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 3n9r_1_j DATA FIRST_RESID 1 DATA SEQUENCE MLVKGNEILL KAHKEGYGVG AFNFVNFEML NAIFEAGNEE NSPLFIQASE DATA SEQUENCE GAIKYMGIDM AVGMVKIMCE RYPHIPVALH LDHGTTFESC EKAVKAGFTS DATA SEQUENCE VMIDASHHAF EENLELTSKV VKMAHNAGVS VEAELGRLMG IXXXXXXXXX DATA SEQUENCE XAVLVNPKEA EQFVKESQVD YLAPAIGTSH GAFKFKGEPK LDFERLQEVK DATA SEQUENCE RLTNIPLVLH GASAIPDNVR KSYLDAGGDL KGSKGVPFEF LQESVKGGIN DATA SEQUENCE KVNTDTDLRI AFIAEVRKVA NEDKSQFDLR KFFSPAQLAL KNVVKERMKL DATA SEQUENCE LGSANKI 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 1 M HA 0.000 4.506 4.480 0.043 0.000 0.227 1 M C 0.000 176.306 176.300 0.009 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 L N 2.116 123.341 121.223 0.004 0.000 2.477 2 L HA 0.308 4.834 4.340 -0.036 -0.207 0.272 2 L C 0.188 177.045 176.870 -0.022 0.000 1.157 2 L CA 0.287 55.115 54.840 -0.020 0.000 0.889 2 L CB -0.474 41.573 42.059 -0.020 0.000 1.158 2 L HN 0.001 8.237 8.230 0.009 0.000 0.473 3 V N -0.110 119.777 119.914 -0.045 0.000 3.102 3 V HA 0.553 4.669 4.120 -0.008 0.000 0.312 3 V C -1.711 174.364 176.094 -0.031 0.000 1.135 3 V CA -3.208 59.077 62.300 -0.026 0.000 1.022 3 V CB 3.884 35.696 31.823 -0.017 0.000 1.056 3 V HN 0.633 8.778 8.190 -0.075 0.000 0.436 4 K N -0.222 120.185 120.400 0.012 0.000 2.469 4 K HA -0.107 4.396 4.320 0.059 -0.147 0.274 4 K C 1.650 178.290 176.600 0.068 0.000 0.983 4 K CA 0.371 56.690 56.287 0.053 0.000 0.974 4 K CB -0.452 32.091 32.500 0.071 0.000 0.913 4 K HN 0.319 8.581 8.250 0.020 0.000 0.493 5 G N 2.349 111.243 108.800 0.156 0.000 2.450 5 G HA2 -0.370 3.535 3.960 -0.092 0.000 0.220 5 G HA3 -0.370 3.930 3.960 0.567 0.000 0.220 5 G C 0.789 175.930 174.900 0.401 0.000 1.130 5 G CA 2.017 47.281 45.100 0.273 0.000 0.760 5 G HN 0.371 8.784 8.290 0.205 0.000 0.557 6 N N 0.373 119.321 118.700 0.413 0.000 2.289 6 N HA -0.238 4.775 4.740 0.455 0.000 0.184 6 N C 1.846 177.460 175.510 0.174 0.000 1.016 6 N CA 2.116 55.374 53.050 0.347 0.000 0.872 6 N CB -0.129 38.507 38.487 0.248 0.000 0.973 6 N HN -0.305 8.279 8.380 0.367 0.016 0.433 7 E N -0.207 120.069 120.200 0.126 0.000 2.077 7 E HA -0.297 4.097 4.350 0.073 0.000 0.193 7 E C 2.474 179.124 176.600 0.082 0.000 0.989 7 E CA 3.088 59.537 56.400 0.081 0.000 0.800 7 E CB -0.063 29.670 29.700 0.054 0.000 0.746 7 E HN -0.599 7.816 8.360 0.123 0.019 0.452 8 I N -0.991 119.639 120.570 0.101 0.000 2.286 8 I HA -0.424 3.807 4.170 0.102 0.000 0.245 8 I C 1.691 177.854 176.117 0.078 0.000 1.104 8 I CA 3.617 64.989 61.300 0.120 0.000 1.397 8 I CB 0.126 38.231 38.000 0.177 0.000 1.072 8 I HN -0.845 7.429 8.210 0.107 0.000 0.417 9 L N -1.872 119.384 121.223 0.054 0.000 2.240 9 L HA -0.219 4.033 4.340 -0.147 0.000 0.211 9 L C 2.385 179.228 176.870 -0.044 0.000 1.106 9 L CA 2.214 56.996 54.840 -0.097 0.000 0.793 9 L CB -0.447 41.423 42.059 -0.316 0.000 0.927 9 L HN -0.510 7.784 8.230 0.107 0.000 0.446 10 L N -1.439 119.802 121.223 0.030 0.000 2.093 10 L HA -0.432 3.956 4.340 0.080 0.000 0.208 10 L C 1.810 178.710 176.870 0.049 0.000 1.085 10 L CA 3.454 58.332 54.840 0.064 0.000 0.755 10 L CB -0.570 41.533 42.059 0.073 0.000 0.904 10 L HN 0.104 8.368 8.230 0.056 0.000 0.435 11 K N -0.688 119.717 120.400 0.009 0.000 2.057 11 K HA -0.386 3.942 4.320 0.013 0.000 0.206 11 K C 1.776 178.260 176.600 -0.194 0.000 1.050 11 K CA 3.262 59.542 56.287 -0.012 0.000 0.935 11 K CB -0.197 32.342 32.500 0.064 0.000 0.715 11 K HN -0.798 7.465 8.250 0.021 0.000 0.439 12 A N -2.165 120.413 122.820 -0.404 0.000 1.940 12 A HA -0.317 2.797 4.320 -2.010 0.000 0.219 12 A C 1.680 178.960 177.584 -0.507 0.000 1.176 12 A CA 3.112 54.559 52.037 -0.982 0.000 0.631 12 A CB -0.691 17.861 19.000 -0.747 0.000 0.814 12 A HN -0.459 7.531 8.150 -0.267 0.000 0.446 13 H N 0.028 118.917 119.070 -0.302 0.000 2.357 13 H HA -0.244 4.290 4.556 -0.175 -0.083 0.301 13 H C 1.977 177.230 175.328 -0.125 0.000 1.082 13 H CA 3.090 59.033 56.048 -0.174 0.000 1.342 13 H CB 0.093 29.795 29.762 -0.100 0.000 1.389 13 H HN -0.279 7.957 8.280 -0.059 0.009 0.511 14 K N -1.505 118.788 120.400 -0.178 0.000 2.057 14 K HA -0.192 3.979 4.320 -0.249 0.000 0.207 14 K C 1.608 178.117 176.600 -0.151 0.000 1.049 14 K CA 2.204 58.387 56.287 -0.172 0.000 0.931 14 K CB 0.274 32.751 32.500 -0.038 0.000 0.714 14 K HN -0.410 7.802 8.250 -0.064 0.000 0.440 15 E N -4.531 115.598 120.200 -0.118 0.000 2.481 15 E HA 0.082 4.431 4.350 -0.002 0.000 0.198 15 E C -0.547 176.056 176.600 0.006 0.000 1.027 15 E CA -0.488 55.909 56.400 -0.004 0.000 0.900 15 E CB 0.482 30.282 29.700 0.166 0.000 0.993 15 E HN -0.576 7.684 8.360 -0.166 0.000 0.482 16 G N -0.382 108.344 108.800 -0.123 0.000 2.298 16 G HA2 -0.307 3.578 3.960 -0.125 0.000 0.287 16 G HA3 -0.307 3.625 3.960 -0.047 0.000 0.287 16 G C -0.890 174.027 174.900 0.028 0.000 1.075 16 G CA 0.772 45.825 45.100 -0.078 0.000 0.960 16 G HN -0.346 7.772 8.290 -0.209 0.046 0.502 17 Y N -4.685 115.596 120.300 -0.031 0.000 2.693 17 Y HA 0.416 4.948 4.550 -0.029 0.000 0.331 17 Y C -1.986 173.894 175.900 -0.034 0.000 1.092 17 Y CA -2.965 55.117 58.100 -0.029 0.000 1.131 17 Y CB 1.411 39.856 38.460 -0.025 0.000 1.318 17 Y HN -0.783 7.244 8.280 -0.422 0.000 0.510 18 G N -2.085 106.837 108.800 0.203 0.000 2.416 18 G HA2 0.459 4.524 3.960 -0.037 0.000 0.329 18 G HA3 0.459 4.439 3.960 0.033 0.000 0.329 18 G C -2.633 172.349 174.900 0.137 0.000 1.173 18 G CA -1.479 43.660 45.100 0.064 0.000 0.929 18 G HN 0.038 8.488 8.290 0.267 0.000 0.475 19 V N 1.752 121.666 119.914 -0.000 0.000 2.378 19 V HA 0.244 4.422 4.120 0.097 0.000 0.288 19 V C -0.313 175.685 176.094 -0.160 0.000 1.016 19 V CA -1.726 60.579 62.300 0.009 0.000 0.840 19 V CB 2.682 34.524 31.823 0.033 0.000 0.994 19 V HN -0.052 7.972 8.190 -0.101 0.105 0.431 20 G N 5.849 114.549 108.800 -0.167 0.000 2.380 20 G HA2 -0.048 3.714 3.960 -0.586 0.000 0.242 20 G HA3 -0.048 3.429 3.960 -0.805 0.000 0.242 20 G C -1.968 172.458 174.900 -0.791 0.000 1.298 20 G CA -0.074 44.654 45.100 -0.620 0.000 0.878 20 G HN 0.480 8.755 8.290 -0.025 0.000 0.542 21 A N 4.563 126.865 122.820 -0.863 0.000 2.285 21 A HA 0.717 5.084 4.320 -0.227 -0.184 0.310 21 A C -2.171 175.116 177.584 -0.495 0.000 1.266 21 A CA -1.816 49.933 52.037 -0.479 0.000 0.832 21 A CB 2.024 20.798 19.000 -0.376 0.000 1.163 21 A HN 0.019 7.576 8.150 -0.823 0.099 0.499 22 F N 2.975 122.966 119.950 0.069 0.000 2.444 22 F HA 0.679 5.445 4.527 0.052 -0.208 0.342 22 F C -0.058 175.825 175.800 0.139 0.000 1.121 22 F CA -2.057 55.983 58.000 0.067 0.000 0.997 22 F CB 2.284 41.301 39.000 0.027 0.000 1.130 22 F HN 0.183 8.562 8.300 0.132 0.000 0.454 23 N N 3.386 122.259 118.700 0.287 0.000 2.525 23 N HA 0.547 5.720 4.740 0.321 -0.241 0.271 23 N C -0.413 175.289 175.510 0.319 0.000 1.194 23 N CA 0.695 53.904 53.050 0.266 0.000 0.964 23 N CB 1.522 40.087 38.487 0.130 0.000 1.126 23 N HN -0.225 8.298 8.380 0.239 0.000 0.452 24 F N -2.462 117.530 119.950 0.070 0.000 2.603 24 F HA 0.494 5.006 4.527 -0.026 0.000 0.317 24 F C -1.566 174.239 175.800 0.008 0.000 1.066 24 F CA -2.049 55.962 58.000 0.019 0.000 0.941 24 F CB 3.247 42.273 39.000 0.044 0.000 1.291 24 F HN -0.309 8.225 8.300 0.390 0.000 0.472 25 V N -6.992 112.845 119.914 -0.130 0.000 3.411 25 V HA 0.205 4.115 4.120 -0.351 0.000 0.287 25 V C -2.089 174.017 176.094 0.018 0.000 1.543 25 V CA -0.483 61.684 62.300 -0.222 0.000 1.028 25 V CB 1.546 33.180 31.823 -0.315 0.000 0.840 25 V HN -0.259 7.925 8.190 -0.010 0.000 0.435 26 N N -3.239 115.548 118.700 0.146 0.000 3.378 26 N HA 0.040 4.950 4.740 0.283 0.000 0.294 26 N C -1.137 174.544 175.510 0.284 0.000 1.544 26 N CA -0.975 52.215 53.050 0.235 0.000 0.872 26 N CB 0.713 39.294 38.487 0.157 0.000 1.670 26 N HN -0.915 7.571 8.380 0.176 0.000 0.551 27 F N 0.392 120.415 119.950 0.122 0.000 2.102 27 F HA -0.160 4.428 4.527 0.102 0.000 0.298 27 F C 1.157 177.005 175.800 0.081 0.000 1.105 27 F CA 3.747 61.803 58.000 0.094 0.000 1.239 27 F CB 0.266 39.307 39.000 0.068 0.000 0.991 27 F HN 0.345 8.868 8.300 0.372 0.000 0.474 28 E N -1.147 118.951 120.200 -0.170 0.000 2.058 28 E HA -0.385 3.714 4.350 -0.419 0.000 0.194 28 E C 2.651 179.136 176.600 -0.192 0.000 0.997 28 E CA 4.002 60.269 56.400 -0.223 0.000 0.801 28 E CB -0.626 29.129 29.700 0.092 0.000 0.746 28 E HN 0.188 8.642 8.360 0.054 -0.062 0.450 29 M N -1.194 118.306 119.600 -0.165 0.000 2.086 29 M HA -0.386 4.040 4.480 -0.090 0.000 0.261 29 M C 2.305 178.571 176.300 -0.056 0.000 1.067 29 M CA 4.082 59.323 55.300 -0.098 0.000 1.116 29 M CB 0.052 32.612 32.600 -0.066 0.000 1.348 29 M HN -0.636 7.804 8.290 -0.179 -0.258 0.407 30 L N -0.901 120.286 121.223 -0.060 0.000 2.017 30 L HA -0.395 3.881 4.340 -0.107 0.000 0.208 30 L C 1.361 178.182 176.870 -0.082 0.000 1.073 30 L CA 3.458 58.226 54.840 -0.120 0.000 0.745 30 L CB -0.415 41.502 42.059 -0.237 0.000 0.894 30 L HN -0.531 7.689 8.230 -0.016 0.000 0.432 31 N N -1.164 117.346 118.700 -0.317 0.000 2.120 31 N HA -0.394 4.257 4.740 -0.148 0.000 0.188 31 N C 1.734 177.191 175.510 -0.088 0.000 1.024 31 N CA 3.122 56.004 53.050 -0.280 0.000 0.852 31 N CB -0.163 37.907 38.487 -0.695 0.000 1.003 31 N HN -0.077 7.990 8.380 -0.522 0.000 0.424 32 A N -0.688 122.068 122.820 -0.106 0.000 1.930 32 A HA -0.249 4.045 4.320 -0.043 0.000 0.217 32 A C 2.152 179.679 177.584 -0.094 0.000 1.175 32 A CA 2.954 54.956 52.037 -0.058 0.000 0.627 32 A CB -0.437 18.555 19.000 -0.014 0.000 0.815 32 A HN -0.589 7.476 8.150 -0.142 0.000 0.443 33 I N -1.319 119.191 120.570 -0.100 0.000 2.202 33 I HA -0.552 3.424 4.170 -0.322 0.000 0.242 33 I C 1.676 177.666 176.117 -0.211 0.000 1.091 33 I CA 4.377 65.552 61.300 -0.209 0.000 1.368 33 I CB -0.044 37.853 38.000 -0.171 0.000 1.058 33 I HN -0.564 7.606 8.210 -0.068 0.000 0.410 34 F N -0.381 119.440 119.950 -0.215 0.000 2.134 34 F HA -0.488 3.882 4.527 -0.262 0.000 0.299 34 F C 2.198 177.745 175.800 -0.421 0.000 1.097 34 F CA 4.772 62.611 58.000 -0.268 0.000 1.264 34 F CB -0.196 38.719 39.000 -0.142 0.000 1.001 34 F HN -0.392 8.055 8.300 0.245 0.000 0.479 35 E N -1.448 118.684 120.200 -0.113 0.000 2.110 35 E HA -0.500 3.666 4.350 -0.306 0.000 0.193 35 E C 1.898 178.386 176.600 -0.187 0.000 0.988 35 E CA 2.995 59.290 56.400 -0.175 0.000 0.804 35 E CB -0.319 29.362 29.700 -0.033 0.000 0.745 35 E HN -0.243 8.108 8.360 -0.015 0.000 0.458 36 A N -0.553 122.157 122.820 -0.182 0.000 1.877 36 A HA -0.227 4.005 4.320 -0.147 0.000 0.216 36 A C 1.884 179.350 177.584 -0.197 0.000 1.186 36 A CA 3.014 54.939 52.037 -0.186 0.000 0.620 36 A CB -0.719 18.135 