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 3n9s_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLVKGNEILL KAHKEGYGVG AFNFVNFEML NAIFEAGNEE NSPLFIQASE DATA SEQUENCE GAIKYMGIDM AVGMVKIMCE RYPHIPVALH LDHGTTFESC EKAVKAGFTS DATA SEQUENCE VMIDASHHAF EENLELTSKV VKMAHNAGVS VEAELGRLMG IEDNISVDEK DATA SEQUENCE DAVLVNPKEA 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 4.500 4.480 0.034 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 L N 3.315 124.544 121.223 0.009 0.000 2.477 2 L HA 0.319 4.829 4.340 -0.024 -0.184 0.272 2 L C -0.669 176.190 176.870 -0.019 0.000 1.157 2 L CA 0.484 55.317 54.840 -0.012 0.000 0.889 2 L CB -0.095 41.958 42.059 -0.010 0.000 1.158 2 L HN 0.090 8.329 8.230 0.015 0.000 0.473 3 V N 0.709 120.597 119.914 -0.043 0.000 3.159 3 V HA 0.522 4.637 4.120 -0.008 0.000 0.308 3 V C -2.047 174.027 176.094 -0.034 0.000 1.190 3 V CA -3.015 59.270 62.300 -0.026 0.000 1.037 3 V CB 4.122 35.935 31.823 -0.017 0.000 1.060 3 V HN 0.821 8.967 8.190 -0.073 0.000 0.437 4 K N -0.384 120.021 120.400 0.010 0.000 2.414 4 K HA -0.048 4.446 4.320 0.053 -0.142 0.272 4 K C 1.434 178.071 176.600 0.062 0.000 0.993 4 K CA 0.259 56.575 56.287 0.050 0.000 0.964 4 K CB -0.286 32.258 32.500 0.073 0.000 0.925 4 K HN 0.182 8.443 8.250 0.018 0.000 0.487 5 G N 2.400 111.286 108.800 0.142 0.000 2.422 5 G HA2 -0.356 3.519 3.960 -0.142 0.000 0.218 5 G HA3 -0.356 3.910 3.960 0.509 0.000 0.218 5 G C 0.437 175.545 174.900 0.346 0.000 1.146 5 G CA 2.024 47.260 45.100 0.226 0.000 0.769 5 G HN 0.358 8.769 8.290 0.203 0.000 0.547 6 N N 0.112 119.042 118.700 0.385 0.000 2.381 6 N HA -0.266 4.688 4.740 0.356 0.000 0.182 6 N C 1.877 177.479 175.510 0.154 0.000 1.025 6 N CA 2.657 55.903 53.050 0.326 0.000 0.888 6 N CB 0.136 38.818 38.487 0.325 0.000 0.965 6 N HN -0.337 8.251 8.380 0.371 0.015 0.438 7 E N -0.135 120.134 120.200 0.114 0.000 2.106 7 E HA -0.290 4.100 4.350 0.067 0.000 0.192 7 E C 2.162 178.805 176.600 0.072 0.000 0.984 7 E CA 2.598 59.042 56.400 0.073 0.000 0.806 7 E CB -0.108 29.622 29.700 0.050 0.000 0.750 7 E HN -0.529 7.878 8.360 0.115 0.023 0.458 8 I N -0.398 120.225 120.570 0.088 0.000 2.233 8 I HA -0.436 3.790 4.170 0.094 0.000 0.243 8 I C 1.541 177.698 176.117 0.067 0.000 1.093 8 I CA 3.660 65.024 61.300 0.106 0.000 1.380 8 I CB 0.271 38.365 38.000 0.157 0.000 1.067 8 I HN -0.744 7.523 8.210 0.095 0.000 0.413 9 L N -1.756 119.487 121.223 0.033 0.000 2.240 9 L HA -0.264 3.985 4.340 -0.152 0.000 0.211 9 L C 2.306 179.139 176.870 -0.062 0.000 1.106 9 L CA 2.406 57.177 54.840 -0.114 0.000 0.793 9 L CB -0.481 41.372 42.059 -0.343 0.000 0.927 9 L HN -0.479 7.796 8.230 0.075 0.000 0.446 10 L N -1.816 119.413 121.223 0.009 0.000 2.083 10 L HA -0.431 3.943 4.340 0.056 0.000 0.209 10 L C 1.855 178.752 176.870 0.045 0.000 1.083 10 L CA 3.214 58.082 54.840 0.047 0.000 0.752 10 L CB -0.699 41.395 42.059 0.058 0.000 0.899 10 L HN -0.090 8.160 8.230 0.034 0.000 0.433 11 K N -0.703 119.704 120.400 0.012 0.000 2.057 11 K HA -0.402 3.935 4.320 0.027 0.000 0.206 11 K C 1.786 178.283 176.600 -0.171 0.000 1.050 11 K CA 3.294 59.583 56.287 0.002 0.000 0.935 11 K CB -0.232 32.316 32.500 0.079 0.000 0.715 11 K HN -0.718 7.546 8.250 0.023 0.000 0.439 12 A N -2.213 120.379 122.820 -0.379 0.000 1.902 12 A HA -0.313 2.820 4.320 -1.978 0.000 0.217 12 A C 1.688 178.970 177.584 -0.503 0.000 1.181 12 A CA 3.090 54.554 52.037 -0.955 0.000 0.623 12 A CB -0.708 17.854 19.000 -0.729 0.000 0.818 12 A HN -0.544 7.386 8.150 -0.250 0.070 0.443 13 H N 0.136 119.025 119.070 -0.301 0.000 2.321 13 H HA -0.285 4.166 4.556 -0.174 0.000 0.300 13 H C 1.967 177.221 175.328 -0.124 0.000 1.087 13 H CA 3.401 59.345 56.048 -0.174 0.000 1.319 13 H CB 0.089 29.791 29.762 -0.101 0.000 1.379 13 H HN -0.116 8.135 8.280 -0.049 0.000 0.501 14 K N -1.576 118.724 120.400 -0.167 0.000 2.097 14 K HA -0.189 3.968 4.320 -0.272 0.000 0.205 14 K C 1.907 178.427 176.600 -0.135 0.000 1.050 14 K CA 2.342 58.528 56.287 -0.168 0.000 0.938 14 K CB 0.128 32.616 32.500 -0.020 0.000 0.718 14 K HN -0.505 7.730 8.250 -0.026 0.000 0.442 15 E N -4.169 115.969 120.200 -0.104 0.000 2.472 15 E HA 0.059 4.417 4.350 0.013 0.000 0.196 15 E C -0.224 176.385 176.600 0.014 0.000 1.033 15 E CA -0.451 55.955 56.400 0.010 0.000 0.886 15 E CB 0.629 30.445 29.700 0.193 0.000 0.944 15 E HN -0.635 7.635 8.360 -0.150 0.000 0.492 16 G N -0.323 108.406 108.800 -0.119 0.000 2.289 16 G HA2 -0.308 3.574 3.960 -0.130 0.000 0.280 16 G HA3 -0.308 3.624 3.960 -0.047 0.000 0.280 16 G C -1.052 173.861 174.900 0.022 0.000 1.089 16 G CA 0.635 45.687 45.100 -0.080 0.000 0.939 16 G HN -0.226 7.900 8.290 -0.209 0.039 0.499 17 Y N -4.891 115.390 120.300 -0.032 0.000 2.665 17 Y HA 0.409 4.941 4.550 -0.029 0.000 0.336 17 Y C -1.943 173.938 175.900 -0.032 0.000 1.085 17 Y CA -3.001 55.082 58.100 -0.028 0.000 1.096 17 Y CB 1.483 39.929 38.460 -0.024 0.000 1.301 17 Y HN -0.766 7.239 8.280 -0.458 0.000 0.493 18 G N -1.852 107.053 108.800 0.175 0.000 2.420 18 G HA2 0.461 4.529 3.960 -0.053 0.000 0.331 18 G HA3 0.461 4.436 3.960 0.024 0.000 0.331 18 G C -2.593 172.382 174.900 0.125 0.000 1.168 18 G CA -1.536 43.594 45.100 0.050 0.000 0.936 18 G HN -0.003 8.430 8.290 0.237 0.000 0.479 19 V N 1.368 121.280 119.914 -0.003 0.000 2.409 19 V HA 0.233 4.417 4.120 0.108 0.000 0.291 19 V C -0.366 175.643 176.094 -0.142 0.000 1.020 19 V CA -1.721 60.589 62.300 0.017 0.000 0.848 19 V CB 2.916 34.764 31.823 0.042 0.000 0.990 19 V HN 0.268 8.283 8.190 -0.103 0.113 0.430 20 G N 5.557 114.278 108.800 -0.131 0.000 2.380 20 G HA2 0.003 3.762 3.960 -0.590 0.000 0.242 20 G HA3 0.003 3.520 3.960 -0.737 0.000 0.242 20 G C -1.993 172.424 174.900 -0.805 0.000 1.298 20 G CA -0.230 44.508 45.100 -0.604 0.000 0.878 20 G HN 0.486 8.790 8.290 0.023 0.000 0.542 21 A N 5.036 127.319 122.820 -0.895 0.000 2.267 21 A HA 0.772 5.147 4.320 -0.232 -0.194 0.315 21 A C -2.119 175.131 177.584 -0.556 0.000 1.297 21 A CA -1.895 49.840 52.037 -0.504 0.000 0.865 21 A CB 2.065 20.828 19.000 -0.395 0.000 1.165 21 A HN 0.138 7.676 8.150 -0.850 0.103 0.513 22 F N 3.003 122.995 119.950 0.070 0.000 2.458 22 F HA 0.762 5.538 4.527 0.045 -0.222 0.336 22 F C -0.196 175.687 175.800 0.138 0.000 1.114 22 F CA -2.077 55.963 58.000 0.067 0.000 0.987 22 F CB 2.661 41.681 39.000 0.033 0.000 1.130 22 F HN 0.319 8.695 8.300 0.128 0.000 0.458 23 N N 2.607 121.468 118.700 0.268 0.000 2.524 23 N HA 0.653 5.783 4.740 0.272 -0.227 0.283 23 N C -0.543 175.135 175.510 0.280 0.000 1.142 23 N CA 0.235 53.421 53.050 0.227 0.000 0.984 23 N CB 1.914 40.454 38.487 0.089 0.000 1.155 23 N HN -0.204 8.310 8.380 0.224 0.000 0.467 24 F N -1.845 118.145 119.950 0.067 0.000 2.599 24 F HA 0.493 5.004 4.527 -0.026 0.000 0.311 24 F C -1.766 174.041 175.800 0.012 0.000 1.076 24 F CA -1.927 56.085 58.000 0.020 0.000 0.937 24 F CB 3.230 42.260 39.000 0.049 0.000 1.282 24 F HN -0.155 8.252 8.300 0.179 0.000 0.460 25 V N -6.316 113.534 119.914 -0.106 0.000 3.451 25 V HA 0.208 4.157 4.120 -0.285 0.000 0.288 25 V C -1.979 174.169 176.094 0.089 0.000 1.502 25 V CA -0.540 61.658 62.300 -0.170 0.000 1.026 25 V CB 1.395 33.040 31.823 -0.297 0.000 0.840 25 V HN -0.220 7.975 8.190 0.009 0.000 0.437 26 N N -3.257 115.573 118.700 0.217 0.000 3.308 26 N HA 0.032 4.966 4.740 0.323 0.000 0.276 26 N C -1.144 174.537 175.510 0.285 0.000 1.533 26 N CA -0.967 52.245 53.050 0.270 0.000 0.878 26 N CB 0.704 39.294 38.487 0.173 0.000 1.566 26 N HN -0.913 7.620 8.380 0.256 0.000 0.546 27 F N 0.492 120.514 119.950 0.119 0.000 2.102 27 F HA -0.187 4.384 4.527 0.073 0.000 0.298 27 F C 1.133 176.976 175.800 0.072 0.000 1.105 27 F CA 3.849 61.897 58.000 0.080 0.000 1.239 27 F CB 0.261 39.297 39.000 0.060 0.000 0.991 27 F HN 0.367 8.891 8.300 0.373 0.000 0.474 28 E N -1.280 118.828 120.200 -0.154 0.000 2.077 28 E HA -0.358 3.737 4.350 -0.427 0.000 0.193 28 E C 2.655 179.161 176.600 -0.157 0.000 0.989 28 E CA 3.933 60.212 56.400 -0.202 0.000 0.800 28 E CB -0.626 29.156 29.700 0.137 0.000 0.746 28 E HN 0.206 8.676 8.360 0.063 -0.071 0.452 29 M N -0.956 118.567 119.600 -0.127 0.000 2.086 29 M HA -0.371 4.078 4.480 -0.052 0.000 0.261 29 M C 2.252 178.519 176.300 -0.055 0.000 1.067 29 M CA 4.089 59.345 55.300 -0.073 0.000 1.116 29 M CB 0.070 32.641 32.600 -0.049 0.000 1.348 29 M HN -0.605 7.867 8.290 -0.136 -0.263 0.407 30 L N -0.841 120.330 121.223 -0.087 0.000 2.012 30 L HA -0.457 3.787 4.340 -0.160 0.000 0.210 30 L C 1.596 178.393 176.870 -0.122 0.000 1.073 30 L CA 3.528 58.263 54.840 -0.175 0.000 0.748 30 L CB -0.457 41.409 42.059 -0.321 0.000 0.891 30 L HN -0.521 7.683 8.230 -0.044 0.000 0.431 31 N N -1.387 117.102 118.700 -0.351 0.000 2.069 31 N HA -0.405 4.231 4.740 -0.174 0.000 0.191 31 N C 1.682 177.132 175.510 -0.099 0.000 1.031 31 N CA 3.154 56.025 53.050 -0.298 0.000 0.852 31 N CB -0.188 37.890 38.487 -0.682 0.000 1.018 31 N HN -0.109 7.935 8.380 -0.560 0.000 0.423 32 A N -0.706 122.048 122.820 -0.111 0.000 1.930 32 A HA -0.261 4.030 4.320 -0.049 0.000 0.217 32 A C 2.256 179.780 177.584 -0.100 0.000 1.175 32 A CA 2.983 54.983 52.037 -0.062 0.000 0.627 32 A CB -0.444 18.550 19.000 -0.011 0.000 0.815 32 A HN -0.613 7.451 8.150 -0.144 0.000 0.443 33 I N -1.277 119.228 120.570 -0.109 0.000 2.202 33 I HA -0.567 3.398 4.170 -0.341 0.000 0.242 33 I C 1.750 177.730 176.117 -0.229 0.000 1.091 33 I CA 4.416 65.584 61.300 -0.221 0.000 1.368 33 I CB -0.050 37.849 38.000 -0.167 0.000 1.058 33 I HN -0.562 7.602 8.210 -0.076 0.000 0.410 34 F N -0.179 119.636 119.950 -0.226 0.000 2.102 34 F HA -0.503 3.863 4.527 -0.269 0.000 0.298 34 F C 2.192 177.745 175.800 -0.412 0.000 1.105 34 F CA 4.872 62.709 58.000 -0.273 0.000 1.239 34 F CB -0.195 38.712 39.000 -0.154 0.000 0.991 34 F HN -0.425 8.001 8.300 0.211 0.000 0.474 35 E N -1.544 118.587 120.200 -0.115 0.000 2.118 35 E HA -0.525 3.651 4.350 -0.289 0.000 0.195 35 E C 1.958 178.445 176.600 -0.190 0.000 0.992 35 E CA 3.069 59.364 56.400 -0.174 0.000 0.804 35 E CB -0.360 29.317 29.700 -0.039 0.000 0.741 35 E HN -0.014 8.336 8.360 -0.017 0.000 0.458 36 A N -0.839 121.867 122.820 -0.191 0.000 1.902 36 A HA -0.212 4.015 4.320 -0.154 0.000 0.217 36 A C 1.917 179.376 177.584 -0.207 0.000 1.181 36 A CA 2.959 54.878 52.037 -0.196 0.000 0.623 36 A CB -0.684 18.162 19.000 -0.257 0.000 0.818 36 A HN -0.452 7.579 8.150 -0.189 0.006 0.443 37 G N -1.965 106.676 108.800 -0.266 0.000 2.422 37 G HA2 -0.426 3.419 3.960 -0.191 0.000 0.218 37 G HA3 -0.426 3.349 3.960 -0.308 0.000 0.218 37 G C 1.272 176.049 174.900 -0.204 0.000 1.146 37 G CA 1.818 46.770 45.100 -0.247 0.000 0.769 37 G HN -0.214 7.892 8.290 -0.307 0.000 0.547 38 N N 1.670 120.203 118.700 -0.278 0.000 2.142 38 N HA -0.189 4.531 4.740 -0.034 0.000 0.186 38 N C 2.584 178.064 175.510 -0.050 0.000 1.023 38 N CA 2.518 55.468 53.050 -0.166 0.000 0.852 38 N CB 0.224 38.475 38.487 -0.393 0.000 0.998 38 N HN -0.142 8.015 8.380 -0.371 0.000 0.424 39 E N -0.839 