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_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 IXXXXXXXXX DATA SEQUENCE XAVLVNPKEA EQFVKESQVD YLAPAIGTSH GAFKFKGEPK LDFERLQEVK DATA SEQUENCE RLTNIPLVLH GASAIPDNVR KSYLDAGGDL KGSKGVPFEF LQESVKGGIN DATA SEQUENCE KVNTDTDLRI AFIAEVRKVA NEDKSQFDLR KFFSPAQLAL KNVVKERMKL DATA SEQUENCE LGSANKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.506 4.480 0.044 0.000 0.227 1 M C 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.616 32.600 0.026 0.000 1.302 2 L N 3.016 124.246 121.223 0.011 0.000 2.418 2 L HA 0.441 4.974 4.340 -0.027 -0.209 0.274 2 L C -0.638 176.220 176.870 -0.019 0.000 1.135 2 L CA 0.403 55.235 54.840 -0.013 0.000 0.870 2 L CB -0.114 41.936 42.059 -0.014 0.000 1.154 2 L HN 0.063 8.303 8.230 0.017 0.000 0.462 3 V N 1.794 121.684 119.914 -0.040 0.000 3.130 3 V HA 0.600 4.716 4.120 -0.007 0.000 0.310 3 V C -1.798 174.278 176.094 -0.030 0.000 1.158 3 V CA -2.811 59.475 62.300 -0.023 0.000 1.029 3 V CB 4.326 36.142 31.823 -0.012 0.000 1.057 3 V HN 0.658 8.806 8.190 -0.069 0.000 0.436 4 K N -0.891 119.515 120.400 0.010 0.000 2.436 4 K HA -0.107 4.379 4.320 0.048 -0.137 0.275 4 K C 1.570 178.208 176.600 0.063 0.000 0.999 4 K CA 0.336 56.651 56.287 0.046 0.000 0.980 4 K CB -0.371 32.169 32.500 0.066 0.000 0.919 4 K HN 0.119 8.380 8.250 0.018 0.000 0.484 5 G N 2.755 111.639 108.800 0.139 0.000 2.440 5 G HA2 -0.400 3.517 3.960 -0.070 0.000 0.218 5 G HA3 -0.400 3.883 3.960 0.538 0.000 0.218 5 G C 0.903 176.020 174.900 0.362 0.000 1.154 5 G CA 2.186 47.441 45.100 0.259 0.000 0.767 5 G HN 0.375 8.773 8.290 0.179 0.000 0.552 6 N N 0.370 119.300 118.700 0.383 0.000 2.364 6 N HA -0.234 4.730 4.740 0.373 0.000 0.183 6 N C 1.891 177.494 175.510 0.154 0.000 1.022 6 N CA 2.006 55.246 53.050 0.316 0.000 0.883 6 N CB -0.141 38.505 38.487 0.264 0.000 0.965 6 N HN -0.338 8.247 8.380 0.360 0.011 0.438 7 E N -0.264 120.007 120.200 0.118 0.000 2.072 7 E HA -0.287 4.105 4.350 0.070 0.000 0.191 7 E C 2.394 179.041 176.600 0.078 0.000 0.985 7 E CA 2.891 59.337 56.400 0.077 0.000 0.801 7 E CB -0.075 29.658 29.700 0.055 0.000 0.750 7 E HN -0.511 7.896 8.360 0.119 0.025 0.452 8 I N -0.553 120.077 120.570 0.101 0.000 2.286 8 I HA -0.418 3.814 4.170 0.104 0.000 0.245 8 I C 1.618 177.777 176.117 0.070 0.000 1.104 8 I CA 3.658 65.030 61.300 0.120 0.000 1.397 8 I CB 0.215 38.329 38.000 0.191 0.000 1.072 8 I HN -0.789 7.487 8.210 0.110 0.000 0.417 9 L N -1.713 119.533 121.223 0.038 0.000 2.240 9 L HA -0.236 4.001 4.340 -0.173 0.000 0.211 9 L C 2.307 179.132 176.870 -0.075 0.000 1.106 9 L CA 2.330 57.093 54.840 -0.129 0.000 0.793 9 L CB -0.484 41.349 42.059 -0.376 0.000 0.927 9 L HN -0.447 7.838 8.230 0.091 0.000 0.446 10 L N -1.461 119.765 121.223 0.004 0.000 2.109 10 L HA -0.400 3.977 4.340 0.062 0.000 0.207 10 L C 1.761 178.652 176.870 0.036 0.000 1.086 10 L CA 3.269 58.137 54.840 0.047 0.000 0.760 10 L CB -0.589 41.508 42.059 0.063 0.000 0.910 10 L HN 0.234 8.484 8.230 0.032 0.000 0.437 11 K N -0.485 119.914 120.400 -0.001 0.000 2.057 11 K HA -0.410 3.914 4.320 0.007 0.000 0.207 11 K C 1.834 178.298 176.600 -0.225 0.000 1.049 11 K CA 3.390 59.664 56.287 -0.022 0.000 0.931 11 K CB -0.185 32.353 32.500 0.064 0.000 0.714 11 K HN -0.810 7.448 8.250 0.014 0.000 0.440 12 A N -2.240 120.311 122.820 -0.448 0.000 1.933 12 A HA -0.275 2.771 4.320 -2.124 0.000 0.218 12 A C 1.960 179.228 177.584 -0.526 0.000 1.175 12 A CA 2.964 54.370 52.037 -1.052 0.000 0.628 12 A CB -0.931 17.581 19.000 -0.813 0.000 0.814 12 A HN -0.495 7.477 8.150 -0.297 0.000 0.444 13 H N -0.134 118.744 119.070 -0.320 0.000 2.353 13 H HA -0.293 4.248 4.556 -0.175 -0.090 0.300 13 H C 1.981 177.230 175.328 -0.132 0.000 1.090 13 H CA 3.376 59.315 56.048 -0.181 0.000 1.327 13 H CB -0.050 29.646 29.762 -0.109 0.000 1.383 13 H HN -0.218 8.014 8.280 -0.078 0.000 0.508 14 K N -2.094 118.186 120.400 -0.199 0.000 2.097 14 K HA -0.175 3.970 4.320 -0.292 0.000 0.205 14 K C 1.782 178.290 176.600 -0.154 0.000 1.050 14 K CA 2.241 58.411 56.287 -0.195 0.000 0.938 14 K CB 0.307 32.777 32.500 -0.050 0.000 0.718 14 K HN -0.435 7.768 8.250 -0.079 0.000 0.442 15 E N -4.938 115.185 120.200 -0.128 0.000 2.472 15 E HA 0.044 4.393 4.350 -0.001 0.000 0.196 15 E C -0.286 176.312 176.600 -0.004 0.000 1.033 15 E CA -0.341 56.054 56.400 -0.009 0.000 0.886 15 E CB 0.782 30.588 29.700 0.177 0.000 0.944 15 E HN -0.638 7.610 8.360 -0.188 0.000 0.492 16 G N -0.186 108.539 108.800 -0.126 0.000 2.256 16 G HA2 -0.295 3.597 3.960 -0.113 0.000 0.272 16 G HA3 -0.295 3.640 3.960 -0.042 0.000 0.272 16 G C -0.932 173.984 174.900 0.027 0.000 1.076 16 G CA 0.602 45.658 45.100 -0.074 0.000 0.882 16 G HN -0.145 8.016 8.290 -0.216 0.000 0.497 17 Y N -4.758 115.524 120.300 -0.029 0.000 2.630 17 Y HA 0.435 4.969 4.550 -0.027 0.000 0.337 17 Y C -1.771 174.107 175.900 -0.036 0.000 1.051 17 Y CA -3.095 54.988 58.100 -0.028 0.000 1.121 17 Y CB 1.456 39.901 38.460 -0.025 0.000 1.299 17 Y HN -0.762 7.265 8.280 -0.421 0.000 0.498 18 G N -1.939 106.967 108.800 0.178 0.000 2.400 18 G HA2 0.447 4.508 3.960 -0.045 0.000 0.333 18 G HA3 0.447 4.420 3.960 0.021 0.000 0.333 18 G C -2.748 172.222 174.900 0.116 0.000 1.143 18 G CA -1.627 43.503 45.100 0.051 0.000 0.914 18 G HN 0.125 8.546 8.290 0.219 0.000 0.480 19 V N 1.672 121.577 119.914 -0.016 0.000 2.384 19 V HA 0.203 4.377 4.120 0.090 0.000 0.287 19 V C -0.312 175.682 176.094 -0.165 0.000 1.020 19 V CA -1.570 60.729 62.300 -0.002 0.000 0.850 19 V CB 2.527 34.358 31.823 0.013 0.000 0.987 19 V HN 0.269 8.274 8.190 -0.118 0.115 0.436 20 G N 5.760 114.466 108.800 -0.156 0.000 2.432 20 G HA2 -0.017 3.757 3.960 -0.557 0.000 0.239 20 G HA3 -0.017 3.521 3.960 -0.703 0.000 0.239 20 G C -2.060 172.377 174.900 -0.772 0.000 1.291 20 G CA -0.139 44.612 45.100 -0.581 0.000 0.863 20 G HN 0.471 8.752 8.290 -0.015 0.000 0.560 21 A N 4.220 126.506 122.820 -0.889 0.000 2.323 21 A HA 0.768 5.138 4.320 -0.241 -0.195 0.305 21 A C -2.168 175.110 177.584 -0.510 0.000 1.275 21 A CA -1.772 49.970 52.037 -0.491 0.000 0.804 21 A CB 2.159 20.940 19.000 -0.365 0.000 1.152 21 A HN 0.036 7.669 8.150 -0.863 0.000 0.487 22 F N 3.052 123.042 119.950 0.067 0.000 2.436 22 F HA 0.709 5.478 4.527 0.048 -0.214 0.340 22 F C -0.091 175.790 175.800 0.135 0.000 1.113 22 F CA -2.050 55.989 58.000 0.064 0.000 1.022 22 F CB 2.433 41.447 39.000 0.025 0.000 1.128 22 F HN 0.145 8.513 8.300 0.112 0.000 0.466 23 N N 2.904 121.770 118.700 0.277 0.000 2.525 23 N HA 0.481 5.622 4.740 0.292 -0.225 0.271 23 N C -0.486 175.204 175.510 0.300 0.000 1.194 23 N CA 0.776 53.975 53.050 0.249 0.000 0.964 23 N CB 1.667 40.227 38.487 0.121 0.000 1.126 23 N HN -0.222 8.299 8.380 0.234 0.000 0.452 24 F N -2.084 117.906 119.950 0.067 0.000 2.588 24 F HA 0.485 4.995 4.527 -0.029 0.000 0.314 24 F C -1.717 174.088 175.800 0.009 0.000 1.069 24 F CA -1.998 56.013 58.000 0.017 0.000 0.931 24 F CB 3.234 42.258 39.000 0.041 0.000 1.260 24 F HN -0.223 8.262 8.300 0.308 0.000 0.465 25 V N -6.157 113.682 119.914 -0.125 0.000 3.502 25 V HA 0.222 4.145 4.120 -0.328 0.000 0.288 25 V C -1.939 174.181 176.094 0.044 0.000 1.461 25 V CA -0.509 61.670 62.300 -0.202 0.000 1.029 25 V CB 1.420 33.059 31.823 -0.308 0.000 0.843 25 V HN -0.283 7.893 8.190 -0.023 0.000 0.438 26 N N -3.447 115.358 118.700 0.174 0.000 3.308 26 N HA 0.029 4.950 4.740 0.302 0.000 0.276 26 N C -1.104 174.576 175.510 0.283 0.000 1.533 26 N CA -1.024 52.177 53.050 0.251 0.000 0.878 26 N CB 0.706 39.295 38.487 0.170 0.000 1.566 26 N HN -0.916 7.590 8.380 0.210 0.000 0.546 27 F N 0.335 120.366 119.950 0.136 0.000 2.134 27 F HA -0.190 4.402 4.527 0.108 0.000 0.299 27 F C 1.036 176.891 175.800 0.091 0.000 1.097 27 F CA 3.899 61.962 58.000 0.104 0.000 1.264 27 F CB 0.325 39.372 39.000 0.078 0.000 1.001 27 F HN 0.342 8.869 8.300 0.378 0.000 0.479 28 E N -1.146 118.941 120.200 -0.188 0.000 2.085 28 E HA -0.367 3.713 4.350 -0.451 0.000 0.194 28 E C 2.629 179.117 176.600 -0.186 0.000 0.994 28 E CA 4.002 60.264 56.400 -0.230 0.000 0.801 28 E CB -0.663 29.106 29.700 0.114 0.000 0.743 28 E HN 0.226 8.679 8.360 0.051 -0.062 0.453 29 M N -1.152 118.354 119.600 -0.155 0.000 2.132 29 M HA -0.345 4.083 4.480 -0.086 0.000 0.263 29 M C 2.251 178.511 176.300 -0.067 0.000 1.065 29 M CA 4.057 59.297 55.300 -0.099 0.000 1.122 29 M CB 0.094 32.652 32.600 -0.070 0.000 1.365 29 M HN -0.642 7.804 8.290 -0.156 -0.250 0.411 30 L N -0.841 120.332 121.223 -0.084 0.000 2.046 30 L HA -0.405 3.857 4.340 -0.130 0.000 0.208 30 L C 1.621 178.425 176.870 -0.110 0.000 1.077 30 L CA 3.371 58.124 54.840 -0.145 0.000 0.747 30 L CB -0.374 41.532 42.059 -0.256 0.000 0.896 30 L HN -0.477 7.722 8.230 -0.053 0.000 0.432 31 N N -1.005 117.492 118.700 -0.340 0.000 2.084 31 N HA -0.390 4.264 4.740 -0.143 0.000 0.190 31 N C 1.644 177.096 175.510 -0.096 0.000 1.030 31 N CA 3.142 56.023 53.050 -0.280 0.000 0.849 31 N CB -0.157 37.937 38.487 -0.656 0.000 1.012 31 N HN -0.050 7.996 8.380 -0.557 0.000 0.423 32 A N -0.542 122.208 122.820 -0.116 0.000 1.902 32 A HA -0.258 4.031 4.320 -0.051 0.000 0.217 32 A C 2.207 179.727 177.584 -0.106 0.000 1.181 32 A CA 2.933 54.930 52.037 -0.068 0.000 0.623 32 A CB -0.432 18.556 19.000 -0.020 0.000 0.818 32 A HN -0.659 7.398 8.150 -0.154 0.000 0.443 33 I N -1.758 118.740 120.570 -0.120 0.000 2.179 33 I HA -0.562 3.408 4.170 -0.332 0.000 0.242 33 I C 1.795 177.771 176.117 -0.234 0.000 1.088 33 I CA 4.264 65.430 61.300 -0.224 0.000 1.357 33 I CB -0.141 37.751 38.000 -0.180 0.000 1.051 33 I HN -0.618 7.539 8.210 -0.089 0.000 0.409 34 F N -0.256 119.548 119.950 -0.243 0.000 2.134 34 F HA -0.481 3.861 4.527 -0.310 0.000 0.299 34 F C 2.222 177.743 175.800 -0.466 0.000 1.097 34 F CA 4.802 62.609 58.000 -0.322 0.000 1.264 34 F CB -0.209 38.652 39.000 -0.233 0.000 1.001 34 F HN -0.534 7.879 8.300 0.188 0.000 0.479 35 E N -1.432 118.678 120.200 -0.151 0.000 2.110 35 E HA -0.503 3.675 4.350 -0.286 0.000 0.193 35 E C 1.910 178.402 176.600 -0.181 0.000 0.988 35 E CA 3.032 59.324 56.400 -0.180 0.000 0.804 35 E CB -0.293 29.384 29.700 -0.039 0.000 0.745 35 E HN -0.084 8.244 8.360 -0.053 0.000 0.458 36 A N -0.626 122.083 122.820 -0.185 0.000 1.877 36 A HA -0.222 4.012 4.320 -0.144 0.000 0.216 36 A C 1.882 179.349 177.584 -0.196 0.000 1.186 36 A CA 2.981 54.907 52.037 -0.186 0.000 0.620 36 A CB -0.686 18.169 19.000 -0.242 0.000 0.822 36 A HN -0.367 7.671 8.150 -0.187 0.000 0.443 37 G N -2.104 106.542 108.800 -0.256 0.000 2.422 37 G HA2 -0.438 3.410 3.960 -0.186 