19.000 -0.243 0.000 0.822 36 A HN -0.460 7.583 8.150 -0.178 0.000 0.443 37 G N -2.097 106.552 108.800 -0.251 0.000 2.442 37 G HA2 -0.442 3.412 3.960 -0.176 0.000 0.219 37 G HA3 -0.442 3.347 3.960 -0.284 0.000 0.219 37 G C 1.313 176.095 174.900 -0.198 0.000 1.141 37 G CA 1.902 46.864 45.100 -0.231 0.000 0.763 37 G HN -0.189 7.927 8.290 -0.290 0.000 0.554 38 N N 1.648 120.183 118.700 -0.275 0.000 2.188 38 N HA -0.214 4.479 4.740 -0.079 0.000 0.184 38 N C 2.795 178.270 175.510 -0.060 0.000 1.018 38 N CA 2.558 55.497 53.050 -0.185 0.000 0.858 38 N CB 0.204 38.440 38.487 -0.418 0.000 0.989 38 N HN -0.151 8.005 8.380 -0.359 0.008 0.426 39 E N -0.449 119.697 120.200 -0.089 0.000 2.112 39 E HA -0.146 4.188 4.350 -0.027 0.000 0.190 39 E C 1.574 178.145 176.600 -0.049 0.000 0.979 39 E CA 2.339 58.709 56.400 -0.050 0.000 0.814 39 E CB 0.294 29.961 29.700 -0.054 0.000 0.762 39 E HN -0.431 7.853 8.360 -0.125 0.000 0.460 40 E N -4.239 115.920 120.200 -0.067 0.000 2.489 40 E HA 0.129 4.444 4.350 -0.057 0.000 0.193 40 E C -1.146 175.421 176.600 -0.055 0.000 1.057 40 E CA -1.270 55.092 56.400 -0.063 0.000 0.866 40 E CB -0.357 29.297 29.700 -0.075 0.000 0.916 40 E HN -0.481 7.827 8.360 -0.086 0.000 0.500 41 N N -1.537 117.141 118.700 -0.036 0.000 2.705 41 N HA -0.444 4.313 4.740 0.029 0.000 0.255 41 N C -2.069 173.419 175.510 -0.035 0.000 1.008 41 N CA 1.484 54.528 53.050 -0.009 0.000 0.742 41 N CB -1.764 36.718 38.487 -0.008 0.000 0.906 41 N HN -0.475 7.717 8.380 -0.031 0.169 0.541 42 S N -1.324 114.344 115.700 -0.053 0.000 2.513 42 S HA 0.748 5.307 4.470 -0.065 -0.128 0.299 42 S C -2.451 172.120 174.600 -0.049 0.000 1.087 42 S CA -3.390 54.775 58.200 -0.057 0.000 1.012 42 S CB 2.585 65.753 63.200 -0.053 0.000 1.044 42 S HN -0.519 7.752 8.310 -0.065 0.000 0.485 43 P HA 0.028 4.522 4.420 -0.042 -0.100 0.272 43 P C -2.014 175.289 177.300 0.006 0.000 1.240 43 P CA -0.155 62.944 63.100 -0.001 0.000 0.791 43 P CB 1.155 32.899 31.700 0.073 0.000 0.978 44 L N -2.262 118.935 121.223 -0.043 0.000 2.408 44 L HA 0.247 4.631 4.340 0.073 0.000 0.268 44 L C -1.567 175.307 176.870 0.005 0.000 0.986 44 L CA -0.867 53.953 54.840 -0.033 0.000 0.820 44 L CB 4.651 46.542 42.059 -0.280 0.000 1.303 44 L HN -0.125 8.057 8.230 -0.079 0.000 0.411 45 F N 3.125 123.031 119.950 -0.073 0.000 2.404 45 F HA 0.413 5.054 4.527 -0.055 -0.147 0.354 45 F C -1.274 174.522 175.800 -0.006 0.000 1.122 45 F CA -0.654 57.302 58.000 -0.074 0.000 1.080 45 F CB 2.752 41.653 39.000 -0.165 0.000 1.131 45 F HN -0.244 8.217 8.300 0.268 0.000 0.471 46 I N 5.413 126.042 120.570 0.098 0.000 2.354 46 I HA 0.537 4.985 4.170 0.215 -0.150 0.292 46 I C -2.461 173.852 176.117 0.325 0.000 0.989 46 I CA -2.692 58.707 61.300 0.164 0.000 1.188 46 I CB 3.262 41.260 38.000 -0.004 0.000 1.342 46 I HN 0.619 8.818 8.210 -0.017 0.000 0.457 47 Q N 7.889 127.945 119.800 0.427 0.000 2.342 47 Q HA 0.874 5.730 4.340 0.511 -0.209 0.267 47 Q C -1.296 174.965 176.000 0.434 0.000 1.038 47 Q CA -2.448 53.629 55.803 0.457 0.000 0.832 47 Q CB 3.781 32.739 28.738 0.368 0.000 1.323 47 Q HN 0.115 8.639 8.270 0.422 0.000 0.448 48 A N 3.147 126.190 122.820 0.372 0.000 2.343 48 A HA 0.683 4.990 4.320 -0.021 0.000 0.308 48 A C -1.294 176.363 177.584 0.120 0.000 1.092 48 A CA -1.444 50.678 52.037 0.142 0.000 0.751 48 A CB 2.830 21.922 19.000 0.153 0.000 1.203 48 A HN 0.357 8.778 8.150 0.451 0.000 0.452 49 S N 4.383 120.106 115.700 0.038 0.000 2.624 49 S HA 0.307 5.009 4.470 0.070 -0.190 0.263 49 S C 1.220 175.819 174.600 -0.002 0.000 1.287 49 S CA -1.383 56.838 58.200 0.036 0.000 0.990 49 S CB 1.697 64.906 63.200 0.015 0.000 0.950 49 S HN 0.248 8.555 8.310 -0.006 0.000 0.561 50 E N 2.005 122.200 120.200 -0.008 0.000 2.118 50 E HA -0.407 3.920 4.350 -0.039 0.000 0.195 50 E C 2.371 178.961 176.600 -0.016 0.000 0.992 50 E CA 3.436 59.821 56.400 -0.025 0.000 0.804 50 E CB -0.284 29.401 29.700 -0.024 0.000 0.741 50 E HN 0.501 8.865 8.360 0.008 0.000 0.458 51 G N -1.587 107.200 108.800 -0.022 0.000 2.418 51 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.217 51 G HA3 -0.247 3.691 3.960 -0.037 0.000 0.217 51 G C 0.860 175.755 174.900 -0.008 0.000 1.158 51 G CA 1.289 46.377 45.100 -0.020 0.000 0.771 51 G HN 0.054 8.323 8.290 -0.026 0.005 0.545 52 A N 1.616 124.410 122.820 -0.044 0.000 1.930 52 A HA -0.282 4.003 4.320 -0.059 0.000 0.217 52 A C 1.729 179.312 177.584 -0.002 0.000 1.175 52 A CA 2.644 54.641 52.037 -0.066 0.000 0.627 52 A CB -0.361 18.528 19.000 -0.185 0.000 0.815 52 A HN -0.498 7.619 8.150 -0.054 0.000 0.443 53 I N -1.433 119.137 120.570 0.001 0.000 2.315 53 I HA -0.556 3.640 4.170 0.043 0.000 0.248 53 I C 1.605 177.747 176.117 0.041 0.000 1.117 53 I CA 3.960 65.280 61.300 0.033 0.000 1.404 53 I CB -0.234 37.784 38.000 0.030 0.000 1.071 53 I HN -0.284 7.921 8.210 -0.009 0.000 0.419 54 K N -0.023 120.402 120.400 0.041 0.000 2.097 54 K HA -0.349 3.985 4.320 0.024 0.000 0.205 54 K C 1.672 178.313 176.600 0.068 0.000 1.050 54 K CA 2.990 59.303 56.287 0.042 0.000 0.938 54 K CB -0.253 32.269 32.500 0.037 0.000 0.718 54 K HN -0.493 7.777 8.250 0.033 0.000 0.442 55 Y N -1.795 118.481 120.300 -0.039 0.000 2.163 55 Y HA -0.269 4.264 4.550 -0.028 0.000 0.288 55 Y C 1.202 177.085 175.900 -0.028 0.000 1.136 55 Y CA 2.634 60.711 58.100 -0.038 0.000 1.147 55 Y CB 0.664 39.090 38.460 -0.057 0.000 0.987 55 Y HN -0.571 7.750 8.280 0.205 0.083 0.509 56 M N -3.972 115.648 119.600 0.032 0.000 2.334 56 M HA -0.040 4.362 4.480 -0.129 0.000 0.266 56 M C 0.214 176.494 176.300 -0.032 0.000 1.082 56 M CA 1.730 57.010 55.300 -0.033 0.000 1.141 56 M CB 1.375 34.009 32.600 0.057 0.000 1.380 56 M HN -0.432 7.932 8.290 0.124 0.000 0.440 57 G N -1.748 107.051 108.800 -0.001 0.000 3.019 57 G HA2 -0.218 3.765 3.960 0.015 0.000 0.686 57 G HA3 -0.218 3.834 3.960 0.006 -0.089 0.686 57 G C -1.058 173.878 174.900 0.060 0.000 1.056 57 G CA -0.623 44.487 45.100 0.017 0.000 0.774 57 G HN -0.362 7.933 8.290 0.008 0.000 0.583 58 I N 1.975 122.590 120.570 0.075 0.000 2.361 58 I HA -0.361 3.917 4.170 0.181 0.000 0.251 58 I C 0.116 176.317 176.117 0.140 0.000 1.133 58 I CA 2.387 63.771 61.300 0.139 0.000 1.413 58 I CB -0.034 38.044 38.000 0.130 0.000 1.073 58 I HN 0.391 8.635 8.210 0.057 0.000 0.424 59 D N -2.022 118.431 120.400 0.087 0.000 2.144 59 D HA -0.291 4.395 4.640 0.076 0.000 0.199 59 D C 1.931 178.272 176.300 0.069 0.000 0.984 59 D CA 3.035 57.077 54.000 0.070 0.000 0.834 59 D CB -1.233 39.592 40.800 0.042 0.000 0.955 59 D HN 0.375 8.771 8.370 0.068 0.015 0.465 60 M N 0.515 120.158 119.600 0.071 0.000 2.193 60 M HA -0.156 4.362 4.480 0.063 0.000 0.265 60 M C 1.388 177.772 176.300 0.139 0.000 1.071 60 M CA 1.833 57.180 55.300 0.079 0.000 1.140 60 M CB -0.340 32.295 32.600 0.058 0.000 1.369 60 M HN -0.760 7.568 8.290 0.064 0.000 0.423 61 A N 0.276 123.198 122.820 0.169 0.000 1.865 61 A HA -0.237 4.322 4.320 0.398 0.000 0.217 61 A C 2.257 179.981 177.584 0.234 0.000 1.191 61 A CA 3.060 55.264 52.037 0.278 0.000 0.623 61 A CB -0.742 18.397 19.000 0.231 0.000 0.826 61 A HN -0.226 8.010 8.150 0.142 0.000 0.444 62 V N -2.961 117.017 119.914 0.107 0.000 2.453 62 V HA -0.497 3.563 4.120 -0.100 0.000 0.247 62 V C 1.914 178.012 176.094 0.006 0.000 1.048 62 V CA 3.712 66.004 62.300 -0.012 0.000 1.049 62 V CB -0.264 31.553 31.823 -0.010 0.000 0.672 62 V HN -0.422 7.846 8.190 0.130 0.000 0.457 63 G N -0.751 108.071 108.800 0.037 0.000 2.446 63 G HA2 -0.365 3.597 3.960 0.003 0.000 0.217 63 G HA3 -0.365 3.672 3.960 0.023 -0.063 0.217 63 G C 1.119 176.021 174.900 0.003 0.000 1.168 63 G CA 2.201 47.311 45.100 0.016 0.000 0.771 63 G HN -0.382 7.943 8.290 0.058 0.000 0.551 64 M N 1.284 120.907 119.600 0.038 0.000 2.175 64 M HA -0.384 4.100 4.480 0.006 0.000 0.264 64 M C 2.101 178.355 176.300 -0.077 0.000 1.063 64 M CA 3.976 59.290 55.300 0.022 0.000 1.119 64 M CB 0.099 32.775 32.600 0.126 0.000 1.377 64 M HN -0.240 8.098 8.290 0.080 0.000 0.415 65 V N 0.409 120.276 119.914 -0.078 0.000 2.295 65 V HA -0.607 3.384 4.120 -0.215 0.000 0.246 65 V C 1.651 177.673 176.094 -0.121 0.000 1.049 65 V CA 4.577 66.796 62.300 -0.135 0.000 1.024 65 V CB -0.532 31.234 31.823 -0.095 0.000 0.648 65 V HN -0.619 7.560 8.190 -0.018 0.000 0.447 66 K N -0.469 119.883 120.400 -0.079 0.000 2.097 66 K HA -0.338 3.952 4.320 -0.050 0.000 0.206 66 K C 2.702 179.247 176.600 -0.091 0.000 1.049 66 K CA 3.401 59.650 56.287 -0.064 0.000 0.933 66 K CB -0.253 32.223 32.500 -0.041 0.000 0.717 66 K HN -0.485 7.728 8.250 -0.062 0.000 0.442 67 I N 0.276 120.781 120.570 -0.108 0.000 2.252 67 I HA -0.494 3.615 4.170 -0.101 0.000 0.245 67 I C 2.026 178.022 176.117 -0.201 0.000 1.102 67 I CA 3.746 64.973 61.300 -0.123 0.000 1.385 67 I CB 0.027 37.970 38.000 -0.096 0.000 1.064 67 I HN -0.539 7.614 8.210 -0.095 0.000 0.414 68 M N -0.927 118.472 119.600 -0.334 0.000 2.229 68 M HA -0.356 3.842 4.480 -0.470 0.000 0.264 68 M C 2.281 178.303 176.300 -0.464 0.000 1.063 68 M CA 1.626 56.548 55.300 -0.629 0.000 1.114 68 M CB -1.490 30.263 32.600 -1.413 0.000 1.387 68 M HN -0.428 7.666 8.290 -0.327 0.000 0.420 69 C N -0.451 118.715 119.300 -0.223 0.000 2.440 69 C HA -0.369 4.214 4.460 0.204 0.000 0.278 69 C C 1.736 176.723 174.990 -0.006 0.000 1.295 69 C CA 4.490 63.530 59.018 0.036 0.000 1.738 69 C CB -0.911 26.863 27.740 0.057 0.000 1.987 69 C HN -0.013 8.085 8.230 -0.221 0.000 0.492 70 E N -1.176 118.983 120.200 -0.068 0.000 2.204 70 E HA -0.251 4.079 4.350 -0.032 0.000 0.194 70 E C 1.807 178.344 176.600 -0.105 0.000 0.989 70 E CA 2.144 58.506 56.400 -0.063 0.000 0.824 70 E CB -0.310 29.350 29.700 -0.066 0.000 0.756 70 E HN -0.650 7.655 8.360 -0.093 0.000 0.477 71 R N -1.791 118.591 120.500 -0.197 0.000 2.090 71 R HA -0.154 4.001 4.340 -0.309 0.000 0.228 71 R C 0.480 176.494 176.300 -0.477 0.000 1.110 71 R CA 2.268 58.137 56.100 -0.384 0.000 0.973 71 R CB 0.998 30.966 30.300 -0.553 0.000 0.869 71 R HN -0.737 7.292 8.270 -0.206 0.117 0.440 72 Y N -3.683 116.614 120.300 -0.005 0.000 2.562 72 Y HA 0.468 5.052 4.550 0.056 0.000 0.363 72 Y C -1.750 174.070 175.900 -0.134 0.000 0.991 72 Y CA -3.402 54.677 58.100 -0.036 0.000 1.121 72 Y CB -0.208 38.237 38.460 -0.025 0.000 1.159 72 Y HN -0.592 7.678 8.280 -0.017 0.000 0.651 73 P HA -0.039 4.548 4.420 0.053 -0.135 0.226 73 P C -0.609 176.729 177.300 0.062 0.000 1.153 73 P CA 1.072 64.215 63.100 0.071 0.000 0.777 73 P CB 0.189 31.940 31.700 0.086 0.000 0.794 74 H N -6.528 112.608 119.070 0.109 0.000 2.548 74 H HA 0.004 4.596 4.556 0.059 0.000 0.268 74 H C -0.582 174.787 