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 1vwq_1_B 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 4.118 4.320 -0.337 0.000 0.244 13 A C 0.000 177.475 177.584 -0.182 0.000 1.274 13 A CA 0.000 51.995 52.037 -0.071 0.000 0.836 13 A CB 0.000 19.045 19.000 0.075 0.000 0.831 14 E N -0.733 119.264 120.200 -0.339 0.000 4.001 14 E HA -0.566 3.409 4.350 -0.625 0.000 0.234 14 E C 0.789 177.248 176.600 -0.235 0.000 1.285 14 E CA 3.172 59.378 56.400 -0.324 0.000 2.099 14 E CB -0.606 29.084 29.700 -0.017 0.000 1.843 14 E HN 0.512 8.579 8.360 -0.489 0.000 0.275 15 A N 0.015 122.764 122.820 -0.118 0.000 1.902 15 A HA -0.253 4.012 4.320 -0.090 0.000 0.217 15 A C 1.068 178.592 177.584 -0.100 0.000 1.181 15 A CA 2.363 54.349 52.037 -0.086 0.000 0.623 15 A CB -0.460 18.519 19.000 -0.035 0.000 0.818 15 A HN -0.083 8.016 8.150 -0.069 0.009 0.443 16 G N -2.631 106.112 108.800 -0.094 0.000 2.448 16 G HA2 -0.189 3.798 3.960 0.045 0.000 0.219 16 G HA3 -0.189 3.826 3.960 0.092 0.000 0.219 16 G C 1.359 176.171 174.900 -0.147 0.000 1.127 16 G CA 1.170 46.254 45.100 -0.027 0.000 0.766 16 G HN -0.236 7.926 8.290 -0.081 0.079 0.552 17 I N 1.113 121.429 120.570 -0.423 0.000 2.480 17 I HA -0.200 3.842 4.170 -0.213 0.000 0.251 17 I C 0.044 176.132 176.117 -0.049 0.000 1.124 17 I CA 1.856 62.939 61.300 -0.362 0.000 1.444 17 I CB 0.370 37.973 38.000 -0.662 0.000 1.098 17 I HN -1.041 6.754 8.210 -0.449 0.146 0.428 18 T N 2.127 116.588 114.554 -0.156 0.000 2.905 18 T HA -0.387 4.092 4.350 -0.141 -0.214 0.299 18 T C 0.138 174.750 174.700 -0.146 0.000 1.024 18 T CA 3.211 65.230 62.100 -0.135 0.000 1.151 18 T CB -0.034 68.753 68.868 -0.135 0.000 0.987 18 T HN -0.480 7.629 8.240 -0.218 0.000 0.535 19 G N 6.086 114.766 108.800 -0.201 0.000 2.325 19 G HA2 -0.097 3.698 3.960 -0.275 0.000 0.285 19 G HA3 -0.097 3.613 3.960 -0.417 0.000 0.285 19 G C -2.925 171.680 174.900 -0.491 0.000 1.303 19 G CA -0.083 44.812 45.100 -0.340 0.000 0.970 19 G HN 0.292 8.471 8.290 -0.185 0.000 0.490 20 T N 2.208 116.376 114.554 -0.643 0.000 2.829 20 T HA 0.724 4.866 4.350 -0.655 -0.185 0.282 20 T C -0.724 173.329 174.700 -1.078 0.000 0.990 20 T CA 0.178 61.833 62.100 -0.742 0.000 1.028 20 T CB 1.482 70.020 68.868 -0.550 0.000 0.951 20 T HN 0.085 7.971 8.240 -0.591 0.000 0.460 21 W N 4.616 125.357 121.300 -0.933 0.000 2.844 21 W HA 0.528 5.144 4.660 -0.362 -0.173 0.340 21 W C -1.690 174.528 176.519 -0.502 0.000 1.093 21 W CA -1.456 55.516 57.345 -0.620 0.000 1.212 21 W CB 3.883 32.895 29.460 -0.745 0.000 1.422 21 W HN 0.938 8.639 8.180 -0.799 0.000 0.515 22 Y N -1.369 119.168 120.300 0.395 0.000 2.499 22 Y HA 0.850 5.765 4.550 0.291 -0.190 0.347 22 Y C -0.768 175.343 175.900 0.352 0.000 0.987 22 Y CA -2.025 56.263 58.100 0.313 0.000 1.044 22 Y CB 3.254 41.792 38.460 0.129 0.000 1.245 22 Y HN 0.926 9.518 8.280 0.521 0.000 0.461 23 N N -0.049 118.847 118.700 0.327 0.000 2.592 23 N HA 0.646 5.512 4.740 -0.100 -0.186 0.292 23 N C 1.695 177.236 175.510 0.052 0.000 1.260 23 N CA -2.777 50.243 53.050 -0.049 0.000 0.910 23 N CB 1.899 40.119 38.487 -0.444 0.000 1.257 23 N HN -0.107 8.481 8.380 0.346 0.000 0.569 24 Q N -2.066 117.737 119.800 0.005 0.000 2.515 24 Q HA -0.012 4.360 4.340 0.054 0.000 0.212 24 Q C 0.378 176.408 176.000 0.050 0.000 0.970 24 Q CA 1.795 57.623 55.803 0.042 0.000 0.941 24 Q CB -0.601 28.163 28.738 0.043 0.000 0.998 24 Q HN 0.449 8.682 8.270 -0.061 0.000 0.518 25 L N -3.553 117.706 121.223 0.061 0.000 2.638 25 L HA 0.216 4.588 4.340 0.054 0.000 0.232 25 L C 0.730 177.647 176.870 0.078 0.000 1.099 25 L CA 0.093 54.974 54.840 0.068 0.000 0.883 25 L CB 1.077 43.183 42.059 0.078 0.000 1.136 25 L HN -0.250 8.258 8.230 0.061 -0.241 0.492 26 G N -1.981 106.878 108.800 0.099 0.000 2.148 26 G HA2 -0.296 3.726 3.960 0.103 0.000 0.157 26 G HA3 -0.296 3.712 3.960 0.081 0.000 0.157 26 G C -0.868 174.113 174.900 0.135 0.000 1.012 26 G CA -0.332 44.831 45.100 0.105 0.000 0.677 26 G HN -0.377 8.150 8.290 0.109 -0.172 0.506 27 S N 1.628 117.423 115.700 0.158 0.000 2.616 27 S HA 0.508 5.131 4.470 0.081 -0.104 0.277 27 S C -1.082 173.568 174.600 0.083 0.000 1.234 27 S CA 0.428 58.688 58.200 0.101 0.000 1.028 27 S CB 2.278 65.575 63.200 0.161 0.000 0.988 27 S HN -0.054 8.719 8.310 0.168 -0.362 0.522 28 T N 3.568 118.067 