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 2wyx_1_A DATA FIRST_RESID 29 DATA SEQUENCE VQQQLEALEK SSGGRLGVAL INTADNSQIX LYRADERFAM CSTSKVMAAA DATA SEQUENCE AVLKQSESDK HLLNQRVEIK KSDLVNYNPI AEKHVNGTMT LAELGAAALQ DATA SEQUENCE YSDNTAMNKL IAHLGGPDKV TAFARSLGDE TFRLDRTAPT LNTAIPGDPR DATA SEQUENCE DTTTPLAMAQ TLKNLTLGKA LAETQRAQLV TWLKGNTTGS ASIRAGLPKS DATA SEQUENCE WVVGDKTGSG XDYGTTNDIA VIWPXENHAP LVLVTYFTQP EQKAENRNDI DATA SEQUENCE LAAAAKIVT 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 29 V HA 0.000 4.106 4.120 -0.023 0.000 0.244 29 V C 0.000 176.089 176.094 -0.009 0.000 1.182 29 V CA 0.000 62.294 62.300 -0.011 0.000 1.235 29 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 30 Q N -0.251 119.568 119.800 0.032 0.000 2.119 30 Q HA -0.258 4.147 4.340 0.108 0.000 0.201 30 Q C 2.127 178.166 176.000 0.064 0.000 0.972 30 Q CA 3.071 58.927 55.803 0.089 0.000 0.847 30 Q CB -0.411 28.404 28.738 0.129 0.000 0.903 30 Q HN 0.455 8.747 8.270 0.036 0.000 0.433 31 Q N -0.153 119.669 119.800 0.038 0.000 2.030 31 Q HA -0.303 4.067 4.340 0.051 0.000 0.204 31 Q C 2.589 178.582 176.000 -0.011 0.000 0.986 31 Q CA 4.280 60.099 55.803 0.027 0.000 0.843 31 Q CB -0.611 28.138 28.738 0.019 0.000 0.904 31 Q HN 0.420 8.710 8.270 0.033 0.000 0.420 32 Q N -1.869 117.908 119.800 -0.038 0.000 2.226 32 Q HA -0.257 4.054 4.340 -0.049 0.000 0.204 32 Q C 2.537 178.463 176.000 -0.123 0.000 0.975 32 Q CA 3.066 58.831 55.803 -0.064 0.000 0.866 32 Q CB -0.544 28.158 28.738 -0.061 0.000 0.915 32 Q HN 0.352 8.603 8.270 -0.031 0.000 0.440 33 L N -1.412 119.691 121.223 -0.200 0.000 2.179 33 L HA -0.282 3.848 4.340 -0.351 0.000 0.208 33 L C 1.856 178.463 176.870 -0.438 0.000 1.096 33 L CA 2.520 57.103 54.840 -0.428 0.000 0.779 33 L CB -0.380 41.254 42.059 -0.707 0.000 0.922 33 L HN -0.576 7.442 8.230 -0.166 0.112 0.443 34 E N 0.443 120.538 120.200 -0.174 0.000 2.047 34 E HA -0.333 4.139 4.350 0.204 0.000 0.191 34 E C 2.296 178.921 176.600 0.042 0.000 0.987 34 E CA 3.010 59.453 56.400 0.073 0.000 0.799 34 E CB 0.166 29.963 29.700 0.161 0.000 0.752 34 E HN -0.414 7.794 8.360 -0.103 0.090 0.449 35 A N -0.876 121.945 122.820 0.001 0.000 1.898 35 A HA -0.199 4.134 4.320 0.022 0.000 0.216 35 A C 2.002 179.579 177.584 -0.012 0.000 1.181 35 A CA 3.100 55.138 52.037 0.002 0.000 0.620 35 A CB -0.630 18.365 19.000 -0.009 0.000 0.819 35 A HN -0.223 7.920 8.150 -0.012 0.000 0.442 36 L N -1.701 119.489 121.223 -0.055 0.000 2.201 36 L HA -0.182 4.125 4.340 -0.055 0.000 0.212 36 L C 1.567 178.420 176.870 -0.027 0.000 1.105 36 L CA 2.635 57.435 54.840 -0.067 0.000 0.775 36 L CB -0.172 41.813 42.059 -0.122 0.000 0.913 36 L HN -0.392 7.788 8.230 -0.084 0.000 0.440 37 E N -0.888 119.319 120.200 0.011 0.000 2.051 37 E HA -0.324 4.135 4.350 0.182 0.000 0.189 37 E C 1.732 178.421 176.600 0.149 0.000 0.979 37 E CA 2.603 59.082 56.400 0.133 0.000 0.803 37 E CB 0.093 29.909 29.700 0.192 0.000 0.761 37 E HN -0.602 7.723 8.360 -0.017 0.024 0.451 38 K N -0.588 119.876 120.400 0.106 0.000 2.026 38 K HA -0.289 4.097 4.320 0.109 0.000 0.208 38 K C 2.888 179.537 176.600 0.082 0.000 1.048 38 K CA 2.687 59.031 56.287 0.095 0.000 0.929 38 K CB -0.276 32.268 32.500 0.074 0.000 0.713 38 K HN -0.349 7.954 8.250 0.088 0.000 0.439 39 S N -1.817 113.919 115.700 0.059 0.000 2.423 39 S HA -0.222 4.275 4.470 0.045 0.000 0.231 39 S C 1.345 175.984 174.600 0.065 0.000 1.014 39 S CA 2.700 60.928 58.200 0.046 0.000 0.965 39 S CB -0.668 62.544 63.200 0.020 0.000 0.785 39 S HN -0.088 8.251 8.310 0.048 0.000 0.495 40 S N -1.966 113.790 115.700 0.093 0.000 2.489 40 S HA -0.088 4.434 4.470 0.086 0.000 0.228 40 S C 1.058 175.796 174.600 0.230 0.000 0.995 40 S CA 0.724 59.008 58.200 0.139 0.000 0.934 40 S CB 0.136 63.414 63.200 0.130 0.000 0.771 40 S HN -0.911 7.312 8.310 0.097 0.144 0.522 41 G N 1.017 109.928 108.800 0.184 0.000 2.184 41 G HA2 -0.324 3.704 3.960 0.113 0.000 0.264 41 G HA3 -0.324 3.715 3.960 0.131 0.000 0.264 41 G C -0.187 174.801 174.900 0.146 0.000 0.975 41 G CA 0.562 45.750 45.100 0.147 0.000 0.642 41 G HN -0.489 7.852 8.290 0.157 0.043 0.536 42 G N -0.801 108.142 108.800 0.237 0.000 3.107 42 G HA2 0.581 4.486 3.960 -0.092 0.000 0.232 42 G HA3 0.581 4.380 3.960 -0.368 -0.059 0.232 42 G C -2.228 172.709 174.900 0.063 0.000 1.339 42 G CA -1.333 43.749 45.100 -0.030 0.000 1.033 42 G HN -0.715 7.750 8.290 0.396 0.062 0.567 43 R N -0.205 120.228 120.500 -0.111 0.000 2.494 43 R HA 0.255 4.906 4.340 0.259 -0.154 0.305 43 R C -2.059 174.499 176.300 0.431 0.000 0.959 43 R CA -1.066 55.146 56.100 0.187 0.000 0.864 43 R CB 3.470 33.840 30.300 0.117 0.000 1.159 43 R HN 0.370 8.390 8.270 -0.416 0.000 0.446 44 L N 7.321 128.885 121.223 0.567 0.000 2.356 44 L HA 0.575 5.394 4.340 0.568 -0.138 0.277 44 L C -2.137 175.010 176.870 0.460 0.000 0.996 44 L CA -1.319 53.841 54.840 0.533 0.000 0.822 44 L CB 3.519 45.813 42.059 0.391 0.000 1.256 44 L HN -0.309 8.490 8.230 0.549 -0.239 0.413 45 G N 4.938 113.773 108.800 0.059 0.000 2.461 45 G HA2 0.661 4.986 3.960 0.278 0.000 0.323 45 G HA3 0.661 4.411 3.960 -0.350 0.000 0.323 45 G C -2.627 172.242 174.900 -0.053 0.000 1.229 45 G CA -1.369 43.723 45.100 -0.013 0.000 0.941 45 G HN 0.142 8.339 8.290 -0.156 0.000 0.477 46 V N 3.267 123.218 119.914 0.062 0.000 2.925 46 V HA 0.971 5.273 4.120 -0.110 -0.248 0.311 46 V C -2.360 173.729 176.094 -0.010 0.000 1.104 46 V CA -2.158 60.130 62.300 -0.021 0.000 0.954 46 V CB 4.996 36.822 31.823 0.005 0.000 1.022 46 V HN 0.204 8.496 8.190 0.170 0.000 0.427 47 A N 4.982 127.762 122.820 -0.067 0.000 2.530 47 A HA 0.683 5.184 4.320 -0.009 -0.187 0.279 47 A C -2.421 175.127 177.584 -0.060 0.000 1.109 47 A CA -1.022 50.990 52.037 -0.041 0.000 0.763 47 A CB 2.830 21.808 19.000 -0.038 0.000 1.257 47 A HN 0.305 8.387 8.150 -0.114 0.000 0.424 48 L N 5.758 126.957 121.223 -0.041 0.000 2.272 48 L HA 0.771 5.276 4.340 -0.066 -0.205 0.289 48 L C -1.817 175.022 176.870 -0.052 0.000 1.032 48 L CA -1.414 53.396 54.840 -0.051 0.000 0.810 48 L CB 2.660 44.696 42.059 -0.039 0.000 1.205 48 L HN -0.178 8.037 8.230 -0.025 0.000 0.422 49 I N 6.686 127.214 120.570 -0.070 0.000 2.359 49 I HA 0.206 4.341 4.170 -0.057 0.000 0.294 49 I C -1.916 174.147 176.117 -0.090 0.000 0.987 49 I CA -0.729 60.528 61.300 -0.072 0.000 1.225 49 I CB 1.882 39.836 38.000 -0.077 0.000 1.366 49 I HN 0.663 8.824 8.210 -0.082 0.000 0.466 50 N N 6.630 125.281 118.700 -0.081 0.000 2.546 50 N HA 0.380 5.049 4.740 -0.118 0.000 0.238 50 N C 0.637 176.091 175.510 -0.093 0.000 0.984 50 N CA -1.454 51.538 53.050 -0.097 0.000 0.935 50 N CB 0.780 39.217 38.487 -0.083 0.000 1.122 50 N HN -0.118 8.222 8.380 -0.067 0.000 0.510 51 T N 1.713 116.198 114.554 -0.114 0.000 3.051 51 T HA -0.263 4.037 4.350 -0.084 0.000 0.269 51 T C 0.965 175.622 174.700 -0.072 0.000 1.127 51 T CA 2.286 64.328 62.100 -0.097 0.000 1.107 51 T CB 0.042 68.837 68.868 -0.122 0.000 0.898 51 T HN 0.131 8.286 8.240 -0.142 0.000 0.517 52 A N 2.285 125.062 122.820 -0.071 0.000 1.884 52 A HA -0.232 4.067 4.320 -0.035 0.000 0.219 52 A C 0.777 178.339 177.584 -0.036 0.000 1.197 52 A CA 2.502 54.512 52.037 -0.045 0.000 0.637 52 A CB -0.182 18.792 19.000 -0.044 0.000 0.827 52 A HN -0.300 7.976 8.150 -0.086 -0.178 0.450 53 D N -6.506 113.870 120.400 -0.041 0.000 2.563 53 D HA 0.020 4.644 4.640 -0.027 0.000 0.237 53 D C -0.509 175.771 176.300 -0.033 0.000 1.282 53 D CA -1.353 52.628 54.000 -0.032 0.000 0.816 53 D CB 0.594 41.377 40.800 -0.028 0.000 1.066 53 D HN -0.653 7.688 8.370 -0.049 0.000 0.501 54 N N -1.617 117.059 118.700 -0.041 0.000 2.708 54 N HA -0.415 4.296 4.740 -0.047 0.000 0.251 54 N C -0.903 174.587 175.510 -0.034 0.000 1.123 54 N CA 1.323 54.349 53.050 -0.040 0.000 0.739 54 N CB -0.647 37.821 38.487 -0.032 0.000 1.113 54 N HN -0.042 8.309 8.380 -0.048 0.000 0.561 55 S N -1.259 114.420 115.700 -0.035 0.000 2.565 55 S HA 0.028 4.484 4.470 -0.023 0.000 0.276 55 S C -0.935 173.647 174.600 -0.029 0.000 1.326 55 S CA 0.626 58.809 58.200 -0.029 0.000 1.045 55 S CB 1.307 64.490 63.200 -0.028 0.000 0.918 55 S HN -0.876 7.564 8.310 -0.040 -0.153 0.505 56 Q N 2.357 122.145 119.800 -0.019 0.000 2.309 56 Q HA 0.784 5.303 4.340 -0.023 -0.193 0.264 56 Q C -0.130 175.867 176.000 -0.005 0.000 1.008 56 Q CA -1.407 54.386 55.803 -0.015 0.000 0.853 56 Q CB 3.272 32.004 28.738 -0.010 0.000 1.314 56 Q HN 0.065 8.326 8.270 -0.015 0.000 0.448 60 Y N 1.715 122.029 120.300 0.025 0.000 2.307 60 Y HA 0.251 4.829 4.550 0.048 0.000 0.323 60 Y C -0.684 175.270 175.900 0.090 0.000 1.100 60 Y CA 0.198 58.327 58.100 0.048 0.000 1.140 60 Y CB 3.390 41.874 38.460 0.039 0.000 1.159 60 Y HN 0.268 8.665 8.280 0.195 0.000 0.436 61 R N 2.398 122.755 120.500 -0.239 0.000 3.610 61 R HA -0.463 3.834 4.340 -0.071 0.000 0.274 61 R C -0.846 175.546 176.300 0.155 0.000 1.123 61 R CA 1.563 57.645 56.100 -0.029 0.000 0.747 61 R CB -1.901 28.448 30.300 0.080 0.000 1.149 61 R HN 0.648 8.682 8.270 -0.394 0.000 