175.328 0.068 0.000 0.975 74 H CA -0.561 55.533 56.048 0.077 0.000 1.195 74 H CB -0.426 29.379 29.762 0.071 0.000 1.397 74 H HN -0.058 8.215 8.280 0.060 0.043 0.572 75 I N 3.765 124.136 120.570 -0.332 0.000 2.337 75 I HA 0.217 4.311 4.170 -0.125 0.000 0.291 75 I C -2.494 173.574 176.117 -0.081 0.000 1.046 75 I CA -2.460 58.724 61.300 -0.192 0.000 1.324 75 I CB -0.249 37.596 38.000 -0.257 0.000 1.409 75 I HN -0.738 7.164 8.210 -0.446 0.040 0.494 76 P HA 0.013 4.416 4.420 -0.028 0.000 0.271 76 P C -1.488 175.757 177.300 -0.091 0.000 1.233 76 P CA -0.259 62.817 63.100 -0.040 0.000 0.764 76 P CB 0.188 31.885 31.700 -0.005 0.000 0.825 77 V N 5.195 125.045 119.914 -0.106 0.000 2.577 77 V HA 0.670 4.875 4.120 -0.218 -0.215 0.303 77 V C -1.826 174.133 176.094 -0.224 0.000 1.042 77 V CA -1.919 60.278 62.300 -0.173 0.000 0.872 77 V CB 3.961 35.723 31.823 -0.102 0.000 0.998 77 V HN 0.050 8.194 8.190 -0.076 0.000 0.423 78 A N 7.074 129.637 122.820 -0.428 0.000 2.304 78 A HA 0.682 4.937 4.320 -0.332 -0.135 0.323 78 A C -2.617 174.741 177.584 -0.377 0.000 1.195 78 A CA -2.185 49.525 52.037 -0.545 0.000 0.826 78 A CB 2.917 21.181 19.000 -1.226 0.000 1.184 78 A HN 0.449 8.289 8.150 -0.516 0.000 0.496 79 L N 4.891 126.013 121.223 -0.169 0.000 2.265 79 L HA 0.663 5.153 4.340 -0.033 -0.170 0.289 79 L C -1.831 175.143 176.870 0.173 0.000 1.033 79 L CA -1.263 53.529 54.840 -0.081 0.000 0.814 79 L CB 2.127 44.020 42.059 -0.277 0.000 1.203 79 L HN -0.178 7.968 8.230 -0.140 0.000 0.423 80 H N 8.594 127.827 119.070 0.272 0.000 2.547 80 H HA 0.558 5.624 4.556 0.456 -0.236 0.342 80 H C -1.893 173.768 175.328 0.555 0.000 1.048 80 H CA -2.172 54.146 56.048 0.450 0.000 1.204 80 H CB 3.716 33.759 29.762 0.467 0.000 1.493 80 H HN 0.704 9.235 8.280 0.419 0.000 0.511 81 L N 8.356 129.574 121.223 -0.008 0.000 2.385 81 L HA 0.315 4.805 4.340 -0.008 -0.154 0.281 81 L C -1.901 174.781 176.870 -0.313 0.000 1.106 81 L CA -0.638 54.075 54.840 -0.211 0.000 0.856 81 L CB 0.996 42.764 42.059 -0.485 0.000 1.186 81 L HN 0.038 8.223 8.230 -0.075 0.000 0.453 82 D N 8.726 129.118 120.400 -0.014 0.000 2.277 82 D HA 0.167 4.865 4.640 0.096 0.000 0.249 82 D C -0.285 176.083 176.300 0.114 0.000 1.134 82 D CA -1.017 53.041 54.000 0.096 0.000 0.863 82 D CB 0.707 41.640 40.800 0.223 0.000 1.143 82 D HN -0.180 8.237 8.370 0.078 0.000 0.458 83 H N 2.619 121.759 119.070 0.117 0.000 2.672 83 H HA -0.432 4.178 4.556 0.089 0.000 0.325 83 H C -0.870 174.463 175.328 0.007 0.000 1.158 83 H CA 1.296 57.387 56.048 0.072 0.000 1.134 83 H CB -2.727 27.072 29.762 0.063 0.000 1.553 83 H HN 0.122 8.320 8.280 -0.136 0.000 0.419 84 G N -2.257 106.564 108.800 0.035 0.000 2.365 84 G HA2 0.025 4.144 3.960 -0.026 0.000 0.249 84 G HA3 0.025 4.024 3.960 -0.060 -0.075 0.249 84 G C -0.536 174.391 174.900 0.045 0.000 1.288 84 G CA -0.012 45.082 45.100 -0.011 0.000 0.887 84 G HN -0.317 7.967 8.290 -0.009 0.000 0.524 85 T N -0.591 113.990 114.554 0.045 0.000 3.001 85 T HA 0.290 4.712 4.350 0.121 0.000 0.251 85 T C 0.438 175.197 174.700 0.098 0.000 1.040 85 T CA -0.755 61.398 62.100 0.088 0.000 0.985 85 T CB 1.488 70.400 68.868 0.073 0.000 1.011 85 T HN 0.288 8.851 8.240 0.020 -0.311 0.509 86 T N -2.890 111.701 114.554 0.062 0.000 2.883 86 T HA 0.273 4.697 4.350 0.124 0.000 0.296 86 T C -0.300 174.448 174.700 0.079 0.000 1.117 86 T CA -2.313 59.842 62.100 0.091 0.000 1.006 86 T CB 2.881 71.800 68.868 0.084 0.000 1.191 86 T HN -0.886 7.370 8.240 0.027 0.000 0.508 87 F N 3.067 123.011 119.950 -0.009 0.000 2.120 87 F HA -0.421 4.087 4.527 -0.032 0.000 0.300 87 F C 0.814 176.597 175.800 -0.029 0.000 1.095 87 F CA 4.433 62.418 58.000 -0.026 0.000 1.249 87 F CB 0.218 39.200 39.000 -0.030 0.000 0.995 87 F HN 0.587 9.053 8.300 0.277 0.000 0.480 88 E N -0.802 119.452 120.200 0.089 0.000 2.106 88 E HA -0.333 4.016 4.350 -0.001 0.000 0.192 88 E C 2.762 179.292 176.600 -0.116 0.000 0.984 88 E CA 3.253 59.656 56.400 0.005 0.000 0.806 88 E CB -0.733 29.015 29.700 0.079 0.000 0.750 88 E HN 0.334 8.791 8.360 0.183 0.013 0.458 89 S N 0.112 115.754 115.700 -0.097 0.000 2.368 89 S HA -0.263 4.136 4.470 -0.119 0.000 0.224 89 S C 1.980 176.451 174.600 -0.216 0.000 1.029 89 S CA 3.076 61.199 58.200 -0.130 0.000 0.988 89 S CB -0.051 63.095 63.200 -0.091 0.000 0.838 89 S HN -0.147 8.131 8.310 -0.053 0.000 0.462 90 C N 1.091 120.242 119.300 -0.249 0.000 2.446 90 C HA -0.385 3.907 4.460 -0.280 0.000 0.277 90 C C 1.431 176.219 174.990 -0.337 0.000 1.275 90 C CA 4.909 63.751 59.018 -0.294 0.000 1.727 90 C CB -0.610 26.965 27.740 -0.275 0.000 2.010 90 C HN -0.436 7.659 8.230 -0.226 0.000 0.486 91 E N 1.237 121.164 120.200 -0.455 0.000 2.077 91 E HA -0.370 3.748 4.350 -0.386 0.000 0.193 91 E C 2.082 178.555 176.600 -0.212 0.000 0.989 91 E CA 3.091 59.250 56.400 -0.401 0.000 0.800 91 E CB -0.246 29.145 29.700 -0.514 0.000 0.746 91 E HN -0.142 7.889 8.360 -0.548 0.000 0.452 92 K N -1.513 118.776 120.400 -0.185 0.000 2.057 92 K HA -0.296 3.977 4.320 -0.078 0.000 0.207 92 K C 2.400 178.930 176.600 -0.116 0.000 1.049 92 K CA 2.938 59.156 56.287 -0.116 0.000 0.931 92 K CB -0.162 32.278 32.500 -0.099 0.000 0.714 92 K HN -0.461 7.667 8.250 -0.203 0.000 0.440 93 A N -0.500 122.179 122.820 -0.234 0.000 1.902 93 A HA -0.213 3.902 4.320 -0.340 0.000 0.217 93 A C 2.040 179.599 177.584 -0.042 0.000 1.181 93 A CA 3.025 54.846 52.037 -0.360 0.000 0.623 93 A CB -0.845 17.662 19.000 -0.822 0.000 0.818 93 A HN -0.552 7.431 8.150 -0.278 0.000 0.443 94 V N -1.262 118.611 119.914 -0.068 0.000 2.287 94 V HA -0.550 3.614 4.120 0.074 0.000 0.248 94 V C 2.918 179.040 176.094 0.047 0.000 1.053 94 V CA 3.915 66.223 62.300 0.014 0.000 1.027 94 V CB -0.182 31.616 31.823 -0.041 0.000 0.646 94 V HN -0.267 7.839 8.190 -0.140 0.000 0.447 95 K N -0.893 119.516 120.400 0.014 0.000 2.148 95 K HA -0.272 4.067 4.320 0.032 0.000 0.204 95 K C 1.308 177.947 176.600 0.065 0.000 1.050 95 K CA 2.487 58.792 56.287 0.030 0.000 0.942 95 K CB -0.216 32.290 32.500 0.009 0.000 0.724 95 K HN -0.374 7.863 8.250 -0.022 0.000 0.446 96 A N -4.322 118.561 122.820 0.105 0.000 2.066 96 A HA -0.039 4.346 4.320 0.108 0.000 0.218 96 A C -0.239 177.446 177.584 0.169 0.000 1.157 96 A CA 0.873 53.002 52.037 0.153 0.000 0.670 96 A CB 0.613 19.749 19.000 0.227 0.000 0.804 96 A HN -0.404 7.702 8.150 0.098 0.103 0.453 97 G N -4.660 104.256 108.800 0.193 0.000 2.183 97 G HA2 -0.200 3.819 3.960 0.099 0.000 0.168 97 G HA3 -0.200 3.806 3.960 0.077 0.000 0.168 97 G C -0.152 174.826 174.900 0.130 0.000 1.008 97 G CA -0.672 44.503 45.100 0.125 0.000 0.677 97 G HN -0.796 7.595 8.290 0.212 0.026 0.498 98 F N 0.693 120.662 119.950 0.032 0.000 2.553 98 F HA -0.190 4.370 4.527 0.055 0.000 0.356 98 F C 0.494 176.316 175.800 0.038 0.000 1.142 98 F CA 1.229 59.253 58.000 0.041 0.000 1.322 98 F CB 0.650 39.668 39.000 0.029 0.000 1.126 98 F HN -0.656 8.030 8.300 0.642 0.000 0.599 99 T N -3.198 111.466 114.554 0.183 0.000 3.044 99 T HA 0.118 4.542 4.350 0.124 0.000 0.260 99 T C -0.220 174.594 174.700 0.191 0.000 1.019 99 T CA -0.393 61.785 62.100 0.129 0.000 0.921 99 T CB 0.871 69.761 68.868 0.038 0.000 1.053 99 T HN 0.223 8.551 8.240 0.147 0.000 0.533 100 S N 0.766 116.640 115.700 0.291 0.000 2.543 100 S HA 0.735 5.610 4.470 0.345 -0.198 0.271 100 S C -2.324 172.440 174.600 0.272 0.000 1.148 100 S CA -0.627 57.821 58.200 0.413 0.000 0.914 100 S CB 2.047 65.699 63.200 0.753 0.000 1.096 100 S HN -0.655 7.853 8.310 0.330 0.000 0.471 101 V N -0.026 119.960 119.914 0.121 0.000 2.709 101 V HA 0.486 4.433 4.120 -0.289 0.000 0.308 101 V C -2.571 173.478 176.094 -0.074 0.000 1.062 101 V CA -2.434 59.795 62.300 -0.118 0.000 0.901 101 V CB 3.712 35.458 31.823 -0.129 0.000 1.003 101 V HN 0.505 8.785 8.190 0.151 0.000 0.425 102 M N 5.620 125.110 119.600 -0.184 0.000 2.157 102 M HA 0.540 5.268 4.480 0.085 -0.196 0.354 102 M C -1.969 174.316 176.300 -0.025 0.000 1.170 102 M CA -0.913 54.387 55.300 0.001 0.000 1.060 102 M CB 2.656 35.300 32.600 0.074 0.000 1.615 102 M HN 0.229 8.303 8.290 -0.360 0.000 0.460 103 I N 7.865 128.441 120.570 0.010 0.000 2.306 103 I HA 0.318 4.648 4.170 0.018 -0.149 0.288 103 I C -2.619 173.535 176.117 0.061 0.000 1.036 103 I CA -2.000 59.316 61.300 0.027 0.000 1.221 103 I CB 1.744 39.758 38.000 0.024 0.000 1.385 103 I HN 0.383 8.607 8.210 0.023 0.000 0.472 104 D N 9.836 130.285 120.400 0.081 0.000 2.428 104 D HA 0.124 4.806 4.640 0.070 0.000 0.221 104 D C -1.609 174.759 176.300 0.112 0.000 1.123 104 D CA -1.108 52.955 54.000 0.106 0.000 0.869 104 D CB 1.146 42.067 40.800 0.203 0.000 1.032 104 D HN 0.208 8.630 8.370 0.087 0.000 0.506 105 A N 5.855 128.702 122.820 0.045 0.000 2.643 105 A HA 0.307 4.478 4.320 -0.247 0.000 0.295 105 A C 0.375 177.845 177.584 -0.189 0.000 1.065 105 A CA -0.784 51.205 52.037 -0.081 0.000 0.986 105 A CB 0.027 19.111 19.000 0.141 0.000 1.212 105 A HN 0.260 8.438 8.150 0.046 0.000 0.516 106 S N 1.098 116.747 115.700 -0.086 0.000 2.447 106 S HA -0.282 4.138 4.470 -0.084 0.000 0.233 106 S C 0.605 175.166 174.600 -0.064 0.000 1.006 106 S CA 2.359 60.519 58.200 -0.066 0.000 0.957 106 S CB 0.377 63.558 63.200 -0.032 0.000 0.773 106 S HN -0.636 7.933 8.310 0.000 -0.259 0.507 107 H N -2.440 116.565 119.070 -0.107 0.000 2.547 107 H HA 0.062 4.575 4.556 -0.072 0.000 0.272 107 H C -0.243 175.027 175.328 -0.097 0.000 0.989 107 H CA 0.012 55.987 56.048 -0.121 0.000 1.214 107 H CB -0.426 29.233 29.762 -0.171 0.000 1.389 107 H HN 0.157 8.339 8.280 -0.120 0.026 0.577 108 H N 1.535 120.382 119.070 -0.370 0.000 2.607 108 H HA -0.070 4.406 4.556 -0.133 0.000 0.367 108 H C -0.902 174.388 175.328 -0.065 0.000 1.181 108 H CA -0.202 55.725 56.048 -0.201 0.000 1.402 108 H CB 1.102 30.719 29.762 -0.242 0.000 1.474 108 H HN -0.814 6.931 8.280 -0.646 0.147 0.596 109 A N 1.005 123.907 122.820 0.138 0.000 2.425 109 A HA -0.112 4.282 4.320 0.125 0.000 0.242 109 A C 0.640 178.309 177.584 0.141 0.000 1.077 109 A CA -0.013 52.098 52.037 0.123 0.000 0.781 109 A CB 0.629 19.691 19.000 0.102 0.000 1.020 109 A HN 0.475 8.713 8.150 0.146 0.000 0.494 110 F N 2.731 122.710 119.950 0.048 0.000 2.111 110 F HA -0.484 4.094 4.527 0.085 0.000 0.300 110 F C 0.860 176.721 175.800 0.102 0.000 1.088 110 F CA 4.350 62.397 58.000 0.078 0.000 1.243 110 F CB 0.299 39.339 39.000 0.067 0.000 0.996 110 F HN 0.667 9.160 8.300 0.322 0.000 0.483 111 E N -2.814 117.432 120.200 0.077 0.000 2.107 111 E HA -0.269 3.995 4.350 -0.143 0.000 0.191 111 E C 2.738 179.260 176.600 -0.130 0.000 0.982 111 E CA 3.618 59.993 56.400 -0.043 0.000 0.809 111 