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_U 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 4.505 4.480 0.042 0.000 0.227 1 M C 0.000 176.303 176.300 0.006 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 L N 3.022 124.249 121.223 0.006 0.000 2.562 2 L HA 0.166 4.675 4.340 -0.035 -0.190 0.271 2 L C -0.229 176.626 176.870 -0.025 0.000 1.167 2 L CA 0.641 55.470 54.840 -0.019 0.000 0.917 2 L CB -0.616 41.434 42.059 -0.015 0.000 1.187 2 L HN 0.089 8.327 8.230 0.013 0.000 0.482 3 V N 0.665 120.549 119.914 -0.050 0.000 3.141 3 V HA 0.534 4.645 4.120 -0.014 0.000 0.312 3 V C -1.896 174.174 176.094 -0.039 0.000 1.157 3 V CA -3.099 59.180 62.300 -0.034 0.000 1.041 3 V CB 3.772 35.577 31.823 -0.030 0.000 1.071 3 V HN 0.611 8.752 8.190 -0.081 0.000 0.441 4 K N -0.775 119.627 120.400 0.002 0.000 2.355 4 K HA 0.008 4.504 4.320 0.054 -0.143 0.270 4 K C 1.769 178.401 176.600 0.053 0.000 1.003 4 K CA 0.097 56.410 56.287 0.043 0.000 0.957 4 K CB -0.346 32.192 32.500 0.063 0.000 0.939 4 K HN 0.343 8.599 8.250 0.010 0.000 0.482 5 G N 2.413 111.302 108.800 0.149 0.000 2.469 5 G HA2 -0.390 3.553 3.960 -0.029 0.000 0.219 5 G HA3 -0.390 3.921 3.960 0.584 0.000 0.219 5 G C 0.510 175.619 174.900 0.348 0.000 1.150 5 G CA 2.272 47.544 45.100 0.287 0.000 0.763 5 G HN 0.431 8.841 8.290 0.200 0.000 0.561 6 N N 0.567 119.485 118.700 0.362 0.000 2.494 6 N HA -0.133 4.762 4.740 0.259 0.000 0.182 6 N C 1.493 177.084 175.510 0.134 0.000 1.076 6 N CA 2.039 55.258 53.050 0.283 0.000 0.908 6 N CB -0.342 38.331 38.487 0.311 0.000 0.967 6 N HN -0.374 8.213 8.380 0.345 0.000 0.449 7 E N 1.157 121.418 120.200 0.101 0.000 2.077 7 E HA -0.259 4.125 4.350 0.056 0.000 0.193 7 E C 2.075 178.709 176.600 0.057 0.000 0.989 7 E CA 3.027 59.463 56.400 0.060 0.000 0.800 7 E CB -0.066 29.655 29.700 0.036 0.000 0.746 7 E HN -0.549 7.843 8.360 0.105 0.030 0.452 8 I N -1.543 119.067 120.570 0.066 0.000 2.333 8 I HA -0.393 3.822 4.170 0.075 0.000 0.246 8 I C 1.652 177.807 176.117 0.064 0.000 1.106 8 I CA 3.297 64.648 61.300 0.085 0.000 1.411 8 I CB 0.276 38.341 38.000 0.108 0.000 1.082 8 I HN -0.879 7.370 8.210 0.066 0.000 0.420 9 L N -1.771 119.477 121.223 0.042 0.000 2.240 9 L HA -0.230 4.030 4.340 -0.133 0.000 0.211 9 L C 2.355 179.192 176.870 -0.055 0.000 1.106 9 L CA 2.288 57.069 54.840 -0.099 0.000 0.793 9 L CB -0.450 41.414 42.059 -0.324 0.000 0.927 9 L HN -0.515 7.764 8.230 0.082 0.000 0.446 10 L N -1.820 119.413 121.223 0.016 0.000 2.093 10 L HA -0.398 4.000 4.340 0.097 0.000 0.208 10 L C 1.771 178.663 176.870 0.037 0.000 1.085 10 L CA 3.144 58.021 54.840 0.063 0.000 0.755 10 L CB -0.597 41.506 42.059 0.072 0.000 0.904 10 L HN 0.072 8.324 8.230 0.037 0.000 0.435 11 K N -0.539 119.859 120.400 -0.003 0.000 2.057 11 K HA -0.382 3.936 4.320 -0.003 0.000 0.206 11 K C 1.777 178.249 176.600 -0.213 0.000 1.050 11 K CA 3.265 59.537 56.287 -0.025 0.000 0.935 11 K CB -0.235 32.298 32.500 0.056 0.000 0.715 11 K HN -0.692 7.564 8.250 0.011 0.000 0.439 12 A N -2.286 120.294 122.820 -0.401 0.000 1.933 12 A HA -0.306 2.825 4.320 -1.982 0.000 0.218 12 A C 1.543 178.823 177.584 -0.507 0.000 1.175 12 A CA 3.039 54.501 52.037 -0.957 0.000 0.628 12 A CB -0.690 17.897 19.000 -0.689 0.000 0.814 12 A HN -0.481 7.515 8.150 -0.257 0.000 0.444 13 H N 0.069 118.955 119.070 -0.306 0.000 2.326 13 H HA -0.269 4.180 4.556 -0.178 0.000 0.301 13 H C 2.064 177.310 175.328 -0.136 0.000 1.081 13 H CA 3.201 59.141 56.048 -0.180 0.000 1.334 13 H CB -0.051 29.647 29.762 -0.106 0.000 1.385 13 H HN -0.226 7.920 8.280 -0.061 0.097 0.504 14 K N -1.449 118.797 120.400 -0.256 0.000 2.097 14 K HA -0.203 3.904 4.320 -0.356 0.000 0.205 14 K C 1.884 178.380 176.600 -0.174 0.000 1.050 14 K CA 2.356 58.496 56.287 -0.244 0.000 0.938 14 K CB 0.189 32.633 32.500 -0.094 0.000 0.718 14 K HN -0.452 7.727 8.250 -0.117 0.000 0.442 15 E N -4.863 115.252 120.200 -0.142 0.000 2.481 15 E HA 0.062 4.406 4.350 -0.009 0.000 0.198 15 E C -0.394 176.205 176.600 -0.002 0.000 1.027 15 E CA -0.471 55.920 56.400 -0.016 0.000 0.900 15 E CB 0.645 30.441 29.700 0.161 0.000 0.993 15 E HN -0.661 7.579 8.360 -0.201 0.000 0.482 16 G N -0.304 108.419 108.800 -0.129 0.000 2.248 16 G HA2 -0.303 3.590 3.960 -0.111 0.000 0.263 16 G HA3 -0.303 3.632 3.960 -0.041 0.000 0.263 16 G C -0.987 173.923 174.900 0.018 0.000 1.082 16 G CA 0.612 45.667 45.100 -0.075 0.000 0.863 16 G HN -0.211 7.945 8.290 -0.224 0.000 0.495 17 Y N -4.830 115.455 120.300 -0.025 0.000 2.662 17 Y HA 0.456 4.991 4.550 -0.025 0.000 0.335 17 Y C -1.948 173.935 175.900 -0.028 0.000 1.066 17 Y CA -3.105 54.980 58.100 -0.024 0.000 1.116 17 Y CB 1.484 39.931 38.460 -0.022 0.000 1.308 17 Y HN -0.805 7.216 8.280 -0.431 0.000 0.502 18 G N -1.895 107.036 108.800 0.220 0.000 2.420 18 G HA2 0.437 4.516 3.960 -0.017 0.000 0.331 18 G HA3 0.437 4.424 3.960 0.044 0.000 0.331 18 G C -2.542 172.447 174.900 0.148 0.000 1.168 18 G CA -1.475 43.674 45.100 0.082 0.000 0.936 18 G HN -0.072 8.380 8.290 0.269 0.000 0.479 19 V N 1.447 121.372 119.914 0.017 0.000 2.409 19 V HA 0.243 4.426 4.120 0.105 0.000 0.291 19 V C -0.502 175.507 176.094 -0.141 0.000 1.020 19 V CA -1.695 60.622 62.300 0.028 0.000 0.848 19 V CB 2.758 34.624 31.823 0.073 0.000 0.990 19 V HN 0.069 8.100 8.190 -0.078 0.112 0.430 20 G N 5.550 114.257 108.800 -0.155 0.000 2.398 20 G HA2 0.050 3.830 3.960 -0.551 0.000 0.246 20 G HA3 0.050 3.565 3.960 -0.743 0.000 0.246 20 G C -2.043 172.362 174.900 -0.827 0.000 1.289 20 G CA -0.478 44.261 45.100 -0.601 0.000 0.869 20 G HN 0.457 8.739 8.290 -0.014 0.000 0.543 21 A N 4.491 126.770 122.820 -0.901 0.000 2.267 21 A HA 0.672 5.010 4.320 -0.257 -0.172 0.315 21 A C -2.221 175.032 177.584 -0.553 0.000 1.297 21 A CA -1.831 49.893 52.037 -0.521 0.000 0.865 21 A CB 2.034 20.786 19.000 -0.413 0.000 1.165 21 A HN 0.081 7.623 8.150 -0.844 0.101 0.513 22 F N 2.869 122.859 119.950 0.066 0.000 2.444 22 F HA 0.699 5.458 4.527 0.046 -0.204 0.342 22 F C -0.133 175.749 175.800 0.137 0.000 1.121 22 F CA -2.104 55.934 58.000 0.064 0.000 0.997 22 F CB 2.517 41.532 39.000 0.024 0.000 1.130 22 F HN 0.136 8.504 8.300 0.113 0.000 0.454 23 N N 2.999 121.868 118.700 0.280 0.000 2.525 23 N HA 0.530 5.688 4.740 0.302 -0.236 0.271 23 N C -0.439 175.253 175.510 0.303 0.000 1.194 23 N CA 0.675 53.875 53.050 0.251 0.000 0.964 23 N CB 1.587 40.139 38.487 0.109 0.000 1.126 23 N HN -0.225 8.294 8.380 0.231 0.000 0.452 24 F N -2.507 117.478 119.950 0.058 0.000 2.599 24 F HA 0.491 4.992 4.527 -0.043 0.000 0.311 24 F C -1.606 174.191 175.800 -0.004 0.000 1.076 24 F CA -2.004 55.999 58.000 0.004 0.000 0.937 24 F CB 3.141 42.159 39.000 0.031 0.000 1.282 24 F HN -0.228 8.250 8.300 0.296 0.000 0.460 25 V N -6.484 113.333 119.914 -0.161 0.000 3.548 25 V HA 0.190 4.102 4.120 -0.347 0.000 0.279 25 V C -1.931 174.163 176.094 -0.001 0.000 1.446 25 V CA -0.397 61.760 62.300 -0.239 0.000 1.023 25 V CB 1.435 33.051 31.823 -0.346 0.000 0.820 25 V HN -0.272 7.891 8.190 -0.046 0.000 0.438 26 N N -3.335 115.446 118.700 0.135 0.000 3.378 26 N HA 0.032 4.946 4.740 0.290 0.000 0.294 26 N C -1.104 174.574 175.510 0.280 0.000 1.544 26 N CA -1.044 52.145 53.050 0.232 0.000 0.872 26 N CB 0.761 39.340 38.487 0.152 0.000 1.670 26 N HN -0.918 7.560 8.380 0.163 0.000 0.551 27 F N 0.313 120.338 119.950 0.125 0.000 2.146 27 F HA -0.139 4.449 4.527 0.103 0.000 0.298 27 F C 1.078 176.928 175.800 0.083 0.000 1.096 27 F CA 3.754 61.812 58.000 0.096 0.000 1.275 27 F CB 0.322 39.363 39.000 0.069 0.000 1.008 27 F HN 0.330 8.855 8.300 0.376 0.000 0.480 28 E N -1.005 119.080 120.200 -0.191 0.000 2.058 28 E HA -0.388 3.713 4.350 -0.416 0.000 0.194 28 E C 2.647 179.136 176.600 -0.186 0.000 0.997 28 E CA 4.078 60.345 56.400 -0.221 0.000 0.801 28 E CB -0.658 29.109 29.700 0.112 0.000 0.746 28 E HN 0.236 8.633 8.360 0.062 0.000 0.450 29 M N -1.424 118.080 119.600 -0.161 0.000 2.086 29 M HA -0.356 4.065 4.480 -0.099 0.000 0.261 29 M C 2.253 178.514 176.300 -0.065 0.000 1.067 29 M CA 4.000 59.237 55.300 -0.106 0.000 1.116 29 M CB 0.087 32.639 32.600 -0.080 0.000 1.348 29 M HN -0.717 7.714 8.290 -0.166 -0.240 0.407 30 L N -0.753 120.427 121.223 -0.072 0.000 2.046 30 L HA -0.419 3.841 4.340 -0.133 0.000 0.208 30 L C 1.643 178.453 176.870 -0.100 0.000 1.077 30 L CA 3.460 58.215 54.840 -0.141 0.000 0.747 30 L CB -0.365 41.538 42.059 -0.259 0.000 0.896 30 L HN -0.542 7.670 8.230 -0.029 0.000 0.432 31 N N -1.197 117.305 118.700 -0.330 0.000 2.120 31 N HA -0.388 4.268 4.740 -0.141 0.000 0.188 31 N C 1.658 177.112 175.510 -0.094 0.000 1.024 31 N CA 3.099 55.983 53.050 -0.278 0.000 0.852 31 N CB -0.175 37.916 38.487 -0.661 0.000 1.003 31 N HN 0.056 8.110 8.380 -0.542 0.000 0.424 32 A N -0.423 122.329 122.820 -0.114 0.000 1.898 32 A HA -0.271 4.018 4.320 -0.052 0.000 0.216 32 A C 2.180 179.699 177.584 -0.109 0.000 1.181 32 A CA 3.061 55.057 52.037 -0.068 0.000 0.620 32 A CB -0.435 18.552 19.000 -0.021 0.000 0.819 32 A HN -0.656 7.404 8.150 -0.150 0.000 0.442 33 I N -1.494 119.002 120.570 -0.123 0.000 2.179 33 I HA -0.566 3.396 4.170 -0.346 0.000 0.242 33 I C 1.779 177.752 176.117 -0.239 0.000 1.088 33 I CA 4.359 65.519 61.300 -0.234 0.000 1.357 33 I CB -0.105 37.781 38.000 -0.190 0.000 1.051 33 I HN -0.565 7.590 8.210 -0.091 0.000 0.409 34 F N -0.497 119.312 119.950 -0.235 0.000 2.146 34 F HA -0.472 3.882 4.527 -0.289 0.000 0.298 34 F C 2.199 177.733 175.800 -0.443 0.000 1.096 34 F CA 4.773 62.595 58.000 -0.296 0.000 1.275 34 F CB -0.170 38.718 39.000 -0.185 0.000 1.008 34 F HN -0.463 7.948 8.300 0.185 0.000 0.480 35 E N -1.397 118.720 120.200 -0.139 0.000 2.110 35 E HA -0.490 3.674 4.350 -0.310 0.000 0.193 35 E C 1.871 178.357 176.600 -0.190 0.000 0.988 35 E CA 2.955 59.244 56.400 -0.185 0.000 0.804 35 E CB -0.331 29.344 29.700 -0.041 0.000 0.745 35 E HN -0.124 8.210 8.360 -0.044 0.000 0.458 36 A N -0.395 122.311 122.820 -0.189 0.000 1.877 36 A HA -0.239 3.991 4.320 -0.151 0.000 0.216 36 A C 1.925 179.387 177.584 -0.203 0.000 1.186 36 A CA 3.042 54.964 52.037 -0.192 0.000 0.620 36 A CB -0.684 18.167 19.000 -0.249 0.000 0.822 36 A HN -0.358 7.680 8.150 -0.187 0.000 0.443 37 G N -2.199 106.443 108.800 -0.262 0.000 2.422 37 G HA2 -0.430 3.416 3.960 -0.191 0.000 0.218 37 G HA3 -0.430 3.348 3.960 -0.304 0.000 0.218 37 G C 1.328 176.100 174.900 -0.214 0.000 1.146 37 G CA 1.826 46.778 45.100 -0.246 0.000 0.769 37 G HN -0.210 7.898 8.290 -0.304 0.000 0.547 38 N N 1.828 120.358 118.700 -0.283 0.000 2.142 38 N HA -0.220 4.465 4.740 -0.091 0.000 0.186 38 N C 2.879 178.357 175.510 -0.054 0.000 1.023 38 N CA 2.605 55.548 53.050 -0.179 0.000 0.852 38 N CB 0.201 38.467 38.487 -0.367 0.000 0.998 38 N HN -0.189 7.970 8.380 -0.368 0.000 0.424 39 E N -0.854 119.296 120.200 -0.084 0.000 2.152 39 E HA -0.165 4.173 4.350 -0.021 0.000 0.192 39 E C 1.286 177.857 176.600 -0.047 0.000 0.983 39 E CA 2.102 58.474 56.400 -0.046 0.000 0.818 39 E CB 0.209 29.878 29.700 -0.052 0.000 0.758 39 E HN -0.387 7.900 8.360 -0.122 0.000 0.467 40 E N -4.085 116.073 120.200 -0.069 0.000 2.479 40 E HA 0.115 4.430 4.350 -0.059 0.000 0.193 40 E C -0.729 175.837 176.600 -0.058 0.000 1.049 40 E CA -1.316 55.045 56.400 -0.066 0.000 0.870 40 E CB 0.422 30.074 29.700 -0.080 0.000 0.944 40 E HN -0.331 7.975 8.360 -0.090 0.000 0.492 41 N N -1.882 116.795 118.700 -0.038 0.000 2.705 41 N HA -0.426 4.326 4.740 0.021 0.000 0.255 41 N C -2.242 173.240 175.510 -0.047 0.000 1.008 41 N CA 1.489 54.530 53.050 -0.014 0.000 0.742 41 N CB -1.933 36.552 38.487 -0.004 0.000 0.906 41 N HN -0.250 7.946 8.380 -0.033 0.164 0.541 42 S N -1.196 114.462 115.700 -0.070 0.000 2.513 42 S HA 0.741 5.292 4.470 -0.082 -0.131 0.299 42 S C -2.552 172.005 174.600 -0.072 0.000 1.087 42 S CA -3.426 54.729 58.200 -0.074 0.000 1.012 42 S CB 2.550 65.710 63.200 -0.066 0.000 1.044 42 S HN -0.615 7.646 8.310 -0.083 0.000 0.485 43 P HA 0.056 4.550 4.420 -0.071 -0.116 0.272 43 P C -1.854 175.435 177.300 -0.018 0.000 1.230 43 P CA -0.302 62.781 63.100 -0.028 0.000 0.788 43 P CB 0.977 32.706 31.700 0.048 0.000 0.949 44 L N -2.556 118.624 121.223 -0.072 0.000 2.408 44 L HA 0.249 4.624 4.340 0.058 0.000 0.268 44 L C -1.264 175.583 176.870 -0.039 0.000 0.986 44 L CA -0.932 53.873 54.840 -0.058 0.000 0.820 44 L CB 4.244 46.122 42.059 -0.301 0.000 1.303 44 L HN -0.087 8.073 8.230 -0.116 0.000 0.411 45 F N 2.670 122.572 119.950 -0.081 0.000 2.415 45 F HA 0.379 5.006 4.527 -0.062 -0.138 0.348 45 F C -1.088 174.705 175.800 -0.011 0.000 1.119 45 F CA -0.351 57.601 58.000 -0.080 0.000 1.069 45 F CB 2.778 41.677 39.000 -0.168 0.000 1.124 45 F HN -0.243 8.211 8.300 0.258 0.000 0.472 46 I N 5.211 125.845 120.570 0.105 0.000 2.378 46 I HA 0.550 4.989 4.170 0.217 -0.139 0.291 46 I C -2.494 173.822 176.117 0.333 0.000 0.992 46 I CA -2.659 58.741 61.300 0.166 0.000 1.154 46 I CB 3.372 41.366 38.000 -0.009 0.000 1.315 46 I HN 0.619 8.827 8.210 -0.002 0.000 0.448 47 Q N 8.054 128.117 119.800 0.438 0.000 2.345 47 Q HA 0.871 5.711 4.340 0.501 -0.199 0.268 47 Q C -1.739 174.508 176.000 0.412 0.000 1.054 47 Q CA -2.336 53.738 55.803 0.452 0.000 0.835 47 Q CB 4.287 33.237 28.738 0.354 0.000 1.339 47 Q HN 0.390 8.925 8.270 0.442 0.000 0.447 48 A N 2.089 125.113 122.820 0.340 0.000 2.374 48 A HA 0.693 4.974 4.320 -0.065 0.000 0.305 48 A C -1.467 176.181 177.584 0.107 0.000 1.053 48 A CA -1.275 50.827 52.037 0.107 0.000 0.726 48 A CB 3.007 22.069 19.000 0.103 0.000 1.229 48 A HN 0.373 8.775 8.150 0.420 0.000 0.431 49 S N 4.095 119.807 115.700 0.021 0.000 2.645 49 S HA 0.347 5.030 4.470 0.060 -0.177 0.266 49 S C 1.161 175.756 174.600 -0.009 0.000 1.258 49 S CA -1.501 56.714 58.200 0.025 0.000 0.990 49 S CB 1.824 65.025 63.200 0.003 0.000 0.967 49 S HN 0.234 8.525 8.310 -0.031 0.000 0.556 50 E N 1.147 121.338 120.200 -0.013 0.000 2.110 50 E HA -0.424 3.899 4.350 -0.045 0.000 0.193 50 E C 2.644 179.232 176.600 -0.019 0.000 0.988 50 E CA 3.470 59.853 56.400 -0.030 0.000 0.804 50 E CB -0.300 29.383 29.700 -0.028 0.000 0.745 50 E HN 0.779 9.140 8.360 0.001 0.000 0.458 51 G N -1.264 107.522 108.800 -0.023 0.000 2.418 51 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.217 51 G HA3 -0.199 3.741 3.960 -0.034 0.000 0.217 51 G C 0.824 175.719 174.900 -0.008 0.000 1.158 51 G CA 1.434 46.523 45.100 -0.019 0.000 0.771 51 G HN 0.062 8.333 8.290 -0.027 0.002 0.545 52 A N 1.793 124.585 122.820 -0.048 0.000 1.898 52 A HA -0.301 3.983 4.320 -0.061 0.000 0.216 52 A C 1.756 179.338 177.584 -0.003 0.000 1.181 52 A CA 2.700 54.694 52.037 -0.071 0.000 0.620 52 A CB -0.364 18.517 19.000 -0.198 0.000 0.819 52 A HN -0.506 7.608 8.150 -0.060 0.000 0.442 53 I N -1.437 119.130 120.570 -0.006 0.000 2.286 53 I HA -0.580 3.616 4.170 0.043 0.000 0.248 53 I C 1.647 177.787 176.117 0.039 0.000 1.115 53 I CA 4.039 65.357 61.300 0.030 0.000 1.392 53 I CB -0.263 37.751 38.000 0.023 0.000 1.065 53 I HN -0.093 8.107 8.210 -0.017 0.000 0.418 54 K N -0.015 120.407 120.400 0.037 0.000 2.097 54 K HA -0.363 3.970 4.320 0.021 0.000 0.206 54 K C 1.631 178.269 176.600 0.064 0.000 1.049 54 K CA 2.980 59.291 56.287 0.039 0.000 0.933 54 K CB -0.336 32.185 32.500 0.035 0.000 0.717 54 K HN -0.448 7.819 8.250 0.029 0.000 0.442 55 Y N -1.693 118.585 120.300 -0.038 0.000 2.163 55 Y HA -0.265 4.269 4.550 -0.026 0.000 0.288 55 Y C 1.227 177.112 175.900 -0.025 0.000 1.136 55 Y CA 2.585 60.664 58.100 -0.035 0.000 1.147 55 Y CB 0.686 39.114 38.460 -0.054 0.000 0.987 55 Y HN -0.568 7.741 8.280 0.200 0.092 0.509 56 M N -3.913 115.717 119.600 0.050 0.000 2.334 56 M HA -0.043 4.379 4.480 -0.098 0.000 0.266 56 M C 0.230 176.517 176.300 -0.022 0.000 1.082 56 M CA 1.820 57.114 55.300 -0.010 0.000 1.141 56 M CB 1.345 33.994 32.600 0.081 0.000 1.380 56 M HN -0.366 8.007 8.290 0.138 0.000 0.440 57 G N -1.814 106.988 108.800 0.004 0.000 3.019 57 G HA2 -0.221 3.761 3.960 0.014 0.000 0.686 57 G HA3 -0.221 3.824 3.960 0.007 -0.081 0.686 57 G C -1.085 173.852 174.900 0.062 0.000 1.056 57 G CA -0.619 44.492 45.100 0.019 0.000 0.774 57 G HN -0.391 7.907 8.290 0.013 0.000 0.583 58 I N 1.954 122.569 120.570 0.074 0.000 2.493 58 I HA -0.338 3.939 4.170 0.179 0.000 0.254 58 I C 0.190 176.392 176.117 0.141 0.000 1.160 58 I CA 2.217 63.599 61.300 0.137 0.000 1.445 58 I CB -0.052 38.020 38.000 0.120 0.000 1.086 58 I HN 0.399 8.642 8.210 0.054 0.000 0.433 59 D N -1.515 118.938 120.400 0.088 0.000 2.144 59 D HA -0.296 4.392 4.640 0.079 0.000 0.199 59 D C 1.965 178.309 176.300 0.073 0.000 0.984 59 D CA 3.109 57.152 54.000 0.072 0.000 0.834 59 D CB -1.270 39.556 40.800 0.044 0.000 0.955 59 D HN 0.352 8.749 8.370 0.068 0.014 0.465 60 M N 0.417 120.062 119.600 0.074 0.000 2.193 60 M HA -0.155 4.365 4.480 0.067 0.000 0.265 60 M C 1.365 177.750 176.300 0.141 0.000 1.071 60 M CA 1.844 57.194 55.300 0.083 0.000 1.140 60 M CB -0.301 32.337 32.600 0.063 0.000 1.369 60 M HN -0.862 7.468 8.290 0.067 0.000 0.423 61 A N 0.236 123.161 122.820 0.174 0.000 1.865 61 A HA -0.227 4.325 4.320 0.388 0.000 0.217 61 A C 2.174 179.898 177.584 0.233 0.000 1.191 61 A CA 3.050 55.255 52.037 0.279 0.000 0.623 61 A CB -0.763 18.383 19.000 0.243 0.000 0.826 61 A HN -0.171 8.069 8.150 0.150 0.000 0.444 62 V N -2.624 117.366 119.914 0.126 0.000 2.358 62 V HA -0.524 3.547 4.120 -0.082 0.000 0.246 62 V C 1.899 178.003 176.094 0.016 0.000 1.047 62 V CA 3.892 66.198 62.300 0.010 0.000 1.035 62 V CB -0.239 31.603 31.823 0.032 0.000 0.658 62 V HN -0.373 7.908 8.190 0.153 0.000 0.452 63 G N -1.070 107.756 108.800 0.043 0.000 2.440 63 G HA2 -0.378 3.586 3.960 0.007 0.000 0.218 63 G HA3 -0.378 3.664 3.960 0.027 -0.066 0.218 63 G C 1.182 176.086 174.900 0.006 0.000 1.154 63 G CA 2.181 47.293 45.100 0.021 0.000 0.767 63 G HN -0.415 7.914 8.290 0.064 0.000 0.552 64 M N 1.518 121.141 119.600 0.039 0.000 2.117 64 M HA -0.417 4.067 4.480 0.008 0.000 0.262 64 M C 2.129 178.382 176.300 -0.078 0.000 1.065 64 M CA 4.101 59.414 55.300 0.022 0.000 1.114 64 M CB 0.091 32.765 32.600 0.123 0.000 1.361 64 M HN -0.230 8.108 8.290 0.080 0.000 0.408 65 V N 0.144 120.009 119.914 -0.081 0.000 2.343 65 V HA -0.620 3.365 4.120 -0.225 0.000 0.247 65 V C 1.700 177.716 176.094 -0.130 0.000 1.051 65 V CA 4.537 66.753 62.300 -0.141 0.000 1.036 65 V CB -0.553 31.214 31.823 -0.093 0.000 0.654 65 V HN -0.592 7.587 8.190 -0.019 0.000 0.451 66 K N -0.471 119.880 120.400 -0.081 0.000 2.097 66 K HA -0.341 3.948 4.320 -0.052 0.000 0.206 66 K C 2.653 179.197 176.600 -0.094 0.000 1.049 66 K CA 3.473 59.721 56.287 -0.066 0.000 0.933 66 K CB -0.249 32.227 32.500 -0.040 0.000 0.717 66 K HN -0.477 7.736 8.250 -0.062 0.000 0.442 67 I N 0.264 120.769 120.570 -0.108 0.000 2.315 67 I HA -0.384 3.878 4.170 -0.097 -0.151 0.248 67 I C 2.286 178.286 176.117 -0.196 0.000 1.117 67 I CA 3.578 64.806 61.300 -0.119 0.000 1.404 67 I CB 0.121 38.066 38.000 -0.092 0.000 1.071 67 I HN -0.549 7.604 8.210 -0.096 0.000 0.419 68 M N -0.644 118.757 119.600 -0.332 0.000 2.175 68 M HA -0.349 3.858 4.480 -0.455 0.000 0.264 68 M C 2.232 178.255 176.300 -0.462 0.000 1.063 68 M CA 1.885 56.811 55.300 -0.624 0.000 1.119 68 M CB -1.405 30.347 32.600 -1.413 0.000 1.377 68 M HN -0.392 7.702 8.290 -0.327 0.000 0.415 69 C N -0.523 118.637 119.300 -0.234 0.000 2.435 69 C HA -0.369 4.209 4.460 0.195 0.000 0.279 69 C C 1.685 176.676 174.990 0.001 0.000 1.321 69 C CA 4.444 63.482 59.018 0.032 0.000 1.752 69 C CB -1.037 26.740 27.740 0.063 0.000 1.959 69 C HN 0.055 8.147 8.230 -0.230 0.000 0.500 70 E N -1.136 119.027 120.200 -0.061 0.000 2.150 70 E HA -0.313 4.021 4.350 -0.027 0.000 0.193 70 E C 1.752 178.296 176.600 -0.094 0.000 0.985 70 E CA 2.431 58.797 56.400 -0.057 0.000 0.814 70 E CB -0.360 29.301 29.700 -0.065 0.000 0.752 70 E HN -0.608 7.699 8.360 -0.089 0.000 0.466 71 R N -1.710 118.683 120.500 -0.180 0.000 2.092 71 R HA -0.163 3.999 4.340 -0.297 0.000 0.231 71 R C 0.586 176.607 176.300 -0.465 0.000 1.119 71 R CA 2.263 58.147 56.100 -0.361 0.000 0.970 71 R CB 0.947 30.947 30.300 -0.499 0.000 0.864 71 R HN -0.752 7.310 8.270 -0.188 0.095 0.440 72 Y N -3.581 116.734 120.300 0.024 0.000 2.562 72 Y HA 0.471 5.113 4.550 0.154 0.000 0.363 72 Y C -1.789 174.088 175.900 -0.038 0.000 0.991 72 Y CA -3.232 54.893 58.100 0.042 0.000 1.121 72 Y CB -0.488 37.991 38.460 0.032 0.000 1.159 72 Y HN -0.554 7.742 8.280 0.027 0.000 0.651 73 P HA -0.114 4.480 4.420 0.081 -0.125 0.221 73 P C -0.582 176.784 177.300 0.111 0.000 1.145 73 P CA 1.361 64.531 63.100 0.117 0.000 0.795 73 P CB 0.084 31.854 31.700 0.115 0.000 0.775 74 H N -7.089 112.045 119.070 0.106 0.000 2.548 74 H HA 0.020 4.609 4.556 0.056 0.000 0.268 74 H C -0.591 174.775 175.328 0.064 0.000 0.975 74 H CA -0.759 55.334 56.048 0.074 0.000 1.195 74 H CB -0.365 29.437 29.762 0.068 0.000 1.397 74 H HN -0.047 8.339 8.280 0.255 0.047 0.572 75 I N 3.887 124.248 120.570 -0.348 0.000 2.352 75 I HA 0.203 4.262 4.170 -0.184 0.000 0.290 75 I C -2.508 173.547 176.117 -0.104 0.000 1.036 75 I CA -2.377 58.783 61.300 -0.233 0.000 1.336 75 I CB -0.209 37.614 38.000 -0.295 0.000 1.407 75 I HN -0.724 7.195 8.210 -0.421 0.039 0.497 76 P HA 0.026 4.545 4.420 -0.047 -0.126 0.271 76 P C -1.517 175.712 177.300 -0.119 0.000 1.226 76 P CA -0.389 62.673 63.100 -0.063 0.000 0.765 76 P CB 0.392 32.074 31.700 -0.029 0.000 0.835 77 V N 4.735 124.570 119.914 -0.132 0.000 2.686 77 V HA 0.683 4.878 4.120 -0.255 -0.228 0.306 77 V C -1.924 174.019 176.094 -0.253 0.000 1.065 77 V CA -1.807 60.371 62.300 -0.202 0.000 0.894 77 V CB 4.316 36.065 31.823 -0.124 0.000 1.004 77 V HN -0.056 8.074 8.190 -0.099 0.000 0.424 78 A N 7.026 129.562 122.820 -0.474 0.000 2.304 78 A HA 0.668 4.931 4.320 -0.327 -0.140 0.323 78 A C -2.604 174.772 177.584 -0.345 0.000 1.195 78 A CA -2.197 49.516 52.037 -0.540 0.000 0.826 78 A CB 2.866 21.164 19.000 -1.170 0.000 1.184 78 A HN 0.388 8.179 8.150 -0.599 0.000 0.496 79 L N 4.939 126.072 121.223 -0.151 0.000 2.257 79 L HA 0.639 5.126 4.340 -0.038 -0.169 0.290 79 L C -1.734 175.221 176.870 0.141 0.000 1.044 79 L CA -1.228 53.558 54.840 -0.090 0.000 0.810 79 L CB 1.897 43.780 42.059 -0.294 0.000 1.193 79 L HN -0.201 7.952 8.230 -0.129 0.000 0.425 80 H N 8.651 127.870 119.070 0.248 0.000 2.547 80 H HA 0.605 5.691 4.556 0.479 -0.243 0.342 80 H C -1.871 173.803 175.328 0.576 0.000 1.048 80 H CA -2.172 54.152 56.048 0.461 0.000 1.204 80 H CB 3.840 33.900 29.762 0.496 0.000 1.493 80 H HN 0.670 9.186 8.280 0.394 0.000 0.511 81 L N 8.157 129.387 121.223 0.011 0.000 2.385 81 L HA 0.293 4.807 4.340 0.043 -0.149 0.281 81 L C -1.875 174.808 176.870 -0.312 0.000 1.106 81 L CA -0.596 54.134 54.840 -0.182 0.000 0.856 81 L CB 0.984 42.776 42.059 -0.446 0.000 1.186 81 L HN 0.107 8.301 8.230 -0.059 0.000 0.453 82 D N 8.623 129.019 120.400 -0.006 0.000 2.277 82 D HA 0.159 4.867 4.640 0.113 0.000 0.249 82 D C -0.191 176.180 176.300 0.118 0.000 1.134 82 D CA -0.899 53.164 54.000 0.104 0.000 0.863 82 D CB 0.774 41.705 40.800 0.218 0.000 1.143 82 D HN -0.050 8.369 8.370 0.081 0.000 0.458 83 H N 2.486 121.624 119.070 0.112 0.000 2.592 83 H HA -0.437 4.172 4.556 0.089 0.000 0.323 83 H C -0.564 174.765 175.328 0.001 0.000 1.117 83 H CA 1.164 57.254 56.048 0.071 0.000 1.120 83 H CB -2.715 27.089 29.762 0.071 0.000 1.561 83 H HN 0.033 8.221 8.280 -0.154 0.000 0.409 84 G N -2.752 106.060 108.800 0.020 0.000 2.398 84 G HA2 0.018 4.144 3.960 -0.038 0.000 0.246 84 G HA3 0.018 4.015 3.960 -0.077 -0.082 0.246 84 G C -0.722 174.191 174.900 0.021 0.000 1.289 84 G CA -0.011 45.072 45.100 -0.027 0.000 0.869 84 G HN -0.492 7.782 8.290 -0.027 0.000 0.543 85 T N -1.201 113.367 114.554 0.023 0.000 2.990 85 T HA 0.318 4.725 4.350 0.096 0.000 0.250 85 T C 0.340 175.077 174.700 0.061 0.000 1.041 85 T CA -0.590 61.550 62.100 0.065 0.000 1.010 85 T CB 1.624 70.530 68.868 0.063 0.000 1.003 85 T HN 0.268 8.778 8.240 0.001 -0.269 0.499 86 T N -3.183 111.390 114.554 0.031 0.000 2.865 86 T HA 0.284 4.681 4.350 0.078 0.000 0.294 86 T C -0.299 174.434 174.700 0.055 0.000 1.119 86 T CA -2.393 59.743 62.100 0.060 0.000 1.007 86 T CB 2.963 71.872 68.868 0.068 0.000 1.225 86 T HN -0.876 7.366 8.240 0.004 0.000 0.515 87 F N 2.491 122.420 119.950 -0.036 0.000 2.186 87 F HA -0.280 4.214 4.527 -0.055 0.000 0.299 87 F C 0.757 176.531 175.800 -0.044 0.000 1.090 87 F CA 3.866 61.839 58.000 -0.045 0.000 1.307 87 F CB 0.280 39.256 39.000 -0.041 0.000 1.019 87 F HN 0.543 9.001 8.300 0.263 0.000 0.489 88 E N -0.111 120.129 120.200 0.068 0.000 2.106 88 E HA -0.334 3.968 4.350 -0.079 0.000 0.192 88 E C 2.573 179.082 176.600 -0.151 0.000 0.984 88 E CA 3.221 59.600 56.400 -0.035 0.000 0.806 88 E CB -0.779 28.961 29.700 0.067 0.000 0.750 88 E HN 0.343 8.815 8.360 0.186 0.000 0.458 89 S N 0.156 115.783 115.700 -0.122 0.000 2.355 89 S HA -0.266 4.122 4.470 -0.138 0.000 0.222 89 S C 1.949 176.406 174.600 -0.237 0.000 1.031 89 S CA 3.105 61.215 58.200 -0.151 0.000 0.993 89 S CB -0.062 63.074 63.200 -0.106 0.000 0.859 89 S HN -0.411 7.854 8.310 -0.075 0.000 0.453 90 C N 1.172 120.312 119.300 -0.267 0.000 2.429 90 C HA -0.397 3.888 4.460 -0.291 0.000 0.277 90 C C 1.450 176.229 174.990 -0.351 0.000 1.262 90 C CA 5.047 63.881 59.018 -0.308 0.000 1.733 90 C CB -0.601 26.969 27.740 -0.284 0.000 2.010 90 C HN -0.489 7.597 8.230 -0.241 0.000 0.483 91 E N 0.905 120.821 120.200 -0.472 0.000 2.110 91 E HA -0.339 3.779 4.350 -0.385 0.000 0.193 91 E C 2.111 178.576 176.600 -0.225 0.000 0.988 91 E CA 2.954 59.106 56.400 -0.414 0.000 0.804 91 E CB -0.282 29.088 29.700 -0.549 0.000 0.745 91 E HN -0.209 7.809 8.360 -0.569 0.000 0.458 92 K N -1.309 118.971 120.400 -0.200 0.000 2.057 92 K HA -0.272 3.994 4.320 -0.091 0.000 0.206 92 K C 2.353 178.870 176.600 -0.138 0.000 1.050 92 K CA 2.837 59.046 56.287 -0.130 0.000 0.935 92 K CB -0.125 32.307 32.500 -0.113 0.000 0.715 92 K HN -0.368 7.750 8.250 -0.220 0.000 0.439 93 A N -0.152 122.510 122.820 -0.264 0.000 1.883 93 A HA -0.240 3.806 4.320 -0.456 0.000 0.217 93 A C 2.059 179.599 177.584 -0.074 0.000 1.186 93 A CA 3.092 54.881 52.037 -0.413 0.000 0.624 93 A CB -0.869 17.651 19.000 -0.800 0.000 0.822 93 A HN -0.473 7.497 8.150 -0.301 0.000 0.444 94 V N -1.923 117.943 119.914 -0.081 0.000 2.287 94 V HA -0.586 3.575 4.120 0.069 0.000 0.248 94 V C 2.016 178.134 176.094 0.041 0.000 1.053 94 V CA 3.791 66.096 62.300 0.008 0.000 1.027 94 V CB -0.062 31.734 31.823 -0.045 0.000 0.646 94 V HN -0.316 7.783 8.190 -0.151 0.000 0.447 95 K N -2.570 117.833 120.400 0.006 0.000 2.211 95 K HA -0.248 4.088 4.320 0.027 0.000 0.203 95 K C 1.377 178.012 176.600 0.058 0.000 1.050 95 K CA 2.202 58.503 56.287 0.023 0.000 0.945 95 K CB -0.155 32.345 32.500 0.001 0.000 0.732 95 K HN -0.563 7.668 8.250 -0.032 0.000 0.451 96 A N -3.502 119.374 122.820 0.094 0.000 2.067 96 A HA 0.009 4.390 4.320 0.102 0.000 0.217 96 A C 0.355 178.041 177.584 0.169 0.000 1.156 96 A CA 1.016 53.139 52.037 0.144 0.000 0.683 96 A CB 0.607 19.731 19.000 0.206 0.000 0.808 96 A HN -0.432 7.654 8.150 0.085 0.115 0.455 97 G N -3.583 105.334 108.800 0.195 0.000 2.173 97 G HA2 -0.170 3.852 3.960 0.104 0.000 0.142 97 G HA3 -0.170 3.843 3.960 0.088 0.000 0.142 97 G C -0.395 174.590 174.900 0.141 0.000 1.019 97 G CA -0.576 44.603 45.100 0.133 0.000 0.699 97 G HN -0.654 7.741 8.290 0.212 0.022 0.495 98 F N 0.863 120.833 119.950 0.033 0.000 2.553 98 F HA -0.224 4.340 4.527 0.061 0.000 0.356 98 F C 0.606 176.432 175.800 0.044 0.000 1.142 98 F CA 1.608 59.634 58.000 0.044 0.000 1.322 98 F CB 0.669 39.686 39.000 0.029 0.000 1.126 98 F HN -0.721 7.952 8.300 0.621 0.000 0.599 99 T N -3.196 111.467 114.554 0.183 0.000 3.044 99 T HA 0.122 4.548 4.350 0.127 0.000 0.260 99 T C -0.267 174.555 174.700 0.204 0.000 1.019 99 T CA -0.422 61.758 62.100 0.135 0.000 0.921 99 T CB 0.831 69.724 68.868 0.042 0.000 1.053 99 T HN 0.285 8.612 8.240 0.145 0.000 0.533 100 S N 0.575 116.459 115.700 0.307 0.000 2.548 100 S HA 0.689 5.578 4.470 0.353 -0.207 0.278 100 S C -2.403 172.371 174.600 0.291 0.000 1.150 100 S CA -0.332 58.126 58.200 0.430 0.000 0.907 100 S CB 1.889 65.550 63.200 0.768 0.000 1.108 100 S HN -0.721 7.795 8.310 0.343 0.000 0.459 101 V N -0.312 119.678 119.914 0.126 0.000 2.789 101 V HA 0.498 4.417 4.120 -0.336 0.000 0.311 101 V C -2.615 173.431 176.094 -0.081 0.000 1.073 101 V CA -2.535 59.684 62.300 -0.135 0.000 0.921 101 V CB 3.855 35.598 31.823 -0.132 0.000 1.009 101 V HN 0.516 8.801 8.190 0.158 0.000 0.426 102 M N 4.869 124.357 119.600 -0.186 0.000 2.157 102 M HA 0.593 5.309 4.480 0.057 -0.203 0.354 102 M C -1.895 174.375 176.300 -0.051 0.000 1.170 102 M CA -0.959 54.334 55.300 -0.012 0.000 1.060 102 M CB 2.798 35.434 32.600 0.061 0.000 1.615 102 M HN 0.089 8.163 8.290 -0.361 0.000 0.460 103 I N 7.384 127.936 120.570 -0.029 0.000 2.307 103 I HA 0.221 4.499 4.170 -0.032 -0.127 0.289 103 I C -2.892 173.219 176.117 -0.010 0.000 1.021 103 I CA -1.625 59.659 61.300 -0.027 0.000 1.224 103 I CB 1.725 39.706 38.000 -0.031 0.000 1.376 103 I HN 0.448 8.647 8.210 -0.019 0.000 0.470 104 D N 9.919 130.330 120.400 0.018 0.000 2.485 104 D HA 0.163 4.812 4.640 0.015 0.000 0.229 104 D C -1.745 174.594 176.300 0.065 0.000 1.101 104 D CA -1.411 52.622 54.000 0.056 0.000 0.906 104 D CB 0.874 41.776 40.800 0.169 0.000 1.019 104 D HN 0.398 8.787 8.370 0.031 0.000 0.516 105 A N 5.873 128.634 122.820 -0.099 0.000 2.855 105 A HA 0.363 4.393 4.320 -0.483 0.000 0.301 105 A C 0.113 177.498 177.584 -0.333 0.000 1.076 105 A CA -0.974 50.806 52.037 -0.427 0.000 1.004 105 A CB -0.418 18.171 19.000 -0.685 0.000 1.152 105 A HN 0.064 8.152 8.150 -0.105 0.000 0.531 106 S N 1.036 116.702 115.700 -0.057 0.000 2.489 106 S HA -0.216 4.190 4.470 -0.107 0.000 0.228 106 S C 0.488 175.119 174.600 0.052 0.000 0.995 106 S CA 1.950 60.129 58.200 -0.035 0.000 0.934 106 S CB 0.480 63.667 63.200 -0.022 0.000 0.771 106 S HN -0.687 7.844 8.310 0.067 -0.180 0.522 107 H N -2.264 116.857 119.070 0.086 0.000 2.524 107 H HA 0.001 4.596 4.556 0.064 0.000 0.282 107 H C -0.186 175.250 175.328 0.179 0.000 1.016 107 H CA 0.167 56.286 56.048 0.119 0.000 1.270 107 H CB -0.509 29.323 29.762 0.117 0.000 1.394 107 H HN 0.155 8.607 8.280 0.337 0.030 0.568 108 H N 1.177 120.036 119.070 -0.353 0.000 2.603 108 H HA -0.066 4.396 4.556 -0.158 0.000 0.370 108 H C -0.793 174.490 175.328 -0.075 0.000 1.225 108 H CA -0.352 55.570 56.048 -0.210 0.000 1.410 108 H CB 1.425 31.038 29.762 -0.248 0.000 1.495 108 H HN -0.870 7.180 8.280 -0.137 0.147 0.602 109 A N 0.725 123.595 122.820 0.083 0.000 2.386 109 A HA -0.035 4.348 4.320 0.105 0.000 0.248 109 A C 0.343 178.019 177.584 0.153 0.000 1.082 109 A CA -0.470 51.630 52.037 0.105 0.000 0.789 109 A CB 1.261 20.310 19.000 0.082 0.000 1.025 109 A HN 0.387 8.564 8.150 0.045 0.000 0.490 110 F N 0.962 120.940 119.950 0.047 0.000 2.141 110 F HA -0.512 4.062 4.527 0.078 0.000 0.300 110 F C 0.824 176.691 175.800 0.112 0.000 1.079 110 F CA 3.917 61.963 58.000 0.077 0.000 1.264 110 F CB 0.440 39.479 39.000 0.065 0.000 1.011 110 F HN 0.755 9.247 8.300 0.319 0.000 0.487 111 E N -3.350 116.998 120.200 0.247 0.000 2.046 111 E HA -0.425 4.037 4.350 0.186 0.000 0.190 111 E C 2.419 179.037 176.600 0.029 0.000 0.982 111 E CA 2.684 59.177 56.400 0.155 0.000 0.800 111 E CB -1.167 28.628 29.700 0.158 0.000 0.756 111 E HN 0.461 8.951 8.360 0.269 0.032 0.449 112 E N 0.891 121.124 120.200 0.054 0.000 2.107 112 E HA -0.322 4.046 4.350 0.031 0.000 0.191 112 E C 1.890 178.490 176.600 0.000 0.000 0.982 112 E CA 2.457 58.892 56.400 0.059 0.000 0.809 112 E CB -0.028 