000 2.937 66 Y HA -0.039 4.549 4.550 0.085 0.013 0.316 66 Y C -0.103 175.855 175.900 0.097 0.000 0.925 66 Y CA 0.392 58.546 58.100 0.091 0.000 1.110 66 Y CB 2.215 40.741 38.460 0.111 0.000 1.436 66 Y HN 0.328 8.672 8.280 0.107 0.000 0.573 67 G N 0.276 109.178 108.800 0.169 0.000 4.024 67 G HA2 -0.357 3.570 3.960 -0.056 0.000 0.206 67 G HA3 -0.357 3.645 3.960 0.070 0.000 0.206 67 G C -0.876 173.971 174.900 -0.088 0.000 1.608 67 G CA 0.138 45.250 45.100 0.020 0.000 1.221 67 G HN -0.184 8.191 8.290 0.141 0.000 0.623 68 F N 5.718 125.714 119.950 0.078 0.000 2.371 68 F HA 0.058 4.668 4.527 0.138 0.000 0.363 68 F C -1.796 174.161 175.800 0.262 0.000 1.122 68 F CA -0.723 57.340 58.000 0.105 0.000 1.129 68 F CB 0.448 39.384 39.000 -0.107 0.000 1.173 68 F HN -0.616 7.917 8.300 0.452 0.039 0.489 69 A N 4.049 127.081 122.820 0.354 0.000 2.045 69 A HA 0.099 4.799 4.320 0.332 -0.181 0.298 69 A C -2.314 175.382 177.584 0.186 0.000 1.052 69 A CA 0.301 52.518 52.037 0.300 0.000 0.961 69 A CB 1.159 20.339 19.000 0.299 0.000 1.350 69 A HN 0.252 8.548 8.150 0.243 0.000 0.352 70 E N 3.330 123.631 120.200 0.169 0.000 2.244 70 E HA 0.522 4.936 4.350 0.108 0.000 0.266 70 E C -1.570 175.095 176.600 0.108 0.000 0.914 70 E CA -3.062 53.416 56.400 0.131 0.000 0.794 70 E CB 0.998 30.784 29.700 0.145 0.000 1.210 70 E HN 0.960 10.079 8.360 0.195 -0.643 0.414 71 P HA -0.264 4.175 4.420 0.032 0.000 0.222 71 P C 0.087 177.423 177.300 0.059 0.000 1.155 71 P CA 2.314 65.451 63.100 0.061 0.000 0.890 71 P CB -0.103 31.637 31.700 0.067 0.000 0.790 72 Y N -4.176 116.122 120.300 -0.004 0.000 2.200 72 Y HA -0.215 4.323 4.550 -0.021 0.000 0.290 72 Y C -0.643 175.228 175.900 -0.049 0.000 1.137 72 Y CA 1.592 59.682 58.100 -0.017 0.000 1.163 72 Y CB 0.760 39.220 38.460 0.001 0.000 0.988 72 Y HN -0.253 8.154 8.280 0.236 0.015 0.518 73 N N -2.923 115.825 118.700 0.079 0.000 2.269 73 N HA 0.077 4.637 4.740 -0.299 0.000 0.304 73 N C -2.234 173.211 175.510 -0.109 0.000 1.072 73 N CA -1.213 51.775 53.050 -0.103 0.000 0.802 73 N CB 1.859 40.372 38.487 0.044 0.000 1.348 73 N HN -0.253 8.167 8.380 0.212 0.087 0.484 74 L N 1.035 122.087 121.223 -0.286 0.000 2.573 74 L HA 0.177 4.515 4.340 -0.004 0.000 0.260 74 L C -1.350 175.333 176.870 -0.311 0.000 0.997 74 L CA -0.213 54.527 54.840 -0.167 0.000 0.890 74 L CB 1.040 43.027 42.059 -0.119 0.000 1.179 74 L HN 0.089 8.045 8.230 -0.457 0.000 0.439 75 Y N 4.032 124.255 120.300 -0.128 0.000 2.377 75 Y HA -0.058 4.380 4.550 -0.187 0.000 0.330 75 Y C -0.170 175.496 175.900 -0.391 0.000 1.108 75 Y CA 0.747 