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 1w7d_1_A DATA FIRST_RESID 21 DATA SEQUENCE ETGDIVETAT GAGSFTTLLT AAEAAGLVDT LKGDGPFTVF APTDAAFAAL DATA SEQUENCE PEGTVEDLLK PENKEKLTEI LTYHVVPGEV MSSDLTEGMT AETVEGGALT DATA SEQUENCE VTLEGGPKVN GVSISQPDVD ASNGVIHVID GVLMPGA 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 21 E HA 0.000 4.355 4.350 0.008 0.000 0.291 21 E C 0.000 176.603 176.600 0.005 0.000 1.382 21 E CA 0.000 56.404 56.400 0.007 0.000 0.976 21 E CB 0.000 29.706 29.700 0.010 0.000 0.812 22 T N 2.276 116.833 114.554 0.006 0.000 3.071 22 T HA 0.265 4.618 4.350 0.005 0.000 0.311 22 T C -0.378 174.326 174.700 0.007 0.000 1.042 22 T CA -0.178 61.925 62.100 0.006 0.000 1.028 22 T CB 1.534 70.405 68.868 0.005 0.000 1.068 22 T HN 0.131 8.421 8.240 0.008 -0.045 0.451 23 G N 5.907 114.711 108.800 0.007 0.000 2.493 23 G HA2 -0.288 3.675 3.960 0.006 0.000 0.206 23 G HA3 -0.288 3.677 3.960 0.008 0.000 0.206 23 G C -0.560 174.342 174.900 0.003 0.000 1.109 23 G CA -0.047 45.057 45.100 0.006 0.000 0.689 23 G HN 0.233 8.527 8.290 0.007 0.000 0.516 24 D N 0.067 120.468 120.400 0.001 0.000 4.555 24 D HA -0.463 4.235 4.640 -0.002 -0.059 0.183 24 D C 0.561 176.849 176.300 -0.020 0.000 0.666 24 D CA 2.526 56.523 54.000 -0.006 0.000 1.462 24 D CB -1.410 39.386 40.800 -0.007 0.000 0.915 24 D HN 0.107 8.759 8.370 0.005 -0.279 0.477 25 I N -0.738 119.813 120.570 -0.032 0.000 2.233 25 I HA -0.237 3.876 4.170 -0.096 0.000 0.243 25 I C 1.997 178.087 176.117 -0.044 0.000 1.093 25 I CA 3.109 64.372 61.300 -0.062 0.000 1.380 25 I CB 0.641 38.602 38.000 -0.065 0.000 1.067 25 I HN -0.327 7.871 8.210 -0.019 0.000 0.413 26 V N -1.770 118.130 119.914 -0.025 0.000 2.548 26 V HA -0.234 3.873 4.120 -0.020 0.000 0.249 26 V C 1.115 177.207 176.094 -0.003 0.000 1.055 26 V CA 4.107 66.397 62.300 -0.016 0.000 1.065 26 V CB -0.139 31.675 31.823 -0.014 0.000 0.681 26 V HN -0.572 7.608 8.190 -0.018 0.000 0.462 27 E N -3.018 117.183 120.200 0.002 0.000 2.409 27 E HA -0.236 4.120 4.350 0.009 0.000 0.198 27 E C 1.649 178.262 176.600 0.021 0.000 1.024 27 E CA 2.376 58.782 56.400 0.011 0.000 0.861 27 E CB -1.336 28.370 29.700 0.012 0.000 0.788 27 E HN 0.331 8.564 8.360 -0.002 0.126 0.521 28 T N 3.841 118.410 114.554 0.026 0.000 2.685 28 T HA -0.472 3.923 4.350 0.075 0.000 0.268 28 T C 1.514 176.245 174.700 0.052 0.000 1.034 28 T CA 4.679 66.812 62.100 0.056 0.000 1.149 28 T CB -0.595 68.310 68.868 0.061 0.000 0.860 28 T HN -0.679 7.506 8.240 0.011 0.061 0.449 29 A N 0.213 123.053 122.820 0.033 0.000 2.009 29 A HA -0.213 4.124 4.320 0.028 0.000 0.222 29 A C 1.372 178.968 177.584 0.021 0.000 1.175 29 A CA 2.464 54.516 52.037 0.025 0.000 0.651 29 A CB -0.996 18.013 19.000 0.015 0.000 0.815 29 A HN -0.480 7.684 8.150 0.024 0.000 0.459 30 T N -0.137 114.429 114.554 0.021 0.000 2.777 30 T HA -0.183 4.175 4.350 0.012 0.000 0.266 30 T C 1.514 176.225 174.700 0.018 0.000 1.040 30 T CA 3.086 65.196 62.100 0.017 0.000 1.141 30 T CB 0.167 69.044 68.868 0.016 0.000 0.868 30 T HN -0.102 8.001 8.240 0.022 0.150 0.444 31 G N -0.363 108.454 108.800 0.028 0.000 2.687 31 G HA2 0.069 4.049 3.960 0.033 0.000 0.222 31 G HA3 0.069 4.039 3.960 0.017 0.000 0.222 31 G C -1.413 173.504 174.900 0.028 0.000 1.445 31 G CA -0.423 44.694 45.100 0.027 0.000 0.836 31 G HN -0.622 7.593 8.290 0.036 0.097 0.598 32 A N -1.146 121.706 122.820 0.055 0.000 2.060 32 A HA -0.278 4.113 4.320 0.118 0.000 0.267 32 A C -0.266 177.322 177.584 0.005 0.000 1.378 32 A CA 0.086 52.159 52.037 0.060 0.000 0.733 32 A CB -1.262 17.767 19.000 0.049 0.000 1.188 32 A HN -0.464 7.732 8.150 0.076 0.000 0.311 33 G N 0.411 109.200 108.800 -0.018 0.000 2.641 33 G HA2 -0.138 3.788 3.960 -0.058 0.000 0.207 33 G HA3 -0.138 3.790 3.960 -0.054 0.000 0.207 33 G C 0.933 175.754 174.900 -0.132 0.000 1.137 33 G CA 0.166 45.228 45.100 -0.064 0.000 0.824 33 G HN 0.296 8.588 8.290 0.004 0.000 0.547 34 S N -1.352 114.214 115.700 -0.223 0.000 2.404 34 S HA 0.004 4.287 4.470 -0.313 0.000 0.223 34 S C -0.078 174.223 174.600 -0.498 0.000 1.040 34 S CA 1.164 59.102 58.200 -0.436 0.000 0.957 34 S CB 0.784 63.569 63.200 -0.692 0.000 0.826 34 S HN -0.346 7.857 8.310 -0.179 0.000 0.491 35 F N -2.410 117.521 119.950 -0.033 0.000 2.819 35 F HA 0.356 4.850 4.527 -0.054 0.000 0.294 35 F C 0.519 176.270 175.800 -0.081 0.000 1.166 35 F CA -1.759 56.218 58.000 -0.038 0.000 1.374 35 F CB -0.904 38.110 39.000 0.023 0.000 0.956 35 F HN -0.491 7.729 8.300 -0.133 0.000 0.509 36 T N 0.336 114.875 114.554 -0.026 0.000 2.867 36 T HA -0.269 4.084 4.350 0.005 0.000 0.268 36 T C 0.770 175.414 174.700 -0.092 0.000 1.057 36 T CA 3.641 65.713 62.100 -0.046 0.000 1.136 36 T CB 0.081 68.903 68.868 -0.077 0.000 0.874 36 T HN -0.076 8.005 8.240 -0.105 0.096 0.466 37 T N -1.297 113.120 114.554 -0.229 0.000 3.107 37 T HA 0.055 