119.309 120.200 -0.086 0.000 2.158 39 E HA -0.116 4.218 4.350 -0.027 0.000 0.191 39 E C 1.506 178.077 176.600 -0.049 0.000 0.982 39 E CA 2.252 58.622 56.400 -0.049 0.000 0.823 39 E CB 0.351 30.019 29.700 -0.053 0.000 0.766 39 E HN -0.396 7.890 8.360 -0.124 0.000 0.468 40 E N -3.804 116.355 120.200 -0.068 0.000 2.489 40 E HA 0.049 4.364 4.350 -0.058 0.000 0.193 40 E C -0.792 175.775 176.600 -0.054 0.000 1.057 40 E CA -1.122 55.240 56.400 -0.064 0.000 0.866 40 E CB -0.058 29.596 29.700 -0.077 0.000 0.916 40 E HN -0.463 7.844 8.360 -0.087 0.000 0.500 41 N N -3.017 115.662 118.700 -0.035 0.000 2.696 41 N HA -0.406 4.396 4.740 0.035 -0.041 0.256 41 N C -1.998 173.493 175.510 -0.032 0.000 1.031 41 N CA 1.344 54.390 53.050 -0.006 0.000 0.730 41 N CB -1.580 36.903 38.487 -0.007 0.000 0.894 41 N HN -0.370 7.821 8.380 -0.032 0.170 0.544 42 S N -0.897 114.773 115.700 -0.051 0.000 2.526 42 S HA 0.707 5.267 4.470 -0.060 -0.125 0.293 42 S C -2.466 172.106 174.600 -0.046 0.000 1.092 42 S CA -3.458 54.709 58.200 -0.054 0.000 0.980 42 S CB 2.609 65.779 63.200 -0.050 0.000 1.048 42 S HN -0.466 7.806 8.310 -0.063 0.000 0.483 43 P HA 0.085 4.613 4.420 -0.032 -0.127 0.273 43 P C -2.134 175.180 177.300 0.023 0.000 1.250 43 P CA -0.331 62.775 63.100 0.008 0.000 0.793 43 P CB 1.057 32.808 31.700 0.085 0.000 1.011 44 L N -2.332 118.889 121.223 -0.003 0.000 2.482 44 L HA 0.270 4.687 4.340 0.128 0.000 0.263 44 L C -1.884 175.014 176.870 0.048 0.000 0.957 44 L CA -0.955 53.895 54.840 0.017 0.000 0.836 44 L CB 4.355 46.284 42.059 -0.217 0.000 1.324 44 L HN -0.231 7.980 8.230 -0.032 0.000 0.406 45 F N 4.339 124.254 119.950 -0.058 0.000 2.404 45 F HA 0.389 5.041 4.527 -0.040 -0.149 0.354 45 F C -1.156 174.655 175.800 0.019 0.000 1.122 45 F CA -0.791 57.173 58.000 -0.059 0.000 1.080 45 F CB 2.528 41.433 39.000 -0.158 0.000 1.131 45 F HN -0.018 8.467 8.300 0.309 0.000 0.471 46 I N 5.480 126.125 120.570 0.125 0.000 2.339 46 I HA 0.509 4.976 4.170 0.262 -0.140 0.290 46 I C -2.581 173.752 176.117 0.359 0.000 0.994 46 I CA -2.636 58.788 61.300 0.206 0.000 1.191 46 I CB 2.921 40.955 38.000 0.056 0.000 1.343 46 I HN 0.516 8.728 8.210 0.003 0.000 0.458 47 Q N 7.539 127.609 119.800 0.450 0.000 2.387 47 Q HA 0.934 5.747 4.340 0.511 -0.167 0.273 47 Q C -1.888 174.332 176.000 0.367 0.000 1.089 47 Q CA -3.025 53.054 55.803 0.461 0.000 0.824 47 Q CB 3.964 32.955 28.738 0.422 0.000 1.367 47 Q HN 0.351 8.884 8.270 0.438 0.000 0.443 48 A N 1.109 124.106 122.820 0.295 0.000 2.374 48 A HA 0.696 4.950 4.320 -0.110 0.000 0.305 48 A C -1.141 176.494 177.584 0.085 0.000 1.053 48 A CA -1.341 50.720 52.037 0.040 0.000 0.726 48 A CB 2.989 21.957 19.000 -0.054 0.000 1.229 48 A HN 0.044 8.441 8.150 0.411 0.000 0.431 49 S N 4.175 119.885 115.700 0.017 0.000 2.617 49 S HA 0.260 4.973 4.470 0.066 -0.204 0.259 49 S C 1.219 175.817 174.600 -0.003 0.000 1.301 49 S CA -1.199 57.019 58.200 0.031 0.000 0.984 49 S CB 1.499 64.709 63.200 0.016 0.000 0.954 49 S HN 0.279 8.574 8.310 -0.025 0.000 0.572 50 E N 0.889 121.088 120.200 -0.002 0.000 2.110 50 E HA -0.392 3.937 4.350 -0.035 0.000 0.193 50 E C 2.666 179.261 176.600 -0.007 0.000 0.988 50 E CA 3.266 59.655 56.400 -0.018 0.000 0.804 50 E CB -0.298 29.394 29.700 -0.014 0.000 0.745 50 E HN 0.749 9.120 8.360 0.018 0.000 0.458 51 G N -1.478 107.316 108.800 -0.010 0.000 2.432 51 G HA2 -0.177 3.788 3.960 0.008 0.000 0.219 51 G HA3 -0.177 3.772 3.960 -0.019 0.000 0.219 51 G C 0.771 175.675 174.900 0.007 0.000 1.135 51 G CA 1.360 46.457 45.100 -0.005 0.000 0.767 51 G HN 0.133 8.415 8.290 -0.013 0.000 0.550 52 A N 1.670 124.472 122.820 -0.030 0.000 1.929 52 A HA -0.225 4.078 4.320 -0.028 0.000 0.216 52 A C 1.579 179.170 177.584 0.011 0.000 1.176 52 A CA 2.472 54.480 52.037 -0.049 0.000 0.628 52 A CB -0.290 18.604 19.000 -0.175 0.000 0.816 52 A HN -0.514 7.518 8.150 -0.043 0.092 0.444 53 I N -0.863 119.711 120.570 0.007 0.000 2.226 53 I HA -0.596 3.607 4.170 0.055 0.000 0.245 53 I C 1.450 177.596 176.117 0.048 0.000 1.100 53 I CA 4.200 65.525 61.300 0.041 0.000 1.374 53 I CB -0.155 37.866 38.000 0.035 0.000 1.057 53 I HN -0.185 8.022 8.210 -0.005 0.000 0.413 54 K N -0.069 120.358 120.400 0.046 0.000 2.057 54 K HA -0.386 3.951 4.320 0.029 0.000 0.207 54 K C 1.689 178.331 176.600 0.071 0.000 1.049 54 K CA 3.163 59.478 56.287 0.048 0.000 0.931 54 K CB -0.327 32.200 32.500 0.044 0.000 0.714 54 K HN -0.372 7.900 8.250 0.037 0.000 0.440 55 Y N -2.114 118.169 120.300 -0.028 0.000 2.181 55 Y HA -0.277 4.262 4.550 -0.018 0.000 0.288 55 Y C 1.186 177.077 175.900 -0.014 0.000 1.146 55 Y CA 2.591 60.675 58.100 -0.026 0.000 1.164 55 Y CB 0.601 39.034 38.460 -0.045 0.000 0.982 55 Y HN -0.562 7.768 8.280 0.210 0.076 0.515 56 M N -4.201 115.420 119.600 0.034 0.000 2.435 56 M HA -0.001 4.404 4.480 -0.124 0.000 0.265 56 M C 0.188 176.475 176.300 -0.021 0.000 1.104 56 M CA 1.420 56.708 55.300 -0.021 0.000 1.140 56 M CB 1.478 34.131 32.600 0.087 0.000 1.372 56 M HN -0.458 7.904 8.290 0.119 0.000 0.456 57 G N -1.342 107.461 108.800 0.006 0.000 2.999 57 G HA2 -0.225 3.759 3.960 0.021 0.000 0.686 57 G HA3 -0.225 3.820 3.960 0.011 -0.078 0.686 57 G C -1.004 173.936 174.900 0.067 0.000 1.057 57 G CA -0.574 44.540 45.100 0.024 0.000 0.784 57 G HN -0.316 7.982 8.290 0.013 0.000 0.575 58 I N 2.164 122.782 120.570 0.081 0.000 2.361 58 I HA -0.390 3.891 4.170 0.186 0.000 0.251 58 I C 0.182 176.384 176.117 0.141 0.000 1.133 58 I CA 2.512 63.898 61.300 0.143 0.000 1.413 58 I CB -0.047 38.033 38.000 0.133 0.000 1.073 58 I HN 0.386 8.633 8.210 0.062 0.000 0.424 59 D N -2.231 118.223 120.400 0.090 0.000 2.178 59 D HA -0.293 4.393 4.640 0.076 0.000 0.201 59 D C 1.927 178.269 176.300 0.071 0.000 0.980 59 D CA 3.007 57.050 54.000 0.071 0.000 0.842 59 D CB -1.195 39.632 40.800 0.044 0.000 0.948 59 D HN 0.355 8.756 8.370 0.071 0.012 0.472 60 M N 0.342 119.988 119.600 0.077 0.000 2.248 60 M HA -0.117 4.403 4.480 0.066 0.000 0.265 60 M C 1.203 177.589 176.300 0.144 0.000 1.079 60 M CA 1.745 57.096 55.300 0.085 0.000 1.150 60 M CB -0.255 32.386 32.600 0.069 0.000 1.366 60 M HN -0.639 7.578 8.290 0.074 0.117 0.433 61 A N 0.733 123.663 122.820 0.184 0.000 1.849 61 A HA -0.282 4.305 4.320 0.445 0.000 0.217 61 A C 2.030 179.739 177.584 0.209 0.000 1.202 61 A CA 3.132 55.348 52.037 0.298 0.000 0.629 61 A CB -0.891 18.269 19.000 0.266 0.000 0.834 61 A HN -0.351 7.894 8.150 0.159 0.000 0.447 62 V N -2.443 117.529 119.914 0.097 0.000 2.287 62 V HA -0.598 3.450 4.120 -0.120 0.000 0.248 62 V C 1.996 178.088 176.094 -0.002 0.000 1.053 62 V CA 4.025 66.313 62.300 -0.020 0.000 1.027 62 V CB -0.393 31.432 31.823 0.003 0.000 0.646 62 V HN -0.401 7.867 8.190 0.130 0.000 0.447 63 G N -1.366 107.451 108.800 0.029 0.000 2.491 63 G HA2 -0.424 3.534 3.960 -0.003 0.000 0.218 63 G HA3 -0.424 3.613 3.960 0.018 -0.066 0.218 63 G C 1.218 176.112 174.900 -0.010 0.000 1.180 63 G CA 2.217 47.322 45.100 0.009 0.000 0.774 63 G HN -0.450 7.870 8.290 0.050 0.000 0.562 64 M N 1.474 121.084 119.600 0.018 0.000 2.159 64 M HA -0.411 4.060 4.480 -0.015 0.000 0.263 64 M C 2.184 178.415 176.300 -0.116 0.000 1.063 64 M CA 3.976 59.271 55.300 -0.008 0.000 1.110 64 M CB 0.054 32.703 32.600 0.082 0.000 1.374 64 M HN -0.200 8.126 8.290 0.060 0.000 0.411 65 V N 0.505 120.351 119.914 -0.114 0.000 2.295 65 V HA -0.615 3.349 4.120 -0.260 0.000 0.246 65 V C 1.616 177.622 176.094 -0.148 0.000 1.049 65 V CA 4.700 66.900 62.300 -0.166 0.000 1.024 65 V CB -0.495 31.266 31.823 -0.105 0.000 0.648 65 V HN -0.432 7.727 8.190 -0.052 0.000 0.447 66 K N -0.539 119.805 120.400 -0.094 0.000 2.097 66 K HA -0.341 3.944 4.320 -0.059 0.000 0.206 66 K C 2.737 179.277 176.600 -0.101 0.000 1.049 66 K CA 3.448 59.690 56.287 -0.074 0.000 0.933 66 K CB -0.257 32.215 32.500 -0.047 0.000 0.717 66 K HN -0.433 7.771 8.250 -0.076 0.000 0.442 67 I N 0.134 120.633 120.570 -0.119 0.000 2.226 67 I HA -0.462 3.644 4.170 -0.107 0.000 0.245 67 I C 1.945 177.936 176.117 -0.209 0.000 1.100 67 I CA 3.799 65.021 61.300 -0.131 0.000 1.374 67 I CB -0.069 37.869 38.000 -0.104 0.000 1.057 67 I HN -0.506 7.640 8.210 -0.108 0.000 0.413 68 M N -0.691 118.698 119.600 -0.352 0.000 2.175 68 M HA -0.370 3.828 4.480 -0.470 0.000 0.264 68 M C 2.319 178.361 176.300 -0.430 0.000 1.063 68 M CA 1.920 56.840 55.300 -0.634 0.000 1.119 68 M CB -1.448 30.266 32.600 -1.476 0.000 1.377 68 M HN -0.437 7.640 8.290 -0.355 0.000 0.415 69 C N -0.967 118.204 119.300 -0.216 0.000 2.435 69 C HA -0.333 4.256 4.460 0.215 0.000 0.279 69 C C 1.663 176.652 174.990 -0.002 0.000 1.321 69 C CA 4.206 63.250 59.018 0.044 0.000 1.752 69 C CB -0.954 26.825 27.740 0.066 0.000 1.959 69 C HN 0.025 8.121 8.230 -0.224 0.000 0.500 70 E N -1.185 118.974 120.200 -0.067 0.000 2.152 70 E HA -0.279 4.050 4.350 -0.034 0.000 0.192 70 E C 1.683 178.220 176.600 -0.105 0.000 0.983 70 E CA 2.312 58.673 56.400 -0.064 0.000 0.818 70 E CB -0.330 29.329 29.700 -0.069 0.000 0.758 70 E HN -0.627 7.577 8.360 -0.096 0.098 0.467 71 R N -1.628 118.756 120.500 -0.193 0.000 2.092 71 R HA -0.160 3.997 4.340 -0.304 0.000 0.231 71 R C 0.413 176.441 176.300 -0.454 0.000 1.119 71 R CA 2.301 58.177 56.100 -0.374 0.000 0.970 71 R CB 0.975 30.951 30.300 -0.541 0.000 0.864 71 R HN -0.704 7.349 8.270 -0.201 0.097 0.440 72 Y N -3.704 116.591 120.300 -0.008 0.000 2.584 72 Y HA 0.458 5.037 4.550 0.049 0.000 0.358 72 Y C -1.884 173.936 175.900 -0.132 0.000 1.028 72 Y CA -3.301 54.773 58.100 -0.044 0.000 1.148 72 Y CB -0.073 38.359 38.460 -0.048 0.000 1.126 72 Y HN -0.558 7.622 8.280 -0.005 0.097 0.658 73 P HA -0.009 4.570 4.420 0.054 -0.126 0.226 73 P C -0.665 176.674 177.300 0.065 0.000 1.153 73 P CA 0.844 63.988 63.100 0.073 0.000 0.777 73 P CB 0.277 32.029 31.700 0.087 0.000 0.794 74 H N -6.570 112.567 119.070 0.112 0.000 2.529 74 H HA -0.037 4.555 4.556 0.059 0.000 0.277 74 H C -0.595 174.771 175.328 0.063 0.000 0.999 74 H CA -0.405 55.689 56.048 0.077 0.000 1.256 74 H CB -0.413 29.391 29.762 0.071 0.000 1.402 74 H HN -0.023 8.259 8.280 0.073 0.042 0.566 75 I N 3.878 124.253 120.570 -0.325 0.000 2.337 75 I HA 0.179 4.271 4.170 -0.130 0.000 0.291 75 I C -2.530 173.534 176.117 -0.088 0.000 1.046 75 I CA -2.322 58.859 61.300 -0.198 0.000 1.324 75 I CB -0.405 37.429 38.000 -0.276 0.000 1.409 75 I HN -0.804 7.092 8.210 -0.463 0.036 0.494 76 P HA 0.044 4.592 4.420 -0.031 -0.146 0.271 76 P C -1.454 175.789 177.300 -0.094 0.000 1.226 76 P CA -0.410 62.664 63.100 -0.042 0.000 0.765 76 P CB 0.403 32.100 31.700 -0.005 0.000 0.835 77 V N 4.602 124.449 119.914 -0.112 0.000 2.638 77 V HA 0.660 4.873 4.120 -0.223 -0.227 0.306 77 V C -1.970 173.985 176.094 -0.232 0.000 1.052 77 V CA -1.967 60.225 62.300 -0.180 0.000 0.885 77 V CB 4.314 36.067 31.823 -0.117 0.000 0.999 77 V HN -0.010 8.132 8.190 -0.081 0.000 0.424 78 A N 6.569 129.120 122.820 -0.447 0.000 2.303 78 A HA 0.763 5.022 4.320 -0.338 -0.141 0.320 78 A C -2.455 174.908 177.584 -0.369 0.000 1.192 