114.554 -0.092 0.000 2.876 28 T HA 0.918 5.386 4.350 -0.118 -0.188 0.289 28 T C -1.829 172.703 174.700 -0.281 0.000 1.014 28 T CA -0.467 61.549 62.100 -0.140 0.000 0.986 28 T CB 2.875 71.700 68.868 -0.071 0.000 1.021 28 T HN 0.403 8.537 8.240 -0.177 0.000 0.458 29 F N 5.868 125.559 119.950 -0.431 0.000 2.561 29 F HA 0.904 5.356 4.527 -0.413 -0.172 0.313 29 F C -3.282 172.324 175.800 -0.323 0.000 1.126 29 F CA -2.826 54.908 58.000 -0.444 0.000 0.918 29 F CB 3.774 42.415 39.000 -0.598 0.000 1.199 29 F HN 0.745 8.856 8.300 -0.314 0.000 0.444 30 I N 6.280 126.750 120.570 -0.166 0.000 2.439 30 I HA 0.708 4.832 4.170 -0.427 -0.211 0.285 30 I C -1.684 174.341 176.117 -0.154 0.000 1.021 30 I CA -1.335 59.804 61.300 -0.267 0.000 1.091 30 I CB 2.258 40.149 38.000 -0.181 0.000 1.242 30 I HN 0.775 8.997 8.210 0.021 0.000 0.439 31 V N 4.387 124.171 119.914 -0.217 0.000 2.914 31 V HA 0.933 5.193 4.120 -0.076 -0.186 0.314 31 V C -1.161 174.856 176.094 -0.128 0.000 1.084 31 V CA -2.961 59.268 62.300 -0.119 0.000 0.963 31 V CB 2.977 34.748 31.823 -0.086 0.000 1.025 31 V HN 0.664 8.659 8.190 -0.324 0.000 0.432 32 T N 5.402 119.898 114.554 -0.098 0.000 2.812 32 T HA 0.285 4.570 4.350 -0.108 0.000 0.282 32 T C -1.821 172.825 174.700 -0.090 0.000 0.990 32 T CA -0.249 61.797 62.100 -0.091 0.000 0.960 32 T CB 1.989 70.821 68.868 -0.060 0.000 0.948 32 T HN 0.423 8.616 8.240 -0.077 0.000 0.438 33 A N 7.968 130.706 122.820 -0.137 0.000 2.249 33 A HA 0.802 5.237 4.320 -0.102 -0.176 0.314 33 A C -0.739 176.845 177.584 -0.001 0.000 1.290 33 A CA -1.994 49.936 52.037 -0.178 0.000 0.893 33 A CB 1.194 19.863 19.000 -0.551 0.000 1.165 33 A HN 0.435 8.496 8.150 -0.148 0.000 0.530 34 G N 1.523 110.403 108.800 0.133 0.000 2.448 34 G HA2 0.165 4.163 3.960 0.065 0.000 0.285 34 G HA3 0.165 4.182 3.960 0.096 0.000 0.285 34 G C 0.232 175.246 174.900 0.191 0.000 1.176 34 G CA -1.267 43.906 45.100 0.121 0.000 0.852 34 G HN 0.535 8.808 8.290 0.173 0.121 0.530 35 A N 2.835 125.721 122.820 0.110 0.000 1.940 35 A HA -0.262 4.320 4.320 0.115 -0.192 0.221 35 A C 0.321 177.937 177.584 0.054 0.000 1.190 35 A CA 2.550 54.641 52.037 0.090 0.000 0.647 35 A CB -0.526 18.501 19.000 0.044 0.000 0.821 35 A HN 0.574 8.768 8.150 0.072 0.000 0.457 36 D N -2.486 117.927 120.400 0.021 0.000 2.894 36 D HA -0.004 4.595 4.640 -0.068 0.000 0.248 36 D C -0.113 176.112 176.300 -0.124 0.000 1.291 36 D CA -0.182 53.790 54.000 -0.048 0.000 0.840 36 D CB -0.796 39.988 40.800 -0.027 0.000 1.044 36 D HN -0.255 8.124 8.370 0.038 0.014 0.484 37 G N -1.489 107.153 108.800 -0.264 0.000 2.159 37 G HA2 -0.470 2.598 3.960 -1.604 0.000 0.256 37 G HA3 -0.470 3.227 3.960 -0.437 0.000 0.256 37 G C -1.601 173.264 174.900 -0.059 0.000 0.977 37 G CA 0.401 45.175 45.100 -0.544 0.000 0.652 37 G HN -0.319 7.776 8.290 -0.192 0.080 0.531 38 A N -0.563 122.334 122.820 0.128 0.000 2.316 38 A HA 0.341 4.728 4.320 0.111 0.000 0.284 38 A C -1.718 175.996 177.584 0.218 0.000 1.115 38 A CA -0.993 51.133 52.037 0.148 0.000 0.812 38 A CB 2.057 21.106 19.000 0.082 0.000 1.064 38 A HN -0.772 7.404 8.150 0.120 0.045 0.489 39 L N 3.158 124.467 121.223 0.144 0.000 2.372 39 L HA 0.831 5.371 4.340 0.038 -0.177 0.274 39 L C -1.205 175.682 176.870 0.030 0.000 0.988 39 L CA -0.990 53.897 54.840 0.077 0.000 0.833 39 L CB 3.821 45.942 42.059 0.103 0.000 1.236 39 L HN -0.012 8.289 8.230 0.119 0.000 0.410 40 T N 1.485 116.036 114.554 -0.004 0.000 2.912 40 T HA 0.774 5.263 4.350 -0.006 -0.143 0.299 40 T C -0.816 173.865 174.700 -0.032 0.000 1.052 40 T CA -2.248 59.846 62.100 -0.011 0.000 0.996 40 T CB 3.077 71.945 68.868 0.000 0.000 1.070 40 T HN 0.473 8.703 8.240 -0.017 0.000 0.465 41 G N 1.116 109.899 108.800 -0.029 0.000 2.356 41 G HA2 0.441 4.383 3.960 -0.029 0.000 0.281 41 G HA3 0.441 4.568 3.960 -0.029 -0.185 0.281 41 G C -2.784 172.114 174.900 -0.003 0.000 1.246 41 G CA 1.042 46.127 45.100 -0.026 0.000 0.889 41 G HN -0.224 8.054 8.290 -0.021 0.000 0.486 42 T N -2.353 112.212 114.554 0.019 0.000 2.903 42 T HA 0.882 5.436 4.350 0.079 -0.157 0.299 42 T C -2.481 172.294 174.700 0.125 0.000 1.093 42 T CA -2.060 60.079 62.100 0.066 0.000 1.002 42 T CB 3.565 72.457 68.868 0.041 0.000 1.127 42 T HN 0.279 8.525 8.240 0.011 0.000 0.488 43 Y N 2.806 123.145 120.300 0.065 0.000 