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 2rta_1_A DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V 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 4.183 4.320 -0.229 0.000 0.244 13 A C 0.000 177.469 177.584 -0.191 0.000 1.274 13 A CA 0.000 52.023 52.037 -0.022 0.000 0.836 13 A CB 0.000 19.071 19.000 0.118 0.000 0.831 14 E N 0.323 120.314 120.200 -0.348 0.000 3.824 14 E HA -0.641 3.280 4.350 -0.716 0.000 0.348 14 E C 0.837 177.289 176.600 -0.246 0.000 1.411 14 E CA 3.432 59.612 56.400 -0.366 0.000 1.798 14 E CB -0.574 29.108 29.700 -0.031 0.000 1.612 14 E HN 0.642 8.733 8.360 -0.449 0.000 0.300 15 A N 0.656 123.408 122.820 -0.113 0.000 1.903 15 A HA -0.371 3.902 4.320 -0.078 0.000 0.219 15 A C 1.163 178.694 177.584 -0.090 0.000 1.191 15 A CA 2.342 54.333 52.037 -0.077 0.000 0.638 15 A CB -0.464 18.520 19.000 -0.026 0.000 0.823 15 A HN 0.268 8.381 8.150 -0.061 0.000 0.451 16 G N -4.021 104.731 108.800 -0.080 0.000 2.471 16 G HA2 -0.180 3.804 3.960 0.040 0.000 0.219 16 G HA3 -0.180 3.860 3.960 0.133 0.000 0.219 16 G C 1.549 176.378 174.900 -0.118 0.000 1.125 16 G CA 0.610 45.705 45.100 -0.007 0.000 0.775 16 G HN -0.155 8.020 8.290 -0.069 0.074 0.548 17 I N 1.627 121.972 120.570 -0.376 0.000 2.480 17 I HA -0.219 3.847 4.170 -0.174 0.000 0.251 17 I C -0.074 176.042 176.117 -0.002 0.000 1.124 17 I CA 1.924 63.032 61.300 -0.321 0.000 1.444 17 I CB 0.456 38.079 38.000 -0.629 0.000 1.098 17 I HN -0.328 7.462 8.210 -0.400 0.180 0.428 18 T N 2.185 116.668 114.554 -0.118 0.000 2.908 18 T HA -0.307 4.187 4.350 -0.086 -0.196 0.301 18 T C 0.156 174.792 174.700 -0.107 0.000 1.019 18 T CA 3.350 65.394 62.100 -0.094 0.000 1.152 18 T CB -0.090 68.713 68.868 -0.109 0.000 0.966 18 T HN -0.404 7.725 8.240 -0.185 0.000 0.540 19 G N 7.024 115.741 108.800 -0.140 0.000 2.325 19 G HA2 -0.139 3.684 3.960 -0.229 0.000 0.285 19 G HA3 -0.139 3.602 3.960 -0.365 0.000 0.285 19 G C -3.058 171.601 174.900 -0.401 0.000 1.303 19 G CA -0.192 44.739 45.100 -0.282 0.000 0.970 19 G HN 0.417 8.645 8.290 -0.104 0.000 0.490 20 T N 2.332 116.544 114.554 -0.571 0.000 2.829 20 T HA 0.687 4.860 4.350 -0.607 -0.187 0.282 20 T C -0.538 173.525 174.700 -1.062 0.000 0.990 20 T CA 0.259 61.939 62.100 -0.700 0.000 1.028 20 T CB 1.359 69.913 68.868 -0.522 0.000 0.951 20 T HN 0.066 7.994 8.240 -0.520 0.000 0.460 21 W N 4.807 125.465 121.300 -1.071 0.000 2.844 21 W HA 0.356 4.869 4.660 -0.505 -0.156 0.340 21 W C -1.724 174.330 176.519 -0.775 0.000 1.093 21 W CA -1.328 55.495 57.345 -0.869 0.000 1.212 21 W CB 3.981 32.730 29.460 -1.186 0.000 1.422 21 W HN 0.828 8.438 8.180 -0.950 0.000 0.515 22 Y N -1.615 118.853 120.300 0.282 0.000 2.499 22 Y HA 0.815 5.692 4.550 0.232 -0.188 0.347 22 Y C -0.883 175.211 175.900 0.323 0.000 0.987 22 Y CA -1.979 56.275 58.100 0.256 0.000 1.044 22 Y CB 3.154 41.672 38.460 0.098 0.000 1.245 22 Y HN 1.004 9.533 8.280 0.414 0.000 0.461 23 N N -0.023 118.865 118.700 0.315 0.000 2.592 23 N HA 0.660 5.538 4.740 -0.075 -0.184 0.292 23 N C 1.833 177.377 175.510 0.057 0.000 1.260 23 N CA -2.883 50.142 53.050 -0.040 0.000 0.910 23 N CB 1.665 39.873 38.487 -0.464 0.000 1.257 23 N HN -0.080 8.503 8.380 0.338 0.000 0.569 24 Q N -1.559 118.251 119.800 0.016 0.000 2.226 24 Q HA -0.173 4.204 4.340 0.061 0.000 0.204 24 Q C 1.069 177.107 176.000 0.062 0.000 0.975 24 Q CA 2.787 58.622 55.803 0.053 0.000 0.866 24 Q CB -0.158 28.613 28.738 0.055 0.000 0.915 24 Q HN 0.413 8.656 8.270 -0.045 0.000 0.440 25 L N -4.150 117.117 121.223 0.072 0.000 2.627 25 L HA 0.130 4.509 4.340 0.064 0.000 0.232 25 L C 0.531 177.457 176.870 0.094 0.000 1.150 25 L CA -0.395 54.492 54.840 0.079 0.000 0.917 25 L CB -0.173 41.937 42.059 0.086 0.000 1.104 25 L HN -0.802 7.575 8.230 0.065 -0.108 0.445 26 G N -1.974 106.892 108.800 0.110 0.000 2.132 26 G HA2 -0.369 3.664 3.960 0.122 0.000 0.234 26 G HA3 -0.369 3.647 3.960 0.094 0.000 0.234 26 G C -0.110 174.885 174.900 0.159 0.000 0.989 26 G CA 0.036 45.209 45.100 0.122 0.000 0.676 26 G HN -0.375 7.945 8.290 0.111 0.037 0.522 27 S N 1.090 116.908 115.700 0.196 0.000 2.646 27 S HA 0.500 5.135 4.470 0.152 -0.074 0.276 27 S C -0.922 173.755 174.600 0.128 0.000 1.222 27 S CA 0.252 58.560 58.200 0.180 0.000 1.014 27 S CB 2.186 65.574 63.200 0.314 0.000 0.991 27 S HN -0.101 