78 A CA -2.335 49.366 52.037 -0.560 0.000 0.821 78 A CB 3.013 21.252 19.000 -1.268 0.000 1.188 78 A HN 0.404 8.231 8.150 -0.538 0.000 0.492 79 L N 5.526 126.653 121.223 -0.159 0.000 2.257 79 L HA 0.598 5.099 4.340 -0.025 -0.176 0.290 79 L C -1.726 175.236 176.870 0.155 0.000 1.044 79 L CA -1.221 53.570 54.840 -0.081 0.000 0.810 79 L CB 1.543 43.440 42.059 -0.271 0.000 1.193 79 L HN -0.240 7.908 8.230 -0.137 0.000 0.425 80 H N 8.736 127.966 119.070 0.267 0.000 2.547 80 H HA 0.552 5.641 4.556 0.480 -0.245 0.342 80 H C -1.811 173.871 175.328 0.590 0.000 1.048 80 H CA -2.160 54.170 56.048 0.471 0.000 1.204 80 H CB 3.716 33.772 29.762 0.490 0.000 1.493 80 H HN 0.622 9.151 8.280 0.415 0.000 0.511 81 L N 8.103 129.326 121.223 0.001 0.000 2.369 81 L HA 0.284 4.760 4.340 -0.011 -0.143 0.279 81 L C -1.850 174.840 176.870 -0.300 0.000 1.108 81 L CA -0.555 54.151 54.840 -0.223 0.000 0.852 81 L CB 0.951 42.698 42.059 -0.520 0.000 1.169 81 L HN 0.070 8.252 8.230 -0.080 0.000 0.452 82 D N 8.306 128.708 120.400 0.003 0.000 2.225 82 D HA 0.204 4.907 4.640 0.105 0.000 0.248 82 D C -0.105 176.257 176.300 0.103 0.000 1.096 82 D CA -1.134 52.924 54.000 0.097 0.000 0.863 82 D CB 1.034 41.956 40.800 0.202 0.000 1.156 82 D HN -0.072 8.345 8.370 0.078 0.000 0.450 83 H N 2.288 121.442 119.070 0.140 0.000 2.592 83 H HA -0.431 4.200 4.556 0.125 0.000 0.323 83 H C -0.505 174.844 175.328 0.034 0.000 1.117 83 H CA 1.270 57.381 56.048 0.105 0.000 1.120 83 H CB -2.712 27.118 29.762 0.113 0.000 1.561 83 H HN 0.089 8.260 8.280 -0.182 0.000 0.409 84 G N -2.860 105.968 108.800 0.048 0.000 2.380 84 G HA2 -0.049 4.074 3.960 -0.015 0.000 0.242 84 G HA3 -0.049 3.963 3.960 -0.051 -0.082 0.242 84 G C -0.717 174.225 174.900 0.070 0.000 1.298 84 G CA 0.138 45.239 45.100 0.003 0.000 0.878 84 G HN -0.465 7.822 8.290 -0.006 0.000 0.542 85 T N -1.320 113.276 114.554 0.069 0.000 2.985 85 T HA 0.315 4.771 4.350 0.176 0.000 0.254 85 T C 0.235 175.010 174.700 0.125 0.000 1.021 85 T CA -0.840 61.336 62.100 0.127 0.000 0.957 85 T CB 1.586 70.522 68.868 0.113 0.000 1.047 85 T HN 0.042 8.567 8.240 0.038 -0.261 0.511 86 T N -3.353 111.245 114.554 0.073 0.000 2.864 86 T HA 0.256 4.670 4.350 0.108 0.000 0.299 86 T C -0.431 174.313 174.700 0.073 0.000 1.166 86 T CA -2.235 59.918 62.100 0.087 0.000 1.007 86 T CB 2.922 71.839 68.868 0.082 0.000 1.219 86 T HN -0.902 7.360 8.240 0.038 0.000 0.506 87 F N 2.886 122.818 119.950 -0.030 0.000 2.126 87 F HA -0.411 4.086 4.527 -0.050 0.000 0.299 87 F C 0.902 176.677 175.800 -0.041 0.000 1.096 87 F CA 4.399 62.373 58.000 -0.044 0.000 1.255 87 F CB 0.241 39.211 39.000 -0.050 0.000 0.997 87 F HN 0.538 8.991 8.300 0.255 0.000 0.479 88 E N -0.986 119.285 120.200 0.118 0.000 2.085 88 E HA -0.391 3.976 4.350 0.027 0.000 0.194 88 E C 2.699 179.233 176.600 -0.110 0.000 0.994 88 E CA 3.429 59.842 56.400 0.021 0.000 0.801 88 E CB -0.823 28.926 29.700 0.082 0.000 0.743 88 E HN 0.338 8.821 8.360 0.213 0.005 0.453 89 S N -0.181 115.463 115.700 -0.094 0.000 2.368 89 S HA -0.273 4.127 4.470 -0.117 0.000 0.225 89 S C 2.014 176.482 174.600 -0.220 0.000 1.030 89 S CA 2.983 61.105 58.200 -0.130 0.000 0.999 89 S CB -0.073 63.072 63.200 -0.092 0.000 0.844 89 S HN -0.478 7.802 8.310 -0.050 0.000 0.459 90 C N 1.025 120.168 119.300 -0.260 0.000 2.422 90 C HA -0.368 3.913 4.460 -0.298 0.000 0.279 90 C C 1.296 176.076 174.990 -0.350 0.000 1.305 90 C CA 4.333 63.164 59.018 -0.311 0.000 1.757 90 C CB -0.526 27.034 27.740 -0.301 0.000 1.962 90 C HN -0.502 7.585 8.230 -0.238 0.000 0.499 91 E N 1.621 121.553 120.200 -0.446 0.000 2.072 91 E HA -0.330 3.796 4.350 -0.374 0.000 0.191 91 E C 1.976 178.458 176.600 -0.196 0.000 0.985 91 E CA 3.040 59.213 56.400 -0.378 0.000 0.801 91 E CB -0.227 29.212 29.700 -0.435 0.000 0.750 91 E HN -0.174 7.868 8.360 -0.512 0.011 0.452 92 K N -1.456 118.843 120.400 -0.169 0.000 2.097 92 K HA -0.296 3.984 4.320 -0.067 0.000 0.206 92 K C 2.413 178.949 176.600 -0.107 0.000 1.049 92 K CA 2.938 59.163 56.287 -0.104 0.000 0.933 92 K CB -0.202 32.245 32.500 -0.089 0.000 0.717 92 K HN -0.396 7.743 8.250 -0.185 0.000 0.442 93 A N -0.659 122.029 122.820 -0.219 0.000 1.897 93 A HA -0.166 3.978 4.320 -0.292 0.000 0.215 93 A C 1.876 179.445 177.584 -0.025 0.000 1.181 93 A CA 2.941 54.783 52.037 -0.325 0.000 0.620 93 A CB -0.807 17.725 19.000 -0.781 0.000 0.821 93 A HN -0.564 7.414 8.150 -0.262 0.014 0.443 94 V N -1.246 118.633 119.914 -0.058 0.000 2.261 94 V HA -0.607 3.557 4.120 0.073 0.000 0.246 94 V C 2.031 178.154 176.094 0.048 0.000 1.047 94 V CA 3.849 66.159 62.300 0.017 0.000 1.015 94 V CB -0.105 31.693 31.823 -0.041 0.000 0.642 94 V HN -0.423 7.688 8.190 -0.131 0.000 0.446 95 K N -2.223 118.186 120.400 0.015 0.000 2.097 95 K HA -0.306 4.032 4.320 0.030 0.000 0.206 95 K C 1.636 178.274 176.600 0.064 0.000 1.049 95 K CA 2.580 58.886 56.287 0.030 0.000 0.933 95 K CB -0.207 32.300 32.500 0.011 0.000 0.717 95 K HN -0.454 7.784 8.250 -0.020 0.000 0.442 96 A N -4.040 118.842 122.820 0.103 0.000 2.016 96 A HA -0.008 4.375 4.320 0.106 0.000 0.217 96 A C 0.346 178.028 177.584 0.163 0.000 1.162 96 A CA 1.031 53.157 52.037 0.149 0.000 0.662 96 A CB 0.661 19.795 19.000 0.223 0.000 0.812 96 A HN -0.441 7.659 8.150 0.100 0.110 0.450 97 G N -3.583 105.333 108.800 0.193 0.000 2.173 97 G HA2 -0.163 3.857 3.960 0.101 0.000 0.142 97 G HA3 -0.163 3.843 3.960 0.077 0.000 0.142 97 G C -0.303 174.675 174.900 0.130 0.000 1.019 97 G CA -0.526 44.649 45.100 0.125 0.000 0.699 97 G HN -0.627 7.795 8.290 0.219 0.000 0.495 98 F N 0.778 120.746 119.950 0.031 0.000 2.563 98 F HA -0.148 4.413 4.527 0.056 0.000 0.363 98 F C 0.735 176.558 175.800 0.037 0.000 1.123 98 F CA 1.505 59.529 58.000 0.040 0.000 1.307 98 F CB 0.827 39.842 39.000 0.025 0.000 1.115 98 F HN -0.542 8.128 8.300 0.617 0.000 0.592 99 T N -2.521 112.139 114.554 0.177 0.000 3.054 99 T HA 0.093 4.517 4.350 0.124 0.000 0.255 99 T C -0.235 174.581 174.700 0.193 0.000 1.035 99 T CA -0.264 61.914 62.100 0.129 0.000 0.941 99 T CB 0.690 69.582 68.868 0.041 0.000 1.026 99 T HN 0.209 8.527 8.240 0.130 0.000 0.533 100 S N 0.531 116.406 115.700 0.292 0.000 2.543 100 S HA 0.708 5.581 4.470 0.352 -0.193 0.271 100 S C -2.317 172.436 174.600 0.255 0.000 1.148 100 S CA -0.738 57.712 58.200 0.416 0.000 0.914 100 S CB 2.041 65.703 63.200 0.771 0.000 1.096 100 S HN -0.664 7.843 8.310 0.329 0.000 0.471 101 V N -0.234 119.738 119.914 0.097 0.000 2.760 101 V HA 0.474 4.387 4.120 -0.347 0.000 0.309 101 V C -2.524 173.499 176.094 -0.118 0.000 1.077 101 V CA -2.346 59.857 62.300 -0.161 0.000 0.910 101 V CB 3.690 35.423 31.823 -0.149 0.000 1.008 101 V HN 0.384 8.659 8.190 0.142 0.000 0.424 102 M N 5.717 125.183 119.600 -0.223 0.000 2.113 102 M HA 0.523 5.241 4.480 0.063 -0.200 0.352 102 M C -1.949 174.331 176.300 -0.034 0.000 1.170 102 M CA -0.834 54.456 55.300 -0.016 0.000 1.053 102 M CB 2.456 35.096 32.600 0.067 0.000 1.601 102 M HN 0.228 8.277 8.290 -0.403 0.000 0.459 103 I N 7.630 128.200 120.570 -0.001 0.000 2.307 103 I HA 0.225 4.529 4.170 0.014 -0.126 0.289 103 I C -2.886 173.269 176.117 0.063 0.000 1.021 103 I CA -1.720 59.592 61.300 0.020 0.000 1.224 103 I CB 1.644 39.651 38.000 0.011 0.000 1.376 103 I HN 0.323 8.537 8.210 0.007 0.000 0.470 104 D N 9.769 130.230 120.400 0.101 0.000 2.443 104 D HA 0.161 4.857 4.640 0.092 0.000 0.221 104 D C -1.672 174.730 176.300 0.170 0.000 1.097 104 D CA -1.220 52.864 54.000 0.140 0.000 0.865 104 D CB 1.469 42.417 40.800 0.247 0.000 1.034 104 D HN 0.401 8.837 8.370 0.111 0.000 0.511 105 A N 5.082 127.954 122.820 0.088 0.000 2.643 105 A HA 0.294 4.580 4.320 -0.057 0.000 0.295 105 A C 0.284 177.807 177.584 -0.100 0.000 1.065 105 A CA -0.546 51.508 52.037 0.029 0.000 0.986 105 A CB 0.161 19.226 19.000 0.108 0.000 1.212 105 A HN 0.240 8.428 8.150 0.063 0.000 0.516 106 S N 1.350 117.024 115.700 -0.044 0.000 2.447 106 S HA -0.246 4.179 4.470 -0.075 0.000 0.233 106 S C 0.742 175.316 174.600 -0.042 0.000 1.006 106 S CA 2.187 60.360 58.200 -0.046 0.000 0.957 106 S CB -0.098 63.088 63.200 -0.023 0.000 0.773 106 S HN -0.569 8.028 8.310 0.043 -0.261 0.507 107 H N -1.199 117.828 119.070 -0.071 0.000 2.547 107 H HA 0.123 4.625 4.556 -0.090 0.000 0.272 107 H C 0.154 175.387 175.328 -0.159 0.000 0.989 107 H CA 0.307 56.276 56.048 -0.133 0.000 1.214 107 H CB -0.543 29.104 29.762 -0.192 0.000 1.389 107 H HN 0.150 8.333 8.280 -0.117 0.026 0.577 108 H N 2.069 120.932 119.070 -0.344 0.000 2.547 108 H HA -0.017 4.470 4.556 -0.115 0.000 0.362 108 H C -0.629 174.663 175.328 -0.059 0.000 1.181 108 H CA -0.358 55.579 56.048 -0.184 0.000 1.376 108 H CB 0.805 30.433 29.762 -0.224 0.000 1.488 108 H HN -0.634 7.183 8.280 -0.510 0.157 0.583 109 A N 0.917 123.820 122.820 0.138 0.000 2.492 109 A HA -0.134 4.260 4.320 0.124 0.000 0.236 109 A C 0.330 178.004 177.584 0.151 0.000 1.078 109 A CA 0.190 52.304 52.037 0.129 0.000 0.773 109 A CB 0.859 19.927 19.000 0.113 0.000 1.023 109 A HN 0.273 8.516 8.150 0.154 0.000 0.504 110 F N 2.069 122.050 119.950 0.052 0.000 2.091 110 F HA -0.505 4.079 4.527 0.095 0.000 0.299 110 F C 1.256 177.114 175.800 0.096 0.000 1.103 110 F CA 4.470 62.519 58.000 0.081 0.000 1.228 110 F CB 0.201 39.242 39.000 0.068 0.000 0.984 110 F HN 0.631 9.127 8.300 0.326 0.000 0.477 111 E N -2.770 117.534 120.200 0.173 0.000 2.077 111 E HA -0.319 4.014 4.350 -0.028 0.000 0.193 111 E C 2.560 179.108 176.600 -0.088 0.000 0.989 111 E CA 3.887 60.303 56.400 0.027 0.000 0.800 111 E CB -1.112 28.645 29.700 0.095 0.000 0.746 111 E HN 0.451 8.985 8.360 0.290 0.000 0.452 112 E N -1.656 118.510 120.200 -0.056 0.000 2.072 112 E HA -0.284 3.985 4.350 -0.136 0.000 0.191 112 E C 2.392 178.893 176.600 -0.165 0.000 0.985 112 E CA 1.776 58.101 56.400 -0.125 0.000 0.801 112 E CB -0.830 28.787 29.700 -0.137 0.000 0.750 112 E HN -0.613 7.746 8.360 -0.002 0.000 0.452 113 N N 0.490 119.134 118.700 -0.093 0.000 2.058 113 N HA -0.258 4.462 4.740 -0.035 0.000 0.191 113 N C 1.960 177.466 175.510 -0.006 0.000 1.037 113 N CA 2.857 55.897 53.050 -0.016 0.000 0.848 113 N CB -0.187 38.325 38.487 0.043 0.000 1.021 113 N HN -0.200 8.148 8.380 -0.053 0.000 0.422 114 L N -0.518 120.613 121.223 -0.153 0.000 2.079 114 L HA -0.309 3.615 4.340 -0.692 0.000 0.210 114 L C 1.452 178.122 176.870 -0.333 0.000 1.081 114 L CA 3.435 58.005 54.840 -0.450 0.000 0.752 114 L CB -0.201 41.466 42.059 -0.654 0.000 0.896 114 L HN -0.153 7.925 8.230 -0.254 0.000 0.433 115 E N -0.610 119.453 120.200 -0.229 0.000 2.046 115 E HA -0.328 3.911 4.350 -0.185 0.000 0.190 115 E C 2.316 178.819 176.600 -0.161 0.000 0.982 115 E CA 3.126 59.417 56.400 -0.182 0.000 0.800 115 E CB 0.120 29.730 29.700 -0.149 0.000 0.756 115 E HN -0.594 7.553 8.360 -0.211 0.086 0.449 116 L N -0.825 120.308 121.223 -0.149 0.000 2.046 116 L HA -0.270 4.014 4.340 -0.094 0.000 0.208 116 L C 1.825 178.663 176.870 -0.054 0.000 1.077 116 L CA 3.003 57.783 54.840 -0.101 0.000 0.747 116 L CB -0.144 