0.471 62 A N -3.069 119.811 122.820 0.101 0.000 2.206 62 A HA -0.127 4.280 4.320 0.145 0.000 0.211 62 A C 0.176 177.837 177.584 0.128 0.000 1.158 62 A CA 2.237 54.345 52.037 0.119 0.000 0.761 62 A CB -0.056 18.986 19.000 0.070 0.000 0.801 62 A HN 0.185 8.364 8.150 0.056 0.004 0.473 63 D N -5.490 114.970 120.400 0.101 0.000 2.395 63 D HA 0.141 4.834 4.640 0.090 0.000 0.213 63 D C -0.362 175.985 176.300 0.079 0.000 1.110 63 D CA -0.381 53.667 54.000 0.081 0.000 0.835 63 D CB 0.330 41.152 40.800 0.037 0.000 0.965 63 D HN 0.109 8.475 8.370 0.078 0.050 0.505 64 E N 0.142 120.417 120.200 0.124 0.000 2.319 64 E HA 0.099 4.434 4.350 -0.025 0.000 0.268 64 E C -1.008 175.641 176.600 0.082 0.000 1.050 64 E CA -0.467 55.957 56.400 0.040 0.000 0.878 64 E CB 1.221 30.906 29.700 -0.024 0.000 1.066 64 E HN -0.783 7.580 8.360 0.181 0.105 0.406 65 R N 0.061 120.498 120.500 -0.105 0.000 2.410 65 R HA 0.142 4.696 4.340 0.095 -0.157 0.288 65 R C -0.599 175.533 176.300 -0.279 0.000 1.051 65 R CA 0.115 56.176 56.100 -0.066 0.000 1.021 65 R CB 1.405 31.649 30.300 -0.093 0.000 1.032 65 R HN 0.370 8.540 8.270 -0.166 0.000 0.481 66 F N 0.744 120.638 119.950 -0.093 0.000 2.613 66 F HA 0.165 4.606 4.527 -0.144 0.000 0.310 66 F C -1.629 174.012 175.800 -0.266 0.000 1.085 66 F CA -1.536 56.357 58.000 -0.178 0.000 0.945 66 F CB 4.604 43.478 39.000 -0.210 0.000 1.298 66 F HN -0.155 8.242 8.300 0.161 0.000 0.455 67 A N 0.689 123.466 122.820 -0.072 0.000 2.440 67 A HA 0.050 4.447 4.320 -0.130 -0.154 0.251 67 A C -0.907 176.551 177.584 -0.210 0.000 1.089 67 A CA 0.117 52.079 52.037 -0.126 0.000 0.779 67 A CB 0.673 19.617 19.000 -0.093 0.000 1.022 67 A HN 0.351 8.474 8.150 -0.046 0.000 0.492 68 M N 1.858 121.350 119.600 -0.181 0.000 2.435 68 M HA 0.030 4.260 4.480 -0.418 0.000 0.265 68 M C 0.809 177.064 176.300 -0.074 0.000 1.104 68 M CA 2.568 57.753 55.300 -0.191 0.000 1.140 68 M CB 1.333 33.916 32.600 -0.029 0.000 1.372 68 M HN -0.298 7.911 8.290 -0.135 0.000 0.456 69 C N -3.239 116.038 119.300 -0.039 0.000 0.168 69 C HA -0.531 4.061 4.460 0.001 -0.132 0.017 69 C C 1.535 176.546 174.990 0.036 0.000 0.171 69 C CA 1.296 60.315 59.018 0.002 0.000 0.499 69 C CB -1.207 26.538 27.740 0.008 0.000 3.212 69 C HN -0.064 8.135 8.230 -0.052 0.000 1.118 70 S N 0.527 116.250 115.700 0.038 0.000 2.603 70 S HA -0.064 4.440 4.470 0.057 0.000 0.229 70 S C 1.906 176.560 174.600 0.089 0.000 0.972 70 S CA 3.022 61.252 58.200 0.051 0.000 0.935 70 S CB 0.084 63.292 63.200 0.012 0.000 0.769 70 S HN 0.591 8.916 8.310 0.024 0.000 0.536 71 T N -0.504 114.123 114.554 0.120 0.000 2.915 71 T HA -0.259 4.180 4.350 0.147 0.000 0.269 71 T C 1.448 176.265 174.700 0.194 0.000 1.071 71 T CA 2.879 65.081 62.100 0.169 0.000 1.132 71 T CB -0.104 68.919 68.868 0.260 0.000 0.878 71 T HN -0.636 7.620 8.240 0.112 0.052 0.479 72 S N 0.542 116.362 115.700 0.200 0.000 2.420 72 S HA -0.362 4.350 4.470 0.403 0.000 0.237 72 S C 1.340 176.074 174.600 0.223 0.000 1.023 72 S CA 2.694 61.060 58.200 0.277 0.000 0.991 72 S CB -0.285 63.049 63.200 0.223 0.000 0.792 72 S HN -0.328 8.069 8.310 0.162 0.010 0.488 73 K N 1.982 122.473 120.400 0.152 0.000 2.097 73 K HA -0.211 4.181 4.320 0.120 0.000 0.206 73 K C 2.029 178.700 176.600 0.118 0.000 1.049 73 K CA 2.787 59.145 56.287 0.118 0.000 0.933 73 K CB -0.118 32.432 32.500 0.083 0.000 0.717 73 K HN -0.791 7.386 8.250 0.135 0.154 0.442 74 V N -0.573 119.417 119.914 0.127 0.000 2.277 74 V HA -0.596 3.610 4.120 0.143 0.000 0.255 74 V C 1.905 178.074 176.094 0.124 0.000 1.074 74 V CA 3.566 65.945 62.300 0.131 0.000 1.058 74 V CB -0.223 31.676 31.823 0.126 0.000 0.656 74 V HN -0.629 7.639 8.190 0.129 0.000 0.449 75 M N -1.314 118.343 119.600 0.095 0.000 2.067 75 M HA -0.370 4.160 4.480 0.084 0.000 0.260 75 M C 1.519 177.887 176.300 0.114 0.000 1.069 75 M CA 2.378 57.715 55.300 0.061 0.000 1.117 75 M CB -0.920 31.582 32.600 -0.164 0.000 1.334 75 M HN -0.690 7.659 8.290 0.107 0.005 0.407 76 A N -1.546 121.345 122.820 0.118 0.000 1.873 76 A HA -0.482 3.881 4.320 0.072 0.000 0.218 76 A C 1.475 179.085 177.584 0.043 0.000 1.193 76 A CA 3.276 55.362 52.037 0.081 0.000 0.629 76 A CB -1.045 18.011 19.000 0.093 0.000 0.826 76 A HN -0.619 7.616 8.150 0.142 0.000 0.447 77 A N -2.784 120.081 122.820 0.075 0.000 1.908 77 A HA -0.353 4.020 4.320 0.088 0.000 0.218 77 A C 1.963 179.636 177.584 0.148 0.000 1.181 77 A CA 2.841 54.950 52.037 0.120 0.000 0.627 77 A CB -0.694 18.401 19.000 0.158 0.000 0.818 77 A HN -0.407 7.794 8.150 0.085 0.000 0.445 78 A N -2.415 120.474 122.820 0.115 0.000 1.902 78 A HA -0.323 4.063 4.320 0.111 0.000 0.217 78 A C 1.816 179.250 177.584 -0.250 0.000 1.181 78 A CA 2.796 54.875 52.037 0.069 0.000 0.623 78 A CB -0.713 18.425 19.000 0.230 0.000 0.818 78 A HN -0.394 7.835 8.150 0.131 0.000 0.443 79 A N -1.494 121.007 122.820 -0.532 0.000 1.902 79 A HA -0.421 2.680 4.320 -2.030 0.000 0.217 79 A C 2.038 179.364 177.584 -0.430 0.000 1.181 79 A CA 3.089 54.510 52.037 -1.027 0.000 0.623 79 A CB -0.631 17.973 19.000 -0.660 0.000 0.818 79 A HN -0.390 7.573 8.150 -0.313 0.000 0.443 80 V N -1.741 118.080 119.914 -0.154 0.000 2.407 80 V HA -0.428 3.706 4.120 0.023 0.000 0.248 80 V C 2.012 178.101 176.094 -0.007 0.000 1.055 80 V CA 3.780 66.073 62.300 -0.012 0.000 1.049 80 V CB -0.048 31.806 31.823 0.051 0.000 0.662 80 V HN -0.657 7.467 8.190 -0.110 0.000 0.455 81 L N -2.852 118.368 121.223 -0.006 0.000 2.217 81 L HA -0.285 4.069 4.340 0.025 0.000 0.211 81 L C 2.055 178.908 176.870 -0.029 0.000 1.107 81 L CA 2.061 56.905 54.840 0.006 0.000 0.783 81 L CB -0.334 41.737 42.059 0.019 0.000 0.919 81 L HN -0.917 7.195 8.230 -0.011 0.111 0.442 82 K N -1.054 119.293 120.400 -0.089 0.000 2.026 82 K HA -0.363 3.961 4.320 0.006 0.000 0.208 82 K C 2.813 179.397 176.600 -0.027 0.000 1.048 82 K CA 2.553 58.807 56.287 -0.055 0.000 0.929 82 K CB -0.608 31.807 32.500 -0.141 0.000 0.713 82 K HN -0.018 8.020 8.250 -0.172 0.109 0.439 83 Q N -1.571 118.204 119.800 -0.041 0.000 2.135 83 Q HA -0.323 4.025 4.340 0.013 0.000 0.204 83 Q C 2.360 178.374 176.000 0.023 0.000 0.981 83 Q CA 3.234 59.044 55.803 0.011 0.000 0.856 83 Q CB -0.061 28.710 28.738 0.055 0.000 0.902 83 Q HN -0.461 7.763 8.270 -0.077 0.000 0.425 84 S N -2.378 113.330 115.700 0.014 0.000 2.507 84 S HA -0.197 4.454 4.470 0.017 -0.171 0.235 84 S C 1.012 175.610 174.600 -0.003 0.000 0.988 84 S CA 2.492 60.698 58.200 0.009 0.000 0.944 84 S CB -0.495 62.707 63.200 0.004 0.000 0.762 84 S HN -0.583 7.622 8.310 0.007 0.109 0.526 85 E N 0.658 120.858 120.200 0.000 0.000 2.208 85 E HA -0.186 4.158 4.350 -0.011 0.000 0.193 85 E C 1.384 177.984 176.600 -0.000 0.000 0.988 85 E CA 2.237 58.636 56.400 -0.002 0.000 0.828 85 E CB 0.102 29.807 29.700 0.009 0.000 0.763 85 E HN -0.580 7.617 8.360 0.004 0.165 0.478 86 S N -4.071 111.635 115.700 0.009 0.000 2.512 86 S HA 0.090 4.564 4.470 0.007 0.000 0.216 86 S C -0.330 174.277 174.600 0.013 0.000 1.006 86 S CA 0.101 58.309 58.200 0.012 0.000 0.915 86 S CB 1.238 64.451 63.200 0.021 0.000 0.824 86 S HN -0.590 7.706 8.310 0.013 0.022 0.497 87 D N 2.556 122.964 120.400 0.013 0.000 2.421 87 D HA 0.143 4.801 4.640 0.029 0.000 0.254 87 D C -0.592 175.704 176.300 -0.006 0.000 1.238 87 D CA -0.605 53.410 54.000 0.026 0.000 0.919 87 D CB 1.834 42.670 40.800 0.061 0.000 1.152 87 D HN -0.750 7.504 8.370 0.011 0.123 0.552 88 K N 5.021 125.373 120.400 -0.079 0.000 2.366 88 K HA -0.048 4.217 4.320 -0.091 0.000 0.198 88 K C 0.316 176.816 176.600 -0.168 0.000 1.044 88 K CA 1.393 57.591 56.287 -0.148 0.000 0.973 88 K CB -0.415 31.956 32.500 -0.215 0.000 0.767 88 K HN 0.476 8.668 8.250 -0.097 0.000 0.475 89 H N -2.315 116.758 119.070 0.005 0.000 2.547 89 H HA 0.060 4.616 4.556 0.000 0.000 0.266 89 H C 0.764 176.090 175.328 -0.002 0.000 0.988 89 H CA 0.819 56.869 56.048 0.002 0.000 1.147 89 H CB 0.372 30.137 29.762 0.005 0.000 1.365 89 H HN -0.626 7.795 8.280 -0.049 -0.171 0.589 90 L N 0.413 121.690 121.223 0.089 0.000 2.005 90 L HA -0.258 4.116 4.340 0.057 0.000 0.207 90 L C 1.466 178.340 176.870 0.006 0.000 1.072 90 L CA 2.671 57.541 54.840 0.049 0.000 0.744 90 L CB -0.105 41.980 42.059 0.044 0.000 0.895 90 L HN -0.855 7.340 8.230 0.059 0.071 0.433 91 L N -4.457 116.776 121.223 0.017 0.000 2.265 91 L HA -0.353 3.998 4.340 0.018 0.000 0.215 91 L C 1.308 178.190 176.870 0.019 0.000 1.117 91 L CA 2.621 57.476 54.840 0.025 0.000 0.782 91 L CB -0.889 41.201 42.059 0.051 0.000 0.914 91 L HN 0.103 8.345 8.230 0.020 0.000 0.441 92 N N -4.103 114.611 118.700 0.023 0.000 2.424 92 N HA -0.068 4.681 4.740 0.015 0.000 0.178 92 N C -0.247 175.265 175.510 0.004 0.000 1.060 92 N CA 0.086 53.148 53.050 0.020 0.000 0.901 92 N CB 0.028 38.538 38.487 0.037 0.000 0.979 92 N HN -0.701 7.664 8.380 0.033 0.035 0.451 93 Q N 2.138 121.937 119.800 -0.003 0.000 2.549 93 Q HA -0.300 4.036 4.340 -0.007 0.000 0.347 93 Q C -0.474 175.504 176.000 -0.036 0.000 1.081 93 Q CA 0.960 56.750 55.803 -0.021 