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 1vwl_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.400 4.320 0.133 0.000 0.244 13 A C 0.000 177.521 177.584 -0.105 0.000 1.274 13 A CA 0.000 52.074 52.037 0.061 0.000 0.836 13 A CB 0.000 19.038 19.000 0.063 0.000 0.831 14 E N 2.695 122.867 120.200 -0.047 0.000 2.051 14 E HA -0.395 3.660 4.350 -0.491 0.000 0.192 14 E C 1.612 178.079 176.600 -0.223 0.000 0.991 14 E CA 2.948 59.227 56.400 -0.201 0.000 0.799 14 E CB -0.722 28.973 29.700 -0.009 0.000 0.748 14 E HN 0.627 9.029 8.360 0.069 0.000 0.449 15 A N 0.200 122.946 122.820 -0.123 0.000 1.859 15 A HA -0.299 3.955 4.320 -0.109 0.000 0.217 15 A C 2.576 180.077 177.584 -0.137 0.000 1.198 15 A CA 3.119 55.091 52.037 -0.107 0.000 0.629 15 A CB -1.131 17.837 19.000 -0.054 0.000 0.830 15 A HN 0.160 8.268 8.150 -0.071 0.000 0.446 16 G N -2.861 105.864 108.800 -0.125 0.000 2.503 16 G HA2 -0.267 3.714 3.960 0.034 0.000 0.221 16 G HA3 -0.267 3.686 3.960 -0.013 0.000 0.221 16 G C 1.469 176.221 174.900 -0.247 0.000 1.131 16 G CA 1.829 46.877 45.100 -0.086 0.000 0.756 16 G HN 0.345 8.580 8.290 -0.092 0.000 0.572 17 I N 0.498 120.766 120.570 -0.504 0.000 2.480 17 I HA -0.204 3.851 4.170 -0.192 0.000 0.251 17 I C -0.039 175.980 176.117 -0.163 0.000 1.124 17 I CA 1.671 62.718 61.300 -0.422 0.000 1.444 17 I CB 0.269 37.822 38.000 -0.745 0.000 1.098 17 I HN -0.910 6.872 8.210 -0.523 0.114 0.428 18 T N 1.793 116.207 114.554 -0.233 0.000 2.946 18 T HA -0.345 4.046 4.350 -0.231 -0.179 0.311 18 T C 0.040 174.637 174.700 -0.172 0.000 1.063 18 T CA 3.475 65.457 62.100 -0.197 0.000 1.139 18 T CB 0.165 68.927 68.868 -0.178 0.000 0.994 18 T HN -0.354 7.644 8.240 -0.277 0.075 0.547 19 G N 4.823 113.502 108.800 -0.202 0.000 2.293 19 G HA2 -0.189 3.702 3.960 -0.235 0.000 0.282 19 G HA3 -0.189 3.666 3.960 -0.361 -0.113 0.282 19 G C -2.838 171.871 174.900 -0.318 0.000 1.299 19 G CA 0.000 44.933 45.100 -0.278 0.000 1.018 19 G HN 0.216 8.380 8.290 -0.210 0.000 0.478 20 T N 2.598 116.894 114.554 -0.430 0.000 2.823 20 T HA 0.939 5.274 4.350 -0.329 -0.183 0.279 20 T C -1.002 173.311 174.700 -0.647 0.000 0.998 20 T CA 0.433 62.277 62.100 -0.425 0.000 0.994 20 T CB 2.183 70.853 68.868 -0.330 0.000 0.960 20 T HN 0.253 8.100 8.240 -0.457 0.119 0.448 21 W N 3.704 124.634 121.300 -0.617 0.000 2.962 21 W HA 0.689 5.338 4.660 -0.317 -0.179 0.341 21 W C -1.757 174.399 176.519 -0.606 0.000 1.155 21 W CA -1.202 55.882 57.345 -0.435 0.000 1.165 21 W CB 4.120 33.451 29.460 -0.215 0.000 1.435 21 W HN 0.958 8.954 8.180 -0.308 0.000 0.546 22 Y N -3.359 117.220 120.300 0.466 0.000 2.581 22 Y HA 0.917 5.865 4.550 0.309 -0.213 0.345 22 Y C -1.054 175.017 175.900 0.286 0.000 1.036 22 Y CA -1.839 56.448 58.100 0.311 0.000 1.042 22 Y CB 4.056 42.604 38.460 0.146 0.000 1.289 22 Y HN 0.578 9.091 8.280 0.387 0.000 0.471 23 N N -0.323 118.529 118.700 0.252 0.000 2.815 23 N HA 0.702 5.554 4.740 -0.103 -0.174 0.315 23 N C 1.937 177.464 175.510 0.029 0.000 1.320 23 N CA -2.721 50.261 53.050 -0.113 0.000 0.846 23 N CB 1.945 40.054 38.487 -0.630 0.000 1.344 23 N HN -0.167 8.401 8.380 0.314 0.000 0.593 24 Q N -1.330 118.468 119.800 -0.003 0.000 2.508 24 Q HA -0.134 4.240 4.340 0.057 0.000 0.214 24 Q C 0.229 176.259 176.000 0.049 0.000 0.979 24 Q CA 2.176 58.005 55.803 0.044 0.000 0.911 24 Q CB -0.933 27.838 28.738 0.055 0.000 0.969 24 Q HN 0.275 8.508 8.270 -0.063 0.000 0.504 25 L N -2.816 118.440 121.223 0.055 0.000 2.554 25 L HA 0.194 4.564 4.340 0.049 0.000 0.225 25 L C 0.668 177.576 176.870 0.063 0.000 1.104 25 L CA -0.047 54.830 54.840 0.061 0.000 0.866 25 L CB 0.683 42.788 42.059 0.076 0.000 1.047 25 L HN -0.138 8.364 8.230 0.046 -0.244 0.468 26 G N -2.468 106.379 108.800 0.079 0.000 2.148 26 G HA2 -0.319 3.663 3.960 0.037 0.000 0.203 26 G HA3 -0.319 3.658 3.960 0.029 0.000 0.203 26 G C -0.029 174.949 174.900 0.130 0.000 0.993 26 G CA -0.366 44.773 45.100 0.064 0.000 0.661 26 G HN -0.452 7.877 8.290 0.092 0.016 0.518 27 S N 2.347 118.155 115.700 0.180 0.000 2.601 27 S HA 0.152 4.763 4.470 0.156 -0.047 0.271 27 S C -0.976 173.758 174.600 0.224 0.000 1.305 27 S CA 1.007 59.311 58.200 0.173 0.000 1.022 27 S CB 1.424 64.755 63.200 0.218 0.000 0.940 27 S HN -0.355 8.330 8.310 0.170 -0.274 0.525 28 T N 4.219 118.822 114.554 0.081 0.000 2.824 28 T HA 0.520 5.095 4.350 0.123 -0.152 