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_Z 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 4.504 4.480 0.041 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 L N 1.974 123.199 121.223 0.003 0.000 2.462 2 L HA 0.323 4.844 4.340 -0.035 -0.202 0.272 2 L C 0.148 177.003 176.870 -0.024 0.000 1.166 2 L CA 0.188 55.016 54.840 -0.021 0.000 0.880 2 L CB -0.385 41.662 42.059 -0.021 0.000 1.142 2 L HN -0.019 8.215 8.230 0.007 0.000 0.473 3 V N -0.396 119.489 119.914 -0.047 0.000 3.130 3 V HA 0.528 4.641 4.120 -0.011 0.000 0.310 3 V C -1.860 174.214 176.094 -0.034 0.000 1.158 3 V CA -3.141 59.141 62.300 -0.030 0.000 1.029 3 V CB 3.869 35.678 31.823 -0.024 0.000 1.057 3 V HN 0.694 8.837 8.190 -0.078 0.000 0.436 4 K N 0.173 120.578 120.400 0.008 0.000 2.436 4 K HA -0.071 4.433 4.320 0.055 -0.151 0.275 4 K C 1.539 178.177 176.600 0.064 0.000 0.999 4 K CA 0.327 56.643 56.287 0.048 0.000 0.980 4 K CB -0.262 32.276 32.500 0.063 0.000 0.919 4 K HN 0.336 8.595 8.250 0.015 0.000 0.484 5 G N 3.051 111.941 108.800 0.150 0.000 2.450 5 G HA2 -0.388 3.521 3.960 -0.085 0.000 0.220 5 G HA3 -0.388 3.910 3.960 0.563 0.000 0.220 5 G C 0.822 175.959 174.900 0.396 0.000 1.130 5 G CA 2.115 47.376 45.100 0.269 0.000 0.760 5 G HN 0.403 8.812 8.290 0.198 0.000 0.557 6 N N 0.571 119.511 118.700 0.399 0.000 2.309 6 N HA -0.204 4.805 4.740 0.448 0.000 0.182 6 N C 1.853 177.466 175.510 0.171 0.000 1.018 6 N CA 2.431 55.684 53.050 0.339 0.000 0.876 6 N CB 0.035 38.663 38.487 0.234 0.000 0.972 6 N HN -0.321 8.245 8.380 0.343 0.020 0.434 7 E N -0.021 120.251 120.200 0.121 0.000 2.058 7 E HA -0.320 4.071 4.350 0.069 0.000 0.194 7 E C 2.398 179.046 176.600 0.079 0.000 0.997 7 E CA 3.233 59.679 56.400 0.077 0.000 0.801 7 E CB -0.068 29.661 29.700 0.049 0.000 0.746 7 E HN -0.562 7.852 8.360 0.118 0.017 0.450 8 I N -1.430 119.197 120.570 0.094 0.000 2.286 8 I HA -0.405 3.822 4.170 0.095 0.000 0.245 8 I C 1.761 177.927 176.117 0.082 0.000 1.104 8 I CA 3.499 64.866 61.300 0.111 0.000 1.397 8 I CB 0.125 38.213 38.000 0.147 0.000 1.072 8 I HN -0.854 7.413 8.210 0.096 0.000 0.417 9 L N -1.859 119.406 121.223 0.070 0.000 2.313 9 L HA -0.209 4.057 4.340 -0.123 0.000 0.214 9 L C 2.361 179.213 176.870 -0.029 0.000 1.119 9 L CA 2.125 56.922 54.840 -0.072 0.000 0.809 9 L CB -0.515 41.386 42.059 -0.263 0.000 0.933 9 L HN -0.501 7.803 8.230 0.122 0.000 0.449 10 L N -1.086 120.160 121.223 0.038 0.000 2.056 10 L HA -0.432 3.954 4.340 0.078 0.000 0.207 10 L C 1.769 178.671 176.870 0.054 0.000 1.078 10 L CA 3.506 58.386 54.840 0.066 0.000 0.749 10 L CB -0.575 41.527 42.059 0.072 0.000 0.901 10 L HN 0.091 8.359 8.230 0.064 0.000 0.433 11 K N -0.769 119.640 120.400 0.015 0.000 2.057 11 K HA -0.413 3.919 4.320 0.020 0.000 0.206 11 K C 1.776 178.263 176.600 -0.188 0.000 1.050 11 K CA 3.341 59.625 56.287 -0.006 0.000 0.935 11 K CB -0.196 32.344 32.500 0.067 0.000 0.715 11 K HN -0.801 7.466 8.250 0.028 0.000 0.439 12 A N -2.349 120.240 122.820 -0.384 0.000 1.908 12 A HA -0.331 2.830 4.320 -1.932 0.000 0.218 12 A C 1.654 178.948 177.584 -0.484 0.000 1.181 12 A CA 3.167 54.652 52.037 -0.920 0.000 0.627 12 A CB -0.701 17.905 19.000 -0.657 0.000 0.818 12 A HN -0.453 7.549 8.150 -0.247 0.000 0.445 13 H N -0.172 118.727 119.070 -0.286 0.000 2.357 13 H HA -0.251 4.291 4.556 -0.165 -0.085 0.301 13 H C 1.949 177.207 175.328 -0.117 0.000 1.082 13 H CA 3.186 59.136 56.048 -0.163 0.000 1.342 13 H CB 0.083 29.791 29.762 -0.090 0.000 1.389 13 H HN -0.269 7.898 8.280 -0.036 0.092 0.511 14 K N -1.430 118.875 120.400 -0.158 0.000 2.057 14 K HA -0.198 3.980 4.320 -0.236 0.000 0.206 14 K C 1.817 178.337 176.600 -0.133 0.000 1.050 14 K CA 2.368 58.561 56.287 -0.156 0.000 0.935 14 K CB 0.237 32.723 32.500 -0.024 0.000 0.715 14 K HN -0.338 7.887 8.250 -0.041 0.000 0.439 15 E N -4.408 115.731 120.200 -0.102 0.000 2.474 15 E HA 0.081 4.439 4.350 0.013 0.000 0.195 15 E C -0.235 176.379 176.600 0.024 0.000 1.039 15 E CA -0.423 55.986 56.400 0.014 0.000 0.881 15 E CB 0.663 30.478 29.700 0.191 0.000 0.970 15 E HN -0.562 7.708 8.360 -0.151 0.000 0.486 16 G N -0.430 108.306 108.800 -0.106 0.000 2.256 16 G HA2 -0.300 3.590 3.960 -0.116 0.000 0.272 16 G HA3 -0.300 3.639 3.960 -0.035 0.000 0.272 16 G C -1.053 173.868 174.900 0.035 0.000 1.076 16 G CA 0.573 45.634 45.100 -0.066 0.000 0.882 16 G HN -0.241 7.929 8.290 -0.199 0.000 0.497 17 Y N -5.097 115.186 120.300 -0.028 0.000 2.662 17 Y HA 0.451 4.985 4.550 -0.026 0.000 0.335 17 Y C -1.869 174.013 175.900 -0.030 0.000 1.066 17 Y CA -3.082 55.003 58.100 -0.026 0.000 1.116 17 Y CB 1.505 39.952 38.460 -0.022 0.000 1.308 17 Y HN -0.825 7.216 8.280 -0.397 0.000 0.502 18 G N -1.770 107.140 108.800 0.183 0.000 2.400 18 G HA2 0.416 4.473 3.960 -0.046 0.000 0.333 18 G HA3 0.416 4.392 3.960 0.026 0.000 0.333 18 G C -2.490 172.483 174.900 0.122 0.000 1.143 18 G CA -1.473 43.659 45.100 0.053 0.000 0.914 18 G HN -0.118 8.317 8.290 0.242 0.000 0.480 19 V N 1.824 121.732 119.914 -0.010 0.000 2.378 19 V HA 0.238 4.415 4.120 0.095 0.000 0.288 19 V C -0.336 175.659 176.094 -0.164 0.000 1.016 19 V CA -1.678 60.625 62.300 0.005 0.000 0.840 19 V CB 2.626 34.470 31.823 0.034 0.000 0.994 19 V HN 0.081 8.094 8.190 -0.109 0.111 0.431 20 G N 5.825 114.522 108.800 -0.171 0.000 2.380 20 G HA2 -0.037 3.724 3.960 -0.591 0.000 0.242 20 G HA3 -0.037 3.441 3.960 -0.803 0.000 0.242 20 G C -1.993 172.417 174.900 -0.816 0.000 1.298 20 G CA -0.126 44.597 45.100 -0.628 0.000 0.878 20 G HN 0.474 8.747 8.290 -0.028 0.000 0.542 21 A N 4.477 126.756 122.820 -0.901 0.000 2.293 21 A HA 0.688 5.036 4.320 -0.244 -0.175 0.312 21 A C -2.230 175.047 177.584 -0.513 0.000 1.309 21 A CA -1.774 49.960 52.037 -0.504 0.000 0.839 21 A CB 1.988 20.737 19.000 -0.418 0.000 1.155 21 A HN 0.022 7.652 8.150 -0.867 0.000 0.501 22 F N 2.889 122.878 119.950 0.065 0.000 2.444 22 F HA 0.695 5.460 4.527 0.048 -0.210 0.342 22 F C -0.104 175.780 175.800 0.139 0.000 1.121 22 F CA -2.092 55.947 58.000 0.065 0.000 0.997 22 F CB 2.402 41.418 39.000 0.027 0.000 1.130 22 F HN 0.204 8.579 8.300 0.124 0.000 0.454 23 N N 3.200 122.072 118.700 0.286 0.000 2.525 23 N HA 0.490 5.654 4.740 0.318 -0.233 0.271 23 N C -0.426 175.272 175.510 0.314 0.000 1.194 23 N CA 0.686 53.893 53.050 0.263 0.000 0.964 23 N CB 1.536 40.096 38.487 0.122 0.000 1.126 23 N HN -0.224 8.298 8.380 0.237 0.000 0.452 24 F N -2.445 117.547 119.950 0.070 0.000 2.603 24 F HA 0.492 5.003 4.527 -0.026 0.000 0.317 24 F C -1.558 174.248 175.800 0.011 0.000 1.066 24 F CA -2.052 55.960 58.000 0.020 0.000 0.941 24 F CB 3.205 42.232 39.000 0.046 0.000 1.291 24 F HN -0.274 8.240 8.300 0.356 0.000 0.472 25 V N -6.949 112.890 119.914 -0.124 0.000 3.451 25 V HA 0.197 4.121 4.120 -0.327 0.000 0.288 25 V C -1.999 174.117 176.094 0.037 0.000 1.502 25 V CA -0.490 61.689 62.300 -0.202 0.000 1.026 25 V CB 1.457 33.102 31.823 -0.297 0.000 0.840 25 V HN -0.296 7.884 8.190 -0.016 0.000 0.437 26 N N -3.167 115.625 118.700 0.153 0.000 3.378 26 N HA 0.036 4.945 4.740 0.283 0.000 0.294 26 N C -1.161 174.516 175.510 0.279 0.000 1.544 26 N CA -0.983 52.208 53.050 0.235 0.000 0.872 26 N CB 0.743 39.327 38.487 0.161 0.000 1.670 26 N HN -0.915 7.572 8.380 0.180 0.000 0.551 27 F N 0.377 120.400 119.950 0.121 0.000 2.113 27 F HA -0.102 4.487 4.527 0.103 0.000 0.297 27 F C 1.135 176.986 175.800 0.085 0.000 1.103 27 F CA 3.603 61.661 58.000 0.096 0.000 1.248 27 F CB 0.298 39.340 39.000 0.070 0.000 0.999 27 F HN 0.339 8.860 8.300 0.368 0.000 0.475 28 E N -1.038 119.059 120.200 -0.172 0.000 2.058 28 E HA -0.389 3.720 4.350 -0.403 0.000 0.194 28 E C 2.653 179.138 176.600 -0.192 0.000 0.997 28 E CA 3.994 60.265 56.400 -0.216 0.000 0.801 28 E CB -0.651 29.114 29.700 0.108 0.000 0.746 28 E HN 0.204 8.661 8.360 0.067 -0.057 0.450 29 M N -1.282 118.221 119.600 -0.161 0.000 2.086 29 M HA -0.381 4.043 4.480 -0.095 0.000 0.261 29 M C 2.253 178.519 176.300 -0.057 0.000 1.067 29 M CA 4.077 59.317 55.300 -0.100 0.000 1.116 29 M CB 0.059 32.618 32.600 -0.068 0.000 1.348 29 M HN -0.648 7.800 8.290 -0.167 -0.258 0.407 30 L N -0.883 120.304 121.223 -0.060 0.000 2.012 30 L HA -0.404 3.876 4.340 -0.100 0.000 0.210 30 L C 1.401 178.221 176.870 -0.082 0.000 1.073 30 L CA 3.522 58.291 54.840 -0.117 0.000 0.748 30 L CB -0.425 41.496 42.059 -0.230 0.000 0.891 30 L HN -0.550 7.669 8.230 -0.017 0.000 0.431 31 N N -1.244 117.263 118.700 -0.322 0.000 2.069 31 N HA -0.410 4.248 4.740 -0.138 0.000 0.191 31 N C 1.733 177.194 175.510 -0.081 0.000 1.031 31 N CA 3.165 56.050 53.050 -0.275 0.000 0.852 31 N CB -0.173 37.897 38.487 -0.695 0.000 1.018 31 N HN -0.099 7.957 8.380 -0.541 0.000 0.423 32 A N -0.596 122.163 122.820 -0.102 0.000 1.933 32 A HA -0.273 4.023 4.320 -0.040 0.000 0.218 32 A C 2.200 179.729 177.584 -0.093 0.000 1.175 32 A CA 3.030 55.033 52.037 -0.056 0.000 0.628 32 A CB -0.435 18.558 19.000 -0.012 0.000 0.814 32 A HN -0.637 7.428 8.150 -0.141 0.000 0.444 33 I N -1.435 119.073 120.570 -0.103 0.000 2.179 33 I HA -0.566 3.409 4.170 -0.325 0.000 0.242 33 I C 1.763 177.750 176.117 -0.216 0.000 1.088 33 I CA 4.352 65.526 61.300 -0.211 0.000 1.357 33 I CB -0.108 37.793 38.000 -0.166 0.000 1.051 33 I HN -0.572 7.595 8.210 -0.071 0.000 0.409 34 F N -0.392 119.431 119.950 -0.211 0.000 2.134 34 F HA -0.489 3.882 4.527 -0.259 0.000 0.299 34 F C 2.218 177.769 175.800 -0.414 0.000 1.097 34 F CA 4.795 62.637 58.000 -0.264 0.000 1.264 34 F CB -0.202 38.716 39.000 -0.136 0.000 1.001 34 F HN -0.395 8.044 8.300 0.232 0.000 0.479 35 E N -1.323 118.807 120.200 -0.115 0.000 2.110 35 E HA -0.464 3.708 4.350 -0.297 0.000 0.193 35 E C 2.271 178.760 176.600 -0.185 0.000 0.988 35 E CA 3.067 59.364 56.400 -0.172 0.000 0.804 35 E CB -0.349 29.333 29.700 -0.029 0.000 0.745 35 E HN -0.232 8.119 8.360 -0.015 0.000 0.458 36 A N -0.571 122.140 122.820 -0.181 0.000 1.877 36 A HA -0.236 3.996 4.320 -0.146 0.000 0.216 36 A C 1.898 179.363 177.584 -0.198 0.000 1.186 36 A CA 3.041 54.966 52.037 -0.186 0.000 0.620 36 A CB -0.701 18.153 19.000 -0.242 0.000 0.822 36 A HN -0.396 7.648 8.150 -0.177 0.000 0.443 37 G N -2.159 106.488 108.800 -0.255 0.000 2.422 37 G HA2 -0.433 3.419 3.960 -0.180 0.000 0.218 37 G HA3 -0.433 3.350 3.960 -0.294 0.000 0.218 37 G C 1.308 176.087 174.900 -0.201 0.000 1.146 37 G CA 1.872 46.830 45.100 -0.236 0.000 0.769 37 G HN -0.195 7.918 8.290 -0.295 0.000 0.547 38 N N 1.657 120.193 118.700 -0.273 0.000 2.142 38 N HA -0.201 4.495 4.740 -0.073 0.000 0.186 38 N