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 2jn3_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFSGTWQVYA QENYEEFLKA LALPEDLIKM ARDIKPIVEI QQKGDDFVVT DATA SEQUENCE SKTPRQTVTN SFTLGKEADI TTMDGKKLKC TVHLANGKLV TKSEKFSHEQ DATA SEQUENCE EVKGNEMVET ITFGGVTLIR RSKRV 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 A HA 0.000 4.370 4.320 0.083 0.000 0.244 1 A C 0.000 177.656 177.584 0.121 0.000 1.274 1 A CA 0.000 52.093 52.037 0.094 0.000 0.836 1 A CB 0.000 19.093 19.000 0.155 0.000 0.831 2 F N -0.853 119.247 119.950 0.250 0.000 2.293 2 F HA -0.080 4.593 4.527 0.243 0.000 0.297 2 F C 0.615 176.695 175.800 0.468 0.000 1.089 2 F CA 2.330 60.516 58.000 0.310 0.000 1.377 2 F CB 0.581 39.728 39.000 0.245 0.000 1.051 2 F HN 0.553 9.222 8.300 0.615 0.000 0.511 3 S N -2.046 113.934 115.700 0.466 0.000 2.563 3 S HA -0.283 4.427 4.470 0.283 -0.071 0.284 3 S C 0.301 175.031 174.600 0.218 0.000 1.331 3 S CA 2.001 60.375 58.200 0.290 0.000 1.047 3 S CB 0.479 63.770 63.200 0.152 0.000 0.859 3 S HN -0.317 8.244 8.310 0.417 0.000 0.514 4 G N 3.919 112.767 108.800 0.079 0.000 2.343 4 G HA2 -0.129 3.736 3.960 -0.159 0.000 0.465 4 G HA3 -0.129 3.625 3.960 -0.343 0.000 0.465 4 G C -2.552 172.148 174.900 -0.332 0.000 1.282 4 G CA -0.434 44.550 45.100 -0.194 0.000 0.996 4 G HN 0.617 8.877 8.290 0.108 0.095 0.521 5 T N 2.101 116.336 114.554 -0.532 0.000 2.794 5 T HA 0.390 4.645 4.350 -0.158 0.000 0.280 5 T C -0.966 173.364 174.700 -0.616 0.000 0.987 5 T CA 1.028 62.899 62.100 -0.381 0.000 0.993 5 T CB 1.721 70.460 68.868 -0.215 0.000 0.939 5 T HN 0.261 8.171 8.240 -0.550 0.000 0.449 6 W N 5.516 126.846 121.300 0.049 0.000 2.666 6 W HA 0.594 5.506 4.660 0.040 -0.228 0.334 6 W C -1.683 174.873 176.519 0.062 0.000 1.051 6 W CA -1.722 55.656 57.345 0.056 0.000 1.224 6 W CB 3.539 33.047 29.460 0.079 0.000 1.405 6 W HN 0.668 8.952 8.180 0.173 0.000 0.513 7 Q N 0.646 120.626 119.800 0.299 0.000 2.325 7 Q HA 0.339 4.783 4.340 0.173 0.000 0.270 7 Q C -1.217 174.944 176.000 0.268 0.000 1.020 7 Q CA -1.455 54.472 55.803 0.207 0.000 0.785 7 Q CB 3.528 32.338 28.738 0.120 0.000 1.259 7 Q HN 0.610 9.155 8.270 0.337 -0.073 0.452 8 V N 8.728 128.756 119.914 0.190 0.000 2.540 8 V HA -0.272 4.092 4.120 0.147 -0.155 0.297 8 V C 0.224 176.413 176.094 0.157 0.000 1.024 8 V CA 1.320 63.699 62.300 0.132 0.000 1.105 8 V CB -0.857 30.977 31.823 0.018 0.000 0.938 8 V HN 0.615 8.893 8.190 0.146 0.000 0.482 9 Y N 3.429 123.727 120.300 -0.003 0.000 2.610 9 Y HA 0.241 4.778 4.550 -0.023 0.000 0.254 9 Y C -1.516 174.367 175.900 -0.028 0.000 1.110 9 Y CA -1.518 56.574 58.100 -0.014 0.000 1.238 9 Y CB 0.860 39.325 38.460 0.008 0.000 1.322 9 Y HN 0.582 8.798 8.280 -0.106 0.000 0.547 10 A N 0.371 122.756 122.820 -0.726 0.000 2.512 10 A HA 0.239 4.365 4.320 -0.322 0.000 0.294 10 A C -2.990 174.358 177.584 -0.393 0.000 1.054 10 A CA 0.288 51.992 52.037 -0.556 0.000 0.756 10 A CB 1.701 20.214 19.000 -0.812 0.000 1.293 10 A HN -0.486 7.261 8.150 -0.671 0.000 0.395 11 Q N 2.707 122.362 119.800 -0.242 0.000 2.263 11 Q HA 0.417 4.822 4.340 -0.151 -0.156 0.266 11 Q C -1.425 174.541 176.000 -0.055 0.000 1.002 11 Q CA -1.019 54.696 55.803 -0.146 0.000 0.790 11 Q CB 2.614 31.250 28.738 -0.170 0.000 1.272 11 Q HN 0.165 8.310 8.270 -0.208 0.000 0.435 12 E N 4.776 124.954 120.200 -0.037 0.000 2.231 12 E HA 0.210 4.563 4.350 0.004 0.000 0.277 12 E C -0.593 176.032 176.600 0.042 0.000 0.999 12 E CA -1.205 55.194 56.400 -0.001 0.000 0.827 12 E CB 1.952 31.639 29.700 -0.023 0.000 1.101 12 E HN -0.214 8.107 8.360 -0.065 0.000 0.393 13 N N 2.542 121.280 118.700 0.063 0.000 2.713 13 N HA -0.422 4.363 4.740 0.075 0.000 0.251 13 N C 0.213 175.797 175.510 0.122 0.000 1.117 13 N CA 1.467 54.566 53.050 0.083 0.000 0.770 13 N CB -1.010 37.518 38.487 0.068 0.000 1.137 13 N HN 0.685 9.097 8.380 0.053 0.000 0.566 14 Y N -1.074 119.227 120.300 0.002 0.000 2.114 14 Y HA -0.578 3.964 4.550 -0.014 0.000 0.282 14 Y C 1.051 176.992 175.900 0.068 0.000 1.165 14 Y CA 4.575 62.681 58.100 0.010 0.000 1.148 14 Y CB 0.034 38.476 38.460 -0.029 0.000 0.972 14 Y HN -0.242 8.108 8.280 0.220 0.062 0.504 15 E N -2.202 118.064 120.200 0.110 0.000 2.047 15 E HA -0.409 3.902 4.350 -0.065 0.000 0.191 15 E C 2.235 178.815 176.600 -0.033 0.000 0.987 15 E CA 3.717 60.123 56.400 0.010 0.000 0.799 15 E CB -1.038 28.715 29.700 0.087 0.000 0.752 15 E HN 0.394 8.897 8.360 0.239 0.000 0.449 