2.409 43 Y HA 0.567 5.319 4.550 0.111 -0.134 0.339 43 Y C -2.364 173.681 175.900 0.241 0.000 1.033 43 Y CA -1.832 56.343 58.100 0.125 0.000 1.094 43 Y CB 3.983 42.493 38.460 0.083 0.000 1.210 43 Y HN 0.714 9.167 8.280 0.288 0.000 0.456 44 E N 6.405 126.646 120.200 0.069 0.000 2.234 44 E HA 0.747 5.544 4.350 0.314 -0.258 0.266 44 E C -0.652 176.065 176.600 0.195 0.000 0.877 44 E CA -2.197 54.310 56.400 0.179 0.000 0.758 44 E CB 4.029 33.759 29.700 0.050 0.000 1.170 44 E HN 1.003 9.153 8.360 -0.350 0.000 0.415 45 S N 3.738 119.644 115.700 0.343 0.000 2.645 45 S HA 0.140 4.805 4.470 0.326 0.000 0.266 45 S C 0.334 175.029 174.600 0.158 0.000 1.258 45 S CA -0.842 57.532 58.200 0.290 0.000 0.990 45 S CB 0.651 64.027 63.200 0.293 0.000 0.967 45 S HN 0.413 8.846 8.310 0.392 0.112 0.556 46 A N 0.488 123.382 122.820 0.124 0.000 2.455 46 A HA -0.147 4.337 4.320 0.084 -0.113 0.244 46 A C 0.928 178.552 177.584 0.067 0.000 1.099 46 A CA 1.238 53.326 52.037 0.084 0.000 0.786 46 A CB 0.269 19.309 19.000 0.066 0.000 1.051 46 A HN 0.279 8.505 8.150 0.128 0.000 0.508 47 V N -3.833 116.110 119.914 0.048 0.000 0.476 47 V HA -0.372 3.764 4.120 0.025 0.000 0.092 47 V C 0.521 176.632 176.094 0.028 0.000 2.421 47 V CA 1.472 63.791 62.300 0.032 0.000 3.656 47 V CB -0.572 31.268 31.823 0.028 0.000 0.936 47 V HN 0.462 8.681 8.190 0.048 0.000 0.982 48 G N 1.246 110.067 108.800 0.035 0.000 2.171 48 G HA2 -0.378 3.603 3.960 0.036 0.000 0.238 48 G HA3 -0.378 3.599 3.960 0.028 0.000 0.238 48 G C -0.939 173.961 174.900 -0.000 0.000 1.039 48 G CA -0.193 44.923 45.100 0.026 0.000 0.759 48 G HN -0.135 8.105 8.290 0.048 0.078 0.501 49 N N -1.212 117.480 118.700 -0.014 0.000 2.530 49 N HA 0.020 4.738 4.740 -0.036 0.000 0.277 49 N C 0.977 176.432 175.510 -0.092 0.000 1.168 49 N CA -1.040 51.982 53.050 -0.048 0.000 0.979 49 N CB 0.666 39.120 38.487 -0.055 0.000 1.141 49 N HN -0.598 7.782 8.380 -0.000 0.000 0.459 50 A N 0.987 123.746 122.820 -0.101 0.000 1.888 50 A HA -0.377 3.893 4.320 -0.083 0.000 0.249 50 A C 0.441 177.902 177.584 -0.204 0.000 2.120 50 A CA 2.715 54.674 52.037 -0.130 0.000 0.772 50 A CB -0.330 18.591 19.000 -0.131 0.000 0.844 50 A HN 0.551 8.657 8.150 -0.073 0.000 0.525 51 E N -1.415 118.563 120.200 -0.369 0.000 2.873 51 E HA 0.156 4.373 4.350 -0.279 -0.034 0.232 51 E C -1.119 175.256 176.600 -0.375 0.000 1.123 51 E CA -0.497 55.634 56.400 -0.449 0.000 0.809 51 E CB 0.587 29.820 29.700 -0.778 0.000 1.366 51 E HN -0.210 7.901 8.360 -0.411 0.003 0.400 52 S N 0.135 115.731 115.700 -0.172 0.000 2.754 52 S HA 0.261 4.776 4.470 0.074 0.000 0.247 52 S C -0.722 173.928 174.600 0.084 0.000 1.031 52 S CA -0.163 58.060 58.200 0.037 0.000 1.014 52 S CB 1.001 64.257 63.200 0.092 0.000 0.918 52 S HN -0.240 7.994 8.310 -0.128 0.000 0.519 53 R N 1.144 121.544 120.500 -0.167 0.000 2.346 53 R HA 0.761 5.442 4.340 0.162 -0.243 0.311 53 R C -1.279 174.826 176.300 -0.325 0.000 0.983 53 R CA -0.779 55.279 56.100 -0.069 0.000 0.880 53 R CB 2.086 32.349 30.300 -0.061 0.000 1.100 53 R HN -0.568 7.411 8.270 -0.273 0.128 0.453 54 Y N 0.936 121.323 120.300 0.146 0.000 2.545 54 Y HA 0.212 4.805 4.550 0.072 0.000 0.348 54 Y C -0.861 175.054 175.900 0.025 0.000 1.002 54 Y CA -1.393 56.752 58.100 0.075 0.000 1.039 54 Y CB 3.287 41.760 38.460 0.021 0.000 1.271 54 Y HN 0.598 9.109 8.280 0.385 0.000 0.467 55 V N 1.223 121.214 119.914 0.128 0.000 2.732 55 V HA 0.052 4.326 4.120 0.051 -0.123 0.297 55 V C -0.627 175.482 176.094 0.025 0.000 1.060 55 V CA 1.077 63.410 62.300 0.055 0.000 1.038 55 V CB 0.506 32.348 31.823 0.032 0.000 1.003 55 V HN 0.767 9.039 8.190 0.137 0.000 0.481 56 L N 0.817 122.046 121.223 0.009 0.000 2.388 56 L HA 1.091 5.636 4.340 0.012 -0.198 0.264 56 L C -1.508 175.365 176.870 0.005 0.000 0.998 56 L CA -1.557 53.282 54.840 -0.002 0.000 0.817 56 L CB 4.211 46.218 42.059 -0.087 0.000 1.338 56 L HN 0.133 8.368 8.230 0.008 0.000 0.414 57 T N 1.594 116.178 114.554 0.049 0.000 2.933 57 T HA 0.738 5.268 4.350 0.035 -0.158 0.305 57 T C -1.379 173.392 174.700 0.118 0.000 1.092 57 T CA -1.522 60.611 62.100 0.055 0.000 1.008 57 T CB 2.337 71.227 68.868 0.036 0.000 1.102 57 T HN -0.064 8.229 8.240 0.088 0.000 0.469 58 G N 3.063 111.936 108.800 0.121 0.000 2.561 58 G HA2 0.656 4.708 3.960 0.154 0.000 0.310 58 G HA3 