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_e 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 4.507 4.480 0.046 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 L N 2.528 123.755 121.223 0.007 0.000 2.500 2 L HA 0.335 4.854 4.340 -0.033 -0.200 0.272 2 L C -0.255 176.602 176.870 -0.022 0.000 1.149 2 L CA 0.221 55.051 54.840 -0.017 0.000 0.897 2 L CB -0.428 41.623 42.059 -0.014 0.000 1.178 2 L HN -0.004 8.234 8.230 0.014 0.000 0.473 3 V N 1.127 121.013 119.914 -0.046 0.000 3.102 3 V HA 0.528 4.642 4.120 -0.009 0.000 0.312 3 V C -1.739 174.335 176.094 -0.034 0.000 1.135 3 V CA -3.222 59.061 62.300 -0.028 0.000 1.022 3 V CB 3.801 35.611 31.823 -0.022 0.000 1.056 3 V HN 0.561 8.705 8.190 -0.076 0.000 0.436 4 K N -0.384 120.022 120.400 0.010 0.000 2.485 4 K HA -0.099 4.407 4.320 0.063 -0.148 0.277 4 K C 1.714 178.353 176.600 0.065 0.000 0.990 4 K CA 0.405 56.723 56.287 0.052 0.000 0.994 4 K CB -0.600 31.940 32.500 0.067 0.000 0.906 4 K HN 0.353 8.614 8.250 0.017 0.000 0.488 5 G N 3.183 112.073 108.800 0.150 0.000 2.450 5 G HA2 -0.394 3.537 3.960 -0.048 0.000 0.220 5 G HA3 -0.394 3.908 3.960 0.570 0.000 0.220 5 G C 0.775 175.893 174.900 0.364 0.000 1.130 5 G CA 2.102 47.370 45.100 0.281 0.000 0.760 5 G HN 0.402 8.811 8.290 0.198 0.000 0.557 6 N N 0.566 119.477 118.700 0.352 0.000 2.331 6 N HA -0.192 4.756 4.740 0.347 0.000 0.180 6 N C 1.473 177.070 175.510 0.144 0.000 1.019 6 N CA 2.347 55.571 53.050 0.291 0.000 0.881 6 N CB 0.147 38.779 38.487 0.241 0.000 0.972 6 N HN -0.432 8.115 8.380 0.319 0.024 0.435 7 E N 0.557 120.822 120.200 0.108 0.000 2.077 7 E HA -0.292 4.095 4.350 0.062 0.000 0.193 7 E C 2.361 179.001 176.600 0.067 0.000 0.989 7 E CA 3.389 59.829 56.400 0.068 0.000 0.800 7 E CB -0.029 29.697 29.700 0.044 0.000 0.746 7 E HN -0.498 7.803 8.360 0.109 0.125 0.452 8 I N -1.863 118.756 120.570 0.081 0.000 2.233 8 I HA -0.415 3.807 4.170 0.087 0.000 0.243 8 I C 1.772 177.927 176.117 0.062 0.000 1.093 8 I CA 3.310 64.670 61.300 0.100 0.000 1.380 8 I CB 0.136 38.226 38.000 0.150 0.000 1.067 8 I HN -0.794 7.467 8.210 0.085 0.000 0.413 9 L N -1.660 119.583 121.223 0.034 0.000 2.240 9 L HA -0.244 4.001 4.340 -0.157 0.000 0.211 9 L C 2.449 179.281 176.870 -0.064 0.000 1.106 9 L CA 2.337 57.106 54.840 -0.118 0.000 0.793 9 L CB -0.455 41.389 42.059 -0.360 0.000 0.927 9 L HN -0.519 7.759 8.230 0.080 0.000 0.446 10 L N -1.601 119.630 121.223 0.013 0.000 2.083 10 L HA -0.455 3.942 4.340 0.094 0.000 0.209 10 L C 2.026 178.919 176.870 0.038 0.000 1.083 10 L CA 3.880 58.758 54.840 0.062 0.000 0.752 10 L CB -0.520 41.583 42.059 0.073 0.000 0.899 10 L HN -0.040 8.212 8.230 0.037 0.000 0.433 11 K N -0.827 119.571 120.400 -0.003 0.000 2.057 11 K HA -0.370 3.949 4.320 -0.001 0.000 0.206 11 K C 1.745 178.220 176.600 -0.210 0.000 1.050 11 K CA 3.040 59.313 56.287 -0.025 0.000 0.935 11 K CB -0.328 32.206 32.500 0.055 0.000 0.715 11 K HN -0.465 7.791 8.250 0.009 0.000 0.439 12 A N -1.847 120.723 122.820 -0.417 0.000 1.902 12 A HA -0.334 2.771 4.320 -2.025 0.000 0.217 12 