0.000 0.218 37 G HA3 -0.438 3.339 3.960 -0.304 0.000 0.218 37 G C 1.328 176.110 174.900 -0.198 0.000 1.146 37 G CA 1.870 46.825 45.100 -0.241 0.000 0.769 37 G HN -0.174 7.937 8.290 -0.299 0.000 0.547 38 N N 1.567 120.112 118.700 -0.257 0.000 2.188 38 N HA -0.202 4.523 4.740 -0.025 0.000 0.184 38 N C 2.627 178.123 175.510 -0.023 0.000 1.018 38 N CA 2.436 55.409 53.050 -0.129 0.000 0.858 38 N CB 0.278 38.596 38.487 -0.282 0.000 0.989 38 N HN -0.198 7.973 8.380 -0.347 0.000 0.426 39 E N -2.038 118.123 120.200 -0.066 0.000 2.216 39 E HA -0.119 4.226 4.350 -0.010 0.000 0.192 39 E C 0.940 177.516 176.600 -0.039 0.000 0.988 39 E CA 2.200 58.578 56.400 -0.035 0.000 0.834 39 E CB 0.380 30.055 29.700 -0.042 0.000 0.772 39 E HN -0.457 7.754 8.360 -0.106 0.085 0.479 40 E N -4.277 115.887 120.200 -0.059 0.000 2.476 40 E HA 0.150 4.470 4.350 -0.050 0.000 0.196 40 E C -0.849 175.721 176.600 -0.050 0.000 1.029 40 E CA -1.595 54.770 56.400 -0.058 0.000 0.896 40 E CB 0.393 30.050 29.700 -0.073 0.000 1.012 40 E HN -0.389 7.924 8.360 -0.078 0.000 0.475 41 N N -2.215 116.468 118.700 -0.028 0.000 2.725 41 N HA -0.450 4.314 4.740 0.039 0.000 0.251 41 N C -2.439 173.048 175.510 -0.039 0.000 1.031 41 N CA 1.591 54.638 53.050 -0.004 0.000 0.720 41 N CB -1.849 36.634 38.487 -0.006 0.000 0.930 41 N HN -0.159 8.159 8.380 -0.019 0.051 0.543 42 S N -1.200 114.464 115.700 -0.061 0.000 2.482 42 S HA 0.729 5.313 4.470 -0.074 -0.158 0.303 42 S C -2.348 172.214 174.600 -0.062 0.000 1.091 42 S CA -3.459 54.702 58.200 -0.066 0.000 1.057 42 S CB 2.517 65.682 63.200 -0.059 0.000 1.031 42 S HN -0.548 7.719 8.310 -0.072 0.000 0.485 43 P HA 0.043 4.533 4.420 -0.053 -0.101 0.272 43 P C -1.953 175.347 177.300 -0.000 0.000 1.240 43 P CA -0.185 62.909 63.100 -0.010 0.000 0.791 43 P CB 1.172 32.913 31.700 0.069 0.000 0.978 44 L N -2.833 118.364 121.223 -0.043 0.000 2.408 44 L HA 0.251 4.636 4.340 0.075 0.000 0.268 44 L C -1.263 175.626 176.870 0.031 0.000 0.986 44 L CA -0.949 53.875 54.840 -0.027 0.000 0.820 44 L CB 4.249 46.142 42.059 -0.278 0.000 1.303 44 L HN -0.208 7.976 8.230 -0.077 0.000 0.411 45 F N 2.920 122.824 119.950 -0.077 0.000 2.410 45 F HA 0.363 5.004 4.527 -0.050 -0.144 0.349 45 F C -1.126 174.669 175.800 -0.007 0.000 1.117 45 F CA -0.401 57.556 58.000 -0.072 0.000 1.104 45 F CB 2.411 41.317 39.000 -0.156 0.000 1.122 45 F HN -0.258 8.217 8.300 0.292 0.000 0.483 46 I N 5.249 125.877 120.570 0.097 0.000 2.354 46 I HA 0.559 4.994 4.170 0.212 -0.137 0.292 46 I C -2.489 173.816 176.117 0.314 0.000 0.989 46 I CA -2.606 58.791 61.300 0.161 0.000 1.188 46 I CB 3.314 41.314 38.000 -0.000 0.000 1.342 46 I HN 0.616 8.813 8.210 -0.021 0.000 0.457 47 Q N 8.030 128.082 119.800 0.421 0.000 2.345 47 Q HA 0.863 5.698 4.340 0.493 -0.200 0.268 47 Q C -1.743 174.501 176.000 0.406 0.000 1.054 47 Q CA -2.363 53.706 55.803 0.442 0.000 0.835 47 Q CB 4.351 33.305 28.738 0.360 0.000 1.339 47 Q HN 0.301 8.828 8.270 0.427 0.000 0.447 48 A N 2.244 125.273 122.820 0.348 0.000 2.353 48 A HA 0.688 4.994 4.320 -0.023 0.000 0.299 48 A C -1.277 176.384 177.584 0.127 0.000 1.089 48 A CA -1.315 50.803 52.037 0.134 0.000 0.736 48 A CB 2.800 21.882 19.000 0.136 0.000 1.195 48 A HN 0.367 8.774 8.150 0.429 0.000 0.447 49 S N 4.374 120.103 115.700 0.049 0.000 2.634 49 S HA 0.303 5.027 4.470 0.083 -0.205 0.261 49 S C 1.155 175.758 174.600 0.006 0.000 1.271 49 S CA -1.337 56.891 58.200 0.048 0.000 0.985 49 S CB 1.643 64.861 63.200 0.029 0.000 0.968 49 S HN 0.256 8.570 8.310 0.007 0.000 0.568 50 E N 1.728 121.929 120.200 0.001 0.000 2.106 50 E HA -0.362 3.964 4.350 -0.039 0.000 0.192 50 E C 2.382 178.975 176.600 -0.012 0.000 0.984 50 E CA 3.344 59.731 56.400 -0.021 0.000 0.806 50 E CB -0.258 29.431 29.700 -0.018 0.000 0.750 50 E HN 0.526 8.898 8.360 0.020 0.000 0.458 51 G N -1.326 107.465 108.800 -0.014 0.000 2.402 51 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 51 G HA3 -0.229 3.714 3.960 -0.028 0.000 0.216 51 G C 0.841 175.739 174.900 -0.003 0.000 1.162 51 G CA 1.218 46.310 45.100 -0.013 0.000 0.777 51 G HN 0.036 8.316 8.290 -0.017 0.000 0.539 52 A N 2.001 124.798 122.820 -0.037 0.000 1.902 52 A HA -0.213 4.075 4.320 -0.053 0.000 0.217 52 A C 1.979 179.563 177.584 0.001 0.000 1.181 52 A CA 2.703 54.704 52.037 -0.060 0.000 0.623 52 A CB -0.610 18.289 19.000 -0.169 0.000 0.818 52 A HN -0.463 7.659 8.150 -0.046 0.000 0.443 53 I N -1.674 118.896 120.570 0.000 0.000 2.315 53 I HA -0.558 3.637 4.170 0.041 0.000 0.248 53 I C 1.653 177.792 176.117 0.037 0.000 1.117 53 I CA 3.948 65.266 61.300 0.030 0.000 1.404 53 I CB -0.269 37.744 38.000 0.021 0.000 1.071 53 I HN -0.254 7.951 8.210 -0.009 0.000 0.419 54 K N -0.079 120.344 120.400 0.038 0.000 2.097 54 K HA -0.348 3.985 4.320 0.021 0.000 0.205 54 K C 1.697 178.336 176.600 0.065 0.000 1.050 54 K CA 2.973 59.284 56.287 0.040 0.000 0.938 54 K CB -0.251 32.270 32.500 0.035 0.000 0.718 54 K HN -0.550 7.719 8.250 0.031 0.000 0.442 55 Y N -1.800 118.478 120.300 -0.036 0.000 2.163 55 Y HA -0.279 4.256 4.550 -0.024 0.000 0.288 55 Y C 1.170 177.057 175.900 -0.023 0.000 1.136 55 Y CA 2.617 60.697 58.100 -0.033 0.000 1.147 55 Y CB 0.589 39.017 38.460 -0.052 0.000 0.987 55 Y HN -0.581 7.821 8.280 0.204 0.000 0.509 56 M N -4.054 115.555 119.600 0.015 0.000 2.394 56 M HA -0.023 4.374 4.480 -0.137 0.000 0.266 56 M C 0.232 176.514 176.300 -0.031 0.000 1.098 56 M CA 1.672 56.949 55.300 -0.039 0.000 1.149 56 M CB 1.427 34.059 32.600 0.053 0.000 1.369 56 M HN -0.491 7.865 8.290 0.111 0.000 0.450 57 G N -1.597 107.202 108.800 -0.001 0.000 3.019 57 G HA2 -0.211 3.765 3.960 0.013 0.000 0.686 57 G HA3 -0.211 3.837 3.960 0.007 -0.084 0.686 57 G C -1.037 173.899 174.900 0.060 0.000 1.056 57 G CA -0.624 44.486 45.100 0.017 0.000 0.774 57 G HN -0.356 7.939 8.290 0.007 0.000 0.583 58 I N 2.175 122.789 120.570 0.073 0.000 2.361 58 I HA -0.392 3.889 4.170 0.185 0.000 0.251 58 I C 0.243 176.450 176.117 0.150 0.000 1.133 58 I CA 2.476 63.860 61.300 0.139 0.000 1.413 58 I CB -0.073 37.995 38.000 0.113 0.000 1.073 58 I HN 0.390 8.631 8.210 0.051 0.000 0.424 59 D N -2.036 118.419 120.400 0.092 0.000 2.149 59 D HA -0.306 4.383 4.640 0.082 0.000 0.198 59 D C 1.936 178.282 176.300 0.077 0.000 0.990 59 D CA 3.084 57.130 54.000 0.075 0.000 0.839 59 D CB -1.194 39.633 40.800 0.045 0.000 0.948 59 D HN 0.359 8.760 8.370 0.070 0.011 0.460 60 M N 0.199 119.847 119.600 0.079 0.000 2.287 60 M HA -0.100 4.423 4.480 0.071 0.000 0.266 60 M C 1.352 177.740 176.300 0.148 0.000 1.079 60 M CA 1.764 57.117 55.300 0.088 0.000 1.146 60 M CB -0.199 32.441 32.600 0.067 0.000 1.374 60 M HN -0.677 7.559 8.290 0.073 0.098 0.435 61 A N 0.659 123.586 122.820 0.179 0.000 1.865 61 A HA -0.217 4.348 4.320 0.409 0.000 0.217 61 A C 2.077 179.801 177.584 0.235 0.000 1.191 61 A CA 3.055 55.266 52.037 0.290 0.000 0.623 61 A CB -0.762 18.387 19.000 0.249 0.000 0.826 61 A HN -0.334 7.909 8.150 0.154 0.000 0.444 62 V N -2.582 117.403 119.914 0.119 0.000 2.307 62 V HA -0.536 3.527 4.120 -0.094 0.000 0.245 62 V C 1.904 178.006 176.094 0.014 0.000 1.045 62 V CA 3.961 66.262 62.300 0.001 0.000 1.024 62 V CB -0.271 31.563 31.823 0.019 0.000 0.651 62 V HN -0.388 7.892 8.190 0.149 0.000 0.449 63 G N -1.130 107.696 108.800 0.043 0.000 2.440 63 G HA2 -0.399 3.566 3.960 0.008 0.000 0.218 63 G HA3 -0.399 3.579 3.960 0.029 0.000 0.218 63 G C 1.142 176.048 174.900 0.009 0.000 1.154 63 G CA 2.250 47.363 45.100 0.022 0.000 0.767 63 G HN -0.420 7.908 8.290 0.063 0.000 0.552 64 M N 1.268 120.894 119.600 0.044 0.000 2.175 64 M HA -0.387 4.101 4.480 0.014 0.000 0.264 64 M C 2.105 178.360 176.300 -0.076 0.000 1.063 64 M CA 3.988 59.304 55.300 0.026 0.000 1.119 64 M CB 0.144 32.820 32.600 0.126 0.000 1.377 64 M HN -0.283 8.058 8.290 0.086 0.000 0.415 65 V N 0.315 120.181 119.914 -0.080 0.000 2.358 65 V HA -0.602 3.385 4.120 -0.220 0.000 0.246 65 V C 1.616 177.639 176.094 -0.119 0.000 1.047 65 V CA 4.566 66.783 62.300 -0.138 0.000 1.035 65 V CB -0.516 31.245 31.823 -0.102 0.000 0.658 65 V HN -0.597 7.580 8.190 -0.021 0.000 0.452 66 K N -0.259 120.096 120.400 -0.075 0.000 2.103 66 K HA -0.353 3.938 4.320 -0.047 0.000 0.207 66 K C 2.711 179.260 176.600 -0.086 0.000 1.048 66 K CA 3.526 59.777 56.287 -0.061 0.000 0.930 66 K CB -0.258 32.220 32.500 -0.037 0.000 0.716 66 K HN -0.387 7.828 8.250 -0.060 0.000 0.444 67 I N -0.150 120.359 120.570 -0.101 0.000 2.252 67 I HA -0.421 3.693 4.170 -0.092 0.000 0.245 67 I C 2.073 178.078 176.117 -0.187 0.000 1.102 67 I CA 3.650 64.882 61.300 -0.113 0.000 1.385 67 I CB 0.046 37.994 38.000 -0.087 0.000 1.064 67 I HN -0.496 7.660 8.210 -0.090 0.000 0.414 68 M N -0.667 118.741 119.600 -0.319 0.000 2.175 68 M HA -0.350 3.868 4.480 -0.436 0.000 0.264 68 M C 2.281 178.311 176.300 -0.449 0.000 1.063 68 M CA 1.745 56.683 55.300 -0.604 0.000 1.119 68 M CB -1.405 30.370 32.600 -1.373 0.000 1.377 68 M HN -0.510 7.590 8.290 -0.316 0.000 0.415 69 C N -0.911 118.252 119.300 -0.228 0.000 2.422 69 C HA -0.369 4.228 4.460 0.229 0.000 0.279 69 C C 1.687 176.686 174.990 0.014 0.000 1.305 69 C CA 4.559 63.606 59.018 0.049 0.000 1.757 69 C CB -1.024 26.757 27.740 0.069 0.000 1.962 69 C HN 0.061 8.157 8.230 -0.224 0.000 0.499 70 E N -1.491 118.677 120.200 -0.054 0.000 2.208 70 E HA -0.274 4.063 4.350 -0.022 0.000 0.193 70 E C 1.703 178.247 176.600 -0.094 0.000 0.988 70 E CA 2.289 58.658 56.400 -0.052 0.000 0.828 70 E CB -0.342 29.324 29.700 -0.057 0.000 0.763 70 E HN -0.738 7.572 8.360 -0.083 0.000 0.478 71 R N -1.557 118.835 120.500 -0.179 0.000 2.115 71 R HA -0.167 3.987 4.340 -0.309 0.000 0.230 71 R C 0.430 176.439 176.300 -0.485 0.000 1.111 71 R CA 2.293 58.169 56.100 -0.372 0.000 0.976 71 R CB 0.936 30.935 30.300 -0.502 0.000 0.870 71 R HN -0.769 7.293 8.270 -0.182 0.099 0.445 72 Y N -3.881 116.428 120.300 0.014 0.000 2.584 72 Y HA 0.457 5.077 4.550 0.117 0.000 0.358 72 Y C -1.815 174.060 175.900 -0.042 0.000 1.028 72 Y CA -3.264 54.852 58.100 0.027 0.000 1.148 72 Y CB -0.036 38.441 38.460 0.029 0.000 1.126 72 Y HN -0.559 7.634 8.280 0.038 0.110 0.658 73 P HA 0.033 4.623 4.420 0.078 -0.124 0.223 73 P C -0.407 176.954 177.300 0.103 0.000 1.151 73 P CA 0.994 64.156 63.100 0.103 0.000 0.787 73 P CB 0.361 32.120 31.700 0.097 0.000 0.788 74 H N -6.051 113.085 119.070 0.110 0.000 2.547 74 H HA -0.000 4.593 4.556 0.062 0.000 0.272 74 H C -0.267 175.104 175.328 0.073 0.000 0.989 74 H CA -0.223 55.873 56.048 0.080 0.000 1.214 74 H CB -0.287 29.519 29.762 0.074 0.000 1.389 74 H HN -0.096 8.331 8.280 