0.280 28 T C -1.670 172.884 174.700 -0.242 0.000 0.995 28 T CA 0.317 62.450 62.100 0.055 0.000 1.009 28 T CB 1.635 70.604 68.868 0.168 0.000 0.955 28 T HN 0.103 8.346 8.240 0.004 0.000 0.452 29 F N 8.510 128.220 119.950 -0.400 0.000 2.507 29 F HA 0.650 5.003 4.527 -0.517 -0.135 0.328 29 F C -3.078 172.548 175.800 -0.290 0.000 1.136 29 F CA -3.154 54.565 58.000 -0.468 0.000 0.930 29 F CB 3.343 41.985 39.000 -0.596 0.000 1.166 29 F HN 0.624 8.836 8.300 -0.147 0.000 0.436 30 I N 8.249 128.733 120.570 -0.144 0.000 2.410 30 I HA 0.584 4.764 4.170 -0.299 -0.189 0.286 30 I C -2.413 173.526 176.117 -0.297 0.000 1.009 30 I CA -1.146 60.011 61.300 -0.238 0.000 1.111 30 I CB 2.394 40.321 38.000 -0.120 0.000 1.262 30 I HN 0.811 9.045 8.210 0.040 0.000 0.443 31 V N 8.366 128.010 119.914 -0.450 0.000 3.040 31 V HA 0.824 4.949 4.120 -0.265 -0.165 0.312 31 V C -2.266 173.658 176.094 -0.282 0.000 1.115 31 V CA -3.003 59.050 62.300 -0.412 0.000 0.998 31 V CB 4.952 36.295 31.823 -0.799 0.000 1.042 31 V HN 0.845 8.772 8.190 -0.438 0.000 0.433 32 T N 7.965 122.393 114.554 -0.211 0.000 2.879 32 T HA 0.271 4.513 4.350 -0.180 0.000 0.290 32 T C -2.326 172.279 174.700 -0.158 0.000 0.993 32 T CA -0.925 61.077 62.100 -0.163 0.000 0.975 32 T CB 2.250 71.057 68.868 -0.101 0.000 0.981 32 T HN 0.404 8.535 8.240 -0.182 0.000 0.439 33 A N 6.689 129.393 122.820 -0.194 0.000 2.276 33 A HA 0.835 5.278 4.320 -0.107 -0.187 0.316 33 A C -0.860 176.720 177.584 -0.006 0.000 1.229 33 A CA -2.065 49.856 52.037 -0.192 0.000 0.851 33 A CB 1.739 20.375 19.000 -0.606 0.000 1.165 33 A HN 0.293 8.320 8.150 -0.205 0.000 0.513 34 G N 0.731 109.607 108.800 0.127 0.000 2.462 34 G HA2 0.283 4.272 3.960 0.049 0.000 0.319 34 G HA3 0.283 4.289 3.960 0.076 0.000 0.319 34 G C -0.102 174.890 174.900 0.153 0.000 1.171 34 G CA -1.496 43.663 45.100 0.098 0.000 0.920 34 G HN 0.516 8.815 8.290 0.200 0.111 0.499 35 A N 0.230 123.101 122.820 0.084 0.000 2.076 35 A HA -0.215 4.165 4.320 0.100 0.000 0.220 35 A C 0.303 177.898 177.584 0.018 0.000 1.160 35 A CA 2.349 54.425 52.037 0.065 0.000 0.653 35 A CB -0.300 18.719 19.000 0.032 0.000 0.801 35 A HN 0.489 8.671 8.150 0.053 0.000 0.455 36 D N -6.940 113.465 120.400 0.008 0.000 2.336 36 D HA -0.172 4.441 4.640 -0.045 0.000 0.229 36 D C 0.304 176.541 176.300 -0.105 0.000 1.061 36 D CA -0.882 53.097 54.000 -0.036 0.000 0.875 36 D CB -0.519 40.273 40.800 -0.014 0.000 0.904 36 D HN -0.347 8.002 8.370 0.031 0.039 0.525 37 G N -2.018 106.670 108.800 -0.188 0.000 2.175 37 G HA2 -0.447 2.699 3.960 -1.357 0.000 0.244 37 G HA3 -0.447 3.272 3.960 -0.401 0.000 0.244 37 G C -1.422 173.422 174.900 -0.093 0.000 0.982 37 G CA 0.005 44.807 45.100 -0.497 0.000 0.641 37 G HN -0.276 7.901 8.290 -0.076 0.068 0.527 38 A N -0.082 122.795 122.820 0.096 0.000 2.302 38 A HA 0.477 4.984 4.320 0.114 -0.119 0.285 38 A C -1.979 175.732 177.584 0.211 0.000 1.105 38 A CA -1.145 50.975 52.037 0.139 0.000 0.816 38 A CB 2.315 21.360 19.000 0.075 0.000 1.067 38 A HN -0.496 7.864 8.150 0.078 -0.163 0.489 39 L N 1.733 123.044 121.223 0.146 0.000 2.381 39 L HA 0.951 5.499 4.340 0.019 -0.197 0.274 39 L C -0.901 175.993 176.870 0.039 0.000 0.988 39 L CA -0.648 54.236 54.840 0.073 0.000 0.824 39 L CB 4.366 46.492 42.059 0.112 0.000 1.263 39 L HN -0.134 8.173 8.230 0.129 0.000 0.410 40 T N 5.914 120.463 114.554 -0.007 0.000 2.883 40 T HA 0.847 5.383 4.350 0.019 -0.175 0.301 40 T C -1.221 173.458 174.700 -0.035 0.000 1.158 40 T CA -1.361 60.738 62.100 -0.002 0.000 1.007 40 T CB 3.606 72.474 68.868 -0.000 0.000 1.186 40 T HN 0.127 8.341 8.240 -0.043 0.000 0.499 41 G N 0.791 109.583 108.800 -0.013 0.000 2.336 41 G HA2 0.304 4.242 3.960 -0.037 0.000 0.286 41 G HA3 0.304 4.420 3.960 -0.043 -0.182 0.286 41 G C -2.967 171.951 174.900 0.029 0.000 1.269 41 G CA 1.040 46.128 45.100 -0.020 0.000 0.873 41 G HN -0.387 7.907 8.290 0.008 0.000 0.494 42 T N -2.098 112.486 114.554 0.050 0.000 2.900 42 T HA 0.960 5.572 4.350 0.121 -0.190 0.295 42 T C -2.347 172.452 174.700 0.166 0.000 1.044 42 T CA -2.125 60.037 62.100 0.103 0.000 0.995 42 T CB 3.514 72.422 68.868 0.067 0.000 1.072 42 T HN 0.213 8.467 8.240 0.024 0.000 0.473 43 Y N 2.748 123.111 120.300 0.104 0.000 2.429 43 Y HA 0.698 5.473 4.550 0.122 -0.151 0.342 43 Y C -2.356 173.714 175.900 0.284 0.000 1.004 43 Y CA -1.907 56.275 58.100 0.137 0.000 