E CB -0.870 28.877 29.700 0.078 0.000 0.756 111 E HN 0.488 8.953 8.360 0.203 0.017 0.459 112 E N 0.038 120.180 120.200 -0.097 0.000 2.107 112 E HA -0.281 3.970 4.350 -0.165 0.000 0.191 112 E C 2.014 178.523 176.600 -0.152 0.000 0.982 112 E CA 2.370 58.673 56.400 -0.161 0.000 0.809 112 E CB -0.072 29.486 29.700 -0.236 0.000 0.756 112 E HN -0.548 7.782 8.360 -0.050 0.000 0.459 113 N N 0.789 119.445 118.700 -0.074 0.000 2.043 113 N HA -0.278 4.497 4.740 0.057 0.000 0.193 113 N C 1.814 177.322 175.510 -0.002 0.000 1.037 113 N CA 3.072 56.134 53.050 0.020 0.000 0.851 113 N CB -0.088 38.434 38.487 0.058 0.000 1.027 113 N HN -0.472 7.874 8.380 -0.056 0.000 0.422 114 L N -0.472 120.649 121.223 -0.170 0.000 2.046 114 L HA -0.305 3.683 4.340 -0.587 0.000 0.208 114 L C 1.299 177.992 176.870 -0.296 0.000 1.077 114 L CA 3.447 58.042 54.840 -0.409 0.000 0.747 114 L CB -0.150 41.547 42.059 -0.603 0.000 0.896 114 L HN -0.319 7.744 8.230 -0.278 0.000 0.432 115 E N -0.614 119.461 120.200 -0.209 0.000 2.031 115 E HA -0.379 3.871 4.350 -0.166 0.000 0.193 115 E C 2.298 178.817 176.600 -0.134 0.000 0.994 115 E CA 3.220 59.522 56.400 -0.164 0.000 0.800 115 E CB 0.053 29.668 29.700 -0.142 0.000 0.752 115 E HN -0.531 7.708 8.360 -0.201 0.000 0.447 116 L N -0.927 120.231 121.223 -0.108 0.000 2.017 116 L HA -0.280 4.031 4.340 -0.049 0.000 0.208 116 L C 1.865 178.724 176.870 -0.018 0.000 1.073 116 L CA 3.040 57.851 54.840 -0.049 0.000 0.745 116 L CB -0.198 41.849 42.059 -0.020 0.000 0.894 116 L HN -0.276 7.883 8.230 -0.118 0.000 0.432 117 T N 1.969 116.499 114.554 -0.040 0.000 2.720 117 T HA -0.487 3.862 4.350 -0.002 0.000 0.268 117 T C 1.878 176.506 174.700 -0.120 0.000 1.037 117 T CA 5.456 67.526 62.100 -0.049 0.000 1.144 117 T CB -0.272 68.575 68.868 -0.036 0.000 0.864 117 T HN 0.228 8.441 8.240 -0.046 0.000 0.444 118 S N 1.069 116.662 115.700 -0.178 0.000 2.382 118 S HA -0.247 4.096 4.470 -0.211 0.000 0.228 118 S C 1.449 175.983 174.600 -0.109 0.000 1.027 118 S CA 3.413 61.505 58.200 -0.181 0.000 0.991 118 S CB -0.546 62.538 63.200 -0.194 0.000 0.823 118 S HN -0.175 8.015 8.310 -0.200 0.000 0.469 119 K N 2.461 122.823 120.400 -0.063 0.000 2.057 119 K HA -0.245 4.051 4.320 -0.039 0.000 0.206 119 K C 2.219 178.911 176.600 0.153 0.000 1.050 119 K CA 3.216 59.500 56.287 -0.006 0.000 0.935 119 K CB -0.130 32.328 32.500 -0.070 0.000 0.715 119 K HN -0.767 7.440 8.250 -0.071 0.000 0.439 120 V N -0.255 119.756 119.914 0.162 0.000 2.343 120 V HA -0.525 3.696 4.120 0.168 0.000 0.247 120 V C 1.727 177.792 176.094 -0.048 0.000 1.051 120 V CA 4.299 66.658 62.300 0.098 0.000 1.036 120 V CB 0.042 31.873 31.823 0.013 0.000 0.654 120 V HN -0.512 7.748 8.190 0.116 0.000 0.451 121 V N 0.155 119.984 119.914 -0.142 0.000 2.343 121 V HA -0.570 3.302 4.120 -0.414 0.000 0.247 121 V C 1.582 177.480 176.094 -0.327 0.000 1.051 121 V CA 4.864 66.950 62.300 -0.357 0.000 1.036 121 V CB -0.492 31.074 31.823 -0.428 0.000 0.654 121 V HN -0.116 7.998 8.190 -0.126 0.000 0.451 122 K N -0.647 119.665 120.400 -0.146 0.000 2.057 122 K HA -0.381 3.905 4.320 -0.058 0.000 0.207 122 K C 2.279 178.889 176.600 0.017 0.000 1.049 122 K CA 3.511 59.767 56.287 -0.052 0.000 0.931 122 K CB -0.144 32.344 32.500 -0.021 0.000 0.714 122 K HN -0.524 7.659 8.250 -0.111 0.000 0.440 123 M N -0.753 118.883 119.600 0.060 0.000 2.067 123 M HA -0.285 4.254 4.480 0.099 0.000 0.260 123 M C 1.902 178.221 176.300 0.032 0.000 1.069 123 M CA 2.815 58.166 55.300 0.084 0.000 1.117 123 M CB -0.305 32.385 32.600 0.149 0.000 1.334 123 M HN -0.692 7.649 8.290 0.086 0.000 0.407 124 A N -1.513 121.303 122.820 -0.006 0.000 1.898 124 A HA -0.366 3.967 4.320 0.021 0.000 0.216 124 A C 1.981 179.653 177.584 0.148 0.000 1.181 124 A CA 2.859 54.916 52.037 0.033 0.000 0.620 124 A CB -0.468 18.537 19.000 0.008 0.000 0.819 124 A HN 0.151 8.276 8.150 -0.042 0.000 0.442 125 H N -1.302 117.769 119.070 0.002 0.000 2.421 125 H HA -0.204 4.356 4.556 0.007 0.000 0.298 125 H C 3.292 178.627 175.328 0.012 0.000 1.087 125 H CA 2.177 58.228 56.048 0.005 0.000 1.330 125 H CB 0.019 29.780 29.762 -0.001 0.000 1.388 125 H HN 0.134 8.466 8.280 0.087 0.000 0.526 126 N N 0.312 119.096 118.700 0.141 0.000 2.289 126 N HA -0.186 4.600 4.740 0.076 0.000 0.184 126 N C 0.197 175.746 175.510 0.065 0.000 1.016 126 N CA 2.451 55.551 53.050 0.083 0.000 0.872 126 N CB -0.305 38.221 38.487 0.065 0.000 0.973 126 N HN -0.249 8.209 8.380 0.130 0.000 0.433 127 A N -3.870 118.991 122.820 0.068 0.000 2.308 127 A HA 0.269 4.616 4.320 0.045 0.000 0.217 127 A C 0.096 177.714 177.584 0.055 0.000 1.216 127 A CA -0.535 51.533 52.037 0.053 0.000 0.864 127 A CB 0.406 19.432 19.000 0.044 0.000 0.902 127 A HN -0.640 7.414 8.150 0.080 0.144 0.499 128 G N -0.932 107.905 108.800 0.062 0.000 2.182 128 G HA2 -0.283 3.692 3.960 0.024 0.000 0.248 128 G HA3 -0.283 3.698 3.960 0.035 0.000 0.248 128 G C -0.804 174.134 174.900 0.063 0.000 1.042 128 G CA 0.188 45.314 45.100 0.044 0.000 0.775 128 G HN -0.505 7.654 8.290 0.074 0.175 0.501 129 V N -1.034 118.940 119.914 0.099 0.000 2.628 129 V HA 0.091 4.279 4.120 0.113 0.000 0.306 129 V C -1.110 175.085 176.094 0.168 0.000 1.045 129 V CA -1.467 60.906 62.300 0.121 0.000 0.905 129 V CB 2.824 34.711 31.823 0.106 0.000 0.997 129 V HN -0.222 8.040 8.190 0.119 0.000 0.436 130 S N 4.728 120.528 115.700 0.167 0.000 2.652 130 S HA 0.265 4.959 4.470 0.159 -0.128 0.270 130 S C -1.031 173.603 174.600 0.057 0.000 1.243 130 S CA -0.776 57.511 58.200 0.145 0.000 0.999 130 S CB 1.197 64.535 63.200 0.230 0.000 0.973 130 S HN -0.273 8.145 8.310 0.180 0.000 0.544 131 V N 0.012 119.838 119.914 -0.147 0.000 2.760 131 V HA 0.651 4.951 4.120 -0.070 -0.222 0.309 131 V C -1.891 173.959 176.094 -0.407 0.000 1.077 131 V CA -1.686 60.509 62.300 -0.176 0.000 0.910 131 V CB 4.314 36.064 31.823 -0.122 0.000 1.008 131 V HN 0.231 8.559 8.190 -0.214 -0.267 0.424 132 E N 5.946 126.061 120.200 -0.142 0.000 2.195 132 E HA 0.932 5.461 4.350 -0.090 -0.233 0.271 132 E C -1.998 174.649 176.600 0.079 0.000 0.923 132 E CA -2.919 53.489 56.400 0.012 0.000 0.790 132 E CB 4.063 33.979 29.700 0.360 0.000 1.155 132 E HN 0.214 8.580 8.360 0.009 0.000 0.402 133 A N 3.375 126.262 122.820 0.111 0.000 2.483 133 A HA 0.826 5.380 4.320 0.097 -0.176 0.286 133 A C -2.460 175.144 177.584 0.034 0.000 1.207 133 A CA -2.189 49.920 52.037 0.120 0.000 0.764 133 A CB 4.306 23.483 19.000 0.295 0.000 1.341 133 A HN -0.075 8.147 8.150 0.120 0.000 0.428 134 E N -1.144 119.015 120.200 -0.067 0.000 2.331 134 E HA 0.650 5.088 4.350 -0.120 -0.160 0.275 134 E C -2.112 174.334 176.600 -0.257 0.000 0.895 134 E CA -1.336 54.979 56.400 -0.141 0.000 0.753 134 E CB 3.887 33.513 29.700 -0.124 0.000 1.216 134 E HN 0.231 8.555 8.360 -0.059 0.000 0.434 135 L N 3.551 124.629 121.223 -0.242 0.000 2.385 135 L HA 0.309 4.511 4.340 -0.231 0.000 0.273 135 L C -1.789 175.010 176.870 -0.119 0.000 0.990 135 L CA -1.144 53.559 54.840 -0.229 0.000 0.821 135 L CB 2.893 44.780 42.059 -0.286 0.000 1.279 135 L HN -0.037 8.080 8.230 -0.190 0.000 0.412 136 G N 1.060 109.813 108.800 -0.078 0.000 2.662 136 G HA2 -0.344 3.594 3.960 -0.037 0.000 0.686 136 G HA3 -0.344 3.583 3.960 -0.056 0.000 0.686 136 G C -2.624 172.246 174.900 -0.049 0.000 1.271 136 G CA -0.634 44.435 45.100 -0.052 0.000 0.816 136 G HN 0.054 8.302 8.290 -0.069 0.000 0.608 137 R N -0.084 120.393 120.500 -0.038 0.000 2.265 137 R HA 0.282 4.601 4.340 -0.035 0.000 0.319 137 R C -0.457 175.807 176.300 -0.059 0.000 1.006 137 R CA -1.138 54.939 56.100 -0.038 0.000 0.880 137 R CB 1.821 32.107 30.300 -0.023 0.000 1.077 137 R HN 0.014 8.264 8.270 -0.034 0.000 0.454 138 L N 8.589 129.761 121.223 -0.084 0.000 2.391 138 L HA 0.063 4.334 4.340 -0.115 0.000 0.249 138 L C -1.725 175.072 176.870 -0.122 0.000 1.308 138 L CA -0.119 54.644 54.840 -0.128 0.000 1.209 138 L CB -0.621 41.306 42.059 -0.220 0.000 1.401 138 L HN 0.512 8.695 8.230 -0.080 0.000 0.416 139 M N 3.289 122.839 119.600 -0.084 0.000 2.593 139 M HA 0.192 4.616 4.480 -0.094 0.000 0.290 139 M C -1.200 175.071 176.300 -0.049 0.000 1.244 139 M CA -1.802 53.455 55.300 -0.073 0.000 0.857 139 M CB 4.150 36.721 32.600 -0.049 0.000 1.738 139 M HN -0.599 7.608 8.290 -0.068 0.043 0.461 140 G N 0.436 109.210 108.800 -0.043 0.000 2.664 140 G HA2 0.058 4.275 3.960 0.048 0.000 0.242 140 G HA3 0.058 4.042 3.960 0.040 0.000 0.242 140 G C -0.246 174.681 174.900 0.046 0.000 1.225 140 G CA -0.732 44.383 45.100 0.025 0.000 0.849 140 G HN -0.045 8.208 8.290 -0.063 0.000 0.581 153 V N -0.300 119.606 119.914 -0.013 0.000 3.368 153 V HA 0.009 4.123 4.120 -0.011 0.000 0.255 153 V C -0.290 175.791 176.094 -0.021 0.000 1.466 153 V CA -0.187 62.104 62.300 -0.014 0.000 1.095 153 V CB 0.848 32.663 31.823 -0.013 0.000 0.899 153 V HN -0.200 7.981 8.190 -0.015 0.000 0.440 154 L N -1.838 119.371 121.223 -0.025 0.000 2.479 154 L HA 0.032 4.350 4.340 -0.036 0.000 0.249 154 L C 0.408 177.258 176.870 -0.033 0.000 1.178 154 L CA -1.080 53.741 54.840 -0.032 0.000 0.811 154 L CB 0.435 42.473 42.059 -0.034 0.000 1.187 154 L HN -0.699 7.518 8.230 -0.022 0.000 0.480 155 V N 0.166 120.056 119.914 -0.039 0.000 2.814 155 V HA -0.288 3.806 4.120 -0.044 0.000 0.307 155 V C -1.716 174.359 176.094 -0.032 0.000 1.089 155 V CA 0.679 62.955 62.300 -0.040 0.000 1.212 155 V CB 1.442 33.241 31.823 -0.041 0.000 0.912 155 V HN -0.156 8.009 8.190 -0.042 0.000 0.497 156 N N 7.771 126.451 118.700 -0.033 0.000 2.501 156 N HA 0.332 5.053 4.740 -0.031 0.000 0.245 156 N C -1.088 174.406 175.510 -0.027 0.000 0.974 156 N CA -4.019 49.010 53.050 -0.035 0.000 0.941 156 N CB 0.135 38.591 38.487 -0.052 0.000 1.122 156 N HN 0.254 8.614 8.380 -0.034 0.000 0.507 157 P HA -0.330 4.093 4.420 0.005 0.000 0.216 157 P C 0.847 178.149 177.300 0.002 0.000 1.154 157 P CA 2.294 65.393 63.100 -0.002 0.000 0.865 157 P CB 0.359 32.059 31.700 0.000 0.000 0.789 158 K N -4.728 115.662 120.400 -0.018 0.000 2.097 158 K HA -0.195 4.121 4.320 -0.007 0.000 0.205 158 K C 2.718 179.296 176.600 -0.038 0.000 1.050 158 K CA 2.133 58.405 56.287 -0.025 0.000 0.938 158 K CB -0.865 31.608 32.500 -0.046 0.000 0.718 158 K HN -0.601 7.791 8.250 -0.026 -0.158 0.442 159 E N -0.464 119.690 120.200 -0.077 0.000 2.077 159 E HA -0.336 3.845 4.350 -0.281 0.000 0.193 159 E C 2.259 178.951 176.600 0.154 0.000 0.989 159 E CA 3.034 59.369 56.400 -0.108 0.000 0.800 159 E CB -0.280 29.338 29.700 -0.137 0.000 0.746 159 E HN -0.521 7.790 8.360 -0.081 0.000 0.452 160 A N -1.121 121.763 122.820 0.108 0.000 1.933 160 A HA -0.276 4.151 4.320 