0.300 0.034 0.577 75 I N 3.601 123.975 120.570 -0.326 0.000 2.312 75 I HA 0.219 4.289 4.170 -0.167 0.000 0.291 75 I C -2.526 173.540 176.117 -0.084 0.000 1.031 75 I CA -2.509 58.661 61.300 -0.217 0.000 1.293 75 I CB -0.190 37.641 38.000 -0.283 0.000 1.403 75 I HN -0.798 7.143 8.210 -0.378 0.043 0.484 76 P HA 0.010 4.553 4.420 -0.020 -0.135 0.271 76 P C -1.476 175.776 177.300 -0.079 0.000 1.226 76 P CA -0.326 62.754 63.100 -0.033 0.000 0.765 76 P CB 0.356 32.057 31.700 0.002 0.000 0.835 77 V N 4.546 124.406 119.914 -0.090 0.000 2.638 77 V HA 0.708 4.928 4.120 -0.195 -0.216 0.306 77 V C -1.963 174.007 176.094 -0.207 0.000 1.052 77 V CA -1.971 60.236 62.300 -0.155 0.000 0.885 77 V CB 4.360 36.129 31.823 -0.090 0.000 0.999 77 V HN 0.473 8.625 8.190 -0.063 0.000 0.424 78 A N 6.343 128.923 122.820 -0.401 0.000 2.330 78 A HA 0.702 4.959 4.320 -0.329 -0.135 0.327 78 A C -2.715 174.631 177.584 -0.397 0.000 1.155 78 A CA -2.293 49.425 52.037 -0.531 0.000 0.803 78 A CB 3.297 21.607 19.000 -1.151 0.000 1.208 78 A HN 0.511 8.379 8.150 -0.469 0.000 0.477 79 L N 4.415 125.511 121.223 -0.212 0.000 2.265 79 L HA 0.649 5.094 4.340 -0.089 -0.158 0.289 79 L C -1.829 175.087 176.870 0.075 0.000 1.033 79 L CA -1.307 53.447 54.840 -0.144 0.000 0.814 79 L CB 2.181 44.043 42.059 -0.328 0.000 1.203 79 L HN -0.191 7.932 8.230 -0.178 0.000 0.423 80 H N 8.610 127.792 119.070 0.186 0.000 2.529 80 H HA 0.585 5.632 4.556 0.427 -0.235 0.348 80 H C -1.975 173.684 175.328 0.553 0.000 1.079 80 H CA -2.188 54.107 56.048 0.411 0.000 1.198 80 H CB 3.924 33.949 29.762 0.438 0.000 1.521 80 H HN 0.700 9.186 8.280 0.344 0.000 0.514 81 L N 8.239 129.454 121.223 -0.014 0.000 2.325 81 L HA 0.359 4.883 4.340 0.041 -0.158 0.284 81 L C -1.903 174.773 176.870 -0.323 0.000 1.089 81 L CA -0.888 53.843 54.840 -0.182 0.000 0.836 81 L CB 0.942 42.737 42.059 -0.439 0.000 1.184 81 L HN 0.032 8.208 8.230 -0.090 0.000 0.444 82 D N 8.776 129.177 120.400 0.002 0.000 2.312 82 D HA 0.153 4.883 4.640 0.149 0.000 0.252 82 D C -0.179 176.194 176.300 0.122 0.000 1.150 82 D CA -0.779 53.294 54.000 0.122 0.000 0.870 82 D CB 0.622 41.566 40.800 0.239 0.000 1.153 82 D HN -0.171 8.259 8.370 0.101 0.000 0.457 83 H N 2.448 121.601 119.070 0.139 0.000 2.677 83 H HA -0.426 4.200 4.556 0.117 0.000 0.321 83 H C -0.682 174.661 175.328 0.024 0.000 1.171 83 H CA 1.225 57.331 56.048 0.096 0.000 1.139 83 H CB -2.745 27.071 29.762 0.090 0.000 1.515 83 H HN 0.039 8.247 8.280 -0.121 0.000 0.423 84 G N -3.054 105.770 108.800 0.040 0.000 2.380 84 G HA2 -0.016 4.109 3.960 -0.025 0.000 0.242 84 G HA3 -0.016 3.985 3.960 -0.062 -0.078 0.242 84 G C -0.802 174.121 174.900 0.038 0.000 1.298 84 G CA 0.114 45.208 45.100 -0.011 0.000 0.878 84 G HN -0.452 7.834 8.290 -0.007 0.000 0.542 85 T N -1.279 113.298 114.554 0.038 0.000 3.010 85 T HA 0.300 4.713 4.350 0.106 0.000 0.257 85 T C 0.350 175.087 174.700 0.062 0.000 1.020 85 T CA -0.943 61.205 62.100 0.079 0.000 0.938 85 T CB 1.582 70.508 68.868 0.096 0.000 1.049 85 T HN 0.172 8.699 8.240 0.015 -0.277 0.522 86 T N -2.862 111.709 114.554 0.029 0.000 2.843 86 T HA 0.256 4.644 4.350 0.063 0.000 0.302 86 T C -0.550 174.178 174.700 0.046 0.000 1.232 86 T CA -2.066 60.064 62.100 0.050 0.000 1.009 86 T CB 2.715 71.615 68.868 0.054 0.000 1.254 86 T HN -0.903 7.339 8.240 0.004 0.000 0.504 87 F N 3.049 122.968 119.950 -0.052 0.000 2.134 87 F HA -0.358 4.127 4.527 -0.070 0.000 0.299 87 F C 0.813 176.580 175.800 -0.055 0.000 1.097 87 F CA 4.037 62.001 58.000 -0.060 0.000 1.264 87 F CB 0.181 39.147 39.000 -0.058 0.000 1.001 87 F HN 0.566 9.014 8.300 0.247 0.000 0.479 88 E N -0.598 119.579 120.200 -0.038 0.000 2.110 88 E HA -0.351 3.874 4.350 -0.209 0.000 0.193 88 E C 2.732 179.218 176.600 -0.191 0.000 0.988 88 E CA 3.300 59.623 56.400 -0.127 0.000 0.804 88 E CB -0.805 28.899 29.700 0.006 0.000 0.745 88 E HN 0.352 8.785 8.360 0.121 0.000 0.458 89 S N 0.110 115.723 115.700 -0.144 0.000 2.356 89 S HA -0.292 4.090 4.470 -0.147 0.000 0.223 89 S C 1.984 176.439 174.600 -0.242 0.000 1.032 89 S CA 3.086 61.190 58.200 -0.160 0.000 1.005 89 S CB -0.072 63.061 63.200 -0.112 0.000 0.867 89 S HN -0.391 7.861 8.310 -0.096 0.000 0.449 90 C N 1.184 120.323 119.300 -0.269 0.000 2.429 90 C HA -0.391 3.898 4.460 -0.286 0.000 0.277 90 C C 1.356 176.139 174.990 -0.346 0.000 1.262 90 C CA 4.606 63.443 59.018 -0.302 0.000 1.733 90 C CB -0.486 27.093 27.740 -0.269 0.000 2.010 90 C HN -0.491 7.592 8.230 -0.245 0.000 0.483 91 E N 1.270 121.187 120.200 -0.473 0.000 2.085 91 E HA -0.377 3.741 4.350 -0.387 0.000 0.194 91 E C 2.193 178.652 176.600 -0.236 0.000 0.994 91 E CA 3.108 59.259 56.400 -0.415 0.000 0.801 91 E CB -0.209 29.165 29.700 -0.543 0.000 0.743 91 E HN -0.172 7.837 8.360 -0.584 0.000 0.453 92 K N -1.541 118.730 120.400 -0.215 0.000 2.097 92 K HA -0.306 3.949 4.320 -0.108 0.000 0.206 92 K C 2.420 178.928 176.600 -0.153 0.000 1.049 92 K CA 2.921 59.119 56.287 -0.147 0.000 0.933 92 K CB -0.156 32.265 32.500 -0.132 0.000 0.717 92 K HN -0.319 7.789 8.250 -0.237 0.000 0.442 93 A N -0.498 122.159 122.820 -0.271 0.000 1.902 93 A HA -0.202 3.850 4.320 -0.447 0.000 0.217 93 A C 2.033 179.567 177.584 -0.083 0.000 1.181 93 A CA 3.006 54.797 52.037 -0.410 0.000 0.623 93 A CB -0.812 17.706 19.000 -0.805 0.000 0.818 93 A HN -0.525 7.442 8.150 -0.305 0.000 0.443 94 V N -0.853 119.009 119.914 -0.087 0.000 2.295 94 V HA -0.533 3.623 4.120 0.060 0.000 0.246 94 V C 2.721 178.835 176.094 0.032 0.000 1.049 94 V CA 3.837 66.137 62.300 0.001 0.000 1.024 94 V CB -0.201 31.595 31.823 -0.046 0.000 0.648 94 V HN -0.234 7.865 8.190 -0.152 0.000 0.447 95 K N 0.170 120.567 120.400 -0.005 0.000 2.097 95 K HA -0.291 4.039 4.320 0.016 0.000 0.206 95 K C 1.065 177.697 176.600 0.053 0.000 1.049 95 K CA 2.676 58.971 56.287 0.013 0.000 0.933 95 K CB -0.031 32.462 32.500 -0.011 0.000 0.717 95 K HN -0.315 7.909 8.250 -0.044 0.000 0.442 96 A N -4.399 118.476 122.820 0.091 0.000 2.119 96 A HA 0.031 4.412 4.320 0.100 0.000 0.216 96 A C 0.071 177.758 177.584 0.173 0.000 1.152 96 A CA 0.739 52.863 52.037 0.144 0.000 0.708 96 A CB 0.665 19.791 19.000 0.210 0.000 0.805 96 A HN -0.499 7.584 8.150 0.081 0.116 0.460 97 G N -3.339 105.577 108.800 0.193 0.000 2.164 97 G HA2 -0.169 3.853 3.960 0.103 0.000 0.154 97 G HA3 -0.169 3.845 3.960 0.089 0.000 0.154 97 G C -0.300 174.689 174.900 0.148 0.000 1.014 97 G CA -0.542 44.639 45.100 0.135 0.000 0.683 97 G HN -0.692 7.687 8.290 0.200 0.031 0.500 98 F N 0.671 120.635 119.950 0.022 0.000 2.545 98 F HA -0.228 4.325 4.527 0.043 0.000 0.348 98 F C 0.536 176.352 175.800 0.026 0.000 1.163 98 F CA 1.489 59.507 58.000 0.029 0.000 1.331 98 F CB 0.663 39.672 39.000 0.015 0.000 1.138 98 F HN -0.709 7.988 8.300 0.661 0.000 0.602 99 T N -3.582 111.068 114.554 0.161 0.000 3.044 99 T HA 0.127 4.544 4.350 0.112 0.000 0.260 99 T C -0.290 174.512 174.700 0.169 0.000 1.019 99 T CA -0.418 61.748 62.100 0.110 0.000 0.921 99 T CB 0.917 69.798 68.868 0.021 0.000 1.053 99 T HN 0.309 8.621 8.240 0.121 0.000 0.533 100 S N 0.728 116.584 115.700 0.261 0.000 2.543 100 S HA 0.718 5.577 4.470 0.324 -0.196 0.273 100 S C -2.328 172.424 174.600 0.253 0.000 1.152 100 S CA -0.504 57.924 58.200 0.380 0.000 0.910 100 S CB 1.962 65.573 63.200 0.684 0.000 1.105 100 S HN -0.700 7.789 8.310 0.299 0.000 0.465 101 V N -0.141 119.841 119.914 0.113 0.000 2.789 101 V HA 0.482 4.429 4.120 -0.288 0.000 0.311 101 V C -2.643 173.401 176.094 -0.083 0.000 1.073 101 V CA -2.395 59.833 62.300 -0.122 0.000 0.921 101 V CB 3.761 35.512 31.823 -0.121 0.000 1.009 101 V HN 0.575 8.849 8.190 0.141 0.000 0.426 102 M N 5.104 124.596 119.600 -0.179 0.000 2.180 102 M HA 0.605 5.322 4.480 0.073 -0.194 0.350 102 M C -2.099 174.182 176.300 -0.031 0.000 1.125 102 M CA -1.184 54.118 55.300 0.004 0.000 1.031 102 M CB 3.054 35.712 32.600 0.097 0.000 1.623 102 M HN 0.284 8.371 8.290 -0.338 0.000 0.451 103 I N 7.268 127.833 120.570 -0.009 0.000 2.328 103 I HA 0.301 4.603 4.170 -0.013 -0.141 0.287 103 I C -2.778 173.346 176.117 0.012 0.000 1.012 103 I CA -1.887 59.408 61.300 -0.008 0.000 1.195 103 I CB 2.228 40.218 38.000 -0.017 0.000 1.350 103 I HN 0.344 8.555 8.210 0.003 0.000 0.464 104 D N 9.730 130.153 120.400 0.038 0.000 2.454 104 D HA 0.183 4.847 4.640 0.040 0.000 0.225 104 D C -1.705 174.630 176.300 0.058 0.000 1.081 104 D CA -1.282 52.764 54.000 0.075 0.000 0.864 104 D CB 1.394 42.318 40.800 0.207 0.000 1.040 104 D HN 0.219 8.620 8.370 0.051 0.000 0.517 105 A N 5.774 128.563 122.820 -0.051 0.000 2.676 105 A HA 0.312 4.481 4.320 -0.253 0.000 0.297 105 A C 0.518 178.033 177.584 -0.114 0.000 1.132 105 A CA -0.875 51.019 52.037 -0.239 0.000 0.972 105 A CB 0.003 18.688 19.000 -0.525 0.000 1.197 105 A HN 0.315 8.436 8.150 -0.049 0.000 0.524 106 S N 1.020 116.736 115.700 0.026 0.000 2.419 106 S HA -0.307 4.146 4.470 -0.029 0.000 0.233 106 S C 0.474 175.129 174.600 0.092 0.000 1.016 106 S CA 2.525 60.746 58.200 0.035 0.000 0.974 106 S CB 0.331 63.558 63.200 0.045 0.000 0.786 106 S HN -0.481 8.123 8.310 0.092 -0.238 0.492 107 H N -2.791 116.362 119.070 0.138 0.000 2.539 107 H HA 0.189 4.778 4.556 0.055 0.000 0.269 107 H C -0.202 175.180 175.328 0.090 0.000 0.980 107 H CA -0.629 55.474 56.048 0.091 0.000 1.152 107 H CB -0.243 29.548 29.762 0.047 0.000 1.407 107 H HN 0.007 8.315 8.280 0.103 0.034 0.564 108 H N 1.485 120.358 119.070 -0.328 0.000 2.603 108 H HA -0.089 4.383 4.556 -0.139 0.000 0.370 108 H C -0.399 174.901 175.328 -0.046 0.000 1.225 108 H CA 0.970 56.910 56.048 -0.179 0.000 1.410 108 H CB 0.546 30.188 29.762 -0.200 0.000 1.495 108 H HN -0.766 7.370 8.280 0.007 0.148 0.602 109 A N 1.237 124.120 122.820 0.105 0.000 2.507 109 A HA -0.159 4.233 4.320 0.120 0.000 0.235 109 A C -0.083 177.595 177.584 0.158 0.000 1.070 109 A CA 0.136 52.246 52.037 0.121 0.000 0.768 109 A CB 0.858 19.916 19.000 0.097 0.000 1.011 109 A HN -0.248 8.135 8.150 0.075 -0.189 0.502 110 F N 1.727 121.712 119.950 0.059 0.000 2.063 110 F HA -0.486 4.096 4.527 0.093 0.000 0.298 110 F C 1.364 177.228 175.800 0.107 0.000 1.109 110 F CA 4.332 62.384 58.000 0.085 0.000 1.212 110 F CB 0.137 39.180 39.000 0.071 0.000 0.973 110 F HN 0.632 9.129 8.300 0.328 0.000 0.480 111 E N -3.506 116.749 120.200 0.092 0.000 2.150 111 E HA -0.286 3.953 4.350 -0.184 0.000 0.193 111 E C 2.922 179.460 176.600 -0.102 0.000 0.985 111 E CA 3.700 60.072 56.400 -0.047 0.000 0.814 111 E CB -1.033 28.715 29.700 0.082 0.000 0.752 111 E HN 0.586 9.093 8.360 0.246 0.000 0.466 112 E N -0.227 119.955 120.200 -0.031 0.000 2.072 112 E HA -0.314 4.012 4.350 -0.040 0.000 0.190 112 E C 2.099 178.635 176.600 -0.107 0.000 0.982 112 E CA 2.905 59.290 56.400 -0.025 0.000 0.803 112 E CB -0.290 29.467 29.700 0.095 0.000 0.755 112 E HN -0.616 7.756 8.360 0.020 0.000 0.453 113 N N 0.246 118.888 118.700 -0.097 0.000 2.084 113 N HA -0.245 4.375 4.740 -0.201 0.000 0.190 113 N C 1.931 177.399 175.510 -0.071 0.000 1.030 113 N CA 2.911 55.902 53.050 -0.098 0.000 0.849 113 N CB -0.084 38.399 38.487 -0.008 0.000 1.012 113 N HN -0.333 8.019 8.380 -0.048 0.000 0.423 114 L N -0.337 120.756 121.223 -0.217 0.000 2.046 114 L HA -0.281 3.615 4.340 -0.739 0.000 0.208 114 L C 1.163 177.808 176.870 -0.375 0.000 1.077 114 L CA 3.421 57.964 54.840 -0.496 0.000 0.747 114 L CB -0.249 41.400 42.059 -0.682 0.000 0.896 114 L HN -0.071 7.977 8.230 -0.303 0.000 0.432 115 E N -0.526 119.521 120.200 -0.255 0.000 2.031 115 E HA -0.399 3.828 4.350 -0.204 0.000 0.193 115 E C 2.321 178.808 176.600 -0.189 0.000 0.994 115 E CA 3.274 59.555 56.400 -0.199 0.000 0.800 115 E CB -0.016 29.598 29.700 -0.143 0.000 0.752 115 E HN -0.526 7.696 8.360 -0.230 0.000 0.447 116 L N -1.245 119.873 121.223 -0.175 0.000 2.017 116 L HA -0.302 3.953 4.340 -0.141 0.000 0.208 116 L C 1.841 178.640 176.870 -0.119 0.000 1.073 116 L CA 3.135 57.886 54.840 -0.149 0.000 0.745 116 L CB -0.180 41.769 42.059 -0.183 0.000 0.894 116 L HN -0.328 7.796 8.230 -0.177 0.000 0.432 117 T N 2.020 116.490 114.554 -0.140 0.000 2.720 117 T HA -0.483 3.827 4.350 -0.067 0.000 0.268 117 T C 1.880 176.471 174.700 -0.182 0.000 1.037 117 T CA 5.496 67.522 62.100 -0.123 0.000 1.144 117 T CB -0.278 68.535 68.868 -0.093 0.000 0.864 117 T HN 0.093 8.240 8.240 -0.154 0.000 0.444 118 S N 1.176 116.725 115.700 -0.252 0.000 2.399 118 S HA -0.257 4.058 4.470 -0.258 0.000 0.231 118 S C 1.543 176.045 174.600 -0.163 0.000 1.022 118 S CA 3.432 61.490 58.200 -0.236 0.000 0.983 118 S CB -0.599 62.454 63.200 -0.245 0.000 0.803 118 S HN -0.088 8.050 8.310 -0.287 0.000 0.480 119 K N 2.460 122.779 120.400 -0.136 0.000 2.057 119 K HA -0.225 4.018 4.320 -0.129 0.000 0.206 119 K C 2.251 178.893 176.600 0.070 0.000 1.050 119 K CA 3.149 59.369 56.287 -0.111 0.000 0.935 119 K CB -0.115 32.244 32.500 -0.235 0.000 0.715 119 K HN -0.677 7.373 8.250 -0.148 0.111 0.439 120 V N 0.008 119.995 119.914 0.122 0.000 2.343 120 V HA -0.538 3.759 4.120 0.296 0.000 0.247 120 V C 1.683 177.764 176.094 -0.021 0.000 1.051 120 V CA 4.393 66.778 62.300 0.142 0.000 1.036 120 V CB 0.055 31.907 31.823 0.049 0.000 0.654 120 V HN -0.443 7.784 8.190 0.061 0.000 0.451 121 V N -0.079 119.749 119.914 -0.143 0.000 2.343 121 V HA -0.573 3.316 4.120 -0.386 0.000 0.247 121 V C 1.596 177.497 176.094 -0.322 0.000 1.051 121 V CA 4.837 66.926 62.300 -0.351 0.000 1.036 121 V CB -0.461 31.091 31.823 -0.452 0.000 0.654 121 V HN 0.008 8.112 8.190 -0.143 0.000 0.451 122 K N -0.602 119.703 120.400 -0.158 0.000 2.032 122 K HA -0.402 3.875 4.320 -0.072 0.000 0.209 122 K C 2.207 178.813 176.600 0.011 0.000 1.048 122 K CA 3.551 59.799 56.287 -0.066 0.000 0.927 122 K CB -0.183 32.291 32.500 -0.043 0.000 0.712 122 K HN -0.562 7.608 8.250 -0.133 0.000 0.441 123 M N -0.915 118.722 119.600 0.061 0.000 2.099 123 M HA -0.262 4.276 4.480 0.097 0.000 0.262 123 M C 1.965 178.293 176.300 0.046 0.000 1.067 123 M CA 2.693 58.049 55.300 0.093 0.000 1.124 123 M CB -0.286 32.427 32.600 0.189 0.000 1.353 123 M HN -0.769 7.572 8.290 0.085 0.000 0.410 124 A N -1.530 121.302 122.820 0.020 0.000 1.897 124 A HA -0.349 3.992 4.320 0.034 0.000 0.215 124 A C 1.879 179.559 177.584 0.159 0.000 1.181 124 A CA 2.761 54.829 52.037 0.052 0.000 0.620 124 A CB -0.415 18.604 19.000 0.032 0.000 0.821 124 A HN 0.125 8.269 8.150 -0.009 0.000 0.443 125 H N -1.054 118.019 119.070 0.005 0.000 2.389 125 H HA -0.225 4.336 4.556 0.009 0.000 0.299 125 H C 3.202 178.537 175.328 0.012 0.000 1.081 125 H CA 2.175 58.227 56.048 0.007 0.000 1.345 125 H CB 0.140 29.902 29.762 -0.001 0.000 1.393 125 H HN 0.173 8.530 8.280 0.127 0.000 0.520 126 N N 0.779 119.564 118.700 0.141 0.000 2.272 126 N HA -0.229 4.556 4.740 0.074 0.000 0.185 126 N C 0.217 175.764 175.510 0.061 0.000 1.014 126 N CA 2.177 55.275 53.050 0.081 0.000 0.870 126 N CB 0.150 38.674 38.487 0.063 0.000 0.975 126 N HN -0.240 8.220 8.380 0.133 0.000 0.433 127 A N -3.889 118.970 122.820 0.066 0.000 2.387 127 A HA 0.291 4.636 4.320 0.041 0.000 0.234 127 A C 0.081 177.695 177.584 0.050 0.000 1.253 127 A CA -0.744 51.322 52.037 0.050 0.000 0.894 127 A CB 0.364 19.388 19.000 0.041 0.000 0.963 127 A HN -0.644 7.393 8.150 0.081 0.162 0.508 128 G N -0.964 107.867 108.800 0.052 0.000 2.176 128 G HA2 -0.295 3.673 3.960 0.013 0.000 0.252 128 G HA3 -0.295 3.682 3.960 0.029 0.000 0.252 128 G C -0.404 174.528 174.900 0.054 0.000 1.024 128 G CA 0.326 45.447 45.100 0.034 0.000 0.755 128 G HN -0.519 7.643 8.290 0.061 0.164 0.507 129 V N -0.596 119.372 119.914 0.089 0.000 2.581 129 V HA 0.010 4.194 4.120 0.107 0.000 0.303 129 V C -1.076 175.113 176.094 0.160 0.000 1.041 129 V CA -1.227 61.142 62.300 0.114 0.000 0.907 129 V CB 2.472 34.356 31.823 0.103 0.000 0.994 129 V HN -0.293 7.960 8.190 0.105 0.000 0.442 130 S N 4.784 120.583 115.700 0.165 0.000 2.632 130 S HA 0.273 4.974 4.470 0.162 -0.133 0.271 130 S C -1.009 173.621 174.600 0.050 0.000 1.260 130 S CA -0.725 57.565 58.200 0.151 0.000 1.010 130 S CB 1.196 64.555 63.200 0.264 0.000 0.965 130 S HN -0.292 8.125 8.310 0.179 0.000 0.534 131 V N 0.536 120.362 119.914 -0.146 0.000 2.709 131 V HA 0.651 4.929 4.120 -0.089 -0.211 0.308 131 V C -1.862 173.974 176.094 -0.430 0.000 1.062 131 V CA -1.736 60.452 62.300 -0.186 0.000 0.901 131 V CB 4.068 35.817 31.823 -0.123 0.000 1.003 131 V HN 0.423 8.800 8.190 -0.186 -0.298 0.425 132 E N 6.061 126.145 120.200 -0.193 0.000 2.195 132 E HA 0.871 5.347 4.350 -0.171 -0.228 0.271 132 E C -2.069 174.556 176.600 0.042 0.000 0.923 132 E CA -2.938 53.429 56.400 -0.056 0.000 0.790 132 E CB 4.080 33.952 29.700 0.287 0.000 1.155 132 E HN 0.234 8.573 8.360 -0.036 0.000 0.402 133 A N 3.235 126.099 122.820 0.073 0.000 2.483 133 A HA 0.885 5.424 4.320 0.056 -0.185 0.286 133 A C -2.465 175.108 177.584 -0.018 0.000 1.207 133 A CA -2.135 49.947 52.037 0.075 0.000 0.764 133 A CB 4.390 23.539 19.000 0.249 0.000 1.341 133 A HN -0.029 8.169 8.150 0.080 0.000 0.428 134 E N -0.950 119.182 120.200 -0.114 0.000 2.293 134 E HA 0.672 5.086 4.350 -0.152 -0.156 0.270 134 E C -1.868 174.567 176.600 -0.274 0.000 0.879 134 E CA -1.527 54.772 56.400 -0.170 0.000 0.756 134 E CB 3.721 33.338 29.700 -0.139 0.000 1.208 134 E HN 0.271 8.568 8.360 -0.105 0.000 0.428 135 L N 3.446 124.519 121.223 -0.250 0.000 2.408 135 L HA 0.307 4.516 4.340 -0.219 0.000 0.268 135 L C -1.843 174.958 176.870 -0.114 0.000 0.986 135 L CA -1.030 53.675 54.840 -0.225 0.000 0.820 135 L CB 3.417 45.309 42.059 -0.279 0.000 1.303 135 L HN -0.060 8.050 8.230 -0.201 0.000 0.411 136 G N 0.332 109.093 108.800 -0.066 0.000 2.663 136 G HA2 -0.329 3.696 3.960 -0.027 0.000 0.686 136 G HA3 -0.329 3.601 3.960 -0.050 0.000 0.686 136 G C -2.087 172.793 174.900 -0.033 0.000 1.288 136 G CA -0.642 44.432 45.100 -0.042 0.000 0.836 136 G HN 0.041 8.300 8.290 -0.052 0.000 0.584 137 R N 0.054 120.537 120.500 -0.027 0.000 2.338 137 R HA 0.242 4.571 4.340 -0.018 0.000 0.317 137 R C -0.884 175.384 176.300 -0.054 0.000 0.968 137 R CA -1.191 54.893 56.100 -0.026 0.000 0.849 137 R CB 1.465 31.759 30.300 -0.010 0.000 1.128 137 R HN 0.068 8.323 8.270 -0.026 0.000 0.448 138 L N 8.348 129.522 121.223 -0.082 0.000 2.536 138 L HA -0.068 4.203 4.340 -0.116 0.000 0.282 138 L C -1.079 175.721 176.870 -0.117 0.000 1.147 138 L CA 0.490 55.253 54.840 -0.129 0.000 0.936 138 L CB -0.690 41.228 42.059 -0.236 0.000 1.279 138 L HN 0.422 8.605 8.230 -0.078 0.000 0.461 139 M N 3.341 122.887 119.600 -0.090 0.000 2.833 139 M HA 0.164 4.583 4.480 -0.101 0.000 0.270 139 M C -1.483 174.782 176.300 -0.058 0.000 1.209 139 M CA -1.831 53.421 55.300 -0.079 0.000 0.826 139 M CB 4.719 37.288 32.600 -0.051 0.000 1.657 139 M HN -0.585 7.659 8.290 -0.077 0.000 0.492 140 G N -0.898 107.871 108.800 -0.051 0.000 2.544 140 G HA2 -0.044 4.124 3.960 0.035 0.000 0.242 140 G HA3 -0.044 3.933 3.960 0.028 0.000 0.242 140 G C -0.237 174.689 174.900 0.044 0.000 1.247 140 G CA -0.531 44.578 45.100 0.015 0.000 0.840 140 G HN 0.082 8.334 8.290 -0.064 0.000 0.578 153 V N 0.268 120.176 119.914 -0.010 0.000 2.221 153 V HA -0.198 3.917 4.120 -0.008 0.000 0.240 153 V C 0.694 176.777 176.094 -0.018 0.000 1.041 153 V CA 1.286 63.579 62.300 -0.012 0.000 0.991 153 V CB 0.217 32.032 31.823 -0.012 0.000 0.634 153 V HN -0.168 8.016 8.190 -0.010 0.000 0.450 154 L N -4.144 117.065 121.223 -0.023 0.000 2.479 154 L HA -0.100 4.219 4.340 -0.035 0.000 0.248 154 L C 0.694 177.544 176.870 -0.033 0.000 1.205 154 L CA -0.863 53.958 54.840 -0.031 0.000 0.817 154 L CB 0.079 42.118 42.059 -0.034 0.000 1.162 154 L HN -0.624 7.593 8.230 -0.021 0.000 0.486 155 V N -0.155 119.735 119.914 -0.039 0.000 2.788 155 V HA -0.254 3.840 4.120 -0.043 0.000 0.307 155 V C -1.736 174.337 176.094 -0.035 0.000 1.069 155 V CA 0.635 62.911 62.300 -0.041 0.000 1.173 155 V CB 1.282 33.079 31.823 -0.044 0.000 0.925 155 V HN -0.176 7.989 8.190 -0.042 0.000 0.492 156 N N 8.575 127.253 118.700 -0.037 0.000 2.457 156 N HA 0.315 5.032 4.740 -0.038 0.000 0.250 156 N C -1.320 174.169 175.510 -0.035 0.000 0.982 156 N CA -3.511 49.513 53.050 -0.043 0.000 0.941 156 N CB 0.345 38.792 38.487 -0.067 0.000 1.120 156 N HN 0.403 8.761 8.380 -0.037 0.000 0.505 157 P HA -0.222 4.198 4.420 -0.000 0.000 0.218 157 P C 0.770 178.069 177.300 -0.002 0.000 1.148 157 P CA 1.931 65.027 63.100 -0.007 0.000 0.822 157 P CB 0.428 32.126 31.700 -0.003 0.000 0.784 158 K N -4.174 116.211 120.400 -0.024 0.000 2.167 158 K HA -0.096 4.220 4.320 -0.006 0.000 0.203 158 K C 2.416 178.989 176.600 -0.044 0.000 1.052 158 K CA 1.457 57.727 56.287 -0.028 0.000 0.956 158 K CB -0.790 31.682 32.500 -0.046 0.000 0.735 158 K HN -0.414 7.969 8.250 -0.035 -0.154 0.451 159 E N 0.240 120.381 120.200 -0.098 0.000 2.077 159 E HA -0.338 3.815 4.350 -0.328 0.000 0.193 159 E C 2.169 178.860 176.600 0.153 0.000 0.989 159 E CA 3.159 59.469 56.400 -0.151 0.000 0.800 159 E CB -0.125 29.432 29.700 -0.239 0.000 0.746 159 E HN -0.687 7.841 8.360 -0.105 -0.231 0.452 160 A N -1.121 121.759 122.820 0.100 0.000 1.902 160 A HA -0.297 4.118 4.320 0.158 0.000 0.217 160 A C 1.710 179.406 177.584 0.188 0.000 1.181 160 A CA 3.343 55.460 