1.075 43 Y CB 4.265 42.746 38.460 0.035 0.000 1.214 43 Y HN 0.654 9.126 8.280 0.320 0.000 0.455 44 E N 4.598 124.865 120.200 0.111 0.000 2.317 44 E HA 0.844 5.697 4.350 0.423 -0.249 0.270 44 E C -0.728 176.053 176.600 0.302 0.000 0.885 44 E CA -2.539 54.022 56.400 0.268 0.000 0.760 44 E CB 4.760 34.541 29.700 0.136 0.000 1.227 44 E HN 0.788 8.839 8.360 -0.360 0.093 0.434 45 S N 1.533 117.457 115.700 0.373 0.000 2.608 45 S HA -0.100 4.578 4.470 0.347 0.000 0.261 45 S C -0.258 174.445 174.600 0.171 0.000 1.314 45 S CA -0.296 58.077 58.200 0.289 0.000 0.992 45 S CB 1.032 64.375 63.200 0.239 0.000 0.935 45 S HN -0.188 8.359 8.310 0.394 0.000 0.564 46 A N 3.372 126.272 122.820 0.133 0.000 2.496 46 A HA -0.205 4.326 4.320 0.095 -0.154 0.278 46 A C -0.244 177.374 177.584 0.057 0.000 1.137 46 A CA 0.494 52.584 52.037 0.087 0.000 0.805 46 A CB -0.765 18.276 19.000 0.068 0.000 1.077 46 A HN 0.327 8.557 8.150 0.133 0.000 0.513 47 V N 2.075 122.015 119.914 0.044 0.000 0.732 47 V HA -0.396 3.731 4.120 0.013 0.000 0.098 47 V C 0.579 176.692 176.094 0.032 0.000 0.768 47 V CA 1.163 63.476 62.300 0.021 0.000 3.093 47 V CB -0.703 31.122 31.823 0.004 0.000 0.237 47 V HN -0.000 8.219 8.190 0.049 0.000 0.066 48 G N -1.229 107.581 108.800 0.016 0.000 2.207 48 G HA2 -0.289 3.675 3.960 0.006 0.000 0.216 48 G HA3 -0.289 3.690 3.960 0.031 0.000 0.216 48 G C -0.910 173.989 174.900 -0.002 0.000 1.053 48 G CA -0.311 44.798 45.100 0.015 0.000 0.764 48 G HN 0.419 8.712 8.290 0.006 0.000 0.495 49 N N -2.018 116.673 118.700 -0.014 0.000 6.260 49 N HA -0.349 4.373 4.740 -0.031 0.000 0.382 49 N C 0.298 175.783 175.510 -0.042 0.000 0.928 49 N CA 1.101 54.129 53.050 -0.036 0.000 1.195 49 N CB 0.003 38.453 38.487 -0.061 0.000 0.819 49 N HN -0.130 8.244 8.380 -0.009 0.000 0.400 50 A N -0.532 122.244 122.820 -0.074 0.000 1.911 50 A HA -0.056 4.237 4.320 -0.044 0.000 0.212 50 A C 0.775 178.275 177.584 -0.139 0.000 1.189 50 A CA 1.553 53.541 52.037 -0.082 0.000 0.639 50 A CB 0.298 19.250 19.000 -0.080 0.000 0.839 50 A HN 0.202 8.300 8.150 -0.086 0.000 0.449 51 E N -2.945 117.091 120.200 -0.272 0.000 2.651 51 E HA -0.132 4.004 4.350 -0.356 0.000 0.236 51 E C -0.975 175.467 176.600 -0.262 0.000 1.422 51 E CA 0.376 56.496 56.400 -0.466 0.000 1.534 51 E CB -2.142 26.799 29.700 -1.265 0.000 1.381 51 E HN 0.386 8.581 8.360 -0.275 0.000 0.435 52 S N -0.898 114.726 115.700 -0.127 0.000 2.741 52 S HA 0.190 4.643 4.470 -0.029 0.000 0.247 52 S C -1.278 173.319 174.600 -0.005 0.000 1.050 52 S CA -0.406 57.791 58.200 -0.006 0.000 1.025 52 S CB 1.084 64.350 63.200 0.111 0.000 0.897 52 S HN -0.073 8.061 8.310 -0.097 0.117 0.508 53 R N 1.072 121.469 120.500 -0.171 0.000 2.346 53 R HA 0.538 5.160 4.340 0.138 -0.198 0.311 53 R C -1.184 174.944 176.300 -0.286 0.000 0.983 53 R CA -0.625 55.438 56.100 -0.063 0.000 0.880 53 R CB 2.171 32.464 30.300 -0.012 0.000 1.100 53 R HN -0.664 7.404 8.270 -0.196 0.084 0.453 54 Y N 1.458 121.861 120.300 0.172 0.000 2.499 54 Y HA 0.191 4.799 4.550 0.096 0.000 0.347 54 Y C -0.848 175.077 175.900 0.042 0.000 0.987 54 Y CA -1.444 56.713 58.100 0.096 0.000 1.044 54 Y CB 3.042 41.527 38.460 0.041 0.000 1.245 54 Y HN 0.566 9.075 8.280 0.383 0.000 0.461 55 V N 1.721 121.726 119.914 0.151 0.000 2.775 55 V HA -0.014 4.280 4.120 0.080 -0.125 0.299 55 V C -0.561 175.566 176.094 0.055 0.000 1.062 55 V CA 1.449 63.798 62.300 0.082 0.000 1.063 55 V CB 0.401 32.255 31.823 0.053 0.000 0.994 55 V HN 0.759 9.042 8.190 0.155 0.000 0.483 56 L N 0.746 122.002 121.223 0.055 0.000 2.371 56 L HA 1.072 5.618 4.340 0.055 -0.174 0.262 56 L C -1.524 175.386 176.870 0.067 0.000 1.006 56 L CA -1.628 53.250 54.840 0.063 0.000 0.818 56 L CB 4.357 46.448 42.059 0.055 0.000 1.354 56 L HN 0.169 8.431 8.230 0.054 0.000 0.415 57 T N 0.670 115.287 114.554 0.104 0.000 2.956 57 T HA 0.709 5.305 4.350 0.080 -0.198 0.312 57 T C -1.369 173.430 174.700 0.165 0.000 1.151 57 T CA -1.437 60.723 62.100 0.099 0.000 1.024 57 T CB 2.324 71.230 68.868 0.064 0.000 1.140 57 T HN -0.201 8.122 8.240 0.139 0.000 0.473 58 G N 2.825 111.725 108.800 0.167 0.000 2.634 58 G HA2 0.693 4.769 3.960 0.193 0.000 0.309 58 G HA3 0.693 4.983 3.960 0.323 -0.136 0.309 58 G C -2.895 172.114 174.900 0.181 0.000 1.299 58 G CA 0.525 45.758 45.100 0.220 0.000 0.798 58 G HN 0.291 8.658 8.290 0.130 0.000 0.490 59 R N -3.578 