0.178 0.000 0.218 160 A C 1.717 179.421 177.584 0.200 0.000 1.175 160 A CA 3.225 55.351 52.037 0.148 0.000 0.628 160 A CB -0.985 18.050 19.000 0.058 0.000 0.814 160 A HN -0.337 7.754 8.150 0.049 0.088 0.444 161 E N -0.886 119.390 120.200 0.128 0.000 2.058 161 E HA -0.481 3.931 4.350 0.103 0.000 0.194 161 E C 1.938 178.622 176.600 0.140 0.000 0.997 161 E CA 3.209 59.675 56.400 0.109 0.000 0.801 161 E CB -0.237 29.501 29.700 0.064 0.000 0.746 161 E HN -0.502 7.913 8.360 0.091 0.000 0.450 162 Q N -1.010 118.889 119.800 0.165 0.000 2.079 162 Q HA -0.289 4.129 4.340 0.131 0.000 0.200 162 Q C 2.192 178.354 176.000 0.270 0.000 0.974 162 Q CA 2.785 58.703 55.803 0.192 0.000 0.840 162 Q CB -0.010 28.841 28.738 0.189 0.000 0.898 162 Q HN -0.855 7.502 8.270 0.145 0.000 0.430 163 F N 0.806 120.906 119.950 0.250 0.000 2.095 163 F HA -0.454 4.159 4.527 0.143 0.000 0.298 163 F C 1.715 177.552 175.800 0.062 0.000 1.104 163 F CA 3.810 61.916 58.000 0.176 0.000 1.232 163 F CB 0.198 39.324 39.000 0.211 0.000 0.987 163 F HN -0.273 8.371 8.300 0.572 0.000 0.475 164 V N -1.063 119.016 119.914 0.275 0.000 2.358 164 V HA -0.577 3.621 4.120 0.130 0.000 0.246 164 V C 2.167 178.280 176.094 0.032 0.000 1.047 164 V CA 3.784 66.170 62.300 0.143 0.000 1.035 164 V CB -0.042 31.877 31.823 0.160 0.000 0.658 164 V HN -0.174 8.221 8.190 0.341 0.000 0.452 165 K N -0.793 119.635 120.400 0.047 0.000 2.097 165 K HA -0.257 4.075 4.320 0.021 0.000 0.206 165 K C 2.098 178.685 176.600 -0.021 0.000 1.049 165 K CA 3.034 59.333 56.287 0.020 0.000 0.933 165 K CB -0.188 32.333 32.500 0.035 0.000 0.717 165 K HN -0.830 7.468 8.250 0.081 0.000 0.442 166 E N -2.314 117.854 120.200 -0.054 0.000 2.250 166 E HA -0.104 4.207 4.350 -0.064 0.000 0.192 166 E C 1.510 178.004 176.600 -0.176 0.000 0.986 166 E CA 1.873 58.216 56.400 -0.096 0.000 0.849 166 E CB 0.375 30.024 29.700 -0.085 0.000 0.797 166 E HN -0.420 7.915 8.360 -0.043 0.000 0.482 167 S N -1.602 113.935 115.700 -0.272 0.000 2.470 167 S HA 0.001 4.289 4.470 -0.303 0.000 0.222 167 S C 0.435 174.920 174.600 -0.191 0.000 1.024 167 S CA 1.111 59.117 58.200 -0.324 0.000 0.931 167 S CB 2.037 64.883 63.200 -0.591 0.000 0.791 167 S HN -0.585 7.553 8.310 -0.286 0.000 0.513 168 Q N -3.560 116.175 119.800 -0.109 0.000 2.489 168 Q HA -0.387 4.014 4.340 0.009 -0.055 0.259 168 Q C -0.760 175.247 176.000 0.011 0.000 0.934 168 Q CA 1.229 57.023 55.803 -0.015 0.000 1.131 168 Q CB -2.664 26.089 28.738 0.024 0.000 1.472 168 Q HN -0.290 7.918 8.270 -0.104 0.000 0.560 169 V N -7.763 112.123 119.914 -0.046 0.000 3.032 169 V HA -0.257 3.816 4.120 -0.078 0.000 0.307 169 V C -0.364 175.733 176.094 0.004 0.000 1.097 169 V CA 0.438 62.717 62.300 -0.035 0.000 1.191 169 V CB 0.159 31.990 31.823 0.014 0.000 0.964 169 V HN -0.775 7.334 8.190 -0.080 0.033 0.494 170 D N 1.937 122.290 120.400 -0.079 0.000 2.183 170 D HA -0.097 4.562 4.640 0.033 0.000 0.205 170 D C -0.323 175.989 176.300 0.020 0.000 0.962 170 D CA 2.952 56.908 54.000 -0.072 0.000 0.849 170 D CB 1.547 42.246 40.800 -0.170 0.000 0.978 170 D HN -0.207 8.068 8.370 -0.158 0.000 0.488 171 Y N -8.486 111.859 120.300 0.075 0.000 2.588 171 Y HA 0.465 5.130 4.550 0.005 -0.113 0.343 171 Y C -2.198 173.738 175.900 0.060 0.000 1.065 171 Y CA -2.485 55.634 58.100 0.031 0.000 1.038 171 Y CB 2.302 40.753 38.460 -0.016 0.000 1.297 171 Y HN -0.645 7.359 8.280 -0.459 0.000 0.467 172 L N 0.728 122.069 121.223 0.197 0.000 2.381 172 L HA 0.611 5.166 4.340 0.127 -0.139 0.268 172 L C -2.088 174.841 176.870 0.098 0.000 0.997 172 L CA -1.865 53.050 54.840 0.126 0.000 0.818 172 L CB 4.849 46.964 42.059 0.094 0.000 1.310 172 L HN -0.259 8.080 8.230 0.182 0.000 0.416 173 A N 4.187 127.050 122.820 0.072 0.000 2.322 173 A HA 0.843 5.415 4.320 0.099 -0.192 0.327 173 A C -3.020 174.564 177.584 -0.000 0.000 1.394 173 A CA -3.912 48.172 52.037 0.078 0.000 0.921 173 A CB 0.379 19.461 19.000 0.137 0.000 1.153 173 A HN 0.546 8.725 8.150 0.048 0.000 0.523 174 P HA 0.330 4.845 4.420 -0.050 -0.125 0.293 174 P C -1.469 175.816 177.300 -0.026 0.000 1.313 174 P CA -1.659 61.426 63.100 -0.025 0.000 0.787 174 P CB 0.568 32.262 31.700 -0.010 0.000 0.910 175 A N 4.351 127.142 122.820 -0.048 0.000 2.484 175 A HA 0.006 4.297 4.320 -0.049 0.000 0.268 175 A C -0.381 177.175 177.584 -0.048 0.000 1.114 175 A CA 0.291 52.297 52.037 -0.051 0.000 0.780 175 A CB 0.512 19.476 19.000 -0.060 0.000 1.061 175 A HN -0.097 8.017 8.150 -0.060 0.000 0.505 176 I N -1.893 118.646 120.570 -0.051 0.000 4.160 176 I HA 0.366 4.493 4.170 -0.072 0.000 0.325 176 I C -0.526 175.540 176.117 -0.085 0.000 1.455 176 I CA -1.497 59.757 61.300 -0.077 0.000 1.142 176 I CB 0.493 38.431 38.000 -0.104 0.000 1.262 176 I HN 0.154 8.337 8.210 -0.045 0.000 0.483 177 G N -0.845 107.932 108.800 -0.039 0.000 2.273 177 G HA2 -0.300 3.669 3.960 0.014 0.000 0.162 177 G HA3 -0.300 3.675 3.960 0.024 0.000 0.162 177 G C -0.605 174.332 174.900 0.061 0.000 1.006 177 G CA -0.206 44.904 45.100 0.016 0.000 0.704 177 G HN 0.187 8.453 8.290 -0.040 0.000 0.487 178 T N -2.643 111.917 114.554 0.010 0.000 2.847 178 T HA 0.004 4.313 4.350 -0.067 0.000 0.279 178 T C -1.778 172.834 174.700 -0.146 0.000 0.984 178 T CA -1.513 60.559 62.100 -0.047 0.000 0.988 178 T CB 1.475 70.342 68.868 -0.003 0.000 1.040 178 T HN -0.549 7.688 8.240 -0.005 0.000 0.528 179 S N -1.706 113.864 115.700 -0.216 0.000 2.607 179 S HA 0.333 4.750 4.470 -0.275 -0.113 0.273 179 S C -1.290 173.203 174.600 -0.178 0.000 1.148 179 S CA -1.653 56.410 58.200 -0.228 0.000 0.833 179 S CB 2.565 65.656 63.200 -0.182 0.000 1.130 179 S HN -0.029 8.135 8.310 -0.244 0.000 0.470 180 H N 1.382 120.432 119.070 -0.033 0.000 2.629 180 H HA 0.072 4.625 4.556 -0.005 0.000 0.357 180 H C 0.659 175.964 175.328 -0.039 0.000 1.121 180 H CA 1.341 57.377 56.048 -0.019 0.000 1.406 180 H CB 0.588 30.344 29.762 -0.009 0.000 1.456 180 H HN 0.455 8.628 8.280 -0.178 0.000 0.579 181 G N 1.249 110.108 108.800 0.097 0.000 2.631 181 G HA2 -0.220 3.736 3.960 -0.006 0.000 0.504 181 G HA3 -0.220 3.773 3.960 0.054 0.000 0.504 181 G C -0.985 173.844 174.900 -0.118 0.000 1.306 181 G CA -0.631 44.475 45.100 0.010 0.000 0.897 181 G HN 0.218 8.573 8.290 0.110 0.000 0.520 182 A N 0.081 122.726 122.820 -0.292 0.000 2.208 182 A HA -0.025 4.030 4.320 -0.441 0.000 0.209 182 A C -0.840 176.232 177.584 -0.853 0.000 1.161 182 A CA 0.979 52.618 52.037 -0.663 0.000 0.782 182 A CB 0.448 18.855 19.000 -0.989 0.000 0.816 182 A HN 0.341 8.349 8.150 -0.236 0.000 0.477 183 F N -5.342 114.561 119.950 -0.079 0.000 2.449 183 F HA 0.249 4.737 4.527 -0.065 0.000 0.329 183 F C -0.079 175.625 175.800 -0.161 0.000 1.245 183 F CA -1.069 56.880 58.000 -0.084 0.000 1.193 183 F CB -0.949 38.019 39.000 -0.053 0.000 1.425 183 F HN -0.440 7.765 8.300 -0.071 0.053 0.544 184 K N -0.928 119.348 120.400 -0.207 0.000 2.314 184 K HA 0.148 4.204 4.320 -0.440 0.000 0.198 184 K C -1.248 174.846 176.600 -0.843 0.000 1.045 184 K CA 1.460 57.386 56.287 -0.602 0.000 0.988 184 K CB 1.438 33.387 32.500 -0.918 0.000 0.783 184 K HN -0.420 7.702 8.250 -0.212 0.000 0.484 185 F N -4.052 115.923 119.950 0.040 0.000 2.573 185 F HA 0.098 4.641 4.527 0.027 0.000 0.316 185 F C 0.352 176.174 175.800 0.037 0.000 1.148 185 F CA -1.342 56.674 58.000 0.027 0.000 0.940 185 F CB 2.265 41.264 39.000 -0.002 0.000 1.214 185 F HN -0.660 7.622 8.300 -0.030 0.000 0.448 186 K N 4.461 124.986 120.400 0.208 0.000 1.973 186 K HA -0.135 4.253 4.320 0.113 0.000 0.210 186 K C 0.748 177.415 176.600 0.113 0.000 1.045 186 K CA 1.223 57.587 56.287 0.128 0.000 0.937 186 K CB 0.596 33.149 32.500 0.088 0.000 0.721 186 K HN 0.321 8.695 8.250 0.206 0.000 0.438 187 G N -2.196 106.666 108.800 0.103 0.000 2.849 187 G HA2 0.221 4.207 3.960 0.045 0.000 0.174 187 G HA3 0.221 4.203 3.960 0.038 0.000 0.174 187 G C -1.974 172.937 174.900 0.019 0.000 1.370 187 G CA -1.132 43.999 45.100 0.053 0.000 1.040 187 G HN -0.323 8.036 8.290 0.115 0.000 0.582 188 E N 1.638 121.816 120.200 -0.037 0.000 2.384 188 E HA 0.013 4.280 4.350 -0.138 0.000 0.266 188 E C -1.731 174.711 176.600 -0.263 0.000 1.012 188 E CA -1.440 54.886 56.400 -0.124 0.000 0.901 188 E CB 0.511 30.158 29.700 -0.088 0.000 0.967 188 E HN 0.121 8.466 8.360 -0.024 0.000 0.435 189 P HA -0.047 3.143 4.420 -2.051 0.000 0.266 189 P C -1.726 175.294 177.300 -0.465 0.000 1.195 189 P CA 0.559 62.918 63.100 -1.235 0.000 0.768 189 P CB 0.422 31.258 31.700 -1.441 0.000 0.838 190 K N 1.874 122.095 120.400 -0.299 0.000 2.543 190 K HA 0.266 4.771 4.320 0.310 0.000 0.255 190 K C -1.828 174.782 176.600 0.017 0.000 0.934 190 K CA -0.457 55.879 56.287 0.082 0.000 0.810 190 K CB 3.128 35.641 32.500 0.022 0.000 1.315 190 K HN 0.062 7.994 8.250 -0.530 0.000 0.433 191 L N 1.461 122.533 121.223 -0.253 0.000 2.341 191 L HA 0.321 4.514 4.340 -0.245 0.000 0.267 191 L C -0.835 175.659 176.870 -0.626 0.000 1.009 191 L CA -1.553 52.980 54.840 -0.512 0.000 0.819 191 L CB 2.932 44.423 42.059 -0.947 0.000 1.323 191 L HN 0.026 8.020 8.230 -0.393 0.000 0.425 192 D N 2.188 122.329 120.400 -0.432 0.000 2.517 192 D HA 0.102 4.619 4.640 -0.204 0.000 0.220 192 D C 0.365 176.505 176.300 -0.267 0.000 1.158 192 D CA -1.164 52.676 54.000 -0.267 0.000 0.992 192 D CB -0.848 39.871 40.800 -0.135 0.000 1.058 192 D HN 0.031 8.194 8.370 -0.345 0.000 0.516 193 F N 2.328 122.220 119.950 -0.097 0.000 2.407 193 F HA -0.278 4.196 4.527 -0.088 0.000 0.299 193 F C 1.480 177.245 175.800 -0.060 0.000 1.097 193 F CA 2.644 60.587 58.000 -0.096 0.000 1.422 193 F CB 0.031 38.947 39.000 -0.140 0.000 1.067 193 F HN -0.480 7.687 8.300 -0.222 0.000 0.539 194 E N 0.537 120.794 120.200 0.095 0.000 2.047 194 E HA -0.327 4.058 4.350 0.060 0.000 0.191 194 E C 2.261 178.879 176.600 0.029 0.000 0.987 194 E CA 2.860 59.291 56.400 0.052 0.000 0.799 194 E CB -0.526 29.192 29.700 0.029 0.000 0.752 194 E HN -0.208 8.172 8.360 0.070 0.022 0.449 195 R N -0.718 119.785 120.500 0.005 0.000 2.091 195 R HA -0.325 4.014 4.340 -0.002 0.000 0.238 195 R C 2.447 178.753 176.300 0.009 0.000 1.136 195 R CA 3.108 59.206 56.100 -0.004 0.000 0.959 195 R CB -0.090 30.194 30.300 -0.028 0.000 0.856 195 R HN -0.683 7.844 8.270 -0.009 -0.262 0.437 196 L N -1.028 120.208 121.223 0.021 0.000 1.989 196 L HA -0.376 3.981 4.340 0.029 0.000 0.211 196 L C 1.613 178.514 176.870 0.052 0.000 1.071 196 L CA 3.399 58.266 54.840 0.044 0.000 0.749 196 L CB -0.292 41.821 42.059 0.091 0.000 0.890 196 L HN -0.582 7.658 8.230 0.016 0.000 0.431 197 Q N -2.067 117.769 119.800 0.060 0.000 2.124 197 Q HA -0.370 3.998 4.340 0.047 