52.037 0.134 0.000 0.623 160 A CB -0.994 18.035 19.000 0.047 0.000 0.818 160 A HN -0.091 8.001 8.150 0.038 0.081 0.443 161 E N -0.842 119.432 120.200 0.122 0.000 2.058 161 E HA -0.472 3.939 4.350 0.102 0.000 0.194 161 E C 1.961 178.648 176.600 0.145 0.000 0.997 161 E CA 3.176 59.641 56.400 0.109 0.000 0.801 161 E CB -0.200 29.538 29.700 0.064 0.000 0.746 161 E HN -0.439 7.972 8.360 0.085 0.000 0.450 162 Q N -0.779 119.126 119.800 0.175 0.000 2.079 162 Q HA -0.257 4.165 4.340 0.138 0.000 0.200 162 Q C 2.145 178.313 176.000 0.279 0.000 0.974 162 Q CA 2.891 58.817 55.803 0.204 0.000 0.840 162 Q CB 0.015 28.880 28.738 0.211 0.000 0.898 162 Q HN -0.778 7.586 8.270 0.157 0.000 0.430 163 F N 0.889 120.990 119.950 0.252 0.000 2.095 163 F HA -0.378 4.204 4.527 0.092 0.000 0.298 163 F C 1.511 177.338 175.800 0.045 0.000 1.104 163 F CA 3.942 62.032 58.000 0.149 0.000 1.232 163 F CB 0.273 39.382 39.000 0.181 0.000 0.987 163 F HN -0.117 8.540 8.300 0.594 0.000 0.475 164 V N -0.469 119.636 119.914 0.319 0.000 2.358 164 V HA -0.587 3.646 4.120 0.188 0.000 0.246 164 V C 2.137 178.262 176.094 0.052 0.000 1.047 164 V CA 3.882 66.291 62.300 0.181 0.000 1.035 164 V CB -0.050 31.881 31.823 0.179 0.000 0.658 164 V HN -0.093 8.316 8.190 0.364 0.000 0.452 165 K N -0.593 119.844 120.400 0.061 0.000 2.057 165 K HA -0.268 4.068 4.320 0.026 0.000 0.207 165 K C 2.109 178.698 176.600 -0.018 0.000 1.049 165 K CA 3.200 59.503 56.287 0.027 0.000 0.931 165 K CB -0.083 32.442 32.500 0.041 0.000 0.714 165 K HN -0.694 7.613 8.250 0.095 0.000 0.440 166 E N -2.632 117.537 120.200 -0.052 0.000 2.230 166 E HA -0.121 4.189 4.350 -0.067 0.000 0.192 166 E C 1.402 177.893 176.600 -0.182 0.000 0.987 166 E CA 1.971 58.311 56.400 -0.100 0.000 0.841 166 E CB 0.409 30.055 29.700 -0.090 0.000 0.783 166 E HN -0.362 7.975 8.360 -0.039 0.000 0.481 167 S N -1.860 113.671 115.700 -0.281 0.000 2.458 167 S HA 0.000 4.276 4.470 -0.324 0.000 0.223 167 S C 0.542 175.018 174.600 -0.206 0.000 1.019 167 S CA 1.188 59.184 58.200 -0.339 0.000 0.937 167 S CB 1.780 64.620 63.200 -0.601 0.000 0.788 167 S HN -0.465 7.665 8.310 -0.299 0.000 0.511 168 Q N -3.483 116.248 119.800 -0.116 0.000 2.481 168 Q HA -0.441 3.967 4.340 0.007 -0.064 0.258 168 Q C -0.921 175.074 176.000 -0.008 0.000 0.961 168 Q CA 0.982 56.770 55.803 -0.025 0.000 1.121 168 Q CB -2.932 25.815 28.738 0.015 0.000 1.503 168 Q HN -0.351 7.856 8.270 -0.104 0.000 0.544 169 V N -2.064 117.815 119.914 -0.059 0.000 2.901 169 V HA -0.351 3.713 4.120 -0.094 0.000 0.307 169 V C -0.265 175.836 176.094 0.011 0.000 1.084 169 V CA 1.205 63.481 62.300 -0.040 0.000 1.184 169 V CB 0.443 32.282 31.823 0.026 0.000 0.941 169 V HN -0.564 7.529 8.190 -0.092 0.042 0.493 170 D N 7.769 128.132 120.400 -0.061 0.000 2.183 170 D HA -0.080 4.600 4.640 0.065 0.000 0.205 170 D C -0.081 176.261 176.300 0.070 0.000 0.962 170 D CA 2.542 56.522 54.000 -0.034 0.000 0.849 170 D CB 1.252 41.990 40.800 -0.104 0.000 0.978 170 D HN -0.168 8.118 8.370 -0.140 0.000 0.488 171 Y N -6.918 113.425 120.300 0.073 0.000 2.588 171 Y HA 0.445 5.111 4.550 0.003 -0.114 0.343 171 Y C -1.871 174.061 175.900 0.054 0.000 1.065 171 Y CA -2.311 55.806 58.100 0.028 0.000 1.038 171 Y CB 2.753 41.203 38.460 -0.016 0.000 1.297 171 Y HN -0.547 7.469 8.280 -0.440 0.000 0.467 172 L N 0.612 121.946 121.223 0.184 0.000 2.408 172 L HA 0.628 5.173 4.340 0.090 -0.150 0.268 172 L C -2.048 174.870 176.870 0.079 0.000 0.986 172 L CA -1.665 53.235 54.840 0.100 0.000 0.820 172 L CB 4.862 46.961 42.059 0.066 0.000 1.303 172 L HN -0.236 8.102 8.230 0.180 0.000 0.411 173 A N 4.557 127.404 122.820 0.045 0.000 2.341 173 A HA 0.834 5.387 4.320 0.084 -0.182 0.326 173 A C -2.884 174.685 177.584 -0.025 0.000 1.402 173 A CA -3.889 48.178 52.037 0.050 0.000 0.957 173 A CB 0.323 19.369 19.000 0.077 0.000 1.151 173 A HN 0.693 8.853 8.150 0.017 0.000 0.533 174 P HA 0.485 5.017 4.420 -0.063 -0.149 0.296 174 P C -1.533 175.746 177.300 -0.035 0.000 1.306 174 P CA -1.654 61.423 63.100 -0.037 0.000 0.818 174 P CB 1.374 33.062 31.700 -0.020 0.000 0.969 175 A N 3.036 125.825 122.820 -0.053 0.000 2.451 175 A HA 0.109 4.399 4.320 -0.051 0.000 0.266 175 A C -0.493 177.060 177.584 -0.052 0.000 1.119 175 A CA -0.227 51.778 52.037 -0.054 0.000 0.786 175 A CB 0.727 19.691 19.000 -0.060 0.000 1.061 175 A HN -0.126 7.987 8.150 -0.062 0.000 0.503 176 I N -2.977 117.559 120.570 -0.057 0.000 4.160 176 I HA 0.310 4.433 4.170 -0.079 0.000 0.325 176 I C -0.325 175.740 176.117 -0.088 0.000 1.455 176 I CA -1.368 59.880 61.300 -0.086 0.000 1.142 176 I CB 0.567 38.494 38.000 -0.122 0.000 1.262 176 I HN 0.281 8.460 8.210 -0.050 0.000 0.483 177 G N -0.832 107.942 108.800 -0.044 0.000 2.227 177 G HA2 -0.309 3.821 3.960 0.001 0.000 0.168 177 G HA3 -0.309 3.667 3.960 0.026 0.000 0.168 177 G C -0.551 174.367 174.900 0.030 0.000 1.006 177 G CA -0.287 44.817 45.100 0.006 0.000 0.684 177 G HN 0.184 8.446 8.290 -0.046 0.000 0.489 178 T N -2.914 111.633 114.554 -0.013 0.000 2.788 178 T HA -0.028 4.250 4.350 -0.120 0.000 0.280 178 T C -1.727 172.877 174.700 -0.161 0.000 0.984 178 T CA -1.456 60.599 62.100 -0.076 0.000 0.972 178 T CB 1.444 70.304 68.868 -0.013 0.000 1.039 178 T HN -0.549 7.681 8.240 -0.017 0.000 0.530 179 S N -1.221 114.350 115.700 -0.215 0.000 2.596 179 S HA 0.330 4.632 4.470 -0.279 0.000 0.270 179 S C -1.324 173.184 174.600 -0.154 0.000 1.155 179 S CA -1.517 56.548 58.200 -0.224 0.000 0.827 179 S CB 2.643 65.731 63.200 -0.187 0.000 1.130 179 S HN 0.071 8.242 8.310 -0.232 0.000 0.467 180 H N 1.881 120.940 119.070 -0.019 0.000 2.707 180 H HA 0.033 4.598 4.556 0.014 0.000 0.359 180 H C 0.848 176.165 175.328 -0.017 0.000 1.113 180 H CA 1.448 57.494 56.048 -0.003 0.000 1.422 180 H CB 0.411 30.174 29.762 0.000 0.000 1.443 180 H HN 0.354 8.500 8.280 -0.222 0.000 0.591 181 G N 0.819 109.693 108.800 0.123 0.000 2.660 181 G HA2 -0.243 3.737 3.960 0.033 0.000 0.247 181 G HA3 -0.243 3.778 3.960 0.102 0.000 0.247 181 G C -0.953 173.909 174.900 -0.062 0.000 1.328 181 G CA -0.568 44.564 45.100 0.053 0.000 0.884 181 G HN 0.238 8.606 8.290 0.130 0.000 0.531 182 A N 0.233 122.936 122.820 -0.196 0.000 2.251 182 A HA 0.000 4.097 4.320 -0.372 0.000 0.209 182 A C -0.835 176.268 177.584 -0.801 0.000 1.187 182 A CA 0.776 52.476 52.037 -0.562 0.000 0.823 182 A CB 0.466 18.982 19.000 -0.807 0.000 0.846 182 A HN 0.322 8.408 8.150 -0.107 0.000 0.486 183 F N -4.957 114.955 119.950 -0.064 0.000 2.471 183 F HA 0.238 4.738 4.527 -0.046 0.000 0.318 183 F C -0.154 175.563 175.800 -0.139 0.000 1.308 183 F CA -0.815 57.144 58.000 -0.067 0.000 1.162 183 F CB -1.089 37.885 39.000 -0.044 0.000 1.383 183 F HN -0.446 7.808 8.300 0.015 0.055 0.552 184 K N -1.169 119.125 120.400 -0.178 0.000 2.314 184 K HA 0.048 4.127 4.320 -0.402 0.000 0.198 184 K C -1.103 175.049 176.600 -0.746 0.000 1.045 184 K CA 1.277 57.236 56.287 -0.546 0.000 0.988 184 K CB 1.284 33.255 32.500 -0.881 0.000 0.783 184 K HN -0.209 7.932 8.250 -0.181 0.000 0.484 185 F N -3.270 116.701 119.950 0.036 0.000 2.573 185 F HA 0.112 4.656 4.527 0.029 0.000 0.316 185 F C -1.141 174.681 175.800 0.037 0.000 1.148 185 F CA -1.304 56.711 58.000 0.026 0.000 0.940 185 F CB 2.540 41.540 39.000 -0.000 0.000 1.214 185 F HN -0.680 7.633 8.300 0.022 0.000 0.448 186 K N 4.038 124.561 120.400 0.205 0.000 2.264 186 K HA 0.149 4.547 4.320 0.130 0.000 0.277 186 K C 0.690 177.364 176.600 0.123 0.000 1.067 186 K CA -0.099 56.269 56.287 0.136 0.000 0.900 186 K CB 0.173 32.727 32.500 0.090 0.000 1.124 186 K HN 0.361 8.722 8.250 0.185 0.000 0.469 187 G N 4.484 113.339 108.800 0.092 0.000 2.627 187 G HA2 -0.330 3.650 3.960 0.034 0.000 0.214 187 G HA3 -0.330 3.661 3.960 0.052 0.000 0.214 187 G C -1.733 173.178 174.900 0.018 0.000 1.331 187 G CA -0.888 44.243 45.100 0.051 0.000 0.891 187 G HN 0.074 8.416 8.290 0.087 0.000 0.539 188 E N 1.716 121.898 120.200 -0.030 0.000 2.360 188 E HA 0.162 4.428 4.350 -0.141 0.000 0.269 188 E C -1.667 174.778 176.600 -0.259 0.000 1.022 188 E CA -1.545 54.785 56.400 -0.117 0.000 0.887 188 E CB 0.424 30.082 29.700 -0.071 0.000 0.990 188 E HN 0.142 8.493 8.360 -0.013 0.000 0.426 189 P HA -0.076 2.993 4.420 -2.253 0.000 0.265 189 P C -1.752 175.306 177.300 -0.403 0.000 1.187 189 P CA 0.697 63.056 63.100 -1.235 0.000 0.766 189 P CB 0.475 31.369 31.700 -1.344 0.000 0.820 190 K N 2.566 122.814 120.400 -0.255 0.000 2.525 190 K HA 0.228 4.693 4.320 0.242 0.000 0.254 190 K C -2.233 174.421 176.600 0.089 0.000 0.934 190 K CA -0.691 55.653 56.287 0.095 0.000 0.802 190 K CB 2.359 34.889 32.500 0.050 0.000 1.295 190 K HN 0.067 8.049 8.250 -0.447 0.000 0.433 191 L N 2.551 123.694 121.223 -0.133 0.000 2.350 191 L HA 0.392 4.722 4.340 -0.194 -0.106 0.260 191 L C -1.255 175.267 176.870 -0.580 0.000 1.015 191 L CA -1.492 53.096 54.840 -0.418 0.000 0.821 191 L CB 3.434 45.015 42.059 -0.796 0.000 1.370 191 L HN 0.045 8.157 8.230 -0.196 0.000 0.416 192 D N 1.901 122.038 120.400 -0.437 0.000 2.522 192 D HA 0.165 4.688 4.640 -0.196 0.000 0.218 192 D C 0.285 176.417 176.300 -0.279 0.000 1.149 192 D CA -1.579 52.261 54.000 -0.266 0.000 0.981 192 D CB -0.808 39.912 40.800 -0.132 0.000 1.041 192 D HN 0.034 8.187 8.370 -0.361 0.000 0.518 193 F N 2.995 122.903 119.950 -0.070 0.000 2.325 193 F HA -0.268 4.224 4.527 -0.058 0.000 0.299 193 F C 1.561 177.333 175.800 -0.047 0.000 1.090 193 F CA 2.947 60.904 58.000 -0.071 0.000 1.392 193 F CB 0.119 39.050 39.000 -0.115 0.000 1.053 193 F HN -0.446 7.743 8.300 -0.185 0.000 0.521 194 E N -1.140 119.126 120.200 0.110 0.000 2.077 194 E HA -0.370 4.020 4.350 0.066 0.000 0.193 194 E C 2.332 178.953 176.600 0.034 0.000 0.989 194 E CA 3.018 59.454 56.400 0.060 0.000 0.800 194 E CB -0.809 28.912 29.700 0.035 0.000 0.746 194 E HN -0.142 8.273 8.360 0.092 0.000 0.452 195 R N -0.521 119.985 120.500 0.010 0.000 2.081 195 R HA -0.285 4.055 4.340 -0.001 0.000 0.235 195 R C 2.313 178.617 176.300 0.007 0.000 1.131 195 R CA 2.944 59.042 56.100 -0.004 0.000 0.960 195 R CB -0.099 30.184 30.300 -0.028 0.000 0.856 195 R HN -0.630 7.906 8.270 -0.003 -0.268 0.436 196 L N -1.066 120.166 121.223 0.015 0.000 2.012 196 L HA -0.379 3.973 4.340 0.021 0.000 0.210 196 L C 1.698 178.598 176.870 0.051 0.000 1.073 196 L CA 3.299 58.161 54.840 0.037 0.000 0.748 196 L CB -0.304 41.801 42.059 0.076 0.000 0.891 196 L HN -0.516 7.644 8.230 0.006 0.073 0.431 197 Q N -2.131 117.705 119.800 0.061 0.000 2.170 197 Q HA -0.363 4.008 4.340 0.051 0.000 0.203 197 Q C 2.759 178.781 176.000 0.036 0.000 0.976 197 