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 1sh6_1_A DATA FIRST_RESID 8 DATA SEQUENCE ERDRVQKKTF TKWVNKHLIK HWRAEAQRHI SDLYEDLRDG HNLISLLEVL DATA SEQUENCE SGDSLPREKG RMRFHKLQNV QIALDYLRHR QVKLVNIRND DIADGNPKLT DATA SEQUENCE LGLIWTIILH FQISDIQVSG QSEDMTAKEK LLLWSQRMVE GYQGLRCDNF DATA SEQUENCE TTSWRDGRLF NAIIHRHKPM LIDMNKVYRQ TNLENLDQAF SVAERDLGVT DATA SEQUENCE RLLDPEDVDV PQPDEKSIIT YVSSLYDAMP 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 8 E HA 0.000 4.339 4.350 -0.019 0.000 0.291 8 E C 0.000 176.577 176.600 -0.038 0.000 1.382 8 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 8 E CB 0.000 29.688 29.700 -0.019 0.000 0.812 9 R N 0.733 121.205 120.500 -0.047 0.000 2.092 9 R HA -0.307 3.991 4.340 -0.069 0.000 0.231 9 R C 1.284 177.518 176.300 -0.109 0.000 1.119 9 R CA 3.247 59.303 56.100 -0.073 0.000 0.970 9 R CB -0.073 30.185 30.300 -0.071 0.000 0.864 9 R HN 0.506 8.751 8.270 -0.040 0.000 0.440 10 D N -2.088 118.259 120.400 -0.089 0.000 2.178 10 D HA -0.262 4.298 4.640 -0.133 0.000 0.201 10 D C 1.825 178.080 176.300 -0.074 0.000 0.980 10 D CA 3.979 57.926 54.000 -0.088 0.000 0.842 10 D CB -0.846 39.932 40.800 -0.037 0.000 0.948 10 D HN 0.480 8.809 8.370 -0.069 0.000 0.472 11 R N -0.799 119.669 120.500 -0.055 0.000 2.090 11 R HA -0.251 4.062 4.340 -0.046 0.000 0.228 11 R C 1.685 177.928 176.300 -0.094 0.000 1.110 11 R CA 3.067 59.133 56.100 -0.055 0.000 0.973 11 R CB -0.163 30.118 30.300 -0.033 0.000 0.869 11 R HN -0.689 7.553 8.270 -0.046 0.000 0.440 12 V N 0.326 120.180 119.914 -0.100 0.000 2.343 12 V HA -0.409 3.653 4.120 -0.097 0.000 0.247 12 V C 1.602 177.578 176.094 -0.197 0.000 1.051 12 V CA 4.342 66.572 62.300 -0.117 0.000 1.036 12 V CB -0.586 31.182 31.823 -0.092 0.000 0.654 12 V HN -0.602 7.535 8.190 -0.088 0.000 0.451 13 Q N 0.255 119.885 119.800 -0.284 0.000 2.050 13 Q HA -0.323 3.632 4.340 -0.641 0.000 0.202 13 Q C 2.232 177.876 176.000 -0.593 0.000 0.980 13 Q CA 3.373 58.825 55.803 -0.585 0.000 0.840 13 Q CB -0.220 28.131 28.738 -0.644 0.000 0.898 13 Q HN -0.154 7.890 8.270 -0.242 0.081 0.424 14 K N -0.742 119.471 120.400 -0.312 0.000 2.044 14 K HA -0.423 3.819 4.320 -0.130 0.000 0.210 14 K C 2.371 178.894 176.600 -0.127 0.000 1.049 14 K CA 3.538 59.713 56.287 -0.187 0.000 0.927 14 K CB -0.221 32.149 32.500 -0.217 0.000 0.713 14 K HN -0.470 7.634 8.250 -0.243 0.000 0.443 15 K N -1.855 118.466 120.400 -0.132 0.000 2.044 15 K HA -0.327 3.951 4.320 -0.070 0.000 0.210 15 K C 2.503 179.090 176.600 -0.021 0.000 1.049 15 K CA 3.352 59.592 56.287 -0.078 0.000 0.927 15 K CB -0.139 32.311 32.500 -0.083 0.000 0.713 15 K HN -0.458 7.703 8.250 -0.148 0.000 0.443 16 T N 1.805 116.339 114.554 -0.034 0.000 2.701 16 T HA -0.172 4.355 4.350 0.052 -0.146 0.263 16 T C 2.096 176.970 174.700 0.289 0.000 1.040 16 T CA 4.427 66.569 62.100 0.069 0.000 1.147 16 T CB -0.113 68.760 68.868 0.008 0.000 0.865 16 T HN -0.491 7.680 8.240 -0.116 0.000 0.426 17 F N 0.505 120.485 119.950 0.051 0.000 2.120 17 F HA -0.251 4.359 4.527 0.138 0.000 0.300 17 F C 2.218 178.102 175.800 0.140 0.000 1.095 17 F CA 1.787 59.849 58.000 0.105 0.000 1.249 17 F CB -1.287 37.756 39.000 0.072 0.000 0.995 17 F HN 0.257 8.688 8.300 0.219 0.000 0.480 18 T N 0.204 114.896 114.554 0.230 0.000 2.777 18 T HA -0.391 4.009 4.350 0.083 0.000 0.266 18 T C 2.098 176.832 174.700 0.056 0.000 1.040 18 T CA 5.039 67.191 62.100 0.087 0.000 1.141 18 T CB -0.216 68.646 68.868 -0.011 0.000 0.868 18 T HN -0.319 8.014 8.240 0.180 0.015 0.444 19 K N 0.647 121.096 120.400 0.083 0.000 2.097 19 K HA -0.179 4.139 4.320 -0.003 0.000 0.205 19 K C 2.121 178.763 176.600 0.070 0.000 1.050 19 K CA 2.926 59.242 56.287 0.049 0.000 0.938 19 K CB -0.798 31.733 32.500 0.053 0.000 0.718 19 K HN -0.752 7.558 8.250 0.099 0.000 0.442 20 W N 1.078 122.370 121.300 -0.014 0.000 2.338 20 W HA -0.363 4.233 4.660 -0.106 0.000 0.304 20 W C 1.831 178.308 176.519 -0.069 0.000 1.212 20 W CA 4.220 61.538 57.345 -0.044 0.000 1.264 20 W CB 0.128 29.615 29.460 0.045 0.000 1.142 20 W HN -0.326 8.086 8.180 0.386 0.000 0.512 21 V N -1.240 118.800 119.914 0.211 0.000 2.358 21 V HA -0.581 3.562 4.120 0.039 0.000 0.246 21 V C 2.057 178.075 176.094 -0.127 0.000 1.047 21 V CA 4.196 66.537 62.300 0.069 0.000 1.035 21 V CB -0.605 31.311 31.823 0.154 0.000 0.658 21 V HN -0.162 8.216 8.190 0.315 0.000 0.452 22 N N -0.553 118.068 118.700 -0.133 0.000 2.166 22 N HA -0.281 4.368 4.740 -0.151 0.000 0.186 22 N C 2.055 177.462 175.510 -0.172 0.000 1.019 22 N CA 2.988 55.941 53.050 -0.161 0.000 0.856 22 N CB -0.500 37.867 38.487 -0.200 0.000 0.993 22 N HN -0.363 7.962 8.380 -0.092 0.000 0.426 23 K N 0.030 120.263 120.400 -0.278 0.000 2.074 23 K HA -0.372 3.803 4.320 -0.241 0.000 0.209 23 K C 1.424 177.763 176.600 -0.436 0.000 1.048 23 K CA 3.169 59.228 56.287 -0.379 0.000 0.926 23 K CB -0.037 32.121 32.500 -0.569 0.000 0.713 23 K HN -0.449 7.632 8.250 -0.282 0.000 0.444 24 H N -1.961 116.885 119.070 -0.372 0.000 2.372 24 H HA -0.107 4.243 4.556 -0.344 0.000 0.301 24 H C 2.839 178.001 175.328 -0.277 0.000 1.065 24 H CA 2.389 58.206 56.048 -0.385 0.000 1.364 24 H CB 0.432 29.840 29.762 -0.591 0.000 1.406 24 H HN -0.830 7.072 8.280 -0.626 0.003 0.521 25 L N -0.653 120.499 121.223 -0.119 0.000 2.013 25 L HA -0.404 3.859 4.340 -0.128 0.000 0.212 25 L C 2.000 178.834 176.870 -0.061 0.000 1.073 25 L CA 3.394 58.175 54.840 -0.099 0.000 0.753 25 L CB -0.311 41.704 42.059 -0.074 0.000 0.890 25 L HN 0.101 8.252 8.230 -0.133 0.000 0.432 26 I N -8.798 111.742 120.570 -0.049 0.000 3.001 26 I HA -0.118 4.047 4.170 -0.008 0.000 0.268 26 I C 0.689 176.796 176.117 -0.016 0.000 1.267 26 I CA 1.963 63.251 61.300 -0.020 0.000 1.472 26 I CB -0.602 37.391 38.000 -0.011 0.000 1.089 26 I HN -0.549 7.622 8.210 -0.065 0.000 0.468 27 K N -2.660 117.722 120.400 -0.029 0.000 2.404 27 K HA -0.037 4.294 4.320 0.017 0.000 0.194 27 K C -0.153 176.467 176.600 0.033 0.000 1.023 27 K CA -0.754 55.534 56.287 0.003 0.000 1.094 27 K CB -0.209 32.288 32.500 -0.005 0.000 0.841 27 K HN -0.815 7.374 8.250 -0.053 0.030 0.523 28 H N 2.126 121.128 119.070 -0.112 0.000 3.092 28 H HA -0.234 4.150 4.556 -0.287 0.000 0.332 28 H C 0.974 176.227 175.328 -0.125 0.000 1.029 28 H CA 1.640 57.544 56.048 -0.240 0.000 1.376 28 H CB 0.987 30.525 29.762 -0.374 0.000 1.329 28 H HN -0.827 7.408 8.280 -0.005 0.042 0.598 29 W N 2.240 123.802 121.300 0.436 0.000 2.519 29 W HA -0.133 4.577 4.660 0.083 0.000 0.266 29 W C -0.469 176.050 176.519 -0.001 0.000 1.253 29 W CA 0.289 57.722 57.345 0.147 0.000 1.274 29 W CB 0.156 29.678 29.460 0.103 0.000 1.114 29 W HN 0.080 8.537 8.180 0.463 0.000 0.596 30 R N 1.649 121.811 120.500 -0.563 0.000 2.229 30 R HA 0.142 4.382 4.340 -0.166 0.000 0.328 30 R C 0.615 176.717 176.300 -0.329 0.000 1.009 30 R CA -1.488 54.345 56.100 -0.445 0.000 0.864 30 R CB 1.116 30.992 30.300 -0.706 0.000 1.085 30 R HN -0.854 6.723 8.270 -1.155 0.000 0.453 31 A N 8.713 131.441 122.820 -0.153 0.000 1.903 31 A HA -0.356 3.912 4.320 -0.085 0.000 0.219 31 A C 1.592 179.099 177.584 -0.127 0.000 1.191 31 A CA 3.304 55.277 52.037 -0.106 0.000 0.638 31 A CB -0.968 17.995 19.000 -0.061 0.000 0.823 31 A HN 0.929 9.017 8.150 -0.104 0.000 0.451 32 E N -2.870 117.242 120.200 -0.147 0.000 2.265 32 E HA -0.264 4.024 4.350 -0.103 0.000 0.196 32 E C 0.524 177.035 176.600 -0.148 0.000 0.996 32 E CA 1.832 58.154 56.400 -0.131 0.000 0.832 32 E CB -0.877 28.751 29.700 -0.121 0.000 0.756 32 E HN 0.365 8.632 8.360 -0.154 0.000 0.491 33 A N -2.468 120.214 122.820 -0.230 0.000 2.178 33 A HA 0.007 4.261 4.320 -0.110 0.000 0.211 33 A C -0.262 177.277 177.584 -0.076 0.000 1.157 33 A CA -0.183 51.749 52.037 -0.174 0.000 0.780 33 A CB 0.623 19.416 19.000 -0.344 0.000 0.828 33 A HN -0.467 7.360 8.150 -0.323 0.130 0.476 34 Q N -0.266 119.483 119.800 -0.085 0.000 2.613 34 Q HA -0.172 4.364 4.340 -0.007 -0.199 0.228 34 Q C -0.381 175.610 176.000 -0.016 0.000 1.318 34 Q CA 0.445 56.230 55.803 -0.030 0.000 0.907 34 Q CB -1.321 27.398 28.738 -0.031 0.000 1.593 34 Q HN -0.599 7.447 8.270 -0.120 0.152 0.559 35 R N 1.949 122.446 120.500 -0.004 0.000 2.923 35 R HA 0.155 4.506 4.340 0.018 0.000 0.252 35 R C -1.371 174.963 176.300 0.057 0.000 1.130 35 