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 3lh3_1_I DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NXXXXXXLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIGXXXXXX DATA SEQUENCE QNFLQTDASI NHGNXGGALV NSLGELMGIN TLSFDXXXXX ETPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRD 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 37 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 37 F C 0.000 175.798 175.800 -0.003 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 38 D N 2.841 123.299 120.400 0.096 0.000 2.471 38 D HA 0.214 4.795 4.640 -0.099 0.000 0.245 38 D C 0.171 176.553 176.300 0.137 0.000 1.116 38 D CA -0.165 53.844 54.000 0.016 0.000 0.853 38 D CB 1.246 42.039 40.800 -0.011 0.000 1.123 38 D HN 0.109 8.583 8.370 0.173 0.000 0.540 39 S N 4.864 120.669 115.700 0.174 0.000 2.597 39 S HA 0.119 4.771 4.470 0.162 -0.085 0.224 39 S C 1.502 176.152 174.600 0.083 0.000 0.955 39 S CA 0.153 58.456 58.200 0.172 0.000 0.933 39 S CB -0.039 63.309 63.200 0.246 0.000 0.788 39 S HN 0.437 8.828 8.310 0.134 0.000 0.488 40 T N 1.404 115.989 114.554 0.051 0.000 2.867 40 T HA -0.208 4.159 4.350 0.028 0.000 0.268 40 T C 0.716 175.430 174.700 0.023 0.000 1.057 40 T CA 2.619 64.735 62.100 0.028 0.000 1.136 40 T CB 0.032 68.907 68.868 0.012 0.000 0.874 40 T HN -0.563 7.847 8.240 0.044 -0.143 0.466 41 D N -0.519 119.897 120.400 0.027 0.000 2.277 41 D HA 0.086 4.735 4.640 0.014 0.000 0.208 41 D C 0.188 176.499 176.300 0.018 0.000 0.962 41 D CA 0.915 54.926 54.000 0.019 0.000 0.865 41 D CB 0.242 41.053 40.800 0.019 0.000 0.939 41 D HN 0.360 8.737 8.370 0.033 0.013 0.510 42 E N -0.555 119.660 120.200 0.026 0.000 2.371 42 E HA 0.084 4.440 4.350 0.010 0.000 0.257 42 E C -0.716 175.888 176.600 0.006 0.000 1.134 42 E CA 0.263 56.672 56.400 0.016 0.000 0.919 42 E CB 0.849 30.562 29.700 0.023 0.000 1.025 42 E HN -0.679 7.559 8.360 0.037 0.144 0.438 43 T N 3.030 117.580 114.554 -0.007 0.000 2.792 43 T HA 0.279 4.622 4.350 -0.012 0.000 0.280 43 T C -2.080 172.603 174.700 -0.028 0.000 0.990 43 T CA -2.143 59.947 62.100 -0.016 0.000 0.960 43 T CB 0.331 69.186 68.868 -0.022 0.000 0.939 43 T HN 0.027 8.261 8.240 -0.010 0.000 0.439 44 P HA 0.081 4.479 4.420 -0.037 0.000 0.276 44 P C -0.694 176.561 177.300 -0.074 0.000 1.235 44 P CA -0.638 62.438 63.100 -0.041 0.000 0.772 44 P CB 0.285 31.967 31.700 -0.029 0.000 0.871 45 A N 3.016 125.780 122.820 -0.094 0.000 2.540 45 A HA -0.039 4.179 4.320 -0.171 0.000 0.239 45 A C -0.388 177.065 177.584 -0.219 0.000 1.061 45 A CA 0.629 52.569 52.037 -0.162 0.000 0.758 45 A CB 0.331 19.240 19.000 -0.151 0.000 0.991 45 A HN 0.069 8.173 8.150 -0.078 0.000 0.502 46 S N 1.513 117.002 115.700 -0.352 0.000 2.552 46 S HA 0.084 4.390 4.470 -0.274 0.000 0.272 46 S C -1.102 173.204 174.600 -0.490 0.000 1.150 46 S CA -0.146 57.860 58.200 -0.323 0.000 0.849 46 S CB 0.857 63.976 63.200 -0.135 0.000 1.113 46 S HN -0.128 7.938 8.310 -0.406 0.000 0.458 47 Y N 2.101 122.402 120.300 0.001 0.000 2.681 47 Y HA 0.199 4.748 4.550 -0.001 0.000 0.267 47 Y C 0.072 175.971 175.900 -0.001 0.000 1.166 47 Y CA -0.732 57.368 58.100 -0.001 0.000 1.209 47 Y CB -0.055 38.404 38.460 -0.001 0.000 1.161 47 Y HN 0.213 8.488 8.280 -0.008 0.000 0.534 48 N N 1.570 120.314 118.700 0.072 0.000 2.205 48 N HA -0.363 4.414 4.740 0.062 0.000 0.186 48 N C 1.093 176.631 175.510 0.045 0.000 1.015 48 N CA 3.299 56.379 53.050 0.051 0.000 0.862 48 N CB 0.298 38.797 38.487 0.019 0.000 0.986 48 N HN -0.484 7.840 8.380 0.019 0.068 0.429 49 L N -0.615 120.633 121.223 0.041 0.000 2.012 49 L HA -0.285 4.069 4.340 0.024 0.000 0.210 49 L C 0.970 177.865 176.870 0.042 0.000 1.073 49 L CA 3.009 57.870 54.840 0.035 0.000 0.748 49 L CB -0.361 41.715 42.059 0.029 0.000 0.891 49 L HN -0.216 8.020 8.230 0.036 0.016 0.431 50 A N -2.514 120.347 122.820 0.068 0.000 1.933 50 A HA -0.389 3.951 4.320 0.033 0.000 0.218 50 A C 2.200 179.805 177.584 0.035 0.000 1.175 50 A CA 2.928 54.996 52.037 0.051 0.000 0.628 50 A CB -0.936 18.104 19.000 0.068 0.000 0.814 50 A HN -0.588 7.621 8.150 0.098 0.000 0.444 51 V N -1.431 118.512 119.914 0.048 0.000 2.295 51 V HA -0.603 3.533 4.120 0.027 0.000 0.246 51 V C 2.359 178.468 176.094 0.024 0.000 1.049 51 V CA 4.264 66.585 62.300 0.034 0.000 1.024 51 V CB -0.256 31.593 31.823 0.043 0.000 0.648 51 V HN -0.622 7.513 8.190 0.066 0.094 0.447 52 R N -1.426 119.089 120.500 0.024 0.000 2.120 52 R HA -0.285 4.066 4.340 0.018 0.000 0.234 52 R C 2.184 178.492 176.300 0.013 0.000 1.123 52 R CA 3.237 59.348 56.100 0.018 0.000 0.975 52 R CB -0.289 30.021 30.300 0.017 0.000 0.866 52 R HN -0.295 7.992 8.270 0.028 0.000 0.446 53 R N -3.298 117.209 120.500 0.011 0.000 2.075 53 R HA -0.129 4.213 4.340 0.004 0.000 0.226 53 R C 0.817 177.116 176.300 -0.001 0.000 1.114 53 R CA 2.732 58.834 56.100 0.004 0.000 0.972 53 R CB 0.313 30.614 30.300 0.001 0.000 0.869 53 R HN -0.569 7.690 8.270 0.015 0.020 0.437 54 A N -3.079 119.740 122.820 -0.001 0.000 1.944 54 A HA 0.179 4.492 4.320 -0.012 0.000 0.207 54 A C 1.378 178.961 177.584 -0.002 0.000 1.265 54 A CA 1.338 53.371 52.037 -0.008 0.000 0.712 54 A CB 0.503 19.494 19.000 -0.015 0.000 0.915 54 A HN -0.524 7.628 8.150 0.003 0.000 0.470 55 A N -0.230 122.592 122.820 0.004 0.000 1.927 55 A HA -0.160 4.162 4.320 0.003 0.000 0.220 55 A C -0.950 176.639 177.584 0.010 0.000 1.185 55 A CA 4.309 56.350 52.037 0.007 0.000 0.639 55 A CB -2.422 16.585 19.000 0.013 0.000 0.820 55 A HN -0.048 8.106 8.150 0.006 0.000 0.451 56 P HA -0.241 4.192 4.420 0.021 0.000 0.221 56 P C -0.157 177.152 177.300 0.014 0.000 1.145 56 P CA 1.880 64.990 63.100 0.017 0.000 0.795 56 P CB -0.369 31.341 31.700 0.016 0.000 0.775 57 A N -5.475 117.349 122.820 0.006 0.000 2.178 57 A HA 0.119 4.440 4.320 0.001 0.000 0.211 57 A C -1.200 176.383 177.584 -0.002 0.000 1.157 57 A CA -0.346 51.691 52.037 0.000 0.000 0.780 57 A CB 0.861 19.858 19.000 -0.005 0.000 0.828 57 A HN -0.451 7.666 8.150 0.003 0.034 0.476 58 V N 0.157 120.070 119.914 -0.001 0.000 2.432 58 V HA 0.467 4.758 4.120 -0.012 -0.178 0.275 58 V C -0.386 175.704 176.094 -0.007 0.000 1.043 58 V CA -0.042 62.253 62.300 -0.009 0.000 0.925 58 V CB 0.830 32.646 31.823 -0.012 0.000 0.985 58 V HN -0.752 7.288 8.190 0.001 0.150 0.466 59 V N 0.409 120.312 119.914 -0.018 0.000 2.919 59 V HA 0.621 4.827 4.120 0.009 -0.081 0.316 59 V C -1.380 174.675 176.094 -0.065 0.000 1.077 59 V CA -3.643 58.649 62.300 -0.013 0.000 0.977 59 V CB 3.046 34.872 31.823 0.004 0.000 1.039 59 V HN 0.583 8.648 8.190 -0.026 0.109 0.441 60 N N 2.001 120.654 118.700 -0.077 0.000 2.444 60 N HA 0.212 4.785 4.740 -0.278 0.000 0.271 60 N C -0.711 174.562 175.510 -0.395 0.000 1.069 60 N CA -1.074 51.820 53.050 -0.260 0.000 