117.045 120.500 0.206 0.000 2.707 59 R HA 1.127 5.780 4.340 0.181 -0.205 0.272 59 R C -1.793 174.654 176.300 0.244 0.000 1.011 59 R CA -2.067 54.137 56.100 0.173 0.000 0.893 59 R CB 4.804 35.149 30.300 0.076 0.000 1.233 59 R HN 0.332 8.745 8.270 0.239 0.000 0.464 60 Y N -2.544 117.788 120.300 0.053 0.000 2.644 60 Y HA 0.598 5.312 4.550 0.075 -0.119 0.338 60 Y C -2.080 173.843 175.900 0.039 0.000 1.119 60 Y CA -2.708 55.424 58.100 0.053 0.000 1.060 60 Y CB 2.468 40.944 38.460 0.027 0.000 1.294 60 Y HN 0.501 8.764 8.280 -0.029 0.000 0.472 61 D N -0.116 120.276 120.400 -0.012 0.000 2.336 61 D HA 0.152 4.697 4.640 -0.158 0.000 0.249 61 D C 0.056 176.252 176.300 -0.175 0.000 1.213 61 D CA -0.842 53.102 54.000 -0.093 0.000 0.870 61 D CB 0.459 41.285 40.800 0.043 0.000 1.076 61 D HN 0.099 8.587 8.370 0.197 0.000 0.483 62 S N 3.729 119.194 115.700 -0.391 0.000 2.603 62 S HA -0.158 4.273 4.470 -0.065 0.000 0.220 62 S C -0.418 174.170 174.600 -0.021 0.000 0.967 62 S CA 0.639 58.690 58.200 -0.249 0.000 0.920 62 S CB 0.018 63.013 63.200 -0.342 0.000 0.773 62 S HN 0.176 8.251 8.310 -0.392 0.000 0.529 63 A N 1.257 124.067 122.820 -0.016 0.000 3.317 63 A HA 0.492 4.835 4.320 0.039 0.000 0.307 63 A C -2.972 174.636 177.584 0.040 0.000 1.003 63 A CA -2.607 49.442 52.037 0.019 0.000 0.882 63 A CB 0.389 19.389 19.000 -0.001 0.000 1.136 63 A HN -0.366 7.806 8.150 -0.048 -0.052 0.488 64 P HA 0.067 4.738 4.420 0.076 -0.206 0.280 64 P C -0.787 176.552 177.300 0.065 0.000 1.278 64 P CA -0.615 62.536 63.100 0.085 0.000 0.787 64 P CB 1.202 32.980 31.700 0.130 0.000 1.163 65 A N -2.685 120.173 122.820 0.063 0.000 2.304 65 A HA 0.143 4.488 4.320 0.041 0.000 0.271 65 A C 1.202 178.816 177.584 0.050 0.000 1.091 65 A CA -1.095 50.971 52.037 0.048 0.000 0.812 65 A CB 1.423 20.448 19.000 0.043 0.000 1.056 65 A HN -0.142 8.050 8.150 0.071 0.000 0.489 66 T N 0.013 114.591 114.554 0.040 0.000 3.591 66 T HA 0.020 4.397 4.350 0.046 0.000 0.232 66 T C -1.588 173.133 174.700 0.034 0.000 1.116 66 T CA -0.635 61.488 62.100 0.039 0.000 1.063 66 T CB -1.379 67.508 68.868 0.032 0.000 1.227 66 T HN 0.190 8.480 8.240 0.035 -0.029 0.685 67 D N -0.451 119.971 120.400 0.037 0.000 2.752 67 D HA 0.030 4.686 4.640 0.027 0.000 0.313 67 D C -0.351 175.969 176.300 0.032 0.000 1.225 67 D CA -1.447 52.571 54.000 0.031 0.000 0.976 67 D CB 1.661 42.477 40.800 0.027 0.000 1.443 67 D HN 0.076 8.159 8.370 0.044 0.313 0.515 68 G N -1.831 106.984 108.800 0.026 0.000 3.401 68 G HA2 0.071 4.045 3.960 0.023 0.000 0.251 68 G HA3 0.071 4.041 3.960 0.017 0.000 0.251 68 G C -0.754 174.160 174.900 0.023 0.000 0.960 68 G CA -0.246 44.867 45.100 0.022 0.000 1.900 68 G HN -0.151 8.153 8.290 0.023 0.000 0.645 69 S N 1.220 116.940 115.700 0.034 0.000 2.608 69 S HA 0.120 4.610 4.470 0.033 0.000 0.291 69 S C -0.259 174.372 174.600 0.050 0.000 1.146 69 S CA -0.545 57.679 58.200 0.040 0.000 1.043 69 S CB 2.686 65.913 63.200 0.045 0.000 1.037 69 S HN -0.445 7.795 8.310 0.040 0.094 0.520 70 G N -0.230 108.603 108.800 0.054 0.000 2.562 70 G HA2 0.155 4.213 3.960 0.046 0.000 0.275 70 G HA3 0.155 4.154 3.960 0.065 0.000 0.275 70 G C -0.839 174.138 174.900 0.128 0.000 1.196 70 G CA -0.740 44.404 45.100 0.072 0.000 0.908 70 G HN 0.122 8.441 8.290 0.049 0.000 0.524 71 T N 3.767 118.442 114.554 0.203 0.000 2.749 71 T HA 0.121 4.586 4.350 0.192 0.000 0.287 71 T C -0.903 173.932 174.700 0.225 0.000 0.970 71 T CA 0.384 62.630 62.100 0.243 0.000 0.980 71 T CB 0.909 69.992 68.868 0.358 0.000 0.924 71 T HN 0.263 8.641 8.240 0.230 0.000 0.456 72 A N 8.076 131.002 122.820 0.176 0.000 2.371 72 A HA 0.664 5.266 4.320 0.161 -0.185 0.257 72 A C -1.424 176.279 177.584 0.199 0.000 1.089 72 A CA -0.812 51.321 52.037 0.161 0.000 0.794 72 A CB 1.268 20.336 19.000 0.112 0.000 1.029 72 A HN 0.731 8.972 8.150 0.152 0.000 0.488 73 L N -5.207 116.139 121.223 0.206 0.000 2.892 73 L HA 1.053 5.671 4.340 0.238 -0.136 0.269 73 L C -1.585 175.427 176.870 0.237 0.000 1.058 73 L CA -1.328 53.664 54.840 0.253 0.000 0.923 73 L CB 3.635 45.877 42.059 0.305 0.000 1.518 73 L HN 0.209 8.549 8.230 0.185 0.000 0.402 74 G N -3.920 105.053 108.800 0.288 0.000 2.632 74 G HA2 0.734 4.893 3.960 0.105 0.000 0.292 74 G HA3 0.734 4.753 3.960 0.098 0.000 0.292 74 G C -3.451 171.652 174.900 0.339 0.000 1.465 74 G CA 0.832 46.052 45.100 0.200 0.000 0.824 74 