16 E N -0.413 119.800 120.200 0.020 0.000 2.012 16 E HA -0.313 4.034 4.350 -0.005 0.000 0.197 16 E C 2.131 178.735 176.600 0.005 0.000 1.007 16 E CA 2.833 59.243 56.400 0.017 0.000 0.816 16 E CB -0.342 29.388 29.700 0.050 0.000 0.762 16 E HN -0.075 8.316 8.360 0.052 0.000 0.451 17 F N 0.726 120.612 119.950 -0.107 0.000 2.063 17 F HA -0.386 4.115 4.527 -0.043 0.000 0.298 17 F C 2.462 178.129 175.800 -0.222 0.000 1.109 17 F CA 3.406 61.335 58.000 -0.118 0.000 1.212 17 F CB 0.134 39.058 39.000 -0.126 0.000 0.973 17 F HN -0.012 8.405 8.300 0.195 0.000 0.480 18 L N -1.399 119.761 121.223 -0.106 0.000 2.013 18 L HA -0.612 3.510 4.340 -0.363 0.000 0.212 18 L C 2.293 178.951 176.870 -0.354 0.000 1.073 18 L CA 3.196 57.848 54.840 -0.314 0.000 0.753 18 L CB -0.447 41.391 42.059 -0.369 0.000 0.890 18 L HN -0.203 8.025 8.230 -0.003 0.000 0.432 19 K N -1.937 118.325 120.400 -0.229 0.000 2.107 19 K HA -0.483 3.750 4.320 -0.145 0.000 0.211 19 K C 2.464 178.940 176.600 -0.206 0.000 1.049 19 K CA 3.494 59.679 56.287 -0.170 0.000 0.927 19 K CB -0.478 31.962 32.500 -0.100 0.000 0.714 19 K HN 0.321 8.464 8.250 -0.179 0.000 0.452 20 A N -1.383 121.277 122.820 -0.267 0.000 2.015 20 A HA -0.159 4.123 4.320 -0.063 0.000 0.219 20 A C 1.367 178.724 177.584 -0.379 0.000 1.163 20 A CA 2.126 54.053 52.037 -0.183 0.000 0.646 20 A CB -0.526 18.408 19.000 -0.110 0.000 0.806 20 A HN -0.418 7.443 8.150 -0.299 0.110 0.448 21 L N -3.280 117.423 121.223 -0.866 0.000 2.349 21 L HA -0.308 2.498 4.340 -2.557 0.000 0.220 21 L C -0.098 176.506 176.870 -0.443 0.000 1.130 21 L CA 1.246 55.364 54.840 -1.204 0.000 0.791 21 L CB -0.191 41.337 42.059 -0.886 0.000 0.918 21 L HN 0.114 7.705 8.230 -0.770 0.176 0.444 22 A N -6.388 116.284 122.820 -0.247 0.000 3.061 22 A HA -0.377 3.899 4.320 -0.073 0.000 0.244 22 A C -0.821 176.703 177.584 -0.099 0.000 1.357 22 A CA 0.338 52.315 52.037 -0.101 0.000 0.889 22 A CB -2.427 16.564 19.000 -0.015 0.000 1.092 22 A HN -0.659 7.167 8.150 -0.270 0.162 0.694 23 L N -1.656 119.483 121.223 -0.140 0.000 2.475 23 L HA 0.075 4.366 4.340 -0.081 0.000 0.253 23 L C -1.770 175.062 176.870 -0.063 0.000 1.198 23 L CA -1.728 53.053 54.840 -0.099 0.000 0.814 23 L CB -0.113 41.873 42.059 -0.122 0.000 1.134 23 L HN -0.278 7.809 8.230 -0.195 0.027 0.478 24 P HA 0.106 4.511 4.420 -0.025 0.000 0.276 24 P C 0.323 177.608 177.300 -0.025 0.000 1.230 24 P CA -0.828 62.255 63.100 -0.027 0.000 0.776 24 P CB 0.755 32.445 31.700 -0.017 0.000 0.888 25 E N 2.905 123.093 120.200 -0.020 0.000 2.097 25 E HA -0.446 3.892 4.350 -0.019 0.000 0.196 25 E C 1.446 178.042 176.600 -0.006 0.000 1.000 25 E CA 4.139 60.531 56.400 -0.015 0.000 0.804 25 E CB -0.774 28.919 29.700 -0.011 0.000 0.740 25 E HN 0.537 8.886 8.360 -0.019 0.000 0.454 26 D N -2.633 117.764 120.400 -0.004 0.000 2.228 26 D HA -0.227 4.416 4.640 0.004 0.000 0.203 26 D C 2.104 178.407 176.300 0.005 0.000 0.988 26 D CA 2.828 56.828 54.000 0.001 0.000 0.864 26 D CB -0.639 40.161 40.800 0.001 0.000 0.928 26 D HN 0.352 8.716 8.370 -0.006 0.002 0.469 27 L N -2.247 118.976 121.223 0.000 0.000 2.416 27 L HA 0.026 4.373 4.340 0.012 0.000 0.216 27 L C 0.946 177.825 176.870 0.014 0.000 1.098 27 L CA 1.759 56.603 54.840 0.006 0.000 0.840 27 L CB 0.502 42.557 42.059 -0.006 0.000 0.981 27 L HN -0.300 7.757 8.230 -0.007 0.169 0.462 28 I N -0.287 120.286 120.570 0.004 0.000 2.286 28 I HA -0.561 3.620 4.170 0.018 0.000 0.245 28 I C 1.296 177.438 176.117 0.042 0.000 1.104 28 I CA 3.783 65.091 61.300 0.014 0.000 1.397 28 I CB -0.015 37.977 38.000 -0.013 0.000 1.072 28 I HN -0.347 7.733 8.210 -0.006 0.127 0.417 29 K N -2.414 118.002 120.400 0.028 0.000 2.288 29 K HA -0.205 4.137 4.320 0.037 0.000 0.201 29 K C 2.226 178.846 176.600 0.034 0.000 1.048 29 K CA 2.841 59.146 56.287 0.031 0.000 0.956 29 K CB -0.249 32.262 32.500 0.018 0.000 0.746 29 K HN -0.234 8.026 8.250 0.016 0.000 0.461 30 M N -2.123 117.496 119.600 0.033 0.000 2.486 30 M HA 0.045 4.540 4.480 0.025 0.000 0.264 30 M C 0.929 177.255 176.300 0.044 0.000 1.125 30 M CA 1.053 56.371 55.300 0.031 0.000 1.144 30 M CB -0.048 32.566 32.600 0.023 0.000 1.353 30 M HN -0.580 7.593 8.290 0.030 0.135 0.466 31 A N -2.166 120.695 122.820 0.069 0.000 2.390 31 A HA 0.268 4.633 4.320 0.074 0.000 0.232 31 A C 0.164 177.857 177.584 0.182 0.000 1.233 31 A CA 0.302 52.403 52.037 0.107 0.000 0.907 31 A CB 0.386 19.458 19.000 0.120 0.000 0.967 31 A HN -0.058 8.131 8.150 0.066 0.000 0.512 32 R N -2.458 118.136 120.500 0.156 0.000 2.339 32 R HA -0.189 4.421 4.340 0.451 0.000 0.199 32 R C -1.139 175.184 176.300 0.038 0.000 1.018 32 R CA 1.394 57.617 56.100 0.204 0.000 1.036 32 R CB -0.600 29.778 30.300 0.130 0.000 0.899 32 R HN -0.696 7.574 8.270 0.104 0.062 0.473 33 D N -1.008 119.382 120.400 -0.016 0.000 3.216 33 D HA 0.036 4.595 4.640 -0.136 0.000 0.348 33 D C -1.705 174.550 176.300 -0.074 0.000 1.407 33 D CA -0.172 53.783 54.000 -0.076 0.000 0.744 33 D CB 0.599 41.381 40.800 -0.030 0.000 1.264 33 D HN -0.198 8.077 8.370 0.021 0.107 0.543 34 I N 0.464 120.976 120.570 -0.097 0.000 2.410 34 I HA 0.089 4.237 4.170 -0.037 0.000 0.286 34 I C -1.498 174.570 176.117 -0.082 0.000 1.009 34 I CA -0.698 60.569 61.300 -0.055 0.000 1.111 34 I CB 2.191 40.188 38.000 -0.005 0.000 1.262 34 I HN -0.810 7.313 8.210 -0.145 0.000 0.443 35 K N 9.045 129.411 120.400 -0.056 0.000 2.180 35 K HA 0.304 4.578 4.320 -0.078 0.000 0.250 35 K C -2.150 174.452 176.600 0.003 0.000 1.135 35 K CA -2.387 53.876 56.287 -0.041 0.000 1.037 35 K CB -0.952 31.537 32.500 -0.018 0.000 1.624 35 K HN 0.197 8.424 8.250 -0.039 0.000 0.382 36 P HA -0.026 4.416 4.420 0.036 0.000 0.276 36 P C -0.794 176.544 177.300 0.064 0.000 1.235 36 P CA -0.798 62.326 63.100 0.040 0.000 0.772 36 P CB 0.780 32.510 31.700 0.050 0.000 0.871 37 I N 3.366 123.977 120.570 0.069 0.000 2.886 37 I HA 0.041 4.365 4.170 0.116 -0.084 0.299 37 I C -0.405 175.783 176.117 0.118 0.000 1.044 37 I CA 0.316 61.673 61.300 0.096 0.000 1.310 37 I CB 1.783 39.825 38.000 0.070 0.000 1.441 37 I HN -0.503 7.740 8.210 0.056 0.000 0.578 38 V N 2.686 122.700 119.914 0.167 0.000 2.567 38 V HA 0.250 4.588 4.120 0.148 -0.128 0.298 38 V C -2.035 174.199 176.094 0.232 0.000 1.047 38 V CA -0.738 61.677 62.300 0.192 0.000 0.880 38 V CB 2.935 34.891 31.823 0.221 0.000 1.009 38 V HN 0.386 8.692 8.190 0.194 0.000 0.429 39 E N 7.865 128.165 120.200 0.167 0.000 2.216 39 E HA 0.472 5.017 4.350 0.134 -0.115 0.279 39 E C -1.518 175.195 176.600 0.188 0.000 0.997 39 E CA -1.203 55.284 56.400 0.145 0.000 0.817 39 E CB 2.637 32.381 29.700 0.073 0.000 1.096 39 E HN -0.151 8.289 8.360 0.134 0.000 0.393 40 I N 4.583 125.291 120.570 0.230 0.000 2.465 40 I HA 0.511 5.000 4.170 0.203 -0.197 0.291 40 I C -1.564 174.646 176.117 0.155 0.000 1.014 40 I CA -2.974 58.473 61.300 0.246 0.000 1.093 40 I CB 2.371 40.627 38.000 0.427 0.000 1.267 40 I HN 0.729 9.067 8.210 0.212 0.000 0.431 41 Q N 7.229 127.077 119.800 0.080 0.000 2.928 41 Q HA 0.191 4.548 4.340 0.028 0.000 0.353 41 Q C -1.472 174.481 176.000 -0.077 0.000 0.870 41 Q CA -1.409 54.399 55.803 0.009 0.000 0.963 41 Q CB 1.130 29.860 28.738 -0.013 0.000 1.419 41 Q HN 0.007 8.319 8.270 0.070 0.000 0.396 42 Q N 2.676 122.419 119.800 -0.095 0.000 2.614 42 Q HA -0.191 3.929 4.340 -0.624 -0.155 0.244 42 Q C -0.376 175.446 176.000 -0.296 0.000 1.097 42 Q CA 1.680 57.254 55.803 -0.381 0.000 0.986 42 Q CB 0.766 29.292 28.738 -0.353 0.000 1.308 42 Q HN -0.309 7.978 8.270 0.029 0.000 0.546 43 K N 0.828 120.994 120.400 -0.390 0.000 3.253 43 K HA 0.135 4.363 4.320 -0.153 0.000 0.171 43 K C -1.237 175.239 176.600 -0.206 0.000 1.035 43 K CA -0.304 55.852 56.287 -0.220 0.000 1.013 43 K CB 0.971 33.369 32.500 -0.171 0.000 0.674 43 K HN 0.069 7.942 8.250 -0.627 0.000 0.407 44 G N 0.490 109.140 108.800 -0.249 0.000 1.829 44 G HA2 -0.258 3.653 3.960 -0.083 0.000 0.214 44 G HA3 -0.258 3.640 3.960 -0.104 0.000 0.214 44 G C -1.297 173.515 174.900 -0.146 0.000 1.627 44 G CA 0.072 45.087 45.100 -0.142 0.000 1.390 44 G HN 0.097 8.187 8.290 -0.333 0.000 0.458 45 D N 3.436 123.778 120.400 -0.097 0.000 2.441 45 D HA 0.324 5.090 4.640 0.209 0.000 0.210 45 D C -1.766 174.609 176.300 0.124 0.000 1.102 45 D CA -0.059 53.990 54.000 0.081 0.000 0.840 45 D CB 1.265 42.120 40.800 0.093 0.000 0.990 45 D HN 0.310 8.622 8.370 -0.098 0.000 0.505 46 D N -1.592 118.700 120.400 -0.181 0.000 2.268 46 D HA 0.113 4.832 4.640 0.132 0.000 0.249 46 D C -1.486 174.470 176.300 -0.573 0.000 1.008 46 D CA 0.247 54.168 54.000 -0.133 0.000 0.939 46 D CB 2.407 43.123 40.800 -0.139 0.000 1.170 46 D HN -0.628 7.583 8.370 -0.265 0.000 0.468 47 F N -1.240 118.412 119.950 -0.496 0.000 2.569 47 F HA 0.270 4.626 4.527 -0.286 0.000 0.312 47 F C -1.900 173.548 175.800 -0.586 0.000 1.109 47 F CA -0.722 56.949 58.000 -0.548 0.000 0.919 47 F CB 4.112 42.661 39.000 -0.751 