C 2.716 178.191 175.510 -0.058 0.000 1.023 38 N CA 2.480 55.423 53.050 -0.178 0.000 0.852 38 N CB 0.191 38.440 38.487 -0.397 0.000 0.998 38 N HN -0.211 7.947 8.380 -0.355 0.009 0.424 39 E N -0.473 119.675 120.200 -0.088 0.000 2.107 39 E HA -0.150 4.184 4.350 -0.027 0.000 0.191 39 E C 1.589 178.160 176.600 -0.049 0.000 0.982 39 E CA 2.351 58.721 56.400 -0.050 0.000 0.809 39 E CB 0.301 29.969 29.700 -0.054 0.000 0.756 39 E HN -0.411 7.875 8.360 -0.125 0.000 0.459 40 E N -4.300 115.860 120.200 -0.068 0.000 2.489 40 E HA 0.054 4.370 4.350 -0.057 0.000 0.193 40 E C -0.818 175.749 176.600 -0.055 0.000 1.057 40 E CA -1.060 55.302 56.400 -0.063 0.000 0.866 40 E CB -0.100 29.555 29.700 -0.075 0.000 0.916 40 E HN -0.427 7.881 8.360 -0.087 0.000 0.500 41 N N -1.832 116.847 118.700 -0.036 0.000 2.688 41 N HA -0.428 4.327 4.740 0.026 0.000 0.258 41 N C -2.262 173.226 175.510 -0.037 0.000 1.016 41 N CA 1.467 54.511 53.050 -0.011 0.000 0.747 41 N CB -1.986 36.497 38.487 -0.007 0.000 0.895 41 N HN -0.219 7.977 8.380 -0.032 0.164 0.543 42 S N -1.377 114.290 115.700 -0.054 0.000 2.526 42 S HA 0.728 5.287 4.470 -0.061 -0.126 0.293 42 S C -2.494 172.075 174.600 -0.051 0.000 1.092 42 S CA -3.441 54.726 58.200 -0.056 0.000 0.980 42 S CB 2.612 65.782 63.200 -0.050 0.000 1.048 42 S HN -0.587 7.684 8.310 -0.066 0.000 0.483 43 P HA 0.049 4.549 4.420 -0.050 -0.110 0.272 43 P C -1.897 175.402 177.300 -0.001 0.000 1.240 43 P CA -0.125 62.971 63.100 -0.007 0.000 0.791 43 P CB 1.096 32.837 31.700 0.068 0.000 0.978 44 L N -2.953 118.238 121.223 -0.053 0.000 2.408 44 L HA 0.255 4.644 4.340 0.083 0.000 0.268 44 L C -1.229 175.642 176.870 0.002 0.000 0.986 44 L CA -0.900 53.922 54.840 -0.030 0.000 0.820 44 L CB 4.356 46.254 42.059 -0.267 0.000 1.303 44 L HN -0.186 7.987 8.230 -0.095 0.000 0.411 45 F N 2.408 122.312 119.950 -0.077 0.000 2.415 45 F HA 0.394 5.029 4.527 -0.058 -0.143 0.348 45 F C -1.112 174.683 175.800 -0.008 0.000 1.119 45 F CA -0.434 57.520 58.000 -0.078 0.000 1.069 45 F CB 2.673 41.569 39.000 -0.173 0.000 1.124 45 F HN -0.236 8.227 8.300 0.271 0.000 0.472 46 I N 5.147 125.781 120.570 0.107 0.000 2.354 46 I HA 0.541 4.994 4.170 0.221 -0.150 0.292 46 I C -2.416 173.903 176.117 0.336 0.000 0.989 46 I CA -2.670 58.734 61.300 0.172 0.000 1.188 46 I CB 3.327 41.330 38.000 0.006 0.000 1.342 46 I HN 0.679 8.885 8.210 -0.006 0.000 0.457 47 Q N 8.086 128.149 119.800 0.438 0.000 2.342 47 Q HA 0.869 5.726 4.340 0.519 -0.206 0.267 47 Q C -1.716 174.547 176.000 0.439 0.000 1.038 47 Q CA -2.280 53.800 55.803 0.462 0.000 0.832 47 Q CB 4.136 33.087 28.738 0.354 0.000 1.323 47 Q HN 0.203 8.735 8.270 0.438 0.000 0.448 48 A N 2.438 125.482 122.820 0.373 0.000 2.359 48 A HA 0.689 4.991 4.320 -0.030 0.000 0.303 48 A C -1.338 176.320 177.584 0.124 0.000 1.066 48 A CA -1.289 50.831 52.037 0.139 0.000 0.730 48 A CB 2.897 21.984 19.000 0.145 0.000 1.211 48 A HN 0.357 8.777 8.150 0.450 0.000 0.439 49 S N 4.459 120.183 115.700 0.040 0.000 2.624 49 S HA 0.322 5.037 4.470 0.076 -0.199 0.263 49 S C 1.201 175.801 174.600 0.001 0.000 1.287 49 S CA -1.378 56.845 58.200 0.039 0.000 0.990 49 S CB 1.682 64.891 63.200 0.015 0.000 0.950 49 S HN 0.245 8.551 8.310 -0.007 0.000 0.561 50 E N 2.267 122.465 120.200 -0.004 0.000 2.118 50 E HA -0.411 3.916 4.350 -0.037 0.000 0.195 50 E C 2.378 178.969 176.600 -0.015 0.000 0.992 50 E CA 3.528 59.914 56.400 -0.022 0.000 0.804 50 E CB -0.266 29.422 29.700 -0.021 0.000 0.741 50 E HN 0.479 8.847 8.360 0.013 0.000 0.458 51 G N -1.615 107.173 108.800 -0.021 0.000 2.418 51 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.217 51 G HA3 -0.253 3.686 3.960 -0.036 0.000 0.217 51 G C 0.848 175.744 174.900 -0.007 0.000 1.158 51 G CA 1.325 46.413 45.100 -0.019 0.000 0.771 51 G HN 0.063 8.338 8.290 -0.025 0.000 0.545 52 A N 1.823 124.617 122.820 -0.043 0.000 1.933 52 A HA -0.304 3.986 4.320 -0.050 0.000 0.218 52 A C 1.777 179.361 177.584 0.001 0.000 1.175 52 A CA 2.713 54.712 52.037 -0.062 0.000 0.628 52 A CB -0.373 18.516 19.000 -0.184 0.000 0.814 52 A HN -0.479 7.638 8.150 -0.054 0.000 0.444 53 I N -1.341 119.229 120.570 0.000 0.000 2.226 53 I HA -0.598 3.600 4.170 0.046 0.000 0.245 53 I C 1.668 177.810 176.117 0.041 0.000 1.100 53 I CA 4.141 65.461 61.300 0.034 0.000 1.374 53 I CB -0.297 37.720 38.000 0.028 0.000 1.057 53 I HN -0.264 7.941 8.210 -0.010 0.000 0.413 54 K N -0.183 120.242 120.400 0.041 0.000 2.057 54 K HA -0.375 3.960 4.320 0.025 0.000 0.207 54 K C 1.837 178.477 176.600 0.068 0.000 1.049 54 K CA 3.174 59.487 56.287 0.043 0.000 0.931 54 K CB -0.218 32.306 32.500 0.040 0.000 0.714 54 K HN -0.526 7.743 8.250 0.032 0.000 0.440 55 Y N -1.919 118.359 120.300 -0.037 0.000 2.163 55 Y HA -0.269 4.265 4.550 -0.027 0.000 0.288 55 Y C 1.290 177.174 175.900 -0.025 0.000 1.136 55 Y CA 2.624 60.703 58.100 -0.036 0.000 1.147 55 Y CB 0.656 39.083 38.460 -0.055 0.000 0.987 55 Y HN -0.554 7.770 8.280 0.205 0.080 0.509 56 M N -4.172 115.438 119.600 0.018 0.000 2.394 56 M HA -0.029 4.363 4.480 -0.146 0.000 0.266 56 M C 0.203 176.482 176.300 -0.035 0.000 1.098 56 M CA 1.652 56.926 55.300 -0.043 0.000 1.149 56 M CB 1.340 33.972 32.600 0.054 0.000 1.369 56 M HN -0.400 7.959 8.290 0.114 0.000 0.450 57 G N -1.686 107.113 108.800 -0.003 0.000 2.879 57 G HA2 -0.229 3.754 3.960 0.014 0.000 0.686 57 G HA3 -0.229 3.819 3.960 0.004 -0.086 0.686 57 G C -1.049 173.886 174.900 0.059 0.000 1.115 57 G CA -0.590 44.520 45.100 0.016 0.000 0.770 57 G HN -0.316 7.978 8.290 0.006 0.000 0.601 58 I N 1.795 122.410 120.570 0.075 0.000 2.493 58 I HA -0.342 3.936 4.170 0.180 0.000 0.254 58 I C 0.089 176.290 176.117 0.140 0.000 1.160 58 I CA 2.345 63.728 61.300 0.139 0.000 1.445 58 I CB -0.038 38.039 38.000 0.128 0.000 1.086 58 I HN 0.386 8.630 8.210 0.056 0.000 0.433 59 D N -1.865 118.587 120.400 0.087 0.000 2.144 59 D HA -0.284 4.402 4.640 0.076 0.000 0.199 59 D C 1.936 178.277 176.300 0.069 0.000 0.984 59 D CA 3.039 57.081 54.000 0.070 0.000 0.834 59 D CB -1.246 39.580 40.800 0.042 0.000 0.955 59 D HN 0.378 8.772 8.370 0.067 0.017 0.465 60 M N 0.518 120.160 119.600 0.070 0.000 2.236 60 M HA -0.150 4.368 4.480 0.063 0.000 0.266 60 M C 1.387 177.771 176.300 0.140 0.000 1.070 60 M CA 1.840 57.187 55.300 0.079 0.000 1.137 60 M CB -0.318 32.316 32.600 0.057 0.000 1.378 60 M HN -0.758 7.570 8.290 0.063 0.000 0.426 61 A N 0.343 123.265 122.820 0.171 0.000 1.865 61 A HA -0.227 4.330 4.320 0.395 0.000 0.217 61 A C 2.174 179.902 177.584 0.240 0.000 1.191 61 A CA 3.058 55.263 52.037 0.281 0.000 0.623 61 A CB -0.735 18.409 19.000 0.240 0.000 0.826 61 A HN -0.202 8.034 8.150 0.144 0.000 0.444 62 V N -2.898 117.085 119.914 0.115 0.000 2.453 62 V HA -0.499 3.565 4.120 -0.093 0.000 0.247 62 V C 1.901 177.999 176.094 0.007 0.000 1.048 62 V CA 3.727 66.024 62.300 -0.006 0.000 1.049 62 V CB -0.244 31.578 31.823 -0.002 0.000 0.672 62 V HN -0.387 7.886 8.190 0.139 0.000 0.457 63 G N -0.774 108.048 108.800 0.037 0.000 2.446 63 G HA2 -0.386 3.576 3.960 0.002 0.000 0.217 63 G HA3 -0.386 3.655 3.960 0.023 -0.067 0.217 63 G C 1.141 176.041 174.900 0.001 0.000 1.168 63 G CA 2.227 47.336 45.100 0.016 0.000 0.771 63 G HN -0.358 7.967 8.290 0.058 0.000 0.551 64 M N 1.371 120.992 119.600 0.035 0.000 2.117 64 M HA -0.414 4.069 4.480 0.003 0.000 0.262 64 M C 2.152 178.400 176.300 -0.087 0.000 1.065 64 M CA 3.994 59.305 55.300 0.017 0.000 1.114 64 M CB 0.049 32.720 32.600 0.120 0.000 1.361 64 M HN -0.316 8.020 8.290 0.076 0.000 0.408 65 V N 0.175 120.033 119.914 -0.093 0.000 2.295 65 V HA -0.617 3.352 4.120 -0.252 0.000 0.246 65 V C 1.669 177.678 176.094 -0.142 0.000 1.049 65 V CA 4.552 66.756 62.300 -0.160 0.000 1.024 65 V CB -0.576 31.179 31.823 -0.114 0.000 0.648 65 V HN -0.624 7.547 8.190 -0.031 0.000 0.447 66 K N -0.592 119.754 120.400 -0.089 0.000 2.097 66 K HA -0.341 3.944 4.320 -0.058 0.000 0.206 66 K C 2.719 179.260 176.600 -0.098 0.000 1.049 66 K CA 3.383 59.627 56.287 -0.071 0.000 0.933 66 K CB -0.273 32.200 32.500 -0.045 0.000 0.717 66 K HN -0.510 7.698 8.250 -0.070 0.000 0.442 67 I N 0.120 120.622 120.570 -0.114 0.000 2.315 67 I HA -0.480 3.629 4.170 -0.102 0.000 0.248 67 I C 2.069 178.064 176.117 -0.203 0.000 1.117 67 I CA 3.639 64.865 61.300 -0.125 0.000 1.404 67 I CB 0.013 37.955 38.000 -0.097 0.000 1.071 67 I HN -0.554 7.596 8.210 -0.101 0.000 0.419 68 M N -0.803 118.594 119.600 -0.339 0.000 2.175 68 M HA -0.344 3.861 4.480 -0.459 0.000 0.264 68 M C 2.255 178.283 176.300 -0.455 0.000 1.063 68 M CA 1.587 56.513 55.300 -0.623 0.000 1.119 68 M CB -1.446 30.294 32.600 -1.433 0.000 1.377 68 M HN -0.436 7.651 8.290 -0.338 0.000 0.415 69 C N -0.397 118.763 119.300 -0.234 0.000 2.425 69 C HA -0.375 4.209 4.460 0.205 0.000 0.277 69 C C 1.773 176.760 174.990 -0.005 0.000 1.280 69 C CA 4.598 63.636 59.018 0.033 0.000 1.744 69 C CB -0.945 26.826 27.740 0.052 0.000 1.989 69 C HN 0.032 8.119 8.230 -0.238 0.000 0.491 70 E N -1.328 118.831 120.200 -0.068 0.000 2.208 70 E HA -0.245 4.087 4.350 -0.030 0.000 0.193 70 E C 1.758 178.297 176.600 -0.102 0.000 0.988 70 E CA 2.072 58.434 56.400 -0.062 0.000 0.828 70 E CB -0.287 29.374 29.700 -0.065 0.000 0.763 70 E HN -0.652 7.651 8.360 -0.096 0.000 0.478 71 R N -1.700 118.683 120.500 -0.195 0.000 2.115 71 R HA -0.150 4.005 4.340 -0.309 0.000 0.226 71 R C 0.475 176.485 176.300 -0.482 0.000 1.100 71 R CA 2.212 58.080 56.100 -0.386 0.000 0.980 71 R CB 0.978 30.947 30.300 -0.552 0.000 0.875 71 R HN -0.759 7.267 8.270 -0.203 0.123 0.445 72 Y N -3.611 116.694 120.300 0.008 0.000 2.511 72 Y HA 0.469 5.075 4.550 0.093 0.000 0.356 72 Y C -1.726 174.103 175.900 -0.118 0.000 1.002 72 Y CA -3.386 54.705 58.100 -0.016 0.000 1.127 72 Y CB -0.280 38.169 38.460 -0.018 0.000 1.137 72 Y HN -0.587 7.693 8.280 -0.000 0.000 0.652 73 P HA -0.031 4.555 4.420 0.058 -0.130 0.222 73 P C -0.462 176.881 177.300 0.071 0.000 1.147 73 P CA 1.358 64.507 63.100 0.082 0.000 0.790 73 P CB 0.247 32.004 31.700 0.094 0.000 0.780 74 H N -6.334 112.801 119.070 0.109 0.000 2.548 74 H HA 0.028 4.619 4.556 0.058 0.000 0.268 74 H C -0.084 175.283 175.328 0.066 0.000 0.975 74 H CA -0.418 55.675 56.048 0.076 0.000 1.195 74 H CB -0.213 29.591 29.762 0.070 0.000 1.397 74 H HN -0.167 8.142 8.280 0.123 0.044 0.572 75 I N 3.812 124.175 120.570 -0.345 0.000 2.352 75 I HA 0.203 4.290 4.170 -0.139 0.000 0.290 75 I C -2.487 173.578 176.117 -0.088 0.000 1.036 75 I CA -2.395 58.782 61.300 -0.204 0.000 1.336 75 I CB -0.288 37.550 38.000 -0.271 0.000 