29.768 29.700 0.160 0.000 0.756 112 E HN -0.610 7.798 8.360 0.081 0.000 0.459 113 N N 0.494 119.181 118.700 -0.021 0.000 2.036 113 N HA -0.304 4.340 4.740 -0.159 0.000 0.195 113 N C 1.898 177.403 175.510 -0.008 0.000 1.037 113 N CA 3.149 56.161 53.050 -0.064 0.000 0.855 113 N CB -0.249 38.200 38.487 -0.063 0.000 1.033 113 N HN -0.639 7.750 8.380 0.015 0.000 0.423 114 L N -0.832 120.326 121.223 -0.108 0.000 2.083 114 L HA -0.275 3.705 4.340 -0.599 0.000 0.209 114 L C 1.524 178.237 176.870 -0.262 0.000 1.083 114 L CA 3.213 57.839 54.840 -0.356 0.000 0.752 114 L CB -0.148 41.636 42.059 -0.459 0.000 0.899 114 L HN -0.501 7.624 8.230 -0.176 0.000 0.433 115 E N -0.438 119.674 120.200 -0.147 0.000 2.046 115 E HA -0.327 3.947 4.350 -0.126 0.000 0.190 115 E C 2.298 178.834 176.600 -0.108 0.000 0.982 115 E CA 3.147 59.479 56.400 -0.113 0.000 0.800 115 E CB 0.166 29.826 29.700 -0.065 0.000 0.756 115 E HN -0.687 7.508 8.360 -0.112 0.098 0.449 116 L N -0.586 120.582 121.223 -0.090 0.000 2.017 116 L HA -0.280 4.028 4.340 -0.054 0.000 0.208 116 L C 1.842 178.676 176.870 -0.059 0.000 1.073 116 L CA 3.103 57.902 54.840 -0.069 0.000 0.745 116 L CB -0.135 41.864 42.059 -0.099 0.000 0.894 116 L HN 0.051 8.229 8.230 -0.086 0.000 0.432 117 T N 1.762 116.265 114.554 -0.085 0.000 2.665 117 T HA -0.531 3.790 4.350 -0.048 0.000 0.268 117 T C 1.944 176.555 174.700 -0.147 0.000 1.035 117 T CA 5.628 67.676 62.100 -0.087 0.000 1.151 117 T CB -0.333 68.504 68.868 -0.052 0.000 0.862 117 T HN 0.026 8.213 8.240 -0.089 0.000 0.438 118 S N 1.442 117.021 115.700 -0.201 0.000 2.399 118 S HA -0.333 4.001 4.470 -0.227 0.000 0.231 118 S C 1.439 175.966 174.600 -0.121 0.000 1.022 118 S CA 3.220 61.303 58.200 -0.196 0.000 0.983 118 S CB -0.096 62.983 63.200 -0.202 0.000 0.803 118 S HN -0.396 7.780 8.310 -0.223 0.000 0.480 119 K N 2.460 122.815 120.400 -0.074 0.000 2.057 119 K HA -0.241 4.052 4.320 -0.045 0.000 0.206 119 K C 2.157 178.833 176.600 0.127 0.000 1.050 119 K CA 3.036 59.313 56.287 -0.016 0.000 0.935 119 K CB -0.047 32.407 32.500 -0.077 0.000 0.715 119 K HN -0.697 7.396 8.250 -0.081 0.109 0.439 120 V N -0.090 119.898 119.914 0.124 0.000 2.343 120 V HA -0.530 3.687 4.120 0.161 0.000 0.247 120 V C 1.679 177.742 176.094 -0.052 0.000 1.051 120 V CA 4.344 66.692 62.300 0.081 0.000 1.036 120 V CB 0.044 31.867 31.823 -0.000 0.000 0.654 120 V HN -0.414 7.820 8.190 0.073 0.000 0.451 121 V N 0.196 120.020 119.914 -0.150 0.000 2.287 121 V HA -0.588 3.289 4.120 -0.404 0.000 0.248 121 V C 1.527 177.431 176.094 -0.317 0.000 1.053 121 V CA 4.992 67.078 62.300 -0.357 0.000 1.027 121 V CB -0.402 31.151 31.823 -0.450 0.000 0.646 121 V HN -0.024 8.081 8.190 -0.141 0.000 0.447 122 K N -0.756 119.554 120.400 -0.150 0.000 2.057 122 K HA -0.364 3.919 4.320 -0.061 0.000 0.207 122 K C 2.223 178.833 176.600 0.016 0.000 1.049 122 K CA 3.314 59.568 56.287 -0.055 0.000 0.931 122 K CB -0.242 32.243 32.500 -0.025 0.000 0.714 122 K HN -0.690 7.487 8.250 -0.121 0.000 0.440 123 M N -0.580 119.053 119.600 0.055 0.000 2.099 123 M HA -0.269 4.265 4.480 0.090 0.000 0.262 123 M C 1.832 178.152 176.300 0.033 0.000 1.067 123 M CA 2.534 57.881 55.300 0.078 0.000 1.124 123 M CB -0.317 32.365 32.600 0.136 0.000 1.353 123 M HN -0.759 7.577 8.290 0.076 0.000 0.410 124 A N -0.968 121.853 122.820 0.002 0.000 1.858 124 A HA -0.389 3.946 4.320 0.024 0.000 0.216 124 A C 2.026 179.699 177.584 0.147 0.000 1.190 124 A CA 2.934 54.995 52.037 0.039 0.000 0.617 124 A CB -0.558 18.452 19.000 0.016 0.000 0.827 124 A HN 0.338 8.470 8.150 -0.029 0.000 0.443 125 H N -1.426 117.646 119.070 0.004 0.000 2.422 125 H HA -0.263 4.300 4.556 0.012 0.000 0.298 125 H C 3.299 178.635 175.328 0.014 0.000 1.098 125 H CA 2.153 58.207 56.048 0.009 0.000 1.315 125 H CB -0.025 29.738 29.762 0.002 0.000 1.382 125 H HN 0.209 8.558 8.280 0.115 0.000 0.523 126 N N 0.229 119.016 118.700 0.144 0.000 2.381 126 N HA -0.187 4.600 4.740 0.080 0.000 0.182 126 N C 0.194 175.743 175.510 0.064 0.000 1.025 126 N CA 1.984 55.085 53.050 0.085 0.000 0.888 126 N CB 0.227 38.754 38.487 0.067 0.000 0.965 126 N HN -0.311 8.134 8.380 0.133 0.015 0.438 127 A N -4.032 118.828 122.820 0.068 0.000 2.430 127 A HA 0.324 4.671 4.320 0.045 0.000 0.243 127 A C -0.012 177.605 177.584 0.055 0.000 1.254 127 A CA -0.745 51.323 52.037 0.052 0.000 0.914 127 A CB 0.334 19.360 19.000 0.043 0.000 0.998 127 A HN -0.495 7.552 8.150 0.080 0.151 0.515 128 G N -1.107 107.728 108.800 0.060 0.000 2.160 128 G HA2 -0.282 3.691 3.960 0.022 0.000 0.244 128 G HA3 -0.282 3.699 3.960 0.035 0.000 0.244 128 G C -0.426 174.511 174.900 0.062 0.000 1.022 128 G CA 0.218 45.344 45.100 0.042 0.000 0.741 128 G HN -0.484 7.674 8.290 0.071 0.174 0.508 129 V N -0.253 119.720 119.914 0.098 0.000 2.547 129 V HA -0.017 4.174 4.120 0.118 0.000 0.299 129 V C -1.014 175.183 176.094 0.172 0.000 1.040 129 V CA -1.128 61.246 62.300 0.124 0.000 0.913 129 V CB 2.335 34.224 31.823 0.110 0.000 0.992 129 V HN -0.450 7.783 8.190 0.110 0.023 0.449 130 S N 4.943 120.753 115.700 0.183 0.000 2.652 130 S HA 0.241 4.940 4.470 0.188 -0.116 0.270 130 S C -1.029 173.626 174.600 0.091 0.000 1.243 130 S CA -0.590 57.720 58.200 0.183 0.000 0.999 130 S CB 1.189 64.567 63.200 0.297 0.000 0.973 130 S HN -0.289 8.139 8.310 0.196 0.000 0.544 131 V N -0.039 119.803 119.914 -0.119 0.000 2.760 131 V HA 0.633 4.917 4.120 -0.084 -0.215 0.309 131 V C -1.998 173.809 176.094 -0.479 0.000 1.077 131 V CA -1.615 60.570 62.300 -0.191 0.000 0.910 131 V CB 4.139 35.884 31.823 -0.131 0.000 1.008 131 V HN 0.516 8.905 8.190 -0.181 -0.307 0.424 132 E N 6.336 126.395 120.200 -0.236 0.000 2.195 132 E HA 0.896 5.307 4.350 -0.266 -0.221 0.271 132 E C -2.110 174.491 176.600 0.002 0.000 0.923 132 E CA -2.961 53.367 56.400 -0.121 0.000 0.790 132 E CB 4.125 33.960 29.700 0.225 0.000 1.155 132 E HN 0.365 8.692 8.360 -0.057 0.000 0.402 133 A N 3.197 126.038 122.820 0.036 0.000 2.486 133 A HA 0.862 5.370 4.320 0.022 -0.174 0.289 133 A C -2.505 175.053 177.584 -0.043 0.000 1.176 133 A CA -2.091 49.969 52.037 0.038 0.000 0.757 133 A CB 4.472 23.586 19.000 0.191 0.000 1.337 133 A HN 0.038 8.213 8.150 0.041 0.000 0.423 134 E N -0.854 119.261 120.200 -0.141 0.000 2.293 134 E HA 0.634 5.044 4.350 -0.158 -0.154 0.270 134 E C -2.057 174.361 176.600 -0.303 0.000 0.879 134 E CA -1.684 54.604 56.400 -0.187 0.000 0.756 134 E CB 3.831 33.437 29.700 -0.156 0.000 1.208 134 E HN 0.287 8.562 8.360 -0.142 0.000 0.428 135 L N 3.039 124.102 121.223 -0.267 0.000 2.410 135 L HA 0.301 4.482 4.340 -0.265 0.000 0.270 135 L C -1.827 174.968 176.870 -0.125 0.000 0.983 135 L CA -1.173 53.518 54.840 -0.249 0.000 0.822 135 L CB 2.951 44.832 42.059 -0.296 0.000 1.285 135 L HN -0.194 7.911 8.230 -0.208 0.000 0.409 136 G N 0.860 109.612 108.800 -0.080 0.000 2.629 136 G HA2 -0.335 3.718 3.960 -0.030 0.000 0.686 136 G HA3 -0.335 3.594 3.960 -0.052 0.000 0.686 136 G C -2.709 172.164 174.900 -0.045 0.000 1.232 136 G CA -0.720 44.351 45.100 -0.049 0.000 0.803 136 G HN 0.062 8.307 8.290 -0.074 0.000 0.638 137 R N 0.101 120.581 120.500 -0.033 0.000 2.349 137 R HA 0.253 4.576 4.340 -0.029 0.000 0.299 137 R C 0.077 176.338 176.300 -0.065 0.000 1.027 137 R CA -1.135 54.945 56.100 -0.035 0.000 0.958 137 R CB 1.445 31.734 30.300 -0.017 0.000 1.047 137 R HN -0.192 8.062 8.270 -0.027 0.000 0.468 138 L N 8.658 129.822 121.223 -0.097 0.000 2.480 138 L HA 0.056 4.314 4.340 -0.137 0.000 0.243 138 L C -1.426 175.356 176.870 -0.147 0.000 1.315 138 L CA -0.272 54.475 54.840 -0.155 0.000 1.231 138 L CB -0.926 40.971 42.059 -0.270 0.000 1.444 138 L HN 0.564 8.739 8.230 -0.092 0.000 0.409 139 M N -0.387 119.154 119.600 -0.099 0.000 2.691 139 M HA 0.201 4.614 4.480 -0.112 0.000 0.293 139 M C -0.158 176.102 176.300 -0.067 0.000 1.259 139 M CA -2.429 52.818 55.300 -0.088 0.000 0.827 139 M CB 3.171 35.734 32.600 -0.060 0.000 1.753 139 M HN -0.654 7.534 8.290 -0.079 0.055 0.465 140 G N -0.717 108.045 108.800 -0.063 0.000 2.525 140 G HA2 0.098 4.269 3.960 -0.008 0.000 0.276 140 G HA3 0.098 4.051 3.960 -0.013 0.000 0.276 140 G C -0.837 174.077 174.900 0.024 0.000 1.388 140 G CA -0.686 44.405 45.100 -0.015 0.000 1.050 140 G HN 0.059 8.306 8.290 -0.073 0.000 0.520 153 V N 0.158 120.068 119.914 -0.006 0.000 2.220 153 V HA -0.261 3.855 4.120 -0.007 0.000 0.246 153 V C 0.690 176.775 176.094 -0.015 0.000 1.049 153 V CA 1.341 63.635 62.300 -0.010 0.000 1.003 153 V CB 0.174 31.989 31.823 -0.013 0.000 0.634 153 V HN -0.195 7.992 8.190 -0.006 0.000 0.444 154 L N -4.081 117.132 121.223 -0.018 0.000 2.474 154 L HA -0.150 4.173 4.340 -0.029 0.000 0.259 154 L C 0.632 177.490 176.870 -0.021 0.000 1.232 154 L CA -0.458 54.368 54.840 -0.023 0.000 0.821 154 L CB -0.125 41.919 42.059 -0.025 0.000 1.108 154 L HN -0.646 7.574 8.230 -0.016 0.000 0.495 155 V N -0.338 119.561 119.914 -0.025 0.000 2.901 155 V HA -0.232 3.873 4.120 -0.025 0.000 0.307 155 V C -1.626 174.462 176.094 -0.010 0.000 1.084 155 V CA 0.607 62.894 62.300 -0.022 0.000 1.184 155 V CB 1.349 33.157 31.823 -0.026 0.000 0.941 155 V HN -0.292 7.881 8.190 -0.029 0.000 0.493 156 N N 7.888 126.587 118.700 -0.000 0.000 2.501 156 N HA 0.311 5.048 4.740 -0.005 0.000 0.245 156 N C -1.154 174.362 175.510 0.010 0.000 0.974 156 N CA -3.503 49.546 53.050 -0.001 0.000 0.941 156 N CB 0.617 39.098 38.487 -0.010 0.000 1.122 156 N HN 0.361 8.744 8.380 0.006 0.000 0.507 157 P HA -0.311 4.124 4.420 0.025 0.000 0.217 157 P C 0.950 178.267 177.300 0.029 0.000 1.151 157 P CA 2.260 65.372 63.100 0.020 0.000 0.849 157 P CB 0.366 32.075 31.700 0.015 0.000 0.787 158 K N -4.155 116.251 120.400 0.010 0.000 2.103 158 K HA -0.162 4.167 4.320 0.015 0.000 0.204 158 K C 2.587 179.193 176.600 0.009 0.000 1.052 158 K CA 1.902 58.191 56.287 0.002 0.000 0.945 158 K CB -0.710 31.773 32.500 -0.028 0.000 0.722 158 K HN -0.452 7.943 8.250 -0.001 -0.146 0.443 159 E N -0.360 119.837 120.200 -0.005 0.000 2.085 159 E HA -0.366 3.899 4.350 -0.141 0.000 0.194 159 E C 2.299 179.088 176.600 0.315 0.000 0.994 159 E CA 3.190 59.621 56.400 0.051 0.000 0.801 159 E CB -0.197 29.548 29.700 0.076 0.000 0.743 159 E HN -0.648 7.931 8.360 -0.019 -0.230 0.453 160 A N -1.194 121.738 122.820 0.186 0.000 1.902 160 A HA -0.299 4.137 4.320 0.193 0.000 0.217 160 A C 1.743 179.453 177.584 0.209 0.000 1.181 160 A CA 3.294 55.437 52.037 0.176 0.000 0.623 160 A CB -1.007 18.039 19.000 0.076 0.000 0.818 160 A HN -0.184 8.035 8.150 0.114 0.000 0.443 161 E N -1.088 119.200 120.200 0.146 