58.725 58.100 -0.202 0.000 1.308 75 Y CB 0.518 38.897 38.460 -0.134 0.000 1.216 75 Y HN -0.456 7.971 8.280 0.245 0.000 0.518 76 S N 4.283 119.843 115.700 -0.232 0.000 2.456 76 S HA -0.003 4.119 4.470 -0.579 0.000 0.224 76 S C -0.615 173.790 174.600 -0.325 0.000 1.035 76 S CA 1.172 59.155 58.200 -0.361 0.000 0.940 76 S CB 0.746 63.829 63.200 -0.194 0.000 0.799 76 S HN 0.412 8.629 8.310 -0.155 0.000 0.508 77 S N -0.488 115.123 115.700 -0.147 0.000 2.599 77 S HA 0.207 4.644 4.470 -0.055 0.000 0.294 77 S C -0.172 174.409 174.600 -0.032 0.000 1.094 77 S CA -0.857 57.304 58.200 -0.064 0.000 0.931 77 S CB 2.301 65.488 63.200 -0.022 0.000 1.093 77 S HN -0.595 7.663 8.310 -0.088 0.000 0.488 78 L N 3.452 124.678 121.223 0.004 0.000 2.201 78 L HA -0.304 4.011 4.340 -0.041 0.000 0.212 78 L C 1.595 178.407 176.870 -0.097 0.000 1.105 78 L CA 3.224 58.055 54.840 -0.014 0.000 0.775 78 L CB -0.211 41.883 42.059 0.057 0.000 0.913 78 L HN 0.561 8.811 8.230 0.032 0.000 0.440 79 K N -1.413 118.956 120.400 -0.051 0.000 2.063 79 K HA -0.413 3.735 4.320 -0.286 0.000 0.208 79 K C 2.239 178.709 176.600 -0.217 0.000 1.048 79 K CA 4.088 60.288 56.287 -0.146 0.000 0.928 79 K CB -0.587 31.902 32.500 -0.020 0.000 0.713 79 K HN 0.139 8.376 8.250 0.016 0.023 0.442 80 E N -0.769 119.366 120.200 -0.109 0.000 2.106 80 E HA -0.209 4.092 4.350 -0.081 0.000 0.192 80 E C 1.787 178.330 176.600 -0.095 0.000 0.984 80 E CA 2.338 58.712 56.400 -0.044 0.000 0.806 80 E CB -0.661 29.089 29.700 0.083 0.000 0.750 80 E HN -0.652 7.668 8.360 -0.061 0.003 0.458 81 L N 0.299 121.387 121.223 -0.226 0.000 2.012 81 L HA -0.392 3.352 4.340 -0.993 0.000 0.210 81 L C 1.613 178.188 176.870 -0.491 0.000 1.073 81 L CA 3.454 57.965 54.840 -0.549 0.000 0.748 81 L CB -0.098 41.694 42.059 -0.446 0.000 0.891 81 L HN -0.607 7.420 8.230 -0.155 0.110 0.431 82 V N -1.016 118.617 119.914 -0.468 0.000 2.343 82 V HA -0.486 3.328 4.120 -0.509 0.000 0.247 82 V C 2.395 178.123 176.094 -0.610 0.000 1.051 82 V CA 3.681 65.645 62.300 -0.561 0.000 1.036 82 V CB -0.886 30.468 31.823 -0.782 0.000 0.654 82 V HN -0.066 7.867 8.190 -0.430 0.000 0.451 83 L N -1.896 118.979 121.223 -0.580 0.000 1.994 83 L HA -0.474 3.380 4.340 -0.810 0.000 0.208 83 L C 2.268 178.969 176.870 -0.283 0.000 1.071 83 L CA 3.213 57.737 54.840 -0.527 0.000 0.745 83 L CB -0.562 41.285 42.059 -0.354 0.000 0.892 83 L HN -0.583 7.343 8.230 -0.506 0.000 0.431 84 H N -1.305 117.631 119.070 -0.223 0.000 2.395 84 H HA -0.307 4.230 4.556 -0.032 0.000 0.299 84 H C 2.453 177.678 175.328 -0.171 0.000 1.070 84 H CA 