0.965 60 N CB 0.584 38.934 38.487 -0.229 0.000 1.092 60 N HN -0.047 8.324 8.380 -0.015 0.000 0.476 61 V N 3.997 123.626 119.914 -0.476 0.000 2.398 61 V HA 0.432 4.601 4.120 -0.207 -0.174 0.286 61 V C -1.317 174.476 176.094 -0.503 0.000 1.026 61 V CA -0.775 61.317 62.300 -0.346 0.000 0.868 61 V CB 1.728 33.436 31.823 -0.191 0.000 0.982 61 V HN 0.136 7.949 8.190 -0.447 0.108 0.443 62 Y N 5.942 126.237 120.300 -0.009 0.000 2.328 62 Y HA 0.219 4.761 4.550 -0.014 0.000 0.333 62 Y C -1.337 174.560 175.900 -0.004 0.000 0.958 62 Y CA -1.594 56.502 58.100 -0.007 0.000 1.167 62 Y CB 2.119 40.582 38.460 0.004 0.000 1.151 62 Y HN 0.803 9.123 8.280 0.067 0.000 0.470 63 N N 5.137 123.906 118.700 0.115 0.000 2.439 63 N HA 0.151 4.930 4.740 0.064 0.000 0.243 63 N C -1.314 174.248 175.510 0.086 0.000 1.088 63 N CA -0.800 52.295 53.050 0.074 0.000 0.940 63 N CB 0.439 38.947 38.487 0.034 0.000 1.180 63 N HN 0.166 8.601 8.380 0.092 0.000 0.505 64 R N 6.089 126.635 120.500 0.077 0.000 2.255 64 R HA 0.561 5.084 4.340 0.060 -0.147 0.326 64 R C -0.139 176.185 176.300 0.040 0.000 0.986 64 R CA -0.918 55.217 56.100 0.057 0.000 0.847 64 R CB 2.106 32.433 30.300 0.045 0.000 1.111 64 R HN 0.150 8.465 8.270 0.074 0.000 0.452 65 G N 2.330 111.151 108.800 0.035 0.000 2.532 65 G HA2 0.659 4.781 3.960 0.027 0.000 0.291 65 G HA3 0.659 4.635 3.960 0.028 0.000 0.291 65 G C -2.567 172.345 174.900 0.020 0.000 1.349 65 G CA -1.485 43.632 45.100 0.027 0.000 1.038 65 G HN 0.073 8.386 8.290 0.038 0.000 0.518 66 L N -2.053 119.180 121.223 0.017 0.000 2.329 66 L HA 0.375 4.721 4.340 0.011 0.000 0.279 66 L C -1.070 175.807 176.870 0.011 0.000 1.014 66 L CA -0.475 54.372 54.840 0.012 0.000 0.814 66 L CB 2.296 44.362 42.059 0.011 0.000 1.257 66 L HN -0.306 7.976 8.230 0.018 -0.041 0.424 75 E N 1.479 121.683 120.200 0.007 0.000 2.277 75 E HA 0.336 4.685 4.350 -0.001 0.000 0.266 75 E C -1.274 175.341 176.600 0.025 0.000 0.901 75 E CA -1.499 54.906 56.400 0.009 0.000 0.782 75 E CB 3.698 33.406 29.700 0.014 0.000 1.228 75 E HN -0.033 8.334 8.360 0.012 0.000 0.424 76 I N 1.174 121.763 120.570 0.032 0.000 2.517 76 I HA -0.205 4.013 4.170 0.079 0.000 0.285 76 I C 0.408 176.571 176.117 0.076 0.000 1.106 76 I CA 0.800 62.143 61.300 0.070 0.000 1.402 76 I CB -0.994 37.065 38.000 0.099 0.000 1.399 76 I HN 0.428 8.651 8.210 0.022 0.000 0.535 77 R N 7.590 128.137 120.500 0.078 0.000 2.072 77 R HA 0.095 4.475 4.340 0.067 0.000 0.214 77 R C 0.854 177.209 176.300 0.091 0.000 1.168 77 R CA 1.335 57.478 56.100 0.072 0.000 1.020 77 R CB 1.373 31.706 30.300 0.056 0.000 0.914 77 R HN 0.612 8.930 8.270 0.080 0.000 0.449 78 T N -1.410 113.196 114.554 0.087 0.000 2.924 78 T HA 0.406 4.834 4.350 0.129 0.000 0.291 78 T C -2.318 172.412 174.700 0.050 0.000 1.045 78 T CA -1.271 60.879 62.100 0.084 0.000 1.015 78 T CB 3.021 71.918 68.868 0.048 0.000 1.103 78 T HN -0.635 7.652 8.240 0.077 0.000 0.496 79 L N -1.795 119.416 121.223 -0.021 0.000 2.445 79 L HA 0.948 5.348 4.340 -0.144 -0.147 0.262 79 L C -1.274 175.423 176.870 -0.290 0.000 0.974 79 L CA -1.386 53.372 54.840 -0.137 0.000 0.822 79 L CB 3.546 45.573 42.059 -0.054 0.000 1.339 79 L HN 0.089 8.306 8.230 -0.023 0.000 0.409 80 G N -0.073 108.535 108.800 -0.320 0.000 2.846 80 G HA2 0.381 4.291 3.960 -0.325 0.000 0.299 80 G HA3 0.381 4.173 3.960 -0.280 0.000 0.299 80 G C -2.159 172.575 174.900 -0.277 0.000 1.242 80 G CA -0.215 44.703 45.100 -0.302 0.000 0.800 80 G HN 0.349 8.427 8.290 -0.354 0.000 0.538 81 S N -1.103 114.476 115.700 -0.202 0.000 2.709 81 S HA 1.032 5.547 4.470 -0.177 -0.151 0.302 81 S C -0.835 173.698 174.600 -0.111 0.000 1.127 81 S CA -1.724 56.384 58.200 -0.154 0.000 0.905 81 S CB 4.084 67.217 63.200 -0.111 0.000 1.151 81 S HN 0.061 8.261 8.310 -0.183 0.000 0.510 82 G N -2.234 106.519 108.800 -0.078 0.000 2.692 82 G HA2 0.782 4.994 3.960 -0.042 0.000 0.291 82 G HA3 0.782 4.713 3.960 -0.049 0.000 0.291 82 G C -3.160 171.723 174.900 -0.028 0.000 1.423 82 G CA -0.041 45.030 45.100 -0.048 0.000 0.843 82 G HN -0.027 8.218 8.290 -0.074 0.000 0.486 83 V N 0.305 120.212 119.914 -0.013 0.000 2.483 83 V HA 0.364 4.606 4.120 -0.009 -0.127 0.297 83 V C -0.909 175.185 176.094 -0.001 0.000 1.027 83 V CA -1.449 60.848 62.300 -0.005 0.000 0.855 83 V CB 3.242 35.069 31.823 0.006 0.000 0.995 83 V HN 0.257 8.442 8.190 -0.008 0.000 0.424 84 I N 8.631 129.197 120.570 -0.008 0.000 2.389 84 I HA -0.067 4.095 4.170 -0.014 0.000 0.295 84 I C 0.072 176.192 176.117 0.005 0.000 1.117 84 I CA 0.918 62.211 61.300 -0.012 0.000 1.317 84 I CB -0.825 37.157 38.000 -0.030 0.000 1.431 84 I HN 0.338 8.542 8.210 -0.010 0.000 0.521 85 M N 6.231 125.847 119.600 0.026 0.000 2.156 85 M HA -0.130 4.367 4.480 0.029 0.000 0.264 85 M C 0.257 176.582 176.300 0.040 0.000 1.067 85 M CA 0.265 55.588 55.300 0.038 0.000 1.131 85 M CB -0.165 32.467 32.600 0.054 0.000 1.368 85 M HN -0.124 8.187 8.290 0.036 0.000 0.416 86 D N -6.824 113.608 120.400 0.053 0.000 2.596 86 D HA 0.165 4.824 4.640 0.031 0.000 0.262 86 D C 0.394 176.704 176.300 0.016 0.000 1.210 86 D CA -0.961 53.068 54.000 0.048 0.000 0.873 86 D CB 1.348 42.199 40.800 0.086 0.000 1.408 86 D HN -0.840 7.567 8.370 0.061 0.000 0.441 87 Q N -1.662 118.142 119.800 0.008 0.000 2.170 87 Q HA -0.274 4.046 4.340 -0.033 0.000 0.203 87 Q C 1.597 177.562 176.000 -0.059 0.000 0.976 87 Q CA 2.984 58.774 55.803 -0.022 0.000 0.858 87 Q CB -0.224 28.509 28.738 -0.008 0.000 0.907 87 Q HN 0.318 8.600 8.270 0.020 0.000 0.433 88 R N -4.100 116.374 120.500 -0.043 0.000 2.120 88 R HA -0.359 3.916 4.340 -0.108 0.000 0.234 88 R C 0.697 176.823 176.300 -0.290 0.000 1.123 88 R CA 2.216 58.240 56.100 -0.126 0.000 0.975 88 R CB 0.604 30.876 30.300 -0.048 0.000 0.866 88 R HN -0.531 7.940 8.270 0.012 -0.193 0.446 89 G N -5.559 103.078 108.800 -0.270 0.000 2.183 89 G HA2 -0.285 3.518 3.960 -0.261 0.000 0.168 89 G HA3 -0.285 3.624 3.960 -0.387 -0.182 0.168 89 G C -0.843 173.863 174.900 -0.323 0.000 1.008 89 G CA -0.758 44.146 45.100 -0.327 0.000 0.677 89 G HN -0.464 7.717 8.290 -0.158 0.015 0.498 90 Y N 0.918 121.178 120.300 -0.068 0.000 2.442 90 Y HA 0.217 4.955 4.550 -0.051 -0.219 0.330 90 Y C -0.538 175.333 175.900 -0.048 0.000 1.129 90 Y CA 1.252 59.322 58.100 -0.050 0.000 1.365 90 Y CB 0.536 38.975 38.460 -0.033 0.000 1.233 90 Y HN -0.747 7.439 8.280 -0.157 0.000 0.529 91 I N 0.204 120.836 120.570 0.104 0.000 2.647 91 I HA 0.461 4.802 4.170 0.037 -0.148 0.295 91 I C -0.887 175.255 176.117 0.041 0.000 1.078 91 I CA -1.707 59.617 61.300 0.041 0.000 1.048 91 I CB 4.450 42.445 38.000 -0.008 0.000 1.239 91 I HN 0.706 8.888 8.210 0.121 0.101 0.421 92 I N 4.947 125.533 120.570 0.027 0.000 2.428 92 I HA 0.667 5.009 4.170 0.025 -0.157 0.296 92 I C -0.722 