41.841 42.059 -0.124 0.000 0.896 116 L HN -0.030 8.102 8.230 -0.164 0.000 0.432 117 T N 1.860 116.366 114.554 -0.079 0.000 2.746 117 T HA -0.451 3.886 4.350 -0.022 0.000 0.267 117 T C 1.769 176.383 174.700 -0.144 0.000 1.039 117 T CA 5.496 67.552 62.100 -0.074 0.000 1.142 117 T CB -0.238 68.605 68.868 -0.041 0.000 0.866 117 T HN 0.341 8.525 8.240 -0.093 0.000 0.444 118 S N 1.286 116.863 115.700 -0.206 0.000 2.399 118 S HA -0.236 4.099 4.470 -0.226 0.000 0.231 118 S C 1.459 175.986 174.600 -0.121 0.000 1.022 118 S CA 3.348 61.429 58.200 -0.198 0.000 0.983 118 S CB -0.571 62.504 63.200 -0.209 0.000 0.803 118 S HN -0.278 7.892 8.310 -0.234 0.000 0.480 119 K N 2.507 122.863 120.400 -0.073 0.000 2.057 119 K HA -0.234 4.061 4.320 -0.043 0.000 0.206 119 K C 2.190 178.895 176.600 0.175 0.000 1.050 119 K CA 3.175 59.458 56.287 -0.006 0.000 0.935 119 K CB -0.138 32.311 32.500 -0.085 0.000 0.715 119 K HN -0.767 7.327 8.250 -0.085 0.105 0.439 120 V N -0.048 119.966 119.914 0.166 0.000 2.343 120 V HA -0.538 3.660 4.120 0.131 0.000 0.247 120 V C 1.621 177.682 176.094 -0.054 0.000 1.051 120 V CA 4.389 66.738 62.300 0.083 0.000 1.036 120 V CB 0.064 31.879 31.823 -0.014 0.000 0.654 120 V HN -0.564 7.690 8.190 0.108 0.000 0.451 121 V N 0.232 120.058 119.914 -0.147 0.000 2.287 121 V HA -0.593 3.277 4.120 -0.416 0.000 0.248 121 V C 1.627 177.527 176.094 -0.322 0.000 1.053 121 V CA 4.987 67.072 62.300 -0.358 0.000 1.027 121 V CB -0.418 31.145 31.823 -0.433 0.000 0.646 121 V HN -0.094 8.016 8.190 -0.133 0.000 0.447 122 K N -0.862 119.451 120.400 -0.145 0.000 2.057 122 K HA -0.380 3.905 4.320 -0.058 0.000 0.207 122 K C 2.225 178.836 176.600 0.019 0.000 1.049 122 K CA 3.413 59.669 56.287 -0.051 0.000 0.931 122 K CB -0.208 32.279 32.500 -0.021 0.000 0.714 122 K HN -0.527 7.656 8.250 -0.112 0.000 0.440 123 M N -0.690 118.946 119.600 0.059 0.000 2.077 123 M HA -0.277 4.259 4.480 0.094 0.000 0.261 123 M C 1.877 178.194 176.300 0.028 0.000 1.070 123 M CA 2.607 57.953 55.300 0.078 0.000 1.125 123 M CB -0.352 32.326 32.600 0.129 0.000 1.339 123 M HN -0.749 7.593 8.290 0.086 0.000 0.409 124 A N -1.072 121.743 122.820 -0.009 0.000 1.877 124 A HA -0.397 3.933 4.320 0.016 0.000 0.216 124 A C 1.995 179.668 177.584 0.147 0.000 1.186 124 A CA 2.998 55.053 52.037 0.031 0.000 0.620 124 A CB -0.565 18.438 19.000 0.005 0.000 0.822 124 A HN 0.339 8.462 8.150 -0.044 0.000 0.443 125 H N -1.428 117.643 119.070 0.002 0.000 2.387 125 H HA -0.261 4.302 4.556 0.011 0.000 0.299 125 H C 3.305 178.641 175.328 0.013 0.000 1.090 125 H CA 2.193 58.245 56.048 0.008 0.000 1.332 125 H CB 0.019 29.782 29.762 0.001 0.000 1.386 125 H HN 0.116 8.465 8.280 0.115 0.000 0.516 126 N N 0.580 119.366 118.700 0.144 0.000 2.205 126 N HA -0.218 4.568 4.740 0.076 0.000 0.186 126 N C 0.441 175.989 175.510 0.064 0.000 1.015 126 N CA 2.222 55.322 53.050 0.083 0.000 0.862 126 N CB 0.032 38.559 38.487 0.066 0.000 0.986 126 N HN -0.265 8.197 8.380 0.136 0.000 0.429 127 A N -3.869 118.991 122.820 0.067 0.000 2.275 127 A HA 0.228 4.575 4.320 0.044 0.000 0.212 127 A C 0.165 177.782 177.584 0.054 0.000 1.201 127 A CA -0.540 51.528 52.037 0.052 0.000 0.843 127 A CB 0.227 19.253 19.000 0.044 0.000 0.873 127 A HN -0.616 7.449 8.150 0.078 0.132 0.492 128 G N -1.392 107.443 108.800 0.059 0.000 2.198 128 G HA2 -0.253 3.720 3.960 0.022 0.000 0.257 128 G HA3 -0.253 3.727 3.960 0.034 0.000 0.257 128 G C -0.624 174.313 174.900 0.063 0.000 1.042 128 G CA 0.274 45.400 45.100 0.042 0.000 0.791 128 G HN -0.426 7.721 8.290 0.070 0.184 0.502 129 V N -4.695 115.278 119.914 0.099 0.000 2.628 129 V HA 0.374 4.564 4.120 0.116 0.000 0.306 129 V C -1.586 174.616 176.094 0.179 0.000 1.045 129 V CA -2.538 59.837 62.300 0.125 0.000 0.905 129 V CB 2.720 34.614 31.823 0.117 0.000 0.997 129 V HN -0.503 7.753 8.190 0.111 0.000 0.436 130 S N 3.788 119.602 115.700 0.190 0.000 2.632 130 S HA 0.319 5.048 4.470 0.209 -0.133 0.267 130 S C -0.785 173.872 174.600 0.096 0.000 1.276 130 S CA -0.937 57.378 58.200 0.192 0.000 0.998 130 S CB 1.265 64.648 63.200 0.306 0.000 0.953 130 S HN -0.376 8.055 8.310 0.201 0.000 0.547 131 V N -0.410 119.434 119.914 -0.117 0.000 2.760 131 V HA 0.574 4.857 4.120 -0.079 -0.211 0.309 131 V C -2.026 173.795 176.094 -0.456 0.000 1.077 131 V CA -1.573 60.617 62.300 -0.183 0.000 0.910 131 V CB 4.290 36.033 31.823 -0.133 0.000 1.008 131 V HN 0.174 8.502 8.190 -0.186 -0.250 0.424 132 E N 6.324 126.400 120.200 -0.206 0.000 2.195 132 E HA 0.828 5.252 4.350 -0.230 -0.211 0.271 132 E C -2.064 174.558 176.600 0.036 0.000 0.923 132 E CA -2.881 53.468 56.400 -0.084 0.000 0.790 132 E CB 4.031 33.895 29.700 0.274 0.000 1.155 132 E HN 0.207 8.549 8.360 -0.031 0.000 0.402 133 A N 3.332 126.196 122.820 0.074 0.000 2.437 133 A HA 0.836 5.377 4.320 0.075 -0.176 0.288 133 A C -2.428 175.154 177.584 -0.004 0.000 1.201 133 A CA -2.198 49.894 52.037 0.092 0.000 0.795 133 A CB 4.334 23.500 19.000 0.277 0.000 1.359 133 A HN -0.092 8.105 8.150 0.077 0.000 0.435 134 E N -1.153 118.981 120.200 -0.109 0.000 2.331 134 E HA 0.682 5.098 4.350 -0.155 -0.159 0.275 134 E C -2.028 174.399 176.600 -0.288 0.000 0.895 134 E CA -1.283 55.013 56.400 -0.173 0.000 0.753 134 E CB 3.860 33.476 29.700 -0.139 0.000 1.216 134 E HN 0.235 8.533 8.360 -0.102 0.000 0.434 135 L N 3.130 124.193 121.223 -0.266 0.000 2.386 135 L HA 0.323 4.521 4.340 -0.237 0.000 0.271 135 L C -1.670 175.124 176.870 -0.126 0.000 0.993 135 L CA -1.222 53.475 54.840 -0.238 0.000 0.819 135 L CB 3.208 45.096 42.059 -0.285 0.000 1.294 135 L HN -0.080 8.022 8.230 -0.214 0.000 0.414 136 G N 0.232 108.982 108.800 -0.084 0.000 2.663 136 G HA2 -0.324 3.694 3.960 -0.043 0.000 0.686 136 G HA3 -0.324 3.599 3.960 -0.061 0.000 0.686 136 G C -1.934 172.931 174.900 -0.058 0.000 1.288 136 G CA -0.670 44.395 45.100 -0.059 0.000 0.836 136 G HN -0.019 8.227 8.290 -0.074 0.000 0.584 137 R N -0.330 120.140 120.500 -0.051 0.000 2.407 137 R HA 0.298 4.603 4.340 -0.057 0.000 0.303 137 R C 0.317 176.567 176.300 -0.083 0.000 0.981 137 R CA -1.455 54.610 56.100 -0.058 0.000 0.905 137 R CB 1.700 31.974 30.300 -0.043 0.000 1.099 137 R HN 0.264 8.506 8.270 -0.045 0.000 0.459 138 L N 8.649 129.800 121.223 -0.120 0.000 2.583 138 L HA 0.030 4.287 4.340 -0.138 0.000 0.239 138 L C -1.489 175.287 176.870 -0.156 0.000 1.347 138 L CA -0.433 54.307 54.840 -0.166 0.000 1.246 138 L CB -1.111 40.771 42.059 -0.296 0.000 1.496 138 L HN 0.577 8.732 8.230 -0.124 0.000 0.413 139 M N 0.017 119.553 119.600 -0.105 0.000 2.691 139 M HA 0.198 4.612 4.480 -0.110 0.000 0.293 139 M C -1.415 174.842 176.300 -0.072 0.000 1.259 139 M CA -2.100 53.144 55.300 -0.092 0.000 0.827 139 M CB 4.411 36.969 32.600 -0.070 0.000 1.753 139 M HN -0.780 7.404 8.290 -0.086 0.054 0.465 140 G N -0.578 108.181 108.800 -0.068 0.000 2.380 140 G HA2 0.185 4.130 3.960 -0.024 0.000 0.262 140 G HA3 0.185 4.122 3.960 -0.039 0.000 0.262 140 G C -0.091 174.816 174.900 0.011 0.000 1.243 140 G CA -0.939 44.143 45.100 -0.031 0.000 0.865 140 G HN 0.050 8.296 8.290 -0.073 0.000 0.513 141 I N 1.496 122.092 120.570 0.043 0.000 2.357 141 I HA -0.054 4.127 4.170 0.019 0.000 0.300 141 I C -0.460 175.690 176.117 0.055 0.000 1.159 141 I CA -0.730 60.592 61.300 0.037 0.000 1.339 141 I CB -1.520 36.498 38.000 0.031 0.000 1.458 141 I HN 0.181 8.428 8.210 0.062 0.000 0.577 142 E N 7.074 127.298 120.200 0.039 0.000 2.404 142 E HA -0.084 4.302 4.350 0.061 0.000 0.261 142 E C -0.503 176.118 176.600 0.035 0.000 1.074 142 E CA -0.401 56.024 56.400 0.042 0.000 0.917 142 E CB 1.389 31.104 29.700 0.025 0.000 0.965 142 E HN -0.304 8.071 8.360 0.025 0.000 0.433 143 D N 4.260 124.682 120.400 0.037 0.000 2.414 143 D HA -0.147 4.508 4.640 0.026 0.000 0.242 143 D C 0.191 176.502 176.300 0.018 0.000 1.129 143 D CA 1.749 55.765 54.000 0.027 0.000 0.885 143 D CB 0.164 40.980 40.800 0.027 0.000 1.198 143 D HN 0.261 8.657 8.370 0.043 0.000 0.437 144 N N -0.416 118.293 118.700 0.014 0.000 2.967 144 N HA -0.415 4.329 4.740 0.008 0.000 0.241 144 N C -1.303 174.211 175.510 0.007 0.000 0.983 144 N CA 0.653 53.709 53.050 0.009 0.000 0.918 144 N CB -0.433 38.059 38.487 0.008 0.000 1.109 144 N HN 0.280 8.669 8.380 0.014 0.000 0.567 145 I N 1.483 122.058 120.570 0.009 0.000 2.556 145 I HA -0.007 4.165 4.170 0.004 0.000 0.284 145 I C -0.556 175.563 176.117 0.003 0.000 1.114 145 I CA -0.412 60.891 61.300 0.005 0.000 1.418 145 I CB 0.541 38.546 38.000 0.007 0.000 1.394 145 I HN -0.617 7.552 8.210 0.011 0.048 0.552 146 S N 8.319 124.019 115.700 0.000 0.000 2.558 146 S HA -0.110 4.360 4.470 -0.001 0.000 0.291 146 S C 1.026 175.624 174.600 -0.002 0.000 1.306 146 S CA -0.030 58.169 58.200 -0.001 0.000 1.056 146 S CB 0.697 63.895 63.200 -0.003 0.000 0.836 146 S HN -0.051 8.259 8.310 -0.000 0.000 0.504 147 V N 2.440 122.353 119.914 -0.002 0.000 2.490 147 V HA -0.419 3.699 4.120 -0.003 0.000 0.250 147 V C 1.337 177.427 176.094 -0.006 0.000 1.061 147 V CA 3.105 65.403 62.300 -0.003 0.000 1.064 147 V CB -0.110 31.711 31.823 -0.003 0.000 0.670 147 V HN 0.496 8.685 8.190 -0.002 0.000 0.461 148 D N -1.688 118.708 120.400 -0.006 0.000 2.216 148 D HA -0.155 4.480 4.640 -0.009 0.000 0.208 148 D C 2.319 178.614 176.300 -0.008 0.000 0.960 148 D CA 2.356 56.351 54.000 -0.008 0.000 0.861 148 D CB -0.361 40.434 40.800 -0.008 0.000 0.985 148 D HN -0.114 8.232 8.370 -0.005 0.021 0.493 149 E N -0.633 119.563 120.200 -0.007 0.000 2.333 149 E HA -0.213 4.132 4.350 -0.008 0.000 0.198 149 E C 0.971 177.566 176.600 -0.008 0.000 1.007 149 E CA 1.612 58.008 56.400 -0.007 0.000 0.845 149 E CB -0.286 29.411 29.700 -0.006 0.000 0.766 149 E HN 0.065 8.421 8.360 -0.006 0.000 0.507 150 K N -0.854 119.541 120.400 -0.008 0.000 2.103 150 K HA -0.168 4.146 4.320 -0.009 0.000 0.204 150 K C 1.072 177.664 176.600 -0.013 0.000 1.052 150 K CA 3.111 59.392 56.287 -0.010 0.000 0.945 150 K CB 0.332 32.828 32.500 -0.008 0.000 0.722 150 K HN -0.511 7.693 8.250 -0.007 0.041 0.443 151 D N -2.255 118.137 120.400 -0.013 0.000 2.363 151 D HA -0.067 4.563 4.640 -0.018 0.000 0.220 151 D C 0.842 177.132 176.300 -0.016 0.000 0.994 151 D CA 2.300 56.290 54.000 -0.016 0.000 0.890 151 D CB -0.160 40.629 40.800 -0.017 0.000 0.906 151 D HN -0.485 7.787 8.370 -0.012 0.091 0.530 152 A N -2.836 119.976 122.820 -0.013 0.000 2.308 152 A HA 0.043 4.357 4.320 -0.010 0.000 0.217 152 A C -0.565 177.012 177.584 -0.011 0.000 1.216 152 A CA 1.234 53.264 52.037 -0.011 0.000 0.864 152 A CB 0.079 19.073 19.000 -0.008 0.000 0.902 152 A HN -0.398 7.562 8.150 -0.012 0.182 0.499 153 V N -2.717 117.188 119.914 -0.015 0.000 3.054 153 V HA -0.050 4.058 4.120 -0.019 0.000 0.227 153 V C -0.572 175.506 176.094 -0.026 0.000 1.252 153 V CA 1.000 63.288 62.300 -0.020 0.000 1.279 153 V CB 2.149 33.960 31.823 -0.020 0.000 1.118 153 V HN -0.618 7.391 8.190 -0.016 0.172 0.504 154 L N -2.693 118.515 121.223 -0.025 0.000 2.479 154 L HA -0.043 4.276 4.340 -0.035 0.000 0.248 154 L C 0.131 176.983 