0.000 1.093 93 Q CB 0.642 29.349 28.738 -0.050 0.000 1.067 93 Q HN -0.715 7.451 8.270 0.004 0.107 0.398 94 R N 4.131 124.615 120.500 -0.027 0.000 2.531 94 R HA -0.090 4.224 4.340 -0.043 0.000 0.273 94 R C -0.402 175.878 176.300 -0.033 0.000 1.070 94 R CA -0.090 55.990 56.100 -0.033 0.000 1.112 94 R CB 1.171 31.457 30.300 -0.023 0.000 1.049 94 R HN 0.354 8.613 8.270 -0.019 0.000 0.508 95 V N 1.425 121.316 119.914 -0.038 0.000 2.760 95 V HA 0.338 4.448 4.120 -0.017 0.000 0.309 95 V C -1.622 174.459 176.094 -0.023 0.000 1.077 95 V CA -1.668 60.614 62.300 -0.029 0.000 0.910 95 V CB 4.724 36.522 31.823 -0.041 0.000 1.008 95 V HN -0.087 8.075 8.190 -0.046 0.000 0.424 96 E N 5.235 125.430 120.200 -0.008 0.000 2.301 96 E HA 0.091 4.439 4.350 -0.003 0.000 0.275 96 E C -1.093 175.508 176.600 0.002 0.000 1.030 96 E CA -0.451 55.948 56.400 -0.002 0.000 0.852 96 E CB 1.504 31.206 29.700 0.003 0.000 1.060 96 E HN 0.298 8.656 8.360 -0.003 0.000 0.401 97 I N 3.812 124.387 120.570 0.008 0.000 2.355 97 I HA 0.226 4.402 4.170 0.010 0.000 0.288 97 I C -1.044 175.082 176.117 0.015 0.000 0.999 97 I CA -2.590 58.718 61.300 0.014 0.000 1.163 97 I CB -0.222 37.795 38.000 0.028 0.000 1.316 97 I HN -0.214 8.003 8.210 0.012 0.000 0.454 98 K N 6.151 126.558 120.400 0.011 0.000 2.139 98 K HA 0.414 4.738 4.320 0.008 0.000 0.243 98 K C 0.944 177.547 176.600 0.006 0.000 0.983 98 K CA -1.583 54.709 56.287 0.008 0.000 0.890 98 K CB 1.807 34.312 32.500 0.008 0.000 1.090 98 K HN -0.025 8.524 8.250 0.011 -0.293 0.445 99 K N 2.437 122.839 120.400 0.003 0.000 2.439 99 K HA -0.186 4.133 4.320 -0.001 0.000 0.197 99 K C 0.594 177.196 176.600 0.003 0.000 1.041 99 K CA 2.626 58.913 56.287 0.000 0.000 0.970 99 K CB -0.254 32.244 32.500 -0.003 0.000 0.773 99 K HN 0.719 8.970 8.250 0.003 0.000 0.479 100 S N -4.310 111.393 115.700 0.005 0.000 2.603 100 S HA 0.001 4.475 4.470 0.007 0.000 0.220 100 S C -0.107 174.499 174.600 0.010 0.000 0.967 100 S CA 1.469 59.673 58.200 0.007 0.000 0.920 100 S CB -0.202 63.003 63.200 0.007 0.000 0.773 100 S HN -0.162 8.109 8.310 0.005 0.042 0.529 101 D N 1.484 121.890 120.400 0.011 0.000 2.338 101 D HA 0.097 4.747 4.640 0.016 0.000 0.208 101 D C -0.975 175.334 176.300 0.016 0.000 0.997 101 D CA 0.648 54.657 54.000 0.014 0.000 0.880 101 D CB 1.493 42.301 40.800 0.014 0.000 0.980 101 D HN -0.380 7.818 8.370 0.009 0.178 0.509 102 L N -1.239 119.990 121.223 0.011 0.000 2.490 102 L HA -0.140 4.208 4.340 0.013 0.000 0.274 102 L C 0.627 177.508 176.870 0.019 0.000 1.201 102 L CA 0.774 55.620 54.840 0.011 0.000 0.869 102 L CB -0.160 41.898 42.059 -0.001 0.000 1.123 102 L HN -0.687 7.548 8.230 0.008 0.000 0.484 103 V N -0.863 119.069 119.914 0.030 0.000 6.113 103 V HA 0.258 4.398 4.120 0.034 0.000 0.273 103 V C -0.877 175.247 176.094 0.049 0.000 1.580 103 V CA -1.386 60.938 62.300 0.041 0.000 0.634 103 V CB 1.343 33.198 31.823 0.054 0.000 1.447 103 V HN -0.096 8.318 8.190 0.033 -0.204 0.389 104 N N -1.186 117.560 118.700 0.077 0.000 2.392 104 N HA -0.171 4.609 4.740 0.066 0.000 0.177 104 N C -1.304 174.293 175.510 0.146 0.000 1.066 104 N CA 1.388 54.494 53.050 0.093 0.000 0.895 104 N CB 0.544 39.087 38.487 0.095 0.000 0.988 104 N HN -0.167 8.265 8.380 0.087 0.000 0.457 105 Y N -0.002 120.311 120.300 0.021 0.000 2.475 105 Y HA 0.049 4.613 4.550 0.024 0.000 0.343 105 Y C -2.614 173.302 175.900 0.025 0.000 1.068 105 Y CA -0.786 57.330 58.100 0.026 0.000 1.307 105 Y CB 1.073 39.554 38.460 0.035 0.000 1.097 105 Y HN -0.541 7.852 8.280 0.189 0.000 0.530 106 N N 5.672 124.226 118.700 -0.244 0.000 2.733 106 N HA 0.412 5.234 4.740 -0.085 -0.134 0.271 106 N C -2.094 173.266 175.510 -0.249 0.000 1.720 106 N CA -2.480 50.474 53.050 -0.160 0.000 0.803 106 N CB 0.595 39.049 38.487 -0.056 0.000 1.208 106 N HN 0.231 8.438 8.380 -0.289 0.000 0.498 107 P HA -0.076 4.154 4.420 -0.317 0.000 0.215 107 P C -0.041 177.110 177.300 -0.248 0.000 1.153 107 P CA 2.639 65.544 63.100 -0.326 0.000 0.853 107 P CB 0.462 31.981 31.700 -0.302 0.000 0.788 108 I N -4.128 116.312 120.570 -0.216 0.000 2.512 108 I HA -0.000 4.035 4.170 -0.225 0.000 0.247 108 I C 1.897 178.002 176.117 -0.020 0.000 1.094 108 I CA 0.301 61.495 61.300 -0.177 0.000 1.427 108 I CB -0.585 37.285 38.000 -0.217 0.000 1.149 108 I HN -0.232 8.123 8.210 -0.172 -0.249 0.438 109 A N 0.001 122.818 122.820 -0.006 0.000 1.978 109 A HA -0.207 4.175 4.320 0.102 0.000 0.220 109 A C 2.458 180.052 177.584 0.016 0.000 1.170 109 A CA 2.699 54.760 52.037 0.040 0.000 0.636 109 A CB -0.359 18.648 19.000 0.012 0.000 0.810 109 A HN -0.495 7.885 8.150 -0.030 -0.247 0.448 110 E N -2.431 117.740 120.200 -0.048 0.000 2.153 110 E HA -0.302 4.021 4.350 -0.045 0.000 0.194 110 E C 2.146 178.685 176.600 -0.101 0.000 0.988 110 E CA 2.639 58.999 56.400 -0.067 0.000 0.811 110 E CB -0.643 29.004 29.700 -0.089 0.000 0.746 110 E HN -0.322 7.981 8.360 -0.072 0.013 0.466 111 K N -2.751 117.548 120.400 -0.168 0.000 2.504 111 K HA -0.146 4.026 4.320 -0.247 0.000 0.195 111 K C 0.696 177.007 176.600 -0.482 0.000 1.036 111 K CA 1.495 57.589 56.287 -0.322 0.000 0.984 111 K CB 0.082 32.322 32.500 -0.432 0.000 0.788 111 K HN -0.653 7.504 8.250 -0.155 0.000 0.488 112 H N -3.662 115.372 119.070 -0.060 0.000 2.512 112 H HA 0.218 4.749 4.556 -0.042 0.000 0.276 112 H C -0.460 174.846 175.328 -0.036 0.000 1.126 112 H CA -1.391 54.629 56.048 -0.046 0.000 1.060 112 H CB 0.213 29.947 29.762 -0.047 0.000 1.646 112 H HN -0.696 7.403 8.280 -0.029 0.164 0.571 113 V N 1.241 121.167 119.914 0.020 0.000 2.694 113 V HA -0.617 3.644 4.120 0.021 -0.129 0.306 113 V C 0.006 176.107 176.094 0.011 0.000 1.054 113 V CA 2.783 65.090 62.300 0.011 0.000 1.161 113 V CB -0.033 31.783 31.823 -0.012 0.000 0.916 113 V HN -0.858 7.321 8.190 -0.019 0.000 0.490 114 N N 3.107 121.815 118.700 0.014 0.000 2.951 114 N HA -0.286 4.459 4.740 0.008 0.000 0.213 114 N C -0.708 174.812 175.510 0.018 0.000 0.877 114 N CA 1.986 55.042 53.050 0.010 0.000 1.042 114 N CB -0.788 37.700 38.487 0.001 0.000 1.005 114 N HN 0.318 8.707 8.380 0.015 0.000 0.604 115 G N -1.350 107.471 108.800 0.035 0.000 2.849 115 G HA2 0.266 4.244 3.960 0.031 0.000 0.174 115 G HA3 0.266 4.266 3.960 0.067 0.000 0.174 115 G C -2.345 172.578 174.900 0.038 0.000 1.370 115 G CA -0.943 44.184 45.100 0.045 0.000 1.040 115 G HN -0.510 7.690 8.290 0.044 0.117 0.582 116 T N -4.614 109.957 114.554 0.029 0.000 2.883 116 T HA 0.759 5.205 4.350 -0.014 -0.105 0.296 116 T C -1.527 173.116 174.700 -0.094 0.000 1.117 116 T CA -1.743 60.346 62.100 -0.018 0.000 1.006 116 T CB 3.171 72.026 68.868 -0.021 0.000 1.191 116 T HN -0.083 8.182 8.240 0.043 0.000 0.508 117 M N 1.486 121.011 119.600 -0.125 0.000 2.518 117 M HA 0.525 4.993 4.480 -0.264 -0.146 0.300 117 M C -0.699 175.526 176.300 -0.126 0.000 1.175 117 M CA -1.017 54.160 55.300 -0.205 0.000 0.890 117 M CB 5.287 37.731 32.600 -0.260 0.000 1.710 117 M HN 0.279 8.516 8.290 -0.089 0.000 0.453 118 T N -2.138 112.348 114.554 -0.114 0.000 2.882 118 T HA 0.556 5.081 4.350 -0.069 -0.217 0.287 118 T C 1.760 176.411 174.700 -0.081 0.000 1.014 118 T CA -1.851 60.204 62.100 -0.074 0.000 1.049 118 T CB 2.078 70.922 68.868 -0.041 0.000 1.001 118 T HN 0.291 8.771 8.240 -0.127 -0.316 0.525 119 L N 1.897 123.071 121.223 -0.082 0.000 1.997 119 L HA -0.501 3.772 4.340 -0.111 0.000 0.216 119 L C 1.929 178.778 176.870 -0.036 0.000 1.074 119 L CA 3.923 58.708 54.840 -0.091 0.000 0.763 119 L CB -0.764 41.212 42.059 -0.139 0.000 0.890 119 L HN -0.010 8.168 8.230 -0.086 0.000 0.434 120 A N -3.367 119.481 122.820 0.047 0.000 1.958 120 A HA -0.454 4.070 4.320 0.340 0.000 0.221 120 A C 2.247 179.853 177.584 0.037 0.000 1.178 120 A CA 3.087 55.233 52.037 0.183 0.000 0.642 120 A CB -1.015 18.116 19.000 0.218 0.000 0.816 120 A HN -0.429 7.746 8.150 0.041 0.000 0.453 121 E N -1.356 118.820 120.200 -0.041 0.000 2.072 121 E HA -0.296 4.006 4.350 -0.080 0.000 0.190 121 E C 2.615 179.104 176.600 -0.184 0.000 0.982 121 E CA 2.647 58.983 56.400 -0.108 0.000 0.803 121 E CB -0.054 29.567 29.700 -0.132 0.000 0.755 121 E HN -0.761 7.475 8.360 -0.037 0.102 0.453 122 L N -2.074 119.048 121.223 -0.168 0.000 2.191 122 L HA -0.280 3.978 4.340 -0.137 0.000 0.212 122 L C 2.393 179.117 176.870 -0.244 0.000 1.103 122 L CA 2.592 57.335 54.840 -0.162 0.000 0.769 122 L CB -0.496 41.495 42.059 -0.113 0.000 0.908 122 L HN -0.140 8.005 8.230 -0.142 0.000 0.438 123 G N -2.337 106.219 108.800 -0.407 0.000 2.411 123 G HA2 -0.213 3.504 3.960 -0.405 0.000 0.213 123 G HA3 -0.213 3.266 3.960 -0.802 0.000 0.213 123 G C 0.458 174.721 174.900 -1.063 0.000 1.166 123 G CA 1.083 45.786 45.100 -0.661 0.000 0.802 123 G HN -0.319 7.710 8.290 -0.383 0.031 0.533 124 A N 1.364 123.394 122.820 -1.317 0.000 1.948 124 A HA -0.387 3.018 4.320 -1.524 0.000 0.220 124 A C 1.252 178.618 177.584 -0.364 0.000 1.177 124 A CA 2.988 54.407 52.037 -1.031 0.000 0.636 124 A CB -0.508 18.186 19.000 -0.509 0.000 0.815 124 A HN -0.484 6.959 