1.407 75 I HN -0.740 7.150 8.210 -0.469 0.038 0.497 76 P HA 0.029 4.429 4.420 -0.033 0.000 0.271 76 P C -1.508 175.733 177.300 -0.099 0.000 1.233 76 P CA -0.313 62.759 63.100 -0.046 0.000 0.764 76 P CB 0.233 31.926 31.700 -0.011 0.000 0.825 77 V N 5.136 124.983 119.914 -0.111 0.000 2.577 77 V HA 0.658 4.858 4.120 -0.222 -0.213 0.303 77 V C -1.846 174.113 176.094 -0.225 0.000 1.042 77 V CA -1.919 60.276 62.300 -0.175 0.000 0.872 77 V CB 3.996 35.762 31.823 -0.096 0.000 0.998 77 V HN -0.000 8.142 8.190 -0.080 0.000 0.423 78 A N 7.081 129.643 122.820 -0.430 0.000 2.304 78 A HA 0.679 4.938 4.320 -0.323 -0.133 0.323 78 A C -2.610 174.763 177.584 -0.352 0.000 1.195 78 A CA -2.187 49.532 52.037 -0.530 0.000 0.826 78 A CB 2.923 21.209 19.000 -1.191 0.000 1.184 78 A HN 0.362 8.196 8.150 -0.526 0.000 0.496 79 L N 4.930 126.061 121.223 -0.153 0.000 2.265 79 L HA 0.666 5.161 4.340 -0.025 -0.170 0.289 79 L C -1.866 175.109 176.870 0.176 0.000 1.033 79 L CA -1.264 53.530 54.840 -0.076 0.000 0.814 79 L CB 2.052 43.943 42.059 -0.280 0.000 1.203 79 L HN -0.155 7.998 8.230 -0.129 0.000 0.423 80 H N 8.614 127.853 119.070 0.282 0.000 2.529 80 H HA 0.587 5.670 4.556 0.477 -0.241 0.348 80 H C -1.941 173.733 175.328 0.577 0.000 1.079 80 H CA -2.179 54.151 56.048 0.470 0.000 1.198 80 H CB 3.892 33.945 29.762 0.485 0.000 1.521 80 H HN 0.772 9.311 8.280 0.433 0.000 0.514 81 L N 8.074 129.298 121.223 0.002 0.000 2.325 81 L HA 0.353 4.858 4.340 0.018 -0.154 0.284 81 L C -1.920 174.782 176.870 -0.280 0.000 1.089 81 L CA -0.831 53.895 54.840 -0.190 0.000 0.836 81 L CB 1.110 42.881 42.059 -0.480 0.000 1.184 81 L HN 0.039 8.206 8.230 -0.105 0.000 0.444 82 D N 8.817 129.226 120.400 0.016 0.000 2.277 82 D HA 0.187 4.904 4.640 0.128 0.000 0.249 82 D C -0.362 176.015 176.300 0.129 0.000 1.134 82 D CA -1.024 53.047 54.000 0.119 0.000 0.863 82 D CB 0.626 41.565 40.800 0.231 0.000 1.143 82 D HN -0.135 8.295 8.370 0.099 0.000 0.458 83 H N 2.549 121.695 119.070 0.126 0.000 2.672 83 H HA -0.431 4.187 4.556 0.104 0.000 0.325 83 H C -0.714 174.624 175.328 0.017 0.000 1.158 83 H CA 1.200 57.298 56.048 0.083 0.000 1.134 83 H CB -2.700 27.107 29.762 0.075 0.000 1.553 83 H HN 0.043 8.248 8.280 -0.126 0.000 0.419 84 G N -2.533 106.293 108.800 0.045 0.000 2.365 84 G HA2 0.028 4.160 3.960 -0.020 0.000 0.249 84 G HA3 0.028 4.030 3.960 -0.050 -0.072 0.249 84 G C -0.748 174.186 174.900 0.057 0.000 1.288 84 G CA 0.036 45.134 45.100 -0.002 0.000 0.887 84 G HN -0.276 8.014 8.290 0.000 0.000 0.524 85 T N -0.883 113.704 114.554 0.055 0.000 3.001 85 T HA 0.328 4.761 4.350 0.138 0.000 0.251 85 T C 0.270 175.036 174.700 0.110 0.000 1.040 85 T CA -0.835 61.325 62.100 0.100 0.000 0.985 85 T CB 1.558 70.473 68.868 0.078 0.000 1.011 85 T HN 0.211 8.747 8.240 0.028 -0.280 0.509 86 T N -3.235 111.362 114.554 0.072 0.000 2.864 86 T HA 0.279 4.707 4.350 0.130 0.000 0.299 86 T C -0.380 174.372 174.700 0.087 0.000 1.166 86 T CA -2.297 59.862 62.100 0.098 0.000 1.007 86 T CB 2.938 71.858 68.868 0.087 0.000 1.219 86 T HN -0.893 7.368 8.240 0.036 0.000 0.506 87 F N 3.014 122.959 119.950 -0.007 0.000 2.161 87 F HA -0.379 4.130 4.527 -0.030 0.000 0.300 87 F C 0.781 176.564 175.800 -0.028 0.000 1.089 87 F CA 4.247 62.232 58.000 -0.024 0.000 1.282 87 F CB 0.245 39.228 39.000 -0.029 0.000 1.010 87 F HN 0.577 9.048 8.300 0.285 0.000 0.485 88 E N -0.805 119.434 120.200 0.065 0.000 2.106 88 E HA -0.339 3.973 4.350 -0.064 0.000 0.192 88 E C 2.650 179.167 176.600 -0.137 0.000 0.984 88 E CA 3.301 59.683 56.400 -0.029 0.000 0.806 88 E CB -0.757 28.982 29.700 0.065 0.000 0.750 88 E HN 0.365 8.821 8.360 0.177 0.011 0.458 89 S N 0.086 115.721 115.700 -0.108 0.000 2.368 89 S HA -0.242 4.155 4.470 -0.123 0.000 0.224 89 S C 1.941 176.411 174.600 -0.218 0.000 1.029 89 S CA 3.037 61.156 58.200 -0.134 0.000 0.988 89 S CB -0.052 63.094 63.200 -0.090 0.000 0.838 89 S HN -0.364 7.909 8.310 -0.062 0.000 0.462 90 C N 1.475 120.627 119.300 -0.247 0.000 2.429 90 C HA -0.396 3.900 4.460 -0.274 0.000 0.277 90 C C 1.244 176.033 174.990 -0.335 0.000 1.262 90 C CA 4.614 63.459 59.018 -0.288 0.000 1.733 90 C CB -0.486 27.098 27.740 -0.260 0.000 2.010 90 C HN -0.391 7.707 8.230 -0.220 0.000 0.483 91 E N 1.025 120.948 120.200 -0.461 0.000 2.110 91 E HA -0.357 3.761 4.350 -0.388 0.000 0.193 91 E C 2.044 178.513 176.600 -0.220 0.000 0.988 91 E CA 3.015 59.167 56.400 -0.413 0.000 0.804 91 E CB -0.287 29.080 29.700 -0.555 0.000 0.745 91 E HN -0.146 7.879 8.360 -0.558 0.000 0.458 92 K N -1.387 118.897 120.400 -0.193 0.000 2.057 92 K HA -0.279 3.990 4.320 -0.084 0.000 0.206 92 K C 2.374 178.903 176.600 -0.118 0.000 1.050 92 K CA 2.893 59.108 56.287 -0.121 0.000 0.935 92 K CB -0.141 32.297 32.500 -0.103 0.000 0.715 92 K HN -0.505 7.617 8.250 -0.214 0.000 0.439 93 A N -0.330 122.350 122.820 -0.233 0.000 1.902 93 A HA -0.220 3.901 4.320 -0.330 0.000 0.217 93 A C 2.017 179.579 177.584 -0.036 0.000 1.181 93 A CA 3.045 54.873 52.037 -0.349 0.000 0.623 93 A CB -0.848 17.672 19.000 -0.801 0.000 0.818 93 A HN -0.557 7.427 8.150 -0.277 0.000 0.443 94 V N -1.380 118.496 119.914 -0.064 0.000 2.287 94 V HA -0.545 3.620 4.120 0.075 0.000 0.248 94 V C 2.908 179.030 176.094 0.046 0.000 1.053 94 V CA 3.910 66.219 62.300 0.016 0.000 1.027 94 V CB -0.148 31.652 31.823 -0.039 0.000 0.646 94 V HN -0.257 7.852 8.190 -0.136 0.000 0.447 95 K N -1.083 119.324 120.400 0.012 0.000 2.211 95 K HA -0.258 4.080 4.320 0.029 0.000 0.203 95 K C 1.218 177.855 176.600 0.063 0.000 1.050 95 K CA 2.397 58.701 56.287 0.028 0.000 0.945 95 K CB -0.225 32.278 32.500 0.005 0.000 0.732 95 K HN -0.442 7.793 8.250 -0.025 0.000 0.451 96 A N -3.592 119.289 122.820 0.103 0.000 2.066 96 A HA -0.008 4.376 4.320 0.107 0.000 0.218 96 A C 0.371 178.056 177.584 0.168 0.000 1.157 96 A CA 1.076 53.204 52.037 0.152 0.000 0.670 96 A CB 0.543 19.679 19.000 0.227 0.000 0.804 96 A HN -0.425 7.672 8.150 0.097 0.111 0.453 97 G N -3.711 105.205 108.800 0.194 0.000 2.198 97 G HA2 -0.165 3.854 3.960 0.098 0.000 0.156 97 G HA3 -0.165 3.841 3.960 0.077 0.000 0.156 97 G C -0.369 174.609 174.900 0.130 0.000 1.012 97 G CA -0.569 44.606 45.100 0.124 0.000 0.692 97 G HN -0.652 7.766 8.290 0.214 0.000 0.492 98 F N 0.948 120.919 119.950 0.033 0.000 2.553 98 F HA -0.203 4.360 4.527 0.059 0.000 0.356 98 F C 0.566 176.391 175.800 0.041 0.000 1.142 98 F CA 1.526 59.553 58.000 0.044 0.000 1.322 98 F CB 0.655 39.675 39.000 0.033 0.000 1.126 98 F HN -0.630 8.052 8.300 0.637 0.000 0.599 99 T N -3.016 111.649 114.554 0.185 0.000 3.054 99 T HA 0.119 4.543 4.350 0.123 0.000 0.255 99 T C -0.223 174.592 174.700 0.192 0.000 1.035 99 T CA -0.356 61.822 62.100 0.130 0.000 0.941 99 T CB 0.845 69.737 68.868 0.039 0.000 1.026 99 T HN 0.270 8.601 8.240 0.151 0.000 0.533 100 S N 0.710 116.586 115.700 0.293 0.000 2.543 100 S HA 0.752 5.632 4.470 0.344 -0.203 0.271 100 S C -2.310 172.446 174.600 0.260 0.000 1.148 100 S CA -0.628 57.818 58.200 0.410 0.000 0.914 100 S CB 2.057 65.713 63.200 0.760 0.000 1.096 100 S HN -0.666 7.795 8.310 0.332 0.048 0.471 101 V N -0.203 119.776 119.914 0.109 0.000 2.841 101 V HA 0.485 4.417 4.120 -0.314 0.000 0.310 101 V C -2.587 173.454 176.094 -0.088 0.000 1.090 101 V CA -2.392 59.827 62.300 -0.134 0.000 0.930 101 V CB 3.808 35.555 31.823 -0.125 0.000 1.014 101 V HN 0.562 8.842 8.190 0.149 0.000 0.425 102 M N 5.651 125.136 119.600 -0.192 0.000 2.113 102 M HA 0.502 5.230 4.480 0.096 -0.191 0.352 102 M C -2.004 174.290 176.300 -0.011 0.000 1.170 102 M CA -0.936 54.370 55.300 0.009 0.000 1.053 102 M CB 2.565 35.219 32.600 0.089 0.000 1.601 102 M HN 0.247 8.321 8.290 -0.359 0.000 0.459 103 I N 7.844 128.428 120.570 0.024 0.000 2.306 103 I HA 0.232 4.561 4.170 0.033 -0.139 0.288 103 I C -2.810 173.355 176.117 0.079 0.000 1.036 103 I CA -1.673 59.652 61.300 0.042 0.000 1.221 103 I CB 1.347 39.371 38.000 0.039 0.000 1.385 103 I HN 0.399 8.631 8.210 0.036 0.000 0.472 104 D N 9.923 130.384 120.400 0.102 0.000 2.428 104 D HA 0.111 4.809 4.640 0.097 0.000 0.221 104 D C -1.633 174.765 176.300 0.162 0.000 1.123 104 D CA -1.055 53.025 54.000 0.134 0.000 0.869 104 D CB 1.133 42.067 40.800 0.223 0.000 1.032 104 D HN 0.317 8.750 8.370 0.105 0.000 0.506 105 A N 5.872 128.748 122.820 0.092 0.000 2.705 105 A HA 0.310 4.560 4.320 -0.117 0.000 0.294 105 A C 0.270 177.773 177.584 -0.135 0.000 1.039 105 A CA -0.789 51.240 52.037 -0.014 0.000 1.005 105 A CB -0.006 19.074 19.000 0.134 0.000 1.192 105 A HN 0.269 8.465 8.150 0.077 0.000 0.513 106 S N 1.466 117.145 115.700 -0.035 0.000 2.428 106 S HA -0.242 4.184 4.470 -0.074 0.000 0.230 106 S C 0.673 175.246 174.600 -0.046 0.000 1.014 106 S CA 2.290 60.465 58.200 -0.042 0.000 0.957 106 S CB 0.475 63.666 63.200 -0.015 0.000 0.784 106 S HN -0.587 8.027 8.310 0.067 -0.264 0.499 107 H N -2.251 116.762 119.070 -0.095 0.000 2.546 107 H HA 0.005 4.513 4.556 -0.080 0.000 0.277 107 H C -0.184 175.077 175.328 -0.112 0.000 1.004 107 H CA 0.344 56.317 56.048 -0.125 0.000 1.231 107 H CB -0.521 29.132 29.762 -0.182 0.000 1.382 107 H HN 0.199 8.513 8.280 0.088 0.019 0.580 108 H N 2.013 120.859 119.070 -0.374 0.000 2.546 108 H HA -0.030 4.434 4.556 -0.155 0.000 0.365 108 H C -0.754 174.527 175.328 -0.078 0.000 1.220 108 H CA -0.726 55.191 56.048 -0.219 0.000 1.386 108 H CB 1.221 30.825 29.762 -0.264 0.000 1.510 108 H HN -0.703 7.085 8.280 -0.563 0.155 0.591 109 A N 0.343 123.243 122.820 0.132 0.000 2.425 109 A HA -0.046 4.344 4.320 0.116 0.000 0.242 109 A C 0.553 178.213 177.584 0.128 0.000 1.077 109 A CA -0.053 52.053 52.037 0.114 0.000 0.781 109 A CB 0.902 19.959 19.000 0.095 0.000 1.020 109 A HN 0.078 8.317 8.150 0.148 0.000 0.494 110 F N 2.157 122.129 119.950 0.037 0.000 2.115 110 F HA -0.516 4.051 4.527 0.067 0.000 0.300 110 F C 1.466 177.323 175.800 0.095 0.000 1.092 110 F CA 4.237 62.276 58.000 0.065 0.000 1.245 110 F CB 0.331 39.364 39.000 0.056 0.000 0.995 110 F HN 0.712 9.197 8.300 0.310 0.000 0.481 111 E N -1.976 118.262 120.200 0.063 0.000 2.072 111 E HA -0.250 4.011 4.350 -0.148 0.000 0.190 111 E C 2.628 179.145 176.600 -0.138 0.000 0.982 111 E CA 3.246 59.614 56.400 -0.054 0.000 0.803 111 E CB -0.756 28.981 29.700 0.062 0.000 0.755 111 E HN 0.484 8.939 8.360 0.184 0.016 0.453 112 E N -0.127 120.008 120.200 -0.108 0.000 2.072 112 E HA -0.364 3.880 4.350 -0.177 0.000 0.191 112 E C 2.056 178.556 176.600 -0.166 0.000 0.985 112 E CA 2.657 58.951 56.400 -0.175 0.000 0.801 112 E CB -0.194 29.344 29.700 -0.269 0.000 