176.870 -0.030 0.000 1.205 154 L CA -0.140 54.682 54.840 -0.030 0.000 0.817 154 L CB 0.351 42.392 42.059 -0.029 0.000 1.162 154 L HN -0.491 7.726 8.230 -0.022 0.000 0.486 155 V N -0.149 119.745 119.914 -0.034 0.000 2.599 155 V HA -0.208 3.889 4.120 -0.038 0.000 0.300 155 V C -1.481 174.599 176.094 -0.023 0.000 1.034 155 V CA 0.370 62.650 62.300 -0.033 0.000 1.115 155 V CB 1.430 33.232 31.823 -0.035 0.000 0.934 155 V HN -0.167 8.001 8.190 -0.035 0.000 0.485 156 N N 9.421 128.109 118.700 -0.020 0.000 2.406 156 N HA 0.262 4.989 4.740 -0.022 0.000 0.251 156 N C -1.146 174.357 175.510 -0.011 0.000 1.069 156 N CA -2.865 50.172 53.050 -0.022 0.000 0.947 156 N CB 0.309 38.772 38.487 -0.039 0.000 1.111 156 N HN 0.535 8.904 8.380 -0.018 0.000 0.497 157 P HA -0.227 4.203 4.420 0.016 0.000 0.218 157 P C 0.818 178.128 177.300 0.017 0.000 1.149 157 P CA 1.895 65.001 63.100 0.010 0.000 0.817 157 P CB 0.437 32.143 31.700 0.009 0.000 0.785 158 K N -4.154 116.244 120.400 -0.003 0.000 2.097 158 K HA -0.159 4.166 4.320 0.009 0.000 0.205 158 K C 2.376 178.970 176.600 -0.009 0.000 1.050 158 K CA 1.675 57.956 56.287 -0.009 0.000 0.938 158 K CB -1.014 31.466 32.500 -0.034 0.000 0.718 158 K HN -0.461 7.931 8.250 -0.015 -0.151 0.442 159 E N -0.140 120.034 120.200 -0.043 0.000 2.085 159 E HA -0.360 3.887 4.350 -0.172 0.000 0.194 159 E C 2.280 179.022 176.600 0.237 0.000 0.994 159 E CA 3.117 59.506 56.400 -0.018 0.000 0.801 159 E CB -0.225 29.446 29.700 -0.049 0.000 0.743 159 E HN -0.744 7.795 8.360 -0.059 -0.215 0.453 160 A N -1.440 121.465 122.820 0.143 0.000 1.933 160 A HA -0.289 4.139 4.320 0.180 0.000 0.218 160 A C 1.760 179.465 177.584 0.201 0.000 1.175 160 A CA 3.227 55.358 52.037 0.157 0.000 0.628 160 A CB -0.991 18.049 19.000 0.067 0.000 0.814 160 A HN -0.212 7.894 8.150 0.079 0.091 0.444 161 E N -0.686 119.598 120.200 0.141 0.000 2.031 161 E HA -0.471 3.945 4.350 0.110 0.000 0.193 161 E C 1.853 178.543 176.600 0.150 0.000 0.994 161 E CA 3.140 59.611 56.400 0.119 0.000 0.800 161 E CB -0.307 29.438 29.700 0.074 0.000 0.752 161 E HN -0.572 7.853 8.360 0.108 0.000 0.447 162 Q N -0.464 119.443 119.800 0.179 0.000 2.079 162 Q HA -0.274 4.146 4.340 0.134 0.000 0.200 162 Q C 2.084 178.239 176.000 0.257 0.000 0.974 162 Q CA 2.891 58.814 55.803 0.200 0.000 0.840 162 Q CB -0.043 28.824 28.738 0.216 0.000 0.898 162 Q HN -0.820 7.550 8.270 0.166 0.000 0.430 163 F N 1.055 121.141 119.950 0.227 0.000 2.095 163 F HA -0.485 4.077 4.527 0.058 0.000 0.298 163 F C 1.645 177.464 175.800 0.032 0.000 1.104 163 F CA 4.024 62.094 58.000 0.117 0.000 1.232 163 F CB 0.166 39.241 39.000 0.124 0.000 0.987 163 F HN -0.079 8.551 8.300 0.550 0.000 0.475 164 V N -0.885 119.186 119.914 0.262 0.000 2.358 164 V HA -0.566 3.630 4.120 0.126 0.000 0.246 164 V C 2.202 178.313 176.094 0.028 0.000 1.047 164 V CA 3.737 66.119 62.300 0.138 0.000 1.035 164 V CB -0.088 31.829 31.823 0.158 0.000 0.658 164 V HN -0.363 8.024 8.190 0.329 0.000 0.452 165 K N -0.949 119.477 120.400 0.044 0.000 2.057 165 K HA -0.274 4.058 4.320 0.020 0.000 0.207 165 K C 1.681 178.267 176.600 -0.025 0.000 1.049 165 K CA 3.308 59.606 56.287 0.018 0.000 0.931 165 K CB -0.049 32.474 32.500 0.037 0.000 0.714 165 K HN -0.752 7.546 8.250 0.080 0.000 0.440 166 E N -3.082 117.082 120.200 -0.059 0.000 2.122 166 E HA -0.113 4.196 4.350 -0.068 0.000 0.190 166 E C 1.705 178.199 176.600 -0.176 0.000 0.977 166 E CA 1.996 58.335 56.400 -0.102 0.000 0.820 166 E CB 0.425 30.066 29.700 -0.100 0.000 0.770 166 E HN -0.489 7.842 8.360 -0.049 0.000 0.462 167 S N -1.726 113.804 115.700 -0.284 0.000 2.446 167 S HA -0.083 4.191 4.470 -0.326 0.000 0.225 167 S C 0.430 174.905 174.600 -0.207 0.000 1.016 167 S CA 1.513 59.506 58.200 -0.345 0.000 0.943 167 S CB 1.645 64.466 63.200 -0.632 0.000 0.786 167 S HN -0.501 7.621 8.310 -0.313 0.000 0.508 168 Q N -4.002 115.725 119.800 -0.121 0.000 2.503 168 Q HA -0.379 3.962 4.340 0.002 0.000 0.267 168 Q C -0.799 175.195 176.000 -0.010 0.000 1.030 168 Q CA 1.114 56.900 55.803 -0.028 0.000 1.041 168 Q CB -2.780 25.963 28.738 0.008 0.000 1.406 168 Q HN -0.426 7.776 8.270 -0.113 0.000 0.524 169 V N -8.046 111.835 119.914 -0.054 0.000 2.872 169 V HA -0.215 3.852 4.120 -0.087 0.000 0.307 169 V C -0.315 175.782 176.094 0.005 0.000 1.072 169 V CA 0.096 62.372 62.300 -0.040 0.000 1.148 169 V CB 0.171 32.005 31.823 0.018 0.000 0.954 169 V HN -0.695 7.425 8.190 -0.079 0.022 0.490 170 D N 2.298 122.658 120.400 -0.067 0.000 2.162 170 D HA -0.093 4.588 4.640 0.067 0.000 0.203 170 D C -0.324 176.018 176.300 0.071 0.000 0.967 170 D CA 2.931 56.914 54.000 -0.028 0.000 0.840 170 D CB 1.554 42.298 40.800 -0.092 0.000 0.972 170 D HN -0.231 8.049 8.370 -0.150 0.000 0.482 171 Y N -8.939 111.405 120.300 0.073 0.000 2.597 171 Y HA 0.463 5.121 4.550 0.006 -0.104 0.340 171 Y C -2.253 173.682 175.900 0.058 0.000 1.097 171 Y CA -2.428 55.690 58.100 0.030 0.000 1.037 171 Y CB 2.261 40.711 38.460 -0.017 0.000 1.305 171 Y HN -0.696 7.323 8.280 -0.436 0.000 0.463 172 L N 0.539 121.876 121.223 0.190 0.000 2.408 172 L HA 0.613 5.162 4.340 0.102 -0.148 0.268 172 L C -2.096 174.830 176.870 0.094 0.000 0.986 172 L CA -1.689 53.218 54.840 0.112 0.000 0.820 172 L CB 4.933 47.042 42.059 0.083 0.000 1.303 172 L HN -0.238 8.106 8.230 0.190 0.000 0.411 173 A N 4.451 127.308 122.820 0.062 0.000 2.341 173 A HA 0.852 5.440 4.320 0.102 -0.206 0.326 173 A C -2.920 174.656 177.584 -0.013 0.000 1.402 173 A CA -3.952 48.125 52.037 0.066 0.000 0.957 173 A CB 0.346 19.400 19.000 0.090 0.000 1.151 173 A HN 0.580 8.750 8.150 0.033 0.000 0.533 174 P HA 0.418 4.940 4.420 -0.055 -0.135 0.297 174 P C -1.553 175.734 177.300 -0.021 0.000 1.319 174 P CA -1.707 61.378 63.100 -0.025 0.000 0.810 174 P CB 1.051 32.749 31.700 -0.005 0.000 0.947 175 A N 3.963 126.756 122.820 -0.045 0.000 2.491 175 A HA 0.056 4.355 4.320 -0.036 0.000 0.261 175 A C -0.263 177.300 177.584 -0.035 0.000 1.101 175 A CA 0.010 52.021 52.037 -0.043 0.000 0.772 175 A CB 0.649 19.612 19.000 -0.061 0.000 1.043 175 A HN 0.004 8.117 8.150 -0.060 0.000 0.501 176 I N -2.032 118.520 120.570 -0.031 0.000 4.147 176 I HA 0.343 4.481 4.170 -0.053 0.000 0.329 176 I C -0.423 175.661 176.117 -0.055 0.000 1.424 176 I CA -1.482 59.786 61.300 -0.054 0.000 1.127 176 I CB 0.435 38.387 38.000 -0.079 0.000 1.128 176 I HN 0.244 8.442 8.210 -0.021 0.000 0.417 177 G N -0.969 107.821 108.800 -0.016 0.000 2.559 177 G HA2 -0.271 3.700 3.960 0.019 0.000 0.202 177 G HA3 -0.271 3.721 3.960 0.053 0.000 0.202 177 G C -0.723 174.211 174.900 0.056 0.000 0.992 177 G CA -0.183 44.936 45.100 0.031 0.000 0.764 177 G HN 0.152 8.431 8.290 -0.019 0.000 0.525 178 T N -2.961 111.607 114.554 0.022 0.000 2.810 178 T HA 0.001 4.309 4.350 -0.069 0.000 0.277 178 T C -1.720 172.911 174.700 -0.116 0.000 0.973 178 T CA -1.519 60.563 62.100 -0.029 0.000 0.949 178 T CB 1.565 70.457 68.868 0.040 0.000 1.075 178 T HN -0.574 7.677 8.240 0.018 0.000 0.537 179 S N -2.387 113.220 115.700 -0.156 0.000 2.587 179 S HA 0.250 4.656 4.470 -0.248 -0.085 0.269 179 S C -1.492 173.051 174.600 -0.096 0.000 1.154 179 S CA -1.005 57.083 58.200 -0.186 0.000 0.824 179 S CB 2.128 65.222 63.200 -0.176 0.000 1.118 179 S HN -0.008 8.209 8.310 -0.155 0.000 0.462 180 H N 2.158 121.212 119.070 -0.026 0.000 2.707 180 H HA -0.079 4.478 4.556 0.002 0.000 0.359 180 H C 0.731 176.037 175.328 -0.036 0.000 1.113 180 H CA 1.600 57.639 56.048 -0.015 0.000 1.422 180 H CB 0.709 30.463 29.762 -0.013 0.000 1.443 180 H HN 0.444 8.585 8.280 -0.232 0.000 0.591 181 G N 0.791 109.645 108.800 0.090 0.000 2.566 181 G HA2 -0.257 3.690 3.960 -0.021 0.000 0.599 181 G HA3 -0.257 3.732 3.960 0.049 0.000 0.599 181 G C -1.381 173.442 174.900 -0.127 0.000 1.292 181 G CA -0.706 44.395 45.100 0.001 0.000 0.922 181 G HN -0.040 8.305 8.290 0.090 0.000 0.514 182 A N -1.282 121.346 122.820 -0.320 0.000 2.208 182 A HA 0.072 4.142 4.320 -0.416 0.000 0.209 182 A C -0.994 176.115 177.584 -0.791 0.000 1.161 182 A CA 1.226 52.877 52.037 -0.644 0.000 0.782 182 A CB 0.589 19.027 19.000 -0.937 0.000 0.816 182 A HN 0.127 8.102 8.150 -0.291 0.000 0.477 183 F N -5.086 114.818 119.950 -0.076 0.000 2.438 183 F HA 0.268 4.757 4.527 -0.064 0.000 0.315 183 F C -0.094 175.608 175.800 -0.164 0.000 1.258 183 F CA -0.973 56.977 58.000 -0.084 0.000 1.180 183 F CB -1.227 37.739 39.000 -0.058 0.000 1.412 183 F HN -0.453 7.734 8.300 -0.091 0.058 0.544 184 K N -1.092 119.192 120.400 -0.193 0.000 2.186 184 K HA 0.014 4.055 4.320 -0.465 0.000 0.202 184 K C -1.070 175.034 176.600 -0.827 0.000 1.052 184 K CA 1.759 57.683 56.287 -0.604 0.000 0.965 184 K CB 1.380 33.324 32.500 -0.927 0.000 0.746 184 K HN -0.378 7.760 8.250 -0.187 0.000 0.457 185 F N -3.444 116.525 119.950 0.031 0.000 2.557 185 F HA 0.127 4.665 4.527 0.019 0.000 0.316 185 F C -0.930 174.887 175.800 0.029 0.000 1.141 185 F CA -1.454 56.557 58.000 0.018 0.000 0.922 185 F CB 2.203 41.196 39.000 -0.013 0.000 1.194 185 F HN -0.726 7.558 8.300 -0.026 0.000 0.443 186 K N 5.512 126.023 120.400 0.186 0.000 2.292 186 K HA 0.044 4.432 4.320 0.114 0.000 0.290 186 K C 0.549 177.220 176.600 0.119 0.000 1.083 186 K CA 0.173 56.533 56.287 0.123 0.000 0.918 186 K CB -0.154 32.391 32.500 0.076 0.000 1.089 186 K HN 0.334 8.682 8.250 0.163 0.000 0.473 187 G N 5.430 114.286 108.800 0.094 0.000 2.568 187 G HA2 -0.319 3.661 3.960 0.035 0.000 0.222 187 G HA3 -0.319 3.667 3.960 0.044 0.000 0.222 187 G C -1.239 173.673 174.900 0.021 0.000 1.321 187 G CA -0.629 44.502 45.100 0.051 0.000 0.893 187 G HN 0.065 8.410 8.290 0.092 0.000 0.569 188 E N 2.960 123.141 120.200 -0.033 0.000 2.344 188 E HA 0.165 4.427 4.350 -0.146 0.000 0.270 188 E C -1.771 174.659 176.600 -0.283 0.000 1.021 188 E CA -1.307 55.017 56.400 -0.126 0.000 0.887 188 E CB 0.483 30.134 29.700 -0.081 0.000 0.997 188 E HN 0.059 8.409 8.360 -0.017 0.000 0.429 189 P HA -0.055 2.952 4.420 -2.354 0.000 0.265 189 P C -1.857 175.127 177.300 -0.527 0.000 1.187 189 P CA 0.688 63.004 63.100 -1.307 0.000 0.766 189 P CB 0.498 31.347 31.700 -1.418 0.000 0.820 190 K N 2.292 122.468 120.400 -0.373 0.000 2.565 190 K HA 0.192 4.651 4.320 0.232 0.000 0.251 190 K C -2.265 174.369 176.600 0.056 0.000 0.956 190 K CA -0.523 55.798 56.287 0.058 0.000 0.809 190 K CB 2.110 34.622 32.500 0.019 0.000 1.267 190 K HN 0.049 7.888 8.250 -0.685 0.000 0.438 191 L N 3.849 124.970 121.223 -0.170 0.000 2.371 191 L HA 0.351 4.677 4.340 -0.198 -0.106 0.262 191 L C -1.173 175.317 176.870 -0.634 0.000 1.006 191 L CA -1.420 53.151 54.840 -0.448 0.000 0.818 191 L CB 3.356 44.949 42.059 -0.777 0.000 1.354 191 L HN 0.095 8.164 8.230 -0.268 0.000 0.415 192 D N 2.473 122.626 120.400 -0.412 0.000 2.558 192 D HA 0.116 4.636 4.640 -0.200 0.000 0.221 192 D C 0.426 176.586 176.300 -0.234 0.000 1.143 192 D CA -1.220 52.630 54.000 -0.249 0.000 1.010 192 D CB -0.878 39.852 40.800 -0.117 0.000 1.068 192 D HN 0.035 8.216 8.370 -0.316 0.000 0.511 193 F N 2.418 122.323 