0.656 4.913 3.960 0.260 -0.141 0.310 58 G C -3.037 171.954 174.900 0.152 0.000 1.292 58 G CA 0.662 45.866 45.100 0.174 0.000 0.811 58 G HN 0.474 8.818 8.290 0.090 0.000 0.482 59 R N -3.805 116.802 120.500 0.178 0.000 2.739 59 R HA 1.139 5.790 4.340 0.185 -0.201 0.271 59 R C -1.727 174.715 176.300 0.236 0.000 1.010 59 R CA -2.188 54.010 56.100 0.163 0.000 0.897 59 R CB 4.974 35.312 30.300 0.064 0.000 1.236 59 R HN 0.194 8.584 8.270 0.200 0.000 0.466 60 Y N -2.822 117.504 120.300 0.045 0.000 2.677 60 Y HA 0.674 5.396 4.550 0.064 -0.134 0.334 60 Y C -1.992 173.929 175.900 0.036 0.000 1.154 60 Y CA -2.656 55.472 58.100 0.046 0.000 1.070 60 Y CB 2.325 40.801 38.460 0.026 0.000 1.294 60 Y HN 0.361 8.644 8.280 0.004 0.000 0.475 61 D N 0.633 121.033 120.400 -0.000 0.000 2.339 61 D HA 0.181 4.715 4.640 -0.177 0.000 0.241 61 D C 0.378 176.588 176.300 -0.150 0.000 1.183 61 D CA -1.466 52.476 54.000 -0.098 0.000 0.859 61 D CB 0.754 41.579 40.800 0.041 0.000 1.067 61 D HN 0.005 8.517 8.370 0.235 0.000 0.484 62 S N 4.305 119.778 115.700 -0.378 0.000 2.489 62 S HA -0.178 4.331 4.470 0.066 0.000 0.228 62 S C -0.563 174.045 174.600 0.014 0.000 0.995 62 S CA 1.512 59.598 58.200 -0.190 0.000 0.934 62 S CB 0.389 63.408 63.200 -0.303 0.000 0.771 62 S HN 0.173 8.238 8.310 -0.407 0.000 0.522 63 A N 1.771 124.586 122.820 -0.007 0.000 3.204 63 A HA 0.388 4.736 4.320 0.046 0.000 0.327 63 A C -3.241 174.367 177.584 0.040 0.000 0.998 63 A CA -2.551 49.501 52.037 0.025 0.000 0.891 63 A CB -0.082 18.920 19.000 0.003 0.000 1.061 63 A HN -0.851 7.382 8.150 -0.049 -0.113 0.478 64 P HA 0.063 4.742 4.420 0.068 -0.218 0.272 64 P C -1.199 176.138 177.300 0.061 0.000 1.248 64 P CA -0.426 62.721 63.100 0.079 0.000 0.799 64 P CB 1.274 33.047 31.700 0.121 0.000 0.997 65 A N -1.889 120.965 122.820 0.056 0.000 2.332 65 A HA -0.062 4.281 4.320 0.038 0.000 0.258 65 A C 0.780 178.392 177.584 0.047 0.000 1.087 65 A CA 0.112 52.175 52.037 0.044 0.000 0.802 65 A CB 0.973 19.995 19.000 0.038 0.000 1.042 65 A HN 0.048 8.235 8.150 0.061 0.000 0.489 66 T N -1.031 113.547 114.554 0.039 0.000 3.419 66 T HA 0.035 4.443 4.350 0.044 -0.031 0.228 66 T C -1.394 173.326 174.700 0.033 0.000 0.939 66 T CA -1.010 61.113 62.100 0.038 0.000 0.992 66 T CB -1.525 67.362 68.868 0.032 0.000 1.186 66 T HN 0.447 8.803 8.240 0.033 -0.096 0.612 67 D N -1.203 119.218 120.400 0.035 0.000 2.614 67 D HA 0.012 4.668 4.640 0.026 0.000 0.264 67 D C -0.740 175.579 176.300 0.032 0.000 1.092 67 D CA -1.984 52.034 54.000 0.029 0.000 1.071 67 D CB 2.222 43.038 40.800 0.026 0.000 1.443 67 D HN -0.679 7.732 8.370 0.040 -0.017 0.528 68 G N -2.320 106.496 108.800 0.027 0.000 3.284 68 G HA2 -0.096 3.882 3.960 0.029 0.000 0.251 68 G HA3 -0.096 3.877 3.960 0.021 0.000 0.251 68 G C -0.677 174.239 174.900 0.027 0.000 0.913 68 G CA 0.358 45.473 45.100 0.026 0.000 1.947 68 G HN 0.163 8.467 8.290 0.023 0.000 0.635 69 S N 1.309 117.031 115.700 0.036 0.000 2.767 69 S HA 0.116 4.604 4.470 0.031 0.000 0.300 69 S C -0.252 174.377 174.600 0.048 0.000 1.123 69 S CA -1.024 57.199 58.200 0.039 0.000 0.992 69 S CB 2.968 66.194 63.200 0.043 0.000 1.138 69 S HN -0.342 7.995 8.310 0.041 -0.003 0.550 70 G N -0.824 108.009 108.800 0.054 0.000 2.511 70 G HA2 0.329 4.372 3.960 0.050 0.000 0.316 70 G HA3 0.329 4.467 3.960 0.057 -0.145 0.316 70 G C -1.114 173.861 174.900 0.125 0.000 1.210 70 G CA -0.781 44.360 45.100 0.069 0.000 0.969 70 G HN -0.288 8.111 8.290 0.050 -0.079 0.492 71 T N 3.686 118.359 114.554 0.198 0.000 2.743 71 T HA 0.104 4.565 4.350 0.185 0.000 0.292 71 T C -0.879 173.947 174.700 0.210 0.000 0.972 71 T CA 0.290 62.528 62.100 0.231 0.000 0.967 71 T CB 0.850 69.915 68.868 0.328 0.000 0.926 71 T HN 0.196 8.574 8.240 0.229 0.000 0.459 72 A N 8.198 131.117 122.820 0.164 0.000 2.440 72 A HA 0.500 5.087 4.320 0.141 -0.182 0.251 72 A C -1.387 176.303 177.584 0.177 0.000 1.089 72 A CA -0.236 51.888 52.037 0.144 0.000 0.779 72 A CB 0.919 19.978 19.000 0.098 0.000 1.022 72 A HN 0.683 8.919 8.150 0.143 0.000 0.492 73 L N -3.931 117.400 121.223 0.180 0.000 2.765 73 L HA 1.027 5.610 4.340 0.208 -0.118 0.263 73 L C -1.162 175.820 176.870 0.186 0.000 1.068 73 L CA -1.070 53.900 54.840 0.218 0.000 0.903 73 L CB 3.068 45.291 42.059 0.274 0.000 1.512 73 L HN 0.436 8.762 8.230 0.159 