0.000 1.211 47 F HN 0.398 8.536 8.300 -0.270 0.000 0.446 48 V N 2.484 122.302 119.914 -0.161 0.000 2.304 48 V HA 0.130 4.164 4.120 -0.142 0.000 0.278 48 V C -1.547 174.552 176.094 0.009 0.000 1.018 48 V CA -0.824 61.416 62.300 -0.099 0.000 0.814 48 V CB 0.780 32.563 31.823 -0.068 0.000 1.021 48 V HN 0.438 8.569 8.190 -0.098 0.000 0.440 49 V N 9.556 129.497 119.914 0.046 0.000 2.394 49 V HA 0.567 4.984 4.120 0.144 -0.210 0.282 49 V C -0.913 175.241 176.094 0.101 0.000 1.031 49 V CA -1.786 60.590 62.300 0.126 0.000 0.881 49 V CB 1.424 33.367 31.823 0.200 0.000 0.982 49 V HN 0.287 8.485 8.190 0.014 0.000 0.451 50 T N 11.214 125.827 114.554 0.098 0.000 2.963 50 T HA 0.241 4.632 4.350 0.069 0.000 0.328 50 T C -1.153 173.596 174.700 0.081 0.000 1.048 50 T CA -0.474 61.671 62.100 0.075 0.000 1.033 50 T CB 1.054 69.956 68.868 0.056 0.000 1.010 50 T HN 0.469 8.778 8.240 0.115 0.000 0.469 51 S N 7.797 123.544 115.700 0.078 0.000 2.565 51 S HA 0.471 5.203 4.470 0.090 -0.208 0.274 51 S C -0.822 173.813 174.600 0.059 0.000 1.309 51 S CA 0.352 58.598 58.200 0.076 0.000 1.043 51 S CB 1.041 64.286 63.200 0.074 0.000 0.939 51 S HN 0.193 8.548 8.310 0.074 0.000 0.504 52 K N 5.183 125.616 120.400 0.056 0.000 2.604 52 K HA 0.311 4.654 4.320 0.038 0.000 0.247 52 K C -1.101 175.522 176.600 0.038 0.000 0.956 52 K CA -0.843 55.469 56.287 0.042 0.000 0.896 52 K CB 2.716 35.238 32.500 0.037 0.000 1.131 52 K HN 0.240 8.528 8.250 0.064 0.000 0.440 53 T N 5.532 120.107 114.554 0.034 0.000 2.881 53 T HA 0.323 4.691 4.350 0.031 0.000 0.278 53 T C -1.514 173.200 174.700 0.023 0.000 0.982 53 T CA -2.994 59.124 62.100 0.030 0.000 0.989 53 T CB 0.030 68.917 68.868 0.032 0.000 1.058 53 T HN 0.334 8.515 8.240 0.034 0.079 0.529 54 P HA -0.048 4.381 4.420 0.014 0.000 0.222 54 P C -0.523 176.785 177.300 0.014 0.000 1.153 54 P CA 1.732 64.841 63.100 0.014 0.000 0.798 54 P CB 0.237 31.943 31.700 0.011 0.000 0.796 55 R N -2.486 118.023 120.500 0.016 0.000 2.237 55 R HA -0.064 4.283 4.340 0.013 0.000 0.195 55 R C -1.367 174.942 176.300 0.016 0.000 0.956 55 R CA 0.621 56.730 56.100 0.015 0.000 1.029 55 R CB 0.647 30.957 30.300 0.016 0.000 0.972 55 R HN 0.105 8.366 8.270 0.018 0.020 0.493 56 Q N -5.823 113.988 119.800 0.019 0.000 2.687 56 Q HA 0.100 4.450 4.340 0.018 0.000 0.295 56 Q C -2.853 173.161 176.000 0.023 0.000 0.920 56 Q CA -1.101 54.714 55.803 0.020 0.000 0.766 56 Q CB 2.579 31.329 28.738 0.020 0.000 1.467 56 Q HN -0.573 7.619 8.270 0.021 0.091 0.415 57 T N -2.415 112.153 114.554 0.024 0.000 2.881 57 T HA 0.328 4.697 4.350 0.031 0.000 0.291 57 T C -1.222 173.496 174.700 0.029 0.000 0.990 57 T CA -1.300 60.817 62.100 0.028 0.000 0.976 57 T CB 1.800 70.683 68.868 0.025 0.000 0.970 57 T HN 0.013 8.266 8.240 0.021 0.000 0.438 58 V N 6.405 126.340 119.914 0.035 0.000 2.487 58 V HA 0.326 4.465 4.120 0.032 0.000 0.298 58 V C -1.603 174.517 176.094 0.044 0.000 1.028 58 V CA -1.155 61.166 62.300 0.036 0.000 0.860 58 V CB 3.024 34.867 31.823 0.034 0.000 0.991 58 V HN 0.224 8.437 8.190 0.039 0.000 0.427 59 T N 8.301 122.881 114.554 0.043 0.000 2.888 59 T HA 0.229 4.614 4.350 0.058 0.000 0.284 59 T C -1.400 173.335 174.700 0.059 0.000 1.017 59 T CA -0.436 61.695 62.100 0.051 0.000 1.022 59 T CB 1.970 70.863 68.868 0.040 0.000 1.013 59 T HN 0.144 8.407 8.240 0.038 0.000 0.465 60 N N 4.172 122.918 118.700 0.077 0.000 2.277 60 N HA 0.279 5.071 4.740 0.087 0.000 0.286 60 N C -2.818 172.765 175.510 0.121 0.000 1.140 60 N CA 0.230 53.343 53.050 0.104 0.000 0.799 60 N CB 4.659 43.218 38.487 0.120 0.000 1.596 60 N HN 0.949 9.270 8.380 0.081 0.107 0.473 61 S N 0.647 116.422 115.700 0.125 0.000 2.541 61 S HA 0.597 5.030 4.470 -0.062 0.000 0.280 61 S C -2.049 172.632 174.600 0.135 0.000 1.112 61 S CA -0.580 57.644 58.200 0.040 0.000 0.925 61 S CB 1.926 65.124 63.200 -0.003 0.000 1.067 61 S HN 0.378 8.765 8.310 0.129 0.000 0.479 62 F N 0.844 120.834 119.950 0.067 0.000 2.711 62 F HA 0.622 5.177 4.527 0.047 0.000 0.313 62 F C -2.518 173.350 175.800 0.113 0.000 1.141 62 F CA -1.770 56.265 58.000 0.059 0.000 0.941 62 F CB 1.779 40.788 39.000 0.016 0.000 1.349 62 F HN 0.072 7.949 8.300 -0.705 0.000 0.464 63 T N 0.437 115.197 114.554 0.343 0.000 2.912 63 T HA 0.167 4.645 4.350 0.213 0.000 0.288 63 T C -1.483 173.443 174.700 0.377 0.000 1.030 63 T CA -0.879 61.385 62.100 0.273 0.000 1.020 63 T CB 2.422 71.382 68.868 0.153 0.000 1.056 63 T HN 0.250 