175.399 176.117 0.006 0.000 0.985 92 I CA -0.918 60.395 61.300 0.022 0.000 1.260 92 I CB 2.199 40.216 38.000 0.028 0.000 1.389 92 I HN 0.205 8.429 8.210 0.024 0.000 0.484 93 T N 4.648 119.204 114.554 0.003 0.000 2.739 93 T HA 0.351 4.689 4.350 -0.020 0.000 0.303 93 T C -2.159 172.536 174.700 -0.008 0.000 1.389 93 T CA -2.315 59.774 62.100 -0.019 0.000 1.001 93 T CB 1.579 70.419 68.868 -0.046 0.000 1.436 93 T HN 0.422 8.668 8.240 0.009 0.000 0.500 94 N N 1.447 120.125 118.700 -0.037 0.000 2.529 94 N HA 0.356 5.321 4.740 0.071 -0.182 0.278 94 N C 1.569 177.048 175.510 -0.051 0.000 1.146 94 N CA -0.019 53.029 53.050 -0.004 0.000 0.980 94 N CB 1.495 39.977 38.487 -0.009 0.000 1.124 94 N HN 0.479 8.815 8.380 -0.074 0.000 0.458 95 K N 6.009 126.443 120.400 0.057 0.000 2.155 95 K HA -0.285 4.041 4.320 0.010 0.000 0.203 95 K C 1.051 177.674 176.600 0.039 0.000 1.052 95 K CA 3.175 59.488 56.287 0.043 0.000 0.948 95 K CB -0.223 32.319 32.500 0.070 0.000 0.728 95 K HN -0.009 8.313 8.250 0.120 0.000 0.448 96 H N -3.612 115.468 119.070 0.017 0.000 2.545 96 H HA -0.103 4.464 4.556 0.019 0.000 0.282 96 H C 0.975 176.313 175.328 0.017 0.000 1.020 96 H CA 2.278 58.337 56.048 0.019 0.000 1.243 96 H CB -0.510 29.265 29.762 0.023 0.000 1.377 96 H HN -0.579 8.051 8.280 0.332 -0.151 0.581 97 V N -1.690 117.936 119.914 -0.481 0.000 2.488 97 V HA -0.237 3.692 4.120 -0.318 0.000 0.246 97 V C 0.217 176.230 176.094 -0.134 0.000 1.046 97 V CA 2.162 64.259 62.300 -0.337 0.000 1.053 97 V CB 0.497 32.109 31.823 -0.352 0.000 0.679 97 V HN -0.738 6.983 8.190 -0.531 0.151 0.458 98 I N -10.647 109.870 120.570 -0.088 0.000 4.018 98 I HA 0.097 4.252 4.170 -0.026 0.000 0.337 98 I C -0.795 175.321 176.117 -0.001 0.000 1.327 98 I CA -1.779 59.502 61.300 -0.031 0.000 1.100 98 I CB -0.009 37.978 38.000 -0.022 0.000 1.025 98 I HN -0.848 7.204 8.210 -0.094 0.102 0.396 99 N N 2.227 120.933 118.700 0.009 0.000 2.458 99 N HA -0.156 4.600 4.740 0.028 0.000 0.258 99 N C -0.654 174.874 175.510 0.029 0.000 1.219 99 N CA 1.331 54.399 53.050 0.029 0.000 0.902 99 N CB 0.206 38.724 38.487 0.051 0.000 1.076 99 N HN -0.605 7.777 8.380 0.003 0.000 0.455 100 D N -4.451 115.965 120.400 0.027 0.000 2.772 100 D HA -0.366 4.288 4.640 0.024 0.000 0.233 100 D C -1.736 174.579 176.300 0.026 0.000 1.143 100 D CA 1.161 55.177 54.000 0.026 0.000 0.700 100 D CB -1.835 38.982 40.800 0.028 0.000 1.076 100 D HN 0.332 8.717 8.370 0.026 0.000 0.430 101 A N -2.743 120.092 122.820 0.025 0.000 2.328 101 A HA -0.006 4.475 4.320 0.031 -0.142 0.284 101 A C -0.343 177.257 177.584 0.027 0.000 1.160 101 A CA -0.790 51.264 52.037 0.028 0.000 0.818 101 A CB 1.125 20.142 19.000 0.028 0.000 1.087 101 A HN -0.731 7.418 8.150 0.023 0.015 0.504 102 D N 2.339 122.756 120.400 0.028 0.000 2.249 102 D HA -0.051 4.602 4.640 0.022 0.000 0.205 102 D C 0.287 176.603 176.300 0.026 0.000 0.962 102 D CA 2.041 56.056 54.000 0.024 0.000 0.860 102 D CB 1.050 41.863 40.800 0.022 0.000 0.955 102 D HN 0.017 8.404 8.370 0.029 0.000 0.505 103 Q N -2.315 117.505 119.800 0.033 0.000 2.295 103 Q HA 0.230 4.591 4.340 0.035 0.000 0.268 103 Q C -2.558 173.472 176.000 0.051 0.000 1.010 103 Q CA -0.204 55.621 55.803 0.038 0.000 0.856 103 Q CB 3.518 32.276 28.738 0.033 0.000 1.349 103 Q HN -0.753 7.538 8.270 0.036 0.000 0.412 104 I N 6.370 126.973 120.570 0.054 0.000 2.339 104 I HA 0.556 4.946 4.170 0.073 -0.176 0.290 104 I C -1.413 174.759 176.117 0.092 0.000 0.994 104 I CA -1.038 60.302 61.300 0.066 0.000 1.191 104 I CB 1.707 39.734 38.000 0.044 0.000 1.343 104 I HN 0.612 8.852 8.210 0.049 0.000 0.458 105 I N 7.371 128.025 120.570 0.140 0.000 2.441 105 I HA 0.573 4.976 4.170 0.149 -0.144 0.295 105 I C -1.266 174.987 176.117 0.227 0.000 0.994 105 I CA -2.919 58.492 61.300 0.185 0.000 1.144 105 I CB 2.023 40.140 38.000 0.195 0.000 1.314 105 I HN 0.372 8.680 8.210 0.163 0.000 0.445 106 V N 6.970 127.012 119.914 0.214 0.000 2.407 106 V HA 0.487 4.867 4.120 0.136 -0.179 0.291 106 V C -2.082 174.166 176.094 0.257 0.000 1.018 106 V CA -1.781 60.634 62.300 0.191 0.000 0.842 106 V CB 2.894 34.799 31.823 0.137 0.000 0.996 106 V HN 0.459 8.781 8.190 0.219 0.000 0.426 107 A N 7.817 130.778 122.820 0.233 0.000 2.288 107 A HA 0.710 5.290 4.320 0.206 -0.137 0.320 107 A C -1.811 175.870 177.584 0.161 0.000 1.217 107 A CA -2.160 50.010 52.037 0.222 0.000 0.840 107 A CB 2.523 21.706 19.000 0.305 0.000 1.179 107 A HN 0.751 9.015 8.150 0.191 0.000 0.504 108 L N 2.455 123.779 121.223 0.167 0.000 2.399 108 L HA 0.174 4.576 4.340 0.105 0.000 0.265 108 L C 1.749 178.673 176.870 0.089 0.000 1.089 108 L CA -0.516 54.401 54.840 0.129 0.000 0.802 108 L CB 1.719 43.882 42.059 0.174 0.000 1.180 108 L HN 0.319 8.661 8.230 0.186 0.000 0.454 109 Q N 1.592 121.431 119.800 0.066 0.000 2.364 109 Q HA -0.258 4.113 4.340 0.052 0.000 0.207 109 Q C 0.364 176.391 176.000 0.045 0.000 0.970 109 Q CA 2.239 58.072 55.803 0.050 0.000 0.888 109 Q CB -0.497 28.264 28.738 0.038 0.000 0.951 109 Q HN 1.010 9.317 8.270 0.061 0.000 0.469 110 D N -5.732 114.698 120.400 0.052 0.000 2.340 110 D HA -0.042 4.618 4.640 0.034 0.000 0.220 110 D C 0.573 176.893 176.300 0.033 0.000 1.039 110 D CA -0.471 53.554 54.000 0.042 0.000 0.866 110 D CB -0.629 40.199 40.800 0.047 0.000 0.913 110 D HN -0.595 7.778 8.370 0.063 0.035 0.523 111 G N -0.032 108.789 108.800 0.035 0.000 2.213 111 G HA2 -0.417 3.553 3.960 0.017 0.000 0.226 111 G HA3 -0.417 3.545 3.960 0.003 0.000 0.226 111 G C -0.471 174.420 174.900 -0.015 0.000 0.992 111 G CA -0.242 44.865 45.100 0.012 0.000 0.632 111 G HN -0.373 7.779 8.290 0.049 0.167 0.511 112 R N 1.080 121.576 120.500 -0.007 0.000 2.491 112 R HA -0.002 4.224 4.340 -0.189 0.000 0.283 112 R C -1.264 174.940 176.300 -0.160 0.000 1.072 112 R CA 0.512 56.538 56.100 -0.123 0.000 1.048 112 R CB 1.074 31.344 30.300 -0.051 0.000 0.983 112 R HN -0.541 7.943 8.270 0.037 -0.191 0.450 113 V N 2.918 122.605 119.914 -0.378 0.000 2.540 113 V HA 0.656 4.916 4.120 -0.035 -0.160 0.302 113 V C -0.404 175.402 176.094 -0.480 0.000 1.035 113 V CA -1.416 60.742 62.300 -0.237 0.000 0.873 113 V CB 2.457 34.210 31.823 -0.117 0.000 0.992 113 V HN 0.086 7.999 8.190 -0.463 0.000 0.428 114 F N 4.875 124.838 119.950 0.022 0.000 2.593 114 F HA 0.401 4.931 4.527 0.005 0.000 0.320 114 F C -1.356 174.455 175.800 0.018 0.000 1.060 114 F CA -1.810 56.197 58.000 0.011 0.000 0.940 114 F CB 3.805 42.805 39.000 0.001 0.000 1.268 114 F HN 0.352 8.813 8.300 0.268 0.000 0.475 115 E N 1.525 121.844 120.200 0.198 0.000 2.227 115 E HA 0.404 4.957 4.350 0.117 -0.132 0.282 115 E C -1.395 175.275 176.600 0.118 0.000 1.015 115 E CA -0.718 55.757 56.400 0.126 0.000 0.823 115 E CB 1.921 31.667 29.700 0.076 0.000 1.081 115 E