4.309 4.350 -0.160 0.000 0.249 37 T C -0.571 174.035 174.700 -0.156 0.000 1.096 37 T CA 0.460 62.384 62.100 -0.294 0.000 1.012 37 T CB -0.076 68.420 68.868 -0.621 0.000 0.977 37 T HN 0.026 8.061 8.240 -0.309 0.020 0.527 38 L N -1.853 119.357 121.223 -0.020 0.000 2.865 38 L HA 0.317 4.751 4.340 0.157 0.000 0.167 38 L C 0.241 177.179 176.870 0.113 0.000 1.135 38 L CA 1.510 56.440 54.840 0.151 0.000 0.895 38 L CB 0.780 43.069 42.059 0.383 0.000 1.643 38 L HN -0.465 7.567 8.230 -0.012 0.191 0.518 39 L N 0.340 121.648 121.223 0.142 0.000 2.478 39 L HA -0.012 4.351 4.340 0.038 0.000 0.223 39 L C 2.408 179.310 176.870 0.054 0.000 1.140 39 L CA 1.506 56.383 54.840 0.062 0.000 0.842 39 L CB -0.296 41.733 42.059 -0.051 0.000 0.953 39 L HN -0.060 8.216 8.230 0.231 0.092 0.452 40 T N 1.771 116.365 114.554 0.067 0.000 2.881 40 T HA -0.389 4.096 4.350 0.041 -0.110 0.270 40 T C 0.716 175.430 174.700 0.024 0.000 1.068 40 T CA 3.679 65.803 62.100 0.040 0.000 1.131 40 T CB -0.189 68.696 68.868 0.028 0.000 0.871 40 T HN -0.232 8.030 8.240 0.087 0.030 0.479 41 A N -1.189 121.646 122.820 0.026 0.000 2.208 41 A HA 0.085 4.412 4.320 0.012 0.000 0.209 41 A C 1.037 178.627 177.584 0.010 0.000 1.161 41 A CA 1.142 53.188 52.037 0.017 0.000 0.782 41 A CB -0.925 18.086 19.000 0.019 0.000 0.816 41 A HN -0.268 7.757 8.150 0.037 0.147 0.477 42 A N -0.570 122.257 122.820 0.011 0.000 1.858 42 A HA -0.332 3.990 4.320 0.002 0.000 0.216 42 A C 1.602 179.180 177.584 -0.010 0.000 1.190 42 A CA 3.244 55.281 52.037 -0.001 0.000 0.617 42 A CB -0.647 18.347 19.000 -0.011 0.000 0.827 42 A HN -0.058 7.885 8.150 0.017 0.217 0.443 43 E N -0.892 119.305 120.200 -0.005 0.000 2.047 43 E HA -0.257 4.086 4.350 -0.011 0.000 0.191 43 E C 2.206 178.803 176.600 -0.004 0.000 0.987 43 E CA 2.288 58.685 56.400 -0.005 0.000 0.799 43 E CB -0.543 29.157 29.700 0.000 0.000 0.752 43 E HN -0.195 8.165 8.360 0.000 0.000 0.449 44 A N -1.639 121.182 122.820 0.001 0.000 2.206 44 A HA 0.008 4.328 4.320 0.000 0.000 0.211 44 A C 0.927 178.511 177.584 -0.000 0.000 1.158 44 A CA 1.800 53.838 52.037 0.001 0.000 0.761 44 A CB -0.623 18.379 19.000 0.004 0.000 0.801 44 A HN -0.550 7.549 8.150 0.004 0.053 0.473 45 A N -3.374 119.445 122.820 -0.002 0.000 2.308 45 A HA 0.110 4.429 4.320 -0.001 0.000 0.217 45 A C -0.623 176.957 177.584 -0.008 0.000 1.216 45 A CA -0.603 51.432 52.037 -0.003 0.000 0.864 45 A CB 0.696 19.695 19.000 -0.002 0.000 0.902 45 A HN -0.125 7.892 8.150 -0.002 0.131 0.499 46 G N -2.819 105.974 108.800 -0.010 0.000 2.132 46 G HA2 -0.308 3.644 3.960 -0.013 0.000 0.228 46 G HA3 -0.308 3.644 3.960 -0.013 0.000 0.228 46 G C -0.183 174.701 174.900 -0.026 0.000 1.000 46 G CA 1.003 46.094 45.100 -0.015 0.000 0.693 46 G HN -0.115 7.987 8.290 -0.009 0.182 0.515 47 L N -1.706 119.498 121.223 -0.031 0.000 2.567 47 L HA 0.259 4.557 4.340 -0.070 0.000 0.225 47 L C 0.986 177.819 176.870 -0.063 0.000 1.119 47 L CA -0.286 54.520 54.840 -0.057 0.000 0.871 47 L CB -0.201 41.826 42.059 -0.053 0.000 1.036 47 L HN -0.444 7.743 8.230 -0.023 0.029 0.459 48 V N 1.728 121.620 119.914 -0.037 0.000 2.252 48 V HA -0.557 3.547 4.120 -0.027 0.000 0.249 48 V C 0.546 176.624 176.094 -0.025 0.000 1.056 48 V CA 4.306 66.590 62.300 -0.026 0.000 1.022 48 V CB -0.034 31.782 31.823 -0.013 0.000 0.641 48 V HN -0.766 7.350 8.190 -0.027 0.057 0.445 49 D N -4.209 116.177 120.400 -0.024 0.000 2.263 49 D HA -0.219 4.420 4.640 -0.001 0.000 0.208 49 D C 1.662 177.946 176.300 -0.026 0.000 0.971 49 D CA 3.206 57.198 54.000 -0.014 0.000 0.867 49 D CB -0.075 40.718 40.800 -0.011 0.000 0.929 49 D HN 0.477 8.833 8.370 -0.024 0.000 0.492 50 T N 1.800 116.308 114.554 -0.077 0.000 2.866 50 T HA -0.132 4.149 4.350 -0.115 0.000 0.250 50 T C 1.206 175.747 174.700 -0.266 0.000 1.033 50 T CA 3.900 65.897 62.100 -0.170 0.000 1.145 50 T CB 0.294 69.025 68.868 -0.230 0.000 0.866 50 T HN -0.790 7.204 8.240 -0.076 0.200 0.434 51 L N -1.591 119.500 121.223 -0.220 0.000 2.102 51 L HA -0.151 3.944 4.340 -0.408 0.000 0.202 51 L C 1.457 178.391 176.870 0.107 0.000 1.076 51 L CA 2.513 57.262 54.840 -0.152 0.000 0.761 51 L CB 0.157 42.144 42.059 -0.120 0.000 0.921 51 L HN 0.218 8.353 8.230 -0.158 0.000 0.444 52 K N -2.826 117.602 120.400 0.047 0.000 2.393 52 K HA -0.052 4.317 4.320 0.080 0.000 0.193 52 K C 1.306 177.947 176.600 0.069 0.000 1.026 52 K CA 1.091 57.414 56.287 0.061 0.000 1.064 52 K CB 0.292 32.807 32.500 0.025 0.000 0.833 52 K HN -0.508 7.741 8.250 -0.000 0.000 0.521 53 G N -1.721 107.122 108.800 0.072 0.000 2.985 53 G HA2 0.004 4.175 3.960 0.045 0.000 0.209 53 G HA3 0.004 3.990 3.960 0.043 0.000 0.209 53 G C -1.139 173.816 174.900 0.092 0.000 1.165 53 G CA 0.505 45.642 45.100 0.062 0.000 0.776 53 G HN -0.098 8.164 8.290 0.064 0.066 0.541 54 D N -1.209 119.282 120.400 0.152 0.000 3.118 54 D HA 0.222 4.908 