0.750 112 E HN -0.577 7.746 8.360 -0.062 0.000 0.452 113 N N 0.123 118.768 118.700 -0.093 0.000 2.043 113 N HA -0.269 4.488 4.740 0.028 0.000 0.193 113 N C 1.916 177.434 175.510 0.013 0.000 1.037 113 N CA 2.972 56.026 53.050 0.006 0.000 0.851 113 N CB -0.149 38.360 38.487 0.037 0.000 1.027 113 N HN -0.489 7.846 8.380 -0.074 0.000 0.422 114 L N -0.364 120.780 121.223 -0.132 0.000 2.042 114 L HA -0.324 3.697 4.340 -0.533 0.000 0.210 114 L C 1.386 178.085 176.870 -0.284 0.000 1.076 114 L CA 3.477 58.097 54.840 -0.367 0.000 0.749 114 L CB -0.206 41.513 42.059 -0.568 0.000 0.893 114 L HN -0.400 7.680 8.230 -0.250 0.000 0.432 115 E N -0.783 119.293 120.200 -0.207 0.000 2.047 115 E HA -0.355 3.892 4.350 -0.172 0.000 0.191 115 E C 2.367 178.883 176.600 -0.141 0.000 0.987 115 E CA 3.175 59.475 56.400 -0.168 0.000 0.799 115 E CB 0.130 29.742 29.700 -0.147 0.000 0.752 115 E HN -0.561 7.598 8.360 -0.198 0.081 0.449 116 L N -0.779 120.374 121.223 -0.116 0.000 2.017 116 L HA -0.262 4.039 4.340 -0.065 0.000 0.208 116 L C 1.827 178.682 176.870 -0.024 0.000 1.073 116 L CA 3.021 57.825 54.840 -0.060 0.000 0.745 116 L CB -0.195 41.842 42.059 -0.036 0.000 0.894 116 L HN -0.176 7.980 8.230 -0.125 0.000 0.432 117 T N 2.138 116.668 114.554 -0.040 0.000 2.720 117 T HA -0.494 3.857 4.350 0.002 0.000 0.268 117 T C 1.871 176.499 174.700 -0.120 0.000 1.037 117 T CA 5.513 67.585 62.100 -0.046 0.000 1.144 117 T CB -0.289 68.561 68.868 -0.030 0.000 0.864 117 T HN 0.222 8.436 8.240 -0.042 0.000 0.444 118 S N 0.899 116.490 115.700 -0.181 0.000 2.399 118 S HA -0.230 4.108 4.470 -0.219 0.000 0.231 118 S C 1.471 175.998 174.600 -0.121 0.000 1.022 118 S CA 3.356 61.444 58.200 -0.188 0.000 0.983 118 S CB -0.533 62.547 63.200 -0.201 0.000 0.803 118 S HN -0.228 7.962 8.310 -0.200 0.000 0.480 119 K N 2.582 122.936 120.400 -0.078 0.000 2.025 119 K HA -0.233 4.048 4.320 -0.064 0.000 0.207 119 K C 2.180 178.859 176.600 0.132 0.000 1.049 119 K CA 3.205 59.472 56.287 -0.033 0.000 0.933 119 K CB -0.134 32.298 32.500 -0.113 0.000 0.714 119 K HN -0.765 7.421 8.250 -0.084 0.014 0.438 120 V N -0.193 119.819 119.914 0.163 0.000 2.343 120 V HA -0.535 3.720 4.120 0.224 0.000 0.247 120 V C 1.741 177.819 176.094 -0.028 0.000 1.051 120 V CA 4.333 66.710 62.300 0.127 0.000 1.036 120 V CB 0.031 31.881 31.823 0.044 0.000 0.654 120 V HN -0.483 7.777 8.190 0.116 0.000 0.451 121 V N 0.197 120.031 119.914 -0.133 0.000 2.295 121 V HA -0.584 3.302 4.120 -0.390 0.000 0.246 121 V C 1.605 177.503 176.094 -0.326 0.000 1.049 121 V CA 4.900 66.990 62.300 -0.349 0.000 1.024 121 V CB -0.500 31.060 31.823 -0.438 0.000 0.648 121 V HN -0.026 8.090 8.190 -0.122 0.000 0.447 122 K N -0.759 119.548 120.400 -0.155 0.000 2.063 122 K HA -0.396 3.879 4.320 -0.074 0.000 0.208 122 K C 2.290 178.898 176.600 0.014 0.000 1.048 122 K CA 3.541 59.790 56.287 -0.063 0.000 0.928 122 K CB -0.155 32.327 32.500 -0.031 0.000 0.713 122 K HN -0.537 7.639 8.250 -0.122 0.000 0.442 123 M N -0.855 118.782 119.600 0.063 0.000 2.067 123 M HA -0.291 4.249 4.480 0.101 0.000 0.260 123 M C 1.940 178.267 176.300 0.045 0.000 1.069 123 M CA 2.833 58.189 55.300 0.093 0.000 1.117 123 M CB -0.337 32.368 32.600 0.176 0.000 1.334 123 M HN -0.705 7.639 8.290 0.089 0.000 0.407 124 A N -1.371 121.457 122.820 0.013 0.000 1.898 124 A HA -0.375 3.965 4.320 0.033 0.000 0.216 124 A C 1.988 179.666 177.584 0.158 0.000 1.181 124 A CA 2.884 54.950 52.037 0.050 0.000 0.620 124 A CB -0.488 18.531 19.000 0.031 0.000 0.819 124 A HN 0.172 8.312 8.150 -0.017 0.000 0.442 125 H N -1.357 117.715 119.070 0.003 0.000 2.421 125 H HA -0.213 4.347 4.556 0.006 0.000 0.298 125 H C 3.332 178.666 175.328 0.011 0.000 1.087 125 H CA 2.261 58.311 56.048 0.005 0.000 1.330 125 H CB 0.035 29.795 29.762 -0.003 0.000 1.388 125 H HN 0.187 8.538 8.280 0.119 0.000 0.526 126 N N 0.386 119.170 118.700 0.140 0.000 2.223 126 N HA -0.189 4.596 4.740 0.075 0.000 0.185 126 N C 0.318 175.866 175.510 0.064 0.000 1.016 126 N CA 2.504 55.603 53.050 0.082 0.000 0.863 126 N CB -0.361 38.165 38.487 0.065 0.000 0.983 126 N HN -0.235 8.225 8.380 0.132 0.000 0.429 127 A N -3.728 119.133 122.820 0.068 0.000 2.275 127 A HA 0.227 4.573 4.320 0.044 0.000 0.212 127 A C 0.145 177.761 177.584 0.053 0.000 1.201 127 A CA -0.430 51.638 52.037 0.052 0.000 0.843 127 A CB 0.341 19.367 19.000 0.044 0.000 0.873 127 A HN -0.636 7.427 8.150 0.079 0.134 0.492 128 G N -1.103 107.732 108.800 0.057 0.000 2.182 128 G HA2 -0.276 3.694 3.960 0.016 0.000 0.248 128 G HA3 -0.276 3.703 3.960 0.030 0.000 0.248 128 G C -0.481 174.451 174.900 0.054 0.000 1.042 128 G CA 0.155 45.277 45.100 0.037 0.000 0.775 128 G HN -0.533 7.621 8.290 0.070 0.179 0.501 129 V N -0.581 119.386 119.914 0.090 0.000 2.555 129 V HA 0.033 4.216 4.120 0.106 0.000 0.302 129 V C -1.129 175.056 176.094 0.152 0.000 1.038 129 V CA -1.379 60.989 62.300 0.113 0.000 0.887 129 V CB 2.851 34.737 31.823 0.105 0.000 0.991 129 V HN -0.309 7.947 8.190 0.110 0.000 0.434 130 S N 4.821 120.614 115.700 0.155 0.000 2.617 130 S HA 0.261 4.946 4.470 0.128 -0.139 0.269 130 S C -0.972 173.664 174.600 0.060 0.000 1.292 130 S CA -0.628 57.650 58.200 0.130 0.000 1.010 130 S CB 1.142 64.472 63.200 0.216 0.000 0.944 130 S HN -0.267 8.146 8.310 0.172 0.000 0.536 131 V N 0.293 120.126 119.914 -0.135 0.000 2.709 131 V HA 0.626 4.934 4.120 -0.050 -0.218 0.308 131 V C -1.874 173.995 176.094 -0.375 0.000 1.062 131 V CA -1.654 60.554 62.300 -0.153 0.000 0.901 131 V CB 4.131 35.893 31.823 -0.102 0.000 1.003 131 V HN 0.204 8.531 8.190 -0.210 -0.264 0.425 132 E N 6.266 126.401 120.200 -0.109 0.000 2.195 132 E HA 0.887 5.424 4.350 -0.063 -0.225 0.271 132 E C -2.004 174.655 176.600 0.099 0.000 0.923 132 E CA -2.935 53.492 56.400 0.044 0.000 0.790 132 E CB 4.059 33.999 29.700 0.401 0.000 1.155 132 E HN 0.256 8.639 8.360 0.038 0.000 0.402 133 A N 2.961 125.861 122.820 0.133 0.000 2.483 133 A HA 0.809 5.373 4.320 0.118 -0.173 0.286 133 A C -2.505 175.120 177.584 0.068 0.000 1.207 133 A CA -2.080 50.044 52.037 0.145 0.000 0.764 133 A CB 4.322 23.510 19.000 0.313 0.000 1.341 133 A HN -0.114 8.122 8.150 0.143 0.000 0.428 134 E N -1.025 119.155 120.200 -0.034 0.000 2.308 134 E HA 0.575 5.019 4.350 -0.099 -0.154 0.275 134 E C -2.194 174.262 176.600 -0.240 0.000 0.890 134 E CA -1.159 55.170 56.400 -0.118 0.000 0.754 134 E CB 3.791 33.425 29.700 -0.111 0.000 1.207 134 E HN 0.239 8.583 8.360 -0.027 0.000 0.426 135 L N 3.623 124.702 121.223 -0.241 0.000 2.386 135 L HA 0.318 4.513 4.340 -0.242 0.000 0.271 135 L C -1.600 175.196 176.870 -0.123 0.000 0.993 135 L CA -1.229 53.470 54.840 -0.234 0.000 0.819 135 L CB 3.066 44.952 42.059 -0.289 0.000 1.294 135 L HN -0.235 7.883 8.230 -0.187 0.000 0.414 136 G N 1.009 109.758 108.800 -0.084 0.000 2.663 136 G HA2 -0.345 3.588 3.960 -0.044 0.000 0.686 136 G HA3 -0.345 3.578 3.960 -0.061 0.000 0.686 136 G C -2.847 172.021 174.900 -0.055 0.000 1.288 136 G CA -0.610 44.455 45.100 -0.058 0.000 0.836 136 G HN 0.056 8.300 8.290 -0.076 0.000 0.584 137 R N -0.256 120.216 120.500 -0.047 0.000 2.338 137 R HA 0.326 4.637 4.340 -0.047 0.000 0.317 137 R C -0.699 175.558 176.300 -0.071 0.000 0.968 137 R CA -1.311 54.760 56.100 -0.049 0.000 0.849 137 R CB 2.119 32.399 30.300 -0.033 0.000 1.128 137 R HN 0.069 8.313 8.270 -0.044 0.000 0.448 138 L N 8.760 129.923 121.223 -0.101 0.000 2.382 138 L HA -0.004 4.258 4.340 -0.129 0.000 0.259 138 L C -1.567 175.222 176.870 -0.134 0.000 1.291 138 L CA 0.208 54.960 54.840 -0.146 0.000 1.176 138 L CB -0.721 41.185 42.059 -0.255 0.000 1.373 138 L HN 0.514 8.684 8.230 -0.100 0.000 0.426 139 M N 1.868 121.411 119.600 -0.095 0.000 2.520 139 M HA 0.188 4.607 4.480 -0.102 0.000 0.283 139 M C -1.163 175.102 176.300 -0.058 0.000 1.237 139 M CA -1.590 53.661 55.300 -0.081 0.000 0.885 139 M CB 4.853 37.418 32.600 -0.058 0.000 1.727 139 M HN -0.397 7.812 8.290 -0.080 0.033 0.468 140 G N -0.371 108.396 108.800 -0.055 0.000 2.636 140 G HA2 0.075 4.272 3.960 0.023 0.000 0.246 140 G HA3 0.075 4.041 3.960 0.011 0.000 0.246 140 G C -0.480 174.444 174.900 0.040 0.000 1.216 140 G CA -0.542 44.562 45.100 0.006 0.000 0.854 140 G HN 0.202 8.449 8.290 -0.073 0.000 0.572 153 V N -0.197 119.706 119.914 -0.018 0.000 3.307 153 V HA 0.111 4.220 4.120 -0.018 0.000 0.244 153 V C -0.616 175.462 176.094 -0.028 0.000 1.196 153 V CA 0.375 62.663 62.300 -0.021 0.000 1.132 153 V CB 0.998 32.809 31.823 -0.021 0.000 0.875 153 V HN -0.184 7.995 8.190 -0.018 0.000 0.468 154 L N -2.528 118.677 121.223 -0.030 0.000 2.479 154 L HA 0.028 4.344 4.340 -0.041 0.000 0.249 154 L C 0.306 177.154 176.870 -0.038 0.000 1.178 154 L CA -1.181 53.637 54.840 -0.037 0.000 0.811 154 L CB 0.420 42.456 42.059 -0.038 0.000 1.187 154 L HN -0.718 7.496 8.230 -0.027 0.000 0.480 155 V N 0.163 120.051 119.914 -0.042 0.000 2.814 155 V HA -0.286 3.805 4.120 -0.048 0.000 0.307 155 V C -1.728 174.344 176.094 -0.036 0.000 1.089 155 V CA 0.793 63.067 62.300 -0.043 0.000 1.212 155 V CB 1.171 32.969 31.823 -0.041 0.000 0.912 155 V HN -0.180 7.983 8.190 -0.045 0.000 0.497 156 N N 8.429 127.106 118.700 -0.038 0.000 2.457 156 N HA 0.281 5.000 4.740 -0.035 0.000 0.250 156 N C -1.260 174.230 175.510 -0.032 0.000 0.982 156 N CA -3.172 49.854 53.050 -0.040 0.000 0.941 156 N CB 1.221 39.673 38.487 -0.059 0.000 1.120 156 N HN 0.247 8.603 8.380 -0.041 0.000 0.505 157 P HA -0.285 4.138 4.420 0.004 0.000 0.216 157 P C 0.894 178.194 177.300 -0.001 0.000 1.150 157 P CA 2.245 65.343 63.100 -0.004 0.000 0.843 157 P CB 0.387 32.087 31.700 -0.000 0.000 0.787 158 K N -4.016 116.371 120.400 -0.022 0.000 2.148 158 K HA -0.178 4.136 4.320 -0.009 0.000 0.204 158 K C 2.724 179.296 176.600 -0.046 0.000 1.050 158 K CA 2.009 58.279 56.287 -0.029 0.000 0.942 158 K CB -0.766 31.705 32.500 -0.048 0.000 0.724 158 K HN -0.500 7.829 8.250 -0.031 -0.098 0.446 159 E N -0.628 119.518 120.200 -0.089 0.000 2.110 159 E HA -0.304 3.865 4.350 -0.301 0.000 0.193 159 E C 2.248 178.931 176.600 0.137 0.000 0.988 159 E CA 2.989 59.307 56.400 -0.137 0.000 0.804 159 E CB -0.163 29.416 29.700 -0.200 0.000 0.745 159 E HN -0.640 7.882 8.360 -0.092 -0.216 0.458 160 A N -0.804 122.076 122.820 0.100 0.000 1.898 160 A HA -0.275 4.155 4.320 0.183 0.000 0.216 160 A C 1.704 179.407 177.584 0.199 0.000 1.181 160 A CA 3.263 55.390 52.037 0.149 0.000 0.620 160 A CB -0.981 18.057 19.000 0.064 0.000 0.819 160 A HN -0.375 7.708 8.150 0.041 0.092 0.442 161 E N -0.967 119.308 120.200 0.125 0.000 2.038 161 E