0.000 0.202 197 Q C 2.771 178.792 176.000 0.035 0.000 0.977 197 Q CA 3.260 59.091 55.803 0.046 0.000 0.850 197 Q CB -0.135 28.627 28.738 0.040 0.000 0.901 197 Q HN -0.347 7.966 8.270 0.072 0.000 0.429 198 E N 0.423 120.640 120.200 0.029 0.000 2.072 198 E HA -0.253 4.111 4.350 0.023 0.000 0.191 198 E C 2.158 178.774 176.600 0.027 0.000 0.985 198 E CA 2.609 59.023 56.400 0.023 0.000 0.801 198 E CB -0.418 29.291 29.700 0.015 0.000 0.750 198 E HN -0.568 7.809 8.360 0.029 0.000 0.452 199 V N 0.348 120.278 119.914 0.027 0.000 2.287 199 V HA -0.587 3.551 4.120 0.030 0.000 0.248 199 V C 2.349 178.468 176.094 0.042 0.000 1.053 199 V CA 4.499 66.818 62.300 0.031 0.000 1.027 199 V CB -0.235 31.603 31.823 0.025 0.000 0.646 199 V HN -0.205 7.999 8.190 0.024 0.000 0.447 200 K N -0.734 119.694 120.400 0.046 0.000 2.032 200 K HA -0.275 4.084 4.320 0.065 0.000 0.209 200 K C 2.400 179.037 176.600 0.061 0.000 1.048 200 K CA 2.321 58.644 56.287 0.060 0.000 0.927 200 K CB -0.837 31.701 32.500 0.062 0.000 0.712 200 K HN -0.251 8.025 8.250 0.044 0.000 0.441 201 R N -1.025 119.503 120.500 0.047 0.000 2.081 201 R HA -0.203 4.164 4.340 0.046 0.000 0.235 201 R C 2.387 178.713 176.300 0.043 0.000 1.131 201 R CA 2.921 59.047 56.100 0.042 0.000 0.960 201 R CB -0.182 30.136 30.300 0.031 0.000 0.856 201 R HN -0.626 7.669 8.270 0.042 0.000 0.436 202 L N -5.371 115.876 121.223 0.041 0.000 2.270 202 L HA -0.025 4.338 4.340 0.037 0.000 0.210 202 L C 1.555 178.455 176.870 0.049 0.000 1.104 202 L CA 1.909 56.774 54.840 0.041 0.000 0.804 202 L CB 0.305 42.387 42.059 0.038 0.000 0.937 202 L HN -0.482 7.771 8.230 0.039 0.000 0.450 203 T N -6.797 107.789 114.554 0.053 0.000 3.046 203 T HA -0.059 4.327 4.350 0.059 0.000 0.242 203 T C 1.004 175.728 174.700 0.040 0.000 1.018 203 T CA 0.154 62.287 62.100 0.054 0.000 1.131 203 T CB 1.693 70.597 68.868 0.060 0.000 0.904 203 T HN -0.450 7.821 8.240 0.052 0.000 0.459 204 N N 1.637 120.367 118.700 0.050 0.000 2.721 204 N HA -0.408 4.455 4.740 0.135 -0.042 0.249 204 N C -1.550 173.914 175.510 -0.077 0.000 1.072 204 N CA 1.434 54.524 53.050 0.067 0.000 0.710 204 N CB -1.429 37.110 38.487 0.086 0.000 0.993 204 N HN -0.018 8.399 8.380 0.061 0.000 0.547 205 I N -8.979 111.510 120.570 -0.136 0.000 3.067 205 I HA 0.645 4.547 4.170 -0.445 0.000 0.312 205 I C -2.248 173.680 176.117 -0.316 0.000 1.073 205 I CA -3.816 57.318 61.300 -0.277 0.000 1.016 205 I CB 1.074 39.033 38.000 -0.069 0.000 1.227 205 I HN -0.958 7.195 8.210 -0.056 0.024 0.456 206 P HA 0.186 4.759 4.420 -0.101 -0.213 0.268 206 P C -1.077 176.212 177.300 -0.019 0.000 1.205 206 P CA -0.166 62.857 63.100 -0.129 0.000 0.771 206 P CB 0.381 32.011 31.700 -0.116 0.000 0.858 207 L N 0.001 121.211 121.223 -0.021 0.000 2.319 207 L HA 0.815 5.349 4.340 0.040 -0.170 0.267 207 L C -0.499 176.343 176.870 -0.047 0.000 1.011 207 L CA -1.571 53.271 54.840 0.004 0.000 0.818 207 L CB 4.111 46.183 42.059 0.022 0.000 1.316 207 L HN -0.454 7.884 8.230 -0.027 -0.124 0.432 208 V N -1.113 118.794 119.914 -0.011 0.000 2.531 208 V HA 0.500 4.710 4.120 -0.149 -0.180 0.301 208 V C -1.562 174.541 176.094 0.015 0.000 1.034 208 V CA -1.445 60.821 62.300 -0.056 0.000 0.865 208 V CB 2.891 34.706 31.823 -0.012 0.000 0.995 208 V HN 0.223 8.432 8.190 0.031 0.000 0.424 209 L N 7.575 128.774 121.223 -0.040 0.000 2.262 209 L HA 0.465 4.844 4.340 0.065 0.000 0.288 209 L C -1.946 174.921 176.870 -0.006 0.000 1.035 209 L CA -1.826 53.025 54.840 0.017 0.000 0.820 209 L CB 1.914 43.981 42.059 0.014 0.000 1.204 209 L HN 0.382 8.550 8.230 -0.104 0.000 0.424 210 H N 5.814 124.884 119.070 -0.000 0.000 2.546 210 H HA 0.044 4.659 4.556 0.098 0.000 0.365 210 H C 0.540 175.879 175.328 0.019 0.000 1.220 210 H CA 1.347 57.430 56.048 0.059 0.000 1.386 210 H CB 2.069 31.893 29.762 0.104 0.000 1.510 210 H HN 0.530 8.987 8.280 0.295 0.000 0.591 211 G N -1.328 107.603 108.800 0.219 0.000 2.323 211 G HA2 -0.473 3.640 3.960 0.254 0.000 0.292 211 G HA3 -0.473 3.605 3.960 -0.003 -0.120 0.292 211 G C -1.066 173.877 174.900 0.071 0.000 1.040 211 G CA 0.580 45.758 45.100 0.129 0.000 0.942 211 G HN 0.729 9.252 8.290 0.388 0.000 0.506 212 A N -2.465 120.399 122.820 0.075 0.000 2.423 212 A HA 0.192 4.570 4.320 0.097 0.000 0.246 212 A C -0.812 176.825 177.584 0.087 0.000 1.278 212 A CA -0.844 51.238 52.037 0.075 0.000 0.903 212 A CB 0.920 19.944 19.000 0.040 0.000 0.997 212 A HN -0.648 7.546 8.150 0.073 0.000 0.510 213 S N -2.166 113.577 115.700 0.072 0.000 2.573 213 S HA -0.200 4.409 4.470 0.101 -0.079 0.277 213 S C -0.065 174.578 174.600 0.073 0.000 1.346 213 S CA 0.626 58.870 58.200 0.074 0.000 1.034 213 S CB 0.928 64.150 63.200 0.036 0.000 0.879 213 S HN -0.670 7.679 8.310 0.064 0.000 0.528 214 A N 3.121 125.995 122.820 0.091 0.000 2.229 214 A HA 0.401 4.979 4.320 0.038 -0.235 0.211 214 A C -0.241 177.308 177.584 -0.058 0.000 1.193 214 A CA -0.914 51.149 52.037 0.042 0.000 0.879 214 A CB 1.684 20.771 19.000 0.145 0.000 0.911 214 A HN 0.552 9.251 8.150 0.116 -0.479 0.492 215 I N -1.877 118.673 120.570 -0.033 0.000 4.936 215 I HA -0.453 3.776 4.170 -0.045 -0.087 0.126 215 I C -2.970 173.094 176.117 -0.088 0.000 1.225 215 I CA -0.313 60.946 61.300 -0.067 0.000 2.654 215 I CB -2.071 35.859 38.000 -0.117 0.000 2.044 215 I HN -0.302 8.302 8.210 -0.005 -0.397 0.324 216 P HA 0.052 4.336 4.420 -0.226 0.000 0.269 216 P C -0.172 177.111 177.300 -0.028 0.000 1.215 216 P CA -0.368 62.704 63.100 -0.046 0.000 0.780 216 P CB 0.735 32.548 31.700 0.189 0.000 0.898 217 D N 1.514 121.888 120.400 -0.042 0.000 2.123 217 D HA -0.377 4.246 4.640 -0.028 0.000 0.196 217 D C 1.584 177.898 176.300 0.024 0.000 0.992 217 D CA 4.211 58.202 54.000 -0.015 0.000 0.833 217 D CB -0.239 40.552 40.800 -0.014 0.000 0.954 217 D HN 0.437 8.766 8.370 -0.069 0.000 0.455 218 N N -0.944 117.785 118.700 0.049 0.000 2.244 218 N HA -0.232 4.536 4.740 0.046 0.000 0.183 218 N C 2.169 177.715 175.510 0.061 0.000 1.016 218 N CA 2.921 56.004 53.050 0.055 0.000 0.866 218 N CB -1.011 37.514 38.487 0.064 0.000 0.980 218 N HN 0.456 8.874 8.380 0.063 0.000 0.430 219 V N 2.202 122.156 119.914 0.066 0.000 2.307 219 V HA -0.496 3.674 4.120 0.083 0.000 0.245 219 V C 1.619 177.762 176.094 0.082 0.000 1.045 219 V CA 3.907 66.251 62.300 0.073 0.000 1.024 219 V CB -0.204 31.656 31.823 0.062 0.000 0.651 219 V HN -0.943 7.287 8.190 0.067 0.000 0.449 220 R N -0.714 119.817 120.500 0.051 0.000 2.083 220 R HA -0.408 3.972 4.340 0.067 0.000 0.237 220 R C 1.706 178.068 176.300 0.103 0.000 1.137 220 R CA 3.776 59.914 56.100 0.062 0.000 0.951 220 R CB -0.284 30.028 30.300 0.019 0.000 0.851 220 R HN -0.311 7.977 8.270 0.031 0.000 0.434 221 K N -1.059 119.384 120.400 0.071 0.000 2.057 221 K HA -0.301 4.054 4.320 0.059 0.000 0.207 221 K C 2.109 178.753 176.600 0.072 0.000 1.049 221 K CA 3.491 59.815 56.287 0.062 0.000 0.931 221 K CB -0.320 32.205 32.500 0.042 0.000 0.714 221 K HN -0.266 8.018 8.250 0.056 0.000 0.440 222 S N -0.229 115.521 115.700 0.084 0.000 2.370 222 S HA -0.350 4.150 4.470 0.051 0.000 0.226 222 S C 1.920 176.584 174.600 0.106 0.000 1.033 222 S CA 3.705 61.953 58.200 0.081 0.000 1.011 222 S CB 0.045 63.297 63.200 0.086 0.000 0.852 222 S HN -0.515 7.845 8.310 0.083 0.000 0.457 223 Y N 2.600 122.916 120.300 0.026 0.000 2.200 223 Y HA -0.383 4.190 4.550 0.039 0.000 0.290 223 Y C 1.753 177.672 175.900 0.031 0.000 1.137 223 Y CA 3.856 61.975 58.100 0.033 0.000 1.163 223 Y CB 0.144 38.624 38.460 0.033 0.000 0.988 223 Y HN -0.480 7.963 8.280 0.272 0.000 0.518 224 L N -1.526 119.770 121.223 0.121 0.000 2.093 224 L HA -0.309 4.214 4.340 0.032 -0.163 0.208 224 L C 2.826 179.688 176.870 -0.013 0.000 1.085 224 L CA 2.417 57.285 54.840 0.048 0.000 0.755 224 L CB -0.440 41.667 42.059 0.080 0.000 0.904 224 L HN -0.174 8.162 8.230 0.176 0.000 0.435 225 D N 0.010 120.408 120.400 -0.003 0.000 2.218 225 D HA -0.192 4.441 4.640 -0.010 0.000 0.204 225 D C 1.130 177.404 176.300 -0.044 0.000 0.976 225 D CA 2.460 56.451 54.000 -0.015 0.000 0.853 225 D CB -0.419 40.380 40.800 -0.002 0.000 0.939 225 D HN 0.052 8.433 8.370 0.019 0.000 0.481 226 A N -3.180 119.591 122.820 -0.083 0.000 2.370 226 A HA 0.195 4.472 4.320 -0.072 0.000 0.238 226 A C -0.114 177.383 177.584 -0.145 0.000 1.289 226 A CA -0.401 51.572 52.037 -0.108 0.000 0.885 226 A CB -0.097 18.831 19.000 -0.120 0.000 0.961 226 A HN -0.722 7.351 8.150 -0.095 0.020 0.499 227 G N -2.540 106.182 108.800 -0.130 0.000 2.157 227 G HA2 -0.301 3.619 3.960 -0.067 0.000 0.248 227 G HA3 -0.301 3.606 3.960 -0.088 0.000 0.248 227 G C 0.168 174.976 174.900 -0.154 0.000 0.979 227 G CA -0.093 44.943 45.100 -0.106 0.000 0.650 227 G HN -0.396 7.655 8.290 -0.106 0.175 0.529 228 G N -0.046 108.556 108.800 -0.330 0.000 2.572 228 G HA2 -0.042 3.735 3.960 -0.305 0.000 0.261 228 G HA3 -0.042 3.222 3.960 -1.159 0.000 0.261 228 G C -1.854 173.065 174.900 0.032 0.000 1.197 228 G CA -0.896 43.944 45.100 -0.432 0.000 0.870 228 G HN -0.441 7.571 8.290 -0.399 0.039 0.548 229 D N -0.939 119.621 120.400 0.267 0.000 2.381 229 D HA 0.208 4.962 4.640 0.190 0.000 0.235 229 D C -0.806 175.689 176.300 0.326 0.000 1.068 229 D CA -0.829 53.322 54.000 0.250 0.000 0.832 229 D CB 0.510 41.413 40.800 0.172 0.000 1.101 229 D HN 0.129 8.712 8.370 0.356 0.000 0.515 230 L N 4.797 126.173 121.223 0.255 0.000 3.186 230 L HA 0.147 4.604 4.340 0.195 0.000 0.292 230 L C -1.046 175.947 176.870 0.205 0.000 1.303 230 L CA -1.091 53.861 54.840 0.187 0.000 0.940 230 L CB 0.725 42.834 42.059 0.085 0.000 1.358 230 L HN 0.376 8.740 8.230 0.222 0.000 0.581 231 K N 1.829 122.368 120.400 0.232 0.000 2.419 231 K HA -0.192 4.213 4.320 0.142 0.000 0.282 231 K C 0.506 177.265 176.600 0.266 0.000 1.056 231 K CA 1.874 58.272 56.287 0.185 0.000 1.035 231 K CB -0.010 32.561 32.500 0.118 0.000 0.921 231 K HN -0.514 8.109 8.250 0.227 -0.237 0.472 232 G N 4.552 113.472 108.800 0.199 0.000 2.179 232 G HA2 -0.331 3.716 3.960 0.145 0.000 0.260 232 G HA3 -0.331 3.757 3.960 0.213 0.000 0.260 232 G C -0.066 175.008 174.900 0.290 0.000 0.977 232 G CA -0.071 45.157 45.100 0.214 0.000 0.641 232 G HN 0.283 8.661 8.290 0.146 0.000 0.533 233 S N 0.737 116.565 115.700 0.214 0.000 2.560 233 S HA -0.141 4.300 4.470 -0.220 -0.103 0.284 233 S C -0.581 173.987 174.600 -0.052 0.000 1.327 233 S CA 0.532 58.660 58.200 -0.119 0.000 1.055 233 S CB 1.112 64.080 63.200 -0.386 0.000 0.868 233 S HN -0.624 7.752 8.310 0.207 0.058 0.506 234 K N 3.845 124.200 120.400 -0.075 0.000 2.550 234 K HA 0.318 4.627 4.320 -0.018 0.000 0.252 234 K C -1.468 175.133 