8.150 -1.178 0.000 0.449 125 A N -3.747 118.948 122.820 -0.209 0.000 2.030 125 A HA -0.163 4.285 4.320 0.214 0.000 0.215 125 A C 1.269 178.876 177.584 0.040 0.000 1.164 125 A CA 1.918 53.971 52.037 0.026 0.000 0.697 125 A CB -0.299 18.691 19.000 -0.016 0.000 0.827 125 A HN -0.354 7.516 8.150 -0.266 0.120 0.457 126 A N -1.522 121.255 122.820 -0.071 0.000 2.066 126 A HA -0.020 4.322 4.320 0.036 0.000 0.218 126 A C 1.146 178.726 177.584 -0.006 0.000 1.157 126 A CA 2.359 54.383 52.037 -0.021 0.000 0.670 126 A CB -0.244 18.722 19.000 -0.056 0.000 0.804 126 A HN -0.331 7.721 8.150 -0.164 0.000 0.453 127 L N -5.335 115.851 121.223 -0.062 0.000 2.500 127 L HA 0.007 4.358 4.340 0.018 0.000 0.219 127 L C 1.091 177.952 176.870 -0.015 0.000 1.057 127 L CA 1.137 55.964 54.840 -0.021 0.000 0.854 127 L CB 0.689 42.727 42.059 -0.035 0.000 1.078 127 L HN -0.665 7.441 8.230 -0.132 0.044 0.480 128 Q N -3.948 115.822 119.800 -0.050 0.000 2.339 128 Q HA -0.076 4.279 4.340 -0.151 -0.105 0.205 128 Q C 1.164 176.952 176.000 -0.353 0.000 0.925 128 Q CA 2.409 58.107 55.803 -0.175 0.000 0.898 128 Q CB 1.781 30.410 28.738 -0.181 0.000 1.013 128 Q HN -0.359 7.884 8.270 -0.045 0.000 0.504 129 Y N -2.056 118.275 120.300 0.051 0.000 2.527 129 Y HA 0.235 4.859 4.550 0.125 0.000 0.247 129 Y C -0.303 175.726 175.900 0.215 0.000 1.138 129 Y CA -1.300 56.871 58.100 0.120 0.000 1.228 129 Y CB 1.916 40.425 38.460 0.082 0.000 1.252 129 Y HN -0.869 7.523 8.280 0.187 0.000 0.531 130 S N -0.088 115.734 115.700 0.204 0.000 3.477 130 S HA -0.433 4.306 4.470 0.102 -0.208 0.371 130 S C -0.914 173.860 174.600 0.291 0.000 0.965 130 S CA 0.567 58.857 58.200 0.151 0.000 1.239 130 S CB -1.032 62.175 63.200 0.011 0.000 0.918 130 S HN -0.075 8.311 8.310 0.126 0.000 0.498 131 D N 0.214 120.785 120.400 0.284 0.000 2.348 131 D HA -0.068 4.811 4.640 0.398 0.000 0.253 131 D C 0.290 176.703 176.300 0.187 0.000 1.161 131 D CA 0.770 54.930 54.000 0.268 0.000 0.876 131 D CB 1.351 42.230 40.800 0.131 0.000 1.160 131 D HN -0.550 7.955 8.370 0.225 0.000 0.459 132 N N 7.083 125.915 118.700 0.219 0.000 2.290 132 N HA -0.154 4.657 4.740 0.118 0.000 0.179 132 N C 1.922 177.486 175.510 0.090 0.000 1.016 132 N CA 2.212 55.347 53.050 0.142 0.000 0.871 132 N CB 0.486 39.068 38.487 0.157 0.000 0.987 132 N HN 0.415 8.968 8.380 0.288 0.000 0.431 133 T N 2.400 117.001 114.554 0.077 0.000 2.665 133 T HA -0.451 3.925 4.350 0.043 0.000 0.268 133 T C 1.155 175.875 174.700 0.033 0.000 1.035 133 T CA 4.552 66.679 62.100 0.044 0.000 1.151 133 T CB -0.043 68.841 68.868 0.027 0.000 0.862 133 T HN -0.414 7.919 8.240 0.086 -0.042 0.438 134 A N 0.626 123.464 122.820 0.030 0.000 1.865 134 A HA -0.294 4.019 4.320 -0.010 0.000 0.217 134 A C 1.865 179.457 177.584 0.013 0.000 1.191 134 A CA 2.903 54.942 52.037 0.004 0.000 0.623 134 A CB -0.777 18.216 19.000 -0.012 0.000 0.826 134 A HN -0.378 8.088 8.150 0.040 -0.291 0.444 135 M N -0.984 118.637 119.600 0.034 0.000 2.089 135 M HA -0.456 4.046 4.480 0.036 0.000 0.257 135 M C 1.641 177.968 176.300 0.046 0.000 1.071 135 M CA 3.111 58.437 55.300 0.043 0.000 1.096 135 M CB -0.179 32.456 32.600 0.060 0.000 1.330 135 M HN -0.400 7.919 8.290 0.048 0.000 0.403 136 N N -3.179 115.548 118.700 0.046 0.000 2.453 136 N HA -0.192 4.577 4.740 0.049 0.000 0.183 136 N C 2.447 177.983 175.510 0.044 0.000 1.041 136 N CA 2.536 55.613 53.050 0.045 0.000 0.900 136 N CB -0.469 38.043 38.487 0.042 0.000 0.961 136 N HN -0.292 8.111 8.380 0.047 0.005 0.443 137 K N -0.058 120.364 120.400 0.037 0.000 2.211 137 K HA -0.066 4.280 4.320 0.044 0.000 0.201 137 K C 1.558 178.196 176.600 0.063 0.000 1.052 137 K CA 2.112 58.421 56.287 0.038 0.000 0.973 137 K CB 0.111 32.618 32.500 0.012 0.000 0.766 137 K HN -0.674 7.451 8.250 0.030 0.143 0.466 138 L N -0.395 120.860 121.223 0.054 0.000 2.072 138 L HA -0.276 4.125 4.340 0.102 0.000 0.205 138 L C 2.083 179.020 176.870 0.111 0.000 1.079 138 L CA 3.005 57.894 54.840 0.082 0.000 0.752 138 L CB -0.161 41.924 42.059 0.043 0.000 0.906 138 L HN -0.750 7.503 8.230 0.037 0.000 0.436 139 I N -1.465 119.154 120.570 0.080 0.000 2.076 139 I HA -0.593 3.620 4.170 0.073 0.000 0.237 139 I C 1.649 177.803 176.117 0.061 0.000 1.059 139 I CA 4.207 65.550 61.300 0.072 0.000 1.317 139 I CB -0.300 37.740 38.000 0.066 0.000 1.037 139 I HN -0.341 7.911 8.210 0.070 0.000 0.398 140 A N -2.061 120.796 122.820 0.062 0.000 1.958 140 A HA -0.419 3.922 4.320 0.035 0.000 0.221 140 A C 1.881 179.499 177.584 0.057 0.000 1.178 140 A CA 3.090 55.158 52.037 0.051 0.000 0.642 140 A CB -0.983 18.048 19.000 0.052 0.000 0.816 140 A HN -0.479 7.708 8.150 0.062 0.000 0.453 141 H N -2.148 116.927 119.070 0.009 0.000 2.423 141 H HA -0.184 4.376 4.556 0.006 0.000 0.297 141 H C 1.704 177.036 175.328 0.006 0.000 1.075 141 H CA 2.552 58.604 56.048 0.006 0.000 1.342 141 H CB 0.070 29.833 29.762 0.002 0.000 1.395 141 H HN -0.570 7.722 8.280 0.190 0.102 0.530 142 L N -2.746 118.382 121.223 -0.159 0.000 2.240 142 L HA -0.099 4.040 4.340 -0.335 0.000 0.211 142 L C 0.952 177.750 176.870 -0.121 0.000 1.106 142 L CA 0.746 55.474 54.840 -0.187 0.000 0.793 142 L CB 0.918 42.956 42.059 -0.034 0.000 0.927 142 L HN -0.370 7.760 8.230 0.012 0.107 0.446 143 G N -4.464 104.298 108.800 -0.063 0.000 2.148 143 G HA2 -0.236 3.707 3.960 -0.029 0.000 0.203 143 G HA3 -0.236 3.696 3.960 -0.046 0.000 0.203 143 G C -0.975 173.924 174.900 -0.002 0.000 0.993 143 G CA -0.478 44.601 45.100 -0.034 0.000 0.661 143 G HN -0.069 8.085 8.290 -0.039 0.112 0.518 144 G N -2.245 106.564 108.800 0.016 0.000 2.312 144 G HA2 -0.086 3.892 3.960 0.030 0.000 0.347 144 G HA3 -0.086 3.889 3.960 0.026 0.000 0.347 144 G C -2.764 172.167 174.900 0.052 0.000 1.564 144 G CA -0.411 44.707 45.100 0.030 0.000 0.981 144 G HN -0.861 7.440 8.290 0.019 0.000 0.678 145 P HA -0.263 4.215 4.420 0.097 0.000 0.216 145 P C -0.044 177.313 177.300 0.095 0.000 1.150 145 P CA 2.340 65.486 63.100 0.076 0.000 0.843 145 P CB 0.320 32.047 31.700 0.046 0.000 0.787 146 D N -7.422 113.019 120.400 0.068 0.000 2.219 146 D HA -0.258 4.426 4.640 0.074 0.000 0.205 146 D C 1.700 178.059 176.300 0.098 0.000 0.970 146 D CA 2.528 56.571 54.000 0.072 0.000 0.851 146 D CB -1.142 39.685 40.800 0.045 0.000 0.943 146 D HN 0.357 8.739 8.370 0.051 0.018 0.488 147 K N -1.502 118.952 120.400 0.090 0.000 2.217 147 K HA -0.125 4.250 4.320 0.092 0.000 0.202 147 K C 2.114 178.809 176.600 0.158 0.000 1.051 147 K CA 1.690 58.034 56.287 0.095 0.000 0.952 147 K CB -0.399 32.129 32.500 0.047 0.000 0.736 147 K HN -0.172 7.979 8.250 0.076 0.144 0.453 148 V N -0.645 119.385 119.914 0.194 0.000 2.488 148 V HA -0.355 3.934 4.120 0.282 0.000 0.246 148 V C 1.502 177.839 176.094 0.405 0.000 1.046 148 V CA 3.754 66.231 62.300 0.295 0.000 1.053 148 V CB -0.173 31.834 31.823 0.306 0.000 0.679 148 V HN -0.488 7.683 8.190 0.172 0.123 0.458 149 T N 2.411 117.196 114.554 0.385 0.000 2.684 149 T HA -0.453 4.265 4.350 0.613 0.000 0.267 149 T C 1.518 176.363 174.700 0.242 0.000 1.036 149 T CA 5.127 67.454 62.100 0.379 0.000 1.148 149 T CB -0.293 68.698 68.868 0.204 0.000 0.863 149 T HN -0.627 7.795 8.240 0.303 0.000 0.436 150 A N 1.123 124.054 122.820 0.184 0.000 1.902 150 A HA -0.247 4.135 4.320 0.103 0.000 0.217 150 A C 1.539 179.210 177.584 0.145 0.000 1.181 150 A CA 2.897 55.015 52.037 0.134 0.000 0.623 150 A CB -0.858 18.211 19.000 0.115 0.000 0.818 150 A HN -0.565 7.692 8.150 0.178 0.000 0.443 151 F N -0.051 119.929 119.950 0.050 0.000 2.120 151 F HA -0.426 4.112 4.527 0.017 0.000 0.300 151 F C 1.154 176.949 175.800 -0.010 0.000 1.095 151 F CA 2.346 60.358 58.000 0.018 0.000 1.249 151 F CB -0.110 38.896 39.000 0.010 0.000 0.995 151 F HN -0.752 7.756 8.300 0.347 0.000 0.480 152 A N -1.161 121.493 122.820 -0.275 0.000 1.940 152 A HA -0.387 3.540 4.320 -0.655 0.000 0.219 152 A C 1.905 179.353 177.584 -0.226 0.000 1.176 152 A CA 2.940 54.746 52.037 -0.385 0.000 0.631 152 A CB -0.701 18.191 19.000 -0.179 0.000 0.814 152 A HN -0.368 7.787 8.150 0.008 0.000 0.446 153 R N -2.548 117.907 120.500 -0.075 0.000 2.120 153 R HA -0.198 4.277 4.340 -0.020 -0.147 0.234 153 R C 3.422 179.674 176.300 -0.079 0.000 1.123 153 R CA 1.942 58.019 56.100 -0.037 0.000 0.975 153 R CB -0.612 29.699 30.300 0.018 0.000 0.866 153 R HN -0.115 8.062 8.270 -0.012 0.086 0.446 154 S N 0.587 116.214 115.700 -0.122 0.000 2.371 154 S HA -0.173 4.268 4.470 -0.048 0.000 0.224 154 S C 1.330 175.843 174.600 -0.146 0.000 1.029 154 S CA 2.867 61.009 58.200 -0.096 0.000 0.978 154 S CB -0.160 63.014 63.200 -0.043 0.000 0.833 154 S HN -0.498 7.595 8.310 -0.150 0.127 0.466 155 L N -1.663 119.390 121.223 -0.284 0.000 2.261 155 L HA -0.184 4.039 4.340 -0.195 0.000 0.216 155 L C 0.640 177.426 176.870 -0.141 0.000 1.114 155 L CA 0.932 55.624 54.840 -0.247 0.000 0.777 155 L CB -0.093 41.735 42.059 -0.385 0.000 0.910 155 L HN -0.719 7.252 8.230 -0.432 0.000 0.440 156 G N -4.140 104.593 108.800 -0.112 0.000 2.134 156 G HA2 -0.258 3.674 3.960 -0.047 0.000 0.209 156 G HA3 -0.258 3.669 3.960 -0.055 0.000 0.209 156 G C -1.080 173.791 174.900 -0.048 0.000 0.993 156 G CA -0.518 44.544 45.100 -0.062 0.000 0.669 156 G HN -0.676 7.363 8.290 -0.121 0.179 0.519 157 D N 1.561 121.923 120.400 -0.064 0.000 2.393 157 D HA 0.107 4.747 4.640 -0.000 0.000 0.232 157 D C -0.704 175.618 176.300 0.036 0.000 1.192 157 D CA -0.782 53.211 54.000 -0.012 0.000 0.882 157 D CB 0.038 40.822 40.800 -0.027 0.000 1.038 157 D HN -0.332 7.975 8.370 -0.105 0.000 0.499 158 E N 5.269 125.492 120.200 0.038 0.000 2.478 158 E HA 0.011 4.385 4.350 0.040 0.000 0.194 158 E C 0.663 177.300 176.600 0.062 0.000 1.045 158 E CA 0.598 57.023 56.400 0.042 0.000 0.868 158 E CB -0.180 29.535 29.700 0.024 0.000 0.885 158 E HN 0.549 8.927 8.360 0.031 0.000 0.505 159 T N -0.081 114.528 114.554 0.092 0.000 3.004 159 T HA 0.049 4.433 4.350 0.058 0.000 0.243 159 T C 0.145 174.913 174.700 0.112 0.000 1.020 159 T CA 2.091 64.246 62.100 0.090 0.000 1.145 159 T CB 1.314 70.243 68.868 0.101 0.000 0.876 159 T HN -0.439 8.065 8.240 0.104 -0.201 0.449 160 F N 5.521 125.487 119.950 0.026 0.000 2.580 160 F HA -0.291 4.263 4.527 0.045 0.000 0.398 160 F C -1.593 174.224 175.800 0.028 0.000 1.023 160 F CA 1.719 59.739 58.000 0.034 0.000 1.188 160 F CB 0.523 39.545 39.000 0.037 0.000 1.005 160 F HN -0.601 8.186 8.300 0.306 -0.303 0.546 161 R N 6.529 126.616 120.500 -0.689 0.000 2.538 161 R HA 0.290 4.374 4.340 -0.427 0.000 0.292 161 R C -2.694 173.155 176.300 -0.751 0.000 1.008 161 R CA -1.916 53.843 56.100 -0.567 0.000 0.896 161 R CB 3.002 33.166 30.300 -0.226 0.000 1.187 161 R HN 0.208 8.072 8.270 -0.677 0.000 0.440 162 L N 3.590 124.470 121.223 -0.571 0.000 2.309 162 L HA 0.225 4.387 4.340 -0.296 0.000 0.282 162 L C -2.317 174.489 176.870 -0.106 0.000 1.036 162 L CA -0.720 53.959 54.840 -0.268 0.000 0.806 162 L CB 3.423 45.467 42.059 -0.025 0.000 1.220 162 L HN -0.273 7.708 8.230 -0.415 0.000 0.429 163 D N 3.697 124.049 120.400 -0.079 0.000 2.448 163 D HA 0.210 4.832 4.640 -0.030 0.000 0.256 163 D C -0.177 176.113 176.300 -0.017 0.000 1.108 163 D CA 0.848 54.822 54.000 -0.043 0.000 0.848 163 D CB 3.227 43.993 40.800 -0.056 0.000 1.281 163 D HN 0.103 8.713 8.370 -0.085 -0.291 0.509 164 R N -1.741 118.751 120.500 -0.014 0.000 2.867 164 R HA 0.351 4.694 4.340 0.005 0.000 0.268 164 R C -1.447 174.864 176.300 0.017 0.000 1.014 164 R CA -1.270 54.831 56.100 0.002 0.000 0.946 164 R CB 3.733 34.031 30.300 -0.004 0.000 1.208 164 R HN -0.424 8.107 8.270 -0.022 -0.274 0.477 165 T N -3.269 111.299 114.554 0.024 0.000 2.862 165 T HA 0.135 4.510 4.350 0.042 0.000 0.276 165 T C -0.593 174.127 174.700 0.033 0.000 0.974 165 T CA -1.849 60.271 62.100 0.034 0.000 0.966 165 T CB 2.088 70.977 68.868 0.035 0.000 1.072 165 T HN -0.029 8.223 8.240 0.021 0.000 0.538 166 A N -0.293 122.552 122.820 0.041 0.000 2.371 166 A HA 0.096 4.438 4.320 0.038 0.000 0.257 166 A C -1.283 176.326 177.584 0.042 0.000 1.089 166 A CA -2.110 49.953 52.037 0.043 0.000 0.794 166 A CB -0.786 18.246 19.000 0.054 0.000 1.029 166 A HN -0.263 8.166 8.150 0.046 -0.252 0.488 167 P HA 0.123 4.566 4.420 0.038 0.000 0.261 167 P C 0.044 177.360 177.300 0.028 0.000 1.352 167 P CA 0.683 63.805 63.100 0.038 0.000 0.891 167 P CB 0.703 32.429 31.700 0.044 0.000 1.383 168 T N -1.861 112.708 114.554 0.025 0.000 3.085 168 T HA -0.111 4.251 4.350 0.021 0.000 0.263 168 T C 1.313 176.020 174.700 0.011 0.000 1.127 168 T CA 2.521 64.632 62.100 0.019 0.000 1.103 168 T CB -0.274 68.603 68.868 0.016 0.000 0.921 168 T HN -0.474 7.722 8.240 0.026 0.059 0.510 169 L N -3.892 117.337 121.223 0.011 0.000 2.675 169 L HA 0.121 4.455 4.340 -0.011 0.000 0.239 169 L C -0.918 175.952 176.870 -0.000 0.000 1.151 169 L CA 0.426 55.266 54.840 -0.001 0.000 0.905 169 L CB -2.012 40.049 42.059 0.003 0.000 1.057 169 L HN -0.749 7.459 8.230 0.016 0.032 0.435 170 N N -1.191 117.515 118.700 0.011 0.000 2.234 170 N HA 0.135 4.881 4.740 0.010 0.000 0.227 170 N C 0.293 175.824 175.510 0.035 0.000 1.151 170 N CA 0.204 53.264 53.050 0.016 0.000 0.865 170 N CB 1.648 40.145 38.487 0.015 0.000 1.066 170 N HN -0.469 7.816 8.380 0.015 0.104 0.515 171 T N -1.193 113.380 114.554 0.031 0.000 2.777 171 T HA -0.151 4.250 4.350 0.086 0.000 0.266 171 T C -0.047 174.706 174.700 0.088 0.000 1.040 171 T CA 2.725 64.864 62.100 0.064 0.000 1.141 171 T CB 0.520 69.415 68.868 0.044 0.000 0.868 171 T HN -0.791 7.403 8.240 0.017 0.056 0.444 172 A N 0.186 123.005 122.820 -0.002 0.000 2.739 172 A HA -0.270 3.992 4.320 -0.096 0.000 0.296 172 A C -1.250 176.184 177.584 -0.249 0.000 1.488 172 A CA 0.323 52.319 52.037 -0.069 0.000 0.746 172 A CB -1.888 17.116 19.000 0.007 0.000 1.047 172 A HN 0.137 8.274 8.150 -0.021 0.000 0.477 173 I N -0.341 120.072 120.570 -0.263 0.000 2.556 173 I HA -0.010 3.644 4.170 -0.860 0.000 0.284 173 I C -1.553 174.294 176.117 -0.451 0.000 1.114 173 I CA -2.387 58.635 61.300 -0.464 0.000 1.418 173 I CB 0.679 38.565 38.000 -0.190 0.000 1.394 173 I HN -0.205 7.910 8.210 -0.159 0.000 0.552 174 P HA -0.097 4.109 4.420 -0.356 0.000 0.260 174 P C 0.171 177.322 177.300 -0.247 0.000 1.185 174 P CA 1.216 64.093 63.100 -0.371 0.000 0.763 174 P CB -0.100 31.406 31.700 -0.323 0.000 0.776 175 G N 3.774 112.442 108.800 -0.220 0.000 2.253 175 G HA2 -0.377 3.483 3.960 -0.166 0.000 0.251 175 G HA3 -0.377 3.495 3.960 -0.147 0.000 0.251 175 G C -0.453 174.361 174.900 -0.142 0.000 0.998 175 G CA -0.216 44.785 45.100 -0.166 0.000 0.621 175 G HN 0.267 8.412 8.290 -0.241 0.000 0.524 176 D N 3.338 123.647 120.400 -0.151 0.000 2.426 176 D HA 0.092 4.670 4.640 -0.103 0.000 0.261 176 D C -0.335 175.892 176.300 -0.121 0.000 1.245 176 D CA -2.397 51.529 54.000 -0.123 0.000 0.917 176 D CB 0.789 41.515 40.800 -0.124 0.000 1.123 176 D HN -0.566 7.611 8.370 -0.176 0.087 0.508 177 P HA -0.045 4.311 4.420 -0.106 0.000 0.229 177 P C -0.067 177.170 177.300 -0.104 0.000 1.160 177 P CA 0.778 63.819 63.100 -0.099 0.000 0.777 177 P CB 0.573 32.225 31.700 -0.080 0.000 0.814 178 R N -0.269 120.172 120.500 -0.097 0.000 2.537 178 R HA -0.167 4.339 4.340 -0.100 -0.227 0.280 178 R C -0.700 175.529 176.300 -0.118 0.000 1.058 178 R CA 0.711 56.752 56.100 -0.098 0.000 1.057 178 R CB 0.097 30.353 30.300 -0.073 0.000 0.973 178 R HN -0.615 7.847 8.270 -0.091 -0.247 0.438 179 D N -1.785 118.524 120.400 -0.150 0.000 2.697 179 D HA -0.389 4.321 4.640 -0.257 -0.225 0.235 179 D C -0.908 175.279 176.300 -0.189 0.000 1.167 179 D CA 1.548 55.437 54.000 -0.185 0.000 0.656 179 D CB -1.962 38.771 40.800 -0.112 0.000 1.025 179 D HN -0.071 8.437 8.370 -0.156 -0.232 0.419 180 T N -7.696 106.730 114.554 -0.213 0.000 2.819 180 T HA 0.823 5.217 4.350 -0.141 -0.128 0.282 180 T C -1.272 173.354 174.700 -0.123 0.000 1.035 180 T CA -2.661 59.349 62.100 -0.150 0.000 1.010 180 T CB 4.292 73.092 68.868 -0.112 0.000 1.267 180 T HN -0.662 7.434 8.240 -0.240 0.000 0.549 181 T N -1.330 113.220 114.554 -0.006 0.000 2.726 181 T HA 0.286 4.687 4.350 0.084 0.000 0.314 181 T C -2.216 172.619 174.700 0.224 0.000 1.836 181 T CA -0.595 61.572 62.100 0.113 0.000 0.999 181 T CB 1.162 70.163 68.868 0.221 0.000 1.800 181 T HN -0.174 8.069 8.240 0.004 0.000 0.507 182 T N -0.410 114.289 114.554 0.241 0.000 2.918 182 T HA 0.817 5.586 4.350 0.371 -0.197 0.283 182 T C -0.299 174.601 174.700 0.334 0.000 1.001 182 T CA -3.067 59.209 62.100 0.293 0.000 1.041 182 T CB 0.988 69.966 68.868 0.182 0.000 1.028 182 T HN 0.146 8.506 8.240 0.200 0.000 0.511 183 P HA -0.205 4.161 4.420 -0.090 0.000 0.215 183 P C 0.688 178.002 177.300 0.023 0.000 1.153 183 P CA 2.753 65.885 63.100 0.053 0.000 0.853 183 P CB 0.071 31.759 31.700 -0.019 0.000 0.788 184 L N -2.819 118.443 121.223 0.065 0.000 2.027 184 L HA -0.282 4.064 4.340 0.009 0.000 0.206 184 L C 1.211 178.107 176.870 0.043 0.000 1.074 184 L CA 2.980 57.842 54.840 0.037 0.000 0.745 184 L CB -0.537 41.548 42.059 0.044 0.000 0.898 184 L HN -0.403 7.879 8.230 0.098 0.007 0.433 185 A N -1.816 121.052 122.820 0.081 0.000 1.940 185 A HA -0.359 3.995 4.320 0.058 0.000 0.219 185 A C 1.729 179.364 177.584 0.085 0.000 1.176 185 A CA 2.997 55.085 52.037 0.085 0.000 0.631 185 A CB -0.599 18.472 19.000 0.119 0.000 0.814 185 A HN -0.580 7.632 8.150 0.104 0.000 0.446 186 M N -1.334 118.334 119.600 0.113 0.000 2.288 186 M HA -0.218 4.327 4.480 0.108 0.000 0.266 186 M C 1.550 177.863 176.300 0.022 0.000 1.072 186 M CA 1.458 56.821 55.300 0.104 0.000 1.132 186 M CB -0.088 32.626 32.600 0.191 0.000 1.386 186 M HN -0.638 7.720 8.290 0.133 0.012 0.432 187 A N -0.399 122.413 122.820 -0.013 0.000 1.933 187 A HA -0.388 3.898 4.320 -0.057 0.000 0.218 187 A C 2.174 179.737 177.584 -0.036 0.000 1.175 187 A CA 3.329 55.340 52.037 -0.044 0.000 0.628 187 A CB -0.698 18.267 19.000 -0.058 0.000 0.814 187 A HN -0.237 7.831 8.150 -0.011 0.075 0.444 188 Q N -3.424 116.364 119.800 -0.020 0.000 2.297 188 Q HA -0.241 4.079 4.340 -0.033 0.000 0.204 188 Q