4.640 0.076 0.000 0.222 54 D C -0.137 176.192 176.300 0.047 0.000 1.470 54 D CA 0.184 54.257 54.000 0.122 0.000 1.347 54 D CB 1.429 42.356 40.800 0.211 0.000 1.221 54 D HN -0.548 7.877 8.370 0.199 0.065 0.326 55 G N -0.958 107.862 108.800 0.033 0.000 2.600 55 G HA2 0.062 3.955 3.960 -0.110 0.000 0.072 55 G HA3 0.062 4.232 3.960 -0.023 -0.225 0.072 55 G C -3.187 171.621 174.900 -0.155 0.000 1.051 55 G CA 0.457 45.517 45.100 -0.067 0.000 1.230 55 G HN -0.463 7.923 8.290 0.160 0.000 0.547 56 P HA 0.016 4.539 4.420 -0.172 -0.207 0.266 56 P C -1.637 175.307 177.300 -0.594 0.000 1.215 56 P CA 0.120 63.032 63.100 -0.313 0.000 0.763 56 P CB -0.069 31.464 31.700 -0.278 0.000 0.806 57 F N 2.665 122.567 119.950 -0.081 0.000 2.588 57 F HA 0.177 4.751 4.527 -0.100 -0.107 0.314 57 F C -0.999 174.715 175.800 -0.144 0.000 1.134 57 F CA -1.084 56.854 58.000 -0.103 0.000 0.961 57 F CB 4.833 43.779 39.000 -0.089 0.000 1.239 57 F HN -0.408 7.874 8.300 -0.029 0.000 0.448 58 T N 6.078 120.668 114.554 0.061 0.000 2.786 58 T HA 0.814 5.351 4.350 -0.134 -0.267 0.283 58 T C -1.512 173.003 174.700 -0.309 0.000 0.992 58 T CA -2.235 59.788 62.100 -0.128 0.000 0.954 58 T CB 1.000 69.794 68.868 -0.124 0.000 0.934 58 T HN 0.837 9.171 8.240 0.157 0.000 0.440 59 V N 4.476 124.168 119.914 -0.370 0.000 2.656 59 V HA 0.818 4.621 4.120 -0.800 -0.163 0.307 59 V C -1.447 174.338 176.094 -0.515 0.000 1.051 59 V CA -3.433 58.525 62.300 -0.570 0.000 0.893 59 V CB 2.300 33.902 31.823 -0.369 0.000 0.999 59 V HN -0.144 7.882 8.190 -0.274 0.000 0.426 60 F N 3.871 123.615 119.950 -0.343 0.000 2.541 60 F HA 0.156 4.866 4.527 0.038 -0.160 0.347 60 F C -0.346 175.519 175.800 0.110 0.000 1.242 60 F CA -1.017 56.949 58.000 -0.057 0.000 1.123 60 F CB -1.401 37.595 39.000 -0.006 0.000 1.354 60 F HN -0.279 7.400 8.300 -1.034 0.000 0.621 61 A N 3.961 126.890 122.820 0.182 0.000 2.279 61 A HA 0.413 4.884 4.320 0.250 0.000 0.306 61 A C -2.101 175.699 177.584 0.361 0.000 1.300 61 A CA -2.783 49.334 52.037 0.133 0.000 0.925 61 A CB 0.170 18.926 19.000 -0.406 0.000 1.152 61 A HN 0.457 8.666 8.150 0.098 0.000 0.544 62 P HA 0.619 5.526 4.420 0.360 -0.271 0.282 62 P C -0.493 177.177 177.300 0.617 0.000 1.249 62 P CA -1.079 62.294 63.100 0.456 0.000 0.806 62 P CB 1.142 33.020 31.700 0.297 0.000 0.984 63 T N 0.840 115.633 114.554 0.398 0.000 2.788 63 T HA -0.071 4.258 4.350 -0.034 0.000 0.280 63 T C 0.864 175.670 174.700 0.177 0.000 0.984 63 T CA -1.540 60.656 62.100 0.160 0.000 0.972 63 T CB 2.075 70.975 68.868 0.053 0.000 1.039 63 T HN -0.514 7.913 8.240 0.312 0.000 0.530 64 D N 1.411 121.786 120.400 -0.041 0.000 2.178 64 D HA -0.287 4.296 4.640 -0.095 0.000 0.201 64 D C 1.099 177.447 176.300 0.080 0.000 0.980 64 D CA 3.410 57.386 54.000 -0.040 0.000 0.842 64 D CB 0.148 40.867 40.800 -0.135 0.000 0.948 64 D HN 0.463 8.715 8.370 -0.197 0.000 0.472 65 A N -2.408 120.454 122.820 0.070 0.000 2.119 65 A HA -0.017 4.342 4.320 0.065 0.000 0.216 65 A C 0.871 178.528 177.584 0.121 0.000 1.152 65 A CA 1.761 53.844 52.037 0.078 0.000 0.708 65 A CB -0.548 18.477 19.000 0.042 0.000 0.805 65 A HN -0.648 7.497 8.150 0.033 0.025 0.460 66 A N -1.999 120.934 122.820 0.188 0.000 1.930 66 A HA -0.143 4.228 4.320 0.085 0.000 0.215 66 A C 1.458 179.112 177.584 0.117 0.000 1.176 66 A CA 2.230 54.355 52.037 0.146 0.000 0.632 66 A CB 0.015 19.109 19.000 0.158 0.000 0.819 66 A HN -0.343 7.743 8.150 0.229 0.201 0.445 67 F N -3.110 116.861 119.950 0.035 0.000 2.293 67 F HA -0.292 4.253 4.527 0.031 0.000 0.300 67 F C 0.785 176.594 175.800 0.016 0.000 1.086 67 F CA 2.508 60.524 58.000 0.028 0.000 1.375 67 F CB -0.462 38.554 39.000 0.027 0.000 1.045 67 F HN -0.729 7.991 8.300 0.700 0.000 0.516 68 A N -2.863 120.074 122.820 0.195 0.000 2.167 68 A HA -0.141 4.239 4.320 0.100 0.000 0.214 68 A C 0.578 178.200 177.584 0.063 0.000 1.151 68 A CA 1.816 53.916 52.037 0.104 0.000 0.735 68 A CB -1.163 17.884 19.000 0.077 0.000 0.802 68 A HN -0.547 7.612 8.150 0.222 0.124 0.467 69 A N 0.267 123.120 122.820 0.055 0.000 1.898 69 A HA -0.103 4.231 4.320 0.024 0.000 0.214 69 A C 0.211 177.798 177.584 0.006 0.000 1.183 69 A CA 1.711 53.762 52.037 0.023 0.000 0.622 69 A CB 0.359 19.367 19.000 0.015 0.000 0.824 69 A HN -0.544 7.451 8.150 0.076 0.201 0.444 70 L N -7.347 113.871 121.223 -0.009 0.000 2.599 70 L HA 0.634 4.969 4.340 -0.009 0.000 0.241 70 L C -2.121 174.750 176.870 0.002 0.000 1.207 70 L CA -3.205 51.624 54.840 -0.019 0.000 0.987 70 L CB 0.188 42.216 42.059 -0.052 0.000 1.318 70 L HN -0.654 7.566 8.230 -0.017 0.000 0.458 71 P HA 0.341 4.860 4.420 0.070 -0.057 0.262 71 P C 0.116 177.434 177.300 0.031 0.000 1.304 71 P CA -0.343 62.784 63.100 0.046 0.000 0.859 71 P CB 0.422 32.153 31.700 0.051 0.000 1.310 72 E N 0.862 121.072 120.200 0.017 0.000 2.012 72 E HA -0.220 4.138 4.350 0.013 0.000 