0.000 0.404 74 G N -3.992 104.943 108.800 0.224 0.000 2.632 74 G HA2 0.707 4.842 3.960 0.018 0.000 0.292 74 G HA3 0.707 4.705 3.960 0.063 0.000 0.292 74 G C -3.258 171.805 174.900 0.272 0.000 1.465 74 G CA 0.808 45.987 45.100 0.132 0.000 0.824 74 G HN -0.092 8.359 8.290 0.268 0.000 0.509 75 W N -3.117 118.215 121.300 0.053 0.000 3.066 75 W HA 0.741 5.506 4.660 -0.001 -0.106 0.330 75 W C -3.083 173.484 176.519 0.079 0.000 1.253 75 W CA -1.658 55.690 57.345 0.004 0.000 1.187 75 W CB 2.190 31.564 29.460 -0.143 0.000 1.434 75 W HN 0.413 8.461 8.180 -0.219 0.000 0.572 76 T N 1.595 116.280 114.554 0.218 0.000 2.893 76 T HA 0.868 5.432 4.350 0.029 -0.196 0.291 76 T C -1.401 173.340 174.700 0.068 0.000 1.028 76 T CA -0.506 61.643 62.100 0.082 0.000 0.995 76 T CB 2.897 71.765 68.868 -0.001 0.000 1.051 76 T HN 0.688 9.081 8.240 0.255 0.000 0.470 77 V N 4.381 124.228 119.914 -0.113 0.000 2.623 77 V HA 0.370 4.480 4.120 -0.261 -0.146 0.304 77 V C -2.311 173.363 176.094 -0.699 0.000 1.054 77 V CA -1.320 60.728 62.300 -0.419 0.000 0.882 77 V CB 3.851 35.215 31.823 -0.765 0.000 1.002 77 V HN 0.638 8.732 8.190 -0.160 0.000 0.424 78 A N 5.133 127.645 122.820 -0.513 0.000 2.276 78 A HA 0.547 4.754 4.320 -0.375 -0.112 0.316 78 A C -0.172 177.152 177.584 -0.432 0.000 1.229 78 A CA -1.694 50.121 52.037 -0.369 0.000 0.851 78 A CB 1.682 20.599 19.000 -0.139 0.000 1.165 78 A HN 0.668 8.612 8.150 -0.344 0.000 0.513 79 W N 5.786 127.017 121.300 -0.114 0.000 1.395 79 W HA 0.017 4.313 4.660 -0.607 0.000 0.451 79 W C -1.795 174.781 176.519 0.095 0.000 0.619 79 W CA -0.763 56.442 57.345 -0.233 0.000 2.212 79 W CB -0.707 28.572 29.460 -0.302 0.000 1.537 79 W HN 0.780 8.862 8.180 -0.164 0.000 0.275 80 K N 1.145 121.785 120.400 0.400 0.000 2.513 80 K HA 0.735 5.487 4.320 0.348 -0.223 0.251 80 K C -1.816 174.974 176.600 0.317 0.000 0.939 80 K CA -1.088 55.393 56.287 0.322 0.000 0.793 80 K CB 3.127 35.696 32.500 0.115 0.000 1.241 80 K HN -0.287 8.093 8.250 0.346 0.077 0.431 81 N N 5.039 123.873 118.700 0.223 0.000 3.522 81 N HA 0.418 5.197 4.740 0.065 0.000 0.328 81 N C -0.825 174.744 175.510 0.098 0.000 1.623 81 N CA -0.543 52.552 53.050 0.076 0.000 0.812 81 N CB 1.261 39.641 38.487 -0.178 0.000 2.008 81 N HN 0.692 9.221 8.380 0.249 0.000 0.601 82 N N -1.424 117.347 118.700 0.117 0.000 2.370 82 N HA 0.101 4.798 4.740 -0.071 0.000 0.198 82 N C -0.508 174.832 175.510 -0.283 0.000 1.156 82 N CA 0.983 53.984 53.050 -0.080 0.000 0.839 82 N CB 0.273 38.625 38.487 -0.225 0.000 0.989 82 N HN -0.044 8.703 8.380 0.178 -0.260 0.468 83 Y N -2.862 117.442 120.300 0.006 0.000 2.437 83 Y HA 0.123 4.689 4.550 0.027 0.000 0.266 83 Y C -0.980 174.961 175.900 0.069 0.000 1.077 83 Y CA 0.388 58.505 58.100 0.027 0.000 1.235 83 Y CB 2.001 40.468 38.460 0.012 0.000 1.303 83 Y HN -0.072 8.680 8.280 0.328 -0.275 0.536 84 R N -0.151 120.510 120.500 0.268 0.000 2.698 84 R HA 0.246 4.715 4.340 0.214 0.000 0.275 84 R C -2.672 173.779 176.300 0.252 0.000 1.001 84 R CA -1.355 54.903 56.100 0.264 0.000 0.896 84 R CB 3.714 34.223 30.300 0.349 0.000 1.218 84 R HN -0.276 8.398 8.270 0.265 -0.246 0.462 85 N N 4.239 123.067 118.700 0.213 0.000 2.675 85 N HA 0.248 5.179 4.740 0.136 -0.109 0.254 85 N C -0.937 174.720 175.510 0.245 0.000 1.224 85 N CA -0.068 53.058 53.050 0.127 0.000 0.777 85 N CB 0.788 39.256 38.487 -0.031 0.000 1.256 85 N HN 0.508 9.017 8.380 0.216 0.000 0.531 86 A N 3.591 126.570 122.820 0.265 0.000 2.259 86 A HA 0.033 4.520 4.320 0.278 0.000 0.208 86 A C 0.191 177.979 177.584 0.339 0.000 1.201 86 A CA 0.086 52.287 52.037 0.273 0.000 0.824 86 A CB -0.075 19.001 19.000 0.125 0.000 0.838 86 A HN 0.992 9.305 8.150 0.271 0.000 0.485 87 H N -1.657 117.466 119.070 0.087 0.000 2.527 87 H HA -0.391 4.201 4.556 0.059 0.000 0.321 87 H C -1.775 173.585 175.328 0.054 0.000 1.092 87 H CA 1.075 57.157 56.048 0.057 0.000 1.118 87 H CB -3.179 26.600 29.762 0.029 0.000 1.536 87 H HN -0.303 8.188 8.280 0.067 -0.171 0.407 88 S N -5.506 110.303 115.700 0.182 0.000 2.611 88 S HA 0.725 5.363 4.470 0.104 -0.106 0.268 88 S C -2.468 172.259 174.600 0.213 0.000 1.156 88 S CA -0.728 57.576 58.200 0.173 0.000 0.817 88 S CB 3.871 67.160 63.200 0.149 0.000 1.122 88 S HN -0.404 8.017 8.310 0.185 0.000 0.466 89 A N -1.756 121.144 122.820 0.133 