8.706 8.310 0.202 -0.376 0.533 28 T N 2.814 117.328 114.554 -0.067 0.000 2.909 28 T HA 0.962 5.420 4.350 -0.141 -0.193 0.299 28 T C -1.776 172.728 174.700 -0.325 0.000 1.073 28 T CA -0.515 61.484 62.100 -0.168 0.000 0.999 28 T CB 3.297 72.096 68.868 -0.116 0.000 1.098 28 T HN 0.623 8.780 8.240 -0.139 0.000 0.477 29 F N 1.772 121.435 119.950 -0.479 0.000 2.601 29 F HA 0.998 5.437 4.527 -0.412 -0.160 0.309 29 F C -3.305 172.292 175.800 -0.339 0.000 1.089 29 F CA -2.247 55.465 58.000 -0.481 0.000 0.940 29 F CB 3.658 42.266 39.000 -0.654 0.000 1.273 29 F HN 0.727 8.703 8.300 -0.541 0.000 0.450 30 I N 1.267 121.793 120.570 -0.074 0.000 2.433 30 I HA 0.713 4.926 4.170 -0.259 -0.198 0.292 30 I C -1.982 174.125 176.117 -0.017 0.000 1.001 30 I CA -1.176 60.040 61.300 -0.139 0.000 1.119 30 I CB 2.949 40.872 38.000 -0.129 0.000 1.289 30 I HN 0.614 8.830 8.210 0.010 0.000 0.438 31 V N 7.306 127.199 119.914 -0.035 0.000 3.049 31 V HA 0.752 5.005 4.120 -0.052 -0.164 0.309 31 V C -2.276 173.776 176.094 -0.069 0.000 1.148 31 V CA -2.526 59.752 62.300 -0.036 0.000 0.990 31 V CB 5.331 37.154 31.823 0.000 0.000 1.039 31 V HN 0.707 8.845 8.190 -0.086 0.000 0.430 32 T N 9.154 123.663 114.554 -0.075 0.000 2.812 32 T HA 0.321 4.621 4.350 -0.084 0.000 0.282 32 T C -2.062 172.590 174.700 -0.080 0.000 0.990 32 T CA -0.569 61.487 62.100 -0.073 0.000 0.960 32 T CB 1.755 70.594 68.868 -0.049 0.000 0.948 32 T HN 0.408 8.604 8.240 -0.072 0.000 0.438 33 A N 7.666 130.412 122.820 -0.123 0.000 2.260 33 A HA 0.805 5.265 4.320 -0.078 -0.186 0.314 33 A C -0.681 176.909 177.584 0.010 0.000 1.257 33 A CA -2.109 49.834 52.037 -0.157 0.000 0.871 33 A CB 1.390 20.071 19.000 -0.532 0.000 1.166 33 A HN 0.512 8.583 8.150 -0.132 0.000 0.522 34 G N 1.234 110.119 108.800 0.143 0.000 2.476 34 G HA2 0.146 4.147 3.960 0.068 0.000 0.269 34 G HA3 0.146 4.167 3.960 0.102 0.000 0.269 34 G C 0.068 175.081 174.900 0.188 0.000 1.195 34 G CA -1.137 44.038 45.100 0.125 0.000 0.843 34 G HN 0.665 8.955 8.290 0.195 0.117 0.545 35 A N 2.482 125.365 122.820 0.106 0.000 1.948 35 A HA -0.233 4.371 4.320 0.124 -0.209 0.220 35 A C -0.113 177.502 177.584 0.052 0.000 1.177 35 A CA 2.416 54.507 52.037 0.091 0.000 0.636 35 A CB -0.579 18.448 19.000 0.046 0.000 0.815 35 A HN 0.597 8.789 8.150 0.070 0.000 0.449 36 D N -1.830 118.582 120.400 0.021 0.000 2.894 36 D HA -0.029 4.571 4.640 -0.066 0.000 0.248 36 D C -0.225 175.998 176.300 -0.127 0.000 1.291 36 D CA -0.365 53.606 54.000 -0.048 0.000 0.840 36 D CB -0.441 40.342 40.800 -0.028 0.000 1.044 36 D HN -0.288 8.089 8.370 0.038 0.016 0.484 37 G N -1.398 107.240 108.800 -0.270 0.000 2.162 37 G HA2 -0.464 2.498 3.960 -1.665 0.000 0.260 37 G HA3 -0.464 3.221 3.960 -0.459 0.000 0.260 37 G C -1.749 173.077 174.900 -0.123 0.000 0.976 37 G CA 0.524 45.269 45.100 -0.592 0.000 0.655 37 G HN -0.420 7.672 8.290 -0.193 0.083 0.533 38 A N -0.645 122.232 122.820 0.095 0.000 2.302 38 A HA 0.411 4.906 4.320 0.096 -0.117 0.285 38 A C -1.473 176.239 177.584 0.214 0.000 1.105 38 A CA -1.203 50.914 52.037 0.133 0.000 0.816 38 A CB 2.179 21.221 19.000 0.070 0.000 1.067 38 A HN -0.688 7.469 8.150 0.092 0.048 0.489 39 L N 1.536 122.838 121.223 0.132 0.000 2.376 39 L HA 0.871 5.415 4.340 0.019 -0.192 0.275 39 L C -0.526 176.342 176.870 -0.003 0.000 0.987 39 L CA -1.378 53.491 54.840 0.049 0.000 0.828 39 L CB 2.588 44.664 42.059 0.028 0.000 1.249 39 L HN 0.071 8.364 8.230 0.105 0.000 0.409 40 T N -0.762 113.772 114.554 -0.033 0.000 2.909 40 T HA 0.813 5.289 4.350 -0.037 -0.147 0.299 40 T C -0.648 174.014 174.700 -0.062 0.000 1.073 40 T CA -2.218 59.859 62.100 -0.038 0.000 0.999 40 T CB 3.271 72.129 68.868 -0.016 0.000 1.098 40 T HN 0.281 8.497 8.240 -0.040 0.000 0.477 41 G N 0.026 108.789 108.800 -0.062 0.000 2.356 41 G HA2 0.387 4.323 3.960 -0.041 0.000 0.281 41 G HA3 0.387 4.489 3.960 -0.067 -0.182 0.281 41 G C -2.525 172.356 174.900 -0.033 0.000 1.246 41 G CA 0.976 46.043 45.100 -0.054 0.000 0.889 41 G HN -0.282 7.977 8.290 -0.051 0.000 0.486 42 T N -1.861 112.687 114.554 -0.010 0.000 2.909 42 T HA 0.862 5.421 4.350 0.060 -0.172 0.299 42 T C -2.527 172.224 174.700 0.086 0.000 1.073 42 T CA -1.818 60.307 62.100 0.043 0.000 0.999 42 T CB 3.545 72.432 68.868 0.032 0.000 1.098 42 T HN 0.258 8.491 8.240 -0.012 0.000 0.477 