Q CA 3.151 58.984 55.803 0.049 0.000 0.858 197 Q CB -0.163 28.603 28.738 0.046 0.000 0.907 197 Q HN -0.255 8.058 8.270 0.072 0.000 0.433 198 E N 0.485 120.703 120.200 0.029 0.000 2.072 198 E HA -0.237 4.127 4.350 0.023 0.000 0.190 198 E C 2.256 178.872 176.600 0.026 0.000 0.982 198 E CA 2.648 59.061 56.400 0.023 0.000 0.803 198 E CB -0.362 29.346 29.700 0.014 0.000 0.755 198 E HN -0.625 7.752 8.360 0.029 0.000 0.453 199 V N 0.103 120.032 119.914 0.025 0.000 2.332 199 V HA -0.555 3.582 4.120 0.028 0.000 0.248 199 V C 2.272 178.390 176.094 0.041 0.000 1.055 199 V CA 4.361 66.678 62.300 0.028 0.000 1.038 199 V CB -0.221 31.614 31.823 0.021 0.000 0.651 199 V HN -0.252 7.951 8.190 0.022 0.000 0.450 200 K N -0.202 120.226 120.400 0.046 0.000 2.057 200 K HA -0.253 4.105 4.320 0.064 0.000 0.207 200 K C 1.811 178.449 176.600 0.063 0.000 1.049 200 K CA 2.482 58.805 56.287 0.061 0.000 0.931 200 K CB -0.492 32.047 32.500 0.065 0.000 0.714 200 K HN -0.245 8.032 8.250 0.044 0.000 0.440 201 R N -0.682 119.847 120.500 0.049 0.000 2.081 201 R HA -0.223 4.146 4.340 0.049 0.000 0.235 201 R C 2.133 178.460 176.300 0.045 0.000 1.131 201 R CA 2.933 59.060 56.100 0.045 0.000 0.960 201 R CB -0.180 30.139 30.300 0.032 0.000 0.856 201 R HN -0.567 7.728 8.270 0.043 0.000 0.436 202 L N -5.267 115.981 121.223 0.042 0.000 2.341 202 L HA -0.021 4.342 4.340 0.039 0.000 0.214 202 L C 1.493 178.394 176.870 0.051 0.000 1.115 202 L CA 1.898 56.763 54.840 0.042 0.000 0.820 202 L CB 0.419 42.501 42.059 0.038 0.000 0.944 202 L HN -0.492 7.763 8.230 0.040 0.000 0.452 203 T N -6.664 107.923 114.554 0.055 0.000 3.042 203 T HA -0.073 4.315 4.350 0.063 0.000 0.245 203 T C 0.922 175.650 174.700 0.046 0.000 1.029 203 T CA 0.219 62.354 62.100 0.058 0.000 1.120 203 T CB 1.438 70.344 68.868 0.063 0.000 0.917 203 T HN -0.378 7.895 8.240 0.055 0.000 0.467 204 N N 2.008 120.743 118.700 0.059 0.000 2.714 204 N HA -0.434 4.446 4.740 0.151 -0.050 0.252 204 N C -1.548 173.927 175.510 -0.058 0.000 1.014 204 N CA 1.463 54.560 53.050 0.079 0.000 0.735 204 N CB -1.542 37.001 38.487 0.093 0.000 0.924 204 N HN -0.118 8.303 8.380 0.069 0.000 0.540 205 I N -9.241 111.256 120.570 -0.120 0.000 3.239 205 I HA 0.652 4.544 4.170 -0.463 0.000 0.314 205 I C -2.329 173.625 176.117 -0.271 0.000 1.126 205 I CA -3.818 57.322 61.300 -0.266 0.000 0.973 205 I CB 1.403 39.366 38.000 -0.061 0.000 1.252 205 I HN -0.946 7.223 8.210 -0.041 0.016 0.463 206 P HA 0.252 4.845 4.420 -0.083 -0.223 0.271 206 P C -1.122 176.170 177.300 -0.013 0.000 1.216 206 P CA -0.166 62.865 63.100 -0.115 0.000 0.776 206 P CB 0.326 31.940 31.700 -0.144 0.000 0.881 207 L N 0.762 121.973 121.223 -0.020 0.000 2.333 207 L HA 0.718 5.250 4.340 0.042 -0.166 0.269 207 L C -0.562 176.285 176.870 -0.038 0.000 1.010 207 L CA -1.516 53.328 54.840 0.007 0.000 0.818 207 L CB 3.951 46.024 42.059 0.023 0.000 1.306 207 L HN -0.459 7.888 8.230 -0.028 -0.134 0.430 208 V N -0.477 119.439 119.914 0.002 0.000 2.487 208 V HA 0.477 4.702 4.120 -0.119 -0.176 0.298 208 V C -1.462 174.658 176.094 0.044 0.000 1.028 208 V CA -1.446 60.838 62.300 -0.027 0.000 0.860 208 V CB 2.675 34.515 31.823 0.029 0.000 0.991 208 V HN 0.250 8.465 8.190 0.041 0.000 0.427 209 L N 7.627 128.844 121.223 -0.011 0.000 2.262 209 L HA 0.449 4.838 4.340 0.082 0.000 0.288 209 L C -1.981 174.906 176.870 0.028 0.000 1.035 209 L CA -1.763 53.100 54.840 0.040 0.000 0.820 209 L CB 1.987 44.062 42.059 0.027 0.000 1.204 209 L HN 0.345 8.529 8.230 -0.077 0.000 0.424 210 H N 6.324 125.399 119.070 0.008 0.000 2.508 210 H HA 0.097 4.710 4.556 0.095 0.000 0.358 210 H C 0.563 175.916 175.328 0.041 0.000 1.212 210 H CA 0.906 56.995 56.048 0.068 0.000 1.356 210 H CB 2.411 32.245 29.762 0.121 0.000 1.525 210 H HN 0.499 8.964 8.280 0.308 0.000 0.578 211 G N -0.798 108.134 108.800 0.220 0.000 2.295 211 G HA2 -0.459 3.627 3.960 0.210 0.000 0.287 211 G HA3 -0.459 3.647 3.960 0.046 -0.118 0.287 211 G C -0.996 173.947 174.900 0.072 0.000 1.055 211 G CA 0.533 45.714 45.100 0.135 0.000 0.922 211 G HN 0.807 9.287 8.290 0.316 0.000 0.503 212 A N -2.962 119.899 122.820 0.069 0.000 2.379 212 A HA 0.170 4.548 4.320 0.096 0.000 0.236 212 A C -0.980 176.657 177.584 0.087 0.000 1.272 212 A CA -0.574 51.507 52.037 0.073 0.000 0.886 212 A CB 0.749 19.771 19.000 0.037 0.000 0.962 212 A HN -0.704 7.482 8.150 0.060 0.000 0.504 213 S N -2.320 113.423 115.700 0.072 0.000 2.568 213 S HA -0.229 4.382 4.470 0.102 -0.080 0.282 213 S C 0.430 175.080 174.600 0.082 0.000 1.338 213 S CA 0.423 58.669 58.200 0.077 0.000 1.045 213 S CB 0.448 63.672 63.200 0.040 0.000 0.873 213 S HN -0.724 7.575 8.310 0.062 0.049 0.516 214 A N 3.893 126.778 122.820 0.108 0.000 2.115 214 A HA 0.370 4.975 4.320 0.049 -0.256 0.211 214 A C -0.559 176.997 177.584 -0.046 0.000 1.169 214 A CA -0.412 51.661 52.037 0.061 0.000 0.787 214 A CB 1.260 20.380 19.000 0.199 0.000 0.858 214 A HN 0.339 9.000 8.150 0.138 -0.428 0.474 215 I N -3.775 116.782 120.570 -0.023 0.000 6.399 215 I HA -0.385 3.824 4.170 -0.043 -0.064 0.126 215 I C -2.903 173.166 176.117 -0.079 0.000 1.513 215 I CA -1.103 60.160 61.300 -0.062 0.000 2.479 215 I CB -3.087 34.844 38.000 -0.115 0.000 2.875 215 I HN -0.273 8.256 8.210 0.007 -0.315 0.285 216 P HA 0.080 4.386 4.420 -0.190 0.000 0.269 216 P C 0.046 177.336 177.300 -0.017 0.000 1.215 216 P CA -0.457 62.629 63.100 -0.023 0.000 0.780 216 P CB 0.791 32.616 31.700 0.209 0.000 0.898 217 D N 1.652 122.031 120.400 -0.035 0.000 2.104 217 D HA -0.390 4.233 4.640 -0.028 0.000 0.194 217 D C 1.592 177.907 176.300 0.026 0.000 0.994 217 D CA 4.282 58.274 54.000 -0.013 0.000 0.830 217 D CB -0.278 40.514 40.800 -0.013 0.000 0.959 217 D HN 0.450 8.782 8.370 -0.064 0.000 0.452 218 N N -1.518 117.213 118.700 0.051 0.000 2.309 218 N HA -0.227 4.541 4.740 0.047 0.000 0.182 218 N C 2.076 177.624 175.510 0.063 0.000 1.018 218 N CA 2.792 55.875 53.050 0.056 0.000 0.876 218 N CB -1.011 37.514 38.487 0.062 0.000 0.972 218 N HN 0.485 8.905 8.380 0.067 0.000 0.434 219 V N 2.296 122.250 119.914 0.068 0.000 2.346 219 V HA -0.466 3.706 4.120 0.087 0.000 0.244 219 V C 1.502 177.647 176.094 0.085 0.000 1.037 219 V CA 3.851 66.197 62.300 0.076 0.000 1.029 219 V CB -0.075 31.788 31.823 0.067 0.000 0.663 219 V HN -0.793 7.418 8.190 0.067 0.019 0.454 220 R N -0.393 120.138 120.500 0.052 0.000 2.096 220 R HA -0.459 3.922 4.340 0.069 0.000 0.240 220 R C 1.693 178.054 176.300 0.102 0.000 1.139 220 R CA 3.961 60.099 56.100 0.062 0.000 0.952 220 R CB -0.254 30.056 30.300 0.016 0.000 0.854 220 R HN -0.127 8.160 8.270 0.030 0.000 0.436 221 K N -1.453 118.990 120.400 0.071 0.000 2.057 221 K HA -0.297 4.058 4.320 0.058 0.000 0.207 221 K C 2.113 178.756 176.600 0.072 0.000 1.049 221 K CA 3.378 59.702 56.287 0.062 0.000 0.931 221 K CB -0.302 32.223 32.500 0.041 0.000 0.714 221 K HN -0.209 8.074 8.250 0.056 0.000 0.440 222 S N 0.144 115.894 115.700 0.084 0.000 2.359 222 S HA -0.366 4.137 4.470 0.053 0.000 0.224 222 S C 1.966 176.630 174.600 0.107 0.000 1.035 222 S CA 3.726 61.976 58.200 0.083 0.000 1.018 222 S CB 0.064 63.319 63.200 0.093 0.000 0.876 222 S HN -0.399 7.961 8.310 0.083 0.000 0.448 223 Y N 2.393 122.711 120.300 0.029 0.000 2.200 223 Y HA -0.366 4.210 4.550 0.043 0.000 0.290 223 Y C 1.707 177.627 175.900 0.034 0.000 1.137 223 Y CA 3.809 61.931 58.100 0.037 0.000 1.163 223 Y CB 0.184 38.667 38.460 0.038 0.000 0.988 223 Y HN -0.468 7.975 8.280 0.271 0.000 0.518 224 L N -1.324 119.973 121.223 0.123 0.000 2.093 224 L HA -0.312 4.210 4.340 0.040 -0.158 0.208 224 L C 2.850 179.713 176.870 -0.012 0.000 1.085 224 L CA 2.447 57.318 54.840 0.051 0.000 0.755 224 L CB -0.442 41.665 42.059 0.080 0.000 0.904 224 L HN -0.104 8.230 8.230 0.173 0.000 0.435 225 D N -0.234 120.165 120.400 -0.002 0.000 2.218 225 D HA -0.189 4.446 4.640 -0.009 0.000 0.204 225 D C 0.794 177.068 176.300 -0.043 0.000 0.976 225 D CA 2.531 56.523 54.000 -0.014 0.000 0.853 225 D CB -0.364 40.436 40.800 -0.001 0.000 0.939 225 D HN 0.033 8.416 8.370 0.021 0.000 0.481 226 A N -3.293 119.477 122.820 -0.084 0.000 2.370 226 A HA 0.026 4.302 4.320 -0.074 0.000 0.238 226 A C -0.264 177.230 177.584 -0.150 0.000 1.289 226 A CA -0.465 51.505 52.037 -0.112 0.000 0.885 226 A CB -0.119 18.803 19.000 -0.129 0.000 0.961 226 A HN -0.763 7.197 8.150 -0.095 0.133 0.499 227 G N -2.473 106.249 108.800 -0.130 0.000 2.157 227 G HA2 -0.306 3.615 3.960 -0.065 0.000 0.248 227 G HA3 -0.306 3.602 3.960 -0.087 0.000 0.248 227 G C 0.239 175.047 174.900 -0.152 0.000 0.979 227 G CA -0.073 44.964 45.100 -0.105 0.000 0.650 227 G HN -0.363 7.687 8.290 -0.105 0.177 0.529 228 G N -0.010 108.593 108.800 -0.328 0.000 2.606 228 G HA2 -0.086 3.684 3.960 -0.317 0.000 0.252 228 G HA3 -0.086 3.266 3.960 -1.107 -0.056 0.252 228 G C -1.749 173.175 174.900 0.039 0.000 1.206 228 G CA -0.741 44.108 45.100 -0.419 0.000 0.861 228 G HN -0.400 7.605 8.290 -0.399 0.045 0.561 229 D N -0.841 119.714 120.400 0.257 0.000 2.440 229 D HA 0.194 4.942 4.640 0.179 0.000 0.239 229 D C -0.699 175.787 176.300 0.311 0.000 1.084 229 D CA -0.829 53.312 54.000 0.236 0.000 0.843 229 D CB 0.245 41.145 40.800 0.166 0.000 1.097 229 D HN 0.136 8.718 8.370 0.352 0.000 0.531 230 L N 4.496 125.868 121.223 0.248 0.000 3.202 230 L HA 0.151 4.603 4.340 0.187 0.000 0.278 230 L C -0.928 176.052 176.870 0.184 0.000 1.268 230 L CA -1.149 53.797 54.840 0.176 0.000 1.034 230 L CB 0.669 42.774 42.059 0.076 0.000 1.407 230 L HN 0.352 8.712 8.230 0.217 0.000 0.581 231 K N 0.858 121.381 120.400 0.205 0.000 2.472 231 K HA -0.332 4.068 4.320 0.134 0.000 0.280 231 K C 0.828 177.585 176.600 0.261 0.000 1.028 231 K CA 2.260 58.651 56.287 0.174 0.000 1.045 231 K CB 0.166 32.741 32.500 0.124 0.000 0.902 231 K HN -0.593 8.059 8.250 0.198 -0.284 0.478 232 G N 4.623 113.543 108.800 0.198 0.000 2.195 232 G HA2 -0.326 3.732 3.960 0.162 0.000 0.246 232 G HA3 -0.326 3.798 3.960 0.272 0.000 0.246 232 G C -0.522 174.545 174.900 0.277 0.000 0.984 232 G CA -0.056 45.186 45.100 0.237 0.000 0.633 232 G HN 0.448 8.822 8.290 0.140 0.000 0.525 233 S N 1.611 117.382 115.700 0.118 0.000 2.564 233 S HA 0.027 4.327 4.470 -0.434 -0.090 0.278 233 S C -0.547 173.984 174.600 -0.116 0.000 1.333 233 S CA -0.220 57.828 58.200 -0.254 0.000 1.048 233 S CB 1.167 64.064 63.200 -0.504 0.000 0.900 233 S HN -0.517 7.808 8.310 0.113 0.053 0.505 234 K N 3.578 123.904 120.400 -0.122 0.000 2.550 234 K HA 0.291 4.589 4.320 -0.036 0.000 0.252 234 K C -1.614 174.990 176.600 0.006 0.000 0.943 234 K CA -0.257 56.025 