A C 1.500 178.781 177.584 -0.505 0.000 1.181 12 A CA 3.157 54.606 52.037 -0.980 0.000 0.623 12 A CB -0.694 17.876 19.000 -0.718 0.000 0.818 12 A HN -0.499 7.485 8.150 -0.277 0.000 0.443 13 H N -0.132 118.753 119.070 -0.308 0.000 2.353 13 H HA -0.278 4.171 4.556 -0.178 0.000 0.300 13 H C 2.017 177.267 175.328 -0.132 0.000 1.090 13 H CA 3.238 59.178 56.048 -0.179 0.000 1.327 13 H CB -0.035 29.662 29.762 -0.108 0.000 1.383 13 H HN -0.149 8.090 8.280 -0.069 0.000 0.508 14 K N -1.643 118.609 120.400 -0.247 0.000 2.097 14 K HA -0.188 3.921 4.320 -0.352 0.000 0.205 14 K C 1.763 178.259 176.600 -0.173 0.000 1.050 14 K CA 2.326 58.471 56.287 -0.237 0.000 0.938 14 K CB 0.241 32.692 32.500 -0.082 0.000 0.718 14 K HN -0.423 7.760 8.250 -0.112 0.000 0.442 15 E N -4.225 115.895 120.200 -0.134 0.000 2.481 15 E HA 0.041 4.386 4.350 -0.008 0.000 0.198 15 E C -0.120 176.486 176.600 0.009 0.000 1.027 15 E CA -0.481 55.913 56.400 -0.010 0.000 0.900 15 E CB 0.870 30.665 29.700 0.158 0.000 0.993 15 E HN -0.583 7.663 8.360 -0.189 0.000 0.482 16 G N 0.319 109.051 108.800 -0.113 0.000 2.289 16 G HA2 -0.362 3.535 3.960 -0.104 0.000 0.280 16 G HA3 -0.362 3.577 3.960 -0.034 0.000 0.280 16 G C -1.282 173.640 174.900 0.037 0.000 1.089 16 G CA 0.541 45.603 45.100 -0.064 0.000 0.939 16 G HN -0.174 7.993 8.290 -0.204 0.000 0.499 17 Y N -4.907 115.376 120.300 -0.028 0.000 2.665 17 Y HA 0.449 4.983 4.550 -0.027 0.000 0.336 17 Y C -2.008 173.873 175.900 -0.031 0.000 1.085 17 Y CA -2.971 55.113 58.100 -0.027 0.000 1.096 17 Y CB 1.479 39.925 38.460 -0.024 0.000 1.301 17 Y HN -0.790 7.255 8.280 -0.391 0.000 0.493 18 G N -1.929 106.997 108.800 0.209 0.000 2.420 18 G HA2 0.448 4.519 3.960 -0.031 0.000 0.331 18 G HA3 0.448 4.430 3.960 0.038 0.000 0.331 18 G C -2.573 172.414 174.900 0.146 0.000 1.168 18 G CA -1.478 43.665 45.100 0.071 0.000 0.936 18 G HN -0.030 8.421 8.290 0.269 0.000 0.479 19 V N 1.543 121.465 119.914 0.014 0.000 2.409 19 V HA 0.246 4.435 4.120 0.116 0.000 0.291 19 V C -0.411 175.605 176.094 -0.130 0.000 1.020 19 V CA -1.704 60.614 62.300 0.031 0.000 0.848 19 V CB 2.820 34.679 31.823 0.060 0.000 0.990 19 V HN 0.037 8.065 8.190 -0.087 0.110 0.430 20 G N 5.707 114.430 108.800 -0.128 0.000 2.398 20 G HA2 0.042 3.833 3.960 -0.537 0.000 0.246 20 G HA3 0.042 3.578 3.960 -0.706 0.000 0.246 20 G C -2.026 172.408 174.900 -0.777 0.000 1.289 20 G CA -0.411 44.347 45.100 -0.571 0.000 0.869 20 G HN 0.460 8.760 8.290 0.016 0.000 0.543 21 A N 4.358 126.658 122.820 -0.867 0.000 2.273 21 A HA 0.720 5.101 4.320 -0.207 -0.185 0.315 21 A C -2.226 175.035 177.584 -0.538 0.000 1.256 21 A CA -1.849 49.901 52.037 -0.477 0.000 0.851 21 A CB 2.225 21.011 19.000 -0.356 0.000 1.172 21 A HN 0.056 7.612 8.150 -0.823 0.101 0.508 22 F N 2.668 122.668 119.950 0.084 0.000 2.467 22 F HA 0.702 5.468 4.527 0.061 -0.202 0.336 22 F C -0.106 175.786 175.800 0.153 0.000 1.123 22 F CA -2.068 55.979 58.000 0.079 0.000 0.964 22 F CB 2.583 41.605 39.000 0.037 0.000 1.136 22 F HN 0.263 8.662 8.300 0.164 0.000 0.447 23 N N 3.259 122.132 