HN 0.273 8.746 8.360 0.189 0.000 0.396 116 A N 5.820 128.690 122.820 0.085 0.000 2.312 116 A HA 0.592 5.077 4.320 0.029 -0.147 0.328 116 A C -1.562 176.042 177.584 0.033 0.000 1.158 116 A CA -1.650 50.414 52.037 0.045 0.000 0.821 116 A CB 2.512 21.533 19.000 0.036 0.000 1.170 116 A HN 0.456 8.657 8.150 0.084 0.000 0.490 117 L N 0.328 121.561 121.223 0.018 0.000 2.309 117 L HA 0.381 4.738 4.340 0.027 0.000 0.282 117 L C -0.761 176.128 176.870 0.032 0.000 1.036 117 L CA -1.593 53.261 54.840 0.024 0.000 0.806 117 L CB 2.642 44.714 42.059 0.020 0.000 1.220 117 L HN -0.073 8.160 8.230 0.004 0.000 0.429 118 L N 3.770 125.012 121.223 0.032 0.000 2.407 118 L HA -0.034 4.327 4.340 0.035 0.000 0.282 118 L C 0.003 176.898 176.870 0.042 0.000 1.110 118 L CA 0.647 55.507 54.840 0.034 0.000 0.863 118 L CB -1.132 40.943 42.059 0.026 0.000 1.207 118 L HN 0.357 8.605 8.230 0.030 0.000 0.454 119 V N 5.804 125.753 119.914 0.058 0.000 2.379 119 V HA -0.239 3.924 4.120 0.071 0.000 0.245 119 V C 0.363 176.478 176.094 0.034 0.000 1.044 119 V CA 1.644 63.984 62.300 0.066 0.000 1.036 119 V CB 0.460 32.346 31.823 0.106 0.000 0.664 119 V HN 0.332 8.561 8.190 0.064 0.000 0.453 120 G N -4.226 104.589 108.800 0.026 0.000 2.338 120 G HA2 0.117 4.085 3.960 0.014 0.000 0.295 120 G HA3 0.117 4.080 3.960 0.006 0.000 0.295 120 G C -3.440 171.467 174.900 0.013 0.000 1.461 120 G CA -0.341 44.767 45.100 0.014 0.000 0.817 120 G HN -0.860 7.448 8.290 0.030 0.000 0.556 121 S N -1.691 114.015 115.700 0.010 0.000 2.588 121 S HA 0.613 5.199 4.470 0.013 -0.108 0.275 121 S C -2.092 172.513 174.600 0.008 0.000 1.130 121 S CA -1.399 56.809 58.200 0.013 0.000 0.855 121 S CB 3.519 66.732 63.200 0.021 0.000 1.116 121 S HN -0.074 8.241 8.310 0.008 0.000 0.472 122 D N 0.312 120.718 120.400 0.010 0.000 2.549 122 D HA 0.381 5.021 4.640 -0.000 0.000 0.251 122 D C 0.406 176.713 176.300 0.012 0.000 1.153 122 D CA -1.298 52.703 54.000 0.003 0.000 0.861 122 D CB 2.522 43.316 40.800 -0.010 0.000 1.207 122 D HN 0.165 8.544 8.370 0.015 0.000 0.543 123 S N 5.384 121.090 115.700 0.010 0.000 2.428 123 S HA -0.138 4.349 4.470 0.028 0.000 0.230 123 S C 0.960 175.564 174.600 0.006 0.000 1.014 123 S CA 2.462 60.672 58.200 0.015 0.000 0.957 123 S CB -0.058 63.149 63.200 0.012 0.000 0.784 123 S HN 0.408 8.721 8.310 0.006 0.000 0.499 124 L N 2.339 123.558 121.223 -0.008 0.000 2.083 124 L HA -0.169 4.160 4.340 -0.018 0.000 0.209 124 L C 1.047 177.898 176.870 -0.032 0.000 1.083 124 L CA 2.361 57.188 54.840 -0.021 0.000 0.752 124 L CB 0.568 42.608 42.059 -0.032 0.000 0.899 124 L HN -0.053 8.149 8.230 -0.010 0.023 0.433 125 T N -9.606 104.930 114.554 -0.030 0.000 3.010 125 T HA -0.053 4.412 4.350 -0.087 -0.168 0.257 125 T C 0.382 175.091 174.700 0.015 0.000 1.020 125 T CA -0.884 61.187 62.100 -0.048 0.000 0.938 125 T CB 1.489 70.315 68.868 -0.070 0.000 1.049 125 T HN -0.808 7.539 8.240 -0.020 -0.119 0.522 126 D N 0.262 120.688 120.400 0.043 0.000 3.041 126 D HA -0.329 4.389 4.640 0.094 -0.022 0.220 126 D C -1.773 174.591 176.300 0.106 0.000 1.157 126 D CA 1.524 55.581 54.000 0.096 0.000 0.876 126 D CB -1.150 39.729 40.800 0.132 0.000 1.107 126 D HN -0.126 8.157 8.370 0.029 0.104 0.422 127 L N -2.466 118.791 121.223 0.057 0.000 2.344 127 L HA 0.479 4.977 4.340 0.058 -0.123 0.272 127 L C -1.811 175.078 176.870 0.032 0.000 1.035 127 L CA -0.765 54.101 54.840 0.044 0.000 0.807 127 L CB 2.552 44.623 42.059 0.020 0.000 1.237 127 L HN -0.961 7.257 8.230 0.036 0.033 0.442 128 A N -0.072 122.763 122.820 0.025 0.000 2.515 128 A HA 0.777 5.231 4.320 0.017 -0.123 0.298 128 A C -2.429 175.166 177.584 0.018 0.000 1.059 128 A CA -1.300 50.748 52.037 0.018 0.000 0.698 128 A CB 3.849 22.858 19.000 0.014 0.000 1.289 128 A HN 0.837 9.001 8.150 0.024 0.000 0.404 129 V N 1.145 121.073 119.914 0.024 0.000 2.513 129 V HA 0.919 5.277 4.120 0.042 -0.213 0.299 129 V C -0.973 175.156 176.094 0.060 0.000 1.035 129 V CA -1.971 60.354 62.300 0.042 0.000 0.889 129 V CB 2.232 34.077 31.823 0.036 0.000 0.988 129 V HN 0.364 8.567 8.190 0.022 0.000 0.440 130 L N 4.990 126.254 121.223 0.069 0.000 2.303 130 L HA 0.906 5.455 4.340 0.052 -0.177 0.266 130 L C -1.445 175.461 176.870 0.061 0.000 1.011 130 L CA -2.036 52.835 54.840 0.052 0.000 0.818 130 L CB 3.875 45.943 42.059 0.016 0.000 1.326 130 L HN 0.835 8.999 8.230 0.069 0.108 0.435 131 K N 0.890 121.289 120.400 -0.001 0.000 2.507 131 K HA 0.528 4.895 4.320 -0.212 -0.173 0.251 131 K C -1.524 174.982 176.600 -0.157 0.000 0.943 131 K CA -1.490 54.718 56.287 -0.131 0.000 0.794 131 K CB 2.385 34.810 32.500 -0.124 0.000 1.188 131 K HN 0.096 8.347 8.250 0.002 0.000 0.428 132 I N 0.958 121.376 120.570 -0.254 0.000 2.693 132 I HA 0.542 4.623 4.170 -0.148 0.000 0.303 132 I C -2.054 173.883 176.117 -0.300 0.000 1.025 132 I CA -2.013 59.127 61.300 -0.267 0.000 1.086 132 I CB 3.223 40.943 38.000 -0.467 0.000 1.268 132 I HN -0.013 8.007 8.210 -0.316 0.000 0.440 133 N N 3.589 122.186 118.700 -0.173 0.000 2.476 133 N HA 0.279 4.927 4.740 -0.152 0.000 0.257 133 N C -1.252 174.259 175.510 0.001 0.000 0.970 133 N CA -1.076 51.916 53.050 -0.097 0.000 0.938 133 N CB 0.157 38.636 38.487 -0.013 0.000 1.144 133 N HN 0.308 8.648 8.380 -0.066 0.000 0.500 134 A N 3.656 126.434 122.820 -0.069 0.000 2.401 134 A HA 0.391 4.911 4.320 0.334 0.000 0.310 134 A C -0.159 177.461 177.584 0.060 0.000 1.075 134 A CA -0.914 51.181 52.037 0.096 0.000 0.746 134 A CB 1.903 20.873 19.000 -0.051 0.000 1.277 134 A HN 0.091 8.160 8.150 -0.135 0.000 0.425 135 T N 1.317 115.932 114.554 0.101 0.000 2.953 135 T HA 0.051 4.422 4.350 0.035 0.000 0.247 135 T C 1.324 176.049 174.700 0.042 0.000 1.029 135 T CA 1.111 63.243 62.100 0.054 0.000 1.144 135 T CB 0.168 69.067 68.868 0.051 0.000 0.870 135 T HN 0.112 8.442 8.240 0.150 0.000 0.446 136 G N 0.885 109.721 108.800 0.059 0.000 2.848 136 G HA2 -0.023 3.956 3.960 0.033 0.000 0.208 136 G HA3 -0.023 3.967 3.960 0.050 0.000 0.208 136 G C -0.714 174.207 174.900 0.034 0.000 1.152 136 G CA -0.027 45.099 45.100 0.044 0.000 0.789 136 G HN -0.233 8.108 8.290 0.084 0.000 0.531 137 G N -0.705 108.110 108.800 0.025 0.000 2.692 137 G HA2 -0.295 3.660 3.960 -0.009 0.000 0.686 137 G HA3 -0.295 3.670 3.960 0.008 0.000 0.686 137 G C -2.376 172.527 174.900 0.005 0.000 1.243 137 G CA -0.771 44.333 45.100 0.006 0.000 0.782 137 G HN -0.681 7.556 8.290 0.026 0.069 0.625 138 L N 0.932 122.143 121.223 -0.019 0.000 2.354 138 L HA 0.467 4.802 4.340 -0.008 0.000 0.269 138 L C -2.232 174.630 176.870 -0.013 0.000 1.005 138 L CA -3.148 51.675 54.840 -0.027 0.000 0.819 138 L CB 2.290 44.297 42.059 -0.086 0.000 1.311 138 L HN -0.303 8.147 8.230 -0.024 -0.235 0.423 139 P HA 0.109 4.530 4.420 0.002 0.000 0.275 139 P