0.000 2.549 89 A HA 0.786 5.100 4.320 -0.241 -0.139 0.297 89 A C -2.339 175.220 177.584 -0.042 0.000 1.061 89 A CA -0.318 51.689 52.037 -0.050 0.000 0.690 89 A CB 3.856 22.800 19.000 -0.093 0.000 1.287 89 A HN 0.650 8.860 8.150 0.099 0.000 0.402 90 T N 3.249 117.690 114.554 -0.188 0.000 2.876 90 T HA 1.080 5.500 4.350 -0.241 -0.215 0.289 90 T C -0.790 173.649 174.700 -0.436 0.000 1.014 90 T CA -1.152 60.744 62.100 -0.341 0.000 0.986 90 T CB 2.821 71.341 68.868 -0.581 0.000 1.021 90 T HN 0.849 8.862 8.240 -0.379 0.000 0.458 91 T N 1.429 115.729 114.554 -0.423 0.000 2.863 91 T HA 0.858 5.293 4.350 -0.196 -0.202 0.285 91 T C -1.455 173.012 174.700 -0.388 0.000 1.009 91 T CA -2.093 59.836 62.100 -0.286 0.000 0.989 91 T CB 2.816 71.593 68.868 -0.152 0.000 1.004 91 T HN 0.580 8.596 8.240 -0.373 0.000 0.455 92 W N 3.771 124.720 121.300 -0.585 0.000 2.587 92 W HA 0.481 5.154 4.660 -0.240 -0.157 0.324 92 W C -1.470 174.735 176.519 -0.524 0.000 1.040 92 W CA -1.334 55.634 57.345 -0.630 0.000 1.222 92 W CB 3.754 32.390 29.460 -1.373 0.000 1.381 92 W HN 0.840 8.835 8.180 -0.308 0.000 0.483 93 S N 2.166 117.827 115.700 -0.064 0.000 2.502 93 S HA 0.798 5.389 4.470 -0.028 -0.138 0.304 93 S C -1.075 173.552 174.600 0.044 0.000 1.097 93 S CA -1.379 56.808 58.200 -0.021 0.000 1.045 93 S CB 1.649 64.839 63.200 -0.017 0.000 1.019 93 S HN 0.582 8.893 8.310 0.002 0.000 0.481 94 G N 3.440 112.287 108.800 0.078 0.000 2.435 94 G HA2 0.514 4.535 3.960 0.102 0.000 0.296 94 G HA3 0.514 4.750 3.960 0.158 -0.181 0.296 94 G C -3.553 171.430 174.900 0.139 0.000 1.240 94 G CA 0.912 46.085 45.100 0.121 0.000 0.872 94 G HN 0.524 8.862 8.290 0.081 0.000 0.480 95 Q N -3.020 116.870 119.800 0.150 0.000 2.416 95 Q HA 0.880 5.517 4.340 0.179 -0.189 0.281 95 Q C -2.468 173.631 176.000 0.165 0.000 1.067 95 Q CA -2.251 53.645 55.803 0.155 0.000 0.809 95 Q CB 4.529 33.335 28.738 0.113 0.000 1.418 95 Q HN 0.130 8.491 8.270 0.153 0.000 0.411 96 Y N 3.209 123.540 120.300 0.053 0.000 2.320 96 Y HA 0.567 5.261 4.550 -0.025 -0.159 0.334 96 Y C -2.340 173.595 175.900 0.057 0.000 1.055 96 Y CA -1.485 56.622 58.100 0.011 0.000 1.143 96 Y CB 2.325 40.768 38.460 -0.028 0.000 1.193 96 Y HN 0.616 8.955 8.280 0.282 0.110 0.477 97 V N 7.477 126.978 119.914 -0.688 0.000 2.483 97 V HA 0.270 4.160 4.120 -0.384 0.000 0.297 97 V C -1.421 174.185 176.094 -0.814 0.000 1.027 97 V CA -1.228 60.766 62.300 -0.510 0.000 0.855 97 V CB 3.139 34.851 31.823 -0.184 0.000 0.995 97 V HN 0.572 8.396 8.190 -0.609 0.000 0.424 98 G N 4.468 112.878 108.800 -0.650 0.000 2.642 98 G HA2 0.516 4.321 3.960 -0.259 0.000 0.291 98 G HA3 0.516 4.459 3.960 -0.029 0.000 0.291 98 G C -0.507 174.359 174.900 -0.056 0.000 1.345 98 G CA -1.575 43.361 45.100 -0.273 0.000 1.043 98 G HN 0.328 8.366 8.290 -0.419 0.000 0.528 99 G N -2.397 106.424 108.800 0.034 0.000 2.373 99 G HA2 -0.253 3.729 3.960 0.037 0.000 0.634 99 G HA3 -0.253 3.715 3.960 0.013 0.000 0.634 99 G C -0.320 174.601 174.900 0.035 0.000 1.267 99 G CA -0.799 44.318 45.100 0.029 0.000 1.008 99 G HN -0.187 8.155 8.290 0.088 0.000 0.497 100 A N -0.142 122.693 122.820 0.025 0.000 1.909 100 A HA -0.202 4.129 4.320 0.018 0.000 0.221 100 A C 0.339 177.940 177.584 0.028 0.000 1.223 100 A CA 2.187 54.237 52.037 0.022 0.000 0.658 100 A CB 0.009 19.020 19.000 0.017 0.000 0.831 100 A HN 0.229 8.392 8.150 0.022 0.000 0.462 101 E N -1.405 118.816 120.200 0.035 0.000 2.683 101 E HA 0.125 4.510 4.350 0.058 0.000 0.224 101 E C -2.162 174.483 176.600 0.074 0.000 1.046 101 E CA -1.721 54.712 56.400 0.055 0.000 0.811 101 E CB -0.299 29.432 29.700 0.050 0.000 1.296 101 E HN -0.114 8.264 8.360 0.029 -0.001 0.421 102 A N 5.086 127.970 122.820 0.107 0.000 2.371 102 A HA 0.466 4.921 4.320 0.003 -0.133 0.257 102 A C -0.890 176.878 177.584 0.307 0.000 1.089 102 A CA -0.050 52.073 52.037 0.144 0.000 0.794 102 A CB 1.259 20.429 19.000 0.282 0.000 1.029 102 A HN 0.328 8.536 8.150 0.097 0.000 0.488 103 R N -2.164 118.466 120.500 0.217 0.000 2.716 103 R HA 0.704 5.534 4.340 0.603 -0.129 0.271 103 R C -2.619 173.740 176.300 0.097 0.000 1.028 103 R CA -2.014 54.267 56.100 0.301 0.000 0.883 103 R CB 2.492 32.925 30.300 0.221 0.000 1.250 103 R HN 0.777 8.932 8.270 -0.021 0.103 0.465 104 I N 0.313 120.962 120.570 0.131 0.000 2.410 104 I HA 