119.950 -0.075 0.000 2.293 193 F HA -0.294 4.192 4.527 -0.068 0.000 0.300 193 F C 1.674 177.443 175.800 -0.051 0.000 1.086 193 F CA 2.811 60.763 58.000 -0.081 0.000 1.375 193 F CB -0.027 38.893 39.000 -0.134 0.000 1.045 193 F HN -0.456 7.680 8.300 -0.272 0.000 0.516 194 E N 0.444 120.708 120.200 0.106 0.000 2.077 194 E HA -0.372 4.017 4.350 0.064 0.000 0.193 194 E C 2.284 178.907 176.600 0.038 0.000 0.989 194 E CA 2.995 59.430 56.400 0.059 0.000 0.800 194 E CB -0.529 29.191 29.700 0.032 0.000 0.746 194 E HN -0.033 8.361 8.360 0.082 0.016 0.452 195 R N -0.527 119.983 120.500 0.016 0.000 2.073 195 R HA -0.311 4.033 4.340 0.007 0.000 0.234 195 R C 2.390 178.702 176.300 0.021 0.000 1.134 195 R CA 3.247 59.351 56.100 0.006 0.000 0.952 195 R CB -0.081 30.208 30.300 -0.018 0.000 0.850 195 R HN -0.606 7.910 8.270 0.002 -0.244 0.433 196 L N -0.941 120.303 121.223 0.034 0.000 1.989 196 L HA -0.391 3.975 4.340 0.043 0.000 0.211 196 L C 1.673 178.580 176.870 0.061 0.000 1.071 196 L CA 3.413 58.288 54.840 0.058 0.000 0.749 196 L CB -0.289 41.835 42.059 0.110 0.000 0.890 196 L HN -0.468 7.780 8.230 0.030 0.000 0.431 197 Q N -2.075 117.765 119.800 0.067 0.000 2.124 197 Q HA -0.384 3.986 4.340 0.050 0.000 0.202 197 Q C 2.753 178.777 176.000 0.040 0.000 0.977 197 Q CA 3.192 59.026 55.803 0.050 0.000 0.850 197 Q CB -0.161 28.603 28.738 0.043 0.000 0.901 197 Q HN -0.304 8.014 8.270 0.080 0.000 0.429 198 E N 0.517 120.738 120.200 0.035 0.000 2.072 198 E HA -0.288 4.079 4.350 0.027 0.000 0.191 198 E C 2.449 179.068 176.600 0.033 0.000 0.985 198 E CA 2.955 59.372 56.400 0.029 0.000 0.801 198 E CB -0.036 29.676 29.700 0.021 0.000 0.750 198 E HN -0.569 7.812 8.360 0.035 0.000 0.452 199 V N -0.068 119.867 119.914 0.035 0.000 2.343 199 V HA -0.499 3.644 4.120 0.040 0.000 0.247 199 V C 2.164 178.289 176.094 0.051 0.000 1.051 199 V CA 4.180 66.504 62.300 0.040 0.000 1.036 199 V CB -0.109 31.735 31.823 0.035 0.000 0.654 199 V HN -0.217 7.993 8.190 0.033 0.000 0.451 200 K N 0.083 120.516 120.400 0.055 0.000 2.057 200 K HA -0.236 4.129 4.320 0.076 0.000 0.207 200 K C 1.839 178.481 176.600 0.070 0.000 1.049 200 K CA 2.385 58.714 56.287 0.069 0.000 0.931 200 K CB -0.505 32.037 32.500 0.069 0.000 0.714 200 K HN -0.214 8.067 8.250 0.052 0.000 0.440 201 R N -0.708 119.824 120.500 0.053 0.000 2.075 201 R HA -0.203 4.167 4.340 0.051 0.000 0.232 201 R C 2.091 178.420 176.300 0.048 0.000 1.126 201 R CA 2.890 59.019 56.100 0.047 0.000 0.963 201 R CB -0.216 30.104 30.300 0.034 0.000 0.858 201 R HN -0.545 7.753 8.270 0.047 0.000 0.435 202 L N -4.833 116.418 121.223 0.047 0.000 2.240 202 L HA -0.077 4.288 4.340 0.042 0.000 0.211 202 L C 1.530 178.433 176.870 0.056 0.000 1.106 202 L CA 2.069 56.937 54.840 0.047 0.000 0.793 202 L CB 0.340 42.425 42.059 0.045 0.000 0.927 202 L HN -0.475 7.783 8.230 0.046 0.000 0.446 203 T N -7.586 107.005 114.554 0.061 0.000 3.042 203 T HA -0.024 4.364 4.350 0.065 0.000 0.245 203 T C 0.903 175.634 174.700 0.050 0.000 1.029 203 T CA -0.116 62.022 62.100 0.062 0.000 1.120 203 T CB 1.734 70.643 68.868 0.069 0.000 0.917 203 T HN -0.490 7.787 8.240 0.062 0.000 0.467 204 N N 1.603 120.343 118.700 0.066 0.000 2.735 204 N HA -0.423 4.476 4.740 0.169 -0.057 0.248 204 N C -1.607 173.870 175.510 -0.055 0.000 1.083 204 N CA 1.406 54.511 53.050 0.090 0.000 0.703 204 N CB -1.520 37.024 38.487 0.095 0.000 1.005 204 N HN -0.177 8.249 8.380 0.077 0.000 0.550 205 I N -9.122 111.380 120.570 -0.114 0.000 3.108 205 I HA 0.639 4.513 4.170 -0.493 0.000 0.312 205 I C -2.222 173.740 176.117 -0.259 0.000 1.095 205 I CA -3.879 57.256 61.300 -0.276 0.000 1.000 205 I CB 1.245 39.206 38.000 -0.066 0.000 1.229 205 I HN -0.969 7.206 8.210 -0.028 0.018 0.454 206 P HA 0.157 4.802 4.420 -0.032 -0.244 0.268 206 P C -1.031 176.275 177.300 0.010 0.000 1.204 206 P CA -0.051 62.999 63.100 -0.083 0.000 0.768 206 P CB 0.199 31.833 31.700 -0.110 0.000 0.842 207 L N 1.056 122.283 121.223 0.005 0.000 2.322 207 L HA 0.805 5.353 4.340 0.059 -0.172 0.269 207 L C -0.509 176.348 176.870 -0.022 0.000 1.012 207 L CA -1.556 53.300 54.840 0.026 0.000 0.815 207 L CB 4.002 46.086 42.059 0.041 0.000 1.295 207 L HN -0.533 7.847 8.230 0.001 -0.149 0.438 208 V N -1.270 118.654 119.914 0.015 0.000 2.588 208 V HA 0.533 4.767 4.120 -0.111 -0.181 0.304 208 V C -1.550 174.580 176.094 0.059 0.000 1.042 208 V CA -1.510 60.779 62.300 -0.019 0.000 0.877 208 V CB 2.818 34.659 31.823 0.029 0.000 0.996 208 V HN 0.331 8.554 8.190 0.054 0.000 0.425 209 L N 7.181 128.408 121.223 0.007 0.000 2.280 209 L HA 0.488 4.898 4.340 0.117 0.000 0.287 209 L C -2.027 174.877 176.870 0.056 0.000 1.023 209 L CA -1.741 53.140 54.840 0.069 0.000 0.819 209 L CB 2.527 44.618 42.059 0.053 0.000 1.212 209 L HN 0.266 8.457 8.230 -0.064 0.000 0.420 210 H N 6.081 125.173 119.070 0.038 0.000 2.495 210 H HA 0.118 4.745 4.556 0.117 0.000 0.350 210 H C 0.508 175.896 175.328 0.099 0.000 1.202 210 H CA 0.621 56.733 56.048 0.108 0.000 1.322 210 H CB 2.391 32.259 29.762 0.176 0.000 1.544 210 H HN 0.571 9.069 8.280 0.364 0.000 0.565 211 G N -0.714 108.261 108.800 0.292 0.000 2.246 211 G HA2 -0.464 3.650 3.960 0.256 0.000 0.273 211 G HA3 -0.464 3.690 3.960 0.130 -0.116 0.273 211 G C -1.017 173.950 174.900 0.111 0.000 1.055 211 G CA 0.516 45.734 45.100 0.198 0.000 0.851 211 G HN 0.812 9.324 8.290 0.371 0.000 0.500 212 A N -3.065 119.812 122.820 0.096 0.000 2.379 212 A HA 0.165 4.560 4.320 0.125 0.000 0.236 212 A C -0.965 176.679 177.584 0.099 0.000 1.272 212 A CA -0.638 51.456 52.037 0.096 0.000 0.886 212 A CB 0.810 19.846 19.000 0.060 0.000 0.962 212 A HN -0.733 7.466 8.150 0.082 0.000 0.504 213 S N -2.299 113.448 115.700 0.078 0.000 2.568 213 S HA -0.219 4.402 4.470 0.102 -0.090 0.282 213 S C 0.314 174.963 174.600 0.082 0.000 1.338 213 S CA 0.430 58.676 58.200 0.077 0.000 1.045 213 S CB 0.557 63.776 63.200 0.033 0.000 0.873 213 S HN -0.677 7.624 8.310 0.067 0.050 0.516 214 A N 3.621 126.500 122.820 0.098 0.000 2.140 214 A HA 0.467 5.081 4.320 0.039 -0.270 0.209 214 A C -0.364 177.183 177.584 -0.061 0.000 1.181 214 A CA -0.681 51.382 52.037 0.044 0.000 0.824 214 A CB 1.634 20.723 19.000 0.148 0.000 0.879 214 A HN 0.373 9.062 8.150 0.123 -0.465 0.480 215 I N -2.845 117.706 120.570 -0.032 0.000 7.063 215 I HA -0.438 3.774 4.170 -0.048 -0.070 0.126 215 I C -3.006 173.056 176.117 -0.093 0.000 1.739 215 I CA -0.297 60.962 61.300 -0.068 0.000 2.259 215 I CB -2.249 35.683 38.000 -0.113 0.000 3.408 215 I HN -0.350 8.313 8.210 0.003 -0.451 0.232 216 P HA -0.047 4.220 4.420 -0.256 0.000 0.266 216 P C -0.196 177.082 177.300 -0.037 0.000 1.186 216 P CA 0.009 63.074 63.100 -0.058 0.000 0.767 216 P CB 0.585 32.398 31.700 0.189 0.000 0.820 217 D N 2.186 122.552 120.400 -0.057 0.000 2.133 217 D HA -0.390 4.232 4.640 -0.031 0.000 0.195 217 D C 1.568 177.881 176.300 0.023 0.000 0.997 217 D CA 4.150 58.138 54.000 -0.021 0.000 0.840 217 D CB -0.183 40.605 40.800 -0.020 0.000 0.947 217 D HN 0.463 8.774 8.370 -0.099 0.000 0.452 218 N N -1.448 117.281 118.700 0.049 0.000 2.244 218 N HA -0.233 4.536 4.740 0.048 0.000 0.183 218 N C 2.068 177.616 175.510 0.063 0.000 1.016 218 N CA 2.865 55.949 53.050 0.057 0.000 0.866 218 N CB -1.012 37.515 38.487 0.068 0.000 0.980 218 N HN 0.491 8.910 8.380 0.065 0.000 0.430 219 V N 2.170 122.124 119.914 0.068 0.000 2.323 219 V HA -0.471 3.702 4.120 0.087 0.000 0.244 219 V C 1.522 177.666 176.094 0.085 0.000 1.041 219 V CA 3.817 66.163 62.300 0.076 0.000 1.025 219 V CB -0.134 31.729 31.823 0.066 0.000 0.656 219 V HN -0.977 7.239 8.190 0.067 0.015 0.451 220 R N -0.489 120.042 120.500 0.051 0.000 2.096 220 R HA -0.453 3.931 4.340 0.073 0.000 0.240 220 R C 1.598 177.960 176.300 0.102 0.000 1.139 220 R CA 3.908 60.046 56.100 0.064 0.000 0.952 220 R CB -0.287 30.026 30.300 0.021 0.000 0.854 220 R HN -0.155 8.132 8.270 0.029 0.000 0.436 221 K N -1.329 119.114 120.400 0.071 0.000 2.026 221 K HA -0.313 4.042 4.320 0.058 0.000 0.208 221 K C 2.111 178.755 176.600 0.073 0.000 1.048 221 K CA 3.515 59.840 56.287 0.062 0.000 0.929 221 K CB -0.298 32.228 32.500 0.043 0.000 0.713 221 K HN -0.256 8.027 8.250 0.057 0.001 0.439 222 S N -0.196 115.555 115.700 0.085 0.000 2.370 222 S HA -0.341 4.161 4.470 0.053 0.000 0.226 222 S C 2.029 176.694 174.600 0.108 0.000 1.033 222 S CA 3.607 61.856 58.200 0.083 0.000 1.011 222 S CB 0.059 63.312 63.200 0.089 0.000 0.852 222 S HN -0.517 7.843 8.310 0.085 0.000 0.457 223 Y N 2.837 123.155 120.300 0.030 0.000 2.200 223 Y HA -0.360 4.216 4.550 0.043 0.000 0.290 223 Y C 1.648 177.569 175.900 0.034 0.000 1.137 223 Y CA 3.856 61.978 58.100 0.037 0.000 1.163 223 Y CB 0.181 38.663 38.460 0.036 0.000 0.988 223 Y HN -0.419 8.021 8.280 0.267 0.000 0.518 224 L N -1.217 120.078 121.223 0.120 0.000 2.093 224 L HA -0.315 4.209 4.340 0.033 -0.165 0.208 224 L C 2.969 179.831 176.870 -0.013 0.000 1.085 224 L CA 2.522 57.390 54.840 0.047 0.000 0.755 224 L CB -0.481 41.624 42.059 0.076 0.000 0.904 224 L HN 0.003 8.338 8.230 0.176 0.000 0.435 225 D N 0.312 120.711 120.400 -0.002 0.000 2.178 225 D HA -0.214 4.422 4.640 -0.007 0.000 0.201 225 D C 1.098 177.374 176.300 -0.040 0.000 0.980 225 D CA 2.695 56.688 54.000 -0.012 0.000 0.842 225 D CB -0.439 40.361 40.800 0.000 0.000 0.948 225 D HN -0.011 8.371 8.370 0.020 0.000 0.472 226 A N -3.783 118.991 122.820 -0.076 0.000 2.259 226 A HA -0.022 4.256 4.320 -0.069 0.000 0.208 226 A C -0.225 177.273 177.584 -0.143 0.000 1.201 226 A CA -0.216 51.758 52.037 -0.105 0.000 0.824 226 A CB 0.067 18.992 19.000 -0.123 0.000 0.838 226 A HN -0.639 7.445 8.150 -0.083 0.017 0.485 227 G N -2.718 106.003 108.800 -0.132 0.000 2.157 227 G HA2 -0.282 3.638 3.960 -0.066 0.000 0.239 227 G HA3 -0.282 3.626 3.960 -0.085 0.000 0.239 227 G C 0.192 175.001 174.900 -0.151 0.000 0.982 227 G CA -0.165 44.872 45.100 -0.105 0.000 0.650 227 G HN -0.296 7.731 8.290 -0.111 0.197 0.527 228 G N -0.068 108.532 108.800 -0.333 0.000 2.572 228 G HA2 -0.036 3.765 3.960 -0.265 0.000 0.261 228 G HA3 -0.036 3.261 3.960 -1.105 0.000 0.261 228 G C -1.928 172.996 174.900 0.040 0.000 1.197 228 G CA -0.937 43.919 45.100 -0.407 0.000 0.870 228 G HN -0.392 7.605 8.290 -0.422 0.040 0.548 229 D N -1.343 119.219 120.400 0.270 0.000 2.381 229 D HA 0.207 4.959 4.640 0.188 0.000 0.235 229 D C -0.744 175.751 176.300 0.325 0.000 1.068 229 D CA -0.818 53.330 54.000 0.247 0.000 0.832 229 D CB 0.589 41.493 40.800 0.174 0.000 1.101 229 D HN 0.101 8.692 8.370 0.367 0.000 0.515 230 L N 4.442 125.816 121.223 0.252 0.000 3.347 230 L HA 0.127 4.584 4.340 0.195 0.000 0.306 230 L C -1.054 175.943 176.870 0.211 0.000 1.301 230 L CA -0.939 54.013 54.840 0.187 0.000 0.985 230 L CB 0.898 43.007 42.059 0.083 0.000 1.400 230 L HN 0.369 8.728 8.230 0.216 0.000 0.601 231 K N 1.837 122.374 120.400 0.228 0.000 2.451 231 K HA -0.201 4.206 4.320 0.145 0.000 0.280 231 K C 0.712 177.475 176.600 0.271 0.000 1.020 231 K CA 2.233 58.630 56.287 0.184 0.000 