C -1.598 175.697 177.300 -0.009 0.000 1.227 139 P CA -0.454 62.646 63.100 -0.000 0.000 0.781 139 P CB 0.259 31.965 31.700 0.009 0.000 0.906 140 T N -2.271 112.280 114.554 -0.006 0.000 2.907 140 T HA 0.193 4.690 4.350 -0.008 -0.152 0.292 140 T C -0.016 174.680 174.700 -0.007 0.000 1.043 140 T CA -2.721 59.375 62.100 -0.006 0.000 1.003 140 T CB 3.333 72.200 68.868 -0.002 0.000 1.084 140 T HN -0.309 7.929 8.240 -0.004 0.000 0.483 141 I N 2.948 123.514 120.570 -0.007 0.000 2.556 141 I HA 0.120 4.280 4.170 -0.016 0.000 0.284 141 I C -1.997 174.105 176.117 -0.025 0.000 1.114 141 I CA -2.670 58.621 61.300 -0.015 0.000 1.418 141 I CB 1.099 39.090 38.000 -0.014 0.000 1.394 141 I HN -0.134 8.074 8.210 -0.004 0.000 0.552 142 P HA 0.056 4.455 4.420 -0.036 0.000 0.267 142 P C -1.806 175.444 177.300 -0.084 0.000 1.205 142 P CA -0.251 62.819 63.100 -0.048 0.000 0.765 142 P CB 0.559 32.230 31.700 -0.048 0.000 0.828 143 I N 2.204 122.728 120.570 -0.078 0.000 2.478 143 I HA 0.148 4.189 4.170 -0.214 0.000 0.287 143 I C -1.296 174.762 176.117 -0.098 0.000 1.042 143 I CA -0.429 60.800 61.300 -0.119 0.000 1.067 143 I CB 3.401 41.381 38.000 -0.034 0.000 1.233 143 I HN -0.069 8.109 8.210 -0.052 0.000 0.431 144 N N 7.659 126.253 118.700 -0.176 0.000 2.609 144 N HA 0.117 4.837 4.740 -0.034 0.000 0.234 144 N C 0.175 175.686 175.510 0.003 0.000 1.001 144 N CA -1.483 51.517 53.050 -0.084 0.000 0.926 144 N CB 0.113 38.545 38.487 -0.092 0.000 1.130 144 N HN 0.243 8.439 8.380 -0.307 0.000 0.510 145 A N 5.395 128.283 122.820 0.113 0.000 2.121 145 A HA -0.135 4.477 4.320 0.487 0.000 0.218 145 A C 0.558 178.264 177.584 0.204 0.000 1.154 145 A CA 1.941 54.129 52.037 0.251 0.000 0.679 145 A CB -0.090 19.000 19.000 0.149 0.000 0.795 145 A HN 0.730 8.927 8.150 0.077 0.000 0.458 146 R N -3.855 116.718 120.500 0.123 0.000 2.312 146 R HA 0.047 4.440 4.340 0.088 0.000 0.205 146 R C -0.010 176.349 176.300 0.098 0.000 0.904 146 R CA -0.264 55.891 56.100 0.092 0.000 1.052 146 R CB 0.552 30.886 30.300 0.055 0.000 1.014 146 R HN -0.656 7.865 8.270 0.090 -0.197 0.503 147 R N 1.774 122.340 120.500 0.110 0.000 2.401 147 R HA -0.138 4.237 4.340 0.058 0.000 0.299 147 R C -0.763 175.612 176.300 0.125 0.000 1.064 147 R CA 0.203 56.349 56.100 0.076 0.000 1.000 147 R CB -0.049 30.241 30.300 -0.017 0.000 0.973 147 R HN -0.643 7.669 8.270 0.107 0.023 0.438 148 V N 7.684 127.605 119.914 0.013 0.000 2.333 148 V HA 0.182 4.288 4.120 -0.022 0.000 0.274 148 V C -1.832 174.050 176.094 -0.352 0.000 1.028 148 V CA -2.962 59.268 62.300 -0.117 0.000 0.851 148 V CB 1.044 32.769 31.823 -0.162 0.000 1.000 148 V HN 0.088 8.284 8.190 0.009 0.000 0.456 149 P HA -0.008 4.347 4.420 -0.108 0.000 0.271 149 P C -1.560 175.548 177.300 -0.320 0.000 1.216 149 P CA -0.337 62.670 63.100 -0.156 0.000 0.771 149 P CB 0.621 32.334 31.700 0.022 0.000 0.864 150 H N 3.067 122.163 119.070 0.044 0.000 2.569 150 H HA 0.242 4.819 4.556 0.034 0.000 0.357 150 H C 0.088 175.431 175.328 0.024 0.000 1.153 150 H CA -1.579 54.488 56.048 0.032 0.000 1.193 150 H CB 3.545 33.322 29.762 0.024 0.000 1.602 150 H HN 0.131 8.733 8.280 0.024 -0.307 0.523 151 I N 2.282 122.942 120.570 0.149 0.000 2.668 151 I HA -0.550 3.787 4.170 0.064 -0.128 0.285 151 I C 1.253 177.412 176.117 0.069 0.000 1.168 151 I CA 2.182 63.532 61.300 0.082 0.000 1.424 151 I CB -0.578 37.459 38.000 0.062 0.000 1.377 151 I HN 0.581 8.887 8.210 0.160 0.000 0.560 152 G N 7.100 115.925 108.800 0.042 0.000 2.259 152 G HA2 -0.366 3.603 3.960 0.015 0.000 0.217 152 G HA3 -0.366 3.612 3.960 0.029 0.000 0.217 152 G C -0.442 174.475 174.900 0.027 0.000 1.001 152 G CA -0.566 44.550 45.100 0.028 0.000 0.627 152 G HN 0.426 8.735 8.290 0.032 0.000 0.501 153 D N 2.795 123.223 120.400 0.046 0.000 2.493 153 D HA -0.102 4.563 4.640 0.041 0.000 0.240 153 D C 0.025 176.318 176.300 -0.013 0.000 1.142 153 D CA 1.597 55.618 54.000 0.035 0.000 0.872 153 D CB 0.386 41.219 40.800 0.055 0.000 1.173 153 D HN -0.446 7.901 8.370 0.068 0.064 0.467 154 V N 3.022 122.914 119.914 -0.038 0.000 2.585 154 V HA -0.026 4.179 4.120 -0.121 -0.157 0.296 154 V C -0.125 175.874 176.094 -0.159 0.000 1.035 154 V CA 0.959 63.183 62.300 -0.126 0.000 1.084 154 V CB 0.089 31.798 31.823 -0.190 0.000 0.953 154 V HN 0.135 8.316 8.190 -0.015 0.000 0.483 155 V N 0.734 120.545 119.914 -0.172 0.000 2.962 155 V HA 0.961 5.154 4.120 -0.139 -0.156 0.313 155 V C -1.742 174.253 176.094 -0.164 0.000 1.099 155 V CA -3.288 58.927 62.300 -0.141 0.000 0.971 155 V CB 3.986 35.764 31.823 -0.075 0.000 1.028 155 V HN 0.178 8.265 8.190 -0.170 0.000 0.430 156 L N 1.146 122.292 121.223 -0.129 0.000 2.341 156 L HA 0.887 5.378 4.340 -0.111 -0.217 0.278 156 L C -1.104 175.733 176.870 -0.056 0.000 1.005 156 L CA -2.134 52.646 54.840 -0.101 0.000 0.818 156 L CB 3.193 45.200 42.059 -0.087 0.000 1.259 156 L HN 0.365 8.530 8.230 -0.109 0.000 0.418 157 A N 3.210 126.005 122.820 -0.043 0.000 2.290 157 A HA 0.808 5.284 4.320 -0.023 -0.170 0.310 157 A C -1.276 176.296 177.584 -0.019 0.000 1.202 157 A CA -1.858 50.163 52.037 -0.026 0.000 0.837 157 A CB 2.100 21.086 19.000 -0.024 0.000 1.139 157 A HN 0.433 8.556 8.150 -0.045 0.000 0.509 158 I N 2.960 123.520 120.570 -0.017 0.000 2.410 158 I HA 0.756 5.116 4.170 -0.011 -0.196 0.286 158 I C -0.761 175.342 176.117 -0.023 0.000 1.009 158 I CA -1.442 59.849 61.300 -0.015 0.000 1.111 158 I CB 1.762 39.755 38.000 -0.012 0.000 1.262 158 I HN 0.219 8.419 8.210 -0.016 0.000 0.443 159 G N 5.190 113.973 108.800 -0.027 0.000 2.570 159 G HA2 0.323 4.250 3.960 -0.055 0.000 0.310 159 G HA3 0.323 4.248 3.960 -0.059 0.000 0.310 159 G C -3.333 171.537 174.900 -0.051 0.000 1.266 159 G CA 0.403 45.473 45.100 -0.050 0.000 0.825 159 G HN -0.265 8.013 8.290 -0.020 0.000 0.483 160 N N 0.277 118.926 118.700 -0.085 0.000 2.841 160 N HA 0.667 5.388 4.740 -0.032 0.000 0.257 160 N C -2.065 173.389 175.510 -0.093 0.000 1.396 160 N CA -3.620 49.387 53.050 -0.071 0.000 0.823 160 N CB 2.140 40.570 38.487 -0.095 0.000 1.162 160 N HN -0.190 8.121 8.380 -0.115 0.000 0.503 161 P HA 0.137 4.601 4.420 -0.254 -0.196 0.276 161 P C -0.023 177.297 177.300 0.034 0.000 1.235 161 P CA -0.036 62.999 63.100 -0.109 0.000 0.772 161 P CB 0.089 31.786 31.700 -0.005 0.000 0.871 162 Y N 0.065 120.399 120.300 0.056 0.000 3.721 162 Y HA -0.517 4.128 4.550 0.160 0.000 0.218 162 Y C -0.978 174.968 175.900 0.076 0.000 1.188 162 Y CA 1.244 59.405 58.100 0.101 0.000 1.607 162 Y CB -2.546 35.968 38.460 0.089 0.000 1.496 162 Y HN 0.316 8.340 8.280 -0.427 0.000 0.626 163 N N -3.380 115.402 118.700 0.136 0.000 2.721 163 N HA -0.346 4.576 4.740 0.107 -0.119 0.249 163 N C 0.232 175.820 175.510 0.130 0.000 1.072 163 N CA 1.112 54.242 53.050 0.134 0.000 0.710 163 