43 Y N 3.109 123.439 120.300 0.051 0.000 2.364 43 Y HA 0.402 5.162 4.550 0.123 -0.136 0.340 43 Y C -2.377 173.681 175.900 0.263 0.000 0.975 43 Y CA -1.758 56.414 58.100 0.120 0.000 1.089 43 Y CB 3.671 42.154 38.460 0.038 0.000 1.192 43 Y HN 0.812 9.252 8.280 0.267 0.000 0.454 44 E N 6.138 126.408 120.200 0.116 0.000 2.191 44 E HA 0.721 5.539 4.350 0.397 -0.230 0.263 44 E C -0.751 176.012 176.600 0.272 0.000 0.881 44 E CA -2.257 54.287 56.400 0.240 0.000 0.757 44 E CB 2.392 32.142 29.700 0.085 0.000 1.147 44 E HN 0.832 9.039 8.360 -0.255 0.000 0.414 45 S N 4.461 120.443 115.700 0.471 0.000 2.707 45 S HA 0.232 4.983 4.470 0.469 0.000 0.276 45 S C -0.075 174.657 174.600 0.220 0.000 1.179 45 S CA -1.132 57.315 58.200 0.412 0.000 0.992 45 S CB 1.341 64.774 63.200 0.389 0.000 1.030 45 S HN -0.230 8.417 8.310 0.562 0.000 0.554 46 A N -0.557 122.367 122.820 0.173 0.000 2.066 46 A HA 0.319 4.695 4.320 0.094 0.000 0.198 46 A C -0.469 177.147 177.584 0.053 0.000 1.405 46 A CA 0.051 52.151 52.037 0.104 0.000 0.973 46 A CB 1.859 20.923 19.000 0.106 0.000 1.026 46 A HN -0.033 8.242 8.150 0.209 0.000 0.474 47 V N -2.681 117.247 119.914 0.024 0.000 3.074 47 V HA 0.313 4.414 4.120 -0.032 0.000 0.314 47 V C -0.380 175.618 176.094 -0.160 0.000 1.117 47 V CA -1.681 60.590 62.300 -0.048 0.000 1.014 47 V CB 2.734 34.531 31.823 -0.043 0.000 1.057 47 V HN -0.700 7.523 8.190 0.056 0.000 0.438 48 G N 2.739 111.436 108.800 -0.171 0.000 2.582 48 G HA2 -0.347 3.478 3.960 -0.226 0.000 0.222 48 G HA3 -0.347 3.353 3.960 -0.433 0.000 0.222 48 G C -0.608 174.168 174.900 -0.206 0.000 1.311 48 G CA -0.250 44.690 45.100 -0.267 0.000 0.915 48 G HN 0.066 8.289 8.290 -0.113 0.000 0.528 49 N N 2.212 120.756 118.700 -0.259 0.000 3.209 49 N HA 0.140 4.837 4.740 -0.070 0.000 0.309 49 N C -1.790 173.634 175.510 -0.143 0.000 1.384 49 N CA -0.950 52.017 53.050 -0.138 0.000 1.173 49 N CB -1.015 37.406 38.487 -0.109 0.000 1.460 49 N HN 0.269 8.425 8.380 -0.372 0.000 0.534 50 A N -1.189 121.558 122.820 -0.123 0.000 2.413 50 A HA 0.310 4.738 4.320 0.180 0.000 0.307 50 A C -2.001 175.716 177.584 0.221 0.000 1.087 50 A CA -1.620 50.441 52.037 0.039 0.000 0.750 50 A CB 3.235 22.103 19.000 -0.220 0.000 1.296 50 A HN -0.503 7.482 8.150 -0.119 0.094 0.423 51 E N 2.196 122.649 120.200 0.421 0.000 2.499 51 E HA 0.277 4.716 4.350 0.148 0.000 0.327 51 E C -1.567 175.094 176.600 0.102 0.000 0.929 51 E CA 0.578 57.099 56.400 0.202 0.000 0.788 51 E CB 2.631 32.407 29.700 0.125 0.000 1.452 51 E HN 0.435 9.279 8.360 0.806 0.000 0.387 52 S N 2.523 118.268 115.700 0.074 0.000 3.954 52 S HA -0.283 4.162 4.470 -0.041 0.000 0.635 52 S C -1.409 173.195 174.600 0.007 0.000 1.824 52 S CA 0.861 59.026 58.200 -0.058 0.000 2.177 52 S CB 0.004 63.037 63.200 -0.279 0.000 0.326 52 S HN 0.178 8.568 8.310 0.134 0.000 1.592 53 R N 1.729 122.148 120.500 -0.134 0.000 2.428 53 R HA 0.566 5.227 4.340 0.173 -0.217 0.294 53 R C -0.718 175.405 176.300 -0.296 0.000 1.000 53 R CA -0.187 55.882 56.100 -0.052 0.000 0.960 53 R CB 1.494 31.781 30.300 -0.022 0.000 1.076 53 R HN 0.057 8.224 8.270 -0.172 0.000 0.475 54 Y N -0.010 120.382 120.300 0.153 0.000 2.499 54 Y HA 0.193 4.792 4.550 0.083 0.000 0.347 54 Y C -0.593 175.324 175.900 0.029 0.000 0.987 54 Y CA -1.532 56.621 58.100 0.088 0.000 1.044 54 Y CB 2.695 41.185 38.460 0.050 0.000 1.245 54 Y HN 0.614 9.143 8.280 0.414 0.000 0.461 55 V N 2.003 121.997 119.914 0.133 0.000 2.715 55 V HA -0.033 4.232 4.120 0.042 -0.119 0.299 55 V C -0.463 175.641 176.094 0.016 0.000 1.054 55 V CA 1.121 63.452 62.300 0.052 0.000 1.077 55 V CB -0.051 31.788 31.823 0.027 0.000 0.972 55 V HN 0.795 9.068 8.190 0.138 0.000 0.484 56 L N 2.390 123.606 121.223 -0.011 0.000 2.370 56 L HA 1.129 5.663 4.340 -0.013 -0.201 0.266 56 L C -1.514 175.339 176.870 -0.029 0.000 1.002 56 L CA -1.738 53.081 54.840 -0.035 0.000 0.818 56 L CB 4.015 45.988 42.059 -0.144 0.000 1.325 56 L HN 0.244 8.465 8.230 -0.016 0.000 0.418 57 T N 1.469 116.034 114.554 0.018 0.000 2.956 57 T HA 0.716 5.238 4.350 0.002 -0.170 0.312 57 T C -1.425 173.328 174.700 0.089 0.000 1.151 57 T CA -1.343 60.773 62.100 0.027 0.000 1.024 57 T CB 2.275 71.154 68.868 0.019 0.000 1.140 57 T HN -0.023 8.254 8.240 0.061 0.000 0.473 58 G N 2.994 111.849 108.800 0.092 0.000 2.561 58 G HA2 0.664 