R CA -1.819 54.290 56.100 0.015 0.000 1.043 35 R CB 2.261 32.559 30.300 -0.002 0.000 1.205 35 R HN -0.458 7.808 8.270 -0.007 0.000 0.495 36 H N 0.253 119.302 119.070 -0.034 0.000 2.609 36 H HA 0.233 4.921 4.556 -0.033 -0.153 0.344 36 H C -0.337 174.978 175.328 -0.022 0.000 1.040 36 H CA -0.599 55.430 56.048 -0.031 0.000 1.216 36 H CB 1.998 31.741 29.762 -0.032 0.000 1.529 36 H HN 0.189 8.545 8.280 0.127 0.000 0.519 37 I N 6.207 126.561 120.570 -0.360 0.000 2.428 37 I HA -0.104 4.009 4.170 -0.094 0.000 0.289 37 I C -0.722 175.267 176.117 -0.214 0.000 1.019 37 I CA 0.428 61.597 61.300 -0.218 0.000 1.351 37 I CB 0.945 38.837 38.000 -0.181 0.000 1.412 37 I HN 0.161 8.410 8.210 -0.511 -0.346 0.513 38 S N 5.109 120.787 115.700 -0.036 0.000 2.460 38 S HA 0.113 4.602 4.470 0.032 0.000 0.226 38 S C -0.644 173.932 174.600 -0.041 0.000 1.057 38 S CA 0.928 59.130 58.200 0.002 0.000 0.948 38 S CB 1.714 64.933 63.200 0.033 0.000 0.822 38 S HN 0.205 8.770 8.310 -0.014 -0.263 0.512 39 D N 0.284 120.654 120.400 -0.050 0.000 2.696 39 D HA 0.254 4.816 4.640 -0.131 0.000 0.251 39 D C -0.655 175.588 176.300 -0.095 0.000 1.188 39 D CA -1.425 52.522 54.000 -0.089 0.000 0.876 39 D CB 2.463 43.236 40.800 -0.046 0.000 1.334 39 D HN -0.683 7.955 8.370 -0.034 -0.288 0.540 40 L N 4.719 125.825 121.223 -0.195 0.000 2.265 40 L HA -0.162 4.156 4.340 -0.037 0.000 0.215 40 L C 0.766 177.663 176.870 0.044 0.000 1.117 40 L CA 2.516 57.286 54.840 -0.116 0.000 0.782 40 L CB 0.250 42.198 42.059 -0.184 0.000 0.914 40 L HN 0.701 8.757 8.230 -0.291 0.000 0.441 41 Y N -5.778 114.540 120.300 0.029 0.000 2.457 41 Y HA -0.025 4.544 4.550 0.032 0.000 0.263 41 Y C 0.833 176.744 175.900 0.019 0.000 1.164 41 Y CA -1.818 56.298 58.100 0.026 0.000 1.274 41 Y CB -0.847 37.624 38.460 0.019 0.000 1.097 41 Y HN -0.024 8.509 8.280 -0.106 -0.317 0.523 42 E N -0.417 119.868 120.200 0.141 0.000 2.256 42 E HA 0.113 4.516 4.350 0.087 0.000 0.198 42 E C 1.527 178.164 176.600 0.063 0.000 0.908 42 E CA 1.528 57.979 56.400 0.085 0.000 0.915 42 E CB 0.895 30.628 29.700 0.056 0.000 0.890 42 E HN -0.549 7.839 8.360 0.099 0.031 0.484 43 D N 0.052 120.481 120.400 0.048 0.000 2.340 43 D HA 0.070 4.730 4.640 0.032 0.000 0.220 43 D C 0.494 176.820 176.300 0.043 0.000 1.039 43 D CA 1.699 55.718 54.000 0.032 0.000 0.866 43 D CB 0.010 40.814 40.800 0.006 0.000 0.913 43 D HN -0.130 8.267 8.370 0.044 0.000 0.523 44 L N -3.878 117.382 121.223 0.062 0.000 2.590 44 L HA 0.176 4.552 4.340 0.060 0.000 0.227 44 L C 1.535 178.445 176.870 0.067 0.000 1.099 44 L CA 0.020 54.900 54.840 0.068 0.000 0.872 44 L CB 0.070 42.179 42.059 0.084 0.000 1.088 44 L HN -0.462 7.770 8.230 0.075 0.042 0.479 45 R N 0.670 121.210 120.500 0.067 0.000 2.105 45 R HA -0.317 4.228 4.340 0.051 -0.175 0.239 45 R C 1.482 177.814 176.300 0.054 0.000 1.135 45 R CA 3.484 59.617 56.100 0.054 0.000 0.967 45 R CB -0.052 30.276 30.300 0.047 0.000 0.861 45 R HN -0.798 7.513 8.270 0.068 0.000 0.442 46 D N -6.043 114.404 120.400 0.079 0.000 2.349 46 D HA -0.052 4.645 4.640 0.094 0.000 0.224 46 D C 0.791 177.151 176.300 0.099 0.000 1.029 46 D CA -0.755 53.316 54.000 0.117 0.000 0.879 46 D CB -0.914 39.985 40.800 0.165 0.000 0.906 46 D HN -0.034 8.363 8.370 0.083 0.022 0.528 47 G N -0.323 108.509 108.800 0.054 0.000 2.284 47 G HA2 -0.549 3.414 3.960 0.005 0.000 0.261 47 G HA3 -0.549 3.386 3.960 -0.042 0.000 0.261 47 G C 0.539 175.406 174.900 -0.054 0.000 0.997 47 G CA 1.741 46.835 45.100 -0.010 0.000 0.621 47 G HN -0.237 7.923 8.290 0.061 0.167 0.534 48 H N 2.500 121.565 119.070 -0.008 0.000 2.353 48 H HA -0.268 4.270 4.556 -0.030 0.000 0.300 48 H C 2.487 177.795 175.328 -0.034 0.000 1.090 48 H CA 5.183 61.215 56.048 -0.026 0.000 1.327 48 H CB -0.189 29.554 29.762 -0.032 0.000 1.383 48 H HN -0.297 8.271 8.280 0.177 -0.182 0.508 49 N N -1.461 117.292 118.700 0.089 0.000 2.354 49 N HA -0.194 4.559 4.740 0.022 0.000 0.179 49 N C 1.164 176.668 175.510 -0.011 0.000 1.021 49 N CA 2.754 55.821 53.050 0.028 0.000 0.887 49 N CB -0.516 37.982 38.487 0.019 0.000 0.974 49 N HN -0.120 8.320 8.380 0.100 0.000 0.437 50 L N 0.570 121.792 121.223 -0.002 0.000 2.046 50 L HA -0.288 4.048 4.340 -0.007 0.000 0.208 50 L C 1.855 178.687 176.870 -0.064 0.000 1.077 50 L CA 3.374 58.205 54.840 -0.015 0.000 0.747 50 L CB -0.138 41.926 42.059 0.007 0.000 0.896 50 L HN -0.430 7.808 8.230 0.013 0.000 0.432 51 I N -0.923 119.599 120.570 -0.079 0.000 2.252 51 I HA -0.608 3.478 4.170 -0.139 0.000 0.245 51 I C 1.873 177.898 176.117 -0.154 0.000 1.102 51 I CA 4.395 65.622 61.300 -0.121 0.000 1.385 51 I CB -0.272 37.657 38.000 -0.118 0.000 1.064 51 I HN -0.455 7.715 8.210 -0.066 0.000 0.414 52 S N 0.692 116.321 115.700 -0.117 0.000 2.370 52 S HA -0.332 4.024 4.470 -0.190 0.000 0.226 52 S C 2.037 176.441 174.600 -0.327 0.000 1.033 52 S CA 3.118 61.211 58.200 -0.179 0.000 1.011 52 S CB 0.096 63.274 63.200 -0.036 0.000 0.852 52 S HN -0.468 7.798 8.310 -0.072 0.000 0.457 53 L N 2.333 123.419 121.223 -0.229 0.000 2.046 53 L HA -0.248 3.916 4.340 -0.292 0.000 0.208 53 L C 1.021 177.678 176.870 -0.355 0.000 1.077 53 L CA 2.986 57.671 54.840 -0.259 0.000 0.747 53 L CB -0.267 41.713 42.059 -0.131 0.000 0.896 53 L HN -0.268 7.866 8.230 -0.159 0.000 0.432 54 L N -2.538 118.500 121.223 -0.309 0.000 2.093 54 L HA -0.496 3.581 4.340 -0.439 0.000 0.208 54 L C 2.146 178.759 176.870 -0.428 0.000 1.085 54 L CA 3.293 57.901 54.840 -0.386 0.000 0.755 54 L CB -0.757 41.093 42.059 -0.349 0.000 0.904 54 L HN -0.566 7.518 8.230 -0.244 0.000 0.435 55 E N -0.413 119.562 120.200 -0.375 0.000 2.038 55 E HA -0.343 4.075 4.350 -0.127 -0.145 0.195 55 E C 2.781 179.261 176.600 -0.200 0.000 1.000 55 E CA 2.988 59.240 56.400 -0.247 0.000 0.803 55 E CB 0.101 29.608 29.700 -0.320 0.000 0.750 55 E HN -0.345 7.797 8.360 -0.362 0.000 0.448 56 V N -3.396 116.251 119.914 -0.446 0.000 2.427 56 V HA -0.309 3.768 4.120 -0.073 0.000 0.248 56 V C 0.974 176.898 176.094 -0.284 0.000 1.051 56 V CA 2.997 65.118 62.300 -0.299 0.000 1.048 56 V CB -0.359 31.236 31.823 -0.379 0.000 0.666 56 V HN -0.544 7.300 8.190 -0.577 0.000 0.456 57 L N -3.788 117.137 121.223 -0.497 0.000 2.156 57 L HA -0.205 3.778 4.340 -0.594 0.000 0.208 57 L C 1.702 178.327 176.870 -0.408 0.000 1.095 57 L CA 1.939 56.378 54.840 -0.669 0.000 0.770 57 L CB 0.145 41.434 42.059 -1.283 0.000 0.914 57 L HN -0.517 7.383 8.230 -0.550 0.000 0.439 58 S N -3.583 111.976 115.700 -0.235 0.000 2.492 58 S HA 0.028 4.642 4.470 0.240 0.000 0.218 58 S C 1.595 176.249 174.600 0.090 0.000 1.016 58 S CA 0.632 58.893 58.200 0.101 0.000 0.916 58 S CB 1.999 65.361 63.200 0.270 0.000 0.791 58 S HN -0.305 7.834 8.310 -0.285 0.000 0.513 59 G N 2.484 111.319 108.800 0.059 0.000 2.196 59 G HA2 -0.355 3.681 3.960 0.086 0.000 0.268 59 G HA3 -0.355 3.595 3.960 -0.018 0.000 0.268 59 G C -0.297 174.617 174.900 0.023 0.000 0.975 59 G CA 0.741 45.865 45.100 0.041 0.000 0.648 59 G HN -0.263 8.053 8.290 0.044 0.000 0.538 60 D N 1.309 121.774 120.400 0.108 0.000 2.329 60 D HA 0.133 4.820 4.640 0.078 0.000 0.246 60 D C -0.888 175.527 176.300 0.191 0.000 1.111 60 D CA 0.190 54.258 54.000 0.114 0.000 0.941 60 D CB 1.282 42.183 40.800 0.168 0.000 1.169 60 D HN -0.408 7.959 8.370 0.111 0.069 0.441 61 S N 0.654 116.455 115.700 0.169 0.000 2.437 61 S HA 0.231 5.055 4.470 0.368 -0.133 0.305 61 S C -0.962 173.701 174.600 0.105 0.000 1.109 61 S CA -0.356 57.982 58.200 0.230 0.000 1.099 61 S CB 1.172 64.487 63.200 0.193 0.000 1.004 61 S HN 0.042 8.423 8.310 0.118 0.000 0.475 62 L N 5.597 126.857 121.223 0.061 0.000 2.333 62 L HA 0.505 4.856 4.340 0.018 0.000 0.269 62 L C -2.258 174.619 176.870 0.011 0.000 1.010 62 L CA -3.369 51.471 54.840 0.000 0.000 0.818 62 L CB 0.824 42.824 42.059 -0.098 0.000 1.306 62 L HN 0.310 8.980 8.230 0.077 -0.393 0.430 63 P HA 0.004 4.430 4.420 0.009 0.000 0.270 63 P C -1.669 175.616 177.300 -0.025 0.000 1.223 63 P CA -0.270 62.831 63.100 0.002 0.000 0.785 63 P CB 0.634 32.339 31.700 0.008 0.000 0.923 64 R N -1.419 119.062 120.500 -0.032 0.000 2.626 64 R HA 0.097 4.368 4.340 -0.114 0.000 0.274 64 R C -1.167 175.098 176.300 -0.059 0.000 1.031 64 R CA -0.918 55.135 56.100 -0.078 0.000 0.898 64 R CB 3.240 33.497 30.300 -0.072 