118.700 0.289 0.000 2.525 23 N HA 0.637 5.830 4.740 0.314 -0.265 0.271 23 N C -0.370 175.331 175.510 0.319 0.000 1.194 23 N CA 0.661 53.869 53.050 0.262 0.000 0.964 23 N CB 1.520 40.078 38.487 0.117 0.000 1.126 23 N HN -0.229 8.292 8.380 0.234 0.000 0.452 24 F N -2.860 117.130 119.950 0.066 0.000 2.613 24 F HA 0.492 5.000 4.527 -0.033 0.000 0.314 24 F C -1.583 174.220 175.800 0.005 0.000 1.075 24 F CA -2.008 56.000 58.000 0.014 0.000 0.945 24 F CB 3.123 42.146 39.000 0.039 0.000 1.310 24 F HN -0.258 8.217 8.300 0.290 0.000 0.467 25 V N -6.807 113.033 119.914 -0.123 0.000 3.451 25 V HA 0.197 4.129 4.120 -0.314 0.000 0.288 25 V C -1.998 174.119 176.094 0.037 0.000 1.502 25 V CA -0.453 61.728 62.300 -0.198 0.000 1.026 25 V CB 1.457 33.102 31.823 -0.297 0.000 0.840 25 V HN -0.267 7.914 8.190 -0.015 0.000 0.437 26 N N -3.282 115.512 118.700 0.156 0.000 3.378 26 N HA 0.037 4.949 4.740 0.287 0.000 0.294 26 N C -1.078 174.597 175.510 0.274 0.000 1.544 26 N CA -1.051 52.139 53.050 0.234 0.000 0.872 26 N CB 0.747 39.325 38.487 0.152 0.000 1.670 26 N HN -0.911 7.578 8.380 0.183 0.000 0.551 27 F N 0.375 120.398 119.950 0.122 0.000 2.102 27 F HA -0.176 4.410 4.527 0.098 0.000 0.298 27 F C 1.088 176.939 175.800 0.085 0.000 1.105 27 F CA 3.789 61.845 58.000 0.094 0.000 1.239 27 F CB 0.271 39.314 39.000 0.070 0.000 0.991 27 F HN 0.339 8.863 8.300 0.374 0.000 0.474 28 E N -1.135 118.950 120.200 -0.192 0.000 2.058 28 E HA -0.383 3.716 4.350 -0.418 0.000 0.194 28 E C 2.661 179.155 176.600 -0.177 0.000 0.997 28 E CA 4.034 60.303 56.400 -0.219 0.000 0.801 28 E CB -0.656 29.113 29.700 0.115 0.000 0.746 28 E HN 0.226 8.665 8.360 0.048 -0.051 0.450 29 M N -1.406 118.102 119.600 -0.153 0.000 2.132 29 M HA -0.349 4.080 4.480 -0.084 0.000 0.263 29 M C 2.266 178.534 176.300 -0.055 0.000 1.065 29 M CA 4.026 59.270 55.300 -0.094 0.000 1.122 29 M CB 0.102 32.661 32.600 -0.068 0.000 1.365 29 M HN -0.620 7.831 8.290 -0.160 -0.257 0.411 30 L N -0.634 120.548 121.223 -0.068 0.000 2.056 30 L HA -0.365 3.897 4.340 -0.130 0.000 0.207 30 L C 1.361 178.178 176.870 -0.087 0.000 1.078 30 L CA 3.466 58.226 54.840 -0.133 0.000 0.749 30 L CB -0.341 41.568 42.059 -0.249 0.000 0.901 30 L HN -0.527 7.682 8.230 -0.036 0.000 0.433 31 N N -1.017 117.500 118.700 -0.305 0.000 2.120 31 N HA -0.380 4.282 4.740 -0.130 0.000 0.188 31 N C 1.663 177.121 175.510 -0.086 0.000 1.024 31 N CA 3.055 55.946 53.050 -0.264 0.000 0.852 31 N CB -0.156 37.937 38.487 -0.657 0.000 1.003 31 N HN -0.003 8.077 8.380 -0.500 0.000 0.424 32 A N -0.411 122.345 122.820 -0.106 0.000 1.898 32 A HA -0.267 4.025 4.320 -0.046 0.000 0.216 32 A C 2.169 179.694 177.584 -0.098 0.000 1.181 32 A CA 3.030 55.031 52.037 -0.061 0.000 0.620 32 A CB -0.438 18.553 19.000 -0.015 0.000 0.819 32 A HN -0.654 7.411 8.150 -0.142 0.000 0.442 33 I N -1.450 119.054 120.570 -0.110 0.000 2.179 33 I HA -0.569 3.401 4.170 -0.334 0.000 0.242 33 I C 1.693 177.676 176.117 -0.224 0.000 1.088 33 I CA 4.380 65.548 61.300 -0.221 0.000 1.357 33 I CB -0.108 37.784 38.000 -0.180 