56.287 -0.008 0.000 0.806 234 K CB 3.710 36.284 32.500 0.123 0.000 1.289 234 K HN 0.105 8.238 8.250 -0.194 0.000 0.435 235 G N 2.813 111.619 108.800 0.010 0.000 2.753 235 G HA2 0.613 4.578 3.960 0.008 0.000 0.285 235 G HA3 0.613 4.581 3.960 -0.011 -0.015 0.285 235 G C -1.277 173.735 174.900 0.185 0.000 1.344 235 G CA -2.001 43.122 45.100 0.039 0.000 1.050 235 G HN -0.164 8.110 8.290 -0.026 0.000 0.532 236 V N 1.541 121.569 119.914 0.190 0.000 2.508 236 V HA 0.054 4.388 4.120 0.358 0.000 0.281 236 V C -1.331 174.776 176.094 0.022 0.000 1.041 236 V CA -1.878 60.562 62.300 0.233 0.000 1.016 236 V CB 0.250 32.239 31.823 0.276 0.000 0.984 236 V HN 0.052 8.325 8.190 0.139 0.000 0.478 237 P HA 0.021 4.233 4.420 -0.348 0.000 0.267 237 P C 0.098 177.421 177.300 0.038 0.000 1.200 237 P CA 0.007 62.941 63.100 -0.277 0.000 0.772 237 P CB 0.669 32.013 31.700 -0.592 0.000 0.855 238 F N 2.680 122.641 119.950 0.017 0.000 2.091 238 F HA -0.452 4.118 4.527 0.073 0.000 0.299 238 F C 1.880 177.745 175.800 0.109 0.000 1.103 238 F CA 3.568 61.605 58.000 0.062 0.000 1.228 238 F CB -0.814 38.208 39.000 0.037 0.000 0.984 238 F HN 0.434 8.570 8.300 -0.273 0.000 0.477 239 E N -1.697 118.690 120.200 0.312 0.000 2.204 239 E HA -0.220 4.459 4.350 0.210 -0.202 0.195 239 E C 2.585 179.409 176.600 0.374 0.000 0.990 239 E CA 3.200 59.767 56.400 0.278 0.000 0.821 239 E CB -0.805 29.039 29.700 0.241 0.000 0.750 239 E HN 0.468 8.977 8.360 0.248 0.000 0.477 240 F N -0.791 119.232 119.950 0.121 0.000 2.206 240 F HA -0.149 4.481 4.527 0.173 0.000 0.298 240 F C 1.855 177.792 175.800 0.228 0.000 1.090 240 F CA 1.315 59.441 58.000 0.211 0.000 1.323 240 F CB -0.359 38.810 39.000 0.281 0.000 1.028 240 F HN -0.657 7.881 8.300 0.588 0.115 0.492 241 L N -0.958 120.498 121.223 0.388 0.000 2.046 241 L HA -0.503 3.998 4.340 0.268 0.000 0.208 241 L C 2.233 179.205 176.870 0.171 0.000 1.077 241 L CA 3.453 58.451 54.840 0.264 0.000 0.747 241 L CB -0.838 41.362 42.059 0.236 0.000 0.896 241 L HN -0.434 7.950 8.230 0.394 0.083 0.432 242 Q N -1.778 118.107 119.800 0.142 0.000 2.084 242 Q HA -0.405 3.968 4.340 0.055 0.000 0.202 242 Q C 2.702 178.702 176.000 -0.000 0.000 0.978 242 Q CA 3.470 59.310 55.803 0.062 0.000 0.844 242 Q CB -0.212 28.556 28.738 0.051 0.000 0.898 242 Q HN -0.251 8.126 8.270 0.178 0.000 0.426 243 E N -0.682 119.476 120.200 -0.069 0.000 2.110 243 E HA -0.253 3.931 4.350 -0.276 0.000 0.193 243 E C 2.721 179.229 176.600 -0.154 0.000 0.988 243 E CA 2.556 58.775 56.400 -0.303 0.000 0.804 243 E CB -0.501 28.680 29.700 -0.865 0.000 0.745 243 E HN -0.457 7.886 8.360 -0.028 0.000 0.458 244 S N 0.468 116.232 115.700 0.107 0.000 2.368 244 S HA -0.234 4.450 4.470 0.356 0.000 0.225 244 S C 2.435 177.098 174.600 0.104 0.000 1.030 244 S CA 3.567 61.910 58.200 0.239 0.000 0.999 244 S CB -0.488 62.869 63.200 0.262 0.000 0.844 244 S HN -0.323 7.983 8.310 0.159 0.100 0.459 245 V N 2.301 122.252 119.914 0.063 0.000 2.358 245 V HA -0.406 3.929 4.120 0.028 -0.198 0.246 245 V C 2.778 178.879 176.094 0.012 0.000 1.047 245 V CA 3.822 66.142 62.300 0.032 0.000 1.035 245 V CB -0.270 31.575 31.823 0.037 0.000 0.658 245 V HN -0.534 7.697 8.190 0.068 0.000 0.452 246 K N -1.224 119.171 120.400 -0.009 0.000 2.147 246 K HA -0.263 4.045 4.320 -0.021 0.000 0.205 246 K C 1.941 178.530 176.600 -0.018 0.000 1.049 246 K CA 2.647 58.917 56.287 -0.028 0.000 0.936 246 K CB -0.314 32.148 32.500 -0.063 0.000 0.722 246 K HN -0.408 7.832 8.250 -0.017 0.000 0.446 247 G N -5.353 103.449 108.800 0.004 0.000 2.813 247 G HA2 0.063 4.036 3.960 0.022 0.000 0.209 247 G HA3 0.063 4.071 3.960 0.079 0.000 0.209 247 G C -0.659 174.271 174.900 0.049 0.000 1.150 247 G CA -0.220 44.904 45.100 0.039 0.000 0.785 247 G HN -0.430 7.745 8.290 0.009 0.121 0.535 248 G N -2.318 106.505 108.800 0.038 0.000 2.227 248 G HA2 -0.224 3.757 3.960 0.035 0.000 0.168 248 G HA3 -0.224 3.771 3.960 0.058 0.000 0.168 248 G C -0.615 174.307 174.900 0.037 0.000 1.006 248 G CA -0.574 44.552 45.100 0.044 0.000 0.684 248 G HN -0.612 7.535 8.290 0.030 0.161 0.489 249 I N 2.269 122.857 120.570 0.030 0.000 2.598 249 I HA -0.334 3.954 4.170 -0.008 -0.123 0.284 249 I C -0.811 175.278 176.117 -0.046 0.000 1.140 249 I CA -0.196 61.104 61.300 -0.001 0.000 1.420 249 I CB -2.019 35.993 38.000 0.020 0.000 1.387 249 I HN -0.355 7.883 8.210 0.046 0.000 0.553 250 N N 6.512 125.148 118.700 -0.105 0.000 2.210 250 N HA 0.251 5.052 4.740 -0.147 -0.150 0.203 250 N C -0.859 174.490 175.510 -0.268 0.000 1.175 250 N CA 0.355 53.300 53.050 -0.174 0.000 0.894 250 N CB 3.069 41.441 38.487 -0.192 0.000 1.041 250 N HN 0.595 8.907 8.380 -0.113 0.000 0.506 251 K N 1.223 121.436 120.400 -0.312 0.000 2.471 251 K HA 0.665 4.900 4.320 -0.480 -0.204 0.252 251 K C -2.631 173.769 176.600 -0.333 0.000 0.938 251 K CA -1.144 54.867 56.287 -0.460 0.000 0.796 251 K CB 3.637 35.700 32.500 -0.729 0.000 1.161 251 K HN -0.629 7.469 8.250 -0.253 0.000 0.425 252 V N 7.202 126.917 119.914 -0.332 0.000 2.357 252 V HA 0.303 4.311 4.120 -0.187 0.000 0.281 252 V C -1.570 174.334 176.094 -0.317 0.000 1.015 252 V CA -1.459 60.697 62.300 -0.241 0.000 0.827 252 V CB 1.442 33.175 31.823 -0.150 0.000 1.018 252 V HN 0.194 8.155 8.190 -0.382 0.000 0.432 253 N N 8.961 127.487 118.700 -0.291 0.000 2.475 253 N HA 0.203 4.905 4.740 -0.339 -0.165 0.267 253 N C -1.016 174.394 175.510 -0.167 0.000 1.169 253 N CA 0.369 53.245 53.050 -0.290 0.000 0.947 253 N CB 0.863 39.136 38.487 -0.357 0.000 1.061 253 N HN 0.355 8.575 8.380 -0.267 0.000 0.466 254 T N 5.389 119.842 114.554 -0.168 0.000 2.937 254 T HA 0.287 4.647 4.350 0.016 0.000 0.297 254 T C -2.225 172.530 174.700 0.092 0.000 0.991 254 T CA 0.128 62.217 62.100 -0.019 0.000 0.990 254 T CB 2.528 71.401 68.868 0.009 0.000 0.991 254 T HN 0.334 8.437 8.240 -0.228 0.000 0.440 255 D N 5.799 126.251 120.400 0.087 0.000 2.690 255 D HA 0.312 5.020 4.640 0.114 0.000 0.235 255 D C 0.769 177.099 176.300 0.051 0.000 1.327 255 D CA 1.550 55.598 54.000 0.079 0.000 1.264 255 D CB 1.329 42.154 40.800 0.041 0.000 1.574 255 D HN -0.218 8.194 8.370 0.071 0.000 0.421 256 T N 3.596 118.165 114.554 0.026 0.000 2.665 256 T HA -0.435 3.900 4.350 -0.024 0.000 0.268 256 T C 1.725 176.421 174.700 -0.006 0.000 1.035 256 T CA 5.271 67.364 62.100 -0.011 0.000 1.151 256 T CB -0.195 68.651 68.868 -0.037 0.000 0.862 256 T HN -0.162 8.095 8.240 0.029 0.000 0.438 257 D N 0.972 121.391 120.400 0.031 0.000 2.123 257 D HA -0.230 4.421 4.640 0.019 0.000 0.196 257 D C 2.195 178.534 176.300 0.066 0.000 0.992 257 D CA 3.382 57.412 54.000 0.050 0.000 0.833 257 D CB -0.460 40.402 40.800 0.103 0.000 0.954 257 D HN -0.576 7.824 8.370 0.049 0.000 0.455 258 L N -1.360 119.915 121.223 0.086 0.000 2.046 258 L HA -0.306 4.089 4.340 0.092 0.000 0.208 258 L C 1.935 178.859 176.870 0.090 0.000 1.077 258 L CA 3.207 58.099 54.840 0.088 0.000 0.747 258 L CB -0.508 41.603 42.059 0.087 0.000 0.896 258 L HN -0.624 7.666 8.230 0.100 0.000 0.432 259 R N -1.058 119.468 120.500 0.044 0.000 2.073 259 R HA -0.360 3.999 4.340 0.030 0.000 0.234 259 R C 2.718 179.074 176.300 0.094 0.000 1.134 259 R CA 3.604 59.728 56.100 0.039 0.000 0.952 259 R CB -0.215 30.075 30.300 -0.015 0.000 0.850 259 R HN -0.636 7.651 8.270 0.028 0.000 0.433 260 I N -0.930 119.645 120.570 0.008 0.000 2.226 260 I HA -0.479 3.608 4.170 -0.138 0.000 0.245 260 I C 1.648 177.842 176.117 0.128 0.000 1.100 260 I CA 3.700 64.962 61.300 -0.063 0.000 1.374 260 I CB -0.322 37.547 38.000 -0.218 0.000 1.057 260 I HN -0.182 8.018 8.210 -0.018 0.000 0.413 261 A N -0.200 122.700 122.820 0.133 0.000 1.902 261 A HA -0.317 4.092 4.320 0.147 0.000 0.217 261 A C 1.703 179.411 177.584 0.207 0.000 1.181 261 A CA 3.038 55.170 52.037 0.158 0.000 0.623 261 A CB -0.806 18.269 19.000 0.125 0.000 0.818 261 A HN -0.511 7.701 8.150 0.105 0.000 0.443 262 F N -0.095 119.910 119.950 0.092 0.000 2.084 262 F HA -0.260 4.481 4.527 0.106 -0.150 0.296 262 F C 1.475 177.374 175.800 0.164 0.000 1.111 262 F CA 3.200 61.264 58.000 0.108 0.000 1.224 262 F CB 1.122 40.163 39.000 0.067 0.000 0.991 262 F HN -0.784 7.737 8.300 0.369 0.000 0.471 263 I N -2.065 118.787 120.570 0.470 0.000 2.493 263 I HA -0.475 3.945 4.170 0.416 0.000 0.254 263 I C 1.813 178.112 176.117 0.303 0.000 1.160 263 I CA 1.311 62.856 61.300 0.409 0.000 1.445 263 I CB -1.654 36.598 38.000 0.421 0.000 1.086 263 I HN -0.161 8.328 8.210 0.465 0.000 0.433 264 A N 0.194 123.216 122.820 0.337 0.000 1.908 264 A HA -0.393 4.003 4.320 0.126 0.000 0.218 264 A C 1.777 179.412 177.584 0.084 0.000 1.181 264 A CA 3.760 55.927 52.037 0.215 0.000 0.627 264 A CB -0.934 18.224 19.000 0.264 0.000 0.818 264 A HN 0.010 8.388 8.150 0.380 0.000 0.445 265 E N -2.124 118.111 120.200 0.059 0.000 2.107 265 E HA -0.236 4.110 4.350 -0.007 0.000 0.191 265 E C 2.497 179.110 176.600 0.022 0.000 0.982 265 E CA 2.306 58.703 56.400 -0.004 0.000 0.809 265 E CB -0.498 29.160 29.700 -0.069 0.000 0.756 265 E HN -0.593 7.807 8.360 0.067 0.000 0.459 266 V N 0.473 120.440 119.914 0.089 0.000 2.343 266 V HA -0.522 3.799 4.120 0.336 0.000 0.247 266 V C 1.962 178.198 176.094 0.237 0.000 1.051 266 V CA 4.516 66.967 62.300 0.252 0.000 1.036 266 V CB -0.305 31.714 31.823 0.327 0.000 0.654 266 V HN -0.676 7.479 8.190 0.074 0.079 0.451 267 R N -1.576 119.005 120.500 0.135 0.000 2.096 267 R HA -0.387 4.014 4.340 0.101 0.000 0.235 267 R C 1.985 178.306 176.300 0.035 0.000 1.127 267 R CA 3.931 60.072 56.100 0.068 0.000 0.968 267 R CB -0.418 29.856 30.300 -0.043 0.000 0.861 267 R HN 0.123 8.466 8.270 0.123 0.000 0.440 268 K N 0.022 120.425 120.400 0.005 0.000 2.002 268 K HA -0.299 4.001 4.320 -0.034 0.000 0.209 268 K C 2.195 178.763 176.600 -0.053 0.000 1.048 268 K CA 3.398 59.667 56.287 -0.030 0.000 0.930 268 K CB -0.204 32.272 32.500 -0.040 0.000 0.714 268 K HN -0.593 7.664 8.250 0.011 0.000 0.438 269 V N -0.850 119.004 119.914 -0.100 0.000 2.287 269 V HA -0.504 3.467 4.120 -0.249 0.000 0.248 269 V C 1.745 177.759 176.094 -0.134 0.000 1.053 269 V CA 4.022 66.167 62.300 -0.259 0.000 1.027 269 V CB -0.149 31.278 31.823 -0.660 0.000 0.646 269 V HN -0.719 7.420 8.190 -0.085 0.000 0.447 270 A N -1.197 121.698 122.820 0.125 0.000 1.908 270 A HA -0.355 4.164 4.320 0.332 0.000 0.218 270 A C 2.231 179.871 177.584 0.093 0.000 1.181 270 A CA 3.179 55.363 52.037 0.244 0.000 0.627 270 A CB -0.620 18.552 19.000 0.287 0.000 0.818 270 A HN -0.206 8.062 8.150 0.198 0.000 0.445 271 N N -2.772 115.953 118.700 0.042 0.000 2.142 271 N HA -0.252 4.502 4.740 0.023 0.000 0.186 