8.707 8.240 0.362 0.000 0.480 64 L N 4.807 126.246 121.223 0.360 0.000 2.361 64 L HA -0.037 4.667 4.340 0.218 -0.233 0.278 64 L C 1.136 178.111 176.870 0.176 0.000 1.113 64 L CA 0.172 55.169 54.840 0.263 0.000 0.849 64 L CB 0.477 42.729 42.059 0.322 0.000 1.155 64 L HN 0.557 8.910 8.230 0.388 0.110 0.452 65 G N 5.212 114.093 108.800 0.136 0.000 2.141 65 G HA2 -0.367 3.642 3.960 0.083 0.000 0.231 65 G HA3 -0.367 3.648 3.960 0.092 0.000 0.231 65 G C -1.555 173.396 174.900 0.085 0.000 0.984 65 G CA -0.193 44.965 45.100 0.097 0.000 0.660 65 G HN 0.300 8.669 8.290 0.131 0.000 0.525 66 K N -0.116 120.345 120.400 0.101 0.000 2.501 66 K HA 0.199 4.558 4.320 0.065 0.000 0.252 66 K C -1.419 175.231 176.600 0.084 0.000 0.934 66 K CA -1.139 55.200 56.287 0.086 0.000 0.797 66 K CB 2.779 35.337 32.500 0.097 0.000 1.270 66 K HN -0.727 7.558 8.250 0.125 0.040 0.431 67 E N 5.944 126.179 120.200 0.059 0.000 2.351 67 E HA -0.248 4.123 4.350 0.036 0.000 0.266 67 E C -1.173 175.467 176.600 0.067 0.000 1.031 67 E CA 0.404 56.833 56.400 0.048 0.000 0.911 67 E CB 0.277 29.997 29.700 0.034 0.000 0.986 67 E HN 0.358 8.749 8.360 0.050 0.000 0.446 68 A N 7.645 130.510 122.820 0.074 0.000 2.380 68 A HA 0.396 4.776 4.320 0.101 0.000 0.315 68 A C -1.847 175.783 177.584 0.076 0.000 1.101 68 A CA -1.368 50.733 52.037 0.107 0.000 0.771 68 A CB 3.106 22.235 19.000 0.216 0.000 1.287 68 A HN -0.119 8.058 8.150 0.046 0.000 0.436 69 D N 1.700 122.147 120.400 0.078 0.000 2.308 69 D HA 0.085 4.757 4.640 0.053 0.000 0.251 69 D C -1.349 174.991 176.300 0.067 0.000 1.127 69 D CA 0.336 54.373 54.000 0.062 0.000 0.876 69 D CB 0.810 41.643 40.800 0.055 0.000 1.176 69 D HN 0.143 8.564 8.370 0.085 0.000 0.446 70 I N 2.770 123.369 120.570 0.048 0.000 2.646 70 I HA 0.354 4.559 4.170 0.058 0.000 0.299 70 I C -1.243 174.891 176.117 0.029 0.000 1.036 70 I CA -2.061 59.261 61.300 0.036 0.000 1.074 70 I CB 3.719 41.714 38.000 -0.009 0.000 1.258 70 I HN 0.752 8.884 8.210 0.047 0.106 0.430 71 T N 5.674 120.244 114.554 0.026 0.000 2.841 71 T HA 0.693 5.203 4.350 0.022 -0.147 0.283 71 T C -0.801 173.904 174.700 0.008 0.000 1.000 71 T CA -1.365 60.748 62.100 0.021 0.000 0.977 71 T CB 2.621 71.506 68.868 0.029 0.000 0.979 71 T HN 0.099 8.359 8.240 0.033 0.000 0.446 72 T N 2.598 117.152 114.554 -0.000 0.000 2.902 72 T HA 0.307 4.649 4.350 -0.014 0.000 0.280 72 T C 1.703 176.406 174.700 0.004 0.000 0.992 72 T CA -1.933 60.161 62.100 -0.010 0.000 1.015 72 T CB 2.086 70.937 68.868 -0.028 0.000 1.044 72 T HN 0.675 8.918 8.240 0.004 0.000 0.520 73 M N -0.101 119.504 119.600 0.009 0.000 2.562 73 M HA -0.230 4.262 4.480 0.020 0.000 0.257 73 M C -0.326 175.980 176.300 0.011 0.000 1.099 73 M CA 2.345 57.656 55.300 0.017 0.000 1.099 73 M CB 0.040 32.657 32.600 0.029 0.000 1.427 73 M HN 0.322 8.617 8.290 0.007 0.000 0.489 74 D N -6.223 114.176 120.400 -0.000 0.000 2.348 74 D HA -0.102 4.537 4.640 -0.000 0.000 0.211 74 D C 0.485 176.784 176.300 -0.001 0.000 0.998 74 D CA -0.246 53.751 54.000 -0.005 0.000 0.873 74 D CB 0.103 40.889 40.800 -0.024 0.000 0.925 74 D HN -0.483 7.824 8.370 -0.007 0.059 0.524 75 G N -0.988 107.814 108.800 0.003 0.000 2.151 75 G HA2 -0.391 3.576 3.960 0.011 0.000 0.156 75 G HA3 -0.391 3.573 3.960 0.007 0.000 0.156 75 G C -0.823 174.083 174.900 0.010 0.000 1.017 75 G CA -0.403 44.702 45.100 0.008 0.000 0.686 75 G HN -0.722 7.417 8.290 0.002 0.152 0.503 76 K N 0.341 120.747 120.400 0.009 0.000 2.235 76 K HA 0.332 4.667 4.320 0.025 0.000 0.266 76 K C -1.049 175.568 176.600 0.028 0.000 0.980 76 K CA -1.168 55.130 56.287 0.019 0.000 0.849 76 K CB 2.648 35.155 32.500 0.013 0.000 1.098 76 K HN 0.308 8.572 8.250 0.003 -0.012 0.445 77 K N 4.377 124.800 120.400 0.039 0.000 2.182 77 K HA 0.618 5.093 4.320 0.038 -0.132 0.262 77 K C -0.754 175.884 176.600 0.064 0.000 0.957 77 K CA -0.787 55.526 56.287 0.043 0.000 0.842 77 K CB 1.576 34.098 32.500 0.037 0.000 1.099 77 K HN 0.359 8.633 8.250 0.040 0.000 0.438 78 L N -1.164 120.102 121.223 0.071 0.000 2.724 78 L HA 0.472 4.864 4.340 0.086 0.000 0.258 78 L C -2.337 174.586 176.870 0.088 0.000 0.967 78 L CA 0.097 54.997 54.840 0.101 0.000 0.891 78 L CB 3.245 45.412 42.059 0.181 0.000 1.456 78 L HN 0.524 8.789 8.230 0.058 0.000 0.416 79 K N 0.105 120.552 120.400 0.079 0.000 2.098 79 K HA 0.663 5.159 4.320 0.049 -0.147 0.258 79 K C -0.661 175.975 176.600 0.059 0.000 0.973 79 K CA -0.314 56.006 56.287 0.055 