G HN -0.019 8.466 8.290 0.324 0.000 0.509 75 W N -3.439 117.911 121.300 0.084 0.000 3.005 75 W HA 0.702 5.478 4.660 0.036 -0.095 0.343 75 W C -3.137 173.439 176.519 0.095 0.000 1.243 75 W CA -1.553 55.817 57.345 0.041 0.000 1.186 75 W CB 2.220 31.645 29.460 -0.058 0.000 1.453 75 W HN 0.476 8.504 8.180 -0.252 0.000 0.575 76 T N 0.818 115.477 114.554 0.176 0.000 2.900 76 T HA 0.877 5.411 4.350 -0.021 -0.197 0.295 76 T C -1.504 173.227 174.700 0.052 0.000 1.044 76 T CA -0.457 61.672 62.100 0.049 0.000 0.995 76 T CB 3.082 71.944 68.868 -0.010 0.000 1.072 76 T HN 0.408 8.812 8.240 0.273 0.000 0.473 77 V N 3.734 123.568 119.914 -0.133 0.000 2.623 77 V HA 0.363 4.471 4.120 -0.263 -0.145 0.304 77 V C -2.355 173.337 176.094 -0.671 0.000 1.054 77 V CA -1.246 60.795 62.300 -0.431 0.000 0.882 77 V CB 3.948 35.262 31.823 -0.848 0.000 1.002 77 V HN 0.641 8.723 8.190 -0.180 0.000 0.424 78 A N 4.993 127.527 122.820 -0.476 0.000 2.271 78 A HA 0.598 4.865 4.320 -0.310 -0.134 0.317 78 A C 0.002 177.372 177.584 -0.357 0.000 1.245 78 A CA -1.831 50.019 52.037 -0.312 0.000 0.857 78 A CB 1.609 20.549 19.000 -0.101 0.000 1.175 78 A HN 0.700 8.654 8.150 -0.327 0.000 0.512 79 W N 5.732 126.946 121.300 -0.144 0.000 1.435 79 W HA -0.127 4.188 4.660 -0.576 0.000 0.471 79 W C -1.394 175.123 176.519 -0.003 0.000 0.590 79 W CA -1.118 56.059 57.345 -0.280 0.000 2.419 79 W CB -0.978 28.261 29.460 -0.369 0.000 1.251 79 W HN 0.626 8.734 8.180 -0.120 0.000 0.338 80 K N 1.025 121.612 120.400 0.310 0.000 2.482 80 K HA 0.755 5.450 4.320 0.270 -0.213 0.251 80 K C -1.789 174.987 176.600 0.293 0.000 0.936 80 K CA -1.166 55.279 56.287 0.263 0.000 0.791 80 K CB 3.197 35.761 32.500 0.105 0.000 1.213 80 K HN -0.129 8.180 8.250 0.243 0.087 0.428 81 N N 4.973 123.793 118.700 0.200 0.000 3.418 81 N HA 0.229 4.996 4.740 0.044 0.000 0.316 81 N C -0.722 174.763 175.510 -0.043 0.000 1.601 81 N CA -1.250 51.829 53.050 0.049 0.000 0.805 81 N CB 0.822 39.253 38.487 -0.094 0.000 1.873 81 N HN 0.790 9.287 8.380 0.196 0.000 0.615 82 N N -1.280 117.300 118.700 -0.200 0.000 2.550 82 N HA -0.010 4.572 4.740 -0.263 0.000 0.186 82 N C 0.100 175.249 175.510 -0.603 0.000 1.110 82 N CA 2.216 54.998 53.050 -0.446 0.000 0.912 82 N CB 0.206 38.272 38.487 -0.702 0.000 0.968 82 N HN 0.116 8.394 8.380 -0.170 0.000 0.448 83 Y N -2.723 117.571 120.300 -0.010 0.000 2.559 83 Y HA -0.023 4.532 4.550 0.008 0.000 0.279 83 Y C -0.189 175.731 175.900 0.033 0.000 1.117 83 Y CA 1.310 59.413 58.100 0.005 0.000 1.263 83 Y CB 1.217 39.670 38.460 -0.012 0.000 1.230 83 Y HN -0.337 8.199 8.280 -0.042 -0.282 0.528 84 R N -3.254 117.368 120.500 0.203 0.000 2.836 84 R HA 0.307 4.720 4.340 0.121 0.000 0.269 84 R C -2.381 174.010 176.300 0.151 0.000 1.010 84 R CA -2.003 54.200 56.100 0.172 0.000 0.930 84 R CB 3.131 33.568 30.300 0.228 0.000 1.218 84 R HN 0.080 8.868 8.270 0.208 -0.393 0.473 85 N N 0.066 118.794 118.700 0.046 0.000 2.558 85 N HA 0.333 5.241 4.740 0.006 -0.164 0.285 85 N C -1.302 174.048 175.510 -0.267 0.000 1.112 85 N CA 0.077 53.062 53.050 -0.108 0.000 0.857 85 N CB 1.386 39.740 38.487 -0.222 0.000 1.376 85 N HN 0.324 8.723 8.380 0.031 0.000 0.526 86 A N 2.150 124.885 122.820 -0.142 0.000 2.345 86 A HA 0.118 4.379 4.320 -0.099 0.000 0.225 86 A C 0.440 177.965 177.584 -0.099 0.000 1.243 86 A CA -0.277 51.691 52.037 -0.115 0.000 0.875 86 A CB 0.730 19.688 19.000 -0.070 0.000 0.929 86 A HN 0.922 9.074 8.150 0.002 0.000 0.502 87 H N -0.999 118.119 119.070 0.080 0.000 2.592 87 H HA -0.364 4.228 4.556 0.060 0.000 0.323 87 H C -1.970 173.390 175.328 0.053 0.000 1.117 87 H CA 1.045 57.126 56.048 0.056 0.000 1.120 87 H CB -2.967 26.813 29.762 0.029 0.000 1.561 87 H HN 0.189 8.429 8.280 -0.521 -0.272 0.409 88 S N -4.679 111.106 115.700 0.142 0.000 2.587 88 S HA 0.856 5.522 4.470 0.102 -0.134 0.269 88 S C -2.580 172.146 174.600 0.211 0.000 1.154 88 S CA -0.445 57.847 58.200 0.152 0.000 0.824 88 S CB 4.040 67.303 63.200 0.105 0.000 1.118 88 S HN -0.268 8.120 8.310 0.130 0.000 0.462 89 A N -1.440 121.460 122.820 0.135 0.000 2.549 89 A HA 0.816 5.192 4.320 -0.150 -0.146 0.297 89 A C -2.371 175.194 177.584 -0.031 0.000 1.061 89 A CA -0.349 51.678 52.037 -0.017 0.000 0.690 89 A CB 3.966 22.923 19.000 -0.070 0.000 1.287 89 A HN 0.807 9.013 8.150 0.093 0.000 0.402 90 T N 3.645 118.094 114.554 -0.175 0.000 2.876 90 T