1.008 231 K CB 0.233 32.803 32.500 0.117 0.000 0.917 231 K HN -0.284 8.407 8.250 0.217 -0.310 0.478 232 G N 3.930 112.855 108.800 0.208 0.000 2.176 232 G HA2 -0.352 3.703 3.960 0.159 0.000 0.253 232 G HA3 -0.352 3.747 3.960 0.231 0.000 0.253 232 G C -0.560 174.543 174.900 0.339 0.000 0.979 232 G CA -0.310 44.932 45.100 0.237 0.000 0.641 232 G HN 0.445 8.825 8.290 0.150 0.000 0.530 233 S N 0.934 116.773 115.700 0.232 0.000 2.549 233 S HA -0.123 4.362 4.470 -0.156 -0.109 0.279 233 S C -0.742 173.835 174.600 -0.037 0.000 1.321 233 S CA 0.272 58.417 58.200 -0.091 0.000 1.054 233 S CB 1.617 64.586 63.200 -0.384 0.000 0.899 233 S HN -0.563 7.816 8.310 0.206 0.055 0.497 234 K N 4.783 125.153 120.400 -0.050 0.000 2.553 234 K HA 0.341 4.661 4.320 0.001 0.000 0.250 234 K C -1.508 175.110 176.600 0.029 0.000 0.953 234 K CA -0.797 55.509 56.287 0.031 0.000 0.800 234 K CB 3.804 36.400 32.500 0.160 0.000 1.243 234 K HN -0.048 8.142 8.250 -0.101 0.000 0.435 235 G N 2.768 111.580 108.800 0.020 0.000 2.613 235 G HA2 0.574 4.541 3.960 0.011 0.000 0.303 235 G HA3 0.574 4.559 3.960 -0.011 -0.031 0.303 235 G C -1.199 173.811 174.900 0.183 0.000 1.312 235 G CA -1.996 43.128 45.100 0.040 0.000 1.036 235 G HN -0.151 8.128 8.290 -0.017 0.000 0.513 236 V N 1.674 121.703 119.914 0.193 0.000 2.470 236 V HA 0.039 4.318 4.120 0.266 0.000 0.276 236 V C -1.300 174.811 176.094 0.027 0.000 1.040 236 V CA -1.911 60.514 62.300 0.208 0.000 1.008 236 V CB 0.195 32.183 31.823 0.275 0.000 0.990 236 V HN 0.047 8.327 8.190 0.150 0.000 0.477 237 P HA 0.008 4.252 4.420 -0.294 0.000 0.267 237 P C 0.077 177.429 177.300 0.085 0.000 1.200 237 P CA -0.111 62.863 63.100 -0.210 0.000 0.772 237 P CB 0.680 32.124 31.700 -0.426 0.000 0.855 238 F N 1.984 121.959 119.950 0.042 0.000 2.192 238 F HA -0.414 4.163 4.527 0.082 0.000 0.301 238 F C 1.819 177.686 175.800 0.113 0.000 1.079 238 F CA 3.134 61.178 58.000 0.074 0.000 1.303 238 F CB -0.777 38.250 39.000 0.046 0.000 1.024 238 F HN 0.483 8.665 8.300 -0.197 0.000 0.494 239 E N -1.769 118.620 120.200 0.314 0.000 2.152 239 E HA -0.241 4.235 4.350 0.209 0.000 0.192 239 E C 2.347 179.163 176.600 0.361 0.000 0.983 239 E CA 3.189 59.756 56.400 0.277 0.000 0.818 239 E CB -0.917 28.932 29.700 0.248 0.000 0.758 239 E HN 0.434 8.918 8.360 0.249 0.025 0.467 240 F N -0.281 119.749 119.950 0.134 0.000 2.146 240 F HA -0.186 4.474 4.527 0.222 0.000 0.298 240 F C 1.917 177.850 175.800 0.221 0.000 1.096 240 F CA 1.842 59.983 58.000 0.235 0.000 1.275 240 F CB -0.346 38.837 39.000 0.305 0.000 1.008 240 F HN -0.665 7.912 8.300 0.617 0.093 0.480 241 L N -1.644 119.810 121.223 0.385 0.000 2.046 241 L HA -0.495 4.003 4.340 0.262 0.000 0.208 241 L C 2.318 179.281 176.870 0.154 0.000 1.077 241 L CA 3.413 58.407 54.840 0.257 0.000 0.747 241 L CB -0.833 41.368 42.059 0.238 0.000 0.896 241 L HN -0.453 8.017 8.230 0.400 0.000 0.432 242 Q N -1.977 117.899 119.800 0.126 0.000 2.119 242 Q HA -0.384 3.981 4.340 0.042 0.000 0.201 242 Q C 2.740 178.724 176.000 -0.026 0.000 0.972 242 Q CA 3.419 59.249 55.803 0.046 0.000 0.847 242 Q CB -0.202 28.560 28.738 0.039 0.000 0.903 242 Q HN -0.441 7.927 8.270 0.164 0.000 0.433 243 E N -0.397 119.742 120.200 -0.103 0.000 2.110 243 E HA -0.265 3.898 4.350 -0.312 0.000 0.193 243 E C 2.732 179.181 176.600 -0.252 0.000 0.988 243 E CA 2.672 58.861 56.400 -0.353 0.000 0.804 243 E CB -0.499 28.671 29.700 -0.883 0.000 0.745 243 E HN -0.462 7.863 8.360 -0.058 0.000 0.458 244 S N 0.558 116.262 115.700 0.006 0.000 2.356 244 S HA -0.236 4.382 4.470 0.247 0.000 0.223 244 S C 2.428 177.065 174.600 0.062 0.000 1.032 244 S CA 3.562 61.858 58.200 0.160 0.000 1.005 244 S CB -0.525 62.816 63.200 0.235 0.000 0.867 244 S HN -0.079 8.190 8.310 0.077 0.087 0.449 245 V N 2.248 122.182 119.914 0.034 0.000 2.343 245 V HA -0.412 3.913 4.120 0.013 -0.197 0.247 245 V C 2.803 178.891 176.094 -0.009 0.000 1.051 245 V CA 3.802 66.110 62.300 0.014 0.000 1.036 245 V CB -0.358 31.479 31.823 0.023 0.000 0.654 245 V HN -0.485 7.730 8.190 0.040 0.000 0.451 246 K N -1.217 119.162 120.400 -0.035 0.000 2.147 246 K HA -0.262 4.033 4.320 -0.041 0.000 0.205 246 K C 1.870 178.443 176.600 -0.045 0.000 1.049 246 K CA 2.639 58.894 56.287 -0.053 0.000 0.936 246 K CB -0.248 32.197 32.500 -0.092 0.000 0.722 246 K HN -0.442 7.779 8.250 -0.047 0.000 0.446 247 G N -5.457 103.324 108.800 -0.032 0.000 2.920 247 G HA2 0.098 4.054 3.960 -0.007 0.000 0.208 247 G HA3 0.098 4.078 3.960 0.033 0.000 0.208 247 G C -0.739 174.180 174.900 0.032 0.000 1.159 247 G CA -0.321 44.783 45.100 0.007 0.000 0.784 247 G HN -0.460 7.688 8.290 -0.035 0.121 0.535 248 G N -2.321 106.493 108.800 0.023 0.000 2.227 248 G HA2 -0.220 3.755 3.960 0.025 0.000 0.168 248 G HA3 -0.220 3.772 3.960 0.054 0.000 0.168 248 G C -0.764 174.158 174.900 0.037 0.000 1.006 248 G CA -0.547 44.575 45.100 0.037 0.000 0.684 248 G HN -0.652 7.486 8.290 0.011 0.158 0.489 249 I N 1.961 122.547 120.570 0.028 0.000 2.533 249 I HA -0.319 3.968 4.170 0.001 -0.117 0.284 249 I C -0.863 175.229 176.117 -0.043 0.000 1.109 249 I CA -0.128 61.173 61.300 0.003 0.000 1.412 249 I CB -1.791 36.224 38.000 0.024 0.000 1.396 249 I HN -0.403 7.830 8.210 0.038 0.000 0.543 250 N N 6.290 124.933 118.700 -0.095 0.000 2.257 250 N HA 0.260 5.063 4.740 -0.150 -0.152 0.200 250 N C -0.840 174.520 175.510 -0.250 0.000 1.163 250 N CA 0.466 53.417 53.050 -0.165 0.000 0.891 250 N CB 3.311 41.696 38.487 -0.169 0.000 1.067 250 N HN 0.674 8.994 8.380 -0.100 0.000 0.497 251 K N 1.219 121.444 120.400 -0.292 0.000 2.471 251 K HA 0.658 4.907 4.320 -0.454 -0.202 0.252 251 K C -2.610 173.797 176.600 -0.323 0.000 0.938 251 K CA -1.113 54.912 56.287 -0.436 0.000 0.796 251 K CB 3.522 35.607 32.500 -0.691 0.000 1.161 251 K HN -0.643 7.466 8.250 -0.235 0.000 0.425 252 V N 7.293 127.012 119.914 -0.325 0.000 2.325 252 V HA 0.317 4.325 4.120 -0.186 0.000 0.280 252 V C -1.444 174.453 176.094 -0.328 0.000 1.016 252 V CA -1.525 60.630 62.300 -0.242 0.000 0.818 252 V CB 1.376 33.111 31.823 -0.148 0.000 1.019 252 V HN 0.353 8.321 8.190 -0.370 0.000 0.434 253 N N 9.146 127.662 118.700 -0.306 0.000 2.452 253 N HA 0.175 4.887 4.740 -0.352 -0.183 0.266 253 N C -0.971 174.435 175.510 -0.175 0.000 1.175 253 N CA 0.440 53.309 53.050 -0.301 0.000 0.945 253 N CB 0.480 38.748 38.487 -0.364 0.000 1.063 253 N HN 0.179 8.387 8.380 -0.287 0.000 0.472 254 T N 5.279 119.721 114.554 -0.186 0.000 2.881 254 T HA 0.312 4.664 4.350 0.003 0.000 0.291 254 T C -2.211 172.529 174.700 0.067 0.000 0.990 254 T CA 0.106 62.187 62.100 -0.033 0.000 0.976 254 T CB 2.400 71.276 68.868 0.014 0.000 0.970 254 T HN 0.342 8.424 8.240 -0.264 0.000 0.438 255 D N 5.778 126.213 120.400 0.059 0.000 2.829 255 D HA 0.278 4.971 4.640 0.087 0.000 0.250 255 D C 0.715 177.030 176.300 0.026 0.000 1.304 255 D CA 1.640 55.669 54.000 0.049 0.000 1.197 255 D CB 1.145 41.941 40.800 -0.006 0.000 1.501 255 D HN -0.159 8.238 8.370 0.044 0.000 0.424 256 T N 3.094 117.648 114.554 -0.001 0.000 2.665 256 T HA -0.426 3.894 4.350 -0.050 0.000 0.268 256 T C 1.766 176.452 174.700 -0.024 0.000 1.035 256 T CA 5.344 67.423 62.100 -0.035 0.000 1.151 256 T CB -0.168 68.663 68.868 -0.062 0.000 0.862 256 T HN -0.209 8.030 8.240 -0.000 0.000 0.438 257 D N 0.905 121.315 120.400 0.017 0.000 2.133 257 D HA -0.239 4.406 4.640 0.009 0.000 0.195 257 D C 2.221 178.559 176.300 0.063 0.000 0.997 257 D CA 3.395 57.419 54.000 0.041 0.000 0.840 257 D CB -0.465 40.392 40.800 0.095 0.000 0.947 257 D HN -0.483 7.906 8.370 0.033 0.000 0.452 258 L N -1.292 119.982 121.223 0.085 0.000 2.017 258 L HA -0.304 4.099 4.340 0.105 0.000 0.208 258 L C 1.943 178.875 176.870 0.105 0.000 1.073 258 L CA 3.252 58.150 54.840 0.097 0.000 0.745 258 L CB -0.484 41.633 42.059 0.097 0.000 0.894 258 L HN -0.704 7.573 8.230 0.093 0.009 0.432 259 R N -1.461 119.068 120.500 0.048 0.000 2.092 259 R HA -0.302 4.068 4.340 0.051 0.000 0.231 259 R C 2.805 179.160 176.300 0.092 0.000 1.119 259 R CA 3.459 59.584 56.100 0.043 0.000 0.970 259 R CB -0.207 30.075 30.300 -0.030 0.000 0.864 259 R HN -0.717 7.568 8.270 0.024 0.000 0.440 260 I N -0.130 120.442 120.570 0.004 0.000 2.202 260 I HA -0.478 3.594 4.170 -0.163 0.000 0.242 260 I C 1.414 177.606 176.117 0.125 0.000 1.091 260 I CA 3.882 65.138 61.300 -0.074 0.000 1.368 260 I CB -0.280 37.590 38.000 -0.218 0.000 1.058 260 I HN -0.210 7.987 8.210 -0.021 0.000 0.410 261 A N -0.277 122.621 122.820 0.130 0.000 1.908 261 A HA -0.338 4.070 4.320 0.146 0.000 0.218 261 A C 1.714 179.423 177.584 0.208 0.000 1.181 261 A CA 3.096 55.228 52.037 0.157 0.000 0.627 261 A CB -0.822 18.253 19.000 0.126 0.000 0.818 261 A HN -0.446 7.764 8.150 0.099 0.000 0.445 262 F N -0.458 119.549 119.950 0.096 0.000 2.098 262 F HA -0.240 4.504 4.527 0.111 -0.150 0.294 262 F C 1.479 177.381 175.800 0.169 0.000 1.107 262 F CA 3.100 61.168 58.000 0.113 0.000 1.234 262 F CB 1.217 40.263 39.000 0.076 0.000 1.002 262 F HN -0.651 7.857 8.300 0.368 0.013 0.472 263 I N -1.889 118.972 120.570 0.486 0.000 2.546 263 I HA -0.472 3.969 4.170 0.451 0.000 0.255 263 I C 1.778 178.088 176.117 0.322 0.000 1.163 263 I CA 1.293 62.851 61.300 0.430 0.000 1.457 263 I CB -1.478 36.779 38.000 0.428 0.000 1.092 263 I HN -0.192 8.300 8.210 0.470 0.000 0.434 264 A N -0.092 122.940 122.820 0.354 0.000 1.908 264 A HA -0.375 4.024 4.320 0.131 0.000 0.218 264 A C 1.850 179.488 177.584 0.089 0.000 1.181 264 A CA 3.660 55.833 52.037 0.227 0.000 0.627 264 A CB -0.845 18.323 19.000 0.280 0.000 0.818 264 A HN 0.104 8.491 8.150 0.395 0.000 0.445 265 E N -2.245 117.995 120.200 0.066 0.000 2.152 265 E HA -0.211 4.138 4.350 -0.001 0.000 0.192 265 E C 2.454 179.074 176.600 0.033 0.000 0.983 265 E CA 2.200 58.602 56.400 0.003 0.000 0.818 265 E CB -0.469 29.194 29.700 -0.062 0.000 0.758 265 E HN -0.585 7.818 8.360 0.072 0.000 0.467 266 V N 0.753 120.729 119.914 0.103 0.000 2.343 266 V HA -0.516 3.798 4.120 0.324 0.000 0.247 266 V C 2.017 178.251 176.094 0.233 0.000 1.051 266 V CA 4.569 67.020 62.300 0.252 0.000 1.036 266 V CB -0.293 31.728 31.823 0.331 0.000 0.654 266 V HN -0.751 7.415 8.190 0.100 0.085 0.451 267 R N -1.943 118.637 120.500 0.134 0.000 2.096 267 R HA -0.355 4.044 4.340 0.099 0.000 0.235 267 R C 2.114 178.436 176.300 0.037 0.000 1.127 267 R CA 3.735 59.877 56.100 0.069 0.000 0.968 267 R CB -0.328 29.951 30.300 -0.035 0.000 0.861 267 R HN -0.208 8.135 8.270 0.122 0.000 0.440 268 K N 0.265 120.672 120.400 0.011 0.000 2.025 268 K HA -0.260 4.043 4.320 -0.028 0.000 0.207 268 K C 2.182 178.754 176.600 -0.047 0.000 1.049 268 K CA 3.205 59.478 56.287 -0.023 0.000 0.933 268 K CB -0.147 32.334 32.500 -0.032 0.000 0.714 268 K HN -0.600 7.575 8.250 0.017 0.085 0.438 269 V N -0.692 119.173 119.914 -0.081 0.000 2.332 269 V HA -0.507 3.469 4.120 -0.240 0.000 0.248 269 V C 1.732 177.731 176.094 -0.158 0.000 1.055 269 V CA 3.914 66.070 62.300 -0.240 0.000 1.038 269 V CB -0.093 31.388 31.823 -0.570 0.000 0.651 