176.600 0.001 0.000 0.943 234 K CA -0.409 55.883 56.287 0.009 0.000 0.806 234 K CB 4.062 36.644 32.500 0.137 0.000 1.289 234 K HN -0.090 8.077 8.250 -0.138 0.000 0.435 235 G N 2.231 111.035 108.800 0.007 0.000 2.705 235 G HA2 0.608 4.557 3.960 -0.018 0.000 0.299 235 G HA3 0.608 4.565 3.960 -0.019 -0.009 0.299 235 G C -1.228 173.778 174.900 0.177 0.000 1.315 235 G CA -2.001 43.114 45.100 0.025 0.000 1.045 235 G HN -0.172 8.105 8.290 -0.021 0.000 0.517 236 V N 1.853 121.882 119.914 0.192 0.000 2.446 236 V HA 0.009 4.333 4.120 0.340 0.000 0.276 236 V C -1.297 174.815 176.094 0.030 0.000 1.030 236 V CA -1.717 60.724 62.300 0.235 0.000 1.033 236 V CB 0.088 32.084 31.823 0.289 0.000 0.993 236 V HN -0.099 8.174 8.190 0.139 0.000 0.477 237 P HA -0.017 4.203 4.420 -0.333 0.000 0.267 237 P C 0.088 177.407 177.300 0.031 0.000 1.200 237 P CA -0.041 62.908 63.100 -0.251 0.000 0.772 237 P CB 0.703 32.123 31.700 -0.467 0.000 0.855 238 F N 2.234 122.200 119.950 0.027 0.000 2.154 238 F HA -0.429 4.145 4.527 0.077 0.000 0.301 238 F C 1.909 177.774 175.800 0.108 0.000 1.087 238 F CA 3.313 61.352 58.000 0.065 0.000 1.274 238 F CB -0.710 38.315 39.000 0.040 0.000 1.009 238 F HN 0.439 8.579 8.300 -0.265 0.000 0.485 239 E N -1.115 119.262 120.200 0.295 0.000 2.110 239 E HA -0.237 4.408 4.350 0.209 -0.170 0.193 239 E C 2.620 179.446 176.600 0.376 0.000 0.988 239 E CA 3.415 59.976 56.400 0.268 0.000 0.804 239 E CB -0.721 29.114 29.700 0.225 0.000 0.745 239 E HN 0.376 8.854 8.360 0.221 0.015 0.458 240 F N -0.580 119.456 119.950 0.143 0.000 2.186 240 F HA -0.205 4.488 4.527 0.278 0.000 0.299 240 F C 1.927 177.869 175.800 0.236 0.000 1.090 240 F CA 1.682 59.832 58.000 0.249 0.000 1.307 240 F CB -0.435 38.732 39.000 0.279 0.000 1.019 240 F HN -0.607 7.946 8.300 0.573 0.091 0.489 241 L N -1.639 119.817 121.223 0.389 0.000 2.046 241 L HA -0.540 3.952 4.340 0.252 0.000 0.208 241 L C 2.176 179.144 176.870 0.164 0.000 1.077 241 L CA 3.626 58.620 54.840 0.257 0.000 0.747 241 L CB -0.907 41.294 42.059 0.236 0.000 0.896 241 L HN -0.597 7.873 8.230 0.401 0.000 0.432 242 Q N -2.061 117.823 119.800 0.140 0.000 2.084 242 Q HA -0.400 3.971 4.340 0.052 0.000 0.202 242 Q C 2.806 178.804 176.000 -0.003 0.000 0.978 242 Q CA 3.330 59.170 55.803 0.061 0.000 0.844 242 Q CB -0.282 28.488 28.738 0.053 0.000 0.898 242 Q HN -0.375 8.002 8.270 0.179 0.000 0.426 243 E N -0.464 119.701 120.200 -0.059 0.000 2.077 243 E HA -0.286 3.880 4.350 -0.307 0.000 0.193 243 E C 2.715 179.197 176.600 -0.197 0.000 0.989 243 E CA 2.910 59.123 56.400 -0.311 0.000 0.800 243 E CB -0.344 28.873 29.700 -0.804 0.000 0.746 243 E HN -0.410 7.950 8.360 -0.000 0.000 0.452 244 S N 0.419 116.159 115.700 0.066 0.000 2.356 244 S HA -0.240 4.393 4.470 0.271 0.000 0.223 244 S C 2.467 177.110 174.600 0.072 0.000 1.032 244 S CA 3.548 61.857 58.200 0.181 0.000 1.005 244 S CB -0.514 62.819 63.200 0.221 0.000 0.867 244 S HN -0.175 8.215 8.310 0.134 0.000 0.449 245 V N 2.252 122.192 119.914 0.043 0.000 2.343 245 V HA -0.430 3.897 4.120 0.016 -0.197 0.247 245 V C 2.765 178.858 176.094 -0.001 0.000 1.051 245 V CA 3.869 66.180 62.300 0.020 0.000 1.036 245 V CB -0.271 31.569 31.823 0.029 0.000 0.654 245 V HN -0.463 7.758 8.190 0.052 0.000 0.451 246 K N -1.365 119.020 120.400 -0.025 0.000 2.147 246 K HA -0.266 4.034 4.320 -0.033 0.000 0.205 246 K C 1.952 178.530 176.600 -0.037 0.000 1.049 246 K CA 2.670 58.931 56.287 -0.044 0.000 0.936 246 K CB -0.301 32.152 32.500 -0.080 0.000 0.722 246 K HN -0.444 7.786 8.250 -0.034 0.000 0.446 247 G N -5.443 103.344 108.800 -0.023 0.000 2.813 247 G HA2 0.069 4.029 3.960 -0.000 0.000 0.209 247 G HA3 0.069 4.056 3.960 0.044 0.000 0.209 247 G C -0.711 174.211 174.900 0.036 0.000 1.150 247 G CA -0.198 44.911 45.100 0.015 0.000 0.785 247 G HN -0.413 7.745 8.290 -0.023 0.118 0.535 248 G N -2.622 106.196 108.800 0.030 0.000 2.273 248 G HA2 -0.203 3.780 3.960 0.037 0.000 0.162 248 G HA3 -0.203 3.792 3.960 0.058 0.000 0.162 248 G C -0.876 174.046 174.900 0.037 0.000 1.006 248 G CA -0.557 44.569 45.100 0.043 0.000 0.704 248 G HN -0.693 7.466 8.290 0.021 0.144 0.487 249 I N 1.754 122.338 120.570 0.023 0.000 2.533 249 I HA -0.283 3.880 4.170 -0.012 0.000 0.284 249 I C -1.005 175.082 176.117 -0.050 0.000 1.109 249 I CA -0.167 61.129 61.300 -0.007 0.000 1.412 249 I CB -1.723 36.285 38.000 0.012 0.000 1.396 249 I HN -0.372 7.858 8.210 0.033 0.000 0.543 250 N N 6.453 125.090 118.700 -0.106 0.000 2.257 250 N HA 0.259 5.063 4.740 -0.152 -0.155 0.200 250 N C -0.813 174.537 175.510 -0.267 0.000 1.163 250 N CA 0.452 53.398 53.050 -0.174 0.000 0.891 250 N CB 3.230 41.611 38.487 -0.178 0.000 1.067 250 N HN 0.520 8.832 8.380 -0.115 0.000 0.497 251 K N 1.181 121.389 120.400 -0.320 0.000 2.426 251 K HA 0.637 4.853 4.320 -0.491 -0.191 0.254 251 K C -2.583 173.807 176.600 -0.351 0.000 0.936 251 K CA -1.167 54.836 56.287 -0.473 0.000 0.801 251 K CB 3.522 35.571 32.500 -0.751 0.000 1.139 251 K HN -0.635 7.457 8.250 -0.265 0.000 0.424 252 V N 7.250 126.956 119.914 -0.346 0.000 2.357 252 V HA 0.314 4.312 4.120 -0.203 0.000 0.281 252 V C -1.407 174.492 176.094 -0.325 0.000 1.015 252 V CA -1.500 60.647 62.300 -0.255 0.000 0.827 252 V CB 1.256 32.983 31.823 -0.160 0.000 1.018 252 V HN 0.248 8.202 8.190 -0.393 0.000 0.432 253 N N 9.046 127.566 118.700 -0.300 0.000 2.475 253 N HA 0.132 4.835 4.740 -0.326 -0.159 0.267 253 N C -1.023 174.397 175.510 -0.150 0.000 1.169 253 N CA 0.632 53.514 53.050 -0.279 0.000 0.947 253 N CB 0.745 39.026 38.487 -0.343 0.000 1.061 253 N HN 0.305 8.512 8.380 -0.287 0.000 0.466 254 T N 4.746 119.212 114.554 -0.147 0.000 3.031 254 T HA 0.323 4.688 4.350 0.025 0.000 0.305 254 T C -2.198 172.559 174.700 0.094 0.000 0.985 254 T CA 0.077 62.172 62.100 -0.008 0.000 1.008 254 T CB 2.264 71.139 68.868 0.011 0.000 1.005 254 T HN 0.181 8.304 8.240 -0.195 0.000 0.444 255 D N 5.793 126.244 120.400 0.085 0.000 2.954 255 D HA 0.301 5.009 4.640 0.114 0.000 0.266 255 D C 0.831 177.160 176.300 0.049 0.000 1.277 255 D CA 1.464 55.511 54.000 0.077 0.000 1.130 255 D CB 1.198 42.018 40.800 0.034 0.000 1.440 255 D HN -0.181 8.230 8.370 0.069 0.000 0.427 256 T N 3.014 117.580 114.554 0.020 0.000 2.699 256 T HA -0.428 3.902 4.350 -0.033 0.000 0.268 256 T C 1.708 176.399 174.700 -0.014 0.000 1.036 256 T CA 5.179 67.267 62.100 -0.020 0.000 1.147 256 T CB -0.178 68.660 68.868 -0.051 0.000 0.862 256 T HN -0.243 8.011 8.240 0.023 0.000 0.446 257 D N 1.072 121.486 120.400 0.024 0.000 2.133 257 D HA -0.239 4.408 4.640 0.011 0.000 0.195 257 D C 2.185 178.523 176.300 0.064 0.000 0.997 257 D CA 3.332 57.358 54.000 0.044 0.000 0.840 257 D CB -0.450 40.409 40.800 0.098 0.000 0.947 257 D HN -0.611 7.783 8.370 0.041 0.000 0.452 258 L N -1.322 119.953 121.223 0.086 0.000 2.017 258 L HA -0.301 4.098 4.340 0.098 0.000 0.208 258 L C 1.933 178.864 176.870 0.102 0.000 1.073 258 L CA 3.139 58.035 54.840 0.093 0.000 0.745 258 L CB -0.578 41.537 42.059 0.093 0.000 0.894 258 L HN -0.577 7.702 8.230 0.096 0.009 0.432 259 R N -1.089 119.443 120.500 0.053 0.000 2.073 259 R HA -0.357 4.017 4.340 0.057 0.000 0.234 259 R C 2.681 179.045 176.300 0.108 0.000 1.134 259 R CA 3.602 59.735 56.100 0.055 0.000 0.952 259 R CB -0.224 30.070 30.300 -0.009 0.000 0.850 259 R HN -0.746 7.543 8.270 0.032 0.000 0.433 260 I N -0.907 119.668 120.570 0.009 0.000 2.163 260 I HA -0.503 3.589 4.170 -0.130 0.000 0.243 260 I C 1.718 177.910 176.117 0.125 0.000 1.085 260 I CA 3.802 65.065 61.300 -0.063 0.000 1.347 260 I CB -0.345 37.518 38.000 -0.228 0.000 1.044 260 I HN -0.294 7.901 8.210 -0.024 0.000 0.408 261 A N -0.426 122.471 122.820 0.129 0.000 1.898 261 A HA -0.299 4.108 4.320 0.145 0.000 0.216 261 A C 1.728 179.427 177.584 0.192 0.000 1.181 261 A CA 2.902 55.030 52.037 0.151 0.000 0.620 261 A CB -0.781 18.289 19.000 0.117 0.000 0.819 261 A HN -0.552 7.659 8.150 0.102 0.000 0.442 262 F N 0.381 120.385 119.950 0.090 0.000 2.051 262 F HA -0.310 4.281 4.527 0.107 0.000 0.296 262 F C 1.505 177.402 175.800 0.162 0.000 1.122 262 F CA 3.454 61.520 58.000 0.108 0.000 1.201 262 F CB 0.819 39.863 39.000 0.073 0.000 0.978 262 F HN -0.626 7.888 8.300 0.357 0.000 0.472 263 I N -2.626 118.198 120.570 0.424 0.000 2.546 263 I HA -0.446 3.953 4.170 0.383 0.000 0.255 263 I C 1.886 178.173 176.117 0.283 0.000 1.163 263 I CA 1.149 62.677 61.300 0.380 0.000 1.457 263 I CB -1.615 36.630 38.000 0.408 0.000 1.092 263 I HN 0.050 8.519 8.210 0.432 0.000 0.434 264 A N 0.268 123.279 122.820 0.318 0.000 1.908 264 A HA -0.368 4.020 4.320 0.113 0.000 0.218 264 A C 1.808 179.435 177.584 0.072 0.000 1.181 264 A CA 3.684 55.843 52.037 0.203 0.000 0.627 264 A CB -0.869 18.289 19.000 0.263 0.000 0.818 264 A HN 0.068 8.418 8.150 0.359 0.015 0.445 265 E N -1.927 118.299 120.200 0.043 0.000 2.107 265 E HA -0.239 4.101 4.350 -0.016 0.000 0.191 265 E C 2.502 179.106 176.600 0.007 0.000 0.982 265 E CA 2.369 58.758 56.400 -0.018 0.000 0.809 265 E CB -0.456 29.195 29.700 -0.082 0.000 0.756 265 E HN -0.598 7.790 8.360 0.046 0.000 0.459 266 V N 0.402 120.354 119.914 0.063 0.000 2.343 266 V HA -0.521 3.779 4.120 0.300 0.000 0.247 266 V C 1.979 178.204 176.094 0.218 0.000 1.051 266 V CA 4.588 67.023 62.300 0.226 0.000 1.036 266 V CB -0.323 31.682 31.823 0.303 0.000 0.654 266 V HN -0.699 7.440 8.190 0.042 0.076 0.451 267 R N -1.573 119.000 120.500 0.122 0.000 2.081 267 R HA -0.378 4.020 4.340 0.097 0.000 0.235 267 R C 2.089 178.408 176.300 0.032 0.000 1.131 267 R CA 3.848 59.986 56.100 0.063 0.000 0.960 267 R CB -0.355 29.921 30.300 -0.040 0.000 0.856 267 R HN -0.098 8.236 8.270 0.107 0.000 0.436 268 K N -0.065 120.335 120.400 -0.000 0.000 2.063 268 K HA -0.295 4.004 4.320 -0.035 0.000 0.208 268 K C 2.244 178.809 176.600 -0.058 0.000 1.048 268 K CA 3.276 59.544 56.287 -0.032 0.000 0.928 268 K CB -0.233 32.242 32.500 -0.041 0.000 0.713 268 K HN -0.560 7.692 8.250 0.002 0.000 0.442 269 V N -0.757 119.101 119.914 -0.092 0.000 2.307 269 V HA -0.495 3.470 4.120 -0.258 0.000 0.245 269 V C 1.519 177.503 176.094 -0.183 0.000 1.045 269 V CA 3.959 66.099 62.300 -0.266 0.000 1.024 269 V CB -0.059 31.400 31.823 -0.608 0.000 0.651 269 V HN -0.530 7.626 8.190 -0.056 0.000 0.449 270 A N -1.515 121.357 122.820 0.087 0.000 1.948 270 A HA -0.350 4.152 4.320 0.304 0.000 0.220 270 A C 2.353 179.982 177.584 0.076 0.000 1.177 270 A CA 3.135 55.304 52.037 0.221 0.000 0.636 270 A CB -0.593 18.577 19.000 0.283 0.000 0.815 270 A HN -0.220 8.045 8.150 0.191 0.000 0.449 271 N N -2.767 115.950 118.700 0.028 0.000 2.216 271 N HA -0.212 