0.000 1.222 64 R HN -0.116 8.144 8.270 -0.018 0.000 0.455 65 E N 5.112 125.258 120.200 -0.090 0.000 2.109 65 E HA 0.157 4.485 4.350 -0.037 0.000 0.278 65 E C -0.376 176.154 176.600 -0.117 0.000 0.954 65 E CA -0.970 55.392 56.400 -0.064 0.000 0.779 65 E CB 0.583 30.308 29.700 0.042 0.000 1.093 65 E HN 0.222 8.856 8.360 -0.140 -0.358 0.401 66 K N 4.236 124.568 120.400 -0.114 0.000 2.097 66 K HA -0.111 4.246 4.320 0.062 0.000 0.205 66 K C 1.285 177.763 176.600 -0.202 0.000 1.050 66 K CA 1.053 57.293 56.287 -0.078 0.000 0.938 66 K CB 0.122 32.580 32.500 -0.071 0.000 0.718 66 K HN 0.329 8.520 8.250 -0.099 0.000 0.442 67 G N -2.352 106.128 108.800 -0.533 0.000 2.268 67 G HA2 -0.151 3.711 3.960 -0.164 0.000 0.330 67 G HA3 -0.151 3.516 3.960 -0.489 0.000 0.330 67 G C -0.146 174.697 174.900 -0.095 0.000 1.413 67 G CA 0.347 45.222 45.100 -0.375 0.000 1.094 67 G HN -0.450 7.368 8.290 -0.787 0.000 0.581 68 R N -1.668 118.919 120.500 0.146 0.000 2.164 68 R HA 0.046 4.444 4.340 0.097 0.000 0.198 68 R C 0.840 177.288 176.300 0.248 0.000 1.028 68 R CA -0.486 55.709 56.100 0.157 0.000 1.083 68 R CB 0.198 30.556 30.300 0.097 0.000 1.026 68 R HN 0.298 8.702 8.270 0.224 0.000 0.514 69 M N -0.121 119.690 119.600 0.351 0.000 2.148 69 M HA -0.302 4.253 4.480 0.126 0.000 0.312 69 M C 1.023 177.391 176.300 0.114 0.000 0.932 69 M CA 0.318 55.723 55.300 0.176 0.000 0.978 69 M CB 1.487 34.090 32.600 0.004 0.000 1.454 69 M HN -0.213 8.340 8.290 0.438 0.000 0.431 70 R N 1.901 122.421 120.500 0.035 0.000 2.070 70 R HA -0.347 3.953 4.340 -0.066 0.000 0.233 70 R C 1.521 177.752 176.300 -0.115 0.000 1.137 70 R CA 3.674 59.717 56.100 -0.095 0.000 0.945 70 R CB -0.209 29.934 30.300 -0.262 0.000 0.845 70 R HN 0.490 8.790 8.270 0.049 0.000 0.430 71 F N -4.848 115.069 119.950 -0.056 0.000 2.546 71 F HA -0.124 4.384 4.527 -0.030 0.000 0.298 71 F C 2.117 177.881 175.800 -0.061 0.000 1.120 71 F CA 2.386 60.345 58.000 -0.068 0.000 1.456 71 F CB -1.013 37.931 39.000 -0.095 0.000 1.088 71 F HN 0.055 8.475 8.300 0.200 0.000 0.572 72 H N -0.572 118.584 119.070 0.142 0.000 2.389 72 H HA -0.002 4.816 4.556 0.081 -0.213 0.299 72 H C 2.457 177.814 175.328 0.048 0.000 1.081 72 H CA 3.631 59.732 56.048 0.087 0.000 1.345 72 H CB -0.396 29.420 29.762 0.090 0.000 1.393 72 H HN -0.455 7.715 8.280 0.016 0.120 0.520 73 K N -0.135 120.360 120.400 0.160 0.000 2.032 73 K HA -0.244 4.318 4.320 0.088 -0.189 0.209 73 K C 2.353 178.979 176.600 0.044 0.000 1.048 73 K CA 3.371 59.706 56.287 0.080 0.000 0.927 73 K CB -0.112 32.410 32.500 0.037 0.000 0.712 73 K HN -0.569 7.771 8.250 0.149 0.000 0.441 74 L N -2.171 119.071 121.223 0.032 0.000 2.012 74 L HA -0.417 3.933 4.340 0.017 0.000 0.210 74 L C 2.141 179.046 176.870 0.059 0.000 1.073 74 L CA 3.189 58.050 54.840 0.035 0.000 0.748 74 L CB -0.486 41.599 42.059 0.044 0.000 0.891 74 L HN -0.635 7.604 8.230 0.016 0.000 0.431 75 Q N -1.957 117.894 119.800 0.085 0.000 2.077 75 Q HA -0.477 3.905 4.340 0.070 0.000 0.206 75 Q C 2.545 178.564 176.000 0.032 0.000 0.989 75 Q CA 3.648 59.496 55.803 0.074 0.000 0.853 75 Q CB -0.244 28.561 28.738 0.112 0.000 0.907 75 Q HN -0.386 7.950 8.270 0.109 0.000 0.418 76 N N -1.142 117.560 118.700 0.002 0.000 2.216 76 N HA -0.207 4.488 4.740 -0.075 0.000 0.183 76 N C 2.263 177.752 175.510 -0.036 0.000 1.017 76 N CA 2.883 55.893 53.050 -0.066 0.000 0.861 76 N CB -0.180 38.196 38.487 -0.184 0.000 0.986 76 N HN -0.615 7.777 8.380 0.019 0.000 0.428 77 V N 0.655 120.566 119.914 -0.005 0.000 2.343 77 V HA -0.421 3.704 4.120 0.009 0.000 0.247 77 V C 1.579 177.687 176.094 0.023 0.000 1.051 77 V CA 4.580 66.887 62.300 0.012 0.000 1.036 77 V CB -0.663 31.172 31.823 0.021 0.000 0.654 77 V HN -0.100 8.092 8.190 0.004 0.000 0.451 78 Q N -0.001 119.816 119.800 0.029 0.000 2.124 78 Q HA -0.271 4.093 4.340 0.041 0.000 0.202 78 Q C 2.461 178.487 176.000 0.043 0.000 0.977 78 Q CA 2.655 58.481 55.803 0.039 0.000 0.850 78 Q CB -0.747 28.017 28.738 0.043 0.000 0.901 78 Q HN -0.318 7.970 8.270 0.029 0.000 0.429 79 I N -0.842 119.747 120.570 0.032 0.000 2.208 79 I HA -0.573 3.627 4.170 0.049 0.000 0.245 79 I C 1.403 177.560 176.117 0.066 0.000 1.097 79 I CA 4.146 65.469 61.300 0.038 0.000 1.363 79 I CB -0.396 37.606 38.000 0.003 0.000 1.051 79 I HN -0.186 8.036 8.210 0.021 0.000 0.413 80 A N -0.335 122.510 122.820 0.042 0.000 1.873 80 A HA -0.304 4.052 4.320 0.060 0.000 0.215 80 A C 2.042 179.694 177.584 0.113 0.000 1.186 80 A CA 3.233 55.308 52.037 0.063 0.000 0.616 80 A CB -0.661 18.354 19.000 0.025 0.000 0.823 80 A HN -0.656 7.506 8.150 0.020 0.000 0.442 81 L N -2.477 118.792 121.223 0.077 0.000 2.046 81 L HA -0.507 3.875 4.340 0.070 0.000 0.208 81 L C 2.297 179.213 176.870 0.077 0.000 1.077 81 L CA 3.009 57.891 54.840 0.070 0.000 0.747 81 L CB -0.653 41.435 42.059 0.048 0.000 0.896 81 L HN -0.196 8.070 8.230 0.060 0.000 0.432 82 D N -0.395 120.056 120.400 0.085 0.000 2.117 82 D HA -0.310 4.370 4.640 0.067 0.000 0.197 82 D C 2.118 178.486 176.300 0.114 0.000 0.987 82 D CA 3.564 57.615 54.000 0.085 0.000 0.829 82 D CB -0.378 40.469 40.800 0.078 0.000 0.961 82 D HN -0.057 8.361 8.370 0.080 0.000 0.460 83 Y N 1.221 121.536 120.300 0.026 0.000 2.102 83 Y HA -0.513 4.056 4.550 0.031 0.000 0.280 83 Y C 1.803 177.727 175.900 0.041 0.000 1.178 83 Y CA 3.519 61.640 58.100 0.034 0.000 1.146 83 Y CB 0.114 38.591 38.460 0.028 0.000 0.968 83 Y HN -0.163 8.269 8.280 0.254 0.000 0.504 84 L N -3.681 117.597 121.223 0.092 0.000 2.072 84 L HA -0.314 3.945 4.340 -0.134 0.000 0.205 84 L C 2.625 179.423 176.870 -0.120 0.000 1.079 84 L CA 2.299 57.109 54.840 -0.051 0.000 0.752 84 L CB -1.290 40.773 42.059 0.006 0.000 0.906 84 L HN -0.629 7.704 8.230 0.172 0.000 0.436 85 R N -0.883 119.592 120.500 -0.041 0.000 2.081 85 R HA -0.296 4.164 4.340 -0.065 -0.159 0.235 85 R C 2.848 179.110 176.300 -0.063 0.000 1.131 85 R CA 3.269 59.342 56.100 -0.045 0.000 0.960 85 R CB -0.337 29.959 30.300 -0.007 0.000 0.856 85 R HN -0.177 8.094 8.270 0.001 0.000 0.436 86 H N -0.234 118.751 119.070 -0.142 0.000 2.489 86 H HA -0.142 4.347 4.556 -0.112 0.000 0.295 86 H C 0.538 175.741 175.328 -0.209 0.000 1.082 86 H CA 2.635 58.587 56.048 -0.159 0.000 1.295 86 H CB 0.183 29.846 29.762 -0.166 0.000 1.380 86 H HN -0.138 8.179 8.280 0.061 0.000 0.548 87 R N -2.304 118.076 120.500 -0.201 0.000 2.480 87 R HA 0.182 4.413 4.340 -0.182 0.000 0.277 87 R C -1.378 174.821 176.300 -0.168 0.000 1.008 87 R CA -0.817 55.153 56.100 -0.217 0.000 1.090 87 R CB 0.214 30.328 30.300 -0.310 0.000 1.234 87 R HN -0.800 7.197 8.270 -0.220 0.141 0.549 88 Q N -6.592 113.114 119.800 -0.157 0.000 2.494 88 Q HA -0.400 3.877 4.340 -0.106 0.000 0.266 88 Q C -1.444 174.497 176.000 -0.098 0.000 1.053 88 Q CA 0.630 56.367 55.803 -0.111 0.000 1.029 88 Q CB -2.886 25.802 28.738 -0.083 0.000 1.423 88 Q HN -0.173 7.926 8.270 -0.170 0.069 0.516 89 V N 1.473 121.302 119.914 -0.142 0.000 2.432 89 V HA -0.063 4.003 4.120 -0.090 0.000 0.275 89 V C -0.646 175.403 176.094 -0.076 0.000 1.043 89 V CA -0.493 61.731 62.300 -0.127 0.000 0.925 89 V CB 0.273 31.963 31.823 -0.222 0.000 0.985 89 V HN -0.289 7.799 8.190 -0.170 0.000 0.466 90 K N 8.261 128.632 120.400 -0.049 0.000 2.310 90 K HA -0.017 4.286 4.320 -0.028 0.000 0.290 90 K C -1.102 175.489 176.600 -0.015 0.000 1.077 90 K CA -0.129 56.142 56.287 -0.027 0.000 0.922 90 K CB -0.092 32.397 32.500 -0.017 0.000 1.057 90 K HN 0.384 8.607 8.250 -0.045 0.000 0.479 91 L N 7.200 128.418 121.223 -0.009 0.000 2.314 91 L HA 0.234 4.581 4.340 0.011 0.000 0.275 91 L C 0.511 177.389 176.870 0.013 0.000 1.068 91 L CA -2.407 52.437 54.840 0.006 0.000 0.894 91 L CB -0.400 41.663 42.059 0.007 0.000 1.275 91 L HN 0.534 8.757 8.230 -0.011 0.000 0.432 92 V N 4.280 124.207 119.914 0.021 0.000 2.250 92 V HA -0.349 3.779 4.120 0.014 0.000 0.250 92 V C -0.412 175.691 176.094 0.016 0.000 1.060 92 V CA 2.363 64.674 62.300 0.019 0.000 1.030 92 V CB 0.044 31.884 31.823 0.028 0.000 0.643 92 V HN 0.276 8.483 8.190 0.028 0.000 0.445 93 N N -2.264 116.447 118.700 0.019 0.000 2.752 93 N HA 0.014 4.862 4.740 0.015 -0.098 0.268 93 N C -1.807 173.714 175.510 0.018 0.000 1.190 93 N CA -0.510 52.550 53.050 0.016 0.000 0.897 93 N CB 1.339 39.834 38.487 