3.588 59.585 56.048 -0.085 0.000 1.356 84 H CB 0.999 30.848 29.762 0.144 0.000 1.401 84 H HN 0.001 8.255 8.280 -0.044 0.000 0.524 85 Y N 0.455 120.504 120.300 -0.419 0.000 2.384 85 Y HA -0.350 3.903 4.550 -0.495 0.000 0.289 85 Y C 0.922 176.527 175.900 -0.492 0.000 1.152 85 Y CA 2.652 60.417 58.100 -0.558 0.000 1.258 85 Y CB -0.353 37.638 38.460 -0.781 0.000 0.979 85 Y HN 0.733 8.768 8.280 -0.221 0.113 0.549 86 Q N -2.483 117.041 119.800 -0.460 0.000 2.269 86 Q HA -0.257 3.913 4.340 -0.511 -0.136 0.201 86 Q C 0.873 176.666 176.000 -0.345 0.000 0.946 86 Q CA 2.209 57.753 55.803 -0.432 0.000 0.877 86 Q CB -0.033 28.505 28.738 -0.335 0.000 0.963 86 Q HN -0.656 7.221 8.270 -0.386 0.161 0.472 87 H N -1.932 116.867 119.070 -0.451 0.000 2.575 87 H HA 0.152 4.525 4.556 -0.306 0.000 0.267 87 H C -0.070 174.997 175.328 -0.436 0.000 0.966 87 H CA 0.682 56.490 56.048 -0.400 0.000 1.165 87 H CB 1.109 30.641 29.762 -0.382 0.000 1.433 87 H HN -0.276 7.645 8.280 -0.329 0.161 0.544 88 T N 2.303 116.536 114.554 -0.536 0.000 2.837 88 T HA 0.160 4.294 4.350 -0.359 0.000 0.285 88 T C -1.556 172.923 174.700 -0.368 0.000 0.984 88 T CA -0.051 61.810 62.100 -0.398 0.000 1.049 88 T CB 1.115 69.864 68.868 -0.199 0.000 0.947 88 T HN -0.437 7.310 8.240 -0.538 0.171 0.472 89 S N 4.448 120.004 115.700 -0.241 0.000 2.513 89 S HA 0.182 4.654 4.470 -0.248 -0.151 0.276 89 S C 1.357 175.911 174.600 -0.076 0.000 1.254 89 S CA -1.332 56.755 58.200 -0.188 0.000 1.053 89 S CB 0.644 63.761 63.200 -0.139 0.000 0.958 89 S HN 0.251 8.445 8.310 -0.193 0.000 0.491 90 L N 7.868 129.048 121.223 -0.071 0.000 2.376 90 L HA -0.028 4.528 4.340 0.360 0.000 0.219 90 L C 1.746 178.719 176.870 0.173 0.000 1.133 90 L CA 1.677 56.608 54.840 0.152 0.000 0.816 90 L CB -0.517 41.599 42.059 0.096 0.000 0.933 90 L HN 1.019 9.155 8.230 -0.158 0.000 0.449 91 V N 1.687 121.634 119.914 0.054 0.000 2.311 91 V HA -0.641 3.577 4.120 0.045 -0.071 0.256 91 V C 1.329 177.444 176.094 0.035 0.000 1.077 91 V CA 4.019 66.341 62.300 0.036 0.000 1.067 91 V CB -0.617 31.203 31.823 -0.006 0.000 0.659 91 V HN 0.109 8.254 8.190 0.001 0.046 0.451 92 Q N -2.777 117.025 119.800 0.003 0.000 2.217 92 Q HA -0.370 3.924 4.340 -0.077 0.000 0.209 92 Q C 1.281 177.180 176.000 -0.169 0.000 0.988 92 Q CA 2.236 57.978 55.803 -0.100 0.000 0.878 92 Q CB 0.091 28.732 28.738 -0.161 0.000 0.909 92 Q HN -0.436 7.835 8.270 0.017 0.010 0.424 93 H N 1.416 120.523 119.070 0.061 0.000 2.646 93 H HA 0.032 4.615 4.556 0.046 0.000 0.325 93 H C -0.113 175.238 175.328 0.039 0.000 1.075 93 H CA 1.553 57.636 