0.000 0.898 79 K CB 1.485 34.008 32.500 0.038 0.000 1.057 79 K HN -0.010 8.285 8.250 0.075 0.000 0.447 80 C N -0.143 119.167 119.300 0.016 0.000 2.931 80 C HA 0.246 4.713 4.460 0.012 0.000 0.370 80 C C -1.311 173.626 174.990 -0.089 0.000 1.071 80 C CA -0.847 58.162 59.018 -0.014 0.000 1.266 80 C CB 3.613 31.351 27.740 -0.003 0.000 1.691 80 C HN 0.362 8.595 8.230 0.004 0.000 0.511 81 T N 8.704 123.222 114.554 -0.061 0.000 2.811 81 T HA 0.081 4.408 4.350 -0.040 0.000 0.309 81 T C -1.144 173.480 174.700 -0.126 0.000 1.005 81 T CA -0.108 61.962 62.100 -0.050 0.000 0.955 81 T CB 0.285 69.166 68.868 0.022 0.000 0.970 81 T HN 0.471 8.694 8.240 -0.028 0.000 0.496 82 V N 7.133 126.857 119.914 -0.317 0.000 2.715 82 V HA -0.144 3.604 4.120 -0.619 0.000 0.299 82 V C -0.778 175.166 176.094 -0.250 0.000 1.054 82 V CA 0.186 62.177 62.300 -0.515 0.000 1.077 82 V CB 0.428 31.652 31.823 -0.997 0.000 0.972 82 V HN 0.463 8.453 8.190 -0.334 0.000 0.484 83 H N 3.535 122.496 119.070 -0.183 0.000 2.980 83 H HA 0.320 4.833 4.556 -0.072 0.000 0.367 83 H C -2.601 172.645 175.328 -0.136 0.000 1.206 83 H CA -1.899 54.082 56.048 -0.111 0.000 1.126 83 H CB 2.787 32.510 29.762 -0.064 0.000 1.838 83 H HN -0.065 7.589 8.280 -1.042 0.000 0.552 84 L N 1.502 122.788 121.223 0.105 0.000 2.289 84 L HA 0.298 4.756 4.340 -0.052 -0.149 0.285 84 L C -0.456 176.494 176.870 0.133 0.000 1.049 84 L CA -0.635 54.236 54.840 0.052 0.000 0.804 84 L CB 1.174 43.268 42.059 0.058 0.000 1.195 84 L HN 0.308 8.619 8.230 0.136 0.000 0.428 85 A N 4.022 126.913 122.820 0.119 0.000 2.414 85 A HA 0.273 4.638 4.320 0.075 0.000 0.286 85 A C -1.138 176.494 177.584 0.080 0.000 1.073 85 A CA -0.130 51.966 52.037 0.098 0.000 0.727 85 A CB 1.875 20.949 19.000 0.123 0.000 1.215 85 A HN 0.617 8.708 8.150 0.080 0.108 0.430 86 N N 2.171 120.912 118.700 0.069 0.000 2.741 86 N HA -0.321 4.455 4.740 0.061 0.000 0.250 86 N C -0.176 175.391 175.510 0.095 0.000 1.115 86 N CA 0.484 53.576 53.050 0.070 0.000 0.724 86 N CB -0.535 37.988 38.487 0.059 0.000 1.090 86 N HN 0.548 8.965 8.380 0.061 0.000 0.558 87 G N -5.038 103.830 108.800 0.112 0.000 2.248 87 G HA2 -0.317 3.751 3.960 0.179 0.000 0.263 87 G HA3 -0.317 3.747 3.960 0.173 0.000 0.263 87 G C -1.829 173.207 174.900 0.226 0.000 1.082 87 G CA -0.121 45.082 45.100 0.172 0.000 0.863 87 G HN -0.042 8.279 8.290 0.098 0.028 0.495 88 K N -2.301 118.174 120.400 0.126 0.000 2.550 88 K HA 0.106 4.590 4.320 0.274 0.000 0.252 88 K C -1.804 174.744 176.600 -0.087 0.000 0.943 88 K CA -1.266 55.084 56.287 0.106 0.000 0.806 88 K CB 3.050 35.623 32.500 0.122 0.000 1.289 88 K HN -0.699 7.601 8.250 0.083 0.000 0.435 89 L N 6.044 127.095 121.223 -0.286 0.000 2.360 89 L HA 0.288 4.550 4.340 -0.404 -0.164 0.276 89 L C -2.043 174.680 176.870 -0.245 0.000 1.121 89 L CA 0.012 54.626 54.840 -0.376 0.000 0.845 89 L CB 1.383 43.122 42.059 -0.534 0.000 1.143 89 L HN 0.277 8.280 8.230 -0.379 0.000 0.452 90 V N 7.196 126.862 119.914 -0.414 0.000 2.623 90 V HA 0.588 4.848 4.120 -0.095 -0.197 0.304 90 V C -1.258 174.430 176.094 -0.676 0.000 1.054 90 V CA -1.211 60.891 62.300 -0.330 0.000 0.882 90 V CB 3.643 35.454 31.823 -0.021 0.000 1.002 90 V HN 0.595 8.414 8.190 -0.618 0.000 0.424 91 T N 9.780 124.176 114.554 -0.263 0.000 3.053 91 T HA 0.346 4.486 4.350 -0.350 0.000 0.363 91 T C -1.043 173.701 174.700 0.074 0.000 1.239 91 T CA -0.841 61.132 62.100 -0.211 0.000 1.071 91 T CB -0.077 68.618 68.868 -0.288 0.000 1.089 91 T HN 0.435 8.536 8.240 -0.035 0.118 0.527 92 K N 5.659 126.128 120.400 0.115 0.000 2.090 92 K HA 0.255 4.657 4.320 0.137 0.000 0.250 92 K C -0.958 175.629 176.600 -0.022 0.000 1.004 92 K CA -0.861 55.484 56.287 0.098 0.000 0.919 92 K CB 1.783 34.341 32.500 0.097 0.000 1.045 92 K HN 0.035 8.394 8.250 0.182 0.000 0.471 93 S N -0.091 115.480 115.700 -0.216 0.000 3.003 93 S HA 0.139 4.451 4.470 -0.264 0.000 0.313 93 S C -1.409 172.933 174.600 -0.431 0.000 1.230 93 S CA -1.077 56.861 58.200 -0.438 0.000 0.977 93 S CB 1.345 63.898 63.200 -1.079 0.000 1.340 93 S HN -0.209 7.984 8.310 -0.196 0.000 0.608 94 E N -0.560 119.353 120.200 -0.478 0.000 2.511 94 E HA 0.215 4.409 4.350 -0.261 0.000 0.214 94 E C -1.218 175.156 176.600 -0.377 0.000 1.062 94 E CA 0.432 56.635 56.400 -0.329 0.000 1.213 94 E CB 0.254 29.820 29.700 -0.223 0.000 1.214 94 E HN 0.383 8.413 8.360 -0.550 0.000 0.441 95 K N -4.127 115.939 120.400 -0.557 0.000 2.313 95 K HA -0.019 