C 2.455 178.436 176.000 -0.031 0.000 0.962 188 Q CA 2.970 58.758 55.803 -0.025 0.000 0.879 188 Q CB 0.301 29.029 28.738 -0.016 0.000 0.947 188 Q HN -0.159 8.107 8.270 -0.007 0.000 0.462 189 T N 1.034 115.571 114.554 -0.028 0.000 3.037 189 T HA -0.053 4.262 4.350 -0.059 0.000 0.252 189 T C 0.886 175.565 174.700 -0.035 0.000 1.073 189 T CA 3.302 65.373 62.100 -0.048 0.000 1.091 189 T CB 0.091 68.919 68.868 -0.068 0.000 0.935 189 T HN -0.762 7.438 8.240 -0.016 0.030 0.488 190 L N 2.266 123.476 121.223 -0.021 0.000 2.179 190 L HA -0.152 4.194 4.340 0.009 0.000 0.208 190 L C 0.616 177.473 176.870 -0.022 0.000 1.096 190 L CA 2.353 57.189 54.840 -0.008 0.000 0.779 190 L CB -0.298 41.755 42.059 -0.009 0.000 0.922 190 L HN 0.060 8.278 8.230 -0.020 0.000 0.443 191 K N -1.107 119.268 120.400 -0.043 0.000 2.116 191 K HA -0.234 4.038 4.320 -0.080 0.000 0.203 191 K C 1.813 178.390 176.600 -0.038 0.000 1.052 191 K CA 2.829 59.080 56.287 -0.060 0.000 0.952 191 K CB -0.536 31.921 32.500 -0.071 0.000 0.729 191 K HN -0.414 7.795 8.250 -0.043 0.014 0.446 192 N N -0.182 118.500 118.700 -0.031 0.000 2.188 192 N HA -0.214 4.513 4.740 -0.021 0.000 0.184 192 N C 2.572 178.080 175.510 -0.002 0.000 1.018 192 N CA 2.852 55.888 53.050 -0.022 0.000 0.858 192 N CB -0.260 38.206 38.487 -0.036 0.000 0.989 192 N HN -0.669 7.690 8.380 -0.035 0.000 0.426 193 L N -2.035 119.193 121.223 0.008 0.000 2.156 193 L HA -0.173 4.197 4.340 0.051 0.000 0.208 193 L C 0.755 177.658 176.870 0.056 0.000 1.095 193 L CA 3.088 57.954 54.840 0.043 0.000 0.770 193 L CB 0.192 42.286 42.059 0.059 0.000 0.914 193 L HN -0.536 7.693 8.230 -0.001 0.000 0.439 194 T N -6.754 107.832 114.554 0.053 0.000 2.990 194 T HA 0.101 4.514 4.350 0.105 0.000 0.250 194 T C 0.510 175.266 174.700 0.093 0.000 1.041 194 T CA 1.412 63.568 62.100 0.094 0.000 1.010 194 T CB 1.325 70.271 68.868 0.130 0.000 1.003 194 T HN -0.619 7.641 8.240 0.033 0.000 0.499 195 L N -1.945 119.300 121.223 0.036 0.000 3.360 195 L HA 0.350 4.728 4.340 0.063 0.000 0.303 195 L C -0.414 176.462 176.870 0.009 0.000 1.218 195 L CA -0.149 54.706 54.840 0.026 0.000 1.059 195 L CB 2.419 44.457 42.059 -0.034 0.000 1.468 195 L HN -0.137 8.103 8.230 0.016 0.000 0.614 196 G N -1.107 107.696 108.800 0.005 0.000 3.259 196 G HA2 0.316 4.274 3.960 -0.002 0.000 0.178 196 G HA3 0.316 4.270 3.960 -0.010 0.000 0.178 196 G C -0.975 173.927 174.900 0.004 0.000 1.129 196 G CA -0.365 44.734 45.100 -0.002 0.000 0.816 196 G HN -0.805 7.407 8.290 0.010 0.084 0.634 197 K N -0.837 119.562 120.400 -0.002 0.000 2.444 197 K HA -0.039 4.283 4.320 0.004 0.000 0.193 197 K C 0.306 176.911 176.600 0.008 0.000 1.024 197 K CA 0.868 57.156 56.287 0.001 0.000 1.077 197 K CB -0.314 32.183 32.500 -0.005 0.000 0.833 197 K HN 0.302 8.547 8.250 -0.008 0.000 0.517 198 A N -1.517 121.309 122.820 0.010 0.000 1.972 198 A HA -0.167 4.158 4.320 0.008 0.000 0.219 198 A C -1.145 176.480 177.584 0.068 0.000 1.169 198 A CA 2.167 54.218 52.037 0.025 0.000 0.635 198 A CB 0.649 19.660 19.000 0.017 0.000 0.810 198 A HN -0.447 7.648 8.150 0.007 0.059 0.446 199 L N -7.397 113.858 121.223 0.053 0.000 2.434 199 L HA 0.520 5.006 4.340 0.065 -0.107 0.260 199 L C -1.105 175.779 176.870 0.024 0.000 0.983 199 L CA -2.001 52.870 54.840 0.052 0.000 0.820 199 L CB 4.202 46.294 42.059 0.054 0.000 1.361 199 L HN -0.824 7.429 8.230 0.039 0.000 0.410 200 A N -0.005 122.825 122.820 0.016 0.000 2.409 200 A HA -0.060 4.262 4.320 0.004 0.000 0.246 200 A C 0.445 178.023 177.584 -0.010 0.000 1.099 200 A CA -0.265 51.773 52.037 0.002 0.000 0.789 200 A CB 0.967 19.966 19.000 -0.002 0.000 1.053 200 A HN 0.060 8.500 8.150 0.021 -0.276 0.503 201 E N -0.123 120.068 120.200 -0.016 0.000 2.077 201 E HA -0.325 4.015 4.350 -0.016 0.000 0.193 201 E C 2.107 178.681 176.600 -0.043 0.000 0.989 201 E CA 3.715 60.102 56.400 -0.023 0.000 0.800 201 E CB -0.572 29.115 29.700 -0.022 0.000 0.746 201 E HN 0.616 8.967 8.360 -0.014 0.000 0.452 202 T N -0.587 113.937 114.554 -0.050 0.000 2.857 202 T HA -0.278 4.025 4.350 -0.078 0.000 0.266 202 T C 2.199 176.837 174.700 -0.104 0.000 1.048 202 T CA 3.976 66.032 62.100 -0.073 0.000 1.139 202 T CB -0.413 68.416 68.868 -0.065 0.000 0.874 202 T HN -0.097 8.118 8.240 -0.042 0.000 0.455 203 Q N 1.014 120.764 119.800 -0.084 0.000 2.020 203 Q HA -0.267 3.985 4.340 -0.146 0.000 0.198 203 Q C 1.848 177.782 176.000 -0.109 0.000 0.974 203 Q CA 3.491 59.232 55.803 -0.103 0.000 0.829 203 Q CB -0.572 28.136 28.738 -0.050 0.000 0.894 203 Q HN -0.550 7.678 8.270 -0.060 0.006 0.433 204 R N 0.551 121.018 120.500 -0.055 0.000 2.139 204 R HA -0.369 3.963 4.340 -0.013 0.000 0.243 204 R C 2.098 178.363 176.300 -0.058 0.000 1.145 204 R CA 3.324 59.405 56.100 -0.031 0.000 0.976 204 R CB -0.091 30.208 30.300 -0.000 0.000 0.866 204 R HN -0.142 8.106 8.270 -0.036 0.000 0.449 205 A N -1.618 121.147 122.820 -0.093 0.000 1.854 205 A HA -0.275 3.989 4.320 -0.092 0.000 0.214 205 A C 1.722 179.179 177.584 -0.212 0.000 1.192 205 A CA 3.082 55.047 52.037 -0.121 0.000 0.611 205 A CB -0.711 18.222 19.000 -0.112 0.000 0.832 205 A HN -0.100 7.979 8.150 -0.090 0.017 0.442 206 Q N -0.566 119.050 119.800 -0.307 0.000 2.045 206 Q HA -0.310 3.701 4.340 -0.549 0.000 0.206 206 Q C 2.160 177.725 176.000 -0.724 0.000 0.991 206 Q CA 2.422 57.876 55.803 -0.581 0.000 0.851 206 Q CB -0.407 27.907 28.738 -0.707 0.000 0.911 206 Q HN -0.695 7.415 8.270 -0.266 0.000 0.418 207 L N -1.037 119.904 121.223 -0.470 0.000 1.978 207 L HA -0.375 3.898 4.340 -0.113 0.000 0.218 207 L C 1.824 178.683 176.870 -0.018 0.000 1.075 207 L CA 3.209 57.951 54.840 -0.163 0.000 0.767 207 L CB -0.353 41.710 42.059 0.007 0.000 0.890 207 L HN -0.254 7.754 8.230 -0.371 0.000 0.434 208 V N -2.989 116.915 119.914 -0.016 0.000 2.453 208 V HA -0.634 3.569 4.120 0.138 0.000 0.252 208 V C 1.912 177.997 176.094 -0.016 0.000 1.068 208 V CA 4.466 66.792 62.300 0.044 0.000 1.070 208 V CB -0.449 31.392 31.823 0.031 0.000 0.664 208 V HN -0.645 7.524 8.190 -0.035 0.000 0.461 209 T N 1.082 115.575 114.554 -0.101 0.000 3.023 209 T HA -0.196 4.111 4.350 -0.072 0.000 0.266 209 T C 1.833 176.592 174.700 0.097 0.000 1.093 209 T CA 3.923 65.979 62.100 -0.073 0.000 1.129 209 T CB -0.267 68.514 68.868 -0.145 0.000 0.899 209 T HN -0.351 7.660 8.240 -0.181 0.121 0.491 210 W N 0.572 121.877 121.300 0.009 0.000 2.443 210 W HA -0.134 4.537 4.660 0.018 0.000 0.296 210 W C 0.523 177.056 176.519 0.023 0.000 1.202 210 W CA 1.724 59.081 57.345 0.020 0.000 1.312 210 W CB -0.467 29.013 29.460 0.033 0.000 1.120 210 W HN -0.544 7.551 8.180 0.069 0.126 0.536 211 L N -4.437 116.952 121.223 0.277 0.000 2.027 211 L HA -0.351 4.098 4.340 0.183 0.000 0.206 211 L C 3.033 179.988 176.870 0.141 0.000 1.074 211 L CA 2.610 57.567 54.840 0.195 0.000 0.745 211 L CB -0.207 41.977 42.059 0.209 0.000 0.898 211 L HN -0.475 7.915 8.230 0.267 0.000 0.433 212 K N -1.673 118.787 120.400 0.101 0.000 2.097 212 K HA -0.230 4.321 4.320 0.073 -0.187 0.206 212 K C 2.684 179.310 176.600 0.043 0.000 1.049 212 K CA 2.849 59.164 56.287 0.046 0.000 0.933 212 K CB -0.180 32.285 32.500 -0.058 0.000 0.717 212 K HN -0.188 8.113 8.250 0.085 0.000 0.442 213 G N -3.461 105.375 108.800 0.061 0.000 3.026 213 G HA2 -0.089 3.885 3.960 0.023 0.000 0.208 213 G HA3 -0.089 3.909 3.960 0.063 0.000 0.208 213 G C -0.379 174.514 174.900 -0.012 0.000 1.169 213 G CA -0.831 44.292 45.100 0.039 0.000 0.788 213 G HN -0.589 7.743 8.290 0.093 0.013 0.533 214 N N 1.066 119.765 118.700 -0.002 0.000 2.356 214 N HA -0.213 4.463 4.740 -0.106 0.000 0.252 214 N C 0.250 175.702 175.510 -0.096 0.000 1.241 214 N CA 1.418 54.434 53.050 -0.056 0.000 0.861 214 N CB 0.598 39.086 38.487 0.002 0.000 1.075 214 N HN -0.894 7.433 8.380 0.035 0.074 0.461 215 T N -0.059 114.380 114.554 -0.192 0.000 3.001 215 T HA 0.158 4.442 4.350 -0.109 0.000 0.251 215 T C 0.985 175.638 174.700 -0.078 0.000 1.040 215 T CA 0.355 62.353 62.100 -0.169 0.000 0.985 215 T CB 1.396 70.066 68.868 -0.330 0.000 1.011 215 T HN -0.151 7.933 8.240 -0.260 0.000 0.509 216 T N -1.495 113.023 114.554 -0.060 0.000 3.081 216 T HA 0.082 4.437 4.350 0.007 0.000 0.250 216 T C 1.231 175.933 174.700 0.004 0.000 1.100 216 T CA 1.219 63.314 62.100 -0.009 0.000 1.038 216 T CB 0.732 69.599 68.868 -0.001 0.000 0.962 216 T HN -0.816 7.580 8.240 -0.075 -0.201 0.516 217 G N -0.084 108.718 108.800 0.005 0.000 3.284 217 G HA2 0.196 4.167 3.960 0.018 0.000 0.236 217 G HA3 0.196 4.322 3.960 0.023 -0.152 0.236 217 G C 0.674 175.584 174.900 0.017 0.000 1.158 217 G CA -0.939 44.171 45.100 0.017 0.000 0.774 217 G HN 0.245 8.534 8.290 -0.003 0.000 0.545 218 S N 1.266 116.974 115.700 0.013 0.000 2.419 218 S HA -0.320 4.159 4.470 0.015 0.000 0.233 218 S C -0.207 174.398 174.600 0.007 0.000 1.016 218 S CA 3.500 61.707 58.200 0.012 0.000 0.974 218 S CB -0.252 62.954 63.200 0.011 0.000 0.786 218 S HN 0.213 8.474 8.310 0.011 0.056 0.492 219 A N -3.461 119.363 122.820 0.006 0.000 2.348 219 