56.048 0.058 0.000 1.421 93 H CB 0.098 29.916 29.762 0.094 0.000 1.461 93 H HN 0.488 8.712 8.280 0.173 0.160 0.525 94 N N 3.128 121.897 118.700 0.115 0.000 2.765 94 N HA -0.444 4.328 4.740 0.053 0.000 0.248 94 N C -0.543 174.993 175.510 0.043 0.000 1.063 94 N CA 1.678 54.771 53.050 0.071 0.000 0.862 94 N CB -0.823 37.712 38.487 0.081 0.000 1.145 94 N HN 0.933 9.373 8.380 0.099 0.000 0.581 95 D N -3.564 116.853 120.400 0.030 0.000 2.737 95 D HA -0.336 4.448 4.640 -0.001 -0.144 0.233 95 D C -0.460 175.850 176.300 0.017 0.000 1.155 95 D CA 1.702 55.708 54.000 0.010 0.000 0.667 95 D CB -0.921 39.878 40.800 -0.002 0.000 1.060 95 D HN -0.306 7.881 8.370 0.028 0.200 0.427 96 S N -4.562 111.159 115.700 0.034 0.000 3.004 96 S HA 0.062 4.541 4.470 0.015 0.000 0.244 96 S C -0.724 173.897 174.600 0.035 0.000 0.870 96 S CA 0.340 58.556 58.200 0.026 0.000 1.267 96 S CB 1.711 64.925 63.200 0.024 0.000 1.208 96 S HN -0.335 7.988 8.310 0.054 0.020 0.624 97 L N 3.103 124.359 121.223 0.054 0.000 2.556 97 L HA 0.093 4.460 4.340 0.045 0.000 0.245 97 L C -1.825 175.061 176.870 0.027 0.000 1.174 97 L CA -0.951 53.923 54.840 0.058 0.000 1.117 97 L CB -1.302 40.824 42.059 0.111 0.000 1.409 97 L HN -0.724 7.545 8.230 0.065 0.000 0.411 98 N N 3.920 122.624 118.700 0.006 0.000 2.549 98 N HA -0.071 4.652 4.740 -0.027 0.000 0.267 98 N C -1.173 174.318 175.510 -0.032 0.000 1.182 98 N CA 0.475 53.514 53.050 -0.018 0.000 1.019 98 N CB -0.070 38.407 38.487 -0.017 0.000 1.380 98 N HN -0.311 8.035 8.380 0.010 0.040 0.505 99 V N 3.419 123.298 119.914 -0.058 0.000 3.278 99 V HA 0.240 4.317 4.120 -0.073 0.000 0.288 99 V C -3.200 172.790 176.094 -0.174 0.000 1.514 99 V CA -1.415 60.835 62.300 -0.083 0.000 1.051 99 V CB 3.634 35.433 31.823 -0.040 0.000 1.163 99 V HN 0.023 8.153 8.190 -0.064 0.021 0.458 100 T N 0.874 115.303 114.554 -0.208 0.000 2.921 100 T HA 0.363 4.530 4.350 -0.499 -0.115 0.297 100 T C -0.792 173.693 174.700 -0.359 0.000 1.013 100 T CA -2.575 59.310 62.100 -0.359 0.000 0.990 100 T CB 1.984 70.662 68.868 -0.316 0.000 1.023 100 T HN -0.140 8.014 8.240 -0.144 0.000 0.447 101 L N 5.218 126.099 121.223 -0.569 0.000 2.827 101 L HA -0.156 4.190 4.340 -0.233 -0.146 0.280 101 L C -1.089 175.595 176.870 -0.310 0.000 1.122 101 L CA 0.233 54.798 54.840 -0.457 0.000 1.044 101 L CB -1.467 40.083 42.059 -0.849 0.000 1.402 101 L HN -0.036 7.650 8.230 -0.907 0.000 0.467 102 A N 8.018 130.733 122.820 -0.176 0.000 1.887 102 A HA 0.128 4.218 4.320 -0.384 0.000 0.210 102 A C -0.331 176.941 177.584 -0.521 0.000 1.221 102 A CA 0.976 52.806 