0.000 1.051 33 I HN -0.536 7.627 8.210 -0.079 0.000 0.409 34 F N -0.611 119.203 119.950 -0.226 0.000 2.186 34 F HA -0.455 3.905 4.527 -0.278 0.000 0.299 34 F C 2.206 177.750 175.800 -0.428 0.000 1.090 34 F CA 4.712 62.543 58.000 -0.282 0.000 1.307 34 F CB -0.141 38.764 39.000 -0.159 0.000 1.019 34 F HN -0.444 7.983 8.300 0.212 0.000 0.489 35 E N -1.208 118.921 120.200 -0.119 0.000 2.106 35 E HA -0.484 3.684 4.350 -0.304 0.000 0.192 35 E C 1.826 178.313 176.600 -0.188 0.000 0.984 35 E CA 2.912 59.207 56.400 -0.175 0.000 0.806 35 E CB -0.278 29.403 29.700 -0.033 0.000 0.750 35 E HN -0.201 8.141 8.360 -0.030 0.000 0.458 36 A N -0.276 122.433 122.820 -0.185 0.000 1.858 36 A HA -0.248 3.981 4.320 -0.150 0.000 0.216 36 A C 1.908 179.368 177.584 -0.206 0.000 1.190 36 A CA 3.066 54.988 52.037 -0.192 0.000 0.617 36 A CB -0.712 18.140 19.000 -0.247 0.000 0.827 36 A HN -0.417 7.625 8.150 -0.180 0.000 0.443 37 G N -2.152 106.489 108.800 -0.265 0.000 2.442 37 G HA2 -0.460 3.384 3.960 -0.194 0.000 0.219 37 G HA3 -0.460 3.315 3.960 -0.308 0.000 0.219 37 G C 1.335 176.106 174.900 -0.215 0.000 1.141 37 G CA 1.983 46.934 45.100 -0.249 0.000 0.763 37 G HN -0.136 7.971 8.290 -0.305 0.000 0.554 38 N N 1.587 120.115 118.700 -0.286 0.000 2.188 38 N HA -0.208 4.470 4.740 -0.103 0.000 0.184 38 N C 2.858 178.331 175.510 -0.061 0.000 1.018 38 N CA 2.549 55.483 53.050 -0.193 0.000 0.858 38 N CB 0.240 38.477 38.487 -0.416 0.000 0.989 38 N HN -0.233 7.920 8.380 -0.364 0.009 0.426 39 E N -0.872 119.275 120.200 -0.088 0.000 2.158 39 E HA -0.153 4.183 4.350 -0.024 0.000 0.191 39 E C 1.262 177.833 176.600 -0.049 0.000 0.982 39 E CA 2.090 58.460 56.400 -0.049 0.000 0.823 39 E CB 0.229 29.897 29.700 -0.053 0.000 0.766 39 E HN -0.423 7.863 8.360 -0.125 0.000 0.468 40 E N -4.101 116.057 120.200 -0.070 0.000 2.479 40 E HA 0.152 4.467 4.350 -0.059 0.000 0.193 40 E C -1.016 175.550 176.600 -0.057 0.000 1.049 40 E CA -1.280 55.081 56.400 -0.066 0.000 0.870 40 E CB 0.283 29.935 29.700 -0.080 0.000 0.944 40 E HN -0.455 7.851 8.360 -0.090 0.000 0.492 41 N N -1.292 117.385 118.700 -0.038 0.000 2.688 41 N HA -0.441 4.313 4.740 0.025 0.000 0.258 41 N C -2.089 173.395 175.510 -0.043 0.000 1.016 41 N CA 1.472 54.515 53.050 -0.011 0.000 0.747 41 N CB -1.776 36.709 38.487 -0.003 0.000 0.895 41 N HN -0.480 7.713 8.380 -0.033 0.167 0.543 42 S N -1.187 114.474 115.700 -0.066 0.000 2.526 42 S HA 0.721 5.275 4.470 -0.075 -0.129 0.293 42 S C -2.546 172.016 174.600 -0.064 0.000 1.092 42 S CA -3.432 54.727 58.200 -0.068 0.000 0.980 42 S CB 2.570 65.734 63.200 -0.062 0.000 1.048 42 S HN -0.531 7.731 8.310 -0.080 0.000 0.483 43 P HA 0.040 4.537 4.420 -0.056 -0.111 0.272 43 P C -1.883 175.415 177.300 -0.003 0.000 1.230 43 P CA -0.232 62.860 63.100 -0.013 0.000 0.788 43 P CB 0.994 32.733 31.700 0.065 0.000 0.949 44 L N -2.552 118.638 121.223 -0.055 0.000 2.408 44 L HA 0.251 4.639 4.340 0.080 0.000 0.268 44 L C -1.270 175.597 176.870 -0.005 0.000 0.986 44 L CA -0.961 53.857 54.840 -0.036 0.000 0.820 44 L CB 4.277 46.167 42.059 -0.282 