0.000 2.058 161 E HA -0.484 3.930 4.350 0.106 0.000 0.194 161 E C 1.958 178.648 176.600 0.149 0.000 0.997 161 E CA 3.207 59.678 56.400 0.118 0.000 0.801 161 E CB -0.246 29.498 29.700 0.074 0.000 0.746 161 E HN -0.520 7.909 8.360 0.115 0.000 0.450 162 Q N -0.851 119.063 119.800 0.191 0.000 2.083 162 Q HA -0.239 4.184 4.340 0.138 0.000 0.198 162 Q C 2.066 178.232 176.000 0.276 0.000 0.969 162 Q CA 2.761 58.689 55.803 0.209 0.000 0.838 162 Q CB 0.019 28.882 28.738 0.207 0.000 0.900 162 Q HN -0.844 7.540 8.270 0.190 0.000 0.436 163 F N 0.967 121.072 119.950 0.258 0.000 2.120 163 F HA -0.402 4.148 4.527 0.040 0.000 0.300 163 F C 1.627 177.437 175.800 0.018 0.000 1.095 163 F CA 3.832 61.889 58.000 0.096 0.000 1.249 163 F CB 0.220 39.239 39.000 0.033 0.000 0.995 163 F HN -0.137 8.537 8.300 0.623 0.000 0.480 164 V N -1.084 118.977 119.914 0.246 0.000 2.379 164 V HA -0.532 3.654 4.120 0.111 0.000 0.245 164 V C 2.146 178.254 176.094 0.023 0.000 1.044 164 V CA 3.537 65.914 62.300 0.128 0.000 1.036 164 V CB -0.041 31.874 31.823 0.152 0.000 0.664 164 V HN -0.274 8.092 8.190 0.307 0.008 0.453 165 K N -0.723 119.702 120.400 0.041 0.000 2.063 165 K HA -0.326 4.006 4.320 0.020 0.000 0.208 165 K C 1.910 178.496 176.600 -0.023 0.000 1.048 165 K CA 3.461 59.759 56.287 0.018 0.000 0.928 165 K CB -0.025 32.496 32.500 0.034 0.000 0.713 165 K HN -0.836 7.459 8.250 0.075 0.000 0.442 166 E N -4.276 115.890 120.200 -0.056 0.000 2.250 166 E HA -0.077 4.235 4.350 -0.063 0.000 0.192 166 E C 1.074 177.567 176.600 -0.178 0.000 0.986 166 E CA 1.701 58.044 56.400 -0.095 0.000 0.849 166 E CB 0.550 30.204 29.700 -0.076 0.000 0.797 166 E HN -0.615 7.717 8.360 -0.047 0.000 0.482 167 S N -3.321 112.207 115.700 -0.287 0.000 2.425 167 S HA -0.063 4.202 4.470 -0.343 0.000 0.225 167 S C 0.549 175.019 174.600 -0.218 0.000 1.024 167 S CA 1.238 59.221 58.200 -0.360 0.000 0.951 167 S CB 2.050 64.848 63.200 -0.670 0.000 0.796 167 S HN -0.560 7.568 8.310 -0.302 0.000 0.498 168 Q N -4.400 115.324 119.800 -0.127 0.000 2.424 168 Q HA -0.421 3.924 4.340 0.008 0.000 0.234 168 Q C -1.130 174.865 176.000 -0.009 0.000 0.748 168 Q CA 1.107 56.891 55.803 -0.032 0.000 1.286 168 Q CB -2.431 26.300 28.738 -0.011 0.000 1.494 168 Q HN -0.398 7.804 8.270 -0.114 0.000 0.683 169 V N -1.119 118.752 119.914 -0.071 0.000 2.872 169 V HA -0.337 3.723 4.120 -0.100 0.000 0.307 169 V C -0.139 175.953 176.094 -0.003 0.000 1.072 169 V CA 0.743 63.010 62.300 -0.055 0.000 1.148 169 V CB 0.562 32.380 31.823 -0.009 0.000 0.954 169 V HN -0.753 7.325 8.190 -0.108 0.048 0.490 170 D N 7.884 128.239 120.400 -0.074 0.000 2.213 170 D HA -0.070 4.611 4.640 0.069 0.000 0.205 170 D C -0.124 176.220 176.300 0.074 0.000 0.961 170 D CA 2.398 56.383 54.000 -0.025 0.000 0.853 170 D CB 1.305 42.069 40.800 -0.060 0.000 0.967 170 D HN -0.150 8.122 8.370 -0.164 0.000 0.496 171 Y N -7.170 113.162 120.300 0.054 0.000 2.597 171 Y HA 0.398 5.040 4.550 -0.015 -0.101 0.340 171 Y C -2.093 173.825 175.900 0.031 0.000 1.097 171 Y CA -2.135 55.969 58.100 0.008 0.000 1.037 171 Y CB 2.508 40.943 38.460 -0.041 0.000 1.305 171 Y HN -0.576 7.425 8.280 -0.464 0.000 0.463 172 L N 0.597 121.922 121.223 0.170 0.000 2.381 172 L HA 0.692 5.237 4.340 0.077 -0.159 0.268 172 L C -2.063 174.852 176.870 0.075 0.000 0.997 172 L CA -1.898 52.996 54.840 0.090 0.000 0.818 172 L CB 4.945 47.041 42.059 0.062 0.000 1.310 172 L HN -0.257 8.072 8.230 0.166 0.000 0.416 173 A N 4.098 126.946 122.820 0.048 0.000 2.540 173 A HA 0.854 5.422 4.320 0.090 -0.194 0.340 173 A C -2.967 174.612 177.584 -0.009 0.000 1.424 173 A CA -3.903 48.173 52.037 0.065 0.000 0.940 173 A CB 0.136 19.212 19.000 0.127 0.000 1.149 173 A HN 0.678 8.838 8.150 0.017 0.000 0.505 174 P HA 0.376 4.903 4.420 -0.054 -0.140 0.292 174 P C -1.492 175.796 177.300 -0.020 0.000 1.287 174 P CA -1.645 61.440 63.100 -0.026 0.000 0.800 174 P CB 0.917 32.612 31.700 -0.009 0.000 0.945 175 A N 3.230 126.025 122.820 -0.041 0.000 2.404 175 A HA 0.125 4.423 4.320 -0.035 0.000 0.273 175 A C -0.408 177.156 177.584 -0.035 0.000 1.144 175 A CA -0.287 51.725 52.037 -0.041 0.000 0.806 175 A CB 0.797 19.764 19.000 -0.056 0.000 1.080 175 A HN -0.180 7.938 8.150 -0.053 0.000 0.509 176 I N -1.785 118.765 120.570 -0.034 0.000 4.102 176 I HA 0.315 4.451 4.170 -0.056 0.000 0.325 176 I C -0.620 175.460 176.117 -0.061 0.000 1.471 176 I CA -1.401 59.864 61.300 -0.058 0.000 1.133 176 I CB 0.479 38.430 38.000 -0.083 0.000 1.184 176 I HN 0.367 8.563 8.210 -0.025 0.000 0.451 177 G N -1.471 107.317 108.800 -0.020 0.000 2.273 177 G HA2 -0.270 3.702 3.960 0.019 0.000 0.162 177 G HA3 -0.270 3.720 3.960 0.050 0.000 0.162 177 G C -0.731 174.205 174.900 0.060 0.000 1.006 177 G CA -0.195 44.923 45.100 0.030 0.000 0.704 177 G HN 0.197 8.473 8.290 -0.024 0.000 0.487 178 T N -2.278 112.288 114.554 0.021 0.000 2.847 178 T HA -0.028 4.282 4.350 -0.066 0.000 0.279 178 T C -1.775 172.844 174.700 -0.136 0.000 0.984 178 T CA -1.175 60.905 62.100 -0.034 0.000 0.988 178 T CB 1.426 70.316 68.868 0.037 0.000 1.040 178 T HN -0.505 7.744 8.240 0.015 0.000 0.528 179 S N -1.878 113.706 115.700 -0.194 0.000 2.596 179 S HA 0.296 4.596 4.470 -0.283 0.000 0.270 179 S C -1.353 173.159 174.600 -0.147 0.000 1.155 179 S CA -1.363 56.703 58.200 -0.224 0.000 0.827 179 S CB 2.343 65.422 63.200 -0.202 0.000 1.130 179 S HN -0.016 8.174 8.310 -0.200 0.000 0.467 180 H N 1.595 120.641 119.070 -0.039 0.000 2.690 180 H HA 0.074 4.624 4.556 -0.011 0.000 0.365 180 H C 0.708 176.003 175.328 -0.055 0.000 1.142 180 H CA 1.259 57.289 56.048 -0.029 0.000 1.417 180 H CB 0.525 30.271 29.762 -0.026 0.000 1.446 180 H HN 0.469 8.596 8.280 -0.255 0.000 0.599 181 G N 0.808 109.651 108.800 0.072 0.000 2.610 181 G HA2 -0.233 3.697 3.960 -0.051 0.000 0.304 181 G HA3 -0.233 3.731 3.960 0.006 0.000 0.304 181 G C -0.992 173.802 174.900 -0.178 0.000 1.309 181 G CA -0.604 44.475 45.100 -0.035 0.000 0.906 181 G HN 0.171 8.510 8.290 0.081 0.000 0.521 182 A N 0.214 122.783 122.820 -0.418 0.000 2.169 182 A HA -0.023 4.011 4.320 -0.477 0.000 0.212 182 A C -0.861 176.204 177.584 -0.866 0.000 1.153 182 A CA 1.013 52.597 52.037 -0.756 0.000 0.756 182 A CB 0.505 18.838 19.000 -1.111 0.000 0.813 182 A HN 0.325 8.224 8.150 -0.418 0.000 0.471 183 F N -5.609 114.302 119.950 -0.064 0.000 2.449 183 F HA 0.220 4.716 4.527 -0.052 0.000 0.329 183 F C 0.002 175.713 175.800 -0.149 0.000 1.245 183 F CA -0.957 57.000 58.000 -0.072 0.000 1.193 183 F CB -0.949 38.023 39.000 -0.046 0.000 1.425 183 F HN -0.513 7.616 8.300 -0.204 0.050 0.544 184 K N -0.367 119.929 120.400 -0.174 0.000 2.211 184 K HA 0.129 4.186 4.320 -0.439 0.000 0.201 184 K C -0.958 175.161 176.600 -0.801 0.000 1.052 184 K CA 1.428 57.371 56.287 -0.574 0.000 0.973 184 K CB 1.558 33.529 32.500 -0.882 0.000 0.766 184 K HN -0.169 7.986 8.250 -0.159 0.000 0.466 185 F N -3.208 116.764 119.950 0.036 0.000 2.547 185 F HA 0.165 4.705 4.527 0.022 0.000 0.316 185 F C -0.966 174.853 175.800 0.031 0.000 1.121 185 F CA -1.565 56.448 58.000 0.021 0.000 0.911 185 F CB 2.296 41.291 39.000 -0.009 0.000 1.179 185 F HN -0.648 7.653 8.300 0.002 0.000 0.443 186 K N 3.072 123.589 120.400 0.195 0.000 2.281 186 K HA 0.203 4.593 4.320 0.117 0.000 0.272 186 K C 0.475 177.143 176.600 0.113 0.000 1.048 186 K CA -0.231 56.130 56.287 0.123 0.000 0.898 186 K CB -0.089 32.455 32.500 0.074 0.000 1.128 186 K HN 0.377 8.736 8.250 0.181 0.000 0.460 187 G N 4.787 113.638 108.800 0.086 0.000 2.710 187 G HA2 -0.375 3.604 3.960 0.032 0.000 0.668 187 G HA3 -0.375 3.613 3.960 0.047 0.000 0.668 187 G C -2.101 172.811 174.900 0.020 0.000 1.320 187 G CA -1.032 44.097 45.100 0.048 0.000 0.860 187 G HN 0.099 8.438 8.290 0.081 0.000 0.538 188 E N 0.772 120.952 120.200 -0.034 0.000 2.376 188 E HA 0.004 4.268 4.350 -0.143 0.000 0.266 188 E C -2.020 174.428 176.600 -0.253 0.000 1.009 188 E CA -1.204 55.121 56.400 -0.124 0.000 0.902 188 E CB 0.140 29.782 29.700 -0.096 0.000 0.972 188 E HN 0.104 8.452 8.360 -0.021 0.000 0.439 189 P HA -0.137 3.102 4.420 -1.969 0.000 0.266 189 P C -1.631 175.360 177.300 -0.514 0.000 1.193 189 P CA 0.622 62.940 63.100 -1.303 0.000 0.770 189 P CB 0.337 31.023 31.700 -1.690 0.000 0.836 190 K N 1.070 121.297 120.400 -0.288 0.000 2.543 190 K HA 0.195 4.709 4.320 0.324 0.000 0.255 190 K C -2.189 174.458 176.600 0.079 0.000 0.934 190 K CA -0.537 55.816 56.287 0.111 0.000 0.810 190 K CB 2.248 34.776 32.500 0.047 0.000 1.315 190 K HN 0.045 8.011 8.250 -0.473 0.000 0.433 191 L N 2.671 123.784 121.223 -0.183 0.000 2.309 191 L HA 0.408 4.732 4.340 -0.186 -0.095 0.261 191 L C -1.069 175.427 176.870 -0.623 0.000 1.021 191 L CA -1.546 53.033 54.840 -0.434 0.000 0.823 191 L CB 3.162 44.796 42.059 -0.708 0.000 1.366 191 L HN 0.038 8.073 8.230 -0.325 0.000 0.423 192 D N 1.793 121.930 120.400 -0.438 0.000 2.564 192 D HA 0.170 4.676 4.640 -0.223 0.000 0.226 192 D C 0.352 176.500 176.300 -0.253 0.000 1.149 192 D CA -1.563 52.274 54.000 -0.272 0.000 0.994 192 D CB -0.902 39.822 40.800 -0.127 0.000 1.029 192 D HN 0.065 8.228 8.370 -0.345 0.000 0.517 193 F N 2.031 121.931 119.950 -0.083 0.000 2.293 193 F HA -0.312 4.170 4.527 -0.074 0.000 0.300 193 F C 1.593 177.361 175.800 -0.052 0.000 1.086 193 F CA 2.861 60.810 58.000 -0.084 0.000 1.375 193 F CB -0.061 38.860 39.000 -0.132 0.000 1.045 193 F HN -0.504 7.588 8.300 -0.347 0.000 0.516 194 E N 0.082 120.349 120.200 0.112 0.000 2.072 194 E HA -0.374 4.016 4.350 0.068 0.000 0.191 194 E C 2.123 178.747 176.600 0.039 0.000 0.985 194 E CA 2.840 59.278 56.400 0.062 0.000 0.801 194 E CB -0.595 29.127 29.700 0.037 0.000 0.750 194 E HN -0.048 8.347 8.360 0.086 0.017 0.452 195 R N -0.526 119.985 120.500 0.017 0.000 2.096 195 R HA -0.277 4.069 4.340 0.009 0.000 0.235 195 R C 2.302 178.614 176.300 0.020 0.000 1.127 195 R CA 2.867 58.971 56.100 0.007 0.000 0.968 195 R CB 0.014 30.305 30.300 -0.015 0.000 0.861 195 R HN -0.662 7.870 8.270 0.003 -0.261 0.440 196 L N -0.710 120.533 121.223 0.033 0.000 2.012 196 L HA -0.344 4.019 4.340 0.038 0.000 0.210 196 L C 1.642 178.547 176.870 0.059 0.000 1.073 196 L CA 3.224 58.097 54.840 0.055 0.000 0.748 196 L CB -0.312 41.809 42.059 0.104 0.000 0.891 196 L HN -0.407 7.841 8.230 0.030 0.000 0.431 197 Q N -2.341 117.498 119.800 0.066 0.000 2.224 197 Q HA -0.334 4.036 4.340 0.050 0.000 0.203 197 Q C 2.744 178.768 176.000 0.039 0.000 0.970 197 Q CA 2.987 58.820 55.803 0.050 0.000 0.865 197 Q CB -0.155 28.610 28.738 0.044 0.000 0.922 197 Q HN -0.239 8.078 