N CB -0.799 37.790 38.487 0.170 0.000 0.993 163 N HN -0.334 8.046 8.380 0.056 0.034 0.547 164 L N -2.106 119.191 121.223 0.123 0.000 2.395 164 L HA -0.103 4.296 4.340 0.098 0.000 0.218 164 L C 0.917 177.833 176.870 0.077 0.000 1.130 164 L CA 1.089 55.989 54.840 0.101 0.000 0.826 164 L CB 0.357 42.480 42.059 0.107 0.000 0.941 164 L HN -0.495 7.793 8.230 0.126 0.017 0.451 165 G N -3.067 105.778 108.800 0.074 0.000 2.555 165 G HA2 -0.304 3.697 3.960 0.069 0.000 0.686 165 G HA3 -0.304 3.691 3.960 0.058 0.000 0.686 165 G C -2.223 172.702 174.900 0.041 0.000 1.275 165 G CA -0.922 44.214 45.100 0.061 0.000 0.871 165 G HN -0.424 8.173 8.290 0.076 -0.261 0.603 166 Q N 1.754 121.574 119.800 0.032 0.000 2.286 166 Q HA -0.030 4.535 4.340 0.006 -0.221 0.290 166 Q C -0.173 175.840 176.000 0.022 0.000 1.049 166 Q CA 1.333 57.147 55.803 0.018 0.000 0.923 166 Q CB 0.641 29.390 28.738 0.017 0.000 1.183 166 Q HN 0.343 8.635 8.270 0.037 0.000 0.383 167 T N 8.819 123.382 114.554 0.015 0.000 2.881 167 T HA 0.245 4.611 4.350 0.027 0.000 0.290 167 T C -1.815 172.893 174.700 0.014 0.000 1.000 167 T CA -0.820 61.293 62.100 0.022 0.000 0.978 167 T CB 1.976 70.862 68.868 0.030 0.000 0.997 167 T HN 0.406 8.649 8.240 0.006 0.000 0.443 168 I N 5.140 125.722 120.570 0.019 0.000 2.354 168 I HA 0.722 5.093 4.170 0.005 -0.198 0.292 168 I C 0.216 176.341 176.117 0.013 0.000 0.989 168 I CA -2.436 58.873 61.300 0.014 0.000 1.188 168 I CB 0.336 38.350 38.000 0.023 0.000 1.342 168 I HN 0.347 8.572 8.210 0.024 0.000 0.457 169 T N 4.688 119.242 114.554 -0.001 0.000 2.924 169 T HA 0.363 4.717 4.350 0.006 0.000 0.291 169 T C -1.862 172.819 174.700 -0.033 0.000 1.045 169 T CA -2.096 60.001 62.100 -0.005 0.000 1.015 169 T CB 2.460 71.326 68.868 -0.003 0.000 1.103 169 T HN 0.148 8.383 8.240 -0.009 0.000 0.496 170 Q N 4.091 123.869 119.800 -0.038 0.000 2.356 170 Q HA 0.748 5.183 4.340 -0.124 -0.170 0.270 170 Q C -1.121 174.834 176.000 -0.075 0.000 1.058 170 Q CA -1.104 54.647 55.803 -0.087 0.000 0.802 170 Q CB 3.552 32.238 28.738 -0.087 0.000 1.303 170 Q HN 0.054 8.312 8.270 -0.020 0.000 0.444 171 G N 4.258 112.996 108.800 -0.103 0.000 2.772 171 G HA2 0.713 4.636 3.960 -0.063 0.000 0.284 171 G HA3 0.713 4.798 3.960 -0.069 -0.167 0.284 171 G C -2.623 172.223 174.900 -0.089 0.000 1.217 171 G CA 0.245 45.298 45.100 -0.078 0.000 0.831 171 G HN 0.363 8.572 8.290 -0.134 0.000 0.523 172 I N -5.887 114.644 120.570 -0.065 0.000 3.264 172 I HA 0.945 5.252 4.170 -0.061 -0.174 0.315 172 I C -1.078 175.016 176.117 -0.038 0.000 1.154 172 I CA -2.749 58.520 61.300 -0.051 0.000 0.962 172 I CB 4.523 42.504 38.000 -0.031 0.000 1.265 172 I HN 0.536 9.042 8.210 -0.059 -0.332 0.463 173 I N 1.152 121.712 120.570 -0.017 0.000 2.436 173 I HA 0.018 4.312 4.170 -0.008 -0.129 0.289 173 I C 0.450 176.566 176.117 -0.002 0.000 1.083 173 I CA 0.723 62.023 61.300 -0.001 0.000 1.372 173 I CB -0.632 37.383 38.000 0.025 0.000 1.408 173 I HN 0.003 8.207 8.210 -0.010 0.000 0.516 174 S N 9.268 124.957 115.700 -0.019 0.000 2.478 174 S HA -0.021 4.436 4.470 -0.021 0.000 0.222 174 S C -0.834 173.766 174.600 0.000 0.000 1.008 174 S CA 0.887 59.072 58.200 -0.025 0.000 0.928 174 S CB 0.610 63.770 63.200 -0.066 0.000 0.781 174 S HN 0.610 8.792 8.310 -0.031 0.110 0.518 175 A N -2.050 120.784 122.820 0.024 0.000 2.549 175 A HA 0.299 4.646 4.320 0.046 0.000 0.291 175 A C -2.717 174.916 177.584 0.081 0.000 1.034 175 A CA -0.042 52.026 52.037 0.052 0.000 0.655 175 A CB 1.524 20.559 19.000 0.059 0.000 1.299 175 A HN -0.889 7.277 8.150 0.026 0.000 0.427 176 T N -3.671 110.932 114.554 0.082 0.000 2.906 176 T HA 0.304 4.719 4.350 0.109 0.000 0.295 176 T C 0.258 175.011 174.700 0.087 0.000 1.075 176 T CA -2.189 59.963 62.100 0.086 0.000 1.005 176 T CB 2.017 70.917 68.868 0.053 0.000 1.136 176 T HN 0.118 8.401 8.240 0.071 0.000 0.498 177 G N -0.130 108.719 108.800 0.082 0.000 2.370 177 G HA2 -0.352 3.804 3.960 0.036 0.000 0.295 177 G HA3 -0.352 3.630 3.960 0.038 0.000 0.295 177 G C -0.632 174.323 174.900 0.091 0.000 1.045 177 G CA 0.528 45.663 45.100 0.059 0.000 1.199 177 G HN 0.215 8.655 8.290 0.081 -0.101 0.513 178 R N -1.491 119.107 120.500 0.162 0.000 2.711 178 R HA 0.380 4.797 4.340 0.129 0.000 0.284 178 R C -1.019 175.388 176.300 0.179 0.000 0.968 178 R CA -2.014 54.194 56.100 0.181 0.000 0.924 178 R CB 2.088 32.561 30.300 0.287 0.000 1.162 178 R HN -0.627 7.858 8.270 0.208 -0.090 0.465 179 I N -4.068 116.552 120.570 0.083 0.000 4.057 179 I HA 0.243 4.495 4.170 0.137 0.000 0.334 179 I C 0.594 176.668 176.117 -0.072 0.000 1.308 179 I CA -0.397 60.940 61.300 0.062 0.000 1.125 179 I CB 0.264 38.281 38.000 0.027 0.000 1.034 179 I HN 0.110 8.356 8.210 0.060 0.000 0.401 188 N N 0.953 119.465 118.700 -0.312 0.000 2.372 188 N HA 0.218 4.902 4.740 -0.094 0.000 0.285 188 N C -2.005 173.291 175.510 -0.358 0.000 1.008 188 N CA -0.475 52.445 53.050 -0.218 0.000 0.880 188 N CB 1.442 39.837 38.487 -0.154 0.000 1.239 188 N HN 0.022 8.164 8.380 -0.397 0.000 0.484 189 F N 0.368 120.334 119.950 0.027 0.000 2.569 189 F HA 0.330 5.047 4.527 0.083 -0.140 0.312 189 F C -0.203 175.680 175.800 0.138 0.000 1.109 189 F CA -1.316 56.740 58.000 0.093 0.000 0.919 189 F CB 3.874 42.943 39.000 0.115 0.000 1.211 189 F HN 0.167 8.674 8.300 0.165 -0.108 0.446 190 L N 2.538 123.973 121.223 0.353 0.000 2.367 190 L HA 0.107 4.692 4.340 0.192 -0.129 0.275 190 L C -0.944 176.079 176.870 0.254 0.000 1.129 190 L CA -0.334 54.650 54.840 0.239 0.000 0.839 190 L CB 0.506 42.665 42.059 0.165 0.000 1.133 190 L HN 0.650 9.085 8.230 0.342 0.000 0.453 191 Q N 4.834 124.726 119.800 0.154 0.000 2.230 191 Q HA 0.740 5.193 4.340 -0.155 -0.206 0.253 191 Q C -0.699 175.249 176.000 -0.087 0.000 0.919 191 Q CA -1.171 54.609 55.803 -0.039 0.000 0.908 191 Q CB 2.997 31.708 28.738 -0.046 0.000 1.245 191 Q HN 0.183 8.538 8.270 0.142 0.000 0.437 192 T N 3.899 118.346 114.554 -0.179 0.000 2.894 192 T HA 0.633 5.079 4.350 -0.091 -0.151 0.309 192 T C -1.704 172.905 174.700 -0.152 0.000 1.208 192 T CA -2.561 59.467 62.100 -0.121 0.000 1.016 192 T CB 1.476 70.299 68.868 -0.074 0.000 1.192 192 T HN 0.357 8.424 8.240 -0.289 0.000 0.491 193 D N 4.414 124.750 120.400 -0.107 0.000 2.402 193 D HA 0.222 4.852 4.640 -0.114 -0.059 0.216 193 D C -0.123 176.135 176.300 -0.069 0.000 1.128 193 D CA -1.732 52.211 54.000 -0.095 0.000 0.833 193 D CB -0.224 40.529 40.800 -0.078 0.000 0.971 193 D HN -0.016 8.302 8.370 -0.088 0.000 0.503 194 A N 1.313 124.092 122.820 -0.068 0.000 2.491 194 A HA -0.144 4.294 4.320 -0.048 -0.146 0.261 194 A C -0.476 177.083 177.584 -0.041 0.000 1.101 194 A CA 0.747 52.752 52.037 -0.053 0.000 0.772 194 A CB 0.346 19.312 19.000 -0.056 0.000 1.043 194 A HN -0.706 7.348 