0.197 72 E C 0.594 177.203 176.600 0.014 0.000 1.007 72 E CA 2.223 58.630 56.400 0.012 0.000 0.816 72 E CB -0.006 29.696 29.700 0.003 0.000 0.762 72 E HN 0.013 8.299 8.360 0.010 0.080 0.451 73 G N -5.118 103.690 108.800 0.012 0.000 3.155 73 G HA2 0.224 4.189 3.960 0.010 0.000 0.193 73 G HA3 0.224 4.197 3.960 0.022 0.000 0.193 73 G C 0.810 175.721 174.900 0.019 0.000 1.215 73 G CA 0.148 45.258 45.100 0.016 0.000 0.917 73 G HN 0.103 8.397 8.290 0.006 0.000 0.756 74 T N 5.847 120.405 114.554 0.008 0.000 2.857 74 T HA -0.135 4.352 4.350 -0.007 -0.141 0.266 74 T C 1.192 175.914 174.700 0.038 0.000 1.048 74 T CA 3.944 66.040 62.100 -0.007 0.000 1.139 74 T CB -0.056 68.777 68.868 -0.060 0.000 0.874 74 T HN -0.358 7.883 8.240 0.002 0.000 0.455 75 V N 0.674 120.641 119.914 0.089 0.000 2.515 75 V HA -0.379 3.989 4.120 0.413 0.000 0.250 75 V C 0.997 177.194 176.094 0.172 0.000 1.058 75 V CA 3.162 65.607 62.300 0.241 0.000 1.064 75 V CB -0.384 31.596 31.823 0.263 0.000 0.675 75 V HN -0.676 7.550 8.190 0.061 0.000 0.461 76 E N -0.662 119.595 120.200 0.095 0.000 2.047 76 E HA -0.328 4.061 4.350 0.064 0.000 0.191 76 E C 1.853 178.490 176.600 0.062 0.000 0.987 76 E CA 3.029 59.468 56.400 0.065 0.000 0.799 76 E CB -0.550 29.174 29.700 0.041 0.000 0.752 76 E HN -0.165 8.138 8.360 0.076 0.103 0.449 77 D N -0.449 119.984 120.400 0.054 0.000 2.104 77 D HA -0.306 4.354 4.640 0.033 0.000 0.194 77 D C 2.234 178.574 176.300 0.067 0.000 0.994 77 D CA 3.473 57.499 54.000 0.044 0.000 0.830 77 D CB 0.044 40.859 40.800 0.024 0.000 0.959 77 D HN 0.075 8.366 8.370 0.048 0.108 0.452 78 L N -3.504 117.788 121.223 0.115 0.000 2.552 78 L HA -0.070 4.347 4.340 0.127 0.000 0.227 78 L C 1.841 178.813 176.870 0.170 0.000 1.146 78 L CA 0.927 55.879 54.840 0.185 0.000 0.858 78 L CB -0.218 42.053 42.059 0.352 0.000 0.969 78 L HN 0.247 8.435 8.230 0.118 0.113 0.451 79 L N -2.340 118.954 121.223 0.118 0.000 2.463 79 L HA 0.062 4.425 4.340 0.039 0.000 0.219 79 L C -0.127 176.765 176.870 0.037 0.000 1.088 79 L CA -0.150 54.725 54.840 0.059 0.000 0.849 79 L CB 0.681 42.768 42.059 0.047 0.000 1.012 79 L HN -0.672 7.436 8.230 0.118 0.193 0.468 80 K N -0.077 120.347 120.400 0.041 0.000 2.350 80 K HA 0.178 4.510 4.320 0.020 0.000 0.279 80 K C -0.821 175.793 176.600 0.023 0.000 1.027 80 K CA -2.747 53.556 56.287 0.027 0.000 0.969 80 K CB -0.911 31.604 32.500 0.024 0.000 0.954 80 K HN -0.516 7.650 8.250 0.054 0.117 0.474 81 P HA -0.236 4.191 4.420 0.013 0.000 0.223 81 P C 0.379 177.687 177.300 0.012 0.000 1.144 81 P CA 2.000 65.107 63.100 0.012 0.000 0.783 81 P CB -0.035 31.670 31.700 0.008 0.000 0.771 82 E N -3.412 116.795 120.200 0.013 0.000 2.150 82 E HA -0.315 4.040 4.350 0.007 0.000 0.193 82 E C 1.842 178.448 176.600 0.011 0.000 0.985 82 E CA 2.639 59.045 56.400 0.010 0.000 0.814 82 E CB -1.123 28.582 29.700 0.009 0.000 0.752 82 E HN 0.500 8.790 8.360 0.014 0.078 0.466 83 N N -1.094 117.616 118.700 0.017 0.000 2.216 83 N HA -0.309 4.437 4.740 0.011 0.000 0.183 83 N C 1.350 176.868 175.510 0.013 0.000 1.017 83 N CA 3.453 56.513 53.050 0.018 0.000 0.861 83 N CB -0.050 38.457 38.487 0.034 0.000 0.986 83 N HN -0.025 8.334 8.380 0.022 0.035 0.428 84 K N -1.188 119.221 120.400 0.015 0.000 2.211 84 K HA -0.319 4.006 4.320 0.009 0.000 0.203 84 K C 1.437 178.040 176.600 0.005 0.000 1.050 84 K CA 3.180 59.473 56.287 0.010 0.000 0.945 84 K CB -0.846 31.661 32.500 0.012 0.000 0.732 84 K HN -0.402 7.859 8.250 0.018 0.000 0.451 85 E N -1.372 118.831 120.200 0.005 0.000 2.106 85 E HA -0.263 4.088 4.350 0.002 0.000 0.192 85 E C 2.007 178.608 176.600 0.001 0.000 0.984 85 E CA 2.737 59.139 56.400 0.003 0.000 0.806 85 E CB -0.552 29.150 29.700 0.003 0.000 0.750 85 E HN -0.346 7.991 8.360 0.007 0.028 0.458 86 K N -1.087 119.313 120.400 0.001 0.000 2.305 86 K HA -0.101 4.219 4.320 -0.000 0.000 0.199 86 K C 2.268 178.868 176.600 0.000 0.000 1.047 86 K CA 2.338 58.625 56.287 -0.000 0.000 0.976 86 K CB -0.213 32.286 32.500 -0.003 0.000 0.765 86 K HN -0.754 7.408 8.250 0.003 0.090 0.474 87 L N -0.048 121.174 121.223 -0.001 0.000 2.083 87 L HA -0.313 4.024 4.340 -0.005 0.000 0.209 87 L C 2.034 178.906 176.870 0.004 0.000 1.083 87 L CA 2.921 57.759 54.840 -0.004 0.000 0.752 87 L CB -0.516 41.535 42.059 -0.013 0.000 0.899 87 L HN 0.451 8.474 8.230 -0.001 0.207 0.433 88 T N -1.676 112.879 114.554 0.001 0.000 2.699 88 T HA -0.368 3.980 4.350 -0.003 0.000 0.268 88 T C 0.888 175.591 174.700 0.004 0.000 1.036 88 T CA 4.289 66.389 62.100 0.000 0.000 1.147 88 T CB -0.201 68.666 68.868 -0.001 0.000 0.862 88 T HN -0.493 7.657 8.240 0.001 0.090 0.446 89 E N -0.397 119.806 120.200 0.006 0.000 2.072 89 E HA -0.136 4.219 4.350 0.008 0.000 0.190 89 E C 1.636 178.248 176.600 0.021 0.000 0.982 89 E CA 2.198 58.603 56.400 0.009 0.000 0.803 89 E CB 0.361 30.064 29.700 0.004 