4.703 3.960 0.132 0.000 0.310 58 G HA3 0.664 4.899 3.960 0.227 -0.139 0.310 58 G C -2.974 172.004 174.900 0.129 0.000 1.292 58 G CA 0.645 45.834 45.100 0.147 0.000 0.811 58 G HN 0.532 8.859 8.290 0.061 0.000 0.482 59 R N -3.619 116.975 120.500 0.156 0.000 2.774 59 R HA 1.161 5.797 4.340 0.150 -0.205 0.272 59 R C -1.665 174.762 176.300 0.212 0.000 1.000 59 R CA -2.330 53.852 56.100 0.137 0.000 0.906 59 R CB 4.868 35.196 30.300 0.047 0.000 1.227 59 R HN 0.210 8.587 8.270 0.178 0.000 0.468 60 Y N -2.668 117.654 120.300 0.036 0.000 2.677 60 Y HA 0.641 5.351 4.550 0.059 -0.125 0.334 60 Y C -2.053 173.867 175.900 0.033 0.000 1.154 60 Y CA -2.644 55.481 58.100 0.041 0.000 1.070 60 Y CB 2.475 40.947 38.460 0.020 0.000 1.294 60 Y HN 0.465 8.710 8.280 -0.058 0.000 0.475 61 D N 0.541 120.953 120.400 0.020 0.000 2.339 61 D HA 0.127 4.677 4.640 -0.151 0.000 0.241 61 D C 0.123 176.349 176.300 -0.124 0.000 1.183 61 D CA -1.531 52.426 54.000 -0.072 0.000 0.859 61 D CB 0.377 41.210 40.800 0.055 0.000 1.067 61 D HN 0.001 8.519 8.370 0.247 0.000 0.484 62 S N 2.670 118.156 115.700 -0.357 0.000 2.754 62 S HA -0.149 4.363 4.470 0.070 0.000 0.223 62 S C -1.128 173.474 174.600 0.004 0.000 0.951 62 S CA 0.220 58.306 58.200 -0.190 0.000 0.954 62 S CB -0.639 62.361 63.200 -0.333 0.000 0.780 62 S HN 0.149 8.227 8.310 -0.387 0.000 0.509 63 A N 0.760 123.591 122.820 0.018 0.000 3.399 63 A HA 0.329 4.683 4.320 0.056 0.000 0.262 63 A C -3.343 174.273 177.584 0.054 0.000 1.145 63 A CA -1.852 50.208 52.037 0.038 0.000 0.916 63 A CB 0.425 19.430 19.000 0.009 0.000 1.360 63 A HN -0.385 7.725 8.150 0.004 0.042 0.628 64 P HA 0.151 4.825 4.420 0.084 -0.204 0.274 64 P C -1.081 176.263 177.300 0.074 0.000 1.260 64 P CA -0.627 62.531 63.100 0.097 0.000 0.793 64 P CB 1.340 33.126 31.700 0.143 0.000 1.048 65 A N -2.360 120.500 122.820 0.066 0.000 2.296 65 A HA -0.089 4.258 4.320 0.045 0.000 0.264 65 A C 0.170 177.786 177.584 0.054 0.000 1.097 65 A CA 0.084 52.152 52.037 0.052 0.000 0.811 65 A CB 1.217 20.243 19.000 0.043 0.000 1.072 65 A HN 0.089 8.282 8.150 0.071 0.000 0.495 66 T N -4.264 110.316 114.554 0.044 0.000 3.287 66 T HA 0.054 4.434 4.350 0.050 0.000 0.253 66 T C -0.690 174.032 174.700 0.037 0.000 0.975 66 T CA -0.891 61.235 62.100 0.043 0.000 0.912 66 T CB -0.412 68.478 68.868 0.036 0.000 1.071 66 T HN 0.195 8.535 8.240 0.038 -0.077 0.578 67 D N -0.565 119.857 120.400 0.037 0.000 2.621 67 D HA 0.200 4.762 4.640 0.028 0.095 0.255 67 D C 0.318 176.638 176.300 0.032 0.000 1.122 67 D CA -2.152 51.866 54.000 0.031 0.000 1.096 67 D CB 1.422 42.238 40.800 0.027 0.000 1.282 67 D HN -0.712 7.898 8.370 0.042 -0.215 0.619 68 G N -2.368 106.448 108.800 0.026 0.000 3.353 68 G HA2 -0.045 3.929 3.960 0.025 0.000 0.247 68 G HA3 -0.045 3.926 3.960 0.018 0.000 0.247 68 G C -0.690 174.224 174.900 0.024 0.000 1.025 68 G CA -0.011 45.103 45.100 0.023 0.000 1.863 68 G HN 0.077 8.381 8.290 0.023 0.000 0.635 69 S N 0.531 116.251 115.700 0.033 0.000 2.722 69 S HA 0.082 4.570 4.470 0.030 0.000 0.292 69 S C -0.568 174.059 174.600 0.045 0.000 1.135 69 S CA 0.105 58.328 58.200 0.038 0.000 1.003 69 S CB 2.756 65.982 63.200 0.045 0.000 1.067 69 S HN -0.176 8.148 8.310 0.039 0.009 0.546 70 G N -0.638 108.192 108.800 0.050 0.000 2.502 70 G HA2 0.281 4.351 3.960 0.038 0.000 0.305 70 G HA3 0.281 4.384 3.960 0.057 -0.109 0.305 70 G C -1.136 173.837 174.900 0.122 0.000 1.190 70 G CA -0.800 44.339 45.100 0.065 0.000 0.933 70 G HN -0.135 8.254 8.290 0.047 -0.071 0.503 71 T N 3.916 118.587 114.554 0.194 0.000 2.743 71 T HA 0.103 4.562 4.350 0.182 0.000 0.292 71 T C -0.837 173.989 174.700 0.210 0.000 0.972 71 T CA 0.315 62.551 62.100 0.228 0.000 0.967 71 T CB 0.924 69.986 68.868 0.323 0.000 0.926 71 T HN 0.370 8.630 8.240 0.223 0.113 0.459 72 A N 8.489 131.408 122.820 0.164 0.000 2.425 72 A HA 0.599 5.194 4.320 0.144 -0.189 0.249 72 A C -1.436 176.255 177.584 0.179 0.000 1.084 72 A CA -0.549 51.575 52.037 0.146 0.000 0.781 72 A CB 1.037 20.098 19.000 0.102 0.000 1.019 72 A HN 0.763 8.998 8.150 0.142 0.000 0.490 73 L N -4.106 117.226 121.223 0.181 0.000 2.765 73 L HA 1.023 5.598 4.340 0.202 -0.114 0.263 73 L C -1.733 175.249 176.870 0.187 0.000 1.068 73 L CA -1.487 53.482 54.840 0.216 0.000 0.903 73 L CB 3.827 46.047 42.059 0.269 0.000 1.512 