4.077 4.320 -0.374 0.000 0.159 95 K C -2.283 173.948 176.600 -0.614 0.000 1.815 95 K CA 0.240 56.237 56.287 -0.482 0.000 1.013 95 K CB 0.469 32.781 32.500 -0.314 0.000 1.728 95 K HN -0.189 7.549 8.250 -0.722 0.078 0.502 96 F N -5.575 114.152 119.950 -0.370 0.000 2.767 96 F HA 0.403 4.587 4.527 -0.572 0.000 0.317 96 F C -3.191 172.568 175.800 -0.069 0.000 1.119 96 F CA -1.593 56.181 58.000 -0.375 0.000 0.971 96 F CB 0.612 39.456 39.000 -0.260 0.000 1.251 96 F HN -0.835 6.984 8.300 -0.802 0.000 0.450 97 S N -0.913 115.045 115.700 0.431 0.000 2.638 97 S HA 0.337 5.137 4.470 0.356 -0.116 0.302 97 S C -1.841 172.979 174.600 0.368 0.000 1.096 97 S CA -1.540 56.871 58.200 0.350 0.000 0.953 97 S CB 2.612 65.907 63.200 0.159 0.000 1.107 97 S HN 0.013 8.523 8.310 0.334 0.000 0.503 98 H N 1.759 120.917 119.070 0.147 0.000 2.894 98 H HA 0.243 4.839 4.556 0.068 0.000 0.367 98 H C -2.298 173.015 175.328 -0.024 0.000 1.144 98 H CA -0.222 55.854 56.048 0.047 0.000 1.180 98 H CB 3.160 32.916 29.762 -0.010 0.000 1.758 98 H HN -0.344 8.096 8.280 0.267 0.000 0.541 99 E N 5.046 125.118 120.200 -0.213 0.000 2.311 99 E HA 0.615 5.211 4.350 0.055 -0.212 0.281 99 E C -2.602 173.938 176.600 -0.100 0.000 0.905 99 E CA -0.834 55.540 56.400 -0.043 0.000 0.778 99 E CB 4.404 34.083 29.700 -0.035 0.000 1.240 99 E HN 0.361 8.322 8.360 -0.665 0.000 0.410 100 Q N 4.439 124.261 119.800 0.037 0.000 2.433 100 Q HA 0.567 5.012 4.340 -0.012 -0.112 0.279 100 Q C -2.139 173.993 176.000 0.220 0.000 1.105 100 Q CA -1.488 54.364 55.803 0.082 0.000 0.815 100 Q CB 4.624 33.468 28.738 0.177 0.000 1.403 100 Q HN 0.574 8.879 8.270 0.059 0.000 0.435 101 E N 0.399 120.704 120.200 0.176 0.000 2.375 101 E HA 0.311 4.988 4.350 0.546 0.000 0.280 101 E C -2.781 173.668 176.600 -0.251 0.000 0.972 101 E CA -0.189 56.307 56.400 0.159 0.000 0.782 101 E CB 4.662 34.407 29.700 0.077 0.000 1.229 101 E HN 0.594 8.974 8.360 0.034 0.000 0.439 102 V N 2.123 121.665 119.914 -0.620 0.000 2.555 102 V HA 0.404 4.257 4.120 -0.605 -0.096 0.302 102 V C -1.168 174.720 176.094 -0.343 0.000 1.038 102 V CA -2.125 59.785 62.300 -0.650 0.000 0.887 102 V CB 2.189 33.416 31.823 -0.992 0.000 0.991 102 V HN 0.564 8.280 8.190 -0.791 0.000 0.434 103 K N 8.082 128.360 120.400 -0.203 0.000 2.621 103 K HA 0.255 4.522 4.320 -0.087 0.000 0.233 103 K C -0.087 176.500 176.600 -0.022 0.000 0.972 103 K CA -1.022 55.212 56.287 -0.088 0.000 0.988 103 K CB 1.034 33.498 32.500 -0.059 0.000 1.187 103 K HN 0.709 8.830 8.250 -0.215 0.000 0.471 104 G N 6.895 115.694 108.800 -0.000 0.000 2.557 104 G HA2 -0.429 3.549 3.960 0.031 0.000 0.292 104 G HA3 -0.429 3.549 3.960 0.030 0.000 0.292 104 G C -0.439 174.524 174.900 0.104 0.000 1.162 104 G CA 1.365 46.487 45.100 0.038 0.000 0.964 104 G HN 0.677 8.954 8.290 -0.022 0.000 0.541 105 N N 6.900 125.664 118.700 0.107 0.000 2.230 105 N HA 0.084 4.937 4.740 0.189 0.000 0.202 105 N C -1.433 174.259 175.510 0.303 0.000 1.119 105 N CA 0.171 53.319 53.050 0.163 0.000 0.851 105 N CB 1.000 39.516 38.487 0.049 0.000 0.990 105 N HN 0.141 8.561 8.380 0.067 0.000 0.497 106 E N -0.725 119.615 120.200 0.233 0.000 2.263 106 E HA 0.549 5.174 4.350 0.314 -0.086 0.264 106 E C -2.084 174.494 176.600 -0.037 0.000 0.923 106 E CA -1.292 55.230 56.400 0.203 0.000 0.802 106 E CB 4.067 33.827 29.700 0.099 0.000 1.228 106 E HN -0.599 7.775 8.360 0.137 0.069 0.417 107 M N 0.265 119.783 119.600 -0.137 0.000 2.395 107 M HA 0.398 4.611 4.480 -0.609 -0.098 0.307 107 M C -2.154 174.024 176.300 -0.203 0.000 1.091 107 M CA -0.605 54.394 55.300 -0.501 0.000 0.919 107 M CB 4.605 36.564 32.600 -1.068 0.000 1.662 107 M HN 1.080 9.334 8.290 0.110 0.102 0.440 108 V N 4.392 124.186 119.914 -0.199 0.000 2.531 108 V HA 0.578 4.814 4.120 -0.095 -0.173 0.301 108 V C -1.762 174.262 176.094 -0.115 0.000 1.034 108 V CA -1.494 60.737 62.300 -0.116 0.000 0.865 108 V CB 2.340 34.113 31.823 -0.083 0.000 0.995 108 V HN 1.242 9.169 8.190 -0.255 0.110 0.424 109 E N 7.562 127.687 120.200 -0.125 0.000 2.171 109 E HA 0.519 4.884 4.350 -0.123 -0.088 0.271 109 E C -1.136 175.334 176.600 -0.216 0.000 0.916 109 E CA -1.193 55.113 56.400 -0.156 0.000 0.774 109 E CB 3.163 32.775 29.700 -0.145 0.000 1.128 109 E HN 1.167 9.335 8.360 -0.125 0.117 0.403 110 T N 2.222 116.633 114.554 -0.238 0.000 2.815 110 T HA 0.952 5.424 4.350 -0.228 -0.258 0.289 110 T C -0.743 173.784 174.700 -0.288 0.000 1.000 110 T CA -1.682 