HA -0.489 3.922 4.350 0.102 0.000 0.195 161 E C 1.890 178.573 176.600 0.139 0.000 1.000 161 E CA 3.281 59.745 56.400 0.107 0.000 0.803 161 E CB -0.221 29.517 29.700 0.062 0.000 0.750 161 E HN -0.475 7.937 8.360 0.087 0.000 0.448 162 Q N -1.295 118.602 119.800 0.163 0.000 2.123 162 Q HA -0.264 4.153 4.340 0.129 0.000 0.199 162 Q C 2.258 178.425 176.000 0.278 0.000 0.966 162 Q CA 2.677 58.594 55.803 0.189 0.000 0.845 162 Q CB 0.021 28.863 28.738 0.174 0.000 0.907 162 Q HN -0.818 7.538 8.270 0.142 0.000 0.439 163 F N 1.083 121.188 119.950 0.258 0.000 2.134 163 F HA -0.418 4.209 4.527 0.167 0.000 0.299 163 F C 1.582 177.424 175.800 0.069 0.000 1.097 163 F CA 3.795 61.912 58.000 0.194 0.000 1.264 163 F CB 0.233 39.376 39.000 0.239 0.000 1.001 163 F HN -0.210 8.429 8.300 0.565 0.000 0.479 164 V N -0.363 119.701 119.914 0.249 0.000 2.379 164 V HA -0.532 3.647 4.120 0.098 0.000 0.245 164 V C 2.146 178.251 176.094 0.019 0.000 1.044 164 V CA 3.718 66.091 62.300 0.122 0.000 1.036 164 V CB -0.079 31.837 31.823 0.155 0.000 0.664 164 V HN -0.113 8.273 8.190 0.326 0.000 0.453 165 K N -0.223 120.200 120.400 0.040 0.000 2.063 165 K HA -0.237 4.092 4.320 0.016 0.000 0.208 165 K C 2.066 178.650 176.600 -0.027 0.000 1.048 165 K CA 2.879 59.175 56.287 0.015 0.000 0.928 165 K CB -0.284 32.236 32.500 0.033 0.000 0.713 165 K HN -0.743 7.552 8.250 0.076 0.000 0.442 166 E N -2.259 117.906 120.200 -0.059 0.000 2.230 166 E HA -0.121 4.188 4.350 -0.068 0.000 0.192 166 E C 1.625 178.115 176.600 -0.182 0.000 0.987 166 E CA 1.785 58.125 56.400 -0.100 0.000 0.841 166 E CB 0.403 30.052 29.700 -0.084 0.000 0.783 166 E HN -0.470 7.862 8.360 -0.047 0.000 0.481 167 S N -1.661 113.868 115.700 -0.285 0.000 2.458 167 S HA -0.018 4.262 4.470 -0.317 0.000 0.223 167 S C 0.422 174.896 174.600 -0.210 0.000 1.019 167 S CA 1.181 59.177 58.200 -0.341 0.000 0.937 167 S CB 1.879 64.710 63.200 -0.615 0.000 0.788 167 S HN -0.568 7.558 8.310 -0.306 0.000 0.511 168 Q N -3.357 116.368 119.800 -0.125 0.000 2.481 168 Q HA -0.447 3.891 4.340 -0.003 0.000 0.258 168 Q C -1.017 174.976 176.000 -0.011 0.000 0.961 168 Q CA 1.122 56.906 55.803 -0.032 0.000 1.121 168 Q CB -2.779 25.964 28.738 0.009 0.000 1.503 168 Q HN -0.353 7.846 8.270 -0.117 0.000 0.544 169 V N -2.051 117.822 119.914 -0.068 0.000 2.901 169 V HA -0.331 3.735 4.120 -0.089 0.000 0.307 169 V C -0.342 175.747 176.094 -0.008 0.000 1.084 169 V CA 1.115 63.385 62.300 -0.050 0.000 1.184 169 V CB 0.475 32.297 31.823 -0.001 0.000 0.941 169 V HN -0.647 7.443 8.190 -0.107 0.035 0.493 170 D N 5.977 126.324 120.400 -0.088 0.000 2.183 170 D HA -0.099 4.548 4.640 0.012 0.000 0.205 170 D C -0.360 175.933 176.300 -0.012 0.000 0.962 170 D CA 2.752 56.695 54.000 -0.095 0.000 0.849 170 D CB 1.395 42.065 40.800 -0.218 0.000 0.978 170 D HN -0.133 8.142 8.370 -0.159 0.000 0.488 171 Y N -8.587 111.760 120.300 0.078 0.000 2.588 171 Y HA 0.477 5.143 4.550 0.012 -0.109 0.343 171 Y C -2.165 173.777 175.900 0.070 0.000 1.065 171 Y CA -2.459 55.664 58.100 0.038 0.000 1.038 171 Y CB 2.305 40.760 38.460 -0.007 0.000 1.297 171 Y HN -0.675 7.325 8.280 -0.467 0.000 0.467 172 L N 0.447 121.799 121.223 0.215 0.000 2.381 172 L HA 0.624 5.201 4.340 0.154 -0.144 0.268 172 L C -2.120 174.820 176.870 0.116 0.000 0.997 172 L CA -1.759 53.170 54.840 0.149 0.000 0.818 172 L CB 4.962 47.094 42.059 0.121 0.000 1.310 172 L HN -0.250 8.101 8.230 0.201 0.000 0.416 173 A N 3.966 126.840 122.820 0.090 0.000 2.412 173 A HA 0.845 5.427 4.320 0.110 -0.196 0.334 173 A C -3.009 174.581 177.584 0.010 0.000 1.419 173 A CA -3.892 48.199 52.037 0.090 0.000 0.930 173 A CB 0.346 19.432 19.000 0.144 0.000 1.149 173 A HN 0.511 8.703 8.150 0.069 0.000 0.515 174 P HA 0.296 4.690 4.420 -0.043 0.000 0.293 174 P C -1.526 175.760 177.300 -0.024 0.000 1.300 174 P CA -1.417 61.672 63.100 -0.019 0.000 0.792 174 P CB 0.596 32.294 31.700 -0.004 0.000 0.925 175 A N 4.143 126.934 122.820 -0.048 0.000 2.444 175 A HA 0.065 4.355 4.320 -0.050 0.000 0.273 175 A C -0.527 177.027 177.584 -0.050 0.000 1.136 175 A CA -0.019 51.987 52.037 -0.053 0.000 0.799 175 A CB 0.459 19.420 19.000 -0.064 0.000 1.081 175 A HN -0.180 7.935 8.150 -0.059 0.000 0.509 176 I N -1.590 118.948 120.570 -0.053 0.000 4.102 176 I HA 0.318 4.442 4.170 -0.076 0.000 0.325 176 I C -0.544 175.520 176.117 -0.088 0.000 1.471 176 I CA -1.415 59.837 61.300 -0.080 0.000 1.133 176 I CB 0.550 38.485 38.000 -0.107 0.000 1.184 176 I HN 0.159 8.342 8.210 -0.045 0.000 0.451 177 G N -1.015 107.759 108.800 -0.044 0.000 2.273 177 G HA2 -0.296 3.666 3.960 0.002 0.000 0.162 177 G HA3 -0.296 3.674 3.960 0.016 0.000 0.162 177 G C -0.499 174.430 174.900 0.047 0.000 1.006 177 G CA -0.287 44.816 45.100 0.006 0.000 0.704 177 G HN 0.166 8.430 8.290 -0.044 0.000 0.487 178 T N -2.602 111.954 114.554 0.004 0.000 2.788 178 T HA -0.029 4.291 4.350 -0.049 0.000 0.280 178 T C -1.662 172.955 174.700 -0.139 0.000 0.984 178 T CA -1.412 60.664 62.100 -0.040 0.000 0.972 178 T CB 1.468 70.342 68.868 0.010 0.000 1.039 178 T HN -0.555 7.680 8.240 -0.009 0.000 0.530 179 S N -2.125 113.458 115.700 -0.195 0.000 2.565 179 S HA 0.305 4.609 4.470 -0.276 0.000 0.269 179 S C -1.475 173.034 174.600 -0.152 0.000 1.153 179 S CA -1.294 56.773 58.200 -0.220 0.000 0.835 179 S CB 2.396 65.483 63.200 -0.189 0.000 1.122 179 S HN 0.042 8.232 8.310 -0.200 0.000 0.462 180 H N 1.752 120.804 119.070 -0.031 0.000 2.629 180 H HA 0.083 4.637 4.556 -0.003 0.000 0.357 180 H C 0.728 176.033 175.328 -0.038 0.000 1.121 180 H CA 1.244 57.281 56.048 -0.017 0.000 1.406 180 H CB 0.492 30.248 29.762 -0.009 0.000 1.456 180 H HN 0.424 8.572 8.280 -0.220 0.000 0.579 181 G N 1.239 110.096 108.800 0.095 0.000 2.566 181 G HA2 -0.218 3.732 3.960 -0.016 0.000 0.599 181 G HA3 -0.218 3.771 3.960 0.049 0.000 0.599 181 G C -1.163 173.660 174.900 -0.130 0.000 1.292 181 G CA -0.632 44.470 45.100 0.003 0.000 0.922 181 G HN 0.197 8.549 8.290 0.103 0.000 0.514 182 A N -0.069 122.553 122.820 -0.330 0.000 2.251 182 A HA 0.006 4.068 4.320 -0.430 0.000 0.209 182 A C -0.938 176.142 177.584 -0.841 0.000 1.187 182 A CA 0.786 52.423 52.037 -0.668 0.000 0.823 182 A CB 0.454 18.873 19.000 -0.969 0.000 0.846 182 A HN 0.326 8.295 8.150 -0.302 0.000 0.486 183 F N -5.312 114.596 119.950 -0.070 0.000 2.449 183 F HA 0.228 4.722 4.527 -0.055 0.000 0.329 183 F C -0.232 175.478 175.800 -0.151 0.000 1.245 183 F CA -0.907 57.048 58.000 -0.075 0.000 1.193 183 F CB -0.947 38.024 39.000 -0.049 0.000 1.425 183 F HN -0.514 7.671 8.300 -0.097 0.056 0.544 184 K N -0.970 119.323 120.400 -0.177 0.000 2.262 184 K HA 0.090 4.151 4.320 -0.432 0.000 0.200 184 K C -1.247 174.877 176.600 -0.793 0.000 1.049 184 K CA 1.299 57.241 56.287 -0.575 0.000 0.979 184 K CB 1.459 33.428 32.500 -0.886 0.000 0.773 184 K HN -0.322 7.826 8.250 -0.170 0.000 0.474 185 F N -3.509 116.470 119.950 0.047 0.000 2.557 185 F HA 0.135 4.682 4.527 0.033 0.000 0.316 185 F C -0.805 175.019 175.800 0.041 0.000 1.141 185 F CA -1.225 56.795 58.000 0.034 0.000 0.922 185 F CB 2.304 41.310 39.000 0.010 0.000 1.194 185 F HN -0.668 7.633 8.300 0.001 0.000 0.443 186 K N 6.219 126.743 120.400 0.206 0.000 2.231 186 K HA 0.147 4.540 4.320 0.121 0.000 0.275 186 K C 0.388 177.060 176.600 0.120 0.000 1.105 186 K CA -0.245 56.121 56.287 0.132 0.000 0.931 186 K CB -0.423 32.127 32.500 0.083 0.000 1.296 186 K HN 0.380 8.745 8.250 0.193 0.000 0.446 187 G N 2.879 111.739 108.800 0.101 0.000 2.526 187 G HA2 -0.201 3.781 3.960 0.037 0.000 0.250 187 G HA3 -0.201 3.788 3.960 0.049 0.000 0.250 187 G C -2.144 172.767 174.900 0.018 0.000 1.289 187 G CA -1.037 44.095 45.100 0.054 0.000 0.947 187 G HN -0.236 8.116 8.290 0.103 0.000 0.517 188 E N 1.752 121.933 120.200 -0.031 0.000 2.417 188 E HA 0.070 4.336 4.350 -0.140 0.000 0.261 188 E C -1.427 175.033 176.600 -0.234 0.000 1.000 188 E CA -1.458 54.874 56.400 -0.113 0.000 0.919 188 E CB 0.448 30.107 29.700 -0.068 0.000 0.955 188 E HN 0.021 8.371 8.360 -0.016 0.000 0.455 189 P HA -0.087 3.126 4.420 -2.012 0.000 0.265 189 P C -1.671 175.408 177.300 -0.368 0.000 1.187 189 P CA 0.571 62.964 63.100 -1.178 0.000 0.766 189 P CB 0.365 31.219 31.700 -1.410 0.000 0.820 190 K N 2.150 122.412 120.400 -0.229 0.000 2.535 190 K HA 0.244 4.677 4.320 0.188 0.000 0.251 190 K C -1.990 174.628 176.600 0.030 0.000 0.942 190 K CA -0.510 55.818 56.287 0.069 0.000 0.798 190 K CB 2.633 35.152 32.500 0.033 0.000 1.267 190 K HN 0.077 8.072 8.250 -0.426 0.000 0.434 191 L N 1.866 122.939 121.223 -0.250 0.000 2.333 191 L HA 0.367 4.664 4.340 -0.228 -0.093 0.263 191 L C -1.027 175.492 176.870 -0.586 0.000 1.014 191 L CA -1.563 52.993 54.840 -0.473 0.000 0.820 191 L CB 3.202 44.741 42.059 -0.865 0.000 1.352 191 L HN 0.018 8.021 8.230 -0.379 0.000 0.421 192 D N 1.870 122.011 120.400 -0.432 0.000 2.524 192 D HA 0.174 4.687 4.640 -0.212 0.000 0.222 192 D C 0.314 176.453 176.300 -0.268 0.000 1.142 192 D CA -1.597 52.241 54.000 -0.270 0.000 0.973 192 D CB -0.766 39.954 40.800 -0.135 0.000 1.025 192 D HN 0.055 8.212 8.370 -0.356 0.000 0.519 193 F N 2.483 122.375 119.950 -0.097 0.000 2.293 193 F HA -0.317 4.159 4.527 -0.085 0.000 0.300 193 F C 1.489 177.254 175.800 -0.057 0.000 1.086 193 F CA 2.932 60.876 58.000 -0.092 0.000 1.375 193 F CB 0.015 38.936 39.000 -0.132 0.000 1.045 193 F HN -0.455 7.696 8.300 -0.248 0.000 0.516 194 E N 0.246 120.505 120.200 0.099 0.000 2.072 194 E HA -0.303 4.084 4.350 0.063 0.000 0.191 194 E C 2.276 178.893 176.600 0.029 0.000 0.985 194 E CA 2.803 59.236 56.400 0.054 0.000 0.801 194 E CB -0.523 29.196 29.700 0.032 0.000 0.750 194 E HN -0.246 8.224 8.360 0.074 -0.065 0.452 195 R N -0.515 119.988 120.500 0.004 0.000 2.083 195 R HA -0.335 4.003 4.340 -0.003 0.000 0.237 195 R C 2.392 178.697 176.300 0.008 0.000 1.137 195 R CA 3.176 59.273 56.100 -0.006 0.000 0.951 195 R CB -0.091 30.191 30.300 -0.030 0.000 0.851 195 R HN -0.615 7.931 8.270 -0.010 -0.282 0.434 196 L N -1.022 120.212 121.223 0.018 0.000 1.989 196 L HA -0.382 3.974 4.340 0.027 0.000 0.211 196 L C 1.678 178.580 176.870 0.053 0.000 1.071 196 L CA 3.407 58.272 54.840 0.042 0.000 0.749 196 L CB -0.260 41.848 42.059 0.082 0.000 0.890 196 L HN -0.530 7.705 8.230 0.009 0.000 0.431 197 Q N -2.353 117.484 119.800 0.062 0.000 2.170 197 Q HA -0.365 4.005 4.340 0.050 0.000 0.203 197 Q C 2.788 178.810 176.000 0.037 0.000 0.976 197 Q CA 3.128 58.960 55.803 0.049 0.000 0.858 197 Q CB -0.132 28.632 28.738 0.044 0.000 0.907 197 Q HN -0.242 8.073 8.270 0.074 