73 L HN 0.531 8.859 8.230 0.162 0.000 0.404 74 G N -3.762 105.168 108.800 0.216 0.000 2.703 74 G HA2 0.755 4.891 3.960 0.022 0.000 0.294 74 G HA3 0.755 4.753 3.960 0.064 0.000 0.294 74 G C -3.453 171.601 174.900 0.257 0.000 1.451 74 G CA 0.695 45.873 45.100 0.131 0.000 0.869 74 G HN -0.003 8.437 8.290 0.251 0.000 0.516 75 W N -2.707 118.617 121.300 0.041 0.000 3.074 75 W HA 0.768 5.526 4.660 -0.024 -0.113 0.332 75 W C -3.044 173.523 176.519 0.079 0.000 1.253 75 W CA -1.870 55.463 57.345 -0.020 0.000 1.180 75 W CB 2.292 31.634 29.460 -0.197 0.000 1.445 75 W HN 0.474 8.509 8.180 -0.242 0.000 0.573 76 T N 1.380 116.057 114.554 0.204 0.000 2.893 76 T HA 0.892 5.473 4.350 0.049 -0.202 0.291 76 T C -1.443 173.295 174.700 0.063 0.000 1.028 76 T CA -0.503 61.647 62.100 0.083 0.000 0.995 76 T CB 3.081 71.948 68.868 -0.003 0.000 1.051 76 T HN 0.578 8.963 8.240 0.242 0.000 0.470 77 V N 4.440 124.288 119.914 -0.110 0.000 2.569 77 V HA 0.365 4.481 4.120 -0.263 -0.153 0.301 77 V C -2.286 173.390 176.094 -0.698 0.000 1.044 77 V CA -1.269 60.777 62.300 -0.423 0.000 0.874 77 V CB 3.699 35.044 31.823 -0.796 0.000 1.002 77 V HN 0.570 8.673 8.190 -0.145 0.000 0.424 78 A N 5.488 128.022 122.820 -0.476 0.000 2.274 78 A HA 0.500 4.725 4.320 -0.337 -0.108 0.309 78 A C -0.062 177.300 177.584 -0.369 0.000 1.226 78 A CA -1.583 50.256 52.037 -0.329 0.000 0.853 78 A CB 1.387 20.317 19.000 -0.117 0.000 1.146 78 A HN 0.683 8.648 8.150 -0.309 0.000 0.518 79 W N 5.449 126.674 121.300 -0.124 0.000 1.395 79 W HA -0.083 4.222 4.660 -0.591 0.000 0.451 79 W C -1.458 175.091 176.519 0.050 0.000 0.619 79 W CA -1.362 55.834 57.345 -0.249 0.000 2.212 79 W CB -0.741 28.526 29.460 -0.322 0.000 1.537 79 W HN 0.768 8.891 8.180 -0.095 0.000 0.275 80 K N 1.316 121.947 120.400 0.386 0.000 2.507 80 K HA 0.767 5.476 4.320 0.278 -0.222 0.251 80 K C -1.747 175.030 176.600 0.295 0.000 0.943 80 K CA -1.182 55.279 56.287 0.290 0.000 0.794 80 K CB 3.088 35.648 32.500 0.100 0.000 1.188 80 K HN -0.319 8.054 8.250 0.341 0.083 0.428 81 N N 4.649 123.461 118.700 0.187 0.000 3.439 81 N HA 0.242 4.999 4.740 0.028 0.000 0.313 81 N C -0.206 175.319 175.510 0.024 0.000 1.598 81 N CA -1.001 52.068 53.050 0.031 0.000 0.830 81 N CB 0.785 39.145 38.487 -0.212 0.000 1.849 81 N HN 0.879 9.381 8.380 0.205 0.000 0.598 82 N N -1.508 117.182 118.700 -0.017 0.000 2.521 82 N HA 0.064 4.703 4.740 -0.168 0.000 0.188 82 N C -0.348 174.875 175.510 -0.478 0.000 1.146 82 N CA 1.955 54.867 53.050 -0.231 0.000 0.893 82 N CB -0.462 37.809 38.487 -0.359 0.000 0.975 82 N HN 0.290 8.687 8.380 0.027 0.000 0.451 83 Y N -3.046 117.247 120.300 -0.012 0.000 2.423 83 Y HA 0.118 4.676 4.550 0.014 0.000 0.257 83 Y C -1.011 174.918 175.900 0.047 0.000 1.087 83 Y CA 0.486 58.593 58.100 0.012 0.000 1.258 83 Y CB 2.154 40.615 38.460 0.003 0.000 1.237 83 Y HN -0.254 8.415 8.280 0.200 -0.269 0.517 84 R N -0.727 119.905 120.500 0.220 0.000 2.668 84 R HA 0.220 4.653 4.340 0.155 0.000 0.272 84 R C -2.790 173.614 176.300 0.174 0.000 1.019 84 R CA -0.532 55.691 56.100 0.205 0.000 0.894 84 R CB 3.826 34.300 30.300 0.290 0.000 1.228 84 R HN -0.192 8.442 8.270 0.204 -0.242 0.460 85 N N 3.897 122.646 118.700 0.081 0.000 2.609 85 N HA 0.310 5.166 4.740 -0.016 -0.125 0.268 85 N C -0.639 174.757 175.510 -0.191 0.000 1.106 85 N CA -0.162 52.837 53.050 -0.086 0.000 0.823 85 N CB 0.983 39.361 38.487 -0.182 0.000 1.263 85 N HN 0.459 8.892 8.380 0.088 0.000 0.533 86 A N 4.299 127.086 122.820 -0.056 0.000 2.251 86 A HA 0.070 4.460 4.320 0.116 0.000 0.209 86 A C -0.172 177.466 177.584 0.091 0.000 1.187 86 A CA -0.056 52.004 52.037 0.039 0.000 0.823 86 A CB 0.165 19.181 19.000 0.027 0.000 0.846 86 A HN 0.742 8.921 8.150 0.050 0.000 0.486 87 H N -3.532 115.590 119.070 0.085 0.000 2.692 87 H HA -0.393 4.199 4.556 0.061 0.000 0.316 87 H C -1.918 173.445 175.328 0.058 0.000 1.176 87 H CA 1.052 57.136 56.048 0.059 0.000 1.142 87 H CB -2.937 26.844 29.762 0.031 0.000 1.475 87 H HN -0.368 7.810 8.280 -0.448 -0.167 0.423 88 S N -5.212 110.576 115.700 0.146 0.000 2.615 88 S HA 0.891 5.529 4.470 0.109 -0.103 0.269 88 S C -2.562 172.172 174.600 0.223 0.000 1.161 88 S CA -1.028 57.272 58.200 0.165 0.000 0.817 88 S CB 4.152 67.433 63.200 0.136 0.000 1.131 88 S HN -0.448 7.936 8.310 0.125 0.000 0.467 89 A N -1.130 121.781 122.820 0.153 0.000 2.549 89 A HA 0.827 5.126 4.320 -0.243 -0.124 0.297 89 A C -2.375 175.189 177.584 -0.032 0.000 1.061 89 A CA -0.441 51.573 52.037 -0.039 0.000 0.690 89 A CB 3.938 22.880 19.000 -0.097 0.000 1.287 89 A HN 0.700 8.917 8.150 0.112 0.000 0.402 90 T N 3.835 118.273 114.554 -0.193 0.000 2.863 90 T HA 0.954 5.343 4.350 -0.259 -0.194 0.285 90 T C -0.632 173.786 174.700 -0.470 0.000 1.009 90 T CA -1.220 60.662 62.100 -0.363 0.000 0.989 90 T CB 2.569 71.095 68.868 -0.570 0.000 1.004 90 T HN 0.715 8.696 8.240 -0.432 0.000 0.455 91 T N 1.594 115.878 114.554 -0.450 0.000 2.863 91 T HA 0.818 5.258 4.350 -0.172 -0.192 0.285 91 T C -1.722 172.738 174.700 -0.400 0.000 1.009 91 T CA -1.820 60.108 62.100 -0.287 0.000 0.989 91 T CB 2.500 71.277 68.868 -0.152 0.000 1.004 91 T HN 0.571 8.574 8.240 -0.395 0.000 0.455 92 W N 3.108 124.050 121.300 -0.596 0.000 2.632 92 W HA 0.487 5.158 4.660 -0.243 -0.157 0.328 92 W C -1.419 174.784 176.519 -0.527 0.000 1.044 92 W CA -1.525 55.437 57.345 -0.637 0.000 1.225 92 W CB 3.761 32.370 29.460 -1.419 0.000 1.396 92 W HN 0.895 8.925 8.180 -0.250 0.000 0.499 93 S N 1.610 117.272 115.700 -0.063 0.000 2.532 93 S HA 0.809 5.406 4.470 -0.025 -0.142 0.299 93 S C -1.058 173.572 174.600 0.049 0.000 1.105 93 S CA -1.653 56.536 58.200 -0.019 0.000 1.018 93 S CB 1.758 64.950 63.200 -0.014 0.000 1.021 93 S HN 0.731 9.042 8.310 0.001 0.000 0.483 94 G N 3.839 112.691 108.800 0.086 0.000 2.364 94 G HA2 0.550 4.573 3.960 0.106 0.000 0.286 94 G HA3 0.550 4.810 3.960 0.170 -0.198 0.286 94 G C -3.524 171.465 174.900 0.148 0.000 1.241 94 G CA 0.874 46.052 45.100 0.130 0.000 0.887 94 G HN 0.517 8.860 8.290 0.089 0.000 0.484 95 Q N -3.280 116.617 119.800 0.161 0.000 2.416 95 Q HA 0.862 5.497 4.340 0.189 -0.182 0.281 95 Q C -2.527 173.582 176.000 0.182 0.000 1.067 95 Q CA -2.179 53.724 55.803 0.166 0.000 0.809 95 Q CB 4.507 33.317 28.738 0.120 0.000 1.418 95 Q HN 0.168 8.538 8.270 0.166 0.000 0.411 96 Y N 2.862 123.200 120.300 0.062 0.000 2.323 96 Y HA 0.627 5.339 4.550 -0.008 -0.166 0.331 96 Y C -2.243 173.697 175.900 0.067 0.000 1.092 96 Y CA -1.576 56.539 58.100 0.027 0.000 1.150 96 Y CB 2.441 40.898 38.460 -0.005 0.000 1.200 96 Y HN 0.692 9.035 8.280 0.294 0.113 0.472 97 V N 7.399 126.911 119.914 -0.670 0.000 2.483 97 V HA 0.263 4.151 4.120 -0.386 0.000 0.297 97 V C -1.276 174.313 176.094 -0.843 0.000 1.027 97 V CA -1.226 60.763 62.300 -0.518 0.000 0.855 97 V CB 3.146 34.861 31.823 -0.180 0.000 0.995 97 V HN 0.477 8.314 8.190 -0.588 0.000 0.424 98 G N 4.524 112.929 108.800 -0.659 0.000 2.583 98 G HA2 0.490 4.301 3.960 -0.249 0.000 0.280 98 G HA3 0.490 4.424 3.960 -0.044 0.000 0.280 98 G C -0.476 174.389 174.900 -0.059 0.000 1.376 98 G CA -1.503 43.433 45.100 -0.272 0.000 1.043 98 G HN 0.325 8.356 8.290 -0.432 0.000 0.538 99 G N -1.910 106.909 108.800 0.032 0.000 2.526 99 G HA2 -0.270 3.710 3.960 0.034 0.000 0.250 99 G HA3 -0.270 3.696 3.960 0.010 0.000 0.250 99 G C 0.464 175.382 174.900 0.030 0.000 1.289 99 G CA -0.729 44.386 45.100 0.026 0.000 0.947 99 G HN -0.061 8.280 8.290 0.085 0.000 0.517 100 A N 1.982 124.815 122.820 0.021 0.000 1.881 100 A HA -0.238 4.090 4.320 0.014 0.000 0.219 100 A C 0.451 178.050 177.584 0.025 0.000 1.215 100 A CA 2.381 54.429 52.037 0.018 0.000 0.648 100 A CB -0.072 18.936 19.000 0.015 0.000 0.832 100 A HN 0.353 8.514 8.150 0.018 0.000 0.455 101 E N -1.158 119.061 120.200 0.031 0.000 2.751 101 E HA 0.129 4.511 4.350 0.054 0.000 0.219 101 E C -2.089 174.553 176.600 0.070 0.000 1.060 101 E CA -1.762 54.668 56.400 0.051 0.000 0.893 101 E CB -0.820 28.909 29.700 0.047 0.000 1.300 101 E HN 0.028 8.403 8.360 0.025 0.000 0.433 102 A N 3.906 126.784 122.820 0.097 0.000 2.445 102 A HA 0.290 4.757 4.320 0.012 -0.140 0.242 102 A C -0.895 176.872 177.584 0.304 0.000 1.075 102 A CA 0.138 52.261 52.037 0.144 0.000 0.777 102 A CB 0.959 20.115 19.000 0.261 0.000 1.013 102 A HN 0.164 8.318 8.150 0.083 0.045 0.493 103 R N -3.095 117.554 120.500 0.249 0.000 2.716 103 R HA 0.814 5.659 4.340 0.600 -0.146 0.271 103 R C -2.320 174.051 176.300 0.118 0.000 1.028 103 R CA -1.298 54.990 56.100 0.314 0.000 0.883 103 R CB 3.282 33.714 30.300 0.220 0.000 1.250 103 R HN 0.629 8.914 8.270 0.025 0.000 0.465 104 I N 0.020 120.667 120.570 0.128 