52.037 -0.344 0.000 0.635 102 A CB 1.317 20.176 19.000 -0.234 0.000 0.881 102 A HN 0.945 8.918 8.150 -0.067 0.136 0.456 103 Y N -3.329 117.046 120.300 0.125 0.000 2.425 103 Y HA 0.366 4.978 4.550 0.104 0.000 0.344 103 Y C -2.610 173.446 175.900 0.259 0.000 0.969 103 Y CA -3.187 54.999 58.100 0.142 0.000 1.052 103 Y CB 1.159 39.668 38.460 0.082 0.000 1.215 103 Y HN -0.698 7.721 8.280 0.231 0.000 0.451 104 P HA -0.080 4.669 4.420 0.549 0.000 0.270 104 P C 0.284 177.745 177.300 0.268 0.000 1.221 104 P CA -0.143 63.221 63.100 0.441 0.000 0.788 104 P CB 0.635 32.629 31.700 0.491 0.000 0.904 105 V N 0.777 120.785 119.914 0.157 0.000 2.548 105 V HA -0.256 3.865 4.120 0.002 0.000 0.249 105 V C -0.903 175.101 176.094 -0.150 0.000 1.055 105 V CA 1.539 63.834 62.300 -0.008 0.000 1.065 105 V CB 0.694 32.483 31.823 -0.058 0.000 0.681 105 V HN -0.007 8.268 8.190 0.141 0.000 0.462 106 Y N -3.985 116.351 120.300 0.059 0.000 2.751 106 Y HA 0.084 4.649 4.550 0.026 0.000 0.289 106 Y C 0.468 176.403 175.900 0.057 0.000 1.110 106 Y CA -1.364 56.755 58.100 0.032 0.000 1.251 106 Y CB -0.696 37.756 38.460 -0.014 0.000 1.178 106 Y HN 0.261 8.572 8.280 0.259 0.123 0.540 107 A N 0.070 122.999 122.820 0.181 0.000 1.898 107 A HA -0.186 4.245 4.320 0.184 0.000 0.214 107 A C 0.122 177.769 177.584 0.106 0.000 1.183 107 A CA 2.541 54.679 52.037 0.169 0.000 0.622 107 A CB -0.001 19.121 19.000 0.203 0.000 0.824 107 A HN -0.820 7.338 8.150 0.146 0.079 0.444 108 Q N -2.992 116.843 119.800 0.059 0.000 2.224 108 Q HA -0.239 4.109 4.340 0.013 0.000 0.203 108 Q C 0.225 176.252 176.000 0.045 0.000 0.970 108 Q CA 1.505 57.321 55.803 0.021 0.000 0.865 108 Q CB 0.157 28.881 28.738 -0.024 0.000 0.922 108 Q HN 0.158 8.455 8.270 0.044 0.000 0.445 109 Q N -1.576 118.275 119.800 0.086 0.000 2.274 109 Q HA 0.047 4.431 4.340 0.074 0.000 0.256 109 Q C -1.209 174.857 176.000 0.110 0.000 0.927 109 Q CA -0.303 55.568 55.803 0.113 0.000 0.939 109 Q CB 0.622 29.481 28.738 0.202 0.000 1.201 109 Q HN -0.174 8.135 8.270 0.100 0.021 0.426 110 R N 1.273 121.814 120.500 0.069 0.000 2.795 110 R HA 0.258 4.629 4.340 0.052 0.000 0.275 110 R C -0.739 175.579 176.300 0.029 0.000 0.981 110 R CA -0.950 55.180 56.100 0.049 0.000 0.917 110 R CB 2.510 32.836 30.300 0.044 0.000 1.202 110 R HN 0.205 8.509 8.270 0.057 0.000 0.469 111 R N 0.000 120.508 120.500 0.014 0.000 2.786 111 R HA 0.000 4.344 4.340 0.006 0.000 0.208 111 R CA 0.000 56.102 56.100 0.003 0.000 0.921 111 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 111 R HN 0.000 8.277 8.270 0.012 0.000 0.535