A HA 0.242 4.559 4.320 -0.005 0.000 0.224 219 A C -0.471 177.109 177.584 -0.007 0.000 1.227 219 A CA 0.097 52.134 52.037 -0.001 0.000 0.885 219 A CB 0.564 19.565 19.000 0.003 0.000 0.933 219 A HN 0.252 8.373 8.150 0.009 0.034 0.506 220 S N -1.313 114.386 115.700 -0.001 0.000 3.798 220 S HA 0.271 4.906 4.470 -0.014 -0.174 0.185 220 S C 1.590 176.184 174.600 -0.010 0.000 0.882 220 S CA -0.108 58.088 58.200 -0.005 0.000 1.488 220 S CB 1.232 64.437 63.200 0.009 0.000 0.639 220 S HN -0.804 7.459 8.310 0.005 0.051 0.687 221 I N 2.278 122.847 120.570 -0.001 0.000 2.361 221 I HA -0.319 3.841 4.170 -0.016 0.000 0.251 221 I C 2.353 178.479 176.117 0.014 0.000 1.133 221 I CA 3.720 65.020 61.300 0.000 0.000 1.413 221 I CB -0.013 37.992 38.000 0.009 0.000 1.073 221 I HN -0.499 7.966 8.210 0.007 -0.250 0.424 222 R N -1.539 118.977 120.500 0.027 0.000 2.120 222 R HA -0.392 3.984 4.340 0.059 0.000 0.234 222 R C 2.231 178.532 176.300 0.001 0.000 1.123 222 R CA 3.482 59.603 56.100 0.036 0.000 0.975 222 R CB -0.570 29.756 30.300 0.043 0.000 0.866 222 R HN -0.169 8.102 8.270 0.027 0.015 0.446 223 A N -2.405 120.408 122.820 -0.013 0.000 2.067 223 A HA -0.073 4.230 4.320 -0.028 0.000 0.219 223 A C 1.024 178.578 177.584 -0.052 0.000 1.158 223 A CA 2.024 54.043 52.037 -0.030 0.000 0.661 223 A CB -0.381 18.602 19.000 -0.027 0.000 0.801 223 A HN -0.553 7.570 8.150 -0.009 0.022 0.452 224 G N -4.755 104.013 108.800 -0.053 0.000 2.880 224 G HA2 0.039 3.951 3.960 -0.080 0.000 0.209 224 G HA3 0.039 4.134 3.960 -0.067 -0.175 0.209 224 G C -1.044 173.787 174.900 -0.116 0.000 1.157 224 G CA -0.276 44.779 45.100 -0.075 0.000 0.779 224 G HN -0.581 7.658 8.290 -0.039 0.028 0.539 225 L N -0.868 120.280 121.223 -0.125 0.000 2.331 225 L HA 0.357 4.483 4.340 -0.356 0.000 0.268 225 L C -2.300 174.353 176.870 -0.361 0.000 1.015 225 L CA -2.888 51.792 54.840 -0.267 0.000 0.807 225 L CB -0.183 41.822 42.059 -0.091 0.000 1.293 225 L HN -0.852 7.329 8.230 -0.082 0.000 0.451 226 P HA 0.101 4.290 4.420 -0.384 0.000 0.269 226 P C -0.156 176.966 177.300 -0.298 0.000 1.209 226 P CA -0.236 62.526 63.100 -0.563 0.000 0.776 226 P CB 0.609 31.744 31.700 -0.942 0.000 0.876 227 K N 2.151 122.465 120.400 -0.142 0.000 2.296 227 K HA -0.227 4.078 4.320 -0.025 0.000 0.200 227 K C 0.486 177.109 176.600 0.038 0.000 1.048 227 K CA 2.221 58.486 56.287 -0.036 0.000 0.966 227 K CB -0.003 32.479 32.500 -0.029 0.000 0.754 227 K HN 0.245 8.411 8.250 -0.141 0.000 0.466 228 S N -3.541 112.192 115.700 0.054 0.000 2.522 228 S HA -0.114 4.422 4.470 0.109 0.000 0.227 228 S C 0.102 174.881 174.600 0.297 0.000 0.986 228 S CA 0.137 58.423 58.200 0.143 0.000 0.929 228 S CB -0.108 63.177 63.200 0.142 0.000 0.769 228 S HN -0.524 7.754 8.310 -0.001 0.031 0.529 229 W N 0.455 121.786 121.300 0.051 0.000 2.202 229 W HA -0.072 4.643 4.660 0.091 0.000 0.332 229 W C 0.237 176.813 176.519 0.094 0.000 1.263 229 W CA -0.339 57.055 57.345 0.081 0.000 1.223 229 W CB 0.445 29.953 29.460 0.079 0.000 1.128 229 W HN -0.834 7.481 8.180 0.311 0.052 0.573 230 V N 2.053 122.160 119.914 0.320 0.000 2.472 230 V HA 0.094 4.326 4.120 0.186 0.000 0.290 230 V C -1.403 174.906 176.094 0.359 0.000 1.037 230 V CA -0.751 61.690 62.300 0.234 0.000 0.908 230 V CB 1.598 33.468 31.823 0.079 0.000 0.985 230 V HN -0.172 8.197 8.190 0.298 0.000 0.454 231 V N 5.782 125.866 119.914 0.284 0.000 2.638 231 V HA 0.578 5.129 4.120 0.442 -0.166 0.306 231 V C -1.260 175.001 176.094 0.278 0.000 1.052 231 V CA -2.074 60.422 62.300 0.326 0.000 0.885 231 V CB 3.975 35.932 31.823 0.223 0.000 0.999 231 V HN 0.170 8.479 8.190 0.198 0.000 0.424 232 G N 3.940 112.984 108.800 0.408 0.000 2.372 232 G HA2 0.402 4.572 3.960 0.199 0.000 0.323 232 G HA3 0.402 4.576 3.960 0.357 0.000 0.323 232 G C -2.478 172.547 174.900 0.208 0.000 1.152 232 G CA -1.464 43.810 45.100 0.290 0.000 0.906 232 G HN 0.232 8.881 8.290 0.599 0.000 0.460 233 D N 1.989 122.474 120.400 0.142 0.000 2.579 233 D HA 0.481 5.283 4.640 0.105 -0.098 0.257 233 D C -2.334 174.022 176.300 0.093 0.000 1.176 233 D CA -1.529 52.534 54.000 0.105 0.000 0.914 233 D CB 4.145 44.993 40.800 0.080 0.000 1.431 233 D HN -0.412 8.034 8.370 0.127 0.000 0.454 234 K N -0.869 119.581 120.400 0.084 0.000 2.578 234 K HA 0.446 4.808 4.320 0.070 0.000 0.250 234 K C -0.465 176.183 176.600 0.080 0.000 0.955 234 K CA -1.811 54.525 56.287 0.082 0.000 0.825 234 K CB 2.826 35.385 32.500 0.099 0.000 1.151 234 K HN 0.296 8.594 8.250 0.080 0.000 0.432 235 T N 2.733 117.324 114.554 0.061 0.000 2.754 235 T HA 0.571 5.127 4.350 0.071 -0.163 0.286 235 T C -0.500 174.241 174.700 0.069 0.000 0.997 235 T CA -1.352 60.784 62.100 0.060 0.000 0.982 235 T CB 1.271 70.158 68.868 0.031 0.000 1.027 235 T HN 0.165 8.434 8.240 0.048 0.000 0.529 236 G N -1.648 107.195 108.800 0.071 0.000 2.715 236 G HA2 0.294 4.267 3.960 0.022 0.000 0.297 236 G HA3 0.294 4.296 3.960 0.071 0.000 0.297 236 G C -2.835 172.094 174.900 0.049 0.000 1.386 236 G CA 0.184 45.316 45.100 0.053 0.000 1.157 236 G HN -0.077 8.260 8.290 0.079 0.000 0.585 237 S N 1.956 117.665 115.700 0.014 0.000 2.677 237 S HA 0.887 5.541 4.470 0.057 -0.151 0.304 237 S C -1.370 173.240 174.600 0.017 0.000 1.108 237 S CA -2.097 56.120 58.200 0.028 0.000 0.944 237 S CB 3.390 66.600 63.200 0.017 0.000 1.127 237 S HN -0.144 8.157 8.310 -0.016 0.000 0.511 241 Y N -4.097 116.195 120.300 -0.013 0.000 3.929 241 Y HA -0.520 4.248 4.550 -0.024 -0.233 0.225 241 Y C 0.494 176.381 175.900 -0.022 0.000 1.200 241 Y CA 0.606 58.690 58.100 -0.026 0.000 1.791 241 Y CB -1.919 36.514 38.460 -0.044 0.000 1.561 241 Y HN 0.648 8.688 8.280 -0.242 0.095 0.657 242 G N -3.577 105.267 108.800 0.073 0.000 2.361 242 G HA2 -0.544 3.499 3.960 0.087 0.000 0.294 242 G HA3 -0.544 3.484 3.960 0.094 -0.012 0.294 242 G C -0.056 174.919 174.900 0.124 0.000 1.004 242 G CA 0.444 45.599 45.100 0.093 0.000 0.870 242 G HN 0.193 8.487 8.290 0.033 0.016 0.510 243 T N 3.114 117.737 114.554 0.117 0.000 2.888 243 T HA -0.038 4.581 4.350 0.104 -0.207 0.301 243 T C -0.826 173.964 174.700 0.150 0.000 1.001 243 T CA 2.129 64.299 62.100 0.117 0.000 1.147 243 T CB 0.681 69.603 68.868 0.090 0.000 0.931 243 T HN -0.759 7.524 8.240 0.121 0.030 0.541 244 T N 9.014 123.698 114.554 0.217 0.000 3.170 244 T HA 0.315 4.856 4.350 0.147 -0.103 0.315 244 T C -1.916 172.913 174.700 0.215 0.000 0.967 244 T CA -0.319 61.903 62.100 0.203 0.000 1.024 244 T CB 1.827 70.840 68.868 0.241 0.000 1.018 244 T HN 0.508 8.901 8.240 0.256 0.000 0.449 245 N N 5.149 123.958 118.700 0.181 0.000 2.240 245 N HA 0.678 5.762 4.740 0.295 -0.167 0.302 245 N C -2.446 173.162 175.510 0.163 0.000 1.106 245 N CA -1.114 52.090 53.050 0.255 0.000 0.778 245 N CB 4.054 42.755 38.487 0.357 0.000 1.431 245 N HN 0.707 9.173 8.380 0.144 0.000 0.479 246 D N 1.231 121.698 120.400 0.111 0.000 2.890 246 D HA 0.528 5.393 4.640 0.080 -0.177 0.233 246 D C -1.708 174.585 176.300 -0.011 0.000 1.306 246 D CA -0.629 53.405 54.000 0.055 0.000 0.929 246 D CB 3.176 43.993 40.800 0.029 0.000 1.512 246 D HN 0.133 8.552 8.370 0.081 0.000 0.568 247 I N -0.663 119.916 120.570 0.014 0.000 2.607 247 I HA 0.983 5.227 4.170 -0.105 -0.136 0.305 247 I C -2.341 173.778 176.117 0.003 0.000 0.995 247 I CA -2.690 58.588 61.300 -0.036 0.000 1.148 247 I CB 3.484 41.479 38.000 -0.007 0.000 1.323 247 I HN 0.027 8.273 8.210 0.060 0.000 0.461 248 A N 1.679 124.487 122.820 -0.019 0.000 2.577 248 A HA 0.677 5.161 4.320 0.048 -0.136 0.297 248 A C -2.338 175.219 177.584 -0.044 0.000 1.060 248 A CA -0.488 51.555 52.037 0.009 0.000 0.697 248 A CB 3.526 22.541 19.000 0.026 0.000 1.281 248 A HN 0.142 8.262 8.150 -0.049 0.000 0.402 249 V N 2.267 122.156 119.914 -0.042 0.000 2.370 249 V HA 0.399 4.443 4.120 -0.344 -0.130 0.279 249 V C -1.270 174.633 176.094 -0.318 0.000 1.029 249 V CA -0.964 61.145 62.300 -0.317 0.000 0.870 249 V CB 1.349 32.869 31.823 -0.504 0.000 0.984 249 V HN 0.141 8.367 8.190 0.059 0.000 0.451 250 I N 5.490 125.836 120.570 -0.373 0.000 2.378 250 I HA 0.314 4.687 4.170 0.121 -0.130 0.291 250 I C -0.956 174.960 176.117 -0.336 0.000 0.992 250 I CA -1.022 60.201 61.300 -0.128 0.000 1.154 250 I CB 2.520 40.512 38.000 -0.013 0.000 1.315 250 I HN 0.910 8.871 8.210 -0.415 0.000 0.448 251 W N 6.506 127.732 121.300 -0.123 0.000 2.309 251 W HA 0.557 5.099 4.660 -0.196 0.000 0.332 251 W C -1.971 174.331 176.519 -0.361 0.000 0.962 251 W CA -2.154 55.077 57.345 -0.189 0.000 1.497 251 W CB 1.022 30.423 29.460 -0.099 0.000 1.308 251 W HN 0.608 9.074 8.180 0.477 0.000 0.384 255 N N -0.109 118.528 118.700 -0.105 0.000 2.305 255 N HA 0.095 4.727 4.740 -0.179 0.000 0.248 255 N C -1.660 173.569 175.510 -0.469 0.000 1.290 255 N CA 0.239 53.142 53.050 -0.245 0.000 0.873 255 N CB 1.142 39.456 38.487 -0.287 0.000 1.261 255 N HN -0.034 8.292 8.380 -0.091 0.000 0.504 256 H N -0.047 118.961 119.070 -0.103 0.000 3.085 256 H HA 0.046 4.553 4.556 -0.082 0.000 0.356 256 H C -1.433 173.803 175.328 -0.153 