8.270 0.077 0.000 0.445 198 E N 0.660 120.880 120.200 0.034 0.000 2.072 198 E HA -0.217 4.149 4.350 0.027 0.000 0.190 198 E C 2.125 178.743 176.600 0.031 0.000 0.982 198 E CA 2.491 58.908 56.400 0.028 0.000 0.803 198 E CB -0.449 29.264 29.700 0.021 0.000 0.755 198 E HN -0.588 7.778 8.360 0.035 0.015 0.453 199 V N 0.223 120.156 119.914 0.032 0.000 2.332 199 V HA -0.539 3.602 4.120 0.035 0.000 0.248 199 V C 2.210 178.329 176.094 0.041 0.000 1.055 199 V CA 4.388 66.709 62.300 0.035 0.000 1.038 199 V CB -0.228 31.612 31.823 0.029 0.000 0.651 199 V HN -0.293 7.915 8.190 0.030 0.000 0.450 200 K N -0.043 120.383 120.400 0.044 0.000 2.026 200 K HA -0.236 4.115 4.320 0.051 0.000 0.208 200 K C 1.768 178.402 176.600 0.056 0.000 1.048 200 K CA 2.514 58.832 56.287 0.053 0.000 0.929 200 K CB -0.500 32.036 32.500 0.060 0.000 0.713 200 K HN -0.235 8.042 8.250 0.044 0.000 0.439 201 R N -1.427 119.101 120.500 0.047 0.000 2.091 201 R HA -0.270 4.098 4.340 0.047 0.000 0.238 201 R C 2.227 178.553 176.300 0.043 0.000 1.136 201 R CA 3.103 59.229 56.100 0.043 0.000 0.959 201 R CB -0.198 30.122 30.300 0.033 0.000 0.856 201 R HN -0.625 7.671 8.270 0.043 0.000 0.437 202 L N -5.431 115.817 121.223 0.042 0.000 2.179 202 L HA -0.061 4.302 4.340 0.039 0.000 0.208 202 L C 1.639 178.538 176.870 0.049 0.000 1.096 202 L CA 2.088 56.953 54.840 0.043 0.000 0.779 202 L CB 0.343 42.427 42.059 0.042 0.000 0.922 202 L HN -0.492 7.762 8.230 0.041 0.000 0.443 203 T N -6.962 107.622 114.554 0.049 0.000 3.033 203 T HA -0.065 4.317 4.350 0.055 0.000 0.248 203 T C 0.999 175.718 174.700 0.031 0.000 1.040 203 T CA 0.201 62.329 62.100 0.047 0.000 1.133 203 T CB 1.565 70.463 68.868 0.050 0.000 0.895 203 T HN -0.504 7.765 8.240 0.048 0.000 0.465 204 N N 1.310 120.033 118.700 0.038 0.000 2.721 204 N HA -0.409 4.399 4.740 0.112 0.000 0.249 204 N C -1.675 173.776 175.510 -0.099 0.000 1.072 204 N CA 1.461 54.541 53.050 0.051 0.000 0.710 204 N CB -1.230 37.305 38.487 0.080 0.000 0.993 204 N HN -0.029 8.380 8.380 0.049 0.000 0.547 205 I N -9.068 111.396 120.570 -0.177 0.000 3.108 205 I HA 0.635 4.511 4.170 -0.491 0.000 0.312 205 I C -2.224 173.672 176.117 -0.369 0.000 1.095 205 I CA -3.809 57.299 61.300 -0.320 0.000 1.000 205 I CB 1.200 39.148 38.000 -0.085 0.000 1.229 205 I HN -0.989 7.140 8.210 -0.093 0.025 0.454 206 P HA 0.152 4.712 4.420 -0.165 -0.239 0.266 206 P C -1.087 176.184 177.300 -0.048 0.000 1.195 206 P CA 0.011 63.010 63.100 -0.168 0.000 0.768 206 P CB 0.224 31.835 31.700 -0.149 0.000 0.838 207 L N 0.703 121.896 121.223 -0.050 0.000 2.319 207 L HA 0.767 5.288 4.340 0.023 -0.167 0.267 207 L C -0.558 176.279 176.870 -0.055 0.000 1.011 207 L CA -1.514 53.318 54.840 -0.012 0.000 0.818 207 L CB 4.227 46.291 42.059 0.008 0.000 1.316 207 L HN -0.531 7.819 8.230 -0.060 -0.156 0.432 208 V N -0.361 119.545 119.914 -0.014 0.000 2.487 208 V HA 0.486 4.706 4.120 -0.142 -0.185 0.298 208 V C -1.492 174.615 176.094 0.021 0.000 1.028 208 V CA -1.411 60.857 62.300 -0.054 0.000 0.860 208 V CB 2.675 34.484 31.823 -0.023 0.000 0.991 208 V HN 0.352 8.558 8.190 0.027 0.000 0.427 209 L N 7.882 129.089 121.223 -0.026 0.000 2.257 209 L HA 0.437 4.829 4.340 0.087 0.000 0.290 209 L C -1.922 174.959 176.870 0.018 0.000 1.044 209 L CA -1.732 53.130 54.840 0.038 0.000 0.810 209 L CB 1.997 44.078 42.059 0.038 0.000 1.193 209 L HN 0.294 8.473 8.230 -0.085 0.000 0.425 210 H N 5.662 124.748 119.070 0.027 0.000 2.509 210 H HA 0.084 4.706 4.556 0.111 0.000 0.359 210 H C 0.517 175.896 175.328 0.085 0.000 1.253 210 H CA 0.959 57.064 56.048 0.096 0.000 1.373 210 H CB 2.242 32.101 29.762 0.161 0.000 1.555 210 H HN 0.512 8.984 8.280 0.320 0.000 0.586 211 G N -1.634 107.345 108.800 0.299 0.000 2.338 211 G HA2 -0.467 3.652 3.960 0.266 0.000 0.296 211 G HA3 -0.467 3.698 3.960 0.111 -0.138 0.296 211 G C -1.036 173.929 174.900 0.109 0.000 1.040 211 G CA 0.637 45.855 45.100 0.196 0.000 1.004 211 G HN 0.807 9.357 8.290 0.435 0.000 0.509 212 A N -2.901 119.977 122.820 0.096 0.000 2.387 212 A HA 0.189 4.583 4.320 0.122 0.000 0.234 212 A C -0.937 176.708 177.584 0.102 0.000 1.253 212 A CA -0.699 51.395 52.037 0.095 0.000 0.894 212 A CB 0.960 19.994 19.000 0.056 0.000 0.963 212 A HN -0.690 7.512 8.150 0.086 0.000 0.508 213 S N -2.056 113.692 115.700 0.080 0.000 2.560 213 S HA -0.212 4.408 4.470 0.104 -0.088 0.284 213 S C 0.472 175.115 174.600 0.073 0.000 1.327 213 S CA 0.418 58.663 58.200 0.076 0.000 1.055 213 S CB 0.443 63.662 63.200 0.032 0.000 0.868 213 S HN -0.718 7.586 8.310 0.070 0.048 0.506 214 A N 4.907 127.777 122.820 0.084 0.000 2.115 214 A HA 0.344 4.912 4.320 0.001 -0.247 0.211 214 A C -0.391 177.143 177.584 -0.084 0.000 1.169 214 A CA -0.483 51.554 52.037 0.001 0.000 0.787 214 A CB 1.241 20.246 19.000 0.008 0.000 0.858 214 A HN 0.273 8.880 8.150 0.121 -0.384 0.474 215 I N -2.784 117.761 120.570 -0.043 0.000 6.400 215 I HA -0.440 3.772 4.170 -0.047 -0.070 0.126 215 I C -2.999 173.063 176.117 -0.091 0.000 1.494 215 I CA -0.426 60.833 61.300 -0.069 0.000 2.484 215 I CB -2.084 35.850 38.000 -0.109 0.000 2.837 215 I HN -0.283 8.388 8.210 -0.007 -0.465 0.286 216 P HA 0.076 4.378 4.420 -0.196 0.000 0.269 216 P C -0.134 177.160 177.300 -0.010 0.000 1.209 216 P CA -0.392 62.688 63.100 -0.034 0.000 0.776 216 P CB 0.708 32.526 31.700 0.196 0.000 0.876 217 D N 2.283 122.669 120.400 -0.023 0.000 2.149 217 D HA -0.419 4.214 4.640 -0.011 0.000 0.194 217 D C 1.529 177.850 176.300 0.035 0.000 1.001 217 D CA 4.253 58.255 54.000 0.002 0.000 0.849 217 D CB -0.217 40.586 40.800 0.004 0.000 0.939 217 D HN 0.471 8.811 8.370 -0.050 0.000 0.449 218 N N -1.328 117.407 118.700 0.058 0.000 2.216 218 N HA -0.218 4.554 4.740 0.053 0.000 0.183 218 N C 2.177 177.727 175.510 0.067 0.000 1.017 218 N CA 2.816 55.903 53.050 0.061 0.000 0.861 218 N CB -0.993 37.534 38.487 0.067 0.000 0.986 218 N HN 0.436 8.849 8.380 0.075 0.011 0.428 219 V N 2.283 122.240 119.914 0.071 0.000 2.307 219 V HA -0.525 3.647 4.120 0.086 0.000 0.245 219 V C 1.635 177.781 176.094 0.086 0.000 1.045 219 V CA 3.955 66.300 62.300 0.076 0.000 1.024 219 V CB -0.239 31.621 31.823 0.062 0.000 0.651 219 V HN -0.936 7.298 8.190 0.073 0.000 0.449 220 R N -0.691 119.844 120.500 0.058 0.000 2.083 220 R HA -0.420 3.970 4.340 0.084 0.000 0.237 220 R C 1.656 178.024 176.300 0.112 0.000 1.137 220 R CA 3.815 59.960 56.100 0.075 0.000 0.951 220 R CB -0.283 30.038 30.300 0.034 0.000 0.851 220 R HN -0.098 8.195 8.270 0.038 0.000 0.434 221 K N -1.637 118.810 120.400 0.079 0.000 2.097 221 K HA -0.306 4.052 4.320 0.064 0.000 0.206 221 K C 2.029 178.675 176.600 0.077 0.000 1.049 221 K CA 3.432 59.760 56.287 0.068 0.000 0.933 221 K CB -0.364 32.165 32.500 0.048 0.000 0.717 221 K HN -0.249 8.039 8.250 0.064 0.000 0.442 222 S N -0.991 114.765 115.700 0.093 0.000 2.368 222 S HA -0.272 4.233 4.470 0.058 0.000 0.224 222 S C 1.847 176.516 174.600 0.115 0.000 1.029 222 S CA 3.084 61.337 58.200 0.089 0.000 0.988 222 S CB -0.065 63.190 63.200 0.092 0.000 0.838 222 S HN -0.467 7.888 8.310 0.096 0.012 0.462 223 Y N 2.746 123.065 120.300 0.031 0.000 2.220 223 Y HA -0.325 4.250 4.550 0.042 0.000 0.291 223 Y C 1.689 177.611 175.900 0.036 0.000 1.129 223 Y CA 3.846 61.969 58.100 0.038 0.000 1.161 223 Y CB 0.303 38.787 38.460 0.040 0.000 0.997 223 Y HN -0.583 7.865 8.280 0.281 0.000 0.522 224 L N -1.386 119.907 121.223 0.117 0.000 2.093 224 L HA -0.292 4.234 4.340 0.016 -0.177 0.208 224 L C 2.856 179.716 176.870 -0.016 0.000 1.085 224 L CA 2.457 57.322 54.840 0.041 0.000 0.755 224 L CB -0.529 41.578 42.059 0.080 0.000 0.904 224 L HN -0.082 8.255 8.230 0.178 0.000 0.435 225 D N 0.892 121.292 120.400 0.000 0.000 2.182 225 D HA -0.237 4.399 4.640 -0.007 0.000 0.201 225 D C 1.075 177.351 176.300 -0.040 0.000 0.986 225 D CA 3.010 57.003 54.000 -0.011 0.000 0.847 225 D CB -0.545 40.257 40.800 0.002 0.000 0.942 225 D HN -0.121 8.263 8.370 0.024 0.000 0.467 226 A N -4.075 118.699 122.820 -0.076 0.000 2.302 226 A HA 0.185 4.463 4.320 -0.069 0.000 0.219 226 A C 0.080 177.580 177.584 -0.140 0.000 1.243 226 A CA -0.380 51.595 52.037 -0.103 0.000 0.856 226 A CB -0.173 18.758 19.000 -0.116 0.000 0.893 226 A HN -0.621 7.354 8.150 -0.085 0.123 0.491 227 G N -2.594 106.127 108.800 -0.132 0.000 2.175 227 G HA2 -0.275 3.643 3.960 -0.071 0.000 0.244 227 G HA3 -0.275 3.630 3.960 -0.093 0.000 0.244 227 G C 0.222 175.022 174.900 -0.167 0.000 0.982 227 G CA -0.169 44.864 45.100 -0.112 0.000 0.641 227 G HN -0.286 7.759 8.290 -0.110 0.179 0.527 228 G N -0.010 108.579 108.800 -0.352 0.000 2.606 228 G HA2 -0.080 3.662 3.960 -0.364 0.000 0.252 228 G HA3 -0.080 3.232 3.960 -1.179 -0.059 0.252 228 G C -1.865 173.025 174.900 -0.017 0.000 1.206 228 G CA -0.750 44.065 45.100 -0.476 0.000 0.861 228 G HN -0.325 7.668 8.290 -0.420 0.045 0.561 229 D N -1.296 119.229 120.400 0.208 0.000 2.492 229 D HA 0.194 4.937 4.640 0.172 0.000 0.248 229 D C -0.904 175.589 176.300 0.321 0.000 1.101 229 D CA -0.677 53.455 54.000 0.220 0.000 0.840 229 D CB 0.927 41.816 40.800 0.148 0.000 1.209 229 D HN 0.080 8.631 8.370 0.303 0.000 0.524 230 L N 4.318 125.701 121.223 0.267 0.000 3.291 230 L HA 0.121 4.631 4.340 0.283 0.000 0.307 230 L C -1.024 175.997 176.870 0.252 0.000 1.303 230 L CA -0.997 53.989 54.840 0.243 0.000 0.949 230 L CB 0.722 42.864 42.059 0.138 0.000 1.375 230 L HN 0.285 8.650 8.230 0.225 0.000 0.596 231 K N 2.183 122.716 120.400 0.223 0.000 2.453 231 K HA -0.234 4.166 4.320 0.133 0.000 0.280 231 K C 0.694 177.423 176.600 0.215 0.000 1.045 231 K CA 2.193 58.577 56.287 0.161 0.000 1.059 231 K CB 0.042 32.596 32.500 0.090 0.000 0.901 231 K HN -0.314 8.342 8.250 0.203 -0.284 0.475 232 G N 4.357 113.266 108.800 0.181 0.000 2.179 232 G HA2 -0.361 3.679 3.960 0.134 0.000 0.260 232 G HA3 -0.361 3.688 3.960 0.149 0.000 0.260 232 G C -0.548 174.554 174.900 0.337 0.000 0.977 232 G CA -0.335 44.880 45.100 0.192 0.000 0.641 232 G HN 0.495 8.871 8.290 0.143 0.000 0.533 233 S N 0.370 116.273 115.700 0.339 0.000 2.564 233 S HA -0.149 4.529 4.470 0.216 -0.078 0.278 233 S C -0.434 174.191 174.600 0.042 0.000 1.333 233 S CA 0.414 58.682 58.200 0.113 0.000 1.048 233 S CB 1.711 64.776 63.200 -0.225 0.000 0.900 233 S HN -0.575 7.863 8.310 0.293 0.048 0.505 234 K N 3.043 123.446 120.400 0.005 0.000 2.565 234 K HA 0.315 4.646 4.320 0.019 0.000 0.251 234 K C -1.494 175.133 176.600 0.045 0.000 0.956 234 K CA -0.610 55.710 56.287 0.055 0.000 0.809 234 K CB 4.716 37.322 32.500 0.176 0.000 1.267 234 K HN 