HA 1.056 5.475 4.350 -0.255 -0.223 0.289 90 T C -0.741 173.689 174.700 -0.449 0.000 1.014 90 T CA -1.345 60.543 62.100 -0.354 0.000 0.986 90 T CB 2.939 71.444 68.868 -0.605 0.000 1.021 90 T HN 0.907 8.945 8.240 -0.337 0.000 0.458 91 T N 1.084 115.366 114.554 -0.454 0.000 2.861 91 T HA 0.785 5.173 4.350 -0.251 -0.188 0.287 91 T C -1.810 172.625 174.700 -0.443 0.000 1.003 91 T CA -1.648 60.255 62.100 -0.330 0.000 0.977 91 T CB 2.480 71.243 68.868 -0.175 0.000 0.996 91 T HN 0.542 8.541 8.240 -0.402 0.000 0.448 92 W N 3.511 124.422 121.300 -0.648 0.000 2.587 92 W HA 0.433 5.080 4.660 -0.259 -0.143 0.324 92 W C -1.473 174.732 176.519 -0.523 0.000 1.040 92 W CA -1.466 55.483 57.345 -0.660 0.000 1.222 92 W CB 3.484 32.085 29.460 -1.432 0.000 1.381 92 W HN 0.952 8.888 8.180 -0.406 0.000 0.483 93 S N 2.126 117.788 115.700 -0.064 0.000 2.519 93 S HA 0.670 5.260 4.470 -0.008 -0.125 0.309 93 S C -1.029 173.613 174.600 0.069 0.000 1.100 93 S CA -1.541 56.655 58.200 -0.007 0.000 1.059 93 S CB 1.494 64.689 63.200 -0.008 0.000 1.008 93 S HN 0.585 8.892 8.310 -0.005 0.000 0.478 94 G N 4.549 113.418 108.800 0.115 0.000 2.578 94 G HA2 0.601 4.638 3.960 0.129 0.000 0.302 94 G HA3 0.601 4.835 3.960 0.202 -0.153 0.302 94 G C -3.308 171.693 174.900 0.169 0.000 1.243 94 G CA 0.671 45.865 45.100 0.157 0.000 0.843 94 G HN 0.514 8.878 8.290 0.124 0.000 0.486 95 Q N -2.228 117.678 119.800 0.177 0.000 2.397 95 Q HA 0.839 5.506 4.340 0.192 -0.212 0.275 95 Q C -1.951 174.165 176.000 0.193 0.000 1.090 95 Q CA -1.757 54.150 55.803 0.174 0.000 0.809 95 Q CB 5.303 34.114 28.738 0.122 0.000 1.362 95 Q HN 0.175 8.555 8.270 0.183 0.000 0.431 96 Y N 4.120 124.472 120.300 0.087 0.000 2.330 96 Y HA 0.505 5.241 4.550 0.045 -0.159 0.336 96 Y C -2.401 173.558 175.900 0.099 0.000 1.036 96 Y CA -1.714 56.424 58.100 0.062 0.000 1.125 96 Y CB 2.394 40.866 38.460 0.020 0.000 1.194 96 Y HN 0.745 9.094 8.280 0.298 0.110 0.469 97 V N 8.196 127.771 119.914 -0.564 0.000 2.376 97 V HA 0.307 4.219 4.120 -0.347 0.000 0.287 97 V C -1.099 174.579 176.094 -0.692 0.000 1.015 97 V CA -1.232 60.802 62.300 -0.443 0.000 0.834 97 V CB 2.840 34.578 31.823 -0.141 0.000 1.001 97 V HN 0.699 8.622 8.190 -0.444 0.000 0.428 98 G N 4.853 113.246 108.800 -0.679 0.000 2.557 98 G HA2 0.484 4.255 3.960 -0.315 0.000 0.292 98 G HA3 0.484 4.374 3.960 -0.115 0.000 0.292 98 G C -0.787 174.056 174.900 -0.096 0.000 1.237 98 G CA -1.157 43.748 45.100 -0.323 0.000 0.978 98 G HN 0.289 8.275 8.290 -0.506 0.000 0.498 99 G N -2.446 106.348 108.800 -0.010 0.000 2.320 99 G HA2 -0.176 3.790 3.960 0.010 0.000 0.274 99 G HA3 -0.176 3.778 3.960 -0.010 0.000 0.274 99 G C -1.112 173.793 174.900 0.009 0.000 1.324 99 G CA -0.395 44.706 45.100 0.001 0.000 0.957 99 G HN -0.192 8.119 8.290 0.034 0.000 0.481 100 A N -1.073 121.750 122.820 0.005 0.000 1.968 100 A HA -0.043 4.275 4.320 -0.002 0.000 0.217 100 A C 0.496 178.079 177.584 -0.002 0.000 1.169 100 A CA 1.327 53.364 52.037 0.000 0.000 0.638 100 A CB 0.211 19.212 19.000 0.000 0.000 0.812 100 A HN 0.088 8.241 8.150 0.004 0.000 0.446 101 E N -0.718 119.486 120.200 0.007 0.000 2.267 101 E HA 0.094 4.449 4.350 0.007 0.000 0.241 101 E C -2.001 174.621 176.600 0.037 0.000 0.950 101 E CA -1.120 55.291 56.400 0.018 0.000 0.776 101 E CB -0.103 29.614 29.700 0.029 0.000 1.207 101 E HN -0.066 8.283 8.360 0.007 0.016 0.436 102 A N 4.296 127.142 122.820 0.042 0.000 2.354 102 A HA 0.175 4.659 4.320 0.017 -0.153 0.269 102 A C -0.870 176.890 177.584 0.293 0.000 1.109 102 A CA -0.250 51.853 52.037 0.109 0.000 0.800 102 A CB 1.748 20.862 19.000 0.191 0.000 1.045 102 A HN 0.230 8.383 8.150 0.005 0.000 0.489 103 R N -1.518 119.160 120.500 0.296 0.000 2.774 103 R HA 0.862 5.789 4.340 0.686 -0.175 0.272 103 R C -1.795 174.672 176.300 0.279 0.000 1.000 103 R CA -2.407 53.942 56.100 0.415 0.000 0.906 103 R CB 4.753 35.197 30.300 0.239 0.000 1.227 103 R HN 0.549 8.868 8.270 0.082 0.000 0.468 104 I N 1.099 121.826 120.570 0.262 0.000 2.410 104 I HA 0.493 4.957 4.170 0.153 -0.202 0.286 104 I C -1.635 174.685 176.117 0.338 0.000 1.009 104 I CA -1.202 60.196 61.300 0.163 0.000 1.111 104 I CB 2.697 40.626 38.000 -0.118 0.000 1.262 104 I HN 0.152 8.603 8.210 0.403 0.000 0.443 105 N N 8.767 127.628 118.700 0.268 0.000 2.425 105 N HA 0.545 5.468 4.740 0.305 0.000 0.268 105 N C -0.675 175.009 175.510 