0.588 5.038 4.170 0.098 -0.221 0.286 104 I C -1.610 174.693 176.117 0.310 0.000 1.009 104 I CA -1.186 60.192 61.300 0.130 0.000 1.111 104 I CB 2.242 40.230 38.000 -0.021 0.000 1.262 104 I HN 0.476 8.853 8.210 0.277 0.000 0.443 105 N N 9.429 128.270 118.700 0.235 0.000 2.419 105 N HA 0.514 5.416 4.740 0.270 0.000 0.277 105 N C -0.918 174.748 175.510 0.260 0.000 1.006 105 N CA 0.085 53.276 53.050 0.235 0.000 0.923 105 N CB 2.452 41.027 38.487 0.147 0.000 1.140 105 N HN 0.452 8.937 8.380 0.176 0.000 0.488 106 T N -0.306 114.443 114.554 0.326 0.000 2.865 106 T HA 0.729 5.364 4.350 0.215 -0.156 0.294 106 T C -1.244 173.622 174.700 0.276 0.000 1.119 106 T CA -2.183 60.106 62.100 0.316 0.000 1.007 106 T CB 3.352 72.509 68.868 0.480 0.000 1.225 106 T HN 0.761 9.213 8.240 0.354 0.000 0.515 107 Q N -0.085 119.818 119.800 0.173 0.000 2.372 107 Q HA 0.733 5.199 4.340 -0.044 -0.153 0.273 107 Q C -1.726 174.262 176.000 -0.020 0.000 1.078 107 Q CA -0.715 55.088 55.803 0.000 0.000 0.806 107 Q CB 4.874 33.581 28.738 -0.051 0.000 1.332 107 Q HN 0.218 8.579 8.270 0.152 0.000 0.435 108 W N -1.041 120.170 121.300 -0.149 0.000 2.975 108 W HA 0.947 5.510 4.660 -0.401 -0.144 0.342 108 W C -2.783 173.550 176.519 -0.310 0.000 1.168 108 W CA -2.815 54.292 57.345 -0.397 0.000 1.141 108 W CB 3.328 32.267 29.460 -0.868 0.000 1.445 108 W HN 1.046 8.648 8.180 -0.774 0.113 0.560 109 L N -0.266 120.985 121.223 0.047 0.000 2.381 109 L HA 0.767 5.319 4.340 0.017 -0.202 0.274 109 L C -1.859 175.047 176.870 0.059 0.000 0.988 109 L CA -1.248 53.609 54.840 0.027 0.000 0.824 109 L CB 2.849 44.873 42.059 -0.059 0.000 1.263 109 L HN 0.500 8.685 8.230 -0.074 0.000 0.410 110 L N 5.893 127.201 121.223 0.142 0.000 2.319 110 L HA 0.790 5.281 4.340 -0.040 -0.175 0.281 110 L C -1.976 174.903 176.870 0.014 0.000 1.005 110 L CA -1.745 53.115 54.840 0.033 0.000 0.828 110 L CB 3.148 45.209 42.059 0.003 0.000 1.227 110 L HN 0.757 9.105 8.230 0.197 0.000 0.415 111 T N 10.691 125.241 114.554 -0.007 0.000 2.823 111 T HA 0.716 5.280 4.350 -0.032 -0.233 0.279 111 T C -0.589 174.108 174.700 -0.005 0.000 0.998 111 T CA -0.621 61.467 62.100 -0.019 0.000 0.994 111 T CB 2.109 70.960 68.868 -0.027 0.000 0.960 111 T HN 0.838 9.072 8.240 -0.010 0.000 0.448 112 S N 5.999 121.684 115.700 -0.025 0.000 2.593 112 S HA 0.439 5.063 4.470 0.029 -0.137 0.297 112 S C -0.230 174.363 174.600 -0.013 0.000 1.112 112 S CA -0.566 57.628 58.200 -0.009 0.000 1.043 112 S CB 2.574 65.749 63.200 -0.042 0.000 1.054 112 S HN 0.224 8.503 8.310 -0.051 0.000 0.516 113 G N 1.266 110.078 108.800 0.021 0.000 2.370 113 G HA2 0.019 3.979 3.960 -0.000 0.000 0.272 113 G HA3 0.019 4.005 3.960 0.042 0.000 0.272 113 G C -1.262 173.631 174.900 -0.012 0.000 1.208 113 G CA 0.311 45.420 45.100 0.015 0.000 0.856 113 G HN 0.031 8.356 8.290 0.059 0.000 0.500 114 T N 0.791 115.327 114.554 -0.031 0.000 2.831 114 T HA 0.245 4.565 4.350 -0.049 0.000 0.287 114 T C -0.688 173.996 174.700 -0.026 0.000 1.070 114 T CA -1.724 60.347 62.100 -0.050 0.000 1.010 114 T CB 2.465 71.273 68.868 -0.101 0.000 1.264 114 T HN -0.144 8.079 8.240 -0.028 0.000 0.532 115 T N -2.967 111.574 114.554 -0.022 0.000 2.816 115 T HA 0.091 4.443 4.350 0.004 0.000 0.282 115 T C 1.195 175.900 174.700 0.008 0.000 0.993 115 T CA -1.300 60.801 62.100 0.000 0.000 0.994 115 T CB 1.132 70.005 68.868 0.009 0.000 1.025 115 T HN -0.159 8.062 8.240 -0.032 0.000 0.529 116 E N 1.046 121.259 120.200 0.022 0.000 2.160 116 E HA -0.374 3.992 4.350 0.027 0.000 0.195 116 E C 2.456 179.098 176.600 0.070 0.000 0.991 116 E CA 3.345 59.767 56.400 0.036 0.000 0.810 116 E CB -0.718 29.004 29.700 0.035 0.000 0.742 116 E HN 0.557 8.929 8.360 0.020 0.000 0.466 117 A N -0.774 122.095 122.820 0.080 0.000 1.969 117 A HA -0.149 4.263 4.320 0.153 0.000 0.218 117 A C 0.887 178.615 177.584 0.240 0.000 1.169 117 A CA 2.587 54.710 52.037 0.144 0.000 0.635 117 A CB -0.453 18.616 19.000 0.116 0.000 0.810 117 A HN 0.267 8.425 8.150 0.058 0.026 0.445 118 N N -3.597 115.158 118.700 0.091 0.000 2.230 118 N HA 0.065 4.786 4.740 -0.032 0.000 0.202 118 N C 0.740 176.046 175.510 -0.339 0.000 1.119 118 N CA 0.109 53.088 53.050 -0.117 0.000 0.851 118 N CB 0.315 38.716 38.487 -0.144 0.000 0.990 118 N HN -0.449 7.827 8.380 0.044 0.130 0.497 119 A N 1.345 