0.000 1.303 44 L HN -0.033 8.139 8.230 -0.097 0.000 0.411 45 F N 2.759 122.673 119.950 -0.060 0.000 2.410 45 F HA 0.356 4.994 4.527 -0.046 -0.139 0.349 45 F C -1.085 174.723 175.800 0.012 0.000 1.117 45 F CA -0.330 57.633 58.000 -0.060 0.000 1.104 45 F CB 2.562 41.474 39.000 -0.147 0.000 1.122 45 F HN -0.230 8.246 8.300 0.294 0.000 0.483 46 I N 5.704 126.340 120.570 0.110 0.000 2.378 46 I HA 0.552 5.005 4.170 0.232 -0.144 0.291 46 I C -2.669 173.653 176.117 0.342 0.000 0.992 46 I CA -2.865 58.540 61.300 0.175 0.000 1.154 46 I CB 3.138 41.133 38.000 -0.008 0.000 1.315 46 I HN 0.506 8.710 8.210 -0.008 0.000 0.448 47 Q N 7.034 127.106 119.800 0.454 0.000 2.433 47 Q HA 0.936 5.735 4.340 0.510 -0.152 0.279 47 Q C -1.771 174.473 176.000 0.406 0.000 1.105 47 Q CA -2.934 53.153 55.803 0.473 0.000 0.815 47 Q CB 4.201 33.204 28.738 0.441 0.000 1.403 47 Q HN 0.354 8.893 8.270 0.449 0.000 0.435 48 A N 0.908 123.919 122.820 0.319 0.000 2.359 48 A HA 0.696 4.959 4.320 -0.094 0.000 0.303 48 A C -1.259 176.375 177.584 0.083 0.000 1.066 48 A CA -1.191 50.891 52.037 0.075 0.000 0.730 48 A CB 2.992 22.030 19.000 0.062 0.000 1.211 48 A HN 0.153 8.542 8.150 0.399 0.000 0.439 49 S N 4.268 119.972 115.700 0.006 0.000 2.624 49 S HA 0.252 4.918 4.470 0.044 -0.170 0.263 49 S C 1.168 175.756 174.600 -0.020 0.000 1.287 49 S CA -1.326 56.881 58.200 0.011 0.000 0.990 49 S CB 1.627 64.822 63.200 -0.009 0.000 0.950 49 S HN 0.235 8.521 8.310 -0.040 0.000 0.561 50 E N 1.205 121.390 120.200 -0.025 0.000 2.118 50 E HA -0.436 3.883 4.350 -0.051 0.000 0.195 50 E C 2.632 179.217 176.600 -0.025 0.000 0.992 50 E CA 3.492 59.869 56.400 -0.037 0.000 0.804 50 E CB -0.318 29.361 29.700 -0.036 0.000 0.741 50 E HN 0.785 9.138 8.360 -0.012 0.000 0.458 51 G N -1.328 107.455 108.800 -0.030 0.000 2.418 51 G HA2 -0.211 3.742 3.960 -0.011 0.000 0.217 51 G HA3 -0.211 3.724 3.960 -0.041 0.000 0.217 51 G C 0.844 175.738 174.900 -0.011 0.000 1.158 51 G CA 1.530 46.615 45.100 -0.025 0.000 0.771 51 G HN 0.106 8.373 8.290 -0.035 0.002 0.545 52 A N 1.691 124.482 122.820 -0.048 0.000 1.898 52 A HA -0.289 3.999 4.320 -0.053 0.000 0.216 52 A C 1.759 179.343 177.584 -0.001 0.000 1.181 52 A CA 2.668 54.665 52.037 -0.066 0.000 0.620 52 A CB -0.316 18.570 19.000 -0.190 0.000 0.819 52 A HN -0.538 7.495 8.150 -0.062 0.080 0.442 53 I N -1.511 119.055 120.570 -0.007 0.000 2.286 53 I HA -0.565 3.629 4.170 0.040 0.000 0.248 53 I C 1.773 177.912 176.117 0.036 0.000 1.115 53 I CA 3.860 65.176 61.300 0.028 0.000 1.392 53 I CB -0.286 37.728 38.000 0.024 0.000 1.065 53 I HN -0.147 8.051 8.210 -0.020 0.000 0.418 54 K N 0.329 120.751 120.400 0.035 0.000 2.057 54 K HA -0.366 3.966 4.320 0.021 0.000 0.207 54 K C 1.586 178.224 176.600 0.064 0.000 1.049 54 K CA 2.975 59.285 56.287 0.039 0.000 0.931 54 K CB -0.396 32.125 32.500 0.036 0.000 0.714 54 K HN -0.317 7.949 8.250 0.026 0.000 0.440 55 Y N -2.131 118.146 120.300 -0.038 0.000 2.220 55 Y HA -0.249 4.285 4.550 -0.026 0.000 0.291 55 Y C 1.197 177.083 175.900 -0.024 0.000 1.129 55 Y CA 2.535 