4.538 4.740 0.016 0.000 0.183 271 N C 1.660 177.160 175.510 -0.015 0.000 1.017 271 N CA 2.356 55.408 53.050 0.004 0.000 0.861 271 N CB -0.196 38.283 38.487 -0.012 0.000 0.986 271 N HN -0.203 8.087 8.380 0.021 0.102 0.428 272 E N -2.984 117.190 120.200 -0.044 0.000 2.385 272 E HA 0.000 4.326 4.350 -0.041 0.000 0.194 272 E C -0.437 176.126 176.600 -0.062 0.000 1.013 272 E CA 1.071 57.438 56.400 -0.056 0.000 0.866 272 E CB 1.071 30.727 29.700 -0.075 0.000 0.832 272 E HN -0.596 7.728 8.360 -0.060 0.000 0.500 273 D N -0.907 119.451 120.400 -0.070 0.000 2.375 273 D HA 0.125 4.737 4.640 -0.047 0.000 0.241 273 D C -0.287 176.003 176.300 -0.017 0.000 1.361 273 D CA -0.944 53.018 54.000 -0.064 0.000 0.995 273 D CB 0.636 41.365 40.800 -0.118 0.000 1.312 273 D HN -0.657 7.669 8.370 -0.072 0.000 0.576 274 K N 4.776 125.186 120.400 0.016 0.000 2.365 274 K HA -0.077 4.290 4.320 0.079 0.000 0.199 274 K C 0.768 177.426 176.600 0.096 0.000 1.045 274 K CA 1.353 57.676 56.287 0.060 0.000 0.962 274 K CB -0.577 31.953 32.500 0.049 0.000 0.759 274 K HN 0.448 8.702 8.250 0.007 0.000 0.469 275 S N -1.961 113.776 115.700 0.061 0.000 2.575 275 S HA 0.013 4.586 4.470 0.172 0.000 0.215 275 S C -0.141 174.477 174.600 0.032 0.000 0.966 275 S CA -0.154 58.101 58.200 0.091 0.000 0.911 275 S CB 0.200 63.420 63.200 0.033 0.000 0.780 275 S HN -0.392 8.166 8.310 0.022 -0.234 0.514 276 Q N 2.996 122.802 119.800 0.010 0.000 2.294 276 Q HA -0.040 4.136 4.340 -0.272 0.000 0.257 276 Q C -0.837 175.272 176.000 0.182 0.000 0.955 276 Q CA 0.120 55.863 55.803 -0.101 0.000 0.936 276 Q CB 0.089 28.693 28.738 -0.223 0.000 1.188 276 Q HN -0.910 7.322 8.270 0.036 0.059 0.420 277 F N 0.956 121.004 119.950 0.163 0.000 2.901 277 F HA 0.324 5.069 4.527 0.364 0.000 0.329 277 F C -1.381 174.512 175.800 0.154 0.000 1.185 277 F CA -2.163 55.964 58.000 0.212 0.000 1.114 277 F CB 0.757 39.816 39.000 0.100 0.000 1.199 277 F HN 0.015 7.940 8.300 -0.625 0.000 0.513 278 D N 3.526 123.957 120.400 0.050 0.000 2.338 278 D HA -0.011 4.690 4.640 0.102 0.000 0.255 278 D C 0.780 177.166 176.300 0.142 0.000 1.237 278 D CA -0.183 53.855 54.000 0.064 0.000 0.883 278 D CB 0.914 41.681 40.800 -0.055 0.000 1.087 278 D HN -0.435 8.164 8.370 -0.110 -0.295 0.485 279 L N 5.533 126.824 121.223 0.115 0.000 2.081 279 L HA -0.420 3.810 4.340 -0.185 0.000 0.212 279 L C 1.538 178.371 176.870 -0.062 0.000 1.080 279 L CA 3.105 57.928 54.840 -0.027 0.000 0.754 279 L CB 0.041 42.183 42.059 0.139 0.000 0.893 279 L HN 0.554 8.861 8.230 0.130 0.000 0.433 280 R N -2.957 117.590 120.500 0.079 0.000 2.115 280 R HA -0.385 4.073 4.340 0.197 0.000 0.230 280 R C 2.338 178.652 176.300 0.023 0.000 1.111 280 R CA 3.308 59.472 56.100 0.107 0.000 0.976 280 R CB -0.566 29.797 30.300 0.105 0.000 0.870 280 R HN -0.363 8.185 8.270 0.092 -0.222 0.445 281 K N -1.649 118.720 120.400 -0.050 0.000 2.211 281 K HA -0.212 4.030 4.320 -0.130 0.000 0.203 281 K C 1.526 177.958 176.600 -0.279 0.000 1.050 281 K CA 2.231 58.416 56.287 -0.169 0.000 0.945 281 K CB -0.553 31.797 32.500 -0.251 0.000 0.732 281 K HN -0.601 7.618 8.250 -0.033 0.012 0.451 282 F N -2.757 117.001 119.950 -0.321 0.000 2.219 282 F HA -0.213 4.163 4.527 -0.251 0.000 0.294 282 F C 1.698 177.357 175.800 -0.234 0.000 1.086 282 F CA 3.748 61.513 58.000 -0.393 0.000 1.330 282 F CB 0.566 39.108 39.000 -0.763 0.000 1.047 282 F HN -0.733 7.436 8.300 -0.034 0.110 0.495 283 F N -3.852 116.198 119.950 0.166 0.000 2.698 283 F HA 0.016 4.488 4.527 -0.092 0.000 0.295 283 F C 1.707 177.520 175.800 0.021 0.000 1.124 283 F CA -0.708 57.334 58.000 0.069 0.000 1.426 283 F CB -0.798 38.345 39.000 0.239 0.000 1.120 283 F HN -0.323 7.953 8.300 -0.040 0.000 0.583 284 S N 1.056 116.859 115.700 0.170 0.000 2.355 284 S HA -0.007 4.545 4.470 0.136 0.000 0.222 284 S C -0.822 173.797 174.600 0.032 0.000 1.031 284 S CA 5.118 63.379 58.200 0.102 0.000 0.993 284 S CB -2.685 60.557 63.200 0.069 0.000 0.859 284 S HN -0.141 8.249 8.310 0.132 0.000 0.453 285 P HA -0.072 4.329 4.420 -0.030 0.000 0.219 285 P C 0.470 177.721 177.300 -0.082 0.000 1.150 285 P CA 2.129 65.201 63.100 -0.046 0.000 0.814 285 P CB -0.631 31.026 31.700 -0.071 0.000 0.787 286 A N -1.937 120.777 122.820 -0.176 0.000 1.877 286 A HA -0.287 3.816 4.320 -0.362 0.000 0.216 286 A C 2.027 179.494 177.584 -0.195 0.000 1.186 286 A CA 3.022 54.784 52.037 -0.458 0.000 0.620 286 A CB -0.759 17.457 19.000 -1.306 0.000 0.822 286 A HN -0.657 7.396 8.150 -0.146 0.009 0.443 287 Q N -1.268 118.531 119.800 -0.002 0.000 2.096 287 Q HA -0.371 4.123 4.340 0.257 0.000 0.204 287 Q C 2.499 178.540 176.000 0.068 0.000 0.982 287 Q CA 3.128 59.016 55.803 0.141 0.000 0.850 287 Q CB -0.084 28.730 28.738 0.126 0.000 0.901 287 Q HN -0.364 7.909 8.270 0.005 0.000 0.422 288 L N -0.716 120.525 121.223 0.029 0.000 2.046 288 L HA -0.315 4.034 4.340 0.015 0.000 0.208 288 L C 1.029 177.907 176.870 0.014 0.000 1.077 288 L CA 3.091 57.941 54.840 0.015 0.000 0.747 288 L CB -0.483 41.579 42.059 0.005 0.000 0.896 288 L HN -0.425 7.816 8.230 0.019 0.000 0.432 289 A N -1.543 121.287 122.820 0.017 0.000 1.930 289 A HA -0.309 4.025 4.320 0.023 0.000 0.217 289 A C 1.854 179.468 177.584 0.051 0.000 1.175 289 A CA 3.013 55.068 52.037 0.030 0.000 0.627 289 A CB -0.694 18.325 19.000 0.030 0.000 0.815 289 A HN -0.525 7.627 8.150 0.005 0.000 0.443 290 L N -0.781 120.495 121.223 0.088 0.000 2.017 290 L HA -0.441 3.955 4.340 0.094 0.000 0.208 290 L C 1.430 178.298 176.870 -0.003 0.000 1.073 290 L CA 3.130 58.026 54.840 0.092 0.000 0.745 290 L CB -0.129 42.047 42.059 0.196 0.000 0.894 290 L HN -0.397 7.897 8.230 0.107 0.000 0.432 291 K N -1.137 119.255 120.400 -0.014 0.000 2.074 291 K HA -0.462 3.788 4.320 -0.118 0.000 0.209 291 K C 2.148 178.702 176.600 -0.077 0.000 1.048 291 K CA 3.451 59.696 56.287 -0.070 0.000 0.926 291 K CB -0.336 32.137 32.500 -0.044 0.000 0.713 291 K HN 0.115 8.374 8.250 0.016 0.000 0.444 292 N N -1.460 117.218 118.700 -0.036 0.000 2.166 292 N HA -0.210 4.506 4.740 -0.041 0.000 0.186 292 N C 2.349 177.841 175.510 -0.030 0.000 1.019 292 N CA 2.709 55.741 53.050 -0.030 0.000 0.856 292 N CB -0.335 38.148 38.487 -0.006 0.000 0.993 292 N HN -0.548 7.822 8.380 -0.017 0.000 0.426 293 V N 0.927 120.832 119.914 -0.014 0.000 2.295 293 V HA -0.489 3.651 4.120 0.033 0.000 0.246 293 V C 1.473 177.544 176.094 -0.038 0.000 1.049 293 V CA 4.544 66.850 62.300 0.009 0.000 1.024 293 V CB -0.016 31.833 31.823 0.045 0.000 0.648 293 V HN -0.640 7.546 8.190 -0.006 0.000 0.447 294 V N -0.028 119.795 119.914 -0.151 0.000 2.343 294 V HA -0.615 3.303 4.120 -0.336 0.000 0.247 294 V C 1.727 177.703 176.094 -0.197 0.000 1.051 294 V CA 4.700 66.795 62.300 -0.342 0.000 1.036 294 V CB -0.458 30.962 31.823 -0.672 0.000 0.654 294 V HN -0.483 7.612 8.190 -0.158 0.000 0.451 295 K N -0.388 119.923 120.400 -0.148 0.000 2.032 295 K HA -0.345 3.908 4.320 -0.113 0.000 0.209 295 K C 2.627 179.180 176.600 -0.078 0.000 1.048 295 K CA 3.671 59.895 56.287 -0.105 0.000 0.927 295 K CB -0.245 32.203 32.500 -0.086 0.000 0.712 295 K HN -0.144 8.021 8.250 -0.142 0.000 0.441 296 E N -1.662 118.494 120.200 -0.073 0.000 2.118 296 E HA -0.312 3.975 4.350 -0.105 0.000 0.195 296 E C 2.745 179.275 176.600 -0.116 0.000 0.992 296 E CA 2.739 59.079 56.400 -0.100 0.000 0.804 296 E CB -0.423 29.216 29.700 -0.102 0.000 0.741 296 E HN -0.501 7.820 8.360 -0.066 0.000 0.458 297 R N -0.360 120.115 120.500 -0.041 0.000 2.092 297 R HA -0.174 4.137 4.340 -0.050 0.000 0.231 297 R C 2.485 178.814 176.300 0.050 0.000 1.119 297 R CA 2.047 58.163 56.100 0.026 0.000 0.970 297 R CB -0.539 29.881 30.300 0.201 0.000 0.864 297 R HN -0.494 7.766 8.270 -0.017 0.000 0.440 298 M N -0.548 119.087 119.600 0.057 0.000 2.117 298 M HA -0.385 4.149 4.480 0.089 0.000 0.262 298 M C 2.174 178.460 176.300 -0.022 0.000 1.065 298 M CA 4.228 59.554 55.300 0.042 0.000 1.114 298 M CB -0.047 32.559 32.600 0.010 0.000 1.361 298 M HN -0.212 8.099 8.290 0.036 0.000 0.408 299 K N -1.699 118.668 120.400 -0.055 0.000 2.057 299 K HA -0.344 3.932 4.320 -0.073 0.000 0.206 299 K C 2.784 179.337 176.600 -0.078 0.000 1.050 299 K CA 3.044 59.287 56.287 -0.074 0.000 0.935 299 K CB -0.132 32.316 32.500 -0.086 0.000 0.715 299 K HN -0.673 7.542 8.250 -0.060 0.000 0.439 300 L N -0.794 120.368 121.223 -0.102 0.000 2.056 300 L HA -0.273 3.996 4.340 -0.118 0.000 0.207 300 L C 1.105 177.951 176.870 -0.040 0.000 1.078 300 L CA 2.725 57.497 54.840 -0.113 0.000 0.749 300 L CB 0.094 42.024 42.059 -0.214 0.000 0.901 300 L HN -0.515 7.566 8.230 -0.114 0.081 0.433 301 L N -6.430 114.787 121.223 -0.009 0.000 2.418 301 L HA -0.114 4.247 4.340 0.035 0.000 0.218 301 L C 0.484 177.385 176.870 0.052 0.000 1.125 301 L CA 0.678 55.537 54.840 0.032 0.000 0.835 301 L CB 0.335 42.420 42.059 0.045 0.000 0.953 301 L HN -0.326 7.898 8.230 -0.010 0.000 0.454 302 G N -2.864 105.935 108.800 -0.001 0.000 2.141 302 G HA2 -0.407 3.510 3.960 -0.073 0.000 0.231 302 G HA3 -0.407 3.556 3.960 0.004 0.000 0.231 302 G C -0.129 174.644 174.900 -0.210 0.000 0.984 302 G CA 0.592 45.662 45.100 -0.049 0.000 0.660 302 G HN -0.447 7.798 8.290 -0.023 0.032 0.525 303 S N -0.986 114.621 115.700 -0.155 0.000 2.548 303 S HA -0.046 4.012 4.470 -0.688 0.000 0.215 303 S C 0.321 174.779 174.600 -0.236 0.000 0.976 303 S CA -0.350 57.679 58.200 -0.286 0.000 0.908 303 S CB 0.539 63.735 63.200 -0.008 0.000 0.781 303 S HN -0.316 7.960 8.310 -0.057 0.000 0.519 304 A N 2.182 124.905 122.820 -0.160 0.000 2.511 304 A HA -0.265 4.121 4.320 -0.104 -0.128 0.242 304 A C -0.010 177.484 177.584 -0.149 0.000 1.069 304 A CA 1.007 52.969 52.037 -0.125 0.000 0.763 304 A CB -0.254 18.690 19.000 -0.093 0.000 1.001 304 A HN -0.874 7.161 8.150 -0.134 0.035 0.498 305 N N 0.216 118.849 118.700 -0.112 0.000 2.776 305 N HA -0.313 4.431 4.740 -0.069 -0.045 0.250 305 N C -0.213 175.221 175.510 -0.126 0.000 1.112 305 N CA 2.022 55.014 53.050 -0.096 0.000 0.733 305 N CB -1.791 36.646 38.487 -0.083 0.000 1.097 305 N HN 0.248 8.481 8.380 -0.091 0.092 0.558 306 K N -4.892 115.406 120.400 -0.171 0.000 2.358 306 K HA 0.193 4.408 4.320 -0.175 0.000 0.197 306 K C -0.015 176.550 176.600 -0.058 0.000 1.025 306 K CA -1.457 54.714 56.287 -0.194 0.000 1.104 306 K CB 0.540 32.747 32.500 -0.488 0.000 0.855 306 K HN -0.584 7.536 8.250 -0.171 0.028 0.531 307 I N 0.000 120.554 120.570 -0.027 0.000 2.984 307 I HA 0.000 4.189 4.170 0.032 0.000 0.288 307 I CA 0.000 61.313 61.300 0.021 0.000 1.566 307 I CB 0.000 38.031 38.000 0.052 0.000 1.214 307 I HN 0.000 8.187 8.210 -0.038 0.000 0.494