0.000 0.755 89 E HN -0.619 7.632 8.360 0.004 0.111 0.453 90 I N -0.545 120.041 120.570 0.027 0.000 3.883 90 I HA 0.019 4.221 4.170 0.052 0.000 0.326 90 I C 0.938 177.114 176.117 0.097 0.000 1.283 90 I CA -1.483 59.848 61.300 0.052 0.000 1.161 90 I CB 0.076 38.096 38.000 0.034 0.000 1.012 90 I HN 0.017 8.041 8.210 0.018 0.197 0.421 91 L N -1.009 120.256 121.223 0.069 0.000 2.089 91 L HA -0.376 4.034 4.340 0.117 0.000 0.213 91 L C 1.039 177.973 176.870 0.106 0.000 1.079 91 L CA 3.721 58.611 54.840 0.083 0.000 0.758 91 L CB -1.502 40.569 42.059 0.021 0.000 0.891 91 L HN -0.326 7.857 8.230 0.041 0.071 0.433 92 T N -1.143 113.465 114.554 0.090 0.000 2.881 92 T HA -0.366 4.002 4.350 0.029 0.000 0.270 92 T C 1.782 176.572 174.700 0.151 0.000 1.068 92 T CA 3.788 65.940 62.100 0.085 0.000 1.131 92 T CB -0.217 68.700 68.868 0.080 0.000 0.871 92 T HN -0.078 8.174 8.240 0.078 0.034 0.479 93 Y N 0.783 121.133 120.300 0.083 0.000 2.482 93 Y HA -0.134 4.473 4.550 0.095 0.000 0.270 93 Y C -0.345 175.671 175.900 0.194 0.000 1.152 93 Y CA 1.558 59.725 58.100 0.113 0.000 1.292 93 Y CB 0.940 39.455 38.460 0.093 0.000 1.070 93 Y HN -0.391 8.033 8.280 0.296 0.034 0.528 94 H N -1.588 117.573 119.070 0.152 0.000 2.729 94 H HA 0.150 4.853 4.556 0.245 0.000 0.263 94 H C -0.970 174.362 175.328 0.006 0.000 0.961 94 H CA 1.044 57.178 56.048 0.144 0.000 1.217 94 H CB 3.062 32.910 29.762 0.143 0.000 1.447 94 H HN -0.331 7.941 8.280 0.298 0.186 0.496 95 V N 1.644 121.532 119.914 -0.043 0.000 2.383 95 V HA 0.079 4.047 4.120 -0.253 0.000 0.275 95 V C -1.453 174.578 176.094 -0.106 0.000 1.036 95 V CA -0.504 61.705 62.300 -0.152 0.000 0.889 95 V CB 0.007 31.726 31.823 -0.172 0.000 0.985 95 V HN 0.212 8.443 8.190 0.069 0.000 0.459 96 V N 9.190 129.028 119.914 -0.127 0.000 2.483 96 V HA 0.440 4.546 4.120 -0.023 0.000 0.295 96 V C -2.061 174.119 176.094 0.142 0.000 1.035 96 V CA -3.644 58.628 62.300 -0.047 0.000 0.896 96 V CB 1.248 32.971 31.823 -0.166 0.000 0.986 96 V HN 0.891 8.952 8.190 -0.216 0.000 0.447 97 P HA -0.043 4.623 4.420 0.410 0.000 0.271 97 P C -0.348 176.879 177.300 -0.122 0.000 1.238 97 P CA 0.157 63.335 63.100 0.129 0.000 0.794 97 P CB 0.622 32.352 31.700 0.050 0.000 0.959 98 G N -0.473 108.070 108.800 -0.429 0.000 2.852 98 G HA2 -0.142 3.561 3.960 -0.496 0.000 0.280 98 G HA3 -0.142 3.585 3.960 -0.303 0.051 0.280 98 G C -1.407 173.376 174.900 -0.196 0.000 0.731 98 G CA 0.335 45.212 45.100 -0.372 0.000 2.037 98 G HN 0.149 8.051 8.290 -0.647 0.000 0.560 99 E N 3.359 123.487 120.200 -0.121 0.000 2.314 99 E HA 0.143 4.445 4.350 -0.080 0.000 0.272 99 E C -1.588 174.984 176.600 -0.048 0.000 0.884 99 E CA -1.174 55.180 56.400 -0.076 0.000 0.753 99 E CB 3.079 32.746 29.700 -0.055 0.000 1.213 99 E HN -0.321 7.936 8.360 -0.109 0.037 0.432 100 V N 4.248 124.141 119.914 -0.034 0.000 2.583 100 V HA 0.114 4.230 4.120 -0.007 0.000 0.287 100 V C 0.654 176.753 176.094 0.007 0.000 1.051 100 V CA -0.171 62.122 62.300 -0.011 0.000 1.010 100 V CB 0.339 32.154 31.823 -0.014 0.000 0.988 100 V HN 0.055 8.222 8.190 -0.038 0.000 0.478 101 M N 5.954 125.577 119.600 0.039 0.000 2.114 101 M HA 0.247 4.736 4.480 0.015 0.000 0.280 101 M C 0.976 177.292 176.300 0.026 0.000 1.209 101 M CA 0.017 55.338 55.300 0.036 0.000 1.044 101 M CB 0.982 33.618 32.600 0.060 0.000 1.404 101 M HN -0.210 8.118 8.290 0.064 0.000 0.499 102 S N -0.302 115.404 115.700 0.011 0.000 2.441 102 S HA -0.358 4.249 4.470 0.005 -0.134 0.242 102 S C 1.140 175.750 174.600 0.017 0.000 1.018 102 S CA 3.224 61.428 58.200 0.008 0.000 0.988 102 S CB -0.753 62.446 63.200 -0.002 0.000 0.778 102 S HN 0.360 8.670 8.310 -0.001 0.000 0.498 103 S N -0.401 115.320 115.700 0.034 0.000 2.469 103 S HA -0.191 4.298 4.470 0.031 0.000 0.238 103 S C 0.366 174.981 174.600 0.025 0.000 0.998 103 S CA 2.860 61.083 58.200 0.038 0.000 0.957 103 S CB -0.077 63.163 63.200 0.066 0.000 0.764 103 S HN -0.532 7.762 8.310 0.046 0.044 0.514 104 D N 0.267 120.679 120.400 0.020 0.000 2.725 104 D HA 0.082 4.727 4.640 0.009 0.000 0.269 104 D C 0.870 177.173 176.300 0.005 0.000 1.018 104 D CA 1.173 55.178 54.000 0.010 0.000 0.956 104 D CB 0.961 41.764 40.800 0.005 0.000 1.141 104 D HN 0.047 8.253 8.370 0.022 0.177 0.478 105 L N -0.673 120.552 121.223 0.004 0.000 2.040 105 L HA 0.048 4.387 4.340 -0.001 0.000 0.208 105 L C -0.978 175.893 176.870 0.002 0.000 1.186 105 L CA 1.688 56.528 54.840 0.001 0.000 1.017 105 L CB 1.428 43.486 42.059 -0.001 0.000 1.011 105 L HN -0.622 7.612 8.230 0.007 0.000 0.561 106 T N -6.367 108.188 114.554 0.002 0.000 2.942 106 T HA 0.104 4.455 4.350 0.003 0.000 0.327 106 T C -1.739 172.961 174.700 -0.000 0.000 1.360 106 T CA -1.215 60.886 62.100 0.001 0.000 1.055 106 T CB 2.688 71.556 68.868 0.000 0.000 1.261 106 T HN -0.296 7.945 8.240 0.001 0.000 0.485 107 E N 2.980 123.180 120.200 -0.000 0.000 2.316 107 E HA -0.184 4.163 4.350 -0.005 0.000 0.275 107 E C -0.073 176.524 176.600 -0.005 0.000 1.029 107 E CA -0.295 56.103 56.400 -0.003 0.000 0.871 107 E CB -0.694 29.005 29.700 -0.002 0.000 1.022 107 E HN 0.199 8.560 8.360 0.001 0.000 0.418 108 G N 5.171 113.967 108.800 -0.007 0.000 2.798 108 G HA2 -0.281 3.676 3.960 -0.005 0.000 0.167 108 G HA3 -0.281 3.709 3.960 -0.009 -0.035 0.167 108 G C -1.740 173.157 174.900 -0.006 0.000 1.082 108 G CA -0.168 44.928 45.100 -0.007 0.000 0.905 108 G HN -0.096 8.188 8.290 -0.010 0.000 0.514 109 M N -1.830 117.766 119.600 -0.007 0.000 2.716 109 M HA 0.639 5.117 4.480 -0.004 0.000 0.278 109 M C -2.707 173.590 176.300 -0.005 0.000 1.281 109 M CA -1.466 53.831 55.300 -0.005 0.000 0.814 109 M CB 3.202 35.800 32.600 -0.004 0.000 1.719 109 M HN 0.353 8.637 8.290 -0.010 0.000 0.457 110 T N -2.019 112.534 114.554 -0.002 0.000 2.779 110 T HA 0.856 5.421 4.350 -0.002 -0.215 0.280 110 T C -0.456 174.244 174.700 0.001 0.000 0.987 110 T CA -2.054 60.046 62.100 -0.000 0.000 0.966 110 T CB 1.197 70.066 68.868 0.002 0.000 0.933 110 T HN -0.078 8.161 8.240 -0.002 0.000 0.442 111 A N 5.581 128.404 122.820 0.004 0.000 2.305 111 A HA 0.313 4.632 4.320 -0.001 0.000 0.322 111 A C -1.829 175.752 177.584 -0.005 0.000 1.187 111 A CA -1.456 50.584 52.037 0.005 0.000 0.825 111 A CB 2.213 21.227 19.000 0.022 0.000 1.164 111 A HN 0.110 8.264 8.150 0.007 0.000 0.498 112 E N 4.471 124.665 120.200 -0.010 0.000 2.175 112 E HA 0.669 5.144 4.350 -0.021 -0.137 0.278 112 E C 0.263 176.846 176.600 -0.029 0.000 0.969 112 E CA -2.275 54.116 56.400 -0.015 0.000 0.796 112 E CB 2.273 31.974 29.700 0.001 0.000 1.104 112 E HN 0.353 8.707 8.360 -0.009 0.000 0.395 113 T N 1.739 116.256 114.554 -0.063 0.000 2.882 113 T HA 0.056 4.366 4.350 -0.068 0.000 0.287 113 T C 0.641 175.345 174.700 0.006 0.000 1.014 113 T CA -0.813 61.244 62.100 -0.072 0.000 1.049 113 T CB 1.632 70.373 68.868 -0.211 0.000 1.001 113 T HN 0.691 8.762 8.240 -0.081 0.120 0.525 114 V N 1.753 121.684 119.914 0.029 0.000 2.490 114 V HA -0.327 3.833 4.120 0.066 0.000 0.250 114 V C 1.904 178.038 176.094 0.066 0.000 1.061 114 V CA 3.787 66.121 62.300 0.056 0.000 1.064 114 V CB -0.303 31.548 31.823 0.048 0.000 0.670 114 V HN 0.346 8.542 8.190 0.011 0.000 0.461 115 E N 0.201 120.457 120.200 0.093 0.000 2.085 115 E HA -0.194 4.216 4.350 0.101 0.000 0.194 115 E C 0.713 177.384 176.600 0.118 0.000 0.994 115 E CA 1.299 57.778 56.400 0.131 0.000 0.801 115 E CB 0.544 30.393 29.700 0.249 0.000 0.743 115 E HN 0.170 8.467 8.360 0.092 0.119 0.453 116 G N -2.521 106.347 108.800 0.113 0.000 2.565 116 G HA2 -0.158 3.850 3.960 0.080 0.000 0.156 116 G HA3 -0.158 3.905 3.960 0.061 -0.066 0.156 116 G C -1.497 173.467 174.900 0.106 0.000 1.074 116 G CA -0.333 44.819 45.100 0.087 0.000 0.804 116 G HN -0.517 7.752 8.290 0.107 0.085 0.496 117 G N -1.548 107.307 108.800 0.091 0.000 2.662 117 G HA2 0.251 4.351 3.960 0.234 0.000 0.302 117 G HA3 0.251 4.284 3.960 0.122 0.000 0.302 117 G C -2.475 172.433 174.900 0.013 0.000 1.389 117 G CA -0.608 44.559 45.100 0.111 0.000 0.998 117 G HN -0.530 7.857 8.290 0.042 -0.072 0.502 118 A N 5.415 128.255 122.820 0.033 0.000 2.274 118 A HA 0.764 5.309 4.320 -0.007 -0.229 0.309 118 A C -0.745 176.843 177.584 0.007 0.000 1.226 118 A CA -0.810 51.233 52.037 0.009 0.000 0.853 118 A CB 0.927 19.938 19.000 0.017 0.000 1.146 118 A HN 0.251 8.438 8.150 0.061 0.000 0.518 119 L N 4.291 125.505 121.223 -0.014 0.000 2.331 119 L HA 0.340 4.677 4.340 -0.003 0.000 0.268 119 L C -0.556 176.306 176.870 -0.013 0.000 1.015 119 L CA -1.928 52.901 54.840 -0.018 0.000 0.807 119 L CB 3.597 45.626 42.059 -0.049 0.000 1.293 119 L HN 0.662 8.768 8.230 -0.016 0.114 0.451 120 T N 3.248 117.787 114.554 -0.025 0.000 2.761 120 T HA -0.051 4.290 4.350 -0.015 0.000 0.296 120 T C -0.966 173.714 174.700 -0.034 0.000 0.934 120 T CA 2.255 64.340 62.100 -0.025 0.000 1.091 120 T CB 0.337 69.189 68.868 -0.027 0.000 0.896 120 T HN 0.279 8.499 8.240 -0.033 0.000 0.515 121 V N 10.127 130.027 119.914 -0.024 0.000 2.419 121 V HA 0.354 4.569 4.120 -0.042 -0.120 0.287 121 V C -1.765 174.314 176.094 -0.026 0.000 1.017 121 V CA -0.715 61.568 62.300 -0.028 0.000 0.844 121 V CB 1.582 33.395 31.823 -0.017 0.000 1.011 121 V HN 0.771 8.952 8.190 -0.017 0.000 0.429 122 T N 9.005 123.541 114.554 -0.030 0.000 2.952 122 T HA 0.465 4.889 4.350 -0.017 -0.084 0.305 122 T C -1.389 173.299 174.700 -0.021 0.000 1.064 122 T CA -0.794 61.294 62.100 -0.021 0.000 1.008 122 T CB 3.225 72.082 68.868 -0.017 0.000 1.078 122 T HN 0.098 8.315 8.240 -0.038 0.000 0.459 123 L N 3.378 124.593 121.223 -0.013 0.000 2.425 123 L HA 0.209 4.544 4.340 -0.009 0.000 0.215 123 L C 0.063 176.932 176.870 -0.002 0.000 1.065 123 L CA 1.400 56.236 54.840 -0.006 0.000 0.842 123 L CB 0.823 42.882 