8.150 -0.074 0.052 0.501 195 S N 2.085 117.771 115.700 -0.023 0.000 2.596 195 S HA -0.146 4.318 4.470 -0.010 0.000 0.298 195 S C -0.911 173.687 174.600 -0.003 0.000 1.255 195 S CA 1.003 59.200 58.200 -0.006 0.000 1.083 195 S CB -0.020 63.188 63.200 0.013 0.000 0.837 195 S HN 0.149 8.447 8.310 -0.019 0.000 0.499 196 I N 6.923 127.491 120.570 -0.003 0.000 2.436 196 I HA 0.063 4.227 4.170 -0.010 0.000 0.289 196 I C -1.965 174.158 176.117 0.009 0.000 1.010 196 I CA -1.288 60.008 61.300 -0.006 0.000 1.098 196 I CB 1.372 39.362 38.000 -0.017 0.000 1.266 196 I HN 0.225 8.434 8.210 -0.003 0.000 0.434 197 N N 5.410 124.101 118.700 -0.015 0.000 2.577 197 N HA 0.304 5.051 4.740 0.012 0.000 0.285 197 N C -1.612 173.801 175.510 -0.160 0.000 1.309 197 N CA -1.669 51.355 53.050 -0.044 0.000 0.798 197 N CB 4.285 42.775 38.487 0.005 0.000 1.463 197 N HN 0.026 8.692 8.380 -0.035 -0.307 0.518 198 H N 0.255 119.103 119.070 -0.371 0.000 3.157 198 H HA -0.271 4.165 4.556 -0.199 0.000 0.299 198 H C 0.530 175.603 175.328 -0.424 0.000 0.961 198 H CA 2.440 58.266 56.048 -0.371 0.000 1.428 198 H CB 0.414 29.938 29.762 -0.397 0.000 1.459 198 H HN 0.480 8.645 8.280 -0.191 0.000 0.566 199 G N 6.114 114.495 108.800 -0.699 0.000 2.316 199 G HA2 -0.439 3.361 3.960 -0.569 0.000 0.203 199 G HA3 -0.439 3.406 3.960 -0.449 -0.154 0.203 199 G C -0.720 174.009 174.900 -0.286 0.000 0.999 199 G CA -0.141 44.652 45.100 -0.511 0.000 0.649 199 G HN 0.475 8.382 8.290 -0.638 0.000 0.489 203 G N 0.956 109.742 108.800 -0.024 0.000 2.563 203 G HA2 0.423 4.366 3.960 -0.028 0.000 0.283 203 G HA3 0.423 4.495 3.960 -0.031 -0.131 0.283 203 G C -2.271 172.630 174.900 0.002 0.000 1.309 203 G CA -1.018 44.069 45.100 -0.022 0.000 1.022 203 G HN -0.491 7.783 8.290 -0.026 0.000 0.501 204 A N -2.182 120.636 122.820 -0.003 0.000 2.303 204 A HA 0.525 4.976 4.320 0.017 -0.121 0.317 204 A C -2.156 175.430 177.584 0.002 0.000 1.149 204 A CA -1.609 50.431 52.037 0.005 0.000 0.822 204 A CB 2.673 21.669 19.000 -0.006 0.000 1.131 204 A HN -0.207 7.937 8.150 -0.011 0.000 0.493 205 L N 3.772 125.002 121.223 0.011 0.000 2.319 205 L HA 0.949 5.493 4.340 -0.013 -0.211 0.281 205 L C -1.676 175.182 176.870 -0.019 0.000 1.005 205 L CA -1.144 53.696 54.840 -0.000 0.000 0.828 205 L CB 3.063 45.135 42.059 0.023 0.000 1.227 205 L HN -0.032 8.213 8.230 0.024 0.000 0.415 206 V N 1.478 121.367 119.914 -0.041 0.000 3.046 206 V HA 0.990 5.221 4.120 -0.076 -0.156 0.316 206 V C -1.473 174.579 176.094 -0.069 0.000 1.104 206 V CA -3.914 58.349 62.300 -0.062 0.000 1.006 206 V CB 3.659 35.449 31.823 -0.056 0.000 1.058 206 V HN 0.378 8.542 8.190 -0.043 0.000 0.440 207 N N -0.148 118.509 118.700 -0.073 0.000 2.495 207 N HA 0.522 5.376 4.740 -0.077 -0.161 0.294 207 N C 1.980 177.462 175.510 -0.047 0.000 1.276 207 N CA -1.657 51.355 53.050 -0.064 0.000 0.973 207 N CB 0.969 39.428 38.487 -0.046 0.000 1.143 207 N HN -0.229 8.101 8.380 -0.083 0.000 0.589 208 S N -0.912 114.776 115.700 -0.019 0.000 2.507 208 S HA -0.176 4.337 4.470 0.071 0.000 0.235 208 S C 0.707 175.349 174.600 0.071 0.000 0.988 208 S CA 2.418 60.657 58.200 0.066 0.000 0.944 208 S CB -0.698 62.595 63.200 0.155 0.000 0.762 208 S HN 0.377 8.678 8.310 -0.016 0.000 0.526 209 L N -2.545 118.692 121.223 0.024 0.000 2.585 209 L HA 0.202 4.558 4.340 0.027 0.000 0.226 209 L C 0.530 177.397 176.870 -0.006 0.000 1.113 209 L CA -0.162 54.685 54.840 0.012 0.000 0.876 209 L CB 0.218 42.276 42.059 -0.001 0.000 1.072 209 L HN -0.499 7.955 8.230 0.004 -0.222 0.468 210 G N -2.198 106.593 108.800 -0.016 0.000 2.175 210 G HA2 -0.459 3.487 3.960 -0.023 0.000 0.244 210 G HA3 -0.459 3.491 3.960 -0.018 0.000 0.244 210 G C -0.549 174.315 174.900 -0.060 0.000 0.982 210 G CA -0.105 44.978 45.100 -0.027 0.000 0.641 210 G HN -0.272 7.919 8.290 -0.016 0.089 0.527 211 E N -0.106 120.041 120.200 -0.088 0.000 2.313 211 E HA -0.122 4.287 4.350 -0.146 -0.146 0.276 211 E C -0.616 175.861 176.600 -0.206 0.000 1.031 211 E CA -0.618 55.689 56.400 -0.155 0.000 0.857 211 E CB 0.936 30.526 29.700 -0.182 0.000 1.040 211 E HN -0.669 7.833 8.360 -0.077 -0.188 0.408 212 L N 5.051 126.122 121.223 -0.255 0.000 2.477 212 L HA -0.218 4.041 4.340 -0.135 0.000 0.272 212 L C -0.794 175.848 176.870 -0.380 0.000 1.157 212 L CA 1.288 55.990 54.840 -0.230 0.000 0.889 212 L CB 0.146 42.117 42.059 -0.147 0.000 1.158 212 L HN -0.037 8.043 8.230 -0.250 0.000 0.473 213 M N 4.093 123.613 119.600 -0.134 0.000 2.552 213 M HA 0.152 4.623 4.480 -0.014 0.000 0.264 213 M C 0.168 176.612 176.300 0.239 0.000 1.159 213 M CA 0.342 55.657 55.300 0.026 0.000 1.176 213 M CB 1.588 34.202 32.600 0.023 0.000 1.327 213 M HN 0.687 8.825 8.290 -0.076 0.106 0.481 214 G N -4.095 104.796 108.800 0.151 0.000 2.488 214 G HA2 0.317 4.564 3.960 0.208 0.000 0.301 214 G HA3 0.317 4.377 3.960 0.163 -0.002 0.301 214 G C -2.960 172.010 174.900 0.117 0.000 1.339 214 G CA 0.470 45.671 45.100 0.167 0.000 0.803 214 G HN -0.503 7.840 8.290 0.087 0.000 0.482 215 I N -1.162 119.482 120.570 0.124 0.000 2.382 215 I HA 0.581 4.968 4.170 0.078 -0.170 0.286 215 I C -0.768 175.427 176.117 0.130 0.000 1.002 215 I CA -3.700 57.661 61.300 0.103 0.000 1.135 215 I CB 0.565 38.620 38.000 0.092 0.000 1.288 215 I HN 0.133 8.427 8.210 0.139 0.000 0.448 216 N N 8.507 127.264 118.700 0.095 0.000 2.454 216 N HA -0.036 4.911 4.740 0.122 -0.134 0.260 216 N C 0.022 175.607 175.510 0.125 0.000 1.218 216 N CA 1.447 54.556 53.050 0.099 0.000 0.904 216 N CB 0.421 38.936 38.487 0.046 0.000 1.065 216 N HN 0.125 8.545 8.380 0.067 0.000 0.462 217 T N 3.686 118.337 114.554 0.162 0.000 3.250 217 T HA 0.460 5.175 4.350 0.209 -0.240 0.265 217 T C -0.301 174.472 174.700 0.122 0.000 0.973 217 T CA 0.511 62.727 62.100 0.193 0.000 1.040 217 T CB 2.315 71.366 68.868 0.304 0.000 1.167 217 T HN 0.265 8.601 8.240 0.159 0.000 0.471 218 L N 0.243 121.511 121.223 0.075 0.000 2.350 218 L HA 0.342 4.702 4.340 0.033 0.000 0.260 218 L C -2.085 174.858 176.870 0.122 0.000 1.015 218 L CA -0.965 53.908 54.840 0.056 0.000 0.821 218 L CB 4.055 46.080 42.059 -0.056 0.000 1.370 218 L HN -0.778 7.507 8.230 0.090 0.000 0.416 219 S N -0.001 115.763 115.700 0.107 0.000 2.557 219 S HA 0.209 4.844 4.470 0.080 -0.117 0.291 219 S C -0.810 173.885 174.600 0.159 0.000 1.116 219 S CA -1.792 56.471 58.200 0.105 0.000 0.992 219 S CB 1.523 64.758 63.200 0.059 0.000 1.028 219 S HN -0.051 8.303 8.310 0.073 0.000 0.484 220 F N 8.898 128.891 119.950 0.071 0.000 2.563 220 F HA -0.068 4.549 4.527 0.149 0.000 0.363 220 F C -1.418 174.410 175.800 0.046 0.000 1.123 220 F CA 2.294 60.357 58.000 0.105 0.000 1.307 220 F CB 0.826 39.888 39.000 0.103 0.000 1.115 220 F HN 0.051 8.526 8.300 0.292 0.000 0.592 228 T N 2.537 117.128 