0.290 0.000 0.991 105 N CA -0.964 52.245 53.050 0.266 0.000 0.931 105 N CB 2.038 40.625 38.487 0.167 0.000 1.130 105 N HN 0.708 9.214 8.380 0.210 0.000 0.493 106 T N 0.681 115.455 114.554 0.367 0.000 2.887 106 T HA 0.623 5.254 4.350 0.249 -0.131 0.292 106 T C -0.876 174.005 174.700 0.301 0.000 1.087 106 T CA -2.087 60.225 62.100 0.352 0.000 1.009 106 T CB 3.399 72.584 68.868 0.528 0.000 1.203 106 T HN 0.836 9.321 8.240 0.408 0.000 0.518 107 Q N -0.085 119.831 119.800 0.194 0.000 2.375 107 Q HA 0.748 5.235 4.340 -0.012 -0.154 0.271 107 Q C -1.771 174.228 176.000 -0.002 0.000 1.074 107 Q CA -0.712 55.106 55.803 0.024 0.000 0.808 107 Q CB 4.718 33.439 28.738 -0.028 0.000 1.327 107 Q HN 0.198 8.570 8.270 0.171 0.000 0.441 108 W N -1.165 120.033 121.300 -0.170 0.000 3.031 108 W HA 0.904 5.448 4.660 -0.421 -0.137 0.337 108 W C -3.029 173.288 176.519 -0.338 0.000 1.187 108 W CA -2.654 54.440 57.345 -0.419 0.000 1.166 108 W CB 3.336 32.267 29.460 -0.883 0.000 1.437 108 W HN 0.986 8.645 8.180 -0.704 0.098 0.551 109 L N -0.402 120.840 121.223 0.032 0.000 2.381 109 L HA 0.785 5.324 4.340 -0.004 -0.202 0.274 109 L C -1.811 175.095 176.870 0.060 0.000 0.988 109 L CA -1.247 53.604 54.840 0.018 0.000 0.824 109 L CB 2.793 44.813 42.059 -0.066 0.000 1.263 109 L HN 0.421 8.594 8.230 -0.095 0.000 0.410 110 L N 5.356 126.668 121.223 0.148 0.000 2.319 110 L HA 0.711 5.189 4.340 -0.047 -0.166 0.281 110 L C -1.858 175.018 176.870 0.010 0.000 1.005 110 L CA -1.680 53.179 54.840 0.032 0.000 0.828 110 L CB 3.055 45.123 42.059 0.016 0.000 1.227 110 L HN 0.854 9.203 8.230 0.200 0.000 0.415 111 T N 9.540 124.089 114.554 -0.008 0.000 2.797 111 T HA 0.724 5.288 4.350 -0.027 -0.229 0.279 111 T C -0.729 173.972 174.700 0.002 0.000 0.991 111 T CA -0.407 61.684 62.100 -0.015 0.000 0.979 111 T CB 2.031 70.888 68.868 -0.020 0.000 0.943 111 T HN 0.999 9.232 8.240 -0.011 0.000 0.444 112 S N 6.566 122.259 115.700 -0.012 0.000 2.593 112 S HA 0.504 5.134 4.470 0.038 -0.137 0.297 112 S C -0.167 174.438 174.600 0.009 0.000 1.112 112 S CA -0.390 57.814 58.200 0.007 0.000 1.043 112 S CB 2.186 65.374 63.200 -0.019 0.000 1.054 112 S HN 0.225 8.514 8.310 -0.034 0.000 0.516 113 G N 1.385 110.209 108.800 0.039 0.000 2.364 113 G HA2 -0.006 3.959 3.960 0.010 0.000 0.267 113 G HA3 -0.006 3.971 3.960 0.029 0.000 0.267 113 G C -1.174 173.720 174.900 -0.009 0.000 1.233 113 G CA 0.495 45.606 45.100 0.018 0.000 0.885 113 G HN 0.351 8.690 8.290 0.081 0.000 0.490 114 T N 1.190 115.732 114.554 -0.020 0.000 2.831 114 T HA 0.262 4.594 4.350 -0.031 0.000 0.287 114 T C -0.811 173.880 174.700 -0.016 0.000 1.070 114 T CA -1.676 60.407 62.100 -0.028 0.000 1.010 114 T CB 2.602 71.444 68.868 -0.045 0.000 1.264 114 T HN -0.149 8.082 8.240 -0.015 0.000 0.532 115 T N -3.083 111.466 114.554 -0.008 0.000 2.881 115 T HA 0.158 4.507 4.350 -0.001 0.000 0.278 115 T C 1.148 175.860 174.700 0.021 0.000 0.982 115 T CA -1.405 60.697 62.100 0.004 0.000 0.989 115 T CB 1.287 70.160 68.868 0.008 0.000 1.058 115 T HN -0.150 8.084 8.240 -0.010 0.000 0.529 116 E N 1.593 121.809 120.200 0.026 0.000 2.114 116 E HA -0.460 3.912 4.350 0.038 0.000 0.199 116 E C 2.007 178.650 176.600 0.072 0.000 1.008 116 E CA 3.330 59.755 56.400 0.040 0.000 0.810 116 E CB -0.297 29.422 29.700 0.031 0.000 0.739 116 E HN 0.540 8.911 8.360 0.018 0.000 0.456 117 A N -2.392 120.473 122.820 0.075 0.000 2.067 117 A HA -0.117 4.278 4.320 0.125 0.000 0.219 117 A C 0.593 178.308 177.584 0.219 0.000 1.158 117 A CA 2.110 54.221 52.037 0.123 0.000 0.661 117 A CB -0.448 18.607 19.000 0.092 0.000 0.801 117 A HN 0.224 8.394 8.150 0.053 0.012 0.452 118 N N -3.992 114.787 118.700 0.130 0.000 2.203 118 N HA 0.161 4.995 4.740 0.157 0.000 0.207 118 N C 0.585 176.052 175.510 -0.071 0.000 1.130 118 N CA -0.319 52.758 53.050 0.045 0.000 0.861 118 N CB 0.769 39.225 38.487 -0.052 0.000 1.005 118 N HN -0.532 7.758 8.380 0.074 0.135 0.507 119 A N 1.464 124.313 122.820 0.048 0.000 1.978 119 A HA -0.183 4.118 4.320 -0.031 0.000 0.220 119 A C 1.391 178.986 177.584 0.018 0.000 1.170 119 A CA 3.241 55.289 52.037 0.018 0.000 0.636 119 A CB -0.514 18.520 19.000 0.058 0.000 0.810 119 A HN -0.552 7.479 8.150 0.107 0.183 0.448 120 W N -5.160 116.135 121.300 -0.008 0.000 2.364 120 W HA -0.235 4.418 4.660 -0.011 0.000 0.281 120 W C -0.258 176.254 176.519 -0.011 0.000 1.219 