271 N C 1.692 177.201 175.510 -0.002 0.000 1.023 271 N CA 2.502 55.561 53.050 0.014 0.000 0.852 271 N CB -0.243 38.240 38.487 -0.007 0.000 0.998 271 N HN 0.022 8.423 8.380 0.036 0.000 0.424 272 E N -2.343 117.841 120.200 -0.027 0.000 2.075 272 E HA -0.016 4.316 4.350 -0.030 0.000 0.190 272 E C -0.356 176.219 176.600 -0.042 0.000 0.969 272 E CA 1.207 57.583 56.400 -0.041 0.000 0.815 272 E CB 1.189 30.851 29.700 -0.063 0.000 0.776 272 E HN -0.624 7.714 8.360 -0.038 0.000 0.457 273 D N -0.780 119.584 120.400 -0.061 0.000 2.464 273 D HA 0.187 4.801 4.640 -0.044 0.000 0.243 273 D C 0.208 176.502 176.300 -0.009 0.000 1.104 273 D CA -1.369 52.596 54.000 -0.058 0.000 0.883 273 D CB 0.082 40.812 40.800 -0.117 0.000 1.050 273 D HN -0.499 7.822 8.370 -0.080 0.000 0.524 274 K N 5.374 125.787 120.400 0.021 0.000 2.439 274 K HA -0.041 4.329 4.320 0.083 0.000 0.197 274 K C 0.650 177.308 176.600 0.097 0.000 1.041 274 K CA 0.860 57.185 56.287 0.063 0.000 0.970 274 K CB -0.579 31.952 32.500 0.051 0.000 0.773 274 K HN 0.493 8.749 8.250 0.011 0.000 0.479 275 S N -2.212 113.528 115.700 0.067 0.000 2.556 275 S HA 0.052 4.625 4.470 0.172 0.000 0.216 275 S C -0.125 174.508 174.600 0.056 0.000 0.970 275 S CA -0.395 57.865 58.200 0.100 0.000 0.912 275 S CB 0.272 63.499 63.200 0.045 0.000 0.790 275 S HN -0.511 8.016 8.310 0.028 -0.200 0.504 276 Q N 3.251 123.070 119.800 0.032 0.000 2.314 276 Q HA -0.073 4.131 4.340 -0.227 0.000 0.257 276 Q C -0.655 175.465 176.000 0.200 0.000 0.975 276 Q CA 0.168 55.931 55.803 -0.066 0.000 0.933 276 Q CB -0.260 28.365 28.738 -0.188 0.000 1.195 276 Q HN -0.878 7.366 8.270 0.053 0.058 0.426 277 F N 1.118 121.162 119.950 0.157 0.000 2.859 277 F HA 0.264 4.969 4.527 0.297 0.000 0.324 277 F C -1.144 174.734 175.800 0.130 0.000 1.158 277 F CA -1.957 56.152 58.000 0.182 0.000 1.147 277 F CB 0.834 39.885 39.000 0.085 0.000 1.137 277 F HN -0.004 7.926 8.300 -0.616 0.000 0.516 278 D N 3.588 123.999 120.400 0.019 0.000 2.338 278 D HA 0.025 4.712 4.640 0.078 0.000 0.255 278 D C 0.787 177.157 176.300 0.116 0.000 1.237 278 D CA -0.329 53.694 54.000 0.038 0.000 0.883 278 D CB 0.852 41.607 40.800 -0.076 0.000 1.087 278 D HN -0.446 8.146 8.370 -0.126 -0.297 0.485 279 L N 5.804 127.081 121.223 0.089 0.000 2.043 279 L HA -0.437 3.777 4.340 -0.210 0.000 0.212 279 L C 1.611 178.422 176.870 -0.099 0.000 1.075 279 L CA 3.244 58.046 54.840 -0.063 0.000 0.752 279 L CB 0.012 42.120 42.059 0.082 0.000 0.891 279 L HN 0.538 8.833 8.230 0.109 0.000 0.432 280 R N -2.880 117.653 120.500 0.056 0.000 2.152 280 R HA -0.406 4.042 4.340 0.181 0.000 0.232 280 R C 2.452 178.762 176.300 0.016 0.000 1.117 280 R CA 3.412 59.568 56.100 0.093 0.000 0.981 280 R CB -0.539 29.818 30.300 0.095 0.000 0.870 280 R HN -0.491 8.008 8.270 0.075 -0.184 0.451 281 K N -1.738 118.631 120.400 -0.053 0.000 2.217 281 K HA -0.179 4.066 4.320 -0.124 0.000 0.202 281 K C 1.494 177.932 176.600 -0.270 0.000 1.051 281 K CA 1.837 58.026 56.287 -0.163 0.000 0.952 281 K CB -0.542 31.813 32.500 -0.241 0.000 0.736 281 K HN -0.491 7.713 8.250 -0.034 0.025 0.453 282 F N -2.498 117.267 119.950 -0.310 0.000 2.219 282 F HA -0.213 4.179 4.527 -0.224 0.000 0.294 282 F C 1.708 177.383 175.800 -0.208 0.000 1.086 282 F CA 3.739 61.524 58.000 -0.358 0.000 1.330 282 F CB 0.570 39.172 39.000 -0.663 0.000 1.047 282 F HN -0.699 7.592 8.300 -0.015 0.000 0.495 283 F N -3.714 116.323 119.950 0.144 0.000 2.698 283 F HA 0.026 4.462 4.527 -0.152 0.000 0.295 283 F C 1.766 177.560 175.800 -0.009 0.000 1.124 283 F CA -0.769 57.247 58.000 0.028 0.000 1.426 283 F CB -0.786 38.335 39.000 0.201 0.000 1.120 283 F HN -0.302 7.959 8.300 -0.065 0.000 0.583 284 S N 1.051 116.851 115.700 0.167 0.000 2.345 284 S HA -0.038 4.512 4.470 0.132 0.000 0.220 284 S C -0.789 173.829 174.600 0.029 0.000 1.031 284 S CA 5.114 63.373 58.200 0.099 0.000 0.996 284 S CB -2.750 60.492 63.200 0.070 0.000 0.882 284 S HN -0.118 8.272 8.310 0.134 0.000 0.445 285 P HA -0.128 4.273 4.420 -0.032 0.000 0.217 285 P C 0.597 177.847 177.300 -0.084 0.000 1.150 285 P CA 2.356 65.428 63.100 -0.047 0.000 0.832 285 P CB -0.618 31.040 31.700 -0.071 0.000 0.787 286 A N -2.602 120.110 122.820 -0.179 0.000 1.902 286 A HA -0.297 3.808 4.320 -0.357 0.000 0.217 286 A C 2.166 179.606 177.584 -0.241 0.000 1.181 286 A CA 3.015 54.770 52.037 -0.470 0.000 0.623 286 A CB -0.754 17.461 19.000 -1.308 0.000 0.818 286 A HN -0.642 7.420 8.150 -0.146 0.000 0.443 287 Q N -1.375 118.394 119.800 -0.051 0.000 2.084 287 Q HA -0.353 4.124 4.340 0.228 0.000 0.202 287 Q C 2.454 178.487 176.000 0.056 0.000 0.978 287 Q CA 3.110 58.980 55.803 0.111 0.000 0.844 287 Q CB -0.045 28.757 28.738 0.106 0.000 0.898 287 Q HN -0.318 7.926 8.270 -0.043 0.000 0.426 288 L N -0.549 120.686 121.223 0.021 0.000 2.046 288 L HA -0.307 4.040 4.340 0.012 0.000 0.208 288 L C 0.982 177.859 176.870 0.011 0.000 1.077 288 L CA 2.983 57.829 54.840 0.011 0.000 0.747 288 L CB -0.536 41.526 42.059 0.004 0.000 0.896 288 L HN -0.517 7.718 8.230 0.009 0.000 0.432 289 A N -1.387 121.441 122.820 0.013 0.000 1.898 289 A HA -0.334 4.000 4.320 0.022 0.000 0.216 289 A C 1.820 179.433 177.584 0.048 0.000 1.181 289 A CA 3.136 55.191 52.037 0.029 0.000 0.620 289 A CB -0.755 18.265 19.000 0.033 0.000 0.819 289 A HN -0.463 7.687 8.150 -0.000 0.000 0.442 290 L N -1.098 120.176 121.223 0.085 0.000 2.017 290 L HA -0.435 3.958 4.340 0.088 0.000 0.208 290 L C 1.466 178.330 176.870 -0.010 0.000 1.073 290 L CA 3.001 57.894 54.840 0.087 0.000 0.745 290 L CB -0.157 42.016 42.059 0.191 0.000 0.894 290 L HN -0.472 7.820 8.230 0.103 0.000 0.432 291 K N -0.916 119.473 120.400 -0.019 0.000 2.044 291 K HA -0.456 3.792 4.320 -0.120 0.000 0.210 291 K C 2.163 178.714 176.600 -0.082 0.000 1.049 291 K CA 3.500 59.743 56.287 -0.074 0.000 0.927 291 K CB -0.296 32.175 32.500 -0.047 0.000 0.713 291 K HN 0.148 8.404 8.250 0.010 0.000 0.443 292 N N -1.435 117.240 118.700 -0.041 0.000 2.166 292 N HA -0.209 4.503 4.740 -0.046 0.000 0.186 292 N C 2.408 177.896 175.510 -0.037 0.000 1.019 292 N CA 2.708 55.737 53.050 -0.035 0.000 0.856 292 N CB -0.308 38.172 38.487 -0.011 0.000 0.993 292 N HN -0.491 7.876 8.380 -0.021 0.000 0.426 293 V N 0.974 120.874 119.914 -0.023 0.000 2.295 293 V HA -0.499 3.633 4.120 0.020 0.000 0.246 293 V C 1.486 177.548 176.094 -0.054 0.000 1.049 293 V CA 4.578 66.876 62.300 -0.003 0.000 1.024 293 V CB -0.052 31.791 31.823 0.033 0.000 0.648 293 V HN -0.587 7.596 8.190 -0.012 0.000 0.447 294 V N -0.096 119.719 119.914 -0.165 0.000 2.343 294 V HA -0.602 3.309 4.120 -0.349 0.000 0.247 294 V C 1.715 177.684 176.094 -0.208 0.000 1.051 294 V CA 4.680 66.769 62.300 -0.351 0.000 1.036 294 V CB -0.430 30.990 31.823 -0.672 0.000 0.654 294 V HN -0.529 7.559 8.190 -0.170 0.000 0.451 295 K N -0.338 119.967 120.400 -0.158 0.000 2.032 295 K HA -0.345 3.905 4.320 -0.117 0.000 0.209 295 K C 2.621 179.171 176.600 -0.083 0.000 1.048 295 K CA 3.661 59.882 56.287 -0.110 0.000 0.927 295 K CB -0.274 32.172 32.500 -0.090 0.000 0.712 295 K HN -0.195 7.964 8.250 -0.153 0.000 0.441 296 E N -1.689 118.463 120.200 -0.079 0.000 2.110 296 E HA -0.277 4.011 4.350 -0.104 0.000 0.193 296 E C 2.695 179.223 176.600 -0.121 0.000 0.988 296 E CA 2.528 58.866 56.400 -0.103 0.000 0.804 296 E CB -0.422 29.216 29.700 -0.104 0.000 0.745 296 E HN -0.533 7.784 8.360 -0.073 0.000 0.458 297 R N -0.086 120.379 120.500 -0.058 0.000 2.092 297 R HA -0.197 4.102 4.340 -0.069 0.000 0.231 297 R C 2.477 178.798 176.300 0.036 0.000 1.119 297 R CA 2.112 58.215 56.100 0.005 0.000 0.970 297 R CB -0.539 29.863 30.300 0.169 0.000 0.864 297 R HN -0.404 7.844 8.270 -0.037 0.000 0.440 298 M N -0.884 118.740 119.600 0.040 0.000 2.159 298 M HA -0.355 4.173 4.480 0.080 0.000 0.263 298 M C 2.635 178.918 176.300 -0.029 0.000 1.063 298 M CA 4.118 59.437 55.300 0.031 0.000 1.110 298 M CB -0.060 32.539 32.600 -0.002 0.000 1.374 298 M HN -0.050 8.249 8.290 0.016 0.000 0.411 299 K N -1.205 119.160 120.400 -0.059 0.000 2.057 299 K HA -0.344 3.932 4.320 -0.074 0.000 0.206 299 K C 2.600 179.153 176.600 -0.078 0.000 1.050 299 K CA 3.047 59.288 56.287 -0.075 0.000 0.935 299 K CB -0.140 32.309 32.500 -0.084 0.000 0.715 299 K HN -0.694 7.517 8.250 -0.065 0.000 0.439 300 L N -0.717 120.444 121.223 -0.104 0.000 2.017 300 L HA -0.298 3.972 4.340 -0.117 0.000 0.208 300 L C 1.105 177.950 176.870 -0.041 0.000 1.073 300 L CA 2.851 57.623 54.840 -0.112 0.000 0.745 300 L CB 0.116 42.050 42.059 -0.208 0.000 0.894 300 L HN -0.544 7.614 8.230 -0.120 0.000 0.432 301 L N -6.868 114.348 121.223 -0.012 0.000 2.492 301 L HA -0.089 4.271 4.340 0.034 0.000 0.223 301 L C 0.475 177.375 176.870 0.050 0.000 1.132 301 L CA 0.483 55.341 54.840 0.029 0.000 0.850 301 L CB 0.294 42.377 42.059 0.041 0.000 0.966 301 L HN -0.395 7.828 8.230 -0.013 0.000 0.454 302 G N -2.553 106.246 108.800 -0.001 0.000 2.157 302 G HA2 -0.427 3.490 3.960 -0.072 0.000 0.239 302 G HA3 -0.427 3.538 3.960 0.007 0.000 0.239 302 G C -0.040 174.737 174.900 -0.206 0.000 0.982 302 G CA 0.763 45.835 45.100 -0.046 0.000 0.650 302 G HN -0.407 7.835 8.290 -0.023 0.034 0.527 303 S N -0.085 115.529 115.700 -0.142 0.000 2.496 303 S HA -0.129 3.928 4.470 -0.689 0.000 0.224 303 S C 0.533 174.986 174.600 -0.245 0.000 0.996 303 S CA 0.092 58.126 58.200 -0.277 0.000 0.927 303 S CB 0.366 63.570 63.200 0.007 0.000 0.774 303 S HN -0.363 7.925 8.310 -0.037 0.000 0.524 304 A N 2.125 124.849 122.820 -0.159 0.000 2.540 304 A HA -0.318 4.062 4.320 -0.106 -0.123 0.239 304 A C -0.113 177.377 177.584 -0.157 0.000 1.061 304 A CA 1.135 53.096 52.037 -0.128 0.000 0.758 304 A CB -0.255 18.689 19.000 -0.094 0.000 0.991 304 A HN -0.791 7.257 8.150 -0.127 0.027 0.502 305 N N -0.025 118.604 118.700 -0.117 0.000 2.776 305 N HA -0.309 4.389 4.740 -0.070 0.000 0.249 305 N C -0.216 175.215 175.510 -0.133 0.000 1.111 305 N CA 1.905 54.895 53.050 -0.100 0.000 0.711 305 N CB -1.909 36.526 38.487 -0.086 0.000 1.065 305 N HN 0.197 8.425 8.380 -0.094 0.096 0.556 306 K N -4.700 115.599 120.400 -0.169 0.000 2.414 306 K HA 0.245 4.464 4.320 -0.169 0.000 0.204 306 K C -0.492 176.074 176.600 -0.058 0.000 1.026 306 K CA -1.679 54.494 56.287 -0.189 0.000 1.108 306 K CB 0.462 32.685 32.500 -0.462 0.000 0.855 306 K HN -0.436 7.718 8.250 -0.160 0.000 0.517 307 I N 0.000 120.554 120.570 -0.026 0.000 2.984 307 I HA 0.000 4.189 4.170 0.032 0.000 0.288 307 I CA 0.000 61.314 61.300 0.024 0.000 1.566 307 I CB 0.000 38.036 38.000 0.061 0.000 1.214 307 I HN 0.000 8.189 8.210 -0.035 0.000 0.494