124.104 122.820 -0.103 0.000 1.948 119 A HA -0.197 4.047 4.320 -0.127 0.000 0.220 119 A C 1.798 179.294 177.584 -0.146 0.000 1.177 119 A CA 3.280 55.258 52.037 -0.097 0.000 0.636 119 A CB -0.555 18.450 19.000 0.008 0.000 0.815 119 A HN -0.473 7.498 8.150 0.019 0.190 0.449 120 W N -4.656 116.641 121.300 -0.005 0.000 2.325 120 W HA -0.283 4.372 4.660 -0.009 0.000 0.299 120 W C 0.156 176.670 176.519 -0.008 0.000 1.215 120 W CA 1.075 58.416 57.345 -0.008 0.000 1.244 120 W CB -1.160 28.295 29.460 -0.008 0.000 1.140 120 W HN -0.007 8.265 8.180 0.179 0.015 0.523 121 K N -1.192 118.544 120.400 -1.107 0.000 2.493 121 K HA 0.298 4.296 4.320 -0.536 0.000 0.207 121 K C 0.405 176.697 176.600 -0.513 0.000 1.033 121 K CA -0.093 55.613 56.287 -0.968 0.000 1.161 121 K CB -0.272 31.206 32.500 -1.702 0.000 0.873 121 K HN -0.686 6.513 8.250 -1.708 0.025 0.491 122 S N -0.690 114.805 115.700 -0.342 0.000 2.496 122 S HA -0.045 4.292 4.470 -0.222 0.000 0.224 122 S C -0.546 173.978 174.600 -0.127 0.000 0.996 122 S CA 1.999 60.075 58.200 -0.207 0.000 0.927 122 S CB 0.936 64.047 63.200 -0.148 0.000 0.774 122 S HN -0.179 7.788 8.310 -0.310 0.157 0.524 123 T N 4.621 119.111 114.554 -0.106 0.000 2.812 123 T HA 0.670 5.234 4.350 -0.043 -0.240 0.282 123 T C -0.560 174.114 174.700 -0.044 0.000 0.990 123 T CA 0.203 62.268 62.100 -0.058 0.000 0.960 123 T CB 2.187 71.026 68.868 -0.048 0.000 0.948 123 T HN -0.700 7.466 8.240 -0.123 0.000 0.438 124 L N 6.373 127.596 121.223 -0.001 0.000 2.344 124 L HA 0.517 4.838 4.340 -0.031 0.000 0.272 124 L C -1.473 175.364 176.870 -0.055 0.000 1.035 124 L CA -0.770 54.078 54.840 0.015 0.000 0.807 124 L CB 2.519 44.660 42.059 0.138 0.000 1.237 124 L HN 0.627 8.872 8.230 0.026 0.000 0.442 125 V N 0.381 120.137 119.914 -0.263 0.000 2.876 125 V HA 0.993 4.941 4.120 -0.636 -0.210 0.312 125 V C -1.495 173.975 176.094 -1.041 0.000 1.085 125 V CA -2.597 59.356 62.300 -0.577 0.000 0.945 125 V CB 3.687 35.320 31.823 -0.316 0.000 1.017 125 V HN 0.033 8.099 8.190 -0.206 0.000 0.428 126 G N 4.692 112.432 108.800 -1.767 0.000 2.619 126 G HA2 0.295 3.800 3.960 -0.758 0.000 0.305 126 G HA3 0.295 3.012 3.960 -2.072 0.000 0.305 126 G C -3.345 170.810 174.900 -1.243 0.000 1.330 126 G CA 0.210 44.349 45.100 -1.601 0.000 0.789 126 G HN -0.017 7.230 8.290 -1.739 0.000 0.487 127 H N -4.164 114.595 119.070 -0.517 0.000 2.961 127 H HA 0.447 5.030 4.556 -0.102 -0.089 0.371 127 H C -1.920 173.587 175.328 0.298 0.000 1.190 127 H CA -1.609 54.389 56.048 -0.084 0.000 1.138 127 H CB 3.472 33.194 29.762 -0.068 0.000 1.816 127 H HN 0.082 7.847 8.280 -0.857 0.000 0.551 128 D N 0.082 120.747 120.400 0.442 0.000 2.756 128 D HA 0.224 4.958 4.640 0.156 0.000 0.226 128 D C -1.332 175.076 176.300 0.179 0.000 1.186 128 D CA -0.251 53.909 54.000 0.267 0.000 0.845 128 D CB 4.670 45.613 40.800 0.238 0.000 1.610 128 D HN 0.164 8.709 8.370 0.481 0.114 0.465 129 T N 3.292 117.839 114.554 -0.011 0.000 2.848 129 T HA 0.691 5.384 4.350 0.252 -0.192 0.285 129 T C -1.306 173.371 174.700 -0.039 0.000 0.995 129 T CA -0.347 61.818 62.100 0.108 0.000 0.970 129 T CB 1.798 70.749 68.868 0.138 0.000 0.976 129 T HN 0.224 8.401 8.240 -0.106 0.000 0.441 130 F N 5.650 125.779 119.950 0.300 0.000 2.508 130 F HA 0.920 5.889 4.527 0.374 -0.217 0.325 130 F C -0.376 175.712 175.800 0.479 0.000 1.090 130 F CA -1.690 56.539 58.000 0.383 0.000 0.945 130 F CB 4.031 43.268 39.000 0.395 0.000 1.156 130 F HN 0.853 9.464 8.300 0.519 0.000 0.463 131 T N -3.107 111.865 114.554 0.696 0.000 2.864 131 T HA 0.624 5.519 4.350 0.676 -0.140 0.289 131 T C 0.667 175.582 174.700 0.358 0.000 1.082 131 T CA -2.398 60.032 62.100 0.550 0.000 1.009 131 T CB 3.394 72.446 68.868 0.306 0.000 1.234 131 T HN 0.691 9.314 8.240 0.637 0.000 0.526 132 K N 0.183 120.593 120.400 0.017 0.000 2.426 132 K HA 0.248 4.428 4.320 -0.502 -0.162 0.193 132 K C -0.587 176.046 176.600 0.055 0.000 1.028 132 K CA 1.294 57.431 56.287 -0.251 0.000 1.047 132 K CB 0.572 32.827 32.500 -0.409 0.000 0.821 132 K HN 0.525 8.819 8.250 0.073 0.000 0.513 133 V N 0.000 119.971 119.914 0.095 0.000 2.409 133 V HA 0.000 4.088 4.120 -0.054 0.000 0.244 133 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 133 V CB 0.000 31.817 31.823 -0.010 0.000 1.184 133 V HN 0.000 8.198 8.190 0.116 0.061 0.556