60.614 58.100 -0.035 0.000 1.161 55 Y CB 0.668 39.096 38.460 -0.053 0.000 0.997 55 Y HN -0.607 7.696 8.280 0.198 0.095 0.522 56 M N -3.981 115.637 119.600 0.029 0.000 2.394 56 M HA -0.014 4.393 4.480 -0.121 0.000 0.266 56 M C 0.172 176.453 176.300 -0.031 0.000 1.098 56 M CA 1.687 56.971 55.300 -0.027 0.000 1.149 56 M CB 1.433 34.074 32.600 0.069 0.000 1.369 56 M HN -0.364 7.995 8.290 0.115 0.000 0.450 57 G N -1.674 107.125 108.800 -0.001 0.000 2.879 57 G HA2 -0.225 3.768 3.960 0.013 0.000 0.686 57 G HA3 -0.225 3.817 3.960 0.004 -0.080 0.686 57 G C -1.044 173.890 174.900 0.058 0.000 1.115 57 G CA -0.604 44.506 45.100 0.016 0.000 0.770 57 G HN -0.425 7.869 8.290 0.008 0.000 0.601 58 I N 1.954 122.567 120.570 0.072 0.000 2.394 58 I HA -0.348 3.927 4.170 0.176 0.000 0.251 58 I C 0.244 176.443 176.117 0.137 0.000 1.136 58 I CA 2.281 63.662 61.300 0.135 0.000 1.425 58 I CB -0.080 37.995 38.000 0.124 0.000 1.079 58 I HN 0.406 8.648 8.210 0.054 0.000 0.425 59 D N -1.767 118.684 120.400 0.085 0.000 2.144 59 D HA -0.295 4.389 4.640 0.075 0.000 0.199 59 D C 1.919 178.260 176.300 0.068 0.000 0.984 59 D CA 3.078 57.118 54.000 0.068 0.000 0.834 59 D CB -1.239 39.585 40.800 0.041 0.000 0.955 59 D HN 0.386 8.796 8.370 0.066 0.000 0.465 60 M N 0.423 120.065 119.600 0.070 0.000 2.193 60 M HA -0.140 4.378 4.480 0.062 0.000 0.265 60 M C 1.373 177.753 176.300 0.134 0.000 1.071 60 M CA 1.758 57.104 55.300 0.078 0.000 1.140 60 M CB -0.288 32.347 32.600 0.058 0.000 1.369 60 M HN -0.768 7.560 8.290 0.064 0.000 0.423 61 A N 0.423 123.342 122.820 0.165 0.000 1.859 61 A HA -0.252 4.287 4.320 0.366 0.000 0.217 61 A C 2.185 179.899 177.584 0.217 0.000 1.198 61 A CA 3.085 55.279 52.037 0.261 0.000 0.629 61 A CB -0.797 18.341 19.000 0.230 0.000 0.830 61 A HN -0.195 8.039 8.150 0.141 0.000 0.446 62 V N -2.755 117.224 119.914 0.109 0.000 2.358 62 V HA -0.511 3.551 4.120 -0.096 0.000 0.246 62 V C 1.926 178.026 176.094 0.009 0.000 1.047 62 V CA 3.803 66.101 62.300 -0.004 0.000 1.035 62 V CB -0.223 31.607 31.823 0.012 0.000 0.658 62 V HN -0.361 7.911 8.190 0.135 0.000 0.452 63 G N -0.996 107.826 108.800 0.037 0.000 2.440 63 G HA2 -0.386 3.576 3.960 0.004 0.000 0.218 63 G HA3 -0.386 3.657 3.960 0.024 -0.069 0.218 63 G C 1.145 176.048 174.900 0.003 0.000 1.154 63 G CA 2.242 47.353 45.100 0.017 0.000 0.767 63 G HN -0.432 7.892 8.290 0.057 0.000 0.552 64 M N 1.278 120.900 119.600 0.037 0.000 2.132 64 M HA -0.372 4.111 4.480 0.005 0.000 0.263 64 M C 2.098 178.353 176.300 -0.076 0.000 1.065 64 M CA 3.991 59.304 55.300 0.021 0.000 1.122 64 M CB 0.171 32.843 32.600 0.121 0.000 1.365 64 M HN -0.269 8.068 8.290 0.078 0.000 0.411 65 V N 0.387 120.255 119.914 -0.076 0.000 2.343 65 V HA -0.618 3.375 4.120 -0.212 0.000 0.247 65 V C 1.677 177.699 176.094 -0.120 0.000 1.051 65 V CA 4.579 66.800 62.300 -0.132 0.000 1.036 65 V CB -0.556 31.215 31.823 -0.087 0.000 0.654 65 V HN -0.618 7.562 8.190 -0.016 0.000 0.451 66 K N -0.430 119.924 120.400 -0.077 0.000 2.103 66 K HA -0.344 3.947 4.320 -0.049 0.000 0.207 66 K C 2.678 