120 W CA 0.730 58.069 57.345 -0.010 0.000 1.220 120 W CB -0.805 28.648 29.460 -0.010 0.000 1.127 120 W HN -0.120 8.257 8.180 0.368 0.024 0.556 121 K N -2.283 117.582 120.400 -0.891 0.000 3.010 121 K HA 0.329 4.301 4.320 -0.580 0.000 0.211 121 K C 0.074 176.414 176.600 -0.434 0.000 1.146 121 K CA -0.704 55.078 56.287 -0.841 0.000 1.070 121 K CB -0.103 31.559 32.500 -1.397 0.000 0.908 121 K HN -0.682 6.838 8.250 -0.997 0.131 0.463 122 S N -0.512 115.030 115.700 -0.262 0.000 2.501 122 S HA -0.048 4.325 4.470 -0.162 0.000 0.220 122 S C -0.466 174.070 174.600 -0.107 0.000 0.997 122 S CA 1.724 59.832 58.200 -0.154 0.000 0.919 122 S CB 1.151 64.296 63.200 -0.091 0.000 0.778 122 S HN -0.413 7.696 8.310 -0.220 0.069 0.523 123 T N 4.405 118.895 114.554 -0.106 0.000 2.812 123 T HA 0.682 5.235 4.350 -0.048 -0.231 0.282 123 T C -0.747 173.911 174.700 -0.070 0.000 0.990 123 T CA 0.077 62.136 62.100 -0.068 0.000 0.960 123 T CB 2.103 70.938 68.868 -0.055 0.000 0.948 123 T HN -0.762 7.359 8.240 -0.130 0.041 0.438 124 L N 8.153 129.360 121.223 -0.026 0.000 2.334 124 L HA 0.375 4.669 4.340 -0.077 0.000 0.275 124 L C -1.699 175.102 176.870 -0.115 0.000 1.036 124 L CA -0.791 54.035 54.840 -0.023 0.000 0.807 124 L CB 2.362 44.487 42.059 0.110 0.000 1.231 124 L HN 0.824 9.060 8.230 0.009 0.000 0.438 125 V N 1.128 120.838 119.914 -0.341 0.000 2.823 125 V HA 0.930 4.833 4.120 -0.699 -0.202 0.312 125 V C -0.958 174.468 176.094 -1.115 0.000 1.072 125 V CA -2.568 59.347 62.300 -0.641 0.000 0.937 125 V CB 3.377 34.985 31.823 -0.358 0.000 1.013 125 V HN -0.032 7.992 8.190 -0.276 0.000 0.430 126 G N 4.766 112.468 108.800 -1.830 0.000 2.619 126 G HA2 0.284 3.686 3.960 -0.931 0.000 0.305 126 G HA3 0.284 3.042 3.960 -2.003 0.000 0.305 126 G C -3.387 170.741 174.900 -1.288 0.000 1.330 126 G CA 0.275 44.378 45.100 -1.662 0.000 0.789 126 G HN -0.021 7.171 8.290 -1.830 0.000 0.487 127 H N -4.120 114.693 119.070 -0.428 0.000 2.894 127 H HA 0.483 5.096 4.556 -0.045 -0.084 0.367 127 H C -1.762 173.744 175.328 0.297 0.000 1.144 127 H CA -1.630 54.394 56.048 -0.039 0.000 1.180 127 H CB 3.422 33.152 29.762 -0.053 0.000 1.758 127 H HN 0.067 7.779 8.280 -0.947 0.000 0.541 128 D N 1.435 122.150 120.400 0.526 0.000 2.732 128 D HA 0.462 5.363 4.640 0.252 -0.109 0.229 128 D C -1.540 174.905 176.300 0.242 0.000 1.152 128 D CA -0.472 53.733 54.000 0.342 0.000 0.854 128 D CB 4.654 45.617 40.800 0.273 0.000 1.590 128 D HN 0.035 8.744 8.370 0.565 0.000 0.468 129 T N 3.203 117.784 114.554 0.044 0.000 2.824 129 T HA 0.722 5.422 4.350 0.297 -0.172 0.282 129 T C -1.249 173.432 174.700 -0.032 0.000 0.993 129 T CA -0.342 61.843 62.100 0.142 0.000 0.967 129 T CB 2.202 71.164 68.868 0.156 0.000 0.960 129 T HN 0.574 9.151 8.240 -0.037 -0.359 0.441 130 F N 5.659 125.790 119.950 0.303 0.000 2.480 130 F HA 0.628 5.572 4.527 0.363 -0.199 0.329 130 F C -0.053 176.050 175.800 0.505 0.000 1.091 130 F CA -1.413 56.813 58.000 0.377 0.000 0.972 130 F CB 3.541 42.731 39.000 0.317 0.000 1.150 130 F HN 0.808 9.451 8.300 0.573 0.000 0.467 131 T N 4.305 119.247 114.554 0.648 0.000 2.829 131 T HA 0.423 5.048 4.350 0.458 0.000 0.280 131 T C -1.234 173.615 174.700 0.247 0.000 0.999 131 T CA -0.612 61.747 62.100 0.431 0.000 0.983 131 T CB 2.475 71.498 68.868 0.259 0.000 0.968 131 T HN 0.951 9.545 8.240 0.590 0.000 0.446 132 K N 6.841 127.099 120.400 -0.238 0.000 2.249 132 K HA 0.092 3.785 4.320 -1.263 -0.130 0.280 132 K C -0.278 176.075 176.600 -0.411 0.000 1.033 132 K CA 0.247 55.978 56.287 -0.928 0.000 0.946 132 K CB 0.875 32.516 32.500 -1.431 0.000 1.005 132 K HN -0.185 7.998 8.250 -0.111 0.000 0.469 133 V N 0.674 120.358 119.914 -0.383 0.000 3.359 133 V HA 0.305 4.369 4.120 -0.094 0.000 0.245 133 V C 0.091 176.083 176.094 -0.170 0.000 1.247 133 V CA 0.289 62.504 62.300 -0.142 0.000 1.145 133 V CB 1.374 33.260 31.823 0.106 0.000 0.906 133 V HN 0.742 8.591 8.190 -0.568 0.000 0.464 134 K N 0.031 120.270 120.400 -0.268 0.000 2.508 134 K HA 0.566 4.790 4.320 -0.160 0.000 0.260 134 K C -2.494 173.947 176.600 -0.265 0.000 0.949 134 K CA -2.783 53.380 56.287 -0.206 0.000 0.834 134 K CB 2.553 34.970 32.500 -0.139 0.000 1.365 134 K HN -0.590 7.421 8.250 -0.399 0.000 0.437 135 P HA 0.000 4.282 4.420 -0.230 0.000 0.216 135 P CA 0.000 62.989 63.100 -0.185 0.000 0.800 135 P CB 0.000 31.619 31.700 -0.135 0.000 0.726