60.284 62.100 -0.223 0.000 0.958 110 T CB 1.566 70.363 68.868 -0.118 0.000 0.944 110 T HN 1.178 9.155 8.240 -0.225 0.127 0.442 111 I N 5.232 125.609 120.570 -0.323 0.000 2.545 111 I HA 0.316 4.418 4.170 -0.113 0.000 0.292 111 I C -1.788 174.464 176.117 0.225 0.000 1.040 111 I CA -1.063 60.138 61.300 -0.165 0.000 1.068 111 I CB 4.108 41.900 38.000 -0.347 0.000 1.251 111 I HN 0.361 8.335 8.210 -0.393 0.000 0.424 112 T N 2.891 117.669 114.554 0.374 0.000 2.797 112 T HA 0.875 5.741 4.350 0.494 -0.220 0.279 112 T C -1.255 173.691 174.700 0.410 0.000 0.991 112 T CA -1.861 60.489 62.100 0.417 0.000 0.979 112 T CB 2.062 71.038 68.868 0.181 0.000 0.943 112 T HN 0.087 8.490 8.240 0.271 0.000 0.444 113 F N 5.233 125.208 119.950 0.041 0.000 2.605 113 F HA 0.269 4.773 4.527 -0.038 0.000 0.320 113 F C -0.494 175.161 175.800 -0.243 0.000 1.159 113 F CA 0.054 57.924 58.000 -0.218 0.000 0.999 113 F CB 3.676 42.252 39.000 -0.707 0.000 1.258 113 F HN 0.862 9.216 8.300 0.285 0.117 0.464 114 G N 6.957 115.748 108.800 -0.015 0.000 2.246 114 G HA2 -0.396 3.552 3.960 -0.020 0.000 0.273 114 G HA3 -0.396 3.644 3.960 0.132 0.000 0.273 114 G C 0.105 175.013 174.900 0.012 0.000 1.055 114 G CA 0.197 45.322 45.100 0.042 0.000 0.851 114 G HN 0.535 8.615 8.290 -0.350 0.000 0.500 115 G N -2.600 106.198 108.800 -0.003 0.000 2.166 115 G HA2 -0.314 3.652 3.960 0.011 0.000 0.260 115 G HA3 -0.314 3.650 3.960 0.007 0.000 0.260 115 G C -0.962 173.967 174.900 0.049 0.000 0.986 115 G CA -0.014 45.095 45.100 0.015 0.000 0.683 115 G HN 0.084 8.343 8.290 -0.034 0.011 0.527 116 V N 1.506 121.466 119.914 0.077 0.000 2.513 116 V HA 0.277 4.462 4.120 0.109 0.000 0.299 116 V C -1.159 175.113 176.094 0.295 0.000 1.035 116 V CA -1.154 61.227 62.300 0.135 0.000 0.889 116 V CB 2.350 34.221 31.823 0.081 0.000 0.988 116 V HN -0.546 7.481 8.190 0.064 0.200 0.440 117 T N 8.149 122.858 114.554 0.258 0.000 2.823 117 T HA 0.651 5.389 4.350 0.329 -0.191 0.279 117 T C -1.452 173.331 174.700 0.138 0.000 0.998 117 T CA -0.483 61.759 62.100 0.237 0.000 0.994 117 T CB 1.691 70.619 68.868 0.101 0.000 0.960 117 T HN 0.110 8.454 8.240 0.173 0.000 0.448 118 L N 6.612 127.759 121.223 -0.128 0.000 2.346 118 L HA 0.417 4.671 4.340 -0.143 0.000 0.274 118 L C -2.564 174.132 176.870 -0.290 0.000 1.007 118 L CA -1.645 52.983 54.840 -0.353 0.000 0.818 118 L CB 4.285 45.668 42.059 -1.128 0.000 1.284 118 L HN 0.913 8.915 8.230 -0.199 0.109 0.424 119 I N 4.584 125.043 120.570 -0.185 0.000 2.537 119 I HA 0.458 4.738 4.170 -0.175 -0.215 0.276 119 I C -1.611 174.416 176.117 -0.150 0.000 1.063 119 I CA -1.184 60.023 61.300 -0.154 0.000 1.144 119 I CB 0.839 38.779 38.000 -0.099 0.000 1.252 119 I HN -0.165 7.963 8.210 -0.137 0.000 0.480 120 R N 6.973 127.373 120.500 -0.166 0.000 2.308 120 R HA 0.314 4.678 4.340 -0.155 -0.117 0.305 120 R C -1.458 174.751 176.300 -0.152 0.000 1.053 120 R CA -0.755 55.256 56.100 -0.148 0.000 0.957 120 R CB 2.164 32.398 30.300 -0.111 0.000 1.022 120 R HN 0.318 8.470 8.270 -0.197 0.000 0.461 121 R N 6.422 126.782 120.500 -0.233 0.000 2.295 121 R HA 0.753 5.242 4.340 -0.059 -0.184 0.324 121 R C -1.266 175.030 176.300 -0.006 0.000 0.968 121 R CA -0.807 55.186 56.100 -0.179 0.000 0.837 121 R CB 2.335 32.410 30.300 -0.376 0.000 1.133 121 R HN 0.792 8.869 8.270 -0.322 0.000 0.450 122 S N 4.072 119.938 115.700 0.276 0.000 2.568 122 S HA 0.741 5.757 4.470 0.600 -0.186 0.302 122 S C -1.747 173.175 174.600 0.536 0.000 1.082 122 S CA -0.970 57.511 58.200 0.467 0.000 1.009 122 S CB 3.390 66.767 63.200 0.295 0.000 1.069 122 S HN 1.022 9.289 8.310 0.141 0.128 0.500 123 K N 1.131 121.785 120.400 0.422 0.000 2.281 123 K HA 0.506 5.032 4.320 0.343 0.000 0.242 123 K C -1.269 175.477 176.600 0.244 0.000 0.971 123 K CA -1.974 54.464 56.287 0.252 0.000 0.834 123 K CB 3.999 36.392 32.500 -0.179 0.000 1.181 123 K HN 0.161 8.648 8.250 0.396 0.000 0.435 124 R N 4.187 124.687 120.500 -0.000 0.000 2.390 124 R HA 0.659 4.758 4.340 -0.870 -0.280 0.291 124 R C -0.906 175.225 176.300 -0.281 0.000 1.070 124 R CA -0.002 55.786 56.100 -0.521 0.000 1.014 124 R CB 0.777 30.663 30.300 -0.690 0.000 1.007 124 R HN -0.149 8.190 8.270 0.116 0.000 0.466 125 V N 0.000 119.745 119.914 -0.281 0.000 2.409 125 V HA 0.000 4.036 4.120 -0.140 0.000 0.244 125 V CA 0.000 62.199 62.300 -0.168 0.000 1.235 125 V CB 0.000 31.756 31.823 -0.111 0.000 1.184 125 V HN 0.000 7.966 8.190 -0.374 0.000 0.556