0.125 8.350 8.250 -0.042 0.000 0.438 235 G N 1.477 110.296 108.800 0.032 0.000 2.753 235 G HA2 0.612 4.597 3.960 0.041 0.000 0.285 235 G HA3 0.612 4.663 3.960 -0.000 -0.091 0.285 235 G C -1.197 173.820 174.900 0.195 0.000 1.344 235 G CA -1.831 43.306 45.100 0.061 0.000 1.050 235 G HN -0.270 8.014 8.290 -0.011 0.000 0.532 236 V N 1.848 121.881 119.914 0.197 0.000 2.508 236 V HA 0.046 4.315 4.120 0.247 0.000 0.281 236 V C -1.330 174.751 176.094 -0.022 0.000 1.041 236 V CA -1.896 60.521 62.300 0.194 0.000 1.016 236 V CB 0.218 32.205 31.823 0.274 0.000 0.984 236 V HN -0.028 8.255 8.190 0.156 0.000 0.478 237 P HA -0.006 4.202 4.420 -0.353 0.000 0.267 237 P C -0.039 177.272 177.300 0.018 0.000 1.200 237 P CA -0.019 62.918 63.100 -0.271 0.000 0.772 237 P CB 0.683 32.091 31.700 -0.486 0.000 0.855 238 F N 2.191 122.163 119.950 0.036 0.000 2.161 238 F HA -0.407 4.169 4.527 0.082 0.000 0.300 238 F C 1.806 177.673 175.800 0.112 0.000 1.089 238 F CA 3.419 61.462 58.000 0.072 0.000 1.282 238 F CB -0.781 38.246 39.000 0.045 0.000 1.010 238 F HN 0.433 8.592 8.300 -0.236 0.000 0.485 239 E N -1.010 119.374 120.200 0.307 0.000 2.118 239 E HA -0.268 4.203 4.350 0.203 0.000 0.195 239 E C 2.606 179.414 176.600 0.347 0.000 0.992 239 E CA 3.274 59.835 56.400 0.267 0.000 0.804 239 E CB -0.962 28.883 29.700 0.241 0.000 0.741 239 E HN 0.434 8.933 8.360 0.247 0.010 0.458 240 F N -1.055 118.971 119.950 0.126 0.000 2.186 240 F HA -0.195 4.473 4.527 0.236 0.000 0.299 240 F C 2.024 177.955 175.800 0.219 0.000 1.090 240 F CA 1.942 60.076 58.000 0.223 0.000 1.307 240 F CB -0.371 38.784 39.000 0.258 0.000 1.019 240 F HN -0.800 7.753 8.300 0.586 0.099 0.489 241 L N -1.289 120.160 121.223 0.377 0.000 2.056 241 L HA -0.501 3.994 4.340 0.258 0.000 0.207 241 L C 2.174 179.135 176.870 0.152 0.000 1.078 241 L CA 3.426 58.419 54.840 0.255 0.000 0.749 241 L CB -0.816 41.391 42.059 0.247 0.000 0.901 241 L HN -0.576 7.889 8.230 0.391 0.000 0.433 242 Q N -1.740 118.137 119.800 0.127 0.000 2.124 242 Q HA -0.403 3.962 4.340 0.042 0.000 0.202 242 Q C 2.795 178.775 176.000 -0.033 0.000 0.977 242 Q CA 3.476 59.307 55.803 0.047 0.000 0.850 242 Q CB -0.192 28.573 28.738 0.044 0.000 0.901 242 Q HN -0.356 8.016 8.270 0.169 0.000 0.429 243 E N -0.894 119.240 120.200 -0.111 0.000 2.106 243 E HA -0.225 3.923 4.350 -0.337 0.000 0.192 243 E C 2.708 179.122 176.600 -0.311 0.000 0.984 243 E CA 2.505 58.670 56.400 -0.391 0.000 0.806 243 E CB -0.514 28.644 29.700 -0.903 0.000 0.750 243 E HN -0.409 7.836 8.360 -0.052 0.084 0.458 244 S N 0.809 116.498 115.700 -0.019 0.000 2.368 244 S HA -0.245 4.377 4.470 0.253 0.000 0.225 244 S C 2.377 177.010 174.600 0.056 0.000 1.030 244 S CA 3.537 61.828 58.200 0.153 0.000 0.999 244 S CB -0.533 62.802 63.200 0.226 0.000 0.844 244 S HN -0.200 8.064 8.310 0.063 0.084 0.459 245 V N 2.136 122.067 119.914 0.028 0.000 2.343 245 V HA -0.400 3.936 4.120 0.015 -0.207 0.247 245 V C 2.774 178.863 176.094 -0.008 0.000 1.051 245 V CA 3.755 66.063 62.300 0.013 0.000 1.036 245 V CB -0.275 31.563 31.823 0.025 0.000 0.654 245 V HN -0.441 7.770 8.190 0.034 0.000 0.451 246 K N -1.694 118.682 120.400 -0.039 0.000 2.209 246 K HA -0.247 4.051 4.320 -0.038 0.000 0.204 246 K C 1.789 178.361 176.600 -0.046 0.000 1.048 246 K CA 2.553 58.807 56.287 -0.055 0.000 0.940 246 K CB -0.343 32.099 32.500 -0.096 0.000 0.729 246 K HN -0.499 7.718 8.250 -0.055 0.000 0.451 247 G N -5.335 103.443 108.800 -0.037 0.000 2.777 247 G HA2 0.098 4.054 3.960 -0.007 0.000 0.211 247 G HA3 0.098 4.077 3.960 0.032 0.000 0.211 247 G C -0.748 174.172 174.900 0.034 0.000 1.149 247 G CA -0.296 44.808 45.100 0.005 0.000 0.785 247 G HN -0.492 7.630 8.290 -0.041 0.143 0.536 248 G N -2.408 106.409 108.800 0.029 0.000 2.227 248 G HA2 -0.204 3.783 3.960 0.046 0.000 0.168 248 G HA3 -0.204 3.789 3.960 0.056 0.000 0.168 248 G C -0.753 174.166 174.900 0.032 0.000 1.006 248 G CA -0.561 44.566 45.100 0.044 0.000 0.684 248 G HN -0.684 7.469 8.290 0.018 0.149 0.489 249 I N 2.018 122.602 120.570 0.023 0.000 2.533 249 I HA -0.267 4.008 4.170 -0.012 -0.113 0.284 249 I C -1.072 175.018 176.117 -0.045 0.000 1.109 249 I CA -0.191 61.107 61.300 -0.004 0.000 1.412 249 I CB -1.709 36.303 38.000 0.020 0.000 1.396 249 I HN -0.342 7.888 8.210 0.034 0.000 0.543 250 N N 6.304 124.942 118.700 -0.102 0.000 2.239 250 N HA 0.262 5.065 4.740 -0.133 -0.143 0.208 250 N C -0.873 174.491 175.510 -0.242 0.000 1.200 250 N CA 0.427 53.381 53.050 -0.160 0.000 0.895 250 N CB 3.312 41.694 38.487 -0.175 0.000 1.085 250 N HN 0.634 8.945 8.380 -0.115 0.000 0.500 251 K N 1.287 121.507 120.400 -0.300 0.000 2.426 251 K HA 0.705 4.969 4.320 -0.448 -0.213 0.254 251 K C -2.561 173.840 176.600 -0.331 0.000 0.936 251 K CA -1.236 54.786 56.287 -0.443 0.000 0.801 251 K CB 3.611 35.678 32.500 -0.722 0.000 1.139 251 K HN -0.571 7.526 8.250 -0.254 0.000 0.424 252 V N 6.980 126.695 119.914 -0.331 0.000 2.357 252 V HA 0.347 4.479 4.120 -0.193 -0.127 0.281 252 V C -1.420 174.483 176.094 -0.320 0.000 1.015 252 V CA -1.540 60.614 62.300 -0.243 0.000 0.827 252 V CB 1.511 33.248 31.823 -0.143 0.000 1.018 252 V HN 0.205 8.168 8.190 -0.378 0.000 0.432 253 N N 8.959 127.482 118.700 -0.295 0.000 2.475 253 N HA 0.216 4.928 4.740 -0.336 -0.173 0.267 253 N C -0.941 174.478 175.510 -0.152 0.000 1.169 253 N CA 0.404 53.285 53.050 -0.282 0.000 0.947 253 N CB 0.821 39.107 38.487 -0.335 0.000 1.061 253 N HN 0.361 8.575 8.380 -0.278 0.000 0.466 254 T N 4.863 119.329 114.554 -0.148 0.000 2.949 254 T HA 0.301 4.668 4.350 0.029 0.000 0.300 254 T C -2.200 172.558 174.700 0.097 0.000 0.988 254 T CA 0.104 62.207 62.100 0.005 0.000 0.993 254 T CB 2.345 71.252 68.868 0.064 0.000 0.984 254 T HN 0.313 8.429 8.240 -0.206 0.000 0.442 255 D N 5.873 126.317 120.400 0.074 0.000 2.829 255 D HA 0.265 4.961 4.640 0.093 0.000 0.250 255 D C 0.832 177.149 176.300 0.028 0.000 1.304 255 D CA 1.607 55.641 54.000 0.057 0.000 1.197 255 D CB 1.106 41.912 40.800 0.009 0.000 1.501 255 D HN -0.188 8.216 8.370 0.056 0.000 0.424 256 T N 3.207 117.760 114.554 -0.001 0.000 2.665 256 T HA -0.425 3.892 4.350 -0.056 0.000 0.268 256 T C 1.773 176.454 174.700 -0.031 0.000 1.035 256 T CA 5.219 67.294 62.100 -0.041 0.000 1.151 256 T CB -0.218 68.604 68.868 -0.075 0.000 0.862 256 T HN -0.186 8.055 8.240 0.001 0.000 0.438 257 D N 0.921 121.328 120.400 0.011 0.000 2.133 257 D HA -0.233 4.408 4.640 0.002 0.000 0.195 257 D C 2.210 178.541 176.300 0.051 0.000 0.997 257 D CA 3.374 57.394 54.000 0.034 0.000 0.840 257 D CB -0.426 40.429 40.800 0.092 0.000 0.947 257 D HN -0.484 7.905 8.370 0.031 0.000 0.452 258 L N -1.461 119.803 121.223 0.069 0.000 2.056 258 L HA -0.276 4.113 4.340 0.082 0.000 0.207 258 L C 1.944 178.862 176.870 0.081 0.000 1.078 258 L CA 3.126 58.011 54.840 0.075 0.000 0.749 258 L CB -0.472 41.630 42.059 0.071 0.000 0.901 258 L HN -0.632 7.635 8.230 0.079 0.011 0.433 259 R N -0.999 119.519 120.500 0.031 0.000 2.066 259 R HA -0.334 4.025 4.340 0.031 0.000 0.232 259 R C 2.720 179.069 176.300 0.081 0.000 1.131 259 R CA 3.624 59.742 56.100 0.031 0.000 0.955 259 R CB -0.198 30.083 30.300 -0.032 0.000 0.851 259 R HN -0.742 7.534 8.270 0.010 0.000 0.432 260 I N -0.791 119.766 120.570 -0.021 0.000 2.226 260 I HA -0.473 3.570 4.170 -0.213 0.000 0.245 260 I C 1.622 177.788 176.117 0.082 0.000 1.100 260 I CA 3.756 64.984 61.300 -0.122 0.000 1.374 260 I CB -0.321 37.508 38.000 -0.284 0.000 1.057 260 I HN -0.259 7.923 8.210 -0.047 0.000 0.413 261 A N -0.171 122.713 122.820 0.108 0.000 1.902 261 A HA -0.316 4.087 4.320 0.139 0.000 0.217 261 A C 1.677 179.382 177.584 0.203 0.000 1.181 261 A CA 3.029 55.154 52.037 0.146 0.000 0.623 261 A CB -0.819 18.250 19.000 0.116 0.000 0.818 261 A HN -0.526 7.672 8.150 0.081 0.000 0.443 262 F N -0.027 119.976 119.950 0.087 0.000 2.084 262 F HA -0.268 4.468 4.527 0.110 -0.143 0.296 262 F C 1.476 177.377 175.800 0.169 0.000 1.111 262 F CA 3.243 61.309 58.000 0.111 0.000 1.224 262 F CB 1.050 40.095 39.000 0.076 0.000 0.991 262 F HN -0.698 7.819 8.300 0.362 0.000 0.471 263 I N -2.090 118.749 120.570 0.449 0.000 2.546 263 I HA -0.466 3.942 4.170 0.396 0.000 0.255 263 I C 1.798 178.105 176.117 0.316 0.000 1.163 263 I CA 0.996 62.536 61.300 0.400 0.000 1.457 263 I CB -1.677 36.576 38.000 0.422 0.000 1.092 263 I HN 0.006 8.485 8.210 0.448 0.000 0.434 264 A N 0.186 123.226 122.820 0.367 0.000 1.892 264 A HA -0.390 4.039 4.320 0.182 0.000 0.218 264 A C 1.750 179.391 177.584 0.094 0.000 1.188 264 A CA 3.800 55.990 52.037 0.255 0.000 0.631 264 A CB -0.933 18.246 19.000 0.298 0.000 0.822 264 A HN 0.061 8.450 8.150 0.399 0.000 0.447 265 E N -2.197 118.038 120.200 0.058 0.000 2.152 265 E HA -0.252 4.090 4.350 -0.013 0.000 0.192 265 E C 2.504 179.103 176.600 -0.000 0.000 0.983 265 E CA 2.199 58.591 56.400 -0.014 0.000 0.818 265 E CB -0.516 29.138 29.700 -0.077 0.000 0.758 265 E HN -0.640 7.758 8.360 0.063 0.000 0.467 266 V N 0.678 120.628 119.914 0.060 0.000 2.295 266 V HA -0.533 3.751 4.120 0.273 0.000 0.246 266 V C 1.906 178.127 176.094 0.211 0.000 1.049 266 V CA 4.593 67.022 62.300 0.214 0.000 1.024 266 V CB -0.344 31.653 31.823 0.291 0.000 0.648 266 V HN -0.703 7.517 8.190 0.051 0.000 0.447 267 R N -1.430 119.145 120.500 0.125 0.000 2.091 267 R HA -0.415 3.980 4.340 0.093 0.000 0.238 267 R C 2.137 178.453 176.300 0.027 0.000 1.136 267 R CA 3.983 60.121 56.100 0.063 0.000 0.959 267 R CB -0.412 29.866 30.300 -0.037 0.000 0.856 267 R HN -0.123 8.218 8.270 0.119 0.000 0.437 268 K N -0.400 119.997 120.400 -0.005 0.000 2.057 268 K HA -0.284 4.013 4.320 -0.039 0.000 0.207 268 K C 2.219 178.776 176.600 -0.072 0.000 1.049 268 K CA 3.277 59.541 56.287 -0.039 0.000 0.931 268 K CB -0.220 32.254 32.500 -0.044 0.000 0.714 268 K HN -0.562 7.688 8.250 0.001 0.000 0.440 269 V N -0.760 119.085 119.914 -0.116 0.000 2.358 269 V HA -0.487 3.467 4.120 -0.277 0.000 0.246 269 V C 1.595 177.553 176.094 -0.227 0.000 1.047 269 V CA 3.909 66.030 62.300 -0.299 0.000 1.035 269 V CB -0.094 31.335 31.823 -0.657 0.000 0.658 269 V HN -0.509 7.632 8.190 -0.082 0.000 0.452 270 A N -1.271 121.570 122.820 0.036 0.000 1.940 270 A HA -0.334 4.147 4.320 0.268 0.000 0.219 270 A C 2.320 179.940 177.584 0.059 0.000 1.176 270 A CA 3.134 55.285 52.037 0.189 0.000 0.631 270 A CB -0.565 18.598 19.000 0.271 0.000 0.814 270 A HN -0.054 8.175 8.150 0.131 0.000 0.446 271 N N -2.457 116.252 118.700 0.014 0.000 2.171 271 N HA -0.216 4.529 4.740 0.010 0.000 0.184 271 N C 1.732 177.228 175.510 -0.023 0.000 1.021 271 N CA 2.341 55.389 53.050 -0.004 0.000 0.854 271 N CB -0.185 38.292 38.487 -0.017 0.000 0.994 271 N HN -0.156 8.125 8.380 0.007 0.103 0.426 272 E N -2.997 117.171 120.200 -0.053 0.000 2.385 272 E HA -0.016 4.306 4.350 -0.047 0.000 0.194 272 E C -0.385 176.174 176.600 -0.069 0.000 1.013 272 E CA 1.139 57.501 56.400 -0.063 0.000 0.866 272 E CB 0.986 30.638 29.700 -0.080 0.000 0.832 272 E HN -0.567 7.751 8.360 -0.070 0.000 0.500 273 D N -1.026 119.326 120.400 -0.079 0.000 2.375 273 D HA 0.123 4.730 4.640 -0.054 0.000 0.241 273 D C -0.288 175.996 176.300 -0.026 0.000 1.361 273 D CA -0.917 53.040 54.000 -0.072 0.000 0.995 273 D CB 0.634 41.358 40.800 -0.126 0.000 1.312 273 D HN -0.675 7.645 8.370 -0.084 0.000 0.576 274 K N 4.705 125.110 120.400 0.010 0.000 2.365 274 K HA -0.068 4.297 4.320 0.075 0.000 0.199 274 K C 0.777 177.432 176.600 0.091 0.000 1.045 274 K CA 1.374 57.694 56.287 0.056 0.000 0.962 274 K CB -0.561 31.968 32.500 0.047 0.000 0.759 274 K HN 0.464 8.716 8.250 0.002 0.000 0.469 275 S N -1.975 113.756 115.700 0.052 0.000 2.593 275 S HA 0.006 4.571 4.470 0.158 0.000 0.217 275 S C -0.070 174.524 174.600 -0.009 0.000 0.966 275 S CA -0.049 58.194 58.200 0.072 0.000 0.914 275 S CB 0.131 63.340 63.200 0.014 0.000 0.776 275 S HN -0.431 8.101 8.310 0.014 -0.214 0.523 276 Q N 3.082 122.872 119.800 -0.017 0.000 2.294 276 Q HA -0.056 4.105 4.340 -0.298 0.000 0.257 276 Q C -0.823 175.269 176.000 0.153 0.000 0.955 276 Q CA 0.098 55.826 55.803 -0.125 0.000 0.936 276 Q CB -0.014 28.590 28.738 -0.224 0.000 1.188 276 Q HN -0.900 7.321 8.270 0.020 0.060 0.420 277 F N 1.000 121.047 119.950 0.163 0.000 2.859 277 F HA 0.332 5.068 4.527 0.349 0.000 0.324 277 F C -1.368 174.525 175.800 0.154 0.000 1.158 277 F CA -2.198 55.926 58.000 0.207 0.000 1.147 277 F CB 0.698 39.757 39.000 0.098 0.000 1.137 277 F HN 0.003 7.891 8.300 -0.686 0.000 0.516 278 D N 3.417 123.861 120.400 0.073 0.000 2.339 278 D HA -0.011 4.707 4.640 0.130 0.000 0.256 278 D C 0.713 177.108 176.300 0.158 0.000 1.214 278 D CA -0.104 53.949 54.000 0.087 0.000 0.877 278 D CB 1.058 41.838 40.800 -0.035 0.000 1.111 278 D HN -0.501 8.088 8.370 -0.095 -0.276 0.478 279 L N 5.711 127.017 121.223 0.137 0.000 2.079 279 L HA -0.380 3.894 4.340 -0.109 0.000 0.210 279 L C 1.568 178.421 176.870 -0.028 0.000 1.081 279 L CA 3.052 57.901 54.840 0.017 0.000 0.752 279 L CB 0.090 42.256 42.059 0.180 0.000 0.896 279 L HN 0.561 8.880 8.230 0.149 0.000 0.433 280 R N -2.461 118.098 120.500 0.099 0.000 2.127 280 R HA -0.420 4.043 4.340 0.205 0.000 0.238 280 R C 2.371 178.685 176.300 0.024 0.000 1.134 280 R CA 3.572 59.742 56.100 0.116 0.000 0.975 280 R CB -0.527 29.838 30.300 0.107 0.000 0.865 280 R HN -0.400 8.142 8.270 0.113 -0.204 0.447 281 K N -1.769 118.602 120.400 -0.047 0.000 2.211 281 K HA -0.203 4.039 4.320 -0.129 0.000 0.203 281 K C 1.540 177.968 176.600 -0.287 0.000 1.050 281 K CA 2.031 58.218 56.287 -0.167 0.000 0.945 281 K CB -0.590 31.765 32.500 -0.243 0.000 0.732 281 K HN -0.578 7.542 8.250 -0.024 0.116 0.451 282 F N -2.457 117.290 119.950 -0.338 0.000 2.149 282 F HA -0.247 4.107 4.527 -0.290 0.000 0.294 282 F C 1.753 177.363 175.800 -0.317 0.000 1.095 282 F CA 3.894 61.627 58.000 -0.445 0.000 1.276 282 F CB 0.462 38.964 39.000 -0.831 0.000 1.023 282 F HN -0.718 7.464 8.300 -0.042 0.093 0.480 283 F N -4.243 115.800 119.950 0.154 0.000 2.754 283 F HA 0.022 4.475 4.527 -0.124 0.000 0.297 283 F C 1.681 177.487 175.800 0.010 0.000 1.122 283 F CA -0.638 57.391 58.000 0.049 0.000 1.400 283 F CB -0.777 38.355 39.000 0.219 0.000 1.117 283 F HN -0.244 7.996 8.300 -0.100 0.000 0.587 284 S N 1.031 116.823 115.700 0.153 0.000 2.345 284 S HA -0.021 4.529 4.470 0.132 0.000 0.220 284 S C -0.779 173.837 174.600 0.027 0.000 1.031 284 S CA 5.152 63.409 58.200 0.095 0.000 0.996 284 S CB -2.657 60.581 63.200 0.062 0.000 0.882 284 S HN -0.073 8.304 8.310 0.112 0.000 0.445 285 P HA -0.100 4.299 4.420 -0.034 0.000 0.218 285 P C 0.548 177.799 177.300 -0.082 0.000 1.149 285 P CA 2.206 65.275 63.100 -0.052 0.000 0.817 285 P CB -0.653 30.998 31.700 -0.081 0.000 0.785 286 A N -2.293 120.421 122.820 -0.176 0.000 1.902 286 A HA -0.292 3.827 4.320 -0.335 0.000 0.217 286 A C 2.149 179.632 177.584 -0.167 0.000 1.181 286 A CA 3.015 54.790 52.037 -0.436 0.000 0.623 286 A CB -0.748 17.470 19.000 -1.303 0.000 0.818 286 A HN -0.629 7.418 8.150 -0.154 0.011 0.443 287 Q N -1.355 118.450 119.800 0.008 0.000 2.084 287 Q HA -0.351 4.144 4.340 0.259 0.000 0.202 287 Q C 2.461 178.504 176.000 0.071 0.000 0.978 287 Q CA 3.087 58.976 55.803 0.144 0.000 0.844 287 Q CB -0.052 28.760 28.738 0.123 0.000 0.898 287 Q HN -0.408 7.866 8.270 0.006 0.000 0.426 288 L N -0.363 120.879 121.223 0.032 0.000 2.046 288 L HA -0.313 4.036 4.340 0.015 0.000 0.208 288 L C 1.026 177.905 176.870 0.016 0.000 1.077 288 L CA 3.022 57.871 54.840 0.016 0.000 0.747 288 L CB -0.531 41.531 42.059 0.006 0.000 0.896 288 L HN -0.559 7.683 8.230 0.021 0.000 0.432 289 A N -1.527 121.305 122.820 0.020 0.000 1.930 289 A HA -0.330 4.006 4.320 0.026 0.000 0.217 289 A C 1.866 179.483 177.584 0.054 0.000 1.175 289 A CA 3.110 55.167 52.037 0.034 0.000 0.627 289 A CB -0.723 18.299 19.000 0.037 0.000 0.815 289 A HN -0.395 7.760 8.150 0.008 0.000 0.443 290 L N -1.150 120.129 121.223 0.094 0.000 2.027 290 L HA -0.410 3.985 4.340 0.092 0.000 0.206 290 L C 1.482 178.348 176.870 -0.007 0.000 1.074 290 L CA 2.908 57.804 54.840 0.093 0.000 0.745 290 L CB -0.140 42.037 42.059 0.197 0.000 0.898 290 L HN -0.396 7.903 8.230 0.116 0.000 0.433 291 K N -0.839 119.551 120.400 -0.016 0.000 2.063 291 K HA -0.443 3.804 4.320 -0.121 0.000 0.208 291 K C 2.135 178.686 176.600 -0.081 0.000 1.048 291 K CA 3.444 59.687 56.287 -0.073 0.000 0.928 291 K CB -0.324 32.148 32.500 -0.048 0.000 0.713 291 K HN 0.226 8.485 8.250 0.015 0.000 0.442 292 N N -1.385 117.291 118.700 -0.039 0.000 2.188 292 N HA -0.197 4.516 4.740 -0.044 0.000 0.184 292 N C 2.352 177.842 175.510 -0.033 0.000 1.018 292 N CA 2.715 55.745 53.050 -0.033 0.000 0.858 292 N CB -0.304 38.178 38.487 -0.008 0.000 0.989 292 N HN -0.482 7.886 8.380 -0.018 0.000 0.426 293 V N 0.947 120.851 119.914 -0.017 0.000 2.343 293 V HA -0.474 3.664 4.120 0.030 0.000 0.247 293 V C 1.548 177.615 176.094 -0.044 0.000 1.051 293 V CA 4.465 66.768 62.300 0.005 0.000 1.036 293 V CB -0.017 31.830 31.823 0.041 0.000 0.654 293 V HN -0.623 7.562 8.190 -0.008 0.000 0.451 294 V N 0.122 119.940 119.914 -0.160 0.000 2.307 294 V HA -0.601 3.294 4.120 -0.375 0.000 0.245 294 V C 1.651 177.620 176.094 -0.209 0.000 1.045 294 V CA 4.652 66.737 62.300 -0.358 0.000 1.024 294 V CB -0.377 31.054 31.823 -0.654 0.000 0.651 294 V HN -0.513 7.579 8.190 -0.164 0.000 0.449 295 K N -0.287 120.018 120.400 -0.158 0.000 2.009 295 K HA -0.360 3.890 4.320 -0.118 0.000 0.210 295 K C 2.564 179.116 176.600 -0.081 0.000 1.049 295 K CA 3.697 59.918 56.287 -0.110 0.000 0.929 295 K CB -0.267 32.178 32.500 -0.090 0.000 0.714 295 K HN -0.111 8.048 8.250 -0.153 0.000 0.440 296 E N -1.899 118.255 120.200 -0.076 0.000 2.118 296 E HA -0.300 3.985 4.350 -0.107 0.000 0.195 296 E C 2.760 179.292 176.600 -0.113 0.000 0.992 296 E CA 2.669 59.008 56.400 -0.102 0.000 0.804 296 E CB -0.442 29.195 29.700 -0.104 0.000 0.741 296 E HN -0.450 7.869 8.360 -0.069 0.000 0.458 297 R N -0.329 120.149 120.500 -0.038 0.000 2.092 297 R HA -0.168 4.153 4.340 -0.031 0.000 0.231 297 R C 2.468 178.799 176.300 0.052 0.000 1.119 297 R CA 2.043 58.164 56.100 0.035 0.000 0.970 297 R CB -0.558 29.870 30.300 0.214 0.000 0.864 297 R HN -0.527 7.631 8.270 -0.019 0.101 0.440 298 M N -0.593 119.038 119.600 0.052 0.000 2.175 298 M HA -0.363 4.168 4.480 0.086 0.000 0.264 298 M C 2.217 178.502 176.300 -0.024 0.000 1.063 298 M CA 4.189 59.513 55.300 0.039 0.000 1.119 298 M CB -0.051 32.553 32.600 0.006 0.000 1.377 298 M HN -0.291 8.016 8.290 0.028 0.000 0.415 299 K N -1.373 118.994 120.400 -0.055 0.000 2.057 299 K HA -0.355 3.921 4.320 -0.072 0.000 0.207 299 K C 2.743 179.297 176.600 -0.076 0.000 1.049 299 K CA 3.116 59.358 56.287 -0.074 0.000 0.931 299 K CB -0.130 32.318 32.500 -0.086 0.000 0.714 299 K HN -0.622 7.591 8.250 -0.061 0.000 0.440 300 L N -1.007 120.157 121.223 -0.099 0.000 2.046 300 L HA -0.279 3.994 4.340 -0.112 0.000 0.208 300 L C 1.119 177.969 176.870 -0.034 0.000 1.077 300 L CA 2.739 57.516 54.840 -0.106 0.000 0.747 300 L CB 0.083 42.023 42.059 -0.199 0.000 0.896 300 L HN -0.609 7.554 8.230 -0.112 0.000 0.432 301 L N -6.672 114.549 121.223 -0.004 0.000 2.418 301 L HA -0.084 4.279 4.340 0.039 0.000 0.218 301 L C 0.464 177.365 176.870 0.051 0.000 1.125 301 L CA 0.538 55.399 54.840 0.035 0.000 0.835 301 L CB 0.342 42.431 42.059 0.050 0.000 0.953 301 L HN -0.360 7.867 8.230 -0.004 0.000 0.454 302 G N -2.819 105.981 108.800 -0.001 0.000 2.131 302 G HA2 -0.398 3.520 3.960 -0.069 0.000 0.223 302 G HA3 -0.398 3.566 3.960 0.007 0.000 0.223 302 G C -0.218 174.564 174.900 -0.198 0.000 0.990 302 G CA 0.550 45.623 45.100 -0.044 0.000 0.671 302 G HN -0.438 7.811 8.290 -0.022 0.028 0.521 303 S N -1.406 114.198 115.700 -0.160 0.000 2.548 303 S HA -0.014 4.035 4.470 -0.701 0.000 0.215 303 S C 0.298 174.752 174.600 -0.244 0.000 0.976 303 S CA -0.600 57.418 58.200 -0.303 0.000 0.908 303 S CB 0.627 63.804 63.200 -0.037 0.000 0.781 303 S HN -0.336 7.934 8.310 -0.066 0.000 0.519 304 A N 2.345 125.067 122.820 -0.163 0.000 2.546 304 A HA -0.273 4.116 4.320 -0.108 -0.134 0.243 304 A C 0.028 177.521 177.584 -0.151 0.000 1.063 304 A CA 1.055 53.016 52.037 -0.128 0.000 0.757 304 A CB -0.303 18.640 19.000 -0.095 0.000 0.991 304 A HN -0.880 7.189 8.150 -0.136 0.000 0.503 305 N N 0.324 118.956 118.700 -0.115 0.000 2.776 305 N HA -0.307 4.434 4.740 -0.068 -0.042 0.250 305 N C -0.230 175.205 175.510 -0.125 0.000 1.112 305 N CA 2.034 55.026 53.050 -0.096 0.000 0.733 305 N CB -1.598 36.840 38.487 -0.082 0.000 1.097 305 N HN 0.232 8.461 8.380 -0.095 0.094 0.558 306 K N -4.666 115.630 120.400 -0.173 0.000 2.358 306 K HA 0.192 4.405 4.320 -0.178 0.000 0.197 306 K C 0.038 176.597 176.600 -0.067 0.000 1.025 306 K CA -1.588 54.580 56.287 -0.200 0.000 1.104 306 K CB 0.485 32.689 32.500 -0.494 0.000 0.855 306 K HN -0.589 7.529 8.250 -0.175 0.027 0.531 307 I N 0.000 120.548 120.570 -0.036 0.000 2.984 307 I HA 0.000 4.180 4.170 0.017 0.000 0.288 307 I CA 0.000 61.306 61.300 0.011 0.000 1.566 307 I CB 0.000 38.023 38.000 0.038 0.000 1.214 307 I HN 0.000 8.183 8.210 -0.046 0.000 0.494