0.013 0.000 1.515 93 N HN -0.608 7.786 8.380 0.022 0.000 0.567 94 I N 3.214 123.796 120.570 0.020 0.000 2.582 94 I HA 0.256 4.438 4.170 0.019 0.000 0.292 94 I C -1.468 174.661 176.117 0.020 0.000 1.066 94 I CA -0.713 60.600 61.300 0.021 0.000 1.053 94 I CB 3.079 41.095 38.000 0.028 0.000 1.241 94 I HN 0.335 8.556 8.210 0.019 0.000 0.421 95 R N 3.362 123.872 120.500 0.017 0.000 2.691 95 R HA 0.353 4.706 4.340 0.021 0.000 0.259 95 R C 0.740 177.051 176.300 0.019 0.000 1.048 95 R CA -1.066 55.045 56.100 0.018 0.000 1.086 95 R CB 1.825 32.134 30.300 0.015 0.000 1.166 95 R HN 0.167 8.776 8.270 0.015 -0.330 0.526 96 N N 0.633 119.346 118.700 0.021 0.000 2.104 96 N HA -0.408 4.345 4.740 0.023 0.000 0.190 96 N C 1.591 177.104 175.510 0.005 0.000 1.024 96 N CA 3.895 56.956 53.050 0.019 0.000 0.853 96 N CB -0.406 38.097 38.487 0.027 0.000 1.008 96 N HN 0.592 8.987 8.380 0.025 0.000 0.424 97 D N -1.519 118.879 120.400 -0.003 0.000 2.133 97 D HA -0.322 4.295 4.640 -0.038 0.000 0.195 97 D C 1.892 178.182 176.300 -0.017 0.000 0.997 97 D CA 3.645 57.632 54.000 -0.020 0.000 0.840 97 D CB -0.632 40.157 40.800 -0.018 0.000 0.947 97 D HN 0.284 8.653 8.370 0.003 0.003 0.452 98 D N -0.848 119.548 120.400 -0.006 0.000 2.123 98 D HA -0.250 4.381 4.640 -0.015 0.000 0.196 98 D C 2.087 178.386 176.300 -0.002 0.000 0.992 98 D CA 3.224 57.220 54.000 -0.007 0.000 0.833 98 D CB -0.309 40.491 40.800 0.000 0.000 0.954 98 D HN -0.552 7.818 8.370 -0.001 0.000 0.455 99 I N -1.249 119.328 120.570 0.010 0.000 2.400 99 I HA -0.034 4.156 4.170 0.033 0.000 0.248 99 I C 2.891 179.021 176.117 0.021 0.000 1.109 99 I CA 0.083 61.399 61.300 0.026 0.000 1.425 99 I CB -0.789 37.233 38.000 0.036 0.000 1.094 99 I HN -0.747 7.459 8.210 0.011 0.011 0.425 100 A N 0.761 123.584 122.820 0.004 0.000 1.972 100 A HA -0.240 4.278 4.320 0.008 -0.194 0.219 100 A C 0.843 178.419 177.584 -0.014 0.000 1.169 100 A CA 2.709 54.742 52.037 -0.007 0.000 0.635 100 A CB -0.136 18.844 19.000 -0.033 0.000 0.810 100 A HN -0.045 8.105 8.150 -0.000 0.000 0.446 101 D N -5.968 114.420 120.400 -0.021 0.000 2.355 101 D HA -0.073 4.553 4.640 -0.025 0.000 0.218 101 D C 0.652 176.944 176.300 -0.013 0.000 1.004 101 D CA 0.678 54.664 54.000 -0.023 0.000 0.880 101 D CB 0.208 40.989 40.800 -0.033 0.000 0.911 101 D HN -0.153 8.100 8.370 -0.022 0.104 0.528 102 G N -1.086 107.714 108.800 0.000 0.000 2.149 102 G HA2 -0.396 3.593 3.960 0.048 0.000 0.235 102 G HA3 -0.396 3.669 3.960 0.027 -0.089 0.235 102 G C -0.106 174.749 174.900 -0.074 0.000 1.018 102 G CA 0.173 45.279 45.100 0.011 0.000 0.728 102 G HN -0.621 7.520 8.290 0.005 0.152 0.508 103 N N 1.126 119.778 118.700 -0.081 0.000 2.440 103 N HA 0.054 4.700 4.740 -0.157 0.000 0.265 103 N C -0.391 174.966 175.510 -0.255 0.000 1.239 103 N CA -1.691 51.275 53.050 -0.140 0.000 0.909 103 N CB 1.307 39.746 38.487 -0.081 0.000 1.066 103 N HN -0.476 7.875 8.380 -0.048 0.000 0.474 104 P HA -0.237 3.460 4.420 -1.204 0.000 0.215 104 P C 1.205 178.345 177.300 -0.267 0.000 1.157 104 P CA 2.852 65.501 63.100 -0.751 0.000 0.868 104 P CB 0.051 31.239 31.700 -0.853 0.000 0.788 105 K N -2.387 117.922 120.400 -0.152 0.000 2.057 105 K HA -0.274 4.030 4.320 -0.028 0.000 0.207 105 K C 2.115 178.721 176.600 0.010 0.000 1.049 105 K CA 3.755 60.014 56.287 -0.047 0.000 0.931 105 K CB -0.622 31.854 32.500 -0.040 0.000 0.714 105 K HN 0.212 8.366 8.250 -0.161 0.000 0.440 106 L N -2.769 118.451 121.223 -0.005 0.000 2.156 106 L HA -0.227 4.143 4.340 0.049 0.000 0.208 106 L C 2.413 179.326 176.870 0.073 0.000 1.095 106 L CA 2.484 57.344 54.840 0.033 0.000 0.770 106 L CB -0.180 41.887 42.059 0.013 0.000 0.914 106 L HN -0.191 8.016 8.230 -0.039 0.000 0.439 107 T N 2.308 116.907 114.554 0.074 0.000 2.708 107 T HA -0.396 4.035 4.350 0.135 0.000 0.266 107 T C 2.110 176.953 174.700 0.239 0.000 1.037 107 T CA 5.077 67.268 62.100 0.152 0.000 1.146 107 T CB -0.064 68.920 68.868 0.193 0.000 0.865 107 T HN -0.283 7.972 8.240 0.024 0.000 0.435 108 L N -0.423 120.966 121.223 0.278 0.000 2.046 108 L HA -0.357 4.299 4.340 0.526 0.000 0.208 108 L C 2.178 179.274 176.870 0.377 0.000 1.077 108 L CA 3.010 58.084 54.840 0.389 0.000 0.747 108 L CB -0.515 41.718 42.059 0.289 0.000 0.896 108 L HN 0.073 8.437 8.230 0.224 0.000 0.432 109 G N -1.946 106.999 108.800 0.243 0.000 2.442 109 G HA2 -0.347 3.787 3.960 0.289 0.000 0.219 109 G HA3 -0.347 3.717 3.960 0.173 0.000 0.219 109 G C 0.960 175.983 174.900 0.206 0.000 1.141 109 G CA 2.149 47.388 45.100 0.232 0.000 0.763 109 G HN 0.006 8.406 8.290 0.184 0.000 0.554 110 L N 1.266 122.579 121.223 0.150 0.000 2.131 110 L HA -0.038 4.351 4.340 0.082 0.000 0.206 110 L C 1.507 178.415 176.870 0.063 0.000 1.087 110 L CA 2.514 57.413 54.840 0.098 0.000 0.767 110 L CB 0.073 42.185 42.059 0.089 0.000 0.917 110 L HN -0.626 7.676 8.230 0.154 0.020 0.441 111 I N -1.438 119.171 120.570 0.064 0.000 2.315 111 I HA -0.383 3.762 4.170 -0.041 0.000 0.248 111 I C 1.720 177.650 176.117 -0.310 0.000 1.117 111 I CA 2.443 63.691 61.300 -0.087 0.000 1.404 111 I CB -1.137 36.812 38.000 -0.084 0.000 1.071 111 I HN -0.577 7.710 8.210 0.129 0.000 0.419 112 W N 1.114 122.157 121.300 -0.429 0.000 2.355 112 W HA -0.471 3.770 4.660 -0.699 0.000 0.309 112 W C 1.649 178.027 176.519 -0.235 0.000 1.206 112 W CA 3.277 60.380 57.345 -0.403 0.000 1.284 112 W CB 0.268 29.695 29.460 -0.056 0.000 1.145 112 W HN -0.042 8.214 8.180 0.127 0.000 0.502 113 T N 1.833 116.289 114.554 -0.164 0.000 2.720 113 T HA -0.474 3.659 4.350 -0.361 0.000 0.268 113 T C 2.196 176.769 174.700 -0.212 0.000 1.037 113 T CA 5.609 67.571 62.100 -0.231 0.000 1.144 113 T CB -0.341 68.498 68.868 -0.048 0.000 0.864 113 T HN -0.491 7.774 8.240 0.040 0.000 0.444 114 I N 1.420 121.920 120.570 -0.116 0.000 2.202 114 I HA -0.506 3.776 4.170 0.186 0.000 0.242 114 I C 1.681 177.791 176.117 -0.011 0.000 1.091 114 I CA 4.486 65.828 61.300 0.070 0.000 1.368 114 I CB -0.170 37.917 38.000 0.146 0.000 1.058 114 I HN -0.531 7.531 8.210 -0.106 0.084 0.410 115 I N -0.119 120.178 120.570 -0.455 0.000 2.163 115 I HA -0.596 3.159 4.170 -0.692 0.000 0.243 115 I C 2.044 177.842 176.117 -0.533 0.000 1.085 115 I CA 4.518 65.385 61.300 -0.722 0.000 1.347 115 I CB -0.392 36.948 38.000 -1.100 0.000 1.044 115 I HN -0.247 7.630 8.210 -0.555 0.000 0.408 116 L N -1.456 119.317 121.223 -0.751 0.000 2.012 116 L HA -0.563 3.378 4.340 -0.665 0.000 0.210 116 L C 1.621 178.282 176.870 -0.348 0.000 1.073 116 L CA 3.687 58.138 54.840 -0.648 0.000 0.748 116 L CB -0.479 41.130 42.059 -0.750 0.000 0.891 116 L HN -0.093 7.579 8.230 -0.930 0.000 0.431 117 H N -0.576 118.289 119.070 -0.341 0.000 2.326 117 H HA -0.306 4.042 4.556 -0.347 0.000 0.301 117 H C 2.580 177.681 175.328 -0.377 0.000 1.081 117 H CA 4.164 59.990 56.048 -0.371 0.000 1.334 117 H CB 0.789 30.269 29.762 -0.470 0.000 1.385 117 H HN -0.677 7.416 8.280 -0.150 0.097 0.504 118 F N -4.051 115.887 119.950 -0.020 0.000 2.530 118 F HA -0.058 4.447 4.527 -0.037 0.000 0.292 118 F C 1.409 177.197 175.800 -0.021 0.000 1.109 118 F CA 2.734 60.741 58.000 0.011 0.000 1.450 118 F CB 0.964 40.047 39.000 0.138 0.000 1.114 118 F HN -0.189 8.233 8.300 0.204 0.000 0.560 119 Q N -0.967 118.910 119.800 0.128 0.000 2.477 119 Q HA 0.058 4.476 4.340 0.131 0.000 0.252 119 Q C 1.272 177.236 176.000 -0.061 0.000 0.869 119 Q CA 1.661 57.521 55.803 0.096 0.000 0.969 119 Q CB 1.804 30.689 28.738 0.245 0.000 1.144 119 Q HN -0.065 8.233 8.270 0.047 0.000 0.577 120 I N 0.346 120.807 120.570 -0.182 0.000 2.703 120 I HA -0.064 3.977 4.170 -0.214 0.000 0.259 120 I C 1.397 177.377 176.117 -0.229 0.000 1.151 120 I CA 2.127 63.287 61.300 -0.234 0.000 1.470 120 I CB 1.052 38.865 38.000 -0.312 0.000 1.112 120 I HN -0.509 7.565 8.210 -0.226 0.000 0.437 121 S N -0.321 115.242 115.700 -0.229 0.000 2.561 121 S HA -0.154 4.196 4.470 -0.200 0.000 0.225 121 S C 0.535 175.027 174.600 -0.179 0.000 0.977 121 S CA 1.924 59.993 58.200 -0.218 0.000 0.926 121 S CB -0.270 62.766 63.200 -0.273 0.000 0.769 121 S HN -0.314 7.853 8.310 -0.240 0.000 0.533 122 D N -0.049 120.262 120.400 -0.148 0.000 2.340 122 D HA 0.043 4.631 4.640 -0.088 0.000 0.220 122 D C -0.192 176.061 176.300 -0.077 0.000 1.039 122 D CA -0.677 53.272 