0.000 0.433 198 E N 0.505 120.723 120.200 0.030 0.000 2.072 198 E HA -0.224 4.141 4.350 0.024 0.000 0.190 198 E C 2.142 178.759 176.600 0.028 0.000 0.982 198 E CA 2.524 58.938 56.400 0.024 0.000 0.803 198 E CB -0.359 29.350 29.700 0.015 0.000 0.755 198 E HN -0.611 7.754 8.360 0.030 0.013 0.453 199 V N 0.255 120.186 119.914 0.028 0.000 2.332 199 V HA -0.566 3.574 4.120 0.033 0.000 0.248 199 V C 2.278 178.399 176.094 0.046 0.000 1.055 199 V CA 4.444 66.765 62.300 0.034 0.000 1.038 199 V CB -0.222 31.618 31.823 0.029 0.000 0.651 199 V HN -0.174 8.031 8.190 0.025 0.000 0.450 200 K N -0.457 119.973 120.400 0.050 0.000 2.057 200 K HA -0.238 4.124 4.320 0.070 0.000 0.207 200 K C 1.933 178.572 176.600 0.065 0.000 1.049 200 K CA 2.421 58.747 56.287 0.064 0.000 0.931 200 K CB -0.486 32.054 32.500 0.067 0.000 0.714 200 K HN -0.246 8.033 8.250 0.047 0.000 0.440 201 R N -1.658 118.872 120.500 0.050 0.000 2.092 201 R HA -0.211 4.158 4.340 0.049 0.000 0.231 201 R C 2.127 178.453 176.300 0.045 0.000 1.119 201 R CA 2.987 59.114 56.100 0.045 0.000 0.970 201 R CB -0.169 30.151 30.300 0.032 0.000 0.864 201 R HN -0.649 7.648 8.270 0.044 0.000 0.440 202 L N -4.938 116.311 121.223 0.043 0.000 2.209 202 L HA -0.045 4.318 4.340 0.038 0.000 0.207 202 L C 1.588 178.488 176.870 0.051 0.000 1.094 202 L CA 2.167 57.033 54.840 0.042 0.000 0.790 202 L CB 0.476 42.558 42.059 0.039 0.000 0.932 202 L HN -0.476 7.779 8.230 0.042 0.000 0.447 203 T N -6.810 107.778 114.554 0.056 0.000 3.033 203 T HA -0.075 4.312 4.350 0.062 0.000 0.248 203 T C 0.970 175.697 174.700 0.045 0.000 1.040 203 T CA 0.281 62.416 62.100 0.058 0.000 1.133 203 T CB 1.563 70.471 68.868 0.067 0.000 0.895 203 T HN -0.407 7.867 8.240 0.056 0.000 0.465 204 N N 1.403 120.137 118.700 0.058 0.000 2.721 204 N HA -0.426 4.456 4.740 0.149 -0.053 0.249 204 N C -1.587 173.886 175.510 -0.063 0.000 1.072 204 N CA 1.437 54.533 53.050 0.077 0.000 0.710 204 N CB -1.460 37.079 38.487 0.087 0.000 0.993 204 N HN -0.110 8.312 8.380 0.069 0.000 0.547 205 I N -9.121 111.379 120.570 -0.117 0.000 3.108 205 I HA 0.649 4.545 4.170 -0.457 0.000 0.312 205 I C -2.266 173.691 176.117 -0.266 0.000 1.095 205 I CA -3.852 57.291 61.300 -0.263 0.000 1.000 205 I CB 1.148 39.109 38.000 -0.066 0.000 1.229 205 I HN -0.969 7.197 8.210 -0.037 0.021 0.454 206 P HA 0.217 4.825 4.420 -0.052 -0.220 0.268 206 P C -1.064 176.240 177.300 0.006 0.000 1.205 206 P CA -0.156 62.892 63.100 -0.087 0.000 0.771 206 P CB 0.301 31.952 31.700 -0.082 0.000 0.858 207 L N 0.475 121.695 121.223 -0.004 0.000 2.322 207 L HA 0.807 5.354 4.340 0.051 -0.176 0.269 207 L C -0.433 176.412 176.870 -0.042 0.000 1.012 207 L CA -1.561 53.288 54.840 0.015 0.000 0.815 207 L CB 3.887 45.964 42.059 0.030 0.000 1.295 207 L HN -0.437 7.912 8.230 -0.009 -0.124 0.438 208 V N -1.083 118.826 119.914 -0.008 0.000 2.531 208 V HA 0.459 4.660 4.120 -0.156 -0.174 0.301 208 V C -1.542 174.562 176.094 0.017 0.000 1.034 208 V CA -1.427 60.838 62.300 -0.059 0.000 0.865 208 V CB 2.708 34.519 31.823 -0.020 0.000 0.995 208 V HN 0.218 8.431 8.190 0.038 0.000 0.424 209 L N 7.521 128.719 121.223 -0.042 0.000 2.262 209 L HA 0.471 4.853 4.340 0.071 0.000 0.288 209 L C -1.977 174.890 176.870 -0.004 0.000 1.035 209 L CA -1.816 53.035 54.840 0.020 0.000 0.820 209 L CB 2.163 44.231 42.059 0.014 0.000 1.204 209 L HN 0.433 8.597 8.230 -0.109 0.000 0.424 210 H N 5.587 124.661 119.070 0.006 0.000 2.509 210 H HA 0.076 4.690 4.556 0.096 0.000 0.359 210 H C 0.507 175.864 175.328 0.049 0.000 1.253 210 H CA 1.062 57.152 56.048 0.070 0.000 1.373 210 H CB 2.253 32.086 29.762 0.118 0.000 1.555 210 H HN 0.544 9.006 8.280 0.303 0.000 0.586 211 G N -1.675 107.285 108.800 0.268 0.000 2.323 211 G HA2 -0.472 3.664 3.960 0.293 0.000 0.292 211 G HA3 -0.472 3.645 3.960 0.065 -0.118 0.292 211 G C -0.994 173.963 174.900 0.096 0.000 1.040 211 G CA 0.639 45.846 45.100 0.179 0.000 0.942 211 G HN 0.761 9.304 8.290 0.422 0.000 0.506 212 A N -2.373 120.501 122.820 0.089 0.000 2.423 212 A HA 0.195 4.582 4.320 0.111 0.000 0.246 212 A C -0.996 176.646 177.584 0.098 0.000 1.278 212 A CA -0.837 51.252 52.037 0.087 0.000 0.903 212 A CB 0.647 19.676 19.000 0.048 0.000 0.997 212 A HN -0.668 7.531 8.150 0.082 0.000 0.510 213 S N -2.144 113.605 115.700 0.082 0.000 2.573 213 S HA -0.224 4.396 4.470 0.107 -0.086 0.277 213 S C -0.046 174.606 174.600 0.087 0.000 1.346 213 S CA 0.711 58.961 58.200 0.082 0.000 1.034 213 S CB 0.908 64.132 63.200 0.040 0.000 0.879 213 S HN -0.657 7.648 8.310 0.073 0.049 0.528 214 A N 3.095 125.976 122.820 0.103 0.000 2.229 214 A HA 0.373 4.974 4.320 0.056 -0.247 0.211 214 A C -0.358 177.197 177.584 -0.048 0.000 1.193 214 A CA -0.658 51.412 52.037 0.056 0.000 0.879 214 A CB 1.647 20.741 19.000 0.157 0.000 0.911 214 A HN 0.591 9.296 8.150 0.125 -0.480 0.492 215 I N -3.152 117.401 120.570 -0.028 0.000 6.390 215 I HA -0.399 3.817 4.170 -0.051 -0.077 0.126 215 I C -2.986 173.077 176.117 -0.089 0.000 1.533 215 I CA -0.906 60.354 61.300 -0.067 0.000 2.474 215 I CB -3.083 34.851 38.000 -0.110 0.000 2.913 215 I HN -0.177 8.443 8.210 0.001 -0.409 0.284 216 P HA 0.054 4.325 4.420 -0.249 0.000 0.267 216 P C 0.088 177.365 177.300 -0.039 0.000 1.200 216 P CA -0.232 62.830 63.100 -0.065 0.000 0.772 216 P CB 0.811 32.611 31.700 0.168 0.000 0.855 217 D N 1.872 122.237 120.400 -0.059 0.000 2.133 217 D HA -0.394 4.225 4.640 -0.034 0.000 0.195 217 D C 1.574 177.885 176.300 0.018 0.000 0.997 217 D CA 4.248 58.234 54.000 -0.024 0.000 0.840 217 D CB -0.217 40.569 40.800 -0.024 0.000 0.947 217 D HN 0.461 8.772 8.370 -0.097 0.000 0.452 218 N N -1.179 117.547 118.700 0.043 0.000 2.270 218 N HA -0.223 4.543 4.740 0.043 0.000 0.181 218 N C 2.171 177.717 175.510 0.059 0.000 1.016 218 N CA 2.862 55.943 53.050 0.051 0.000 0.870 218 N CB -1.005 37.519 38.487 0.060 0.000 0.979 218 N HN 0.444 8.858 8.380 0.056 0.000 0.431 219 V N 2.296 122.248 119.914 0.062 0.000 2.358 219 V HA -0.502 3.667 4.120 0.081 0.000 0.246 219 V C 1.573 177.713 176.094 0.077 0.000 1.047 219 V CA 3.900 66.242 62.300 0.069 0.000 1.035 219 V CB -0.173 31.685 31.823 0.058 0.000 0.658 219 V HN -0.960 7.267 8.190 0.062 0.000 0.452 220 R N -0.628 119.900 120.500 0.046 0.000 2.083 220 R HA -0.426 3.949 4.340 0.059 0.000 0.237 220 R C 1.662 178.023 176.300 0.100 0.000 1.137 220 R CA 3.857 59.991 56.100 0.058 0.000 0.951 220 R CB -0.280 30.030 30.300 0.017 0.000 0.851 220 R HN -0.164 8.122 8.270 0.027 0.000 0.434 221 K N -1.824 118.618 120.400 0.070 0.000 2.057 221 K HA -0.326 4.029 4.320 0.059 0.000 0.207 221 K C 2.049 178.693 176.600 0.074 0.000 1.049 221 K CA 3.538 59.862 56.287 0.062 0.000 0.931 221 K CB -0.301 32.224 32.500 0.041 0.000 0.714 221 K HN -0.228 8.054 8.250 0.054 0.000 0.440 222 S N -0.578 115.173 115.700 0.085 0.000 2.368 222 S HA -0.266 4.235 4.470 0.053 0.000 0.225 222 S C 1.958 176.624 174.600 0.109 0.000 1.030 222 S CA 2.930 61.179 58.200 0.082 0.000 0.999 222 S CB -0.436 62.816 63.200 0.085 0.000 0.844 222 S HN -0.545 7.815 8.310 0.084 0.000 0.459 223 Y N 3.018 123.334 120.300 0.026 0.000 2.163 223 Y HA -0.357 4.216 4.550 0.039 0.000 0.288 223 Y C 2.010 177.928 175.900 0.031 0.000 1.136 223 Y CA 3.854 61.974 58.100 0.033 0.000 1.147 223 Y CB 0.118 38.598 38.460 0.033 0.000 0.987 223 Y HN -0.573 7.870 8.280 0.272 0.000 0.509 224 L N -1.177 120.122 121.223 0.127 0.000 2.046 224 L HA -0.341 4.183 4.340 0.034 -0.163 0.208 224 L C 2.860 179.722 176.870 -0.014 0.000 1.077 224 L CA 2.611 57.480 54.840 0.049 0.000 0.747 224 L CB -0.434 41.673 42.059 0.080 0.000 0.896 224 L HN -0.202 8.140 8.230 0.186 0.000 0.432 225 D N -0.634 119.765 120.400 -0.002 0.000 2.263 225 D HA -0.174 4.459 4.640 -0.011 0.000 0.208 225 D C 0.831 177.104 176.300 -0.044 0.000 0.971 225 D CA 2.366 56.357 54.000 -0.015 0.000 0.867 225 D CB -0.494 40.305 40.800 -0.002 0.000 0.929 225 D HN 0.046 8.428 8.370 0.020 0.000 0.492 226 A N -3.112 119.659 122.820 -0.081 0.000 2.302 226 A HA 0.000 4.276 4.320 -0.074 0.000 0.219 226 A C -0.192 177.303 177.584 -0.148 0.000 1.243 226 A CA -0.279 51.692 52.037 -0.109 0.000 0.856 226 A CB -0.080 18.845 19.000 -0.125 0.000 0.893 226 A HN -0.764 7.205 8.150 -0.090 0.127 0.491 227 G N -2.628 106.091 108.800 -0.135 0.000 2.157 227 G HA2 -0.291 3.627 3.960 -0.071 0.000 0.239 227 G HA3 -0.291 3.614 3.960 -0.092 0.000 0.239 227 G C 0.239 175.041 174.900 -0.164 0.000 0.982 227 G CA -0.132 44.901 45.100 -0.112 0.000 0.650 227 G HN -0.327 7.713 8.290 -0.112 0.182 0.527 228 G N 0.165 108.752 108.800 -0.355 0.000 2.606 228 G HA2 -0.078 3.679 3.960 -0.339 0.000 0.252 228 G HA3 -0.078 3.138 3.960 -1.241 0.000 0.252 228 G C -1.740 173.168 174.900 0.014 0.000 1.206 228 G CA -0.709 44.108 45.100 -0.471 0.000 0.861 228 G HN -0.410 7.578 8.290 -0.432 0.042 0.561 229 D N -0.822 119.724 120.400 0.244 0.000 2.349 229 D HA 0.195 4.946 4.640 0.184 0.000 0.232 229 D C -0.776 175.724 176.300 0.333 0.000 1.071 229 D CA -0.822 53.324 54.000 0.244 0.000 0.832 229 D CB 0.546 41.449 40.800 0.171 0.000 1.086 229 D HN 0.141 8.697 8.370 0.311 0.000 0.504 230 L N 4.890 126.269 121.223 0.261 0.000 3.193 230 L HA 0.152 4.612 4.340 0.199 0.000 0.305 230 L C -1.144 175.845 176.870 0.199 0.000 1.299 230 L CA -0.989 53.965 54.840 0.191 0.000 0.904 230 L CB 0.855 42.971 42.059 0.095 0.000 1.331 230 L HN 0.394 8.759 8.230 0.225 0.000 0.588 231 K N 1.540 122.071 120.400 0.219 0.000 2.436 231 K HA -0.203 4.200 4.320 0.138 0.000 0.282 231 K C 0.553 177.302 176.600 0.248 0.000 1.044 231 K CA 1.936 58.328 56.287 0.175 0.000 1.028 231 K CB -0.296 32.274 32.500 0.116 0.000 0.919 231 K HN -0.397 8.245 8.250 0.214 -0.264 0.474 232 G N 5.358 114.273 108.800 0.193 0.000 2.199 232 G HA2 -0.351 3.697 3.960 0.146 0.000 0.254 232 G HA3 -0.351 3.738 3.960 0.214 0.000 0.254 232 G C -0.191 174.885 174.900 0.293 0.000 0.982 232 G CA -0.267 44.961 45.100 0.214 0.000 0.632 232 G HN 0.599 8.975 8.290 0.143 0.000 0.529 233 S N 1.606 117.444 115.700 0.230 0.000 2.560 233 S HA -0.071 4.452 4.470 -0.091 -0.107 0.284 233 S C -0.462 174.127 174.600 -0.019 0.000 1.327 233 S CA 0.158 58.323 58.200 -0.058 0.000 1.055 233 S CB 0.986 63.977 63.200 -0.348 0.000 0.868 233 S HN -0.646 7.734 8.310 0.213 0.058 0.506 234 K N 3.293 123.672 120.400 -0.035 0.000 2.550 234 K HA 0.281 4.603 4.320 0.003 0.000 0.252 234 K C -1.414 175.212 176.600 0.044 0.000 0.943 234 K CA -0.391 55.921 56.287 0.041 0.000 0.806 234 K CB 3.887 36.486 32.500 0.166 0.000 1.289 234 K HN -0.194 8.006 8.250 -0.083 0.000 0.435 235 G N 2.450 111.273 108.800 0.038 0.000 2.705 235 G HA2 0.599 4.577 3.960 0.029 0.000 0.299 235 G HA3 0.599 4.569 3.960 0.007 -0.005 0.299 235 G C -1.152 173.876 174.900 0.214 0.000 1.315 235 G CA -2.058 43.079 45.100 0.062 0.000 1.045 235 G HN -0.242 8.047 8.290 -0.002 0.000 0.517 236 V N 1.760 121.816 119.914 0.237 0.000 2.485 236 V HA -0.049 4.301 4.120 0.383 0.000 0.287 236 V C -1.247 174.877 176.094 0.051 0.000 1.022 236 V CA -1.388 61.073 62.300 0.269 0.000 1.067 236 V CB 0.056 32.062 31.823 0.305 0.000 0.967 236 V HN -0.047 8.251 8.190 0.180 0.000 0.479 237 P HA 0.008 4.235 4.420 -0.322 0.000 0.268 237 P C 0.059 177.386 177.300 0.044 0.000 1.208 237 P CA -0.127 62.819 63.100 -0.257 0.000 0.777 237 P CB 0.729 32.102 31.700 -0.545 0.000 0.875 238 F N 2.132 122.089 119.950 0.011 0.000 2.161 238 F HA -0.406 4.164 4.527 0.071 0.000 0.300 238 F C 1.881 177.741 175.800 0.099 0.000 1.089 238 F CA 3.271 61.305 58.000 0.056 0.000 1.282 238 F CB -0.753 38.267 39.000 0.033 0.000 1.010 238 F HN 0.452 8.646 8.300 -0.177 0.000 0.485 239 E N -1.016 119.358 120.200 0.289 0.000 2.110 239 E HA -0.227 4.408 4.350 0.205 -0.162 0.193 239 E C 2.564 179.393 176.600 0.382 0.000 0.988 239 E CA 3.247 59.806 56.400 0.264 0.000 0.804 239 E CB -0.854 28.979 29.700 0.221 0.000 0.745 239 E HN 0.441 8.918 8.360 0.215 0.012 0.458 240 F N -0.632 119.408 119.950 0.150 0.000 2.186 240 F HA -0.194 4.514 4.527 0.302 0.000 0.299 240 F C 2.074 178.022 175.800 0.247 0.000 1.090 240 F CA 1.584 59.738 58.000 0.257 0.000 1.307 240 F CB -0.492 38.669 39.000 0.269 0.000 1.019 240 F HN -0.657 7.877 8.300 0.544 0.092 0.489 241 L N -1.475 119.984 121.223 0.393 0.000 2.046 241 L HA -0.528 3.964 4.340 0.254 0.000 0.208 241 L C 2.174 179.147 176.870 0.171 0.000 1.077 241 L CA 3.502 58.497 54.840 0.259 0.000 0.747 241 L CB -0.897 41.302 42.059 0.233 0.000 0.896 241 L HN -0.557 7.915 8.230 0.402 0.000 0.432 242 Q N -1.420 118.469 119.800 0.148 0.000 2.061 242 Q HA -0.434 3.940 4.340 0.057 0.000 0.204 242 Q C 2.839 178.847 176.000 0.013 0.000 0.984 242 Q CA 3.495 59.340 55.803 0.070 0.000 0.846 242 Q CB -0.153 28.621 28.738 0.059 0.000 0.902 242 Q HN -0.362 8.019 8.270 0.185 0.000 0.421 243 E N -1.055 119.121 120.200 -0.039 0.000 2.118 243 E HA -0.306 3.887 4.350 -0.262 0.000 0.195 243 E C 2.780 179.289 176.600 -0.151 0.000 0.992 243 E CA 2.758 58.996 56.400 -0.270 0.000 0.804 243 E CB -0.564 28.690 29.700 -0.743 0.000 0.741 243 E HN -0.228 8.139 8.360 0.012 0.000 0.458 244 S N 0.581 116.346 115.700 0.108 0.000 2.356 244 S HA -0.253 4.396 4.470 0.298 0.000 0.223 244 S C 2.397 177.049 174.600 0.085 0.000 1.032 244 S CA 3.519 61.840 58.200 0.202 0.000 1.005 244 S CB -0.578 62.754 63.200 0.221 0.000 0.867 244 S HN -0.054 8.357 8.310 0.168 0.000 0.449 245 V N 2.000 121.946 119.914 0.053 0.000 2.343 245 V HA -0.413 3.917 4.120 0.020 -0.198 0.247 245 V C 2.668 178.765 176.094 0.005 0.000 1.051 245 V CA 3.716 66.031 62.300 0.026 0.000 1.036 245 V CB -0.290 31.553 31.823 0.033 0.000 0.654 245 V HN -0.445 7.783 8.190 0.063 0.000 0.451 246 K N -1.433 118.957 120.400 -0.016 0.000 2.103 246 K HA -0.276 4.026 4.320 -0.030 0.000 0.207 246 K C 2.014 178.596 176.600 -0.030 0.000 1.048 246 K CA 2.674 58.938 56.287 -0.039 0.000 0.930 246 K CB -0.306 32.146 32.500 -0.081 0.000 0.716 246 K HN -0.408 7.828 8.250 -0.023 0.000 0.444 247 G N -5.180 103.613 108.800 -0.011 0.000 2.572 247 G HA2 0.021 3.986 3.960 0.009 0.000 0.216 247 G HA3 0.021 4.019 3.960 0.063 0.000 0.216 247 G C -0.563 174.362 174.900 0.041 0.000 1.133 247 G CA 0.154 45.269 45.100 0.026 0.000 0.791 247 G HN -0.387 7.783 8.290 -0.006 0.116 0.538 248 G N -2.449 106.372 108.800 0.035 0.000 2.370 248 G HA2 -0.188 3.793 3.960 0.035 0.000 0.174 248 G HA3 -0.188 3.807 3.960 0.060 0.000 0.174 248 G C -0.832 174.091 174.900 0.039 0.000 1.002 248 G CA -0.537 44.590 45.100 0.044 0.000 0.730 248 G HN -0.679 7.524 8.290 0.028 0.104 0.497 249 I N 2.099 122.685 120.570 0.027 0.000 2.533 249 I HA -0.283 3.881 4.170 -0.009 0.000 0.284 249 I C -1.088 175.001 176.117 -0.047 0.000 1.109 249 I CA -0.041 61.257 61.300 -0.004 0.000 1.412 249 I CB -1.665 36.343 38.000 0.013 0.000 1.396 249 I HN -0.443 7.790 8.210 0.039 0.000 0.543 250 N N 6.153 124.790 118.700 -0.104 0.000 2.239 250 N HA 0.264 5.063 4.740 -0.146 -0.147 0.208 250 N C -0.818 174.535 175.510 -0.262 0.000 1.200 250 N CA 0.417 53.367 53.050 -0.167 0.000 0.895 250 N CB 3.362 41.749 38.487 -0.167 0.000 1.085 250 N HN 0.519 8.831 8.380 -0.114 0.000 0.500 251 K N 1.285 121.493 120.400 -0.319 0.000 2.397 251 K HA 0.661 4.876 4.320 -0.498 -0.195 0.253 251 K C -2.518 173.870 176.600 -0.354 0.000 0.932 251 K CA -1.250 54.751 56.287 -0.478 0.000 0.795 251 K CB 3.628 35.674 32.500 -0.757 0.000 1.159 251 K HN -0.594 7.497 8.250 -0.265 0.000 0.424 252 V N 7.077 126.776 119.914 -0.357 0.000 2.340 252 V HA 0.322 4.438 4.120 -0.207 -0.121 0.277 252 V C -1.429 174.465 176.094 -0.334 0.000 1.017 252 V CA -1.461 60.682 62.300 -0.262 0.000 0.820 252 V CB 1.216 32.940 31.823 -0.165 0.000 1.028 252 V HN 0.162 8.105 8.190 -0.411 0.000 0.436 253 N N 8.910 127.421 118.700 -0.314 0.000 2.468 253 N HA 0.116 4.816 4.740 -0.340 -0.164 0.265 253 N C -0.980 174.434 175.510 -0.159 0.000 1.199 253 N CA 0.741 53.615 53.050 -0.292 0.000 0.928 253 N CB 0.758 39.036 38.487 -0.349 0.000 1.059 253 N HN 0.289 8.486 8.380 -0.306 0.000 0.467 254 T N 4.721 119.184 114.554 -0.151 0.000 3.031 254 T HA 0.283 4.648 4.350 0.024 0.000 0.305 254 T C -2.283 172.473 174.700 0.093 0.000 0.985 254 T CA 0.171 62.267 62.100 -0.008 0.000 1.008 254 T CB 2.361 71.243 68.868 0.023 0.000 1.005 254 T HN 0.198 8.320 8.240 -0.196 0.000 0.444 255 D N 5.802 126.250 120.400 0.080 0.000 2.829 255 D HA 0.336 5.040 4.640 0.105 0.000 0.250 255 D C 0.762 177.086 176.300 0.040 0.000 1.304 255 D CA 1.469 55.510 54.000 0.069 0.000 1.197 255 D CB 1.279 42.092 40.800 0.022 0.000 1.501 255 D HN -0.164 8.245 8.370 0.064 0.000 0.424 256 T N 3.184 117.745 114.554 0.012 0.000 2.720 256 T HA -0.418 3.907 4.350 -0.042 0.000 0.268 256 T C 1.687 176.375 174.700 -0.020 0.000 1.037 256 T CA 5.172 67.256 62.100 -0.028 0.000 1.144 256 T CB -0.144 68.688 68.868 -0.061 0.000 0.864 256 T HN -0.348 7.901 8.240 0.015 0.000 0.444 257 D N 1.046 121.458 120.400 0.021 0.000 2.133 257 D HA -0.234 4.412 4.640 0.010 0.000 0.195 257 D C 2.171 178.507 176.300 0.059 0.000 0.997 257 D CA 3.354 57.379 54.000 0.041 0.000 0.840 257 D CB -0.415 40.444 40.800 0.097 0.000 0.947 257 D HN -0.576 7.817 8.370 0.039 0.000 0.452 258 L N -1.343 119.928 121.223 0.079 0.000 2.027 258 L HA -0.287 4.107 4.340 0.090 0.000 0.206 258 L C 1.928 178.854 176.870 0.093 0.000 1.074 258 L CA 3.110 58.001 54.840 0.085 0.000 0.745 258 L CB -0.518 41.590 42.059 0.082 0.000 0.898 258 L HN -0.628 7.646 8.230 0.089 0.009 0.433 259 R N -1.071 119.455 120.500 0.044 0.000 2.073 259 R HA -0.355 4.011 4.340 0.044 0.000 0.234 259 R C 2.735 179.092 176.300 0.095 0.000 1.134 259 R CA 3.619 59.745 56.100 0.044 0.000 0.952 259 R CB -0.223 30.065 30.300 -0.020 0.000 0.850 259 R HN -0.756 7.528 8.270 0.023 0.000 0.433 260 I N -0.923 119.648 120.570 0.002 0.000 2.226 260 I HA -0.467 3.615 4.170 -0.146 0.000 0.245 260 I C 1.655 177.838 176.117 0.110 0.000 1.100 260 I CA 3.721 64.975 61.300 -0.076 0.000 1.374 260 I CB -0.312 37.546 38.000 -0.237 0.000 1.057 260 I HN -0.283 7.911 8.210 -0.027 0.000 0.413 261 A N -0.221 122.672 122.820 0.122 0.000 1.902 261 A HA -0.303 4.101 4.320 0.141 0.000 0.217 261 A C 1.652 179.354 177.584 0.196 0.000 1.181 261 A CA 2.959 55.086 52.037 0.149 0.000 0.623 261 A CB -0.797 18.273 19.000 0.117 0.000 0.818 261 A HN -0.573 7.635 8.150 0.096 0.000 0.443 262 F N 0.263 120.266 119.950 0.088 0.000 2.051 262 F HA -0.295 4.296 4.527 0.107 0.000 0.296 262 F C 1.513 177.411 175.800 0.162 0.000 1.122 262 F CA 3.360 61.424 58.000 0.107 0.000 1.201 262 F CB 0.909 39.951 39.000 0.070 0.000 0.978 262 F HN -0.657 7.859 8.300 0.360 0.000 0.472 263 I N -2.296 118.543 120.570 0.447 0.000 2.493 263 I HA -0.490 3.919 4.170 0.398 0.000 0.254 263 I C 1.862 178.155 176.117 0.293 0.000 1.160 263 I CA 1.340 62.875 61.300 0.391 0.000 1.445 263 I CB -1.689 36.557 38.000 0.410 0.000 1.086 263 I HN -0.056 8.428 8.210 0.458 0.000 0.433 264 A N -0.034 122.984 122.820 0.331 0.000 1.908 264 A HA -0.381 4.024 4.320 0.142 0.000 0.218 264 A C 1.852 179.485 177.584 0.081 0.000 1.181 264 A CA 3.672 55.842 52.037 0.221 0.000 0.627 264 A CB -0.903 18.263 19.000 0.276 0.000 0.818 264 A HN -0.045 8.313 8.150 0.367 0.013 0.445 265 E N -1.978 118.252 120.200 0.050 0.000 2.106 265 E HA -0.263 4.079 4.350 -0.013 0.000 0.192 265 E C 2.484 179.088 176.600 0.007 0.000 0.984 265 E CA 2.235 58.626 56.400 -0.015 0.000 0.806 265 E CB -0.469 29.184 29.700 -0.079 0.000 0.750 265 E HN -0.658 7.734 8.360 0.054 0.000 0.458 266 V N 0.594 120.548 119.914 0.067 0.000 2.295 266 V HA -0.545 3.753 4.120 0.297 0.000 0.246 266 V C 1.944 178.168 176.094 0.217 0.000 1.049 266 V CA 4.664 67.101 62.300 0.229 0.000 1.024 266 V CB -0.314 31.698 31.823 0.316 0.000 0.648 266 V HN -0.658 7.485 8.190 0.049 0.076 0.447 267 R N -1.817 118.760 120.500 0.128 0.000 2.091 267 R HA -0.399 4.002 4.340 0.101 0.000 0.238 267 R C 2.139 178.457 176.300 0.029 0.000 1.136 267 R CA 3.842 59.983 56.100 0.067 0.000 0.959 267 R CB -0.427 29.853 30.300 -0.034 0.000 0.856 267 R HN -0.110 8.230 8.270 0.118 0.000 0.437 268 K N -0.125 120.273 120.400 -0.003 0.000 2.057 268 K HA -0.292 4.005 4.320 -0.038 0.000 0.207 268 K C 2.221 178.781 176.600 -0.067 0.000 1.049 268 K CA 3.289 59.554 56.287 -0.037 0.000 0.931 268 K CB -0.216 32.258 32.500 -0.043 0.000 0.714 268 K HN -0.581 7.671 8.250 0.003 0.000 0.440 269 V N -0.670 119.178 119.914 -0.110 0.000 2.295 269 V HA -0.506 3.450 4.120 -0.273 0.000 0.246 269 V C 1.590 177.550 176.094 -0.223 0.000 1.049 269 V CA 3.988 66.112 62.300 -0.292 0.000 1.024 269 V CB -0.065 31.375 31.823 -0.639 0.000 0.648 269 V HN -0.558 7.586 8.190 -0.076 0.000 0.447 270 A N -1.512 121.330 122.820 0.037 0.000 1.940 270 A HA -0.346 4.130 4.320 0.259 0.000 0.219 270 A C 2.375 179.996 177.584 0.062 0.000 1.176 270 A CA 3.124 55.273 52.037 0.188 0.000 0.631 270 A CB -0.592 18.574 19.000 0.276 0.000 0.814 270 A HN -0.180 8.054 8.150 0.140 0.000 0.446 271 N N -2.679 116.031 118.700 0.018 0.000 2.188 271 N HA -0.223 4.523 4.740 0.011 0.000 0.184 271 N C 1.671 177.168 175.510 -0.021 