42.059 0.001 0.000 1.033 123 L HN 0.431 8.655 8.230 -0.010 0.000 0.474 124 E N 0.208 120.407 120.200 -0.002 0.000 2.351 124 E HA -0.247 4.104 4.350 0.002 0.000 0.266 124 E C 0.827 177.425 176.600 -0.002 0.000 1.031 124 E CA 1.213 57.612 56.400 -0.001 0.000 0.911 124 E CB -0.252 29.447 29.700 -0.001 0.000 0.986 124 E HN -0.112 8.246 8.360 -0.004 0.000 0.446 125 G N 5.560 114.360 108.800 -0.001 0.000 2.176 125 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.253 125 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.253 125 G C -1.435 173.464 174.900 -0.002 0.000 0.979 125 G CA -0.314 44.785 45.100 -0.002 0.000 0.641 125 G HN 0.610 8.901 8.290 0.001 0.000 0.530 126 G N -0.984 107.815 108.800 -0.002 0.000 3.162 126 G HA2 -0.093 3.864 3.960 -0.004 0.000 0.599 126 G HA3 -0.093 3.868 3.960 0.002 0.000 0.599 126 G C -3.186 171.710 174.900 -0.007 0.000 1.335 126 G CA -0.614 44.485 45.100 -0.002 0.000 1.091 126 G HN -0.619 7.608 8.290 -0.001 0.062 0.570 127 P HA 0.048 4.690 4.420 -0.016 -0.231 0.267 127 P C -1.821 175.465 177.300 -0.024 0.000 1.328 127 P CA -0.562 62.532 63.100 -0.011 0.000 0.990 127 P CB -0.526 31.177 31.700 0.005 0.000 1.168 128 K N 5.330 125.708 120.400 -0.037 0.000 2.378 128 K HA 0.648 5.082 4.320 -0.056 -0.148 0.252 128 K C -2.230 174.325 176.600 -0.075 0.000 0.931 128 K CA -1.286 54.970 56.287 -0.052 0.000 0.794 128 K CB 4.310 36.786 32.500 -0.040 0.000 1.181 128 K HN 0.801 9.031 8.250 -0.033 0.000 0.425 129 V N 5.625 125.467 119.914 -0.119 0.000 2.376 129 V HA 0.870 5.189 4.120 -0.110 -0.265 0.287 129 V C 0.007 175.998 176.094 -0.172 0.000 1.015 129 V CA -2.384 59.818 62.300 -0.163 0.000 0.834 129 V CB 0.638 32.291 31.823 -0.284 0.000 1.001 129 V HN 1.118 9.114 8.190 -0.128 0.118 0.428 130 N N 8.673 127.308 118.700 -0.108 0.000 2.753 130 N HA -0.338 4.374 4.740 -0.045 0.000 0.251 130 N C -0.509 174.963 175.510 -0.062 0.000 1.097 130 N CA 1.366 54.371 53.050 -0.075 0.000 0.786 130 N CB -0.324 38.113 38.487 -0.082 0.000 1.137 130 N HN 0.969 9.184 8.380 -0.083 0.114 0.566 131 G N -5.007 103.753 108.800 -0.066 0.000 2.148 131 G HA2 -0.282 3.654 3.960 -0.041 0.000 0.203 131 G HA3 -0.282 3.653 3.960 -0.042 0.000 0.203 131 G C -1.140 173.723 174.900 -0.062 0.000 0.993 131 G CA -0.213 44.856 45.100 -0.052 0.000 0.661 131 G HN 0.102 8.284 8.290 -0.074 0.063 0.518 132 V N 0.227 120.086 119.914 -0.091 0.000 2.769 132 V HA 0.338 4.418 4.120 -0.066 0.000 0.312 132 V C -2.293 173.748 176.094 -0.088 0.000 1.061 132 V CA -2.118 60.127 62.300 -0.093 0.000 0.931 132 V CB 4.069 35.817 31.823 -0.125 0.000 1.010 132 V HN -0.224 7.714 8.190 -0.114 0.183 0.433 133 S N 6.958 122.625 115.700 -0.054 0.000 2.541 133 S HA 0.447 5.035 4.470 -0.040 -0.142 0.283 133 S C -0.645 173.948 174.600 -0.010 0.000 1.196 133 S CA -0.201 57.980 58.200 -0.031 0.000 1.062 133 S CB 1.317 64.510 63.200 -0.012 0.000 1.009 133 S HN 0.389 8.673 8.310 -0.044 0.000 0.502 134 I N 4.520 125.093 120.570 0.005 0.000 2.206 134 I HA 0.117 4.501 4.170 0.080 -0.166 0.292 134 I C 0.182 176.338 176.117 0.065 0.000 1.156 134 I CA -0.749 60.585 61.300 0.057 0.000 1.356 134 I CB -1.373 36.668 38.000 0.068 0.000 1.494 134 I HN 0.356 8.559 8.210 -0.011 0.000 0.601 135 S N 5.223 120.960 115.700 0.061 0.000 2.419 135 S HA -0.211 4.283 4.470 0.040 0.000 0.233 135 S C 0.679 175.318 174.600 0.066 0.000 1.016 135 S CA 2.197 60.429 58.200 0.053 0.000 0.974 135 S CB 0.491 63.719 63.200 0.046 0.000 0.786 135 S HN -0.080 8.243 8.310 0.062 0.024 0.492 136 Q N 1.289 121.144 119.800 0.092 0.000 2.560 136 Q HA 0.476 4.863 4.340 0.078 0.000 0.238 136 Q C -2.418 173.658 176.000 0.126 0.000 1.079 136 Q CA -2.949 52.913 55.803 0.099 0.000 0.866 136 Q CB 0.138 28.939 28.738 0.105 0.000 1.153 136 Q HN -0.657 7.659 8.270 0.106 0.018 0.530 137 P HA -0.017 4.526 4.420 0.205 0.000 0.256 137 P C -1.494 175.894 177.300 0.146 0.000 1.688 137 P CA -0.096 63.094 63.100 0.150 0.000 1.162 137 P CB -0.543 31.219 31.700 0.103 0.000 1.870 138 D N 3.180 123.674 120.400 0.157 0.000 2.475 138 D HA 0.012 4.686 4.640 0.056 0.000 0.286 138 D C -0.184 176.108 176.300 -0.014 0.000 1.205 138 D CA -0.604 53.434 54.000 0.063 0.000 1.092 138 D CB 2.893 43.714 40.800 0.035 0.000 1.147 138 D HN -0.207 8.244 8.370 0.194 0.036 0.575 139 V N -3.997 115.806 119.914 -0.185 0.000 4.689 139 V HA -0.028 3.692 4.120 -0.766 -0.059 0.158 139 V C -1.926 174.038 176.094 -0.216 0.000 1.405 139 V CA 1.264 63.384 62.300 -0.300 0.000 0.791 139 V CB 2.090 33.891 31.823 -0.036 0.000 0.887 139 V HN -0.046 8.056 8.190 -0.147 0.000 0.618 140 D N 2.424 122.758 120.400 -0.110 0.000 2.468 140 D HA 0.068 4.659 4.640 -0.082 0.000 0.218 140 D C -0.729 175.528 176.300 -0.072 0.000 1.155 140 D CA -0.442 53.512 54.000 -0.076 0.000 0.924 140 D CB 0.201 40.977 40.800 -0.040 0.000 1.029 140 D HN -0.521 7.891 