54.000 -0.086 0.000 0.866 122 D CB -0.574 40.210 40.800 -0.027 0.000 0.913 122 D HN -0.108 8.122 8.370 -0.145 0.053 0.523 123 I N 1.746 122.193 120.570 -0.205 0.000 2.792 123 I HA -0.390 3.502 4.170 -0.462 0.000 0.284 123 I C -0.779 175.248 176.117 -0.151 0.000 1.166 123 I CA 1.589 62.663 61.300 -0.375 0.000 1.375 123 I CB -1.195 36.428 38.000 -0.629 0.000 1.421 123 I HN -0.833 7.182 8.210 -0.231 0.056 0.544 124 Q N 8.999 128.786 119.800 -0.021 0.000 2.325 124 Q HA 0.219 4.569 4.340 0.016 0.000 0.270 124 Q C -1.769 174.305 176.000 0.123 0.000 1.020 124 Q CA -0.901 54.928 55.803 0.043 0.000 0.785 124 Q CB 2.545 31.316 28.738 0.056 0.000 1.259 124 Q HN -0.169 8.138 8.270 0.062 0.000 0.452 125 V N 1.414 121.399 119.914 0.119 0.000 2.680 125 V HA 0.419 4.669 4.120 0.216 0.000 0.309 125 V C -1.081 175.091 176.094 0.131 0.000 1.052 125 V CA -2.488 59.922 62.300 0.184 0.000 0.908 125 V CB 3.838 35.827 31.823 0.276 0.000 1.001 125 V HN 0.073 8.315 8.190 0.086 0.000 0.431 126 S N 6.646 122.426 115.700 0.132 0.000 2.544 126 S HA -0.146 4.373 4.470 0.082 0.000 0.290 126 S C 0.947 175.597 174.600 0.082 0.000 1.276 126 S CA 1.301 59.558 58.200 0.095 0.000 1.075 126 S CB -0.531 62.722 63.200 0.088 0.000 0.849 126 S HN 0.559 8.962 8.310 0.155 0.000 0.494 127 G N 3.448 112.286 108.800 0.063 0.000 2.141 127 G HA2 -0.331 3.655 3.960 0.044 0.000 0.242 127 G HA3 -0.331 3.660 3.960 0.052 0.000 0.242 127 G C -0.514 174.418 174.900 0.052 0.000 0.982 127 G CA -0.183 44.949 45.100 0.052 0.000 0.662 127 G HN 0.597 8.922 8.290 0.058 0.000 0.527 128 Q N -1.003 118.832 119.800 0.059 0.000 2.492 128 Q HA -0.134 4.241 4.340 0.059 0.000 0.238 128 Q C -0.535 175.489 176.000 0.040 0.000 1.045 128 Q CA -0.242 55.594 55.803 0.055 0.000 0.934 128 Q CB 1.006 29.779 28.738 0.059 0.000 1.276 128 Q HN -0.692 7.565 8.270 0.065 0.051 0.521 129 S N 0.728 116.450 115.700 0.036 0.000 2.580 129 S HA 0.082 4.567 4.470 0.025 0.000 0.274 129 S C 1.644 176.258 174.600 0.023 0.000 1.329 129 S CA -1.284 56.932 58.200 0.028 0.000 1.036 129 S CB 1.090 64.306 63.200 0.026 0.000 0.919 129 S HN 0.163 8.496 8.310 0.039 0.000 0.515 130 E N 5.561 125.772 120.200 0.018 0.000 2.049 130 E HA -0.286 4.071 4.350 0.011 0.000 0.198 130 E C 0.444 177.050 176.600 0.010 0.000 1.007 130 E CA 3.609 60.016 56.400 0.012 0.000 0.809 130 E CB 0.208 29.914 29.700 0.009 0.000 0.749 130 E HN 0.684 9.055 8.360 0.017 0.000 0.450 131 D N -2.920 117.487 120.400 0.012 0.000 3.068 131 D HA 0.239 4.885 4.640 0.010 0.000 0.327 131 D C -0.634 175.677 176.300 0.019 0.000 1.361 131 D CA -0.597 53.410 54.000 0.012 0.000 0.877 131 D CB -1.232 39.574 40.800 0.010 0.000 1.088 131 D HN -0.339 8.039 8.370 0.013 0.000 0.489 132 M N 1.971 121.584 119.600 0.023 0.000 2.242 132 M HA 0.195 4.909 4.480 0.034 -0.214 0.344 132 M C 0.957 177.274 176.300 0.028 0.000 1.140 132 M CA 0.588 55.906 55.300 0.031 0.000 1.160 132 M CB 1.582 34.205 32.600 0.039 0.000 1.491 132 M HN -0.523 7.673 8.290 0.023 0.108 0.459 133 T N 1.568 116.145 114.554 0.039 0.000 2.813 133 T HA 0.015 4.377 4.350 0.019 0.000 0.297 133 T C 0.709 175.425 174.700 0.027 0.000 1.036 133 T CA -0.243 61.878 62.100 0.034 0.000 1.044 133 T CB 1.292 70.194 68.868 0.056 0.000 0.993 133 T HN 0.582 9.227 8.240 0.048 -0.376 0.535 134 A N 0.990 123.808 122.820 -0.004 0.000 1.978 134 A HA -0.284 4.008 4.320 -0.047 0.000 0.220 134 A C 1.909 179.496 177.584 0.004 0.000 1.170 134 A CA 3.426 55.441 52.037 -0.036 0.000 0.636 134 A CB -0.572 18.371 19.000 -0.095 0.000 0.810 134 A HN 0.523 8.664 8.150 -0.014 0.000 0.448 135 K N -2.526 117.919 120.400 0.074 0.000 2.103 135 K HA -0.223 4.193 4.320 0.161 0.000 0.204 135 K C 1.931 178.705 176.600 0.291 0.000 1.052 135 K CA 2.515 58.920 56.287 0.197 0.000 0.945 135 K CB -0.937 31.718 32.500 0.258 0.000 0.722 135 K HN 0.169 8.464 8.250 0.074 0.000 0.443 136 E N -0.419 119.886 120.200 0.176 0.000 2.106 136 E HA -0.319 4.123 4.350 0.153 0.000 0.192 136 E C 2.422 179.104 176.600 0.137 0.000 0.984 136 E CA 2.769 59.254 56.400 0.142 0.000 0.806 136 E CB -0.287 29.466 29.700 0.089 0.000 0.750 136 E HN -0.624 7.731 8.360 0.133 0.085 0.458 137 K N -1.851 118.611 120.400 0.104 0.000 2.211 137 K HA -0.222 4.157 4.320 0.097 0.000 0.203 137 K C 2.364 179.039 176.600 0.125 0.000 1.050 137 K CA 2.949 59.287 56.287 0.085 0.000 0.945 137 K CB -0.137 32.369 32.500 0.010 0.000 0.732 137 K HN -0.130 8.168 8.250 0.080 0.000 0.451 138 L N 0.288 121.607 121.223 0.160 0.000 2.131 138 L HA -0.182 4.214 4.340 0.093 0.000 0.206 138 L C 1.161 178.362 176.870 0.551 0.000 1.087 138 L CA 2.718 57.708 54.840 0.250 0.000 0.767 138 L CB -0.196 41.961 42.059 0.163 0.000 0.917 138 L HN -0.676 7.553 8.230 0.165 0.099 0.441 139 L N -0.957 120.566 121.223 0.501 0.000 2.127 139 L HA -0.302 4.183 4.340 0.241 0.000 0.211 139 L C 1.221 178.221 176.870 0.217 0.000 1.089 139 L CA 3.219 58.201 54.840 0.236 0.000 0.757 139 L CB -0.272 41.737 42.059 -0.083 0.000 0.899 139 L HN -0.475 8.029 8.230 0.456 0.000 0.434 140 L N -1.742 119.620 121.223 0.231 0.000 2.127 140 L HA -0.012 4.654 4.340 0.112 -0.260 0.203 140 L C 1.695 178.710 176.870 0.241 0.000 1.080 140 L CA 2.510 57.453 54.840 0.171 0.000 0.768 140 L CB -0.448 41.700 42.059 0.148 0.000 0.924 140 L HN -0.660 7.575 8.230 0.247 0.143 0.444 141 W N 0.166 121.545 121.300 0.132 0.000 2.318 141 W HA -0.544 4.219 4.660 0.172 0.000 0.313 141 W C 1.568 178.208 176.519 0.202 0.000 1.221 141 W CA 4.536 61.990 57.345 0.183 0.000 1.266 141 W CB -0.002 29.598 29.460 0.235 0.000 1.150 141 W HN -0.476 7.983 8.180 0.466 0.000 0.496 142 S N -0.904 115.040 115.700 0.406 0.000 2.348 142 S HA -0.520 3.868 4.470 -0.137 0.000 0.221 142 S C 2.184 176.734 174.600 -0.084 0.000 1.033 142 S CA 3.372 61.663 58.200 0.152 0.000 1.010 142 S CB -0.258 63.262 63.200 0.533 0.000 0.891 142 S HN -0.288 8.269 8.310 0.578 0.100 0.442 143 Q N 0.989 120.782 119.800 -0.012 0.000 2.062 143 Q HA -0.455 3.832 4.340 -0.089 0.000 0.209 143 Q C 2.738 178.690 176.000 -0.080 0.000 0.996 143 Q CA 3.192 58.960 55.803 -0.059 0.000 0.859 143 Q CB -0.156 28.570 28.738 -0.019 0.000 0.920 143 Q HN -0.325 7.980 8.270 0.059 0.000 0.415 144 R N -0.504 119.952 120.500 -0.073 0.000 2.105 144 R HA -0.298 4.016 4.340 -0.042 0.000 0.239 144 R C 2.134 178.342 176.300 -0.153 0.000 1.135 144 R CA 2.767 58.820 56.100 -0.079 0.000 0.967 144 R CB -0.255 30.025 30.300 -0.032 0.000 0.861 144 R HN -0.279 7.968 8.270 -0.039 0.000 0.442 145 M N -4.774 114.626 119.600 -0.332 0.000 2.279 145 M HA -0.187 4.108 4.480 -0.309 0.000 0.264 145 M C 0.592 176.800 176.300 -0.154 0.000 1.062 145 M CA 1.689 56.767 55.300 -0.370 0.000 1.099 145 M CB -0.050 32.110 32.600 -0.732 0.000 1.394 145 M HN -0.165 7.863 8.290 -0.436 0.000 0.426 146 V N -9.013 110.832 119.914 -0.114 0.000 3.070 146 V HA 0.387 4.601 4.120 0.156 0.000 0.345 146 V C 0.689 176.851 176.094 0.113 0.000 1.403 146 V CA -2.390 59.919 62.300 0.015 0.000 1.155 146 V CB -0.326 31.402 31.823 -0.158 0.000 1.140 146 V HN -0.544 7.420 8.190 -0.142 0.141 0.505 147 E N 2.793 123.025 120.200 0.052 0.000 2.118 147 E HA -0.320 4.032 4.350 0.003 0.000 0.195 147 E C 0.538 177.155 176.600 0.028 0.000 0.992 147 E CA 2.671 59.083 56.400 0.020 0.000 0.804 147 E CB -0.793 28.906 29.700 -0.002 0.000 0.741 147 E HN -0.741 7.636 8.360 0.028 0.000 0.458 148 G N -1.479 107.342 108.800 0.034 0.000 2.595 148 G HA2 0.005 3.932 3.960 -0.055 0.000 0.213 148 G HA3 0.005 3.889 3.960 -0.127 0.000 0.213 148 G C -0.423 174.427 174.900 -0.084 0.000 1.141 148 G CA -0.553 44.511 45.100 -0.062 0.000 0.806 148 G HN 0.134 8.444 8.290 0.071 0.023 0.530 149 Y N -0.370 119.895 120.300 -0.058 0.000 2.597 149 Y HA -0.304 4.201 4.550 -0.075 0.000 0.336 149 Y C -0.158 175.709 175.900 -0.054 0.000 1.216 149 Y CA -0.297 57.766 58.100 -0.062 0.000 1.463 149 Y CB 0.442 38.870 38.460 -0.053 0.000 1.303 149 Y HN -0.811 7.679 8.280 0.350 0.000 0.576 150 Q N 3.406 123.242 119.800 0.059 0.000 2.409 150 Q HA -0.124 4.199 4.340 -0.028 0.000 0.240 150 Q C 0.688 176.704 176.000 0.027 0.000 1.226 150 Q CA -0.071 55.721 55.803 -0.017 0.000 0.895 150 Q CB -1.850 26.822 28.738 -0.110 0.000 1.491 150 Q HN 0.328 8.627 8.270 0.048 0.000 0.509 151 G N 4.107 112.923 