114.554 0.062 0.000 3.053 228 T HA 0.463 4.854 4.350 0.069 0.000 0.363 228 T C -1.983 172.763 174.700 0.078 0.000 1.239 228 T CA -2.709 59.429 62.100 0.064 0.000 1.071 228 T CB 0.356 69.249 68.868 0.043 0.000 1.089 228 T HN -0.134 8.138 8.240 0.054 0.000 0.527 229 P HA 0.145 4.618 4.420 0.088 0.000 0.271 229 P C -1.946 175.399 177.300 0.075 0.000 1.218 229 P CA -0.378 62.798 63.100 0.127 0.000 0.780 229 P CB 0.798 32.684 31.700 0.309 0.000 0.901 230 E N 1.642 121.858 120.200 0.026 0.000 2.234 230 E HA 0.032 4.394 4.350 0.020 0.000 0.266 230 E C 0.207 176.790 176.600 -0.027 0.000 0.877 230 E CA -0.458 55.947 56.400 0.007 0.000 0.758 230 E CB 1.235 30.938 29.700 0.004 0.000 1.170 230 E HN 0.111 8.475 8.360 0.007 0.000 0.415 231 G N 3.008 111.789 108.800 -0.033 0.000 2.221 231 G HA2 -0.392 3.532 3.960 -0.060 0.000 0.265 231 G HA3 -0.392 3.531 3.960 -0.062 0.000 0.265 231 G C -1.294 173.532 174.900 -0.124 0.000 1.041 231 G CA 0.407 45.468 45.100 -0.066 0.000 0.807 231 G HN 0.633 8.913 8.290 -0.016 0.000 0.502 232 I N 0.265 120.751 120.570 -0.140 0.000 2.437 232 I HA 0.111 4.078 4.170 -0.338 0.000 0.279 232 I C -1.902 174.000 176.117 -0.359 0.000 1.028 232 I CA -0.877 60.257 61.300 -0.278 0.000 1.142 232 I CB 0.521 38.360 38.000 -0.268 0.000 1.266 232 I HN -0.384 7.775 8.210 -0.084 0.000 0.461 233 G N 5.033 113.513 108.800 -0.533 0.000 2.605 233 G HA2 0.854 4.704 3.960 -0.365 0.000 0.296 233 G HA3 0.854 4.657 3.960 -0.263 0.000 0.296 233 G C -2.578 171.869 174.900 -0.756 0.000 1.304 233 G CA -1.325 43.490 45.100 -0.475 0.000 0.941 233 G HN 0.182 8.161 8.290 -0.519 0.000 0.475 234 F N -1.883 118.013 119.950 -0.090 0.000 2.576 234 F HA 0.944 5.652 4.527 -0.046 -0.209 0.313 234 F C -1.975 173.835 175.800 0.017 0.000 1.078 234 F CA -1.919 56.002 58.000 -0.132 0.000 0.921 234 F CB 5.050 43.708 39.000 -0.570 0.000 1.232 234 F HN 0.118 8.396 8.300 -0.037 0.000 0.459 235 A N 0.006 123.069 122.820 0.406 0.000 2.449 235 A HA 0.785 5.465 4.320 0.336 -0.158 0.302 235 A C -1.864 175.999 177.584 0.464 0.000 1.048 235 A CA -2.034 50.222 52.037 0.365 0.000 0.708 235 A CB 3.826 22.946 19.000 0.200 0.000 1.274 235 A HN 0.867 9.300 8.150 0.471 0.000 0.410 236 I N 2.693 123.456 120.570 0.322 0.000 2.517 236 I HA 0.314 4.451 4.170 -0.055 0.000 0.285 236 I C -0.992 175.170 176.117 0.076 0.000 1.106 236 I CA -3.116 58.234 61.300 0.083 0.000 1.402 236 I CB -0.468 37.542 38.000 0.018 0.000 1.399 236 I HN 0.020 8.415 8.210 0.307 0.000 0.535 237 P HA 0.071 4.703 4.420 0.114 -0.144 0.266 237 P C 1.241 178.536 177.300 -0.008 0.000 1.195 237 P CA -0.345 62.770 63.100 0.024 0.000 0.768 237 P CB 0.193 31.848 31.700 -0.075 0.000 0.838 238 F N 1.494 121.438 119.950 -0.011 0.000 2.269 238 F HA -0.369 4.153 4.527 -0.010 0.000 0.301 238 F C 1.222 177.008 175.800 -0.023 0.000 1.082 238 F CA 3.501 61.493 58.000 -0.014 0.000 1.360 238 F CB -0.860 38.133 39.000 -0.011 0.000 1.041 238 F HN -0.284 8.265 8.300 0.415 0.000 0.512 239 Q N -0.045 119.230 119.800 -0.876 0.000 2.020 239 Q HA -0.382 3.614 4.340 -0.574 0.000 0.202 239 Q C 2.058 177.895 176.000 -0.272 0.000 0.982 239 Q CA 3.669 59.099 55.803 -0.621 0.000 0.838 239 Q CB -0.919 27.441 28.738 -0.629 0.000 0.899 239 Q HN 0.062 7.639 8.270 -1.115 0.024 0.423 240 L N -1.111 119.977 121.223 -0.225 0.000 2.141 240 L HA -0.235 4.021 4.340 -0.139 0.000 0.209 240 L C 1.138 177.949 176.870 -0.097 0.000 1.094 240 L CA 2.308 57.059 54.840 -0.148 0.000 0.763 240 L CB -0.587 41.379 42.059 -0.155 0.000 0.908 240 L HN -0.685 7.394 8.230 -0.253 0.000 0.437 241 A N -1.502 121.278 122.820 -0.067 0.000 1.902 241 A HA -0.346 3.962 4.320 -0.021 0.000 0.217 241 A C 2.001 179.580 177.584 -0.009 0.000 1.181 241 A CA 3.395 55.423 52.037 -0.015 0.000 0.623 241 A CB -0.859 18.164 19.000 0.038 0.000 0.818 241 A HN -0.289 7.816 8.150 -0.073 0.000 0.443 242 T N -0.350 114.201 114.554 -0.004 0.000 2.867 242 T HA -0.408 3.951 4.350 0.014 0.000 0.268 242 T C 2.036 176.718 174.700 -0.031 0.000 1.057 242 T CA 4.695 66.796 62.100 0.002 0.000 1.136 242 T CB -0.273 68.613 68.868 0.030 0.000 0.874 242 T HN -0.321 7.913 8.240 -0.009 0.000 0.466 243 K N 1.636 122.005 120.400 -0.052 0.000 2.062 243 K HA -0.212 4.075 4.320 -0.054 0.000 0.205 243 K C 2.328 178.895 176.600 -0.055 0.000 1.051 243 K CA 3.353 59.605 56.287 -0.058 0.000 0.941 243 K CB -0.093 32.364 32.500 -0.072 0.000 0.719 243 K HN -0.792 7.419 8.250 -0.064 0.000 0.440 244 I N -0.213 120.325 120.570 -0.053 0.000 2.286 244 I HA -0.412 3.729 4.170 -0.049 0.000 0.248 244 I C 1.806 177.897 176.117 -0.045 0.000 1.115 244 I CA 2.860 64.132 61.300 -0.047 0.000 1.392 244 I CB -0.767 37.208 38.000 -0.042 0.000 1.065 244 I HN -0.269 7.908 8.210 -0.056 0.000 0.418 245 M N 1.030 120.605 119.600 -0.042 0.000 2.117 245 M HA -0.516 3.938 4.480 -0.044 0.000 0.262 245 M C 1.295 177.543 176.300 -0.087 0.000 1.065 245 M CA 4.577 59.847 55.300 -0.050 0.000 1.114 245 M CB -0.202 32.378 32.600 -0.033 0.000 1.361 245 M HN -0.506 7.762 8.290 -0.036 0.000 0.408 246 D N -1.257 119.095 120.400 -0.080 0.000 2.178 246 D HA -0.287 4.276 4.640 -0.128 0.000 0.201 246 D C 2.443 178.688 176.300 -0.092 0.000 0.980 246 D CA 3.370 57.312 54.000 -0.097 0.000 0.842 246 D CB -0.660 40.098 40.800 -0.071 0.000 0.948 246 D HN -0.455 7.876 8.370 -0.064 0.000 0.472 247 K N 0.552 120.910 120.400 -0.071 0.000 2.062 247 K HA -0.215 4.070 4.320 -0.058 0.000 0.205 247 K C 1.976 178.539 176.600 -0.061 0.000 1.051 247 K CA 3.004 59.255 56.287 -0.060 0.000 0.941 247 K CB 0.008 32.479 32.500 -0.048 0.000 0.719 247 K HN -0.765 7.434 8.250 -0.064 0.013 0.440 248 L N -2.656 118.530 121.223 -0.062 0.000 2.201 248 L HA -0.241 4.076 4.340 -0.039 0.000 0.212 248 L C 2.130 178.956 176.870 -0.073 0.000 1.105 248 L CA 2.455 57.264 54.840 -0.052 0.000 0.775 248 L CB 0.013 42.050 42.059 -0.037 0.000 0.913 248 L HN -0.505 7.688 8.230 -0.061 0.000 0.440 249 I N -3.895 116.597 120.570 -0.131 0.000 2.286 249 I HA -0.317 3.740 4.170 -0.188 0.000 0.245 249 I C 1.080 177.117 176.117 -0.133 0.000 1.104 249 I CA 2.326 63.503 61.300 -0.206 0.000 1.397 249 I CB 0.296 38.048 38.000 -0.413 0.000 1.072 249 I HN -0.548 7.559 8.210 -0.140 0.019 0.417 250 R N -2.384 118.053 120.500 -0.105 0.000 2.161 250 R HA -0.059 4.242 4.340 -0.065 0.000 0.213 250 R C 0.253 176.527 176.300 -0.043 0.000 1.055 250 R CA 0.917 56.976 56.100 -0.068 0.000 0.996 250 R CB 0.314 30.577 30.300 -0.061 0.000 0.901 250 R HN -0.771 7.435 8.270 -0.107 0.000 0.456 251 D N 0.000 120.375 120.400 -0.042 0.000 6.856 251 D HA 0.000 4.626 4.640 -0.023 0.000 0.175 251 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 251 D CB 0.000 40.784 40.800 -0.026 0.000 0.688 251 D HN 0.000 8.340 8.370 -0.050 0.000 0.683