179.223 176.600 -0.091 0.000 1.048 66 K CA 3.457 59.706 56.287 -0.063 0.000 0.930 66 K CB -0.271 32.205 32.500 -0.040 0.000 0.716 66 K HN -0.430 7.784 8.250 -0.060 0.000 0.444 67 I N 0.083 120.588 120.570 -0.109 0.000 2.315 67 I HA -0.459 3.651 4.170 -0.100 0.000 0.248 67 I C 1.886 177.883 176.117 -0.201 0.000 1.117 67 I CA 3.822 65.048 61.300 -0.122 0.000 1.404 67 I CB 0.006 37.949 38.000 -0.096 0.000 1.071 67 I HN -0.605 7.548 8.210 -0.097 0.000 0.419 68 M N -0.753 118.646 119.600 -0.334 0.000 2.175 68 M HA -0.355 3.838 4.480 -0.479 0.000 0.264 68 M C 2.264 178.285 176.300 -0.464 0.000 1.063 68 M CA 1.843 56.761 55.300 -0.637 0.000 1.119 68 M CB -1.410 30.335 32.600 -1.424 0.000 1.377 68 M HN -0.402 7.693 8.290 -0.325 0.000 0.415 69 C N -0.907 118.261 119.300 -0.221 0.000 2.435 69 C HA -0.352 4.234 4.460 0.210 0.000 0.279 69 C C 1.483 176.474 174.990 0.002 0.000 1.321 69 C CA 4.505 63.548 59.018 0.042 0.000 1.752 69 C CB -0.761 27.020 27.740 0.068 0.000 1.959 69 C HN 0.085 8.104 8.230 -0.214 0.082 0.500 70 E N -0.343 119.820 120.200 -0.062 0.000 2.150 70 E HA -0.280 4.053 4.350 -0.028 0.000 0.193 70 E C 1.538 178.078 176.600 -0.099 0.000 0.985 70 E CA 2.400 58.764 56.400 -0.059 0.000 0.814 70 E CB -0.098 29.562 29.700 -0.066 0.000 0.752 70 E HN -0.587 7.720 8.360 -0.089 0.000 0.466 71 R N -2.036 118.350 120.500 -0.189 0.000 2.115 71 R HA -0.157 4.002 4.340 -0.302 0.000 0.226 71 R C 0.554 176.573 176.300 -0.468 0.000 1.100 71 R CA 2.024 57.901 56.100 -0.373 0.000 0.980 71 R CB 0.990 30.974 30.300 -0.527 0.000 0.875 71 R HN -0.723 7.310 8.270 -0.200 0.117 0.445 72 Y N -3.588 116.721 120.300 0.015 0.000 2.511 72 Y HA 0.471 5.091 4.550 0.117 0.000 0.356 72 Y C -1.812 174.051 175.900 -0.061 0.000 1.002 72 Y CA -3.353 54.758 58.100 0.018 0.000 1.127 72 Y CB -0.222 38.250 38.460 0.019 0.000 1.137 72 Y HN -0.588 7.697 8.280 0.009 0.000 0.652 73 P HA -0.053 4.544 4.420 0.075 -0.131 0.225 73 P C -0.585 176.774 177.300 0.098 0.000 1.148 73 P CA 1.094 64.256 63.100 0.103 0.000 0.779 73 P CB 0.123 31.884 31.700 0.101 0.000 0.780 74 H N -6.679 112.457 119.070 0.109 0.000 2.548 74 H HA 0.013 4.604 4.556 0.058 0.000 0.268 74 H C -0.608 174.759 175.328 0.066 0.000 0.975 74 H CA -0.652 55.441 56.048 0.076 0.000 1.195 74 H CB -0.434 29.369 29.762 0.069 0.000 1.397 74 H HN -0.031 8.326 8.280 0.200 0.043 0.572 75 I N 3.722 124.100 120.570 -0.320 0.000 2.312 75 I HA 0.231 4.300 4.170 -0.169 0.000 0.291 75 I C -2.543 173.516 176.117 -0.096 0.000 1.031 75 I CA -2.520 58.649 61.300 -0.219 0.000 1.293 75 I CB -0.098 37.730 38.000 -0.286 0.000 1.403 75 I HN -0.721 7.224 8.210 -0.366 0.045 0.484 76 P HA 0.030 4.557 4.420 -0.039 -0.130 0.271 76 P C -1.492 175.743 177.300 -0.107 0.000 1.233 76 P CA -0.352 62.716 63.100 -0.053 0.000 0.764 76 P CB 0.306 31.996 31.700 -0.017 0.000 0.825 77 V N 4.915 124.755 119.914 -0.123 0.000 2.638 77 V HA 0.725 4.933 4.120 -0.241 -0.232 0.306 77 V C -1.852 174.094 176.094 -0.247 0.000 1.052 77 V CA -1.886 60.297 62.300 -0.195 0.000 0.885 77 V CB 4.263 36.008 