108.800 0.025 0.000 2.160 151 G HA2 -0.350 3.613 3.960 0.005 0.000 0.251 151 G HA3 -0.350 3.624 3.960 0.023 0.000 0.251 151 G C -0.961 173.955 174.900 0.028 0.000 1.008 151 G CA -0.032 45.081 45.100 0.023 0.000 0.724 151 G HN 0.318 8.616 8.290 0.014 0.000 0.514 152 L N -2.182 119.061 121.223 0.034 0.000 2.281 152 L HA 0.266 4.573 4.340 -0.055 0.000 0.285 152 L C -0.209 176.608 176.870 -0.089 0.000 1.074 152 L CA -1.049 53.766 54.840 -0.041 0.000 0.817 152 L CB -1.065 40.951 42.059 -0.072 0.000 1.168 152 L HN -0.710 7.558 8.230 0.063 0.000 0.434 153 R N 3.523 123.951 120.500 -0.121 0.000 2.457 153 R HA 0.104 4.373 4.340 -0.119 0.000 0.284 153 R C -0.689 175.468 176.300 -0.239 0.000 1.024 153 R CA -0.246 55.770 56.100 -0.142 0.000 1.025 153 R CB 1.286 31.519 30.300 -0.110 0.000 1.063 153 R HN 0.125 8.324 8.270 -0.117 0.000 0.493 154 C N 5.746 124.906 119.300 -0.232 0.000 2.206 154 C HA 0.196 4.422 4.460 -0.390 0.000 0.324 154 C C -0.620 174.260 174.990 -0.183 0.000 1.120 154 C CA -0.992 57.853 59.018 -0.288 0.000 1.546 154 C CB -1.386 26.187 27.740 -0.279 0.000 2.023 154 C HN 0.567 8.688 8.230 -0.183 0.000 0.448 155 D N 7.676 127.979 120.400 -0.161 0.000 2.271 155 D HA 0.110 4.690 4.640 -0.100 0.000 0.206 155 D C -0.790 175.441 176.300 -0.115 0.000 0.967 155 D CA 1.811 55.744 54.000 -0.112 0.000 0.867 155 D CB 1.255 42.007 40.800 -0.080 0.000 0.960 155 D HN 0.152 8.418 8.370 -0.174 0.000 0.509 156 N N -5.837 112.794 118.700 -0.114 0.000 3.039 156 N HA 0.024 4.666 4.740 -0.162 0.000 0.257 156 N C -1.934 173.605 175.510 0.049 0.000 1.497 156 N CA -0.823 52.180 53.050 -0.078 0.000 0.861 156 N CB 1.593 40.095 38.487 0.025 0.000 1.479 156 N HN -1.020 7.294 8.380 -0.109 0.000 0.547 157 F N -3.938 116.181 119.950 0.281 0.000 2.750 157 F HA 0.395 5.125 4.527 0.338 0.000 0.297 157 F C -0.247 175.658 175.800 0.175 0.000 1.138 157 F CA -0.931 57.206 58.000 0.229 0.000 1.346 157 F CB -0.480 38.557 39.000 0.061 0.000 0.965 157 F HN 0.627 9.065 8.300 0.230 0.000 0.514 158 T N -0.659 114.126 114.554 0.384 0.000 3.409 158 T HA 0.272 4.775 4.350 0.254 0.000 0.188 158 T C 1.958 176.825 174.700 0.278 0.000 0.929 158 T CA 1.797 64.059 62.100 0.270 0.000 1.184 158 T CB 0.358 69.316 68.868 0.149 0.000 1.570 158 T HN 0.162 8.879 8.240 0.336 -0.276 0.367 159 T N 2.244 116.893 114.554 0.159 0.000 2.867 159 T HA -0.187 4.219 4.350 0.092 0.000 0.268 159 T C 2.188 176.914 174.700 0.043 0.000 1.057 159 T CA 4.132 66.284 62.100 0.086 0.000 1.136 159 T CB -1.121 67.770 68.868 0.038 0.000 0.874 159 T HN -0.412 7.981 8.240 0.130 -0.075 0.466 160 S N 3.037 118.746 115.700 0.014 0.000 2.469 160 S HA -0.245 4.105 4.470 -0.199 0.000 0.238 160 S C 0.388 174.747 174.600 -0.402 0.000 0.998 160 S CA 2.914 60.989 58.200 -0.207 0.000 0.957 160 S CB -0.092 62.918 63.200 -0.317 0.000 0.764 160 S HN -0.643 7.956 8.310 0.067 -0.249 0.514 161 W N -2.469 118.779 121.300 -0.087 0.000 3.114 161 W HA 0.105 4.581 4.660 -0.308 0.000 0.279 161 W C 1.273 177.767 176.519 -0.043 0.000 1.277 161 W CA 0.919 58.163 57.345 -0.170 0.000 1.630 161 W CB 0.320 29.703 29.460 -0.128 0.000 1.087 161 W HN -0.439 7.868 8.180 0.282 0.042 0.637 162 R N 1.036 121.629 120.500 0.155 0.000 2.094 162 R HA -0.362 4.260 4.340 0.185 -0.171 0.239 162 R C 0.741 177.090 176.300 0.081 0.000 1.137 162 R CA 3.316 59.496 56.100 0.133 0.000 0.943 162 R CB -0.110 30.229 30.300 0.065 0.000 0.850 162 R HN -0.638 7.704 8.270 0.121 0.000 0.433 163 D N -7.262 113.136 120.400 -0.004 0.000 2.349 163 D HA -0.017 4.730 4.640 -0.025 -0.122 0.224 163 D C 0.664 176.940 176.300 -0.041 0.000 1.029 163 D CA -0.281 53.693 54.000 -0.043 0.000 0.879 163 D CB -0.433 40.298 40.800 -0.115 0.000 0.906 163 D HN -0.118 8.227 8.370 -0.041 0.000 0.528 164 G N -0.077 108.745 108.800 0.038 0.000 2.225 164 G HA2 -0.561 3.600 3.960 0.336 0.000 0.254 164 G HA3 -0.561 3.430 3.960 0.052 0.000 0.254 164 G C 0.503 175.413 174.900 0.017 0.000 0.988 164 G CA 1.276 46.442 45.100 0.110 0.000 0.625 164 G HN -0.353 7.935 8.290 0.077 0.048 0.527 165 R N 1.458 121.870 120.500 -0.146 0.000 2.070 165 R HA -0.391 3.833 4.340 -0.192 0.000 0.233 165 R C 1.506 177.671 176.300 -0.225 0.000 1.137 165 R CA 3.890 59.855 56.100 -0.224 0.000 0.945 165 R CB -0.143 29.942 30.300 -0.359 0.000 0.845 165 R HN -0.359 8.053 8.270 -0.179 -0.249 0.430 166 L N -1.804 119.196 121.223 -0.373 0.000 2.021 166 L HA -0.402 3.646 4.340 -0.487 0.000 0.215 166 L C 2.235 179.005 176.870 -0.168 0.000 1.074 166 L CA 3.221 57.746 54.840 -0.524 0.000 0.760 166 L CB -0.505 40.815 42.059 -1.232 0.000 0.889 166 L HN 0.037 8.008 8.230 -0.432 0.000 0.433 167 F N -2.915 117.113 119.950 0.130 0.000 2.146 167 F HA -0.377 4.437 4.527 0.478 0.000 0.298 167 F C 2.508 178.399 175.800 0.152 0.000 1.096 167 F CA 3.664 61.856 58.000 0.320 0.000 1.275 167 F CB -0.719 38.513 39.000 0.385 0.000 1.008 167 F HN -0.822 7.522 8.300 0.073 0.000 0.480 168 N N -0.347 118.494 118.700 0.236 0.000 2.084 168 N HA -0.414 4.434 4.740 0.181 0.000 0.190 168 N C 1.681 177.212 175.510 0.034 0.000 1.030 168 N CA 3.893 57.021 53.050 0.130 0.000 0.849 168 N CB 0.085 38.611 38.487 0.063 0.000 1.012 168 N HN -0.340 8.158 8.380 0.195 0.000 0.423 169 A N 0.960 123.680 122.820 -0.165 0.000 1.908 169 A HA -0.249 3.719 4.320 -0.587 0.000 0.218 169 A C 2.093 179.470 177.584 -0.346 0.000 1.181 169 A CA 2.970 54.682 52.037 -0.541 0.000 0.627 169 A CB -0.508 17.914 19.000 -0.962 0.000 0.818 169 A HN 0.057 8.104 8.150 -0.171 0.000 0.445 170 I N -2.875 117.626 120.570 -0.116 0.000 2.226 170 I HA -0.477 3.639 4.170 -0.089 0.000 0.245 170 I C 1.800 177.989 176.117 0.120 0.000 1.100 170 I CA 3.871 65.178 61.300 0.012 0.000 1.374 170 I CB 0.172 38.281 38.000 0.181 0.000 1.057 170 I HN -0.258 7.914 8.210 -0.063 0.000 0.413 171 I N -2.804 117.888 120.570 0.203 0.000 2.252 171 I HA -0.433 3.904 4.170 0.278 0.000 0.245 171 I C 1.588 177.832 176.117 0.211 0.000 1.102 171 I CA 2.565 64.010 61.300 0.243 0.000 1.385 171 I CB 0.622 38.778 38.000 0.259 0.000 1.064 171 I HN -0.815 7.446 8.210 0.217 0.080 0.414 172 H N 0.928 120.056 119.070 0.098 0.000 4.997 172 H HA -0.201 4.431 4.556 0.127 0.000 0.161 172 H C -1.674 173.714 175.328 0.099 0.000 1.063 172 H CA 1.468 57.586 56.048 0.116 0.000 1.376 172 H CB -1.983 27.869 29.762 0.149 0.000 1.589 172 H HN 0.042 8.499 8.280 0.295 0.000 0.922 173 R N 0.578 121.063 120.500 -0.025 0.000 2.532 173 R HA 0.098 4.413 4.340 -0.041 0.000 0.312 173 R C -0.665 175.387 176.300 -0.414 0.000 0.923 173 R CA 0.215 56.219 56.100 -0.160 0.000 1.115 173 R CB 2.588 32.803 30.300 -0.141 0.000 1.703 173 R HN 0.114 8.281 8.270 -0.051 0.073 0.498 174 H N -6.953 112.145 119.070 0.046 0.000 3.234 174 H HA 0.244 4.796 4.556 -0.007 0.000 0.253 174 H C -0.603 174.730 175.328 0.009 0.000 1.171 174 H CA -0.355 55.703 56.048 0.017 0.000 0.990 174 H CB 1.835 31.620 29.762 0.039 0.000 2.344 174 H HN -0.518 7.641 8.280 -0.202 0.000 0.713 175 K N 0.978 121.482 120.400 0.174 0.000 3.237 175 K HA 0.470 4.837 4.320 0.077 0.000 0.197 175 K C -1.646 174.944 176.600 -0.016 0.000 1.133 175 K CA -3.232 53.112 56.287 0.095 0.000 0.944 175 K CB -0.742 31.837 32.500 0.132 0.000 0.952 175 K HN -0.249 8.092 8.250 0.152 0.000 0.515 176 P HA -0.180 3.632 4.420 -1.013 0.000 0.217 176 P C -0.252 176.982 177.300 -0.111 0.000 1.151 176 P CA 2.250 65.045 63.100 -0.509 0.000 0.849 176 P CB -0.008 31.379 31.700 -0.521 0.000 0.787 177 M N -5.956 113.624 119.600 -0.034 0.000 2.213 177 M HA -0.200 4.298 4.480 0.031 0.000 0.263 177 M C 1.184 177.520 176.300 0.060 0.000 1.062 177 M CA 2.282 57.597 55.300 0.025 0.000 1.105 177 M CB -0.442 32.173 32.600 0.024 0.000 1.385 177 M HN -0.298 7.961 8.290 -0.039 0.007 0.417 178 L N -4.607 116.660 121.223 0.073 0.000 2.446 178 L HA 0.035 4.421 4.340 0.077 0.000 0.219 178 L C 0.820 177.759 176.870 0.115 0.000 1.116 178 L CA 0.006 54.900 54.840 0.089 0.000 0.844 178 L CB 0.295 42.408 42.059 0.089 0.000 0.970 178 L HN -0.366 7.762 8.230 0.065 0.142 0.457 179 I N -5.601 115.067 120.570 0.164 0.000 2.689 179 I HA 0.182 4.437 4.170 0.142 0.000 0.299 179 I C -2.086 174.180 176.117 0.248 0.000 1.059 179 I CA -1.653 59.760 61.300 0.188 0.000 1.055 179 I CB 3.557 41.674 38.000 