8.370 -0.079 -0.089 0.515 141 A N 5.274 128.040 122.820 -0.089 0.000 2.240 141 A HA 0.044 4.332 4.320 -0.054 0.000 0.292 141 A C -1.047 176.511 177.584 -0.044 0.000 1.121 141 A CA -0.860 51.137 52.037 -0.067 0.000 0.851 141 A CB 1.586 20.535 19.000 -0.084 0.000 1.167 141 A HN -0.076 8.007 8.150 -0.111 0.000 0.503 142 S N -1.004 114.678 115.700 -0.031 0.000 2.377 142 S HA -0.087 4.371 4.470 -0.020 0.000 0.223 142 S C 1.113 175.700 174.600 -0.021 0.000 1.030 142 S CA 2.196 60.384 58.200 -0.020 0.000 0.970 142 S CB 0.411 63.604 63.200 -0.011 0.000 0.830 142 S HN 0.020 8.804 8.310 -0.030 -0.492 0.473 143 N N -0.733 117.955 118.700 -0.018 0.000 2.463 143 N HA 0.146 4.875 4.740 -0.019 0.000 0.183 143 N C -0.090 175.403 175.510 -0.028 0.000 1.064 143 N CA 0.221 53.263 53.050 -0.013 0.000 0.879 143 N CB 2.526 41.022 38.487 0.014 0.000 1.148 143 N HN -0.001 8.846 8.380 -0.019 -0.479 0.451 144 G N -2.313 106.470 108.800 -0.029 0.000 3.340 144 G HA2 0.583 4.752 3.960 -0.006 0.000 0.176 144 G HA3 0.583 4.515 3.960 -0.072 -0.016 0.176 144 G C -2.535 172.316 174.900 -0.082 0.000 1.103 144 G CA -0.279 44.793 45.100 -0.046 0.000 0.779 144 G HN -0.386 8.151 8.290 -0.028 -0.264 0.673 145 V N -0.571 119.278 119.914 -0.108 0.000 2.760 145 V HA 0.730 4.933 4.120 -0.187 -0.195 0.309 145 V C -1.585 174.342 176.094 -0.278 0.000 1.077 145 V CA -1.715 60.471 62.300 -0.190 0.000 0.910 145 V CB 4.036 35.764 31.823 -0.158 0.000 1.008 145 V HN 0.628 8.657 8.190 -0.082 0.112 0.424 146 I N 6.759 127.103 120.570 -0.377 0.000 2.406 146 I HA 0.404 4.418 4.170 -0.259 0.000 0.290 146 I C -2.444 173.387 176.117 -0.477 0.000 0.999 146 I CA -2.347 58.759 61.300 -0.322 0.000 1.124 146 I CB 3.029 40.927 38.000 -0.170 0.000 1.289 146 I HN 0.367 8.216 8.210 -0.377 0.134 0.441 147 H N 8.736 127.807 119.070 0.002 0.000 2.782 147 H HA 0.336 4.945 4.556 0.089 0.000 0.347 147 H C -1.643 173.780 175.328 0.159 0.000 1.038 147 H CA -1.445 54.659 56.048 0.093 0.000 1.255 147 H CB 3.843 33.692 29.762 0.145 0.000 1.623 147 H HN -0.254 7.993 8.280 -0.055 0.000 0.525 148 V N 4.865 124.950 119.914 0.286 0.000 2.385 148 V HA 0.404 4.970 4.120 0.322 -0.253 0.269 148 V C 0.164 176.402 176.094 0.239 0.000 1.043 148 V CA -1.187 61.285 62.300 0.285 0.000 0.906 148 V CB -0.234 31.752 31.823 0.271 0.000 0.995 148 V HN -0.273 8.073 8.190 0.259 0.000 0.467 149 I N 1.842 122.554 120.570 0.238 0.000 2.612 149 I HA 0.390 4.778 4.170 0.102 -0.157 0.295 149 I C 0.340 176.527 176.117 0.115 0.000 1.011 149 I CA -1.509 59.874 61.300 0.139 0.000 1.326 149 I CB 1.546 39.600 38.000 0.091 0.000 1.427 149 I HN -0.096 8.288 8.210 0.290 0.000 0.537 150 D N 0.043 120.478 120.400 0.058 0.000 2.363 150 D HA 0.168 4.851 4.640 0.073 0.000 0.214 150 D C -0.426 175.872 176.300 -0.004 0.000 1.093 150 D CA -0.151 53.875 54.000 0.043 0.000 0.837 150 D CB 0.705 41.525 40.800 0.034 0.000 0.948 150 D HN -0.158 8.232 8.370 0.034 0.000 0.507 151 G N -1.158 107.626 108.800 -0.027 0.000 2.911 151 G HA2 0.110 4.032 3.960 -0.062 0.000 0.299 151 G HA3 0.110 4.016 3.960 -0.090 0.000 0.299 151 G C -2.336 172.510 174.900 -0.089 0.000 1.283 151 G CA -0.660 44.397 45.100 -0.070 0.000 0.805 151 G HN -0.536 7.667 8.290 -0.008 0.082 0.548 152 V N -2.857 117.002 119.914 -0.092 0.000 2.735 152 V HA 0.327 4.417 4.120 -0.051 0.000 0.310 152 V C -0.926 175.141 176.094 -0.045 0.000 1.061 152 V CA -1.244 61.012 62.300 -0.072 0.000 0.913 152 V CB 1.858 33.620 31.823 -0.101 0.000 1.005 152 V HN -0.205 7.934 8.190 -0.085 0.000 0.428 153 L N 0.221 121.443 121.223 -0.001 0.000 2.563 153 L HA 0.493 4.850 4.340 0.029 0.000 0.259 153 L C -1.653 175.343 176.870 0.210 0.000 1.034 153 L CA -0.387 54.471 54.840 0.031 0.000 0.899 153 L CB -0.306 41.681 42.059 -0.121 0.000 1.159 153 L HN -0.028 8.229 8.230 0.045 0.000 0.456 154 M N 0.667 120.392 119.600 0.210 0.000 2.880 154 M HA 0.361 5.258 4.480 0.695 0.000 0.269 154 M C -2.055 174.210 176.300 -0.060 0.000 1.248 154 M CA -1.426 54.033 55.300 0.264 0.000 0.821 154 M CB 2.844 35.564 32.600 0.200 0.000 1.650 154 M HN -0.403 7.949 8.290 0.104 0.000 0.479 155 P HA -0.149 3.973 4.420 -0.497 0.000 0.210 155 P C -0.596 176.606 177.300 -0.163 0.000 1.185 155 P CA 2.069 64.957 63.100 -0.353 0.000 0.924 155 P CB 0.296 31.813 31.700 -0.305 0.000 0.786 156 G N -4.302 104.436 108.800 -0.104 0.000 2.831 156 G HA2 0.043 3.968 3.960 -0.058 0.000 0.200 156 G HA3 0.043 3.966 3.960 -0.062 0.000 0.200 156 G C -1.733 173.141 174.900 -0.044 0.000 1.130 156 G CA -0.423 44.638 45.100 -0.064 0.000 0.678 156 G HN -0.034 8.195 8.290 -0.100 0.000 0.795 157 A N 0.000 122.797 122.820 -0.038 0.000 2.254 157 A HA 0.000 4.304 4.320 -0.027 0.000 0.244 157 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 157 A CB 0.000 18.986 19.000 -0.022 0.000 0.831 157 A HN 0.000 8.124 8.150 -0.043 0.000 0.486