269 V HN -0.499 7.657 8.190 -0.055 0.000 0.450 270 A N -2.001 120.873 122.820 0.090 0.000 1.933 270 A HA -0.284 4.200 4.320 0.273 0.000 0.218 270 A C 2.247 179.877 177.584 0.076 0.000 1.175 270 A CA 2.955 55.116 52.037 0.206 0.000 0.628 270 A CB -0.483 18.681 19.000 0.274 0.000 0.814 270 A HN -0.368 7.879 8.150 0.163 0.000 0.444 271 N N -2.332 116.387 118.700 0.031 0.000 2.188 271 N HA -0.219 4.531 4.740 0.018 0.000 0.184 271 N C 1.691 177.195 175.510 -0.011 0.000 1.018 271 N CA 2.390 55.444 53.050 0.008 0.000 0.858 271 N CB -0.150 38.332 38.487 -0.008 0.000 0.989 271 N HN -0.297 7.999 8.380 0.027 0.100 0.426 272 E N -3.199 116.979 120.200 -0.036 0.000 2.447 272 E HA 0.027 4.355 4.350 -0.036 0.000 0.195 272 E C -0.569 175.997 176.600 -0.057 0.000 1.028 272 E CA 0.839 57.210 56.400 -0.049 0.000 0.876 272 E CB 1.070 30.730 29.700 -0.065 0.000 0.885 272 E HN -0.572 7.759 8.360 -0.049 0.000 0.500 273 D N -0.763 119.600 120.400 -0.061 0.000 2.319 273 D HA 0.112 4.727 4.640 -0.042 0.000 0.237 273 D C -0.309 175.984 176.300 -0.013 0.000 1.353 273 D CA -0.798 53.168 54.000 -0.057 0.000 0.992 273 D CB 0.486 41.219 40.800 -0.111 0.000 1.368 273 D HN -0.697 7.638 8.370 -0.058 0.000 0.564 274 K N 4.410 124.822 120.400 0.019 0.000 2.362 274 K HA -0.110 4.257 4.320 0.079 0.000 0.200 274 K C 0.746 177.406 176.600 0.099 0.000 1.046 274 K CA 1.476 57.800 56.287 0.062 0.000 0.952 274 K CB -0.644 31.886 32.500 0.050 0.000 0.753 274 K HN 0.483 8.739 8.250 0.011 0.000 0.466 275 S N -2.344 113.398 115.700 0.069 0.000 2.575 275 S HA 0.033 4.614 4.470 0.184 0.000 0.215 275 S C -0.070 174.566 174.600 0.061 0.000 0.966 275 S CA -0.227 58.037 58.200 0.108 0.000 0.911 275 S CB 0.320 63.549 63.200 0.049 0.000 0.780 275 S HN -0.448 8.097 8.310 0.029 -0.218 0.514 276 Q N 3.216 123.027 119.800 0.019 0.000 2.295 276 Q HA -0.067 4.107 4.340 -0.275 0.000 0.259 276 Q C -0.780 175.324 176.000 0.174 0.000 0.976 276 Q CA 0.210 55.951 55.803 -0.103 0.000 0.923 276 Q CB 0.085 28.683 28.738 -0.233 0.000 1.185 276 Q HN -0.837 7.398 8.270 0.037 0.056 0.410 277 F N 1.006 121.055 119.950 0.165 0.000 2.859 277 F HA 0.324 5.073 4.527 0.369 0.000 0.324 277 F C -1.406 174.493 175.800 0.165 0.000 1.158 277 F CA -2.196 55.935 58.000 0.218 0.000 1.147 277 F CB 0.784 39.846 39.000 0.103 0.000 1.137 277 F HN -0.000 7.886 8.300 -0.689 0.000 0.516 278 D N 3.495 123.912 120.400 0.028 0.000 2.338 278 D HA -0.008 4.690 4.640 0.096 0.000 0.255 278 D C 0.800 177.191 176.300 0.152 0.000 1.237 278 D CA -0.227 53.805 54.000 0.054 0.000 0.883 278 D CB 0.855 41.613 40.800 -0.071 0.000 1.087 278 D HN -0.452 8.124 8.370 -0.143 -0.291 0.485 279 L N 5.807 127.110 121.223 0.132 0.000 2.081 279 L HA -0.418 3.853 4.340 -0.114 0.000 0.212 279 L C 1.602 178.453 176.870 -0.030 0.000 1.080 279 L CA 3.165 58.008 54.840 0.004 0.000 0.754 279 L CB 0.036 42.172 42.059 0.128 0.000 0.893 279 L HN 0.524 8.838 8.230 0.139 0.000 0.433 280 R N -2.745 117.810 120.500 0.092 0.000 2.152 280 R HA -0.398 4.067 4.340 0.208 0.000 0.232 280 R C 2.379 178.696 176.300 0.029 0.000 1.117 280 R CA 3.516 59.685 56.100 0.116 0.000 0.981 280 R CB -0.476 29.888 30.300 0.106 0.000 0.870 280 R HN -0.359 8.179 8.270 0.101 -0.207 0.451 281 K N -1.823 118.546 120.400 -0.052 0.000 2.288 281 K HA -0.190 4.051 4.320 -0.132 0.000 0.201 281 K C 1.343 177.764 176.600 -0.299 0.000 1.048 281 K CA 2.011 58.191 56.287 -0.178 0.000 0.956 281 K CB -0.438 31.905 32.500 -0.262 0.000 0.746 281 K HN -0.581 7.628 8.250 -0.035 0.020 0.461 282 F N -2.495 117.275 119.950 -0.300 0.000 2.219 282 F HA -0.191 4.191 4.527 -0.241 0.000 0.294 282 F C 1.612 177.273 175.800 -0.231 0.000 1.086 282 F CA 3.675 61.450 58.000 -0.375 0.000 1.330 282 F CB 0.629 39.188 39.000 -0.735 0.000 1.047 282 F HN -0.685 7.470 8.300 -0.043 0.120 0.495 283 F N -3.742 116.302 119.950 0.158 0.000 2.754 283 F HA 0.045 4.506 4.527 -0.110 0.000 0.297 283 F C 1.694 177.489 175.800 -0.009 0.000 1.122 283 F CA -0.798 57.232 58.000 0.049 0.000 1.400 283 F CB -0.744 38.386 39.000 0.217 0.000 1.117 283 F HN -0.267 7.934 8.300 -0.014 0.090 0.587 284 S N 1.000 116.789 115.700 0.148 0.000 2.357 284 S HA 0.005 4.543 4.470 0.113 0.000 0.221 284 S C -0.782 173.825 174.600 0.012 0.000 1.031 284 S CA 5.119 63.367 58.200 0.081 0.000 0.982 284 S CB -2.631 60.601 63.200 0.054 0.000 0.853 284 S HN -0.156 8.223 8.310 0.115 0.000 0.458 285 P HA -0.086 4.309 4.420 -0.042 0.000 0.217 285 P C 0.584 177.825 177.300 -0.098 0.000 1.150 285 P CA 2.208 65.273 63.100 -0.058 0.000 0.832 285 P CB -0.618 31.036 31.700 -0.077 0.000 0.787 286 A N -2.467 120.233 122.820 -0.199 0.000 1.902 286 A HA -0.290 3.804 4.320 -0.376 0.000 0.217 286 A C 2.146 179.539 177.584 -0.318 0.000 1.181 286 A CA 3.048 54.784 52.037 -0.502 0.000 0.623 286 A CB -0.772 17.469 19.000 -1.266 0.000 0.818 286 A HN -0.623 7.428 8.150 -0.164 0.000 0.443 287 Q N -1.391 118.342 119.800 -0.112 0.000 2.084 287 Q HA -0.343 4.116 4.340 0.197 0.000 0.202 287 Q C 2.425 178.448 176.000 0.038 0.000 0.978 287 Q CA 3.102 58.951 55.803 0.077 0.000 0.844 287 Q CB -0.021 28.771 28.738 0.090 0.000 0.898 287 Q HN -0.405 7.811 8.270 -0.090 0.000 0.426 288 L N -0.416 120.810 121.223 0.006 0.000 2.046 288 L HA -0.318 4.025 4.340 0.004 0.000 0.208 288 L C 1.070 177.943 176.870 0.004 0.000 1.077 288 L CA 3.035 57.877 54.840 0.002 0.000 0.747 288 L CB -0.540 41.516 42.059 -0.005 0.000 0.896 288 L HN -0.530 7.696 8.230 -0.006 0.000 0.432 289 A N -1.444 121.378 122.820 0.004 0.000 1.930 289 A HA -0.334 3.998 4.320 0.019 0.000 0.217 289 A C 1.881 179.494 177.584 0.048 0.000 1.175 289 A CA 3.135 55.186 52.037 0.024 0.000 0.627 289 A CB -0.743 18.272 19.000 0.026 0.000 0.815 289 A HN -0.314 7.827 8.150 -0.014 0.000 0.443 290 L N -1.023 120.250 121.223 0.082 0.000 2.027 290 L HA -0.426 3.975 4.340 0.100 0.000 0.206 290 L C 1.469 178.341 176.870 0.003 0.000 1.074 290 L CA 2.991 57.888 54.840 0.096 0.000 0.745 290 L CB -0.151 42.034 42.059 0.209 0.000 0.898 290 L HN -0.491 7.795 8.230 0.093 0.000 0.433 291 K N -0.871 119.522 120.400 -0.012 0.000 2.044 291 K HA -0.460 3.790 4.320 -0.115 0.000 0.210 291 K C 2.142 178.697 176.600 -0.075 0.000 1.049 291 K CA 3.487 59.733 56.287 -0.069 0.000 0.927 291 K CB -0.326 32.146 32.500 -0.047 0.000 0.713 291 K HN 0.159 8.418 8.250 0.014 0.000 0.443 292 N N -1.427 117.252 118.700 -0.035 0.000 2.188 292 N HA -0.208 4.508 4.740 -0.040 0.000 0.184 292 N C 2.352 177.846 175.510 -0.027 0.000 1.018 292 N CA 2.704 55.737 53.050 -0.029 0.000 0.858 292 N CB -0.308 38.176 38.487 -0.006 0.000 0.989 292 N HN -0.403 7.967 8.380 -0.017 0.000 0.426 293 V N 0.982 120.891 119.914 -0.008 0.000 2.295 293 V HA -0.502 3.640 4.120 0.037 0.000 0.246 293 V C 1.490 177.568 176.094 -0.027 0.000 1.049 293 V CA 4.517 66.827 62.300 0.016 0.000 1.024 293 V CB -0.016 31.839 31.823 0.054 0.000 0.648 293 V HN -0.504 7.686 8.190 0.001 0.000 0.447 294 V N 0.030 119.866 119.914 -0.130 0.000 2.295 294 V HA -0.621 3.331 4.120 -0.279 0.000 0.246 294 V C 1.689 177.671 176.094 -0.187 0.000 1.049 294 V CA 4.787 66.904 62.300 -0.306 0.000 1.024 294 V CB -0.365 31.083 31.823 -0.624 0.000 0.648 294 V HN -0.416 7.692 8.190 -0.138 0.000 0.447 295 K N -0.598 119.714 120.400 -0.146 0.000 2.063 295 K HA -0.338 3.913 4.320 -0.116 0.000 0.208 295 K C 2.636 179.189 176.600 -0.078 0.000 1.048 295 K CA 3.660 59.883 56.287 -0.106 0.000 0.928 295 K CB -0.280 32.168 32.500 -0.088 0.000 0.713 295 K HN -0.131 8.035 8.250 -0.140 0.000 0.442 296 E N -1.765 118.392 120.200 -0.072 0.000 2.150 296 E HA -0.272 4.019 4.350 -0.099 0.000 0.193 296 E C 2.684 179.215 176.600 -0.115 0.000 0.985 296 E CA 2.598 58.940 56.400 -0.096 0.000 0.814 296 E CB -0.389 29.254 29.700 -0.095 0.000 0.752 296 E HN -0.509 7.813 8.360 -0.064 0.000 0.466 297 R N 0.004 120.475 120.500 -0.047 0.000 2.090 297 R HA -0.158 4.141 4.340 -0.069 0.000 0.228 297 R C 2.390 178.712 176.300 0.038 0.000 1.110 297 R CA 2.041 58.147 56.100 0.009 0.000 0.973 297 R CB -0.529 29.871 30.300 0.167 0.000 0.869 297 R HN -0.451 7.705 8.270 -0.024 0.099 0.440 298 M N -0.113 119.515 119.600 0.047 0.000 2.117 298 M HA -0.405 4.129 4.480 0.090 0.000 0.262 298 M C 2.220 178.507 176.300 -0.021 0.000 1.065 298 M CA 4.310 59.633 55.300 0.039 0.000 1.114 298 M CB -0.020 32.581 32.600 0.001 0.000 1.361 298 M HN -0.096 8.209 8.290 0.025 0.000 0.408 299 K N -1.860 118.507 120.400 -0.054 0.000 2.057 299 K HA -0.373 3.905 4.320 -0.070 0.000 0.207 299 K C 2.749 179.304 176.600 -0.075 0.000 1.049 299 K CA 3.080 59.324 56.287 -0.072 0.000 0.931 299 K CB -0.104 32.347 32.500 -0.081 0.000 0.714 299 K HN -0.665 7.548 8.250 -0.060 0.000 0.440 300 L N -0.759 120.404 121.223 -0.100 0.000 2.017 300 L HA -0.287 3.982 4.340 -0.119 0.000 0.208 300 L C 1.158 178.004 176.870 -0.041 0.000 1.073 300 L CA 2.773 57.546 54.840 -0.112 0.000 0.745 300 L CB 0.042 41.978 42.059 -0.205 0.000 0.894 300 L HN -0.552 7.610 8.230 -0.113 0.000 0.432 301 L N -7.446 113.771 121.223 -0.009 0.000 2.478 301 L HA -0.052 4.309 4.340 0.035 0.000 0.223 301 L C 0.211 177.115 176.870 0.057 0.000 1.140 301 L CA 0.314 55.174 54.840 0.034 0.000 0.842 301 L CB 0.101 42.190 42.059 0.050 0.000 0.953 301 L HN -0.430 7.795 8.230 -0.009 0.000 0.452 302 G N -3.821 104.982 108.800 0.004 0.000 2.141 302 G HA2 -0.449 3.471 3.960 -0.067 0.000 0.242 302 G HA3 -0.449 3.516 3.960 0.009 0.000 0.242 302 G C -0.329 174.463 174.900 -0.180 0.000 0.982 302 G CA 0.693 45.769 45.100 -0.039 0.000 0.662 302 G HN -0.518 7.609 8.290 -0.019 0.152 0.527 303 S N -1.713 113.915 115.700 -0.120 0.000 2.501 303 S HA -0.061 4.071 4.470 -0.564 0.000 0.220 303 S C 0.780 175.252 174.600 -0.213 0.000 0.997 303 S CA -0.446 57.617 58.200 -0.227 0.000 0.919 303 S CB 0.838 64.055 63.200 0.028 0.000 0.778 303 S HN -0.550 7.740 8.310 -0.033 0.000 0.523 304 A N 2.195 124.929 122.820 -0.143 0.000 2.567 304 A HA -0.332 4.044 4.320 -0.098 -0.115 0.240 304 A C -0.038 177.459 177.584 -0.145 0.000 1.053 304 A CA 1.206 53.172 52.037 -0.118 0.000 0.755 304 A CB -0.277 18.669 19.000 -0.090 0.000 0.978 304 A HN -0.837 7.244 8.150 -0.115 0.000 0.507 305 N N -0.104 118.530 118.700 -0.110 0.000 2.741 305 N HA -0.344 4.412 4.740 -0.070 -0.058 0.250 305 N C -0.354 175.078 175.510 -0.130 0.000 1.115 305 N CA 1.979 54.971 53.050 -0.097 0.000 0.724 305 N CB -1.747 36.690 38.487 -0.083 0.000 1.090 305 N HN 0.320 8.647 8.380 -0.089 0.000 0.558 306 K N -4.912 115.380 120.400 -0.181 0.000 2.374 306 K HA 0.156 4.359 4.320 -0.194 0.000 0.196 306 K C 0.008 176.568 176.600 -0.068 0.000 1.023 306 K CA -1.538 54.622 56.287 -0.212 0.000 1.103 306 K CB -0.056 32.131 32.500 -0.523 0.000 0.848 306 K HN -0.542 7.567 8.250 -0.183 0.031 0.528 307 I N 0.000 120.550 120.570 -0.033 0.000 2.984 307 I HA 0.000 4.187 4.170 0.028 0.000 0.288 307 I CA 0.000 61.310 61.300 0.017 0.000 1.566 307 I CB 0.000 38.027 38.000 0.045 0.000 1.214 307 I HN 0.000 8.142 8.210 -0.044 0.041 0.494