0.194 0.000 1.243 179 I HN -0.844 7.473 8.210 0.180 0.000 0.425 180 D N 4.760 125.258 120.400 0.164 0.000 2.460 180 D HA 0.190 4.922 4.640 0.154 0.000 0.232 180 D C -0.274 176.089 176.300 0.104 0.000 1.079 180 D CA -1.595 52.485 54.000 0.133 0.000 0.864 180 D CB 0.599 41.455 40.800 0.094 0.000 1.048 180 D HN 0.196 8.646 8.370 0.133 0.000 0.523 181 M N 3.902 123.544 119.600 0.071 0.000 2.374 181 M HA -0.268 4.274 4.480 0.103 0.000 0.264 181 M C 1.736 178.115 176.300 0.132 0.000 1.067 181 M CA 1.705 57.051 55.300 0.076 0.000 1.103 181 M CB -0.584 32.010 32.600 -0.010 0.000 1.402 181 M HN 0.538 8.859 8.290 0.052 0.000 0.444 182 N N 0.491 119.229 118.700 0.064 0.000 2.039 182 N HA -0.304 4.452 4.740 0.027 0.000 0.193 182 N C 2.023 177.593 175.510 0.100 0.000 1.044 182 N CA 3.499 56.582 53.050 0.055 0.000 0.847 182 N CB -0.018 38.480 38.487 0.018 0.000 1.030 182 N HN -0.334 8.162 8.380 0.046 -0.088 0.422 183 K N -0.116 120.332 120.400 0.080 0.000 2.113 183 K HA -0.298 4.059 4.320 0.063 0.000 0.208 183 K C 2.814 179.467 176.600 0.088 0.000 1.047 183 K CA 2.780 59.111 56.287 0.073 0.000 0.928 183 K CB -0.069 32.466 32.500 0.059 0.000 0.716 183 K HN -0.631 7.907 8.250 0.069 -0.247 0.446 184 V N 0.179 120.164 119.914 0.118 0.000 2.287 184 V HA -0.371 3.940 4.120 0.036 -0.169 0.248 184 V C 2.676 178.817 176.094 0.077 0.000 1.053 184 V CA 4.384 66.737 62.300 0.089 0.000 1.027 184 V CB -0.272 31.605 31.823 0.091 0.000 0.646 184 V HN -0.458 7.701 8.190 0.127 0.107 0.447 185 Y N -4.329 115.962 120.300 -0.015 0.000 2.583 185 Y HA -0.174 4.364 4.550 -0.021 0.000 0.293 185 Y C 0.823 176.716 175.900 -0.012 0.000 1.157 185 Y CA 2.048 60.138 58.100 -0.017 0.000 1.315 185 Y CB -0.839 37.610 38.460 -0.018 0.000 1.021 185 Y HN -0.716 7.860 8.280 0.492 0.000 0.536 186 R N -3.648 116.925 120.500 0.121 0.000 2.290 186 R HA -0.016 4.360 4.340 0.060 0.000 0.197 186 R C 0.306 176.621 176.300 0.026 0.000 0.913 186 R CA 0.078 56.215 56.100 0.062 0.000 1.040 186 R CB 0.886 31.219 30.300 0.055 0.000 0.992 186 R HN -0.620 7.572 8.270 0.130 0.156 0.500 187 Q N -2.487 117.319 119.800 0.010 0.000 2.193 187 Q HA 0.130 4.550 4.340 0.002 -0.079 0.246 187 Q C 0.553 176.539 176.000 -0.023 0.000 0.959 187 Q CA -0.449 55.351 55.803 -0.005 0.000 0.904 187 Q CB 2.176 30.910 28.738 -0.005 0.000 1.238 187 Q HN -0.731 7.440 8.270 0.008 0.103 0.469 188 T N -0.612 113.929 114.554 -0.020 0.000 2.766 188 T HA 0.016 4.350 4.350 -0.027 0.000 0.295 188 T C 0.923 175.601 174.700 -0.037 0.000 1.024 188 T CA -0.825 61.259 62.100 -0.026 0.000 1.018 188 T CB 1.692 70.550 68.868 -0.016 0.000 1.002 188 T HN 0.551 9.104 8.240 -0.014 -0.322 0.532 189 N N 0.683 119.362 118.700 -0.035 0.000 2.104 189 N HA -0.277 4.603 4.740 -0.045 -0.167 0.190 189 N C 2.388 177.876 175.510 -0.036 0.000 1.024 189 N CA 3.601 56.632 53.050 -0.033 0.000 0.853 189 N CB -0.716 37.762 38.487 -0.014 0.000 1.008 189 N HN 0.534 8.897 8.380 -0.029 0.000 0.424 190 L N 0.096 121.302 121.223 -0.029 0.000 2.056 190 L HA -0.366 3.952 4.340 -0.037 0.000 0.207 190 L C 1.918 178.755 176.870 -0.056 0.000 1.078 190 L CA 3.236 58.056 54.840 -0.034 0.000 0.749 190 L CB -0.329 41.721 42.059 -0.014 0.000 0.901 190 L HN -0.066 8.137 8.230 -0.022 0.015 0.433 191 E N -0.599 119.576 120.200 -0.043 0.000 2.077 191 E HA -0.448 3.881 4.350 -0.035 0.000 0.193 191 E C 2.626 179.188 176.600 -0.063 0.000 0.989 191 E CA 3.364 59.740 56.400 -0.041 0.000 0.800 191 E CB -0.437 29.250 29.700 -0.022 0.000 0.746 191 E HN -0.614 7.726 8.360 -0.034 0.000 0.452 192 N N -0.197 118.462 118.700 -0.068 0.000 2.120 192 N HA -0.215 4.493 4.740 -0.052 0.000 0.188 192 N C 2.391 177.809 175.510 -0.153 0.000 1.024 192 N CA 2.808 55.813 53.050 -0.075 0.000 0.852 192 N CB -0.087 38.361 38.487 -0.065 0.000 1.003 192 N HN -0.628 7.716 8.380 -0.059 0.000 0.424 193 L N -0.630 120.454 121.223 -0.232 0.000 2.027 193 L HA -0.376 3.527 4.340 -0.727 0.000 0.206 193 L C 1.597 178.001 176.870 -0.776 0.000 1.074 193 L CA 4.042 58.514 54.840 -0.614 0.000 0.745 193 L CB -0.326 41.445 42.059 -0.479 0.000 0.898 193 L HN -0.189 7.940 8.230 -0.168 0.000 0.433 194 D N -1.288 118.911 120.400 -0.335 0.000 2.092 194 D HA -0.414 4.172 4.640 -0.089 0.000 0.193 194 D C 1.741 177.984 176.300 -0.097 0.000 0.994 194 D CA 3.664 57.575 54.000 -0.149 0.000 0.828 194 D CB -0.042 40.727 40.800 -0.052 0.000 0.963 194 D HN -0.394 7.838 8.370 -0.230 0.000 0.450 195 Q N -0.036 119.713 119.800 -0.085 0.000 2.014 195 Q HA -0.436 3.911 4.340 0.011 0.000 0.207 195 Q C 2.089 178.087 176.000 -0.005 0.000 0.993 195 Q CA 3.245 59.036 55.803 -0.021 0.000 0.850 195 Q CB -0.012 28.723 28.738 -0.006 0.000 0.916 195 Q HN -0.499 7.716 8.270 -0.092 0.000 0.417 196 A N 0.204 122.982 122.820 -0.069 0.000 1.869 196 A HA -0.357 4.030 4.320 0.111 0.000 0.218 196 A C 2.106 179.778 177.584 0.148 0.000 1.203 196 A CA 3.058 55.110 52.037 0.026 0.000 0.638 196 A CB -0.675 18.316 19.000 -0.015 0.000 0.831 196 A HN -0.392 7.681 8.150 -0.128 0.000 0.450 197 F N -4.064 115.876 119.950 -0.017 0.000 2.216 197 F HA 0.010 4.558 4.527 0.036 0.000 0.300 197 F C 2.957 178.776 175.800 0.031 0.000 1.085 197 F CA 0.249 58.230 58.000 -0.032 0.000 1.326 197 F CB -1.098 37.796 39.000 -0.176 0.000 1.027 197 F HN 0.063 8.185 8.300 -0.297 0.000 0.497 198 S N 0.543 116.361 115.700 0.196 0.000 2.395 198 S HA -0.295 4.252 4.470 0.129 0.000 0.225 198 S C 1.726 176.398 174.600 0.120 0.000 1.027 198 S CA 3.440 61.718 58.200 0.130 0.000 0.965 198 S CB 0.049 63.299 63.200 0.083 0.000 0.812 198 S HN 0.036 8.326 8.310 0.146 0.107 0.482 199 V N 3.574 123.564 119.914 0.126 0.000 2.343 199 V HA -0.384 3.797 4.120 0.103 0.000 0.247 199 V C 1.853 178.032 176.094 0.142 0.000 1.051 199 V CA 4.091 66.465 62.300 0.124 0.000 1.036 199 V CB -0.736 31.163 31.823 0.128 0.000 0.654 199 V HN 0.072 8.336 8.190 0.123 0.000 0.451 200 A N -1.513 121.419 122.820 0.187 0.000 1.969 200 A HA -0.359 4.064 4.320 0.171 0.000 0.218 200 A C 1.895 179.563 177.584 0.140 0.000 1.169 200 A CA 3.104 55.254 52.037 0.189 0.000 0.635 200 A CB -0.764 18.397 19.000 0.269 0.000 0.810 200 A HN -0.036 8.246 8.150 0.219 0.000 0.445 201 E N -0.244 120.038 120.200 0.137 0.000 2.015 201 E HA -0.271 4.317 4.350 0.083 -0.188 0.191 201 E C 2.723 179.362 176.600 0.065 0.000 0.991 201 E CA 2.834 59.289 56.400 0.092 0.000 0.802 201 E CB 0.196 29.946 29.700 0.084 0.000 0.759 201 E HN -0.535 7.907 8.360 0.156 0.011 0.447 202 R N -2.132 118.408 120.500 0.067 0.000 2.092 202 R HA -0.186 4.178 4.340 0.040 0.000 0.231 202 R C 1.807 178.134 176.300 0.044 0.000 1.119 202 R CA 2.500 58.630 56.100 0.050 0.000 0.970 202 R CB -0.407 29.923 30.300 0.051 0.000 0.864 202 R HN -0.547 7.769 8.270 0.077 0.000 0.440 203 D N -4.709 115.724 120.400 0.055 0.000 2.479 203 D HA 0.127 4.787 4.640 0.033 0.000 0.216 203 D C 0.604 176.923 176.300 0.033 0.000 1.110 203 D CA 1.169 55.196 54.000 0.045 0.000 0.841 203 D CB 1.987 42.823 40.800 0.060 0.000 1.040 203 D HN -0.229 8.183 8.370 0.070 0.000 0.505 204 L N -3.220 118.030 121.223 0.044 0.000 2.858 204 L HA 0.361 4.695 4.340 -0.010 0.000 0.251 204 L C -0.037 176.842 176.870 0.015 0.000 1.149 204 L CA -0.613 54.241 54.840 0.023 0.000 0.955 204 L CB 0.933 43.028 42.059 0.060 0.000 1.289 204 L HN -0.741 7.526 8.230 0.062 0.000 0.542 205 G N -1.595 107.219 108.800 0.024 0.000 2.176 205 G HA2 -0.319 3.649 3.960 0.014 0.000 0.252 205 G HA3 -0.319 3.642 3.960 0.003 0.000 0.252 205 G C -0.510 174.399 174.900 0.015 0.000 1.024 205 G CA 0.323 45.431 45.100 0.013 0.000 0.755 205 G HN -0.550 7.759 8.290 0.032 0.000 0.507 206 V N 1.368 121.304 119.914 0.036 0.000 2.334 206 V HA 0.215 4.339 4.120 0.008 0.000 0.281 206 V C -0.250 175.884 176.094 0.068 0.000 1.016 206 V CA -1.525 60.794 62.300 0.032 0.000 0.832 206 V CB 0.211 32.042 31.823 0.013 0.000 0.999 206 V HN -0.468 7.754 8.190 0.054 0.000 0.439 207 T N 9.582 124.162 114.554 0.043 0.000 2.908 207 T HA -0.246 4.266 4.350 0.035 -0.141 0.301 207 T C 0.219 174.988 174.700 0.115 0.000 1.019 207 T CA 2.156 64.286 62.100 0.049 0.000 1.152 207 T CB 0.217 69.082 68.868 -0.005 0.000 0.966 207 T HN 0.453 8.702 8.240 0.015 0.000 0.540 208 R N 7.434 127.962 120.500 0.047 0.000 2.824 208 R HA -0.192 4.079 4.340 -0.114 0.000 0.240 208 R C -0.365 175.845 176.300 -0.151 0.000 1.548 208 R CA 0.654 56.711 56.100 -0.073 0.000 1.119 208 R CB -1.752 28.507 30.300 -0.068 0.000 1.189 208 R HN -0.037 8.513 8.270 0.029 -0.262 0.596 209 L N -0.027 121.108 121.223 -0.148 0.000 2.270 209 L HA -0.142 4.179 4.340 -0.031 0.000 0.210 209 L C -0.399 176.313 176.870 -0.263 0.000 1.104 209 L CA 0.762 55.546 54.840 -0.094 0.000 0.804 209 L CB 0.608 42.739 42.059 0.121 0.000 0.937 209 L HN -0.536 7.659 8.230 -0.058 0.000 0.450 210 L N -5.002 115.842 121.223 -0.633 0.000 2.342 210 L HA 0.184 4.333 4.340 -0.318 0.000 0.271 210 L C -1.525 175.058 176.870 -0.478 0.000 1.008 210 L CA -1.797 52.702 54.840 -0.568 0.000 0.818 210 L CB 3.168 44.752 42.059 -0.792 0.000 1.296 210 L HN -0.888 6.743 8.230 -0.998 0.000 0.427 211 D N 1.486 121.799 120.400 -0.145 0.000 2.177 211 D HA 0.449 5.119 4.640 0.051 0.000 0.247 211 D C -0.734 175.667 176.300 0.168 0.000 1.063 211 D CA -2.385 51.633 54.000 0.030 0.000 0.867 211 D CB 1.292 42.099 40.800 0.011 0.000 1.168 211 D HN -0.082 8.579 8.370 -0.115 -0.360 0.445 212 P HA -0.336 4.200 4.420 0.192 0.000 0.218 212 P C 0.557 177.916 177.300 0.098 0.000 1.152 212 P CA 2.588 65.780 63.100 0.154 0.000 0.857 212 P CB 0.092 31.817 31.700 0.042 0.000 0.787 213 E N -3.941 116.300 120.200 0.068 0.000 2.110 213 E HA -0.282 4.092 4.350 0.040 0.000 0.193 213 E C 1.244 177.873 176.600 0.048 0.000 0.988 213 E CA 2.355 58.782 56.400 0.045 0.000 0.804 213 E CB -1.543 28.172 29.700 0.026 0.000 0.745 213 E HN 0.550 8.936 8.360 0.064 0.012 0.458 214 D N -1.823 118.607 120.400 0.049 0.000 2.221 214 D HA -0.168 4.482 4.640 0.017 0.000 0.204 214 D C 0.794 177.136 176.300 0.071 0.000 0.982 214 D CA 2.694 56.715 54.000 0.035 0.000 0.857 214 D CB 0.027 40.830 40.800 0.005 0.000 0.934 214 D HN -0.294 8.011 8.370 0.049 0.094 0.475 215 V N -3.446 116.542 119.914 0.123 0.000 2.922 215 V HA 0.004 4.231 4.120 0.179 0.000 0.242 215 V C 0.516 176.698 176.094 0.148 0.000 1.094 215 V CA 1.783 64.194 62.300 0.185 0.000 1.106 215 V CB 0.774 32.793 31.823 0.327 0.000 0.799 215 V HN -0.803 7.418 8.190 0.130 0.046 0.474 216 D N 1.715 122.178 120.400 0.105 0.000 2.551 216 D HA -0.018 4.667 4.640 0.075 0.000 0.223 216 D C -0.713 175.617 176.300 0.049 0.000 1.144 216 D CA -0.069 53.973 54.000 0.069 0.000 1.025 216 D CB -1.395 39.432 40.800 0.046 0.000 1.085 216 D HN -0.641 7.788 8.370 0.098 0.000 0.506 217 V N -1.094 118.852 119.914 0.054 0.000 3.159 217 V HA 0.560 4.698 4.120 0.029 0.000 0.308 217 V C -2.349 173.768 176.094 0.038 0.000 1.190 217 V CA -3.860 58.463 62.300 0.038 0.000 1.037 217 V CB 1.030 32.873 31.823 0.034 0.000 1.060 217 V HN -0.685 7.503 8.190 0.068 0.042 0.437 218 P HA -0.147 4.286 4.420 0.022 0.000 0.216 218 P C -0.212 177.107 177.300 0.032 0.000 1.153 218 P CA 2.191 65.305 63.100 0.024 0.000 0.858 218 P CB 0.453 32.162 31.700 0.015 0.000 0.789 219 Q N -3.987 115.833 119.800 0.032 0.000 2.674 219 Q HA 0.248 4.617 4.340 0.048 0.000 0.249 219 Q C -2.628 173.398 176.000 0.044 0.000 1.011 219 Q CA -2.186 53.641 55.803 0.039 0.000 0.734 219 Q CB 0.659 29.411 28.738 0.023 0.000 1.201 219 Q HN -0.320 7.966 8.270 0.027 0.000 0.498 220 P HA -0.140 4.323 4.420 0.072 0.000 0.262 220 P C -0.907 176.422 177.300 0.049 0.000 1.182 220 P CA -0.048 63.102 63.100 0.084 0.000 0.761 220 P CB 0.540 32.334 31.700 0.157 0.000 0.795 221 D N 3.899 124.301 120.400 0.005 0.000 2.502 221 D HA -0.243 4.363 4.640 -0.057 0.000 0.249 221 D C 1.337 177.606 176.300 -0.051 0.000 1.188 221 D CA 1.189 55.160 54.000 -0.049 0.000 0.890 221 D CB 0.898 41.637 40.800 -0.101 0.000 1.140 221 D HN 0.183 8.553 8.370 -0.001 0.000 0.505 222 E N 8.298 128.464 120.200 -0.056 0.000 2.077 222 E HA -0.407 4.170 4.350 0.044 -0.200 0.193 222 E C 1.485 178.011 176.600 -0.125 0.000 0.989 222 E CA 3.648 60.032 56.400 -0.028 0.000 0.800 222 E CB 0.307 30.007 29.700 -0.001 0.000 0.746 222 E HN 0.555 8.874 8.360 -0.067 0.000 0.452 223 K N -2.285 117.955 120.400 -0.267 0.000 2.097 223 K HA -0.236 3.839 4.320 -0.408 0.000 0.205 223 K C 2.427 178.967 176.600 -0.101 0.000 1.050 223 K CA 2.972 59.025 56.287 -0.391 0.000 0.938 223 K CB -0.144 31.880 32.500 -0.793 0.000 0.718 223 K HN 0.145 8.218 8.250 -0.294 0.000 0.442 224 S N 0.629 116.258 115.700 -0.118 0.000 2.383 224 S HA -0.252 4.248 4.470 0.051 0.000 0.227 224 S C 1.808 176.416 174.600 0.013 0.000 1.026 224 S CA 3.197 61.379 58.200 -0.030 0.000 0.981 224 S CB -0.191 62.955 63.200 -0.091 0.000 0.818 224 S HN -0.607 7.812 8.310 -0.167 -0.210 0.472 225 I N 2.443 122.997 120.570 -0.026 0.000 2.179 225 I HA -0.373 3.836 4.170 0.066 0.000 0.242 225 I C 1.678 177.694 176.117 -0.167 0.000 1.088 225 I CA 2.834 64.108 61.300 -0.043 0.000 1.357 225 I CB -0.991 36.947 38.000 -0.105 0.000 1.051 225 I HN -0.626 7.558 8.210 -0.044 0.000 0.409 226 I N -0.487 119.928 120.570 -0.259 0.000 2.208 226 I HA -0.522 3.220 4.170 -0.713 0.000 0.245 226 I C 2.398 178.422 176.117 -0.155 0.000 1.097 226 I CA 1.988 63.053 61.300 -0.391 0.000 1.363 226 I CB -2.102 35.744 38.000 -0.257 0.000 1.051 226 I HN 0.277 8.362 8.210 -0.208 0.000 0.413 227 T N 2.577 117.147 114.554 0.027 0.000 2.684 227 T HA -0.440 3.892 4.350 -0.029 0.000 0.267 227 T C 2.064 176.798 174.700 0.057 0.000 1.036 227 T CA 5.025 67.147 62.100 0.036 0.000 1.148 227 T CB -0.236 68.690 68.868 0.096 0.000 0.863 227 T HN -0.171 8.119 8.240 0.083 0.000 0.436 228 Y N 2.667 122.947 120.300 -0.034 0.000 2.163 228 Y HA -0.328 4.217 4.550 -0.008 0.000 0.288 228 Y C 1.603 177.520 175.900 0.029 0.000 1.136 228 Y CA 3.237 61.322 58.100 -0.025 0.000 1.147 228 Y CB 0.029 38.432 38.460 -0.094 0.000 0.987 228 Y HN -0.521 7.880 8.280 0.201 0.000 0.509 229 V N -0.990 118.904 119.914 -0.034 0.000 2.515 229 V HA -0.484 3.638 4.120 0.004 0.000 0.250 229 V C 1.227 177.277 176.094 -0.073 0.000 1.058 229 V CA 2.538 64.816 62.300 -0.037 0.000 1.064 229 V CB -1.211 30.581 31.823 -0.053 0.000 0.675 229 V HN -0.059 8.125 8.190 -0.009 0.000 0.461 230 S N -0.473 115.146 115.700 -0.134 0.000 2.370 230 S HA -0.380 3.986 4.470 -0.172 0.000 0.226 230 S C 1.785 176.352 174.600 -0.056 0.000 1.033 230 S CA 3.751 61.876 58.200 -0.124 0.000 1.011 230 S CB -0.618 62.509 63.200 -0.122 0.000 0.852 230 S HN -0.163 8.058 8.310 -0.148 0.000 0.457 231 S N 1.663 117.314 115.700 -0.082 0.000 2.382 231 S HA -0.234 4.234 4.470 -0.003 0.000 0.228 231 S C 2.239 176.771 174.600 -0.113 0.000 1.027 231 S CA 2.792 60.943 58.200 -0.082 0.000 0.991 231 S CB -0.254 62.890 63.200 -0.093 0.000 0.823 231 S HN -0.770 7.390 8.310 -0.106 0.086 0.469 232 L N 1.939 123.070 121.223 -0.153 0.000 1.970 232 L HA -0.429 3.930 4.340 0.031 0.000 0.212 232 L C 1.850 178.750 176.870 0.051 0.000 1.071 232 L CA 3.070 57.929 54.840 0.032 0.000 0.751 232 L CB -0.510 41.689 42.059 0.233 0.000 0.889 232 L HN -0.763 7.315 8.230 -0.253 0.000 0.432 233 Y N -0.869 119.234 120.300 -0.329 0.000 2.139 233 Y HA -0.515 3.374 4.550 -1.102 0.000 0.282 233 Y C 2.327 178.034 175.900 -0.322 0.000 1.179 233 Y CA 3.088 60.722 58.100 -0.778 0.000 1.161 233 Y CB -0.153 37.670 38.460 -1.061 0.000 0.970 233 Y HN -0.415 7.791 8.280 -0.123 0.000 0.511 234 D N -0.465 119.855 120.400 -0.134 0.000 2.178 234 D HA -0.264 4.248 4.640 -0.213 0.000 0.201 234 D C 0.826 177.039 176.300 -0.146 0.000 0.980 234 D CA 2.769 56.687 54.000 -0.137 0.000 0.842 234 D CB -0.628 40.172 40.800 -0.001 0.000 0.948 234 D HN -0.278 8.073 8.370 -0.022 0.006 0.472 235 A N -2.962 119.813 122.820 -0.075 0.000 2.123 235 A HA -0.099 4.193 4.320 -0.046 0.000 0.214 235 A C -0.552 177.036 177.584 0.006 0.000 1.152 235 A CA 1.353 53.373 52.037 -0.028 0.000 0.728 235 A CB 1.111 20.119 19.000 0.013 0.000 0.814 235 A HN -0.388 7.627 8.150 -0.050 0.105 0.464 236 M N -4.710 114.930 119.600 0.067 0.000 3.303 236 M HA 0.379 4.986 4.480 0.211 0.000 0.371 236 M C -3.073 173.407 176.300 0.300 0.000 1.569 236 M CA -1.765 53.695 55.300 0.267 0.000 0.694 236 M CB 0.497 33.471 32.600 0.623 0.000 2.534 236 M HN -0.787 7.504 8.290 0.000 0.000 0.447 237 P HA 0.000 4.485 4.420 0.109 0.000 0.216 237 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 237 P CB 0.000 31.345 31.700 -0.592 0.000 0.726