0.000 2.439 104 I HA 0.639 5.098 4.170 0.113 -0.221 0.285 104 I C -1.723 174.578 176.117 0.308 0.000 1.021 104 I CA -1.323 60.053 61.300 0.126 0.000 1.091 104 I CB 2.527 40.502 38.000 -0.042 0.000 1.242 104 I HN 0.335 8.700 8.210 0.259 0.000 0.439 105 N N 9.431 128.276 118.700 0.242 0.000 2.419 105 N HA 0.489 5.393 4.740 0.274 0.000 0.277 105 N C -0.986 174.686 175.510 0.270 0.000 1.006 105 N CA 0.127 53.321 53.050 0.241 0.000 0.923 105 N CB 2.490 41.067 38.487 0.150 0.000 1.140 105 N HN 0.337 8.827 8.380 0.184 0.000 0.488 106 T N -0.461 114.293 114.554 0.333 0.000 2.841 106 T HA 0.718 5.342 4.350 0.222 -0.141 0.296 106 T C -1.535 173.330 174.700 0.275 0.000 1.166 106 T CA -2.064 60.229 62.100 0.322 0.000 1.007 106 T CB 3.369 72.534 68.868 0.494 0.000 1.253 106 T HN 0.604 9.059 8.240 0.358 0.000 0.511 107 Q N 0.008 119.908 119.800 0.166 0.000 2.394 107 Q HA 0.744 5.201 4.340 -0.040 -0.141 0.273 107 Q C -1.651 174.344 176.000 -0.009 0.000 1.089 107 Q CA -0.964 54.841 55.803 0.003 0.000 0.812 107 Q CB 4.863 33.578 28.738 -0.038 0.000 1.353 107 Q HN 0.384 8.741 8.270 0.145 0.000 0.438 108 W N -1.560 119.643 121.300 -0.162 0.000 3.031 108 W HA 0.979 5.538 4.660 -0.420 -0.151 0.337 108 W C -2.962 173.366 176.519 -0.318 0.000 1.187 108 W CA -2.865 54.234 57.345 -0.410 0.000 1.166 108 W CB 3.457 32.398 29.460 -0.865 0.000 1.437 108 W HN 1.045 8.720 8.180 -0.662 0.109 0.551 109 L N -0.313 120.940 121.223 0.051 0.000 2.381 109 L HA 0.787 5.338 4.340 0.023 -0.197 0.274 109 L C -1.894 175.015 176.870 0.064 0.000 0.988 109 L CA -1.233 53.628 54.840 0.035 0.000 0.824 109 L CB 3.143 45.169 42.059 -0.054 0.000 1.263 109 L HN 0.432 8.612 8.230 -0.082 0.000 0.410 110 L N 5.230 126.540 121.223 0.145 0.000 2.319 110 L HA 0.728 5.216 4.340 -0.037 -0.170 0.281 110 L C -1.795 175.086 176.870 0.018 0.000 1.005 110 L CA -1.574 53.288 54.840 0.036 0.000 0.828 110 L CB 3.014 45.082 42.059 0.016 0.000 1.227 110 L HN 0.903 9.252 8.230 0.198 0.000 0.415 111 T N 9.497 124.051 114.554 -0.000 0.000 2.823 111 T HA 0.704 5.265 4.350 -0.020 -0.222 0.279 111 T C -0.774 173.930 174.700 0.007 0.000 0.998 111 T CA -0.765 61.330 62.100 -0.009 0.000 0.994 111 T CB 1.976 70.835 68.868 -0.016 0.000 0.960 111 T HN 0.712 8.950 8.240 -0.004 0.000 0.448 112 S N 5.594 121.289 115.700 -0.008 0.000 2.549 112 S HA 0.422 5.046 4.470 0.042 -0.128 0.297 112 S C -0.239 174.364 174.600 0.005 0.000 1.115 112 S CA -0.583 57.622 58.200 0.008 0.000 1.059 112 S CB 2.705 65.893 63.200 -0.020 0.000 1.046 112 S HN 0.316 8.608 8.310 -0.031 0.000 0.506 113 G N 1.856 110.678 108.800 0.036 0.000 2.361 113 G HA2 -0.054 3.914 3.960 0.013 0.000 0.260 113 G HA3 -0.054 3.933 3.960 0.046 0.000 0.260 113 G C -1.171 173.722 174.900 -0.011 0.000 1.261 113 G CA 0.566 45.680 45.100 0.022 0.000 0.897 113 G HN 0.318 8.654 8.290 0.076 0.000 0.499 114 T N 1.316 115.856 114.554 -0.024 0.000 2.831 114 T HA 0.251 4.574 4.350 -0.045 0.000 0.287 114 T C -0.587 174.100 174.700 -0.022 0.000 1.070 114 T CA -1.690 60.387 62.100 -0.039 0.000 1.010 114 T CB 2.540 71.367 68.868 -0.067 0.000 1.264 114 T HN -0.183 8.047 8.240 -0.017 0.000 0.532 115 T N -3.010 111.532 114.554 -0.019 0.000 2.847 115 T HA 0.172 4.521 4.350 -0.002 0.000 0.279 115 T C 1.079 175.787 174.700 0.013 0.000 0.984 115 T CA -1.116 60.983 62.100 -0.002 0.000 0.988 115 T CB 1.138 70.007 68.868 0.002 0.000 1.040 115 T HN -0.114 8.110 8.240 -0.027 0.000 0.528 116 E N 0.371 120.586 120.200 0.024 0.000 2.204 116 E HA -0.384 3.988 4.350 0.037 0.000 0.195 116 E C 2.319 178.963 176.600 0.074 0.000 0.990 116 E CA 2.859 59.283 56.400 0.041 0.000 0.821 116 E CB -0.533 29.188 29.700 0.036 0.000 0.750 116 E HN 0.439 8.810 8.360 0.019 0.000 0.477 117 A N -0.307 122.558 122.820 0.076 0.000 1.969 117 A HA -0.134 4.267 4.320 0.135 0.000 0.218 117 A C 0.582 178.295 177.584 0.215 0.000 1.169 117 A CA 2.390 54.504 52.037 0.129 0.000 0.635 117 A CB -0.619 18.441 19.000 0.100 0.000 0.810 117 A HN 0.090 8.246 8.150 0.053 0.026 0.445 118 N N -3.828 114.932 118.700 0.100 0.000 2.235 118 N HA 0.127 4.884 4.740 0.028 0.000 0.209 118 N C 0.573 175.980 175.510 -0.171 0.000 1.122 118 N CA -0.119 52.911 53.050 -0.032 0.000 0.845 118 N CB 0.423 38.857 38.487 -0.088 0.000 1.004 118 N HN -0.609 7.693 8.380 0.054 0.110 0.499 119 A N 