0.000 1.018 271 N CA 2.383 55.432 53.050 -0.002 0.000 0.858 271 N CB -0.184 38.293 38.487 -0.017 0.000 0.989 271 N HN -0.127 8.158 8.380 0.011 0.102 0.426 272 E N -3.123 117.047 120.200 -0.050 0.000 2.400 272 E HA 0.018 4.342 4.350 -0.045 0.000 0.195 272 E C -0.476 176.084 176.600 -0.067 0.000 1.012 272 E CA 0.986 57.350 56.400 -0.060 0.000 0.875 272 E CB 1.147 30.800 29.700 -0.078 0.000 0.859 272 E HN -0.604 7.716 8.360 -0.067 0.000 0.498 273 D N -0.826 119.528 120.400 -0.077 0.000 2.375 273 D HA 0.127 4.735 4.640 -0.053 0.000 0.241 273 D C -0.319 175.966 176.300 -0.026 0.000 1.361 273 D CA -0.940 53.018 54.000 -0.071 0.000 0.995 273 D CB 0.596 41.320 40.800 -0.126 0.000 1.312 273 D HN -0.663 7.658 8.370 -0.081 0.000 0.576 274 K N 4.593 125.000 120.400 0.010 0.000 2.365 274 K HA -0.071 4.294 4.320 0.075 0.000 0.199 274 K C 0.686 177.341 176.600 0.092 0.000 1.045 274 K CA 1.319 57.640 56.287 0.056 0.000 0.962 274 K CB -0.620 31.908 32.500 0.047 0.000 0.759 274 K HN 0.457 8.709 8.250 0.003 0.000 0.469 275 S N -2.029 113.704 115.700 0.055 0.000 2.575 275 S HA 0.015 4.586 4.470 0.168 0.000 0.215 275 S C -0.123 174.478 174.600 0.001 0.000 0.966 275 S CA -0.147 58.102 58.200 0.081 0.000 0.911 275 S CB 0.232 63.445 63.200 0.022 0.000 0.780 275 S HN -0.482 8.045 8.310 0.015 -0.209 0.514 276 Q N 3.026 122.818 119.800 -0.013 0.000 2.294 276 Q HA -0.033 4.115 4.340 -0.319 0.000 0.257 276 Q C -0.901 175.186 176.000 0.146 0.000 0.955 276 Q CA 0.117 55.839 55.803 -0.136 0.000 0.936 276 Q CB 0.190 28.785 28.738 -0.237 0.000 1.188 276 Q HN -0.895 7.329 8.270 0.024 0.061 0.420 277 F N 0.963 121.015 119.950 0.169 0.000 2.856 277 F HA 0.323 5.070 4.527 0.366 0.000 0.333 277 F C -1.389 174.503 175.800 0.153 0.000 1.200 277 F CA -2.228 55.900 58.000 0.214 0.000 1.128 277 F CB 0.659 39.718 39.000 0.098 0.000 1.172 277 F HN 0.022 7.884 8.300 -0.729 0.000 0.511 278 D N 3.588 124.028 120.400 0.065 0.000 2.338 278 D HA 0.003 4.713 4.640 0.117 0.000 0.255 278 D C 0.748 177.139 176.300 0.152 0.000 1.237 278 D CA -0.277 53.770 54.000 0.078 0.000 0.883 278 D CB 0.851 41.625 40.800 -0.044 0.000 1.087 278 D HN -0.473 8.119 8.370 -0.103 -0.283 0.485 279 L N 5.646 126.936 121.223 0.113 0.000 2.081 279 L HA -0.434 3.776 4.340 -0.216 0.000 0.212 279 L C 1.568 178.398 176.870 -0.066 0.000 1.080 279 L CA 3.176 57.993 54.840 -0.039 0.000 0.754 279 L CB 0.052 42.186 42.059 0.125 0.000 0.893 279 L HN 0.551 8.857 8.230 0.127 0.000 0.433 280 R N -2.637 117.910 120.500 0.078 0.000 2.120 280 R HA -0.399 4.057 4.340 0.192 0.000 0.234 280 R C 2.390 178.705 176.300 0.026 0.000 1.123 280 R CA 3.551 59.715 56.100 0.106 0.000 0.975 280 R CB -0.469 29.892 30.300 0.102 0.000 0.866 280 R HN -0.323 8.226 8.270 0.092 -0.224 0.446 281 K N -1.379 118.995 120.400 -0.043 0.000 2.211 281 K HA -0.212 4.034 4.320 -0.123 0.000 0.203 281 K C 1.591 178.033 176.600 -0.264 0.000 1.050 281 K CA 2.240 58.431 56.287 -0.160 0.000 0.945 281 K CB -0.591 31.762 32.500 -0.245 0.000 0.732 281 K HN -0.530 7.706 8.250 -0.024 0.000 0.451 282 F N -3.057 116.701 119.950 -0.321 0.000 2.187 282 F HA -0.225 4.148 4.527 -0.257 0.000 0.295 282 F C 1.702 177.358 175.800 -0.241 0.000 1.091 282 F CA 3.770 61.529 58.000 -0.402 0.000 1.308 282 F CB 0.340 38.866 39.000 -0.791 0.000 1.030 282 F HN -0.841 7.444 8.300 -0.007 0.010 0.487 283 F N -3.930 116.117 119.950 0.162 0.000 2.698 283 F HA 0.023 4.489 4.527 -0.103 0.000 0.295 283 F C 1.700 177.509 175.800 0.014 0.000 1.124 283 F CA -0.730 57.306 58.000 0.060 0.000 1.426 283 F CB -0.749 38.387 39.000 0.226 0.000 1.120 283 F HN -0.331 7.863 8.300 -0.029 0.089 0.583 284 S N 1.024 116.826 115.700 0.171 0.000 2.355 284 S HA -0.018 4.534 4.470 0.136 0.000 0.222 284 S C -0.799 173.820 174.600 0.033 0.000 1.031 284 S CA 5.164 63.426 58.200 0.103 0.000 0.993 284 S CB -2.650 60.592 63.200 0.070 0.000 0.859 284 S HN -0.136 8.255 8.310 0.135 0.000 0.453 285 P HA -0.066 4.336 4.420 -0.029 0.000 0.219 285 P C 0.473 177.725 177.300 -0.080 0.000 1.150 285 P CA 2.069 65.142 63.100 -0.045 0.000 0.814 285 P CB -0.640 31.017 31.700 -0.070 0.000 0.787 286 A N -1.821 120.895 122.820 -0.173 0.000 1.877 286 A HA -0.283 3.824 4.320 -0.355 0.000 0.216 286 A C 2.046 179.511 177.584 -0.198 0.000 1.186 286 A CA 3.032 54.796 52.037 -0.454 0.000 0.620 286 A CB -0.755 17.466 19.000 -1.298 0.000 0.822 286 A HN -0.643 7.422 8.150 -0.141 0.000 0.443 287 Q N -1.356 118.439 119.800 -0.008 0.000 2.096 287 Q HA -0.362 4.127 4.340 0.248 0.000 0.204 287 Q C 2.461 178.501 176.000 0.067 0.000 0.982 287 Q CA 3.118 59.002 55.803 0.135 0.000 0.850 287 Q CB -0.082 28.729 28.738 0.123 0.000 0.901 287 Q HN -0.285 7.985 8.270 -0.000 0.000 0.422 288 L N -0.489 120.752 121.223 0.029 0.000 2.017 288 L HA -0.316 4.034 4.340 0.016 0.000 0.208 288 L C 1.007 177.887 176.870 0.015 0.000 1.073 288 L CA 3.029 57.879 54.840 0.016 0.000 0.745 288 L CB -0.542 41.521 42.059 0.006 0.000 0.894 288 L HN -0.502 7.739 8.230 0.018 0.000 0.432 289 A N -1.269 121.561 122.820 0.017 0.000 1.902 289 A HA -0.356 3.979 4.320 0.025 0.000 0.217 289 A C 1.866 179.482 177.584 0.052 0.000 1.181 289 A CA 3.154 55.210 52.037 0.032 0.000 0.623 289 A CB -0.785 18.236 19.000 0.034 0.000 0.818 289 A HN -0.483 7.669 8.150 0.004 0.000 0.443 290 L N -1.098 120.180 121.223 0.091 0.000 1.994 290 L HA -0.460 3.935 4.340 0.092 0.000 0.208 290 L C 1.567 178.434 176.870 -0.005 0.000 1.071 290 L CA 3.026 57.921 54.840 0.092 0.000 0.745 290 L CB -0.157 42.019 42.059 0.195 0.000 0.892 290 L HN -0.415 7.883 8.230 0.113 0.000 0.431 291 K N -1.148 119.244 120.400 -0.014 0.000 2.074 291 K HA -0.465 3.785 4.320 -0.117 0.000 0.209 291 K C 2.188 178.742 176.600 -0.077 0.000 1.048 291 K CA 3.459 59.704 56.287 -0.070 0.000 0.926 291 K CB -0.321 32.153 32.500 -0.043 0.000 0.713 291 K HN 0.149 8.409 8.250 0.016 0.000 0.444 292 N N -1.437 117.242 118.700 -0.036 0.000 2.166 292 N HA -0.213 4.503 4.740 -0.040 0.000 0.186 292 N C 2.393 177.885 175.510 -0.030 0.000 1.019 292 N CA 2.746 55.779 53.050 -0.029 0.000 0.856 292 N CB -0.322 38.162 38.487 -0.005 0.000 0.993 292 N HN -0.479 7.891 8.380 -0.016 0.000 0.426 293 V N 0.851 120.756 119.914 -0.016 0.000 2.343 293 V HA -0.478 3.661 4.120 0.031 0.000 0.247 293 V C 1.510 177.577 176.094 -0.045 0.000 1.051 293 V CA 4.501 66.805 62.300 0.006 0.000 1.036 293 V CB -0.041 31.807 31.823 0.042 0.000 0.654 293 V HN -0.579 7.606 8.190 -0.007 0.000 0.451 294 V N 0.242 120.059 119.914 -0.161 0.000 2.295 294 V HA -0.617 3.277 4.120 -0.376 0.000 0.246 294 V C 1.685 177.656 176.094 -0.206 0.000 1.049 294 V CA 4.732 66.816 62.300 -0.360 0.000 1.024 294 V CB -0.435 30.986 31.823 -0.669 0.000 0.648 294 V HN -0.467 7.624 8.190 -0.165 0.000 0.447 295 K N -0.375 119.933 120.400 -0.153 0.000 2.009 295 K HA -0.365 3.888 4.320 -0.112 0.000 0.210 295 K C 2.627 179.181 176.600 -0.077 0.000 1.049 295 K CA 3.719 59.943 56.287 -0.105 0.000 0.929 295 K CB -0.254 32.195 32.500 -0.085 0.000 0.714 295 K HN -0.131 8.030 8.250 -0.148 0.000 0.440 296 E N -1.854 118.304 120.200 -0.071 0.000 2.110 296 E HA -0.301 3.990 4.350 -0.098 0.000 0.193 296 E C 2.724 179.257 176.600 -0.112 0.000 0.988 296 E CA 2.720 59.064 56.400 -0.094 0.000 0.804 296 E CB -0.391 29.256 29.700 -0.088 0.000 0.745 296 E HN -0.481 7.840 8.360 -0.064 0.000 0.458 297 R N -0.300 120.175 120.500 -0.042 0.000 2.092 297 R HA -0.176 4.131 4.340 -0.054 0.000 0.231 297 R C 2.463 178.791 176.300 0.047 0.000 1.119 297 R CA 2.061 58.175 56.100 0.023 0.000 0.970 297 R CB -0.541 29.877 30.300 0.197 0.000 0.864 297 R HN -0.480 7.779 8.270 -0.019 0.000 0.440 298 M N -0.601 119.031 119.600 0.053 0.000 2.159 298 M HA -0.372 4.161 4.480 0.089 0.000 0.263 298 M C 2.168 178.455 176.300 -0.022 0.000 1.063 298 M CA 4.179 59.504 55.300 0.042 0.000 1.110 298 M CB -0.064 32.542 32.600 0.010 0.000 1.374 298 M HN -0.214 8.094 8.290 0.030 0.000 0.411 299 K N -1.458 118.910 120.400 -0.054 0.000 2.057 299 K HA -0.343 3.934 4.320 -0.071 0.000 0.206 299 K C 2.772 179.325 176.600 -0.079 0.000 1.050 299 K CA 3.085 59.328 56.287 -0.073 0.000 0.935 299 K CB -0.126 32.324 32.500 -0.084 0.000 0.715 299 K HN -0.680 7.535 8.250 -0.059 0.000 0.439 300 L N -0.709 120.451 121.223 -0.105 0.000 2.046 300 L HA -0.283 3.983 4.340 -0.124 0.000 0.208 300 L C 1.203 178.047 176.870 -0.044 0.000 1.077 300 L CA 2.773 57.542 54.840 -0.119 0.000 0.747 300 L CB 0.078 42.002 42.059 -0.225 0.000 0.896 300 L HN -0.560 7.599 8.230 -0.119 0.000 0.432 301 L N -6.571 114.645 121.223 -0.012 0.000 2.395 301 L HA -0.126 4.233 4.340 0.033 0.000 0.218 301 L C 0.562 177.463 176.870 0.052 0.000 1.130 301 L CA 0.765 55.623 54.840 0.030 0.000 0.826 301 L CB 0.279 42.365 42.059 0.044 0.000 0.941 301 L HN -0.320 7.903 8.230 -0.012 0.000 0.451 302 G N -2.963 105.838 108.800 0.001 0.000 2.131 302 G HA2 -0.400 3.517 3.960 -0.071 0.000 0.223 302 G HA3 -0.400 3.560 3.960 0.001 0.000 0.223 302 G C -0.157 174.630 174.900 -0.188 0.000 0.990 302 G CA 0.548 45.620 45.100 -0.045 0.000 0.671 302 G HN -0.451 7.699 8.290 -0.021 0.128 0.521 303 S N -1.210 114.411 115.700 -0.131 0.000 2.548 303 S HA -0.045 4.056 4.470 -0.615 0.000 0.215 303 S C 0.314 174.781 174.600 -0.221 0.000 0.976 303 S CA -0.400 57.651 58.200 -0.249 0.000 0.908 303 S CB 0.541 63.750 63.200 0.016 0.000 0.781 303 S HN -0.303 7.981 8.310 -0.044 0.000 0.519 304 A N 2.143 124.871 122.820 -0.153 0.000 2.511 304 A HA -0.259 4.131 4.320 -0.101 -0.130 0.242 304 A C 0.010 177.505 177.584 -0.148 0.000 1.069 304 A CA 0.990 52.954 52.037 -0.121 0.000 0.763 304 A CB -0.247 18.698 19.000 -0.092 0.000 1.001 304 A HN -0.875 7.161 8.150 -0.128 0.037 0.498 305 N N 0.283 118.917 118.700 -0.111 0.000 2.776 305 N HA -0.308 4.428 4.740 -0.068 -0.038 0.250 305 N C -0.209 175.225 175.510 -0.126 0.000 1.112 305 N CA 2.039 55.032 53.050 -0.096 0.000 0.733 305 N CB -1.726 36.710 38.487 -0.084 0.000 1.097 305 N HN 0.237 8.474 8.380 -0.090 0.089 0.558 306 K N -4.883 115.416 120.400 -0.168 0.000 2.358 306 K HA 0.196 4.408 4.320 -0.180 0.000 0.197 306 K C -0.045 176.521 176.600 -0.057 0.000 1.025 306 K CA -1.524 54.647 56.287 -0.194 0.000 1.104 306 K CB 0.541 32.754 32.500 -0.479 0.000 0.855 306 K HN -0.586 7.541 8.250 -0.164 0.025 0.531 307 I N 0.000 120.554 120.570 -0.026 0.000 2.984 307 I HA 0.000 4.189 4.170 0.031 0.000 0.288 307 I CA 0.000 61.313 61.300 0.021 0.000 1.566 307 I CB 0.000 38.030 38.000 0.050 0.000 1.214 307 I HN 0.000 8.188 8.210 -0.036 0.000 0.494