0.000 1.178 256 H CA -0.356 55.620 56.048 -0.120 0.000 1.214 256 H CB 3.184 32.861 29.762 -0.142 0.000 1.881 256 H HN -0.694 7.531 8.280 -0.092 0.000 0.538 257 A N 2.932 125.769 122.820 0.028 0.000 2.577 257 A HA -0.081 4.210 4.320 -0.049 0.000 0.233 257 A C -1.854 175.636 177.584 -0.158 0.000 1.076 257 A CA -0.272 51.731 52.037 -0.057 0.000 0.767 257 A CB -0.734 18.237 19.000 -0.048 0.000 1.017 257 A HN 0.270 8.467 8.150 0.078 0.000 0.511 258 P HA 0.231 4.495 4.420 -0.435 -0.105 0.276 258 P C -1.274 175.818 177.300 -0.346 0.000 1.252 258 P CA -0.542 62.309 63.100 -0.416 0.000 0.802 258 P CB 0.829 32.102 31.700 -0.711 0.000 1.035 259 L N -1.636 119.364 121.223 -0.372 0.000 2.362 259 L HA 0.740 5.112 4.340 -0.219 -0.163 0.271 259 L C -0.764 175.948 176.870 -0.263 0.000 1.002 259 L CA -1.098 53.588 54.840 -0.256 0.000 0.818 259 L CB 3.907 45.859 42.059 -0.179 0.000 1.298 259 L HN 0.410 8.380 8.230 -0.433 0.000 0.420 260 V N 1.855 121.652 119.914 -0.195 0.000 2.357 260 V HA 0.531 4.696 4.120 -0.194 -0.162 0.284 260 V C -1.764 174.259 176.094 -0.119 0.000 1.018 260 V CA -0.942 61.257 62.300 -0.169 0.000 0.841 260 V CB 1.777 33.510 31.823 -0.150 0.000 0.991 260 V HN 0.326 8.416 8.190 -0.167 0.000 0.437 261 L N 9.215 130.376 121.223 -0.104 0.000 2.346 261 L HA 0.723 5.184 4.340 -0.094 -0.178 0.276 261 L C -2.449 174.346 176.870 -0.125 0.000 1.006 261 L CA -2.109 52.674 54.840 -0.094 0.000 0.817 261 L CB 4.033 46.055 42.059 -0.062 0.000 1.272 261 L HN 0.246 8.415 8.230 -0.102 0.000 0.421 262 V N 5.842 125.650 119.914 -0.176 0.000 2.444 262 V HA 0.320 4.265 4.120 -0.291 0.000 0.294 262 V C -1.659 174.225 176.094 -0.349 0.000 1.022 262 V CA -1.097 61.016 62.300 -0.312 0.000 0.850 262 V CB 2.745 34.330 31.823 -0.397 0.000 0.992 262 V HN 0.063 8.157 8.190 -0.159 0.000 0.426 263 T N 4.693 119.043 114.554 -0.341 0.000 2.864 263 T HA 0.717 5.110 4.350 -0.232 -0.183 0.299 263 T C -0.791 173.794 174.700 -0.193 0.000 1.011 263 T CA -2.382 59.578 62.100 -0.232 0.000 0.975 263 T CB 1.763 70.562 68.868 -0.115 0.000 0.962 263 T HN 0.423 8.475 8.240 -0.313 0.000 0.448 264 Y N 5.354 125.527 120.300 -0.213 0.000 2.457 264 Y HA 0.894 5.544 4.550 -0.134 -0.180 0.333 264 Y C -1.248 174.558 175.900 -0.157 0.000 1.119 264 Y CA -2.745 55.175 58.100 -0.299 0.000 1.143 264 Y CB 3.167 41.192 38.460 -0.726 0.000 1.230 264 Y HN 0.365 8.465 8.280 -0.300 0.000 0.469 265 F N 0.969 120.939 119.950 0.033 0.000 2.650 265 F HA 0.882 5.717 4.527 0.146 -0.221 0.310 265 F C -2.255 173.666 175.800 0.201 0.000 1.112 265 F CA -0.504 57.566 58.000 0.117 0.000 0.986 265 F CB 4.279 43.327 39.000 0.079 0.000 1.285 265 F HN -0.052 8.588 8.300 0.275 -0.175 0.440 266 T N 5.561 119.781 114.554 -0.557 0.000 2.885 266 T HA 0.374 4.591 4.350 -0.223 0.000 0.322 266 T C -2.545 171.846 174.700 -0.516 0.000 1.387 266 T CA -1.178 60.727 62.100 -0.326 0.000 1.041 266 T CB 1.955 70.816 68.868 -0.010 0.000 1.287 266 T HN 0.254 7.960 8.240 -0.890 0.000 0.491 267 Q N 4.394 124.060 119.800 -0.225 0.000 2.445 267 Q HA 0.521 4.741 4.340 -0.199 0.000 0.281 267 Q C -2.189 173.844 176.000 0.055 0.000 1.101 267 Q CA -3.158 52.572 55.803 -0.122 0.000 0.833 267 Q CB 1.697 30.399 28.738 -0.061 0.000 1.416 267 Q HN -0.109 8.114 8.270 -0.080 0.000 0.451 268 P HA 0.037 4.518 4.420 0.101 0.000 0.255 268 P C -1.745 175.662 177.300 0.179 0.000 1.248 268 P CA 0.386 63.549 63.100 0.105 0.000 0.807 268 P CB 0.531 32.257 31.700 0.043 0.000 1.150 269 E N -0.693 119.573 120.200 0.110 0.000 2.176 269 E HA 0.145 4.490 4.350 -0.008 0.000 0.267 269 E C -0.064 176.370 176.600 -0.276 0.000 0.893 269 E CA -1.503 54.882 56.400 -0.024 0.000 0.761 269 E CB 0.591 30.276 29.700 -0.025 0.000 1.133 269 E HN -0.359 7.997 8.360 0.090 0.057 0.409 270 Q N 4.618 124.026 119.800 -0.653 0.000 2.096 270 Q HA -0.357 2.621 4.340 -2.270 0.000 0.204 270 Q C 1.049 176.739 176.000 -0.517 0.000 0.982 270 Q CA 3.952 59.040 55.803 -1.191 0.000 0.850 270 Q CB 0.143 28.337 28.738 -0.905 0.000 0.901 270 Q HN 0.689 8.675 8.270 -0.473 0.000 0.422 271 K N -3.325 116.911 120.400 -0.272 0.000 2.469 271 K HA -0.035 4.202 4.320 -0.139 0.000 0.201 271 K C -0.650 175.898 176.600 -0.086 0.000 1.028 271 K CA -1.056 55.145 56.287 -0.144 0.000 1.170 271 K CB -1.115 31.328 32.500 -0.095 0.000 0.874 271 K HN -0.115 7.990 8.250 -0.241 0.000 0.507 272 A N -0.251 122.517 122.820 -0.088 0.000 2.511 272 A HA -0.124 4.192 4.320 -0.006 0.000 0.242 272 A C -1.071 176.523 177.584 0.016 0.000 1.069 272 A CA 0.413 52.441 52.037 -0.015 0.000 0.763 272 A CB 0.781 19.786 19.000 0.009 0.000 1.001 272 A HN -0.725 7.266 8.150 -0.137 0.076 0.498 273 E N 2.389 122.612 120.200 0.037 0.000 2.376 273 E HA -0.204 4.167 4.350 0.036 0.000 0.266 273 E C -0.670 175.982 176.600 0.086 0.000 1.009 273 E CA -0.081 56.349 56.400 0.049 0.000 0.902 273 E CB 0.444 30.171 29.700 0.045 0.000 0.972 273 E HN 0.148 8.530 8.360 0.037 0.000 0.439 274 N N 3.952 122.701 118.700 0.081 0.000 2.345 274 N HA -0.270 4.562 4.740 0.153 0.000 0.243 274 N C 0.010 175.585 175.510 0.109 0.000 1.246 274 N CA 1.668 54.785 53.050 0.112 0.000 0.863 274 N CB 0.624 39.159 38.487 0.079 0.000 1.096 274 N HN 0.284 8.701 8.380 0.061 0.000 0.446 275 R N 1.661 122.246 120.500 0.141 0.000 2.651 275 R HA 0.317 4.679 4.340 0.037 0.000 0.282 275 R C -0.919 175.377 176.300 -0.006 0.000 1.565 275 R CA -2.006 54.128 56.100 0.058 0.000 1.661 275 R CB -1.026 29.290 30.300 0.026 0.000 1.189 275 R HN -0.399 7.987 8.270 0.192 0.000 0.621 276 N N 0.361 119.064 118.700 0.006 0.000 2.289 276 N HA -0.387 4.353 4.740 0.001 0.000 0.184 276 N C 0.578 176.058 175.510 -0.049 0.000 1.016 276 N CA 3.720 56.764 53.050 -0.009 0.000 0.872 276 N CB 0.180 38.670 38.487 0.004 0.000 0.973 276 N HN 0.323 8.714 8.380 0.019 0.000 0.433 277 D N -2.839 117.525 120.400 -0.060 0.000 2.178 277 D HA -0.239 4.364 4.640 -0.061 0.000 0.202 277 D C 1.451 177.677 176.300 -0.124 0.000 0.974 277 D CA 2.485 56.441 54.000 -0.074 0.000 0.841 277 D CB -0.723 40.042 40.800 -0.058 0.000 0.953 277 D HN 0.119 8.423 8.370 -0.048 0.037 0.478 278 I N -0.547 119.905 120.570 -0.197 0.000 2.361 278 I HA -0.325 3.692 4.170 -0.255 0.000 0.251 278 I C 1.733 177.699 176.117 -0.252 0.000 1.133 278 I CA 2.115 63.230 61.300 -0.308 0.000 1.413 278 I CB -0.818 36.794 38.000 -0.647 0.000 1.073 278 I HN -0.799 7.291 8.210 -0.200 0.000 0.424 279 L N -1.516 119.599 121.223 -0.181 0.000 2.109 279 L HA -0.341 3.922 4.340 -0.129 0.000 0.207 279 L C 2.040 178.854 176.870 -0.092 0.000 1.086 279 L CA 2.942 57.712 54.840 -0.117 0.000 0.760 279 L CB -1.109 40.916 42.059 -0.056 0.000 0.910 279 L HN -0.765 7.369 8.230 -0.160 0.000 0.437 280 A N -0.780 121.990 122.820 -0.084 0.000 1.898 280 A HA -0.243 4.148 4.320 -0.055 -0.104 0.216 280 A C 1.839 179.375 177.584 -0.080 0.000 1.181 280 A CA 2.776 54.773 52.037 -0.068 0.000 0.620 280 A CB -0.779 18.186 19.000 -0.058 0.000 0.819 280 A HN -0.401 7.697 8.150 -0.087 0.000 0.442 281 A N -1.982 120.779 122.820 -0.099 0.000 1.873 281 A HA -0.287 3.980 4.320 -0.088 0.000 0.215 281 A C 1.689 179.211 177.584 -0.104 0.000 1.186 281 A CA 2.811 54.788 52.037 -0.100 0.000 0.616 281 A CB -0.680 18.253 19.000 -0.113 0.000 0.823 281 A HN -0.341 7.742 8.150 -0.112 0.000 0.442 282 A N -1.635 121.111 122.820 -0.123 0.000 1.917 282 A HA -0.510 3.733 4.320 -0.127 0.000 0.219 282 A C 1.300 178.832 177.584 -0.087 0.000 1.182 282 A CA 3.191 55.156 52.037 -0.120 0.000 0.633 282 A CB -0.570 18.350 19.000 -0.134 0.000 0.819 282 A HN -0.398 7.667 8.150 -0.142 0.000 0.448 283 A N -2.477 120.299 122.820 -0.073 0.000 1.883 283 A HA -0.355 3.943 4.320 -0.037 0.000 0.217 283 A C 2.092 179.650 177.584 -0.044 0.000 1.186 283 A CA 2.948 54.957 52.037 -0.046 0.000 0.624 283 A CB -0.767 18.213 19.000 -0.034 0.000 0.822 283 A HN -0.309 7.794 8.150 -0.078 0.000 0.444 284 K N -0.241 120.121 120.400 -0.064 0.000 2.000 284 K HA -0.338 4.064 4.320 -0.084 -0.132 0.218 284 K C 2.151 178.715 176.600 -0.060 0.000 1.053 284 K CA 2.699 58.942 56.287 -0.073 0.000 0.946 284 K CB -0.080 32.373 32.500 -0.079 0.000 0.723 284 K HN -0.755 7.453 8.250 -0.069 0.000 0.446 285 I N -1.420 119.112 120.570 -0.063 0.000 2.224 285 I HA -0.540 3.599 4.170 -0.053 0.000 0.223 285 I C 2.278 178.370 176.117 -0.041 0.000 0.979 285 I CA 3.586 64.852 61.300 -0.058 0.000 1.295 285 I CB 0.017 37.971 38.000 -0.076 0.000 1.002 285 I HN -0.516 7.651 8.210 -0.072 0.000 0.381 286 V N -4.136 115.753 119.914 -0.041 0.000 2.250 286 V HA -0.410 3.696 4.120 -0.022 0.000 0.253 286 V C 1.038 177.134 176.094 0.003 0.000 1.065 286 V CA 2.725 65.012 62.300 -0.022 0.000 1.039 286 V CB -0.044 31.764 31.823 -0.026 0.000 0.647 286 V HN -0.475 7.683 8.190 -0.054 0.000 0.446 287 T N 0.000 114.568 114.554 0.024 0.000 3.816 287 T HA 0.000 4.409 4.350 0.098 0.000 0.228 287 T CA 0.000 62.149 62.100 0.081 0.000 1.349 287 T CB 0.000 68.966 68.868 0.163 0.000 0.612 287 T HN 0.000 8.249 8.240 0.016 0.000 0.658