1.183 123.994 122.820 -0.014 0.000 2.019 119 A HA -0.102 4.174 4.320 -0.073 0.000 0.219 119 A C 1.744 179.295 177.584 -0.055 0.000 1.164 119 A CA 2.784 54.802 52.037 -0.032 0.000 0.644 119 A CB -0.407 18.616 19.000 0.039 0.000 0.805 119 A HN -0.585 7.427 8.150 0.075 0.183 0.449 120 W N -5.328 115.969 121.300 -0.006 0.000 2.525 120 W HA -0.189 4.466 4.660 -0.008 0.000 0.259 120 W C -0.370 176.144 176.519 -0.008 0.000 1.253 120 W CA 0.420 57.761 57.345 -0.008 0.000 1.262 120 W CB -0.842 28.613 29.460 -0.008 0.000 1.122 120 W HN -0.122 8.168 8.180 0.232 0.029 0.607 121 K N -1.562 118.212 120.400 -1.043 0.000 2.726 121 K HA 0.396 4.305 4.320 -0.685 0.000 0.209 121 K C -0.166 176.157 176.600 -0.462 0.000 1.082 121 K CA -0.472 55.237 56.287 -0.964 0.000 1.081 121 K CB -0.352 31.179 32.500 -1.614 0.000 0.830 121 K HN -0.668 6.769 8.250 -1.088 0.161 0.470 122 S N -0.469 115.060 115.700 -0.286 0.000 2.503 122 S HA 0.021 4.387 4.470 -0.173 0.000 0.217 122 S C -0.715 173.822 174.600 -0.104 0.000 0.999 122 S CA 1.304 59.405 58.200 -0.165 0.000 0.914 122 S CB 0.900 64.034 63.200 -0.110 0.000 0.782 122 S HN -0.297 7.796 8.310 -0.253 0.065 0.520 123 T N 4.962 119.459 114.554 -0.095 0.000 2.792 123 T HA 0.649 5.225 4.350 -0.035 -0.246 0.280 123 T C -0.444 174.228 174.700 -0.046 0.000 0.990 123 T CA 0.290 62.358 62.100 -0.052 0.000 0.960 123 T CB 2.036 70.880 68.868 -0.041 0.000 0.939 123 T HN -0.732 7.438 8.240 -0.116 0.000 0.439 124 L N 5.100 126.322 121.223 -0.002 0.000 2.334 124 L HA 0.457 4.773 4.340 -0.039 0.000 0.275 124 L C -1.325 175.515 176.870 -0.051 0.000 1.036 124 L CA -0.856 53.991 54.840 0.012 0.000 0.807 124 L CB 2.597 44.739 42.059 0.137 0.000 1.231 124 L HN 0.735 8.981 8.230 0.027 0.000 0.438 125 V N 1.113 120.875 119.914 -0.252 0.000 2.823 125 V HA 1.022 5.018 4.120 -0.541 -0.200 0.312 125 V C -1.405 174.086 176.094 -1.004 0.000 1.072 125 V CA -2.844 59.141 62.300 -0.525 0.000 0.937 125 V CB 3.285 34.928 31.823 -0.300 0.000 1.013 125 V HN 0.013 8.080 8.190 -0.206 0.000 0.430 126 G N 4.657 112.442 108.800 -1.691 0.000 2.619 126 G HA2 0.256 3.706 3.960 -0.851 0.000 0.305 126 G HA3 0.256 2.848 3.960 -2.281 0.000 0.305 126 G C -3.322 170.773 174.900 -1.342 0.000 1.330 126 G CA 0.293 44.375 45.100 -1.698 0.000 0.789 126 G HN 0.176 7.521 8.290 -1.576 0.000 0.487 127 H N -4.009 114.696 119.070 -0.610 0.000 2.961 127 H HA 0.591 5.153 4.556 -0.147 -0.095 0.371 127 H C -1.851 173.637 175.328 0.267 0.000 1.190 127 H CA -1.662 54.306 56.048 -0.133 0.000 1.138 127 H CB 3.522 33.234 29.762 -0.084 0.000 1.816 127 H HN 0.073 7.731 8.280 -1.036 0.000 0.551 128 D N -0.105 120.560 120.400 0.441 0.000 2.859 128 D HA 0.201 4.957 4.640 0.193 0.000 0.223 128 D C -1.401 175.014 176.300 0.193 0.000 1.218 128 D CA -0.100 54.077 54.000 0.296 0.000 0.850 128 D CB 4.585 45.560 40.800 0.293 0.000 1.656 128 D HN 0.221 8.765 8.370 0.466 0.106 0.484 129 T N 3.580 118.144 114.554 0.017 0.000 2.812 129 T HA 0.593 5.271 4.350 0.254 -0.176 0.282 129 T C -1.207 173.480 174.700 -0.021 0.000 0.990 129 T CA -0.240 61.928 62.100 0.114 0.000 0.960 129 T CB 1.515 70.468 68.868 0.142 0.000 0.948 129 T HN 0.217 8.427 8.240 -0.049 0.000 0.438 130 F N 6.723 126.853 119.950 0.300 0.000 2.480 130 F HA 0.848 5.790 4.527 0.352 -0.204 0.329 130 F C -0.258 175.812 175.800 0.451 0.000 1.091 130 F CA -1.620 56.591 58.000 0.353 0.000 0.972 130 F CB 3.512 42.709 39.000 0.328 0.000 1.150 130 F HN 0.960 9.580 8.300 0.534 0.000 0.467 131 T N -2.997 111.959 114.554 0.670 0.000 2.887 131 T HA 0.597 5.359 4.350 0.685 0.000 0.292 131 T C 0.479 175.403 174.700 0.374 0.000 1.087 131 T CA -2.215 60.211 62.100 0.543 0.000 1.009 131 T CB 3.318 72.366 68.868 0.300 0.000 1.203 131 T HN 0.748 9.349 8.240 0.601 0.000 0.518 132 K N 0.699 121.107 120.400 0.014 0.000 2.418 132 K HA 0.168 4.341 4.320 -0.515 -0.161 0.195 132 K C -0.568 176.065 176.600 0.055 0.000 1.035 132 K CA 2.033 58.161 56.287 -0.265 0.000 1.003 132 K CB 0.534 32.767 32.500 -0.444 0.000 0.793 132 K HN 0.516 8.806 8.250 0.066 0.000 0.494 133 V N 0.000 119.967 119.914 0.088 0.000 2.409 133 V HA 0.000 4.075 4.120 -0.074 0.000 0.244 133 V CA 0.000 62.288 62.300 -0.019 0.000 1.235 133 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 133 V HN 0.000 8.193 8.190 0.105 0.060 0.556