31.823 -0.130 0.000 0.999 77 V HN 0.036 8.172 8.190 -0.091 0.000 0.424 78 A N 6.855 129.394 122.820 -0.470 0.000 2.317 78 A HA 0.694 4.949 4.320 -0.340 -0.140 0.327 78 A C -2.628 174.732 177.584 -0.374 0.000 1.178 78 A CA -2.220 49.479 52.037 -0.564 0.000 0.817 78 A CB 2.964 21.215 19.000 -1.248 0.000 1.189 78 A HN 0.413 8.212 8.150 -0.584 0.000 0.489 79 L N 4.663 125.788 121.223 -0.162 0.000 2.265 79 L HA 0.712 5.213 4.340 -0.033 -0.181 0.289 79 L C -1.775 175.200 176.870 0.175 0.000 1.033 79 L CA -1.320 53.470 54.840 -0.083 0.000 0.814 79 L CB 2.018 43.906 42.059 -0.285 0.000 1.203 79 L HN -0.176 7.973 8.230 -0.134 0.000 0.423 80 H N 8.681 127.919 119.070 0.279 0.000 2.547 80 H HA 0.607 5.705 4.556 0.486 -0.251 0.342 80 H C -1.855 173.816 175.328 0.573 0.000 1.048 80 H CA -2.168 54.164 56.048 0.473 0.000 1.204 80 H CB 3.785 33.849 29.762 0.504 0.000 1.493 80 H HN 0.593 9.125 8.280 0.420 0.000 0.511 81 L N 8.260 129.469 121.223 -0.023 0.000 2.385 81 L HA 0.299 4.770 4.340 -0.023 -0.145 0.281 81 L C -1.882 174.784 176.870 -0.340 0.000 1.106 81 L CA -0.750 53.953 54.840 -0.229 0.000 0.856 81 L CB 0.895 42.660 42.059 -0.490 0.000 1.186 81 L HN 0.118 8.292 8.230 -0.093 0.000 0.453 82 D N 8.505 128.879 120.400 -0.044 0.000 2.308 82 D HA 0.140 4.815 4.640 0.058 0.000 0.251 82 D C -0.127 176.225 176.300 0.086 0.000 1.127 82 D CA -0.932 53.107 54.000 0.065 0.000 0.876 82 D CB 0.891 41.808 40.800 0.194 0.000 1.176 82 D HN -0.234 8.166 8.370 0.051 0.000 0.446 83 H N 2.461 121.589 119.070 0.096 0.000 2.496 83 H HA -0.438 4.160 4.556 0.069 0.000 0.323 83 H C -0.556 174.763 175.328 -0.015 0.000 1.054 83 H CA 1.196 57.274 56.048 0.051 0.000 1.095 83 H CB -2.724 27.063 29.762 0.042 0.000 1.595 83 H HN 0.049 8.209 8.280 -0.199 0.000 0.388 84 G N -2.259 106.548 108.800 0.012 0.000 2.398 84 G HA2 0.077 4.182 3.960 -0.042 0.000 0.246 84 G HA3 0.077 4.081 3.960 -0.073 -0.088 0.246 84 G C -0.724 174.189 174.900 0.023 0.000 1.289 84 G CA -0.141 44.942 45.100 -0.028 0.000 0.869 84 G HN -0.456 7.815 8.290 -0.031 0.000 0.543 85 T N -0.995 113.574 114.554 0.024 0.000 2.990 85 T HA 0.306 4.708 4.350 0.087 0.000 0.250 85 T C 0.319 175.069 174.700 0.084 0.000 1.041 85 T CA -0.619 61.520 62.100 0.064 0.000 1.010 85 T CB 1.605 70.503 68.868 0.050 0.000 1.003 85 T HN 0.154 8.659 8.240 0.003 -0.263 0.499 86 T N -3.212 111.376 114.554 0.056 0.000 2.883 86 T HA 0.278 4.706 4.350 0.130 0.000 0.296 86 T C -0.324 174.428 174.700 0.085 0.000 1.117 86 T CA -2.352 59.804 62.100 0.094 0.000 1.006 86 T CB 2.976 71.895 68.868 0.085 0.000 1.191 86 T HN -0.880 7.373 8.240 0.021 0.000 0.508 87 F N 3.009 122.958 119.950 -0.001 0.000 2.171 87 F HA -0.353 4.159 4.527 -0.024 0.000 0.300 87 F C 0.751 176.535 175.800 -0.025 0.000 1.090 87 F CA 4.116 62.106 58.000 -0.018 0.000 1.293 87 F CB 0.253 39.242 39.000 -0.018 0.000 1.013 87 F HN 0.577 9.053 8.300 0.294 0.000 0.486 88 E N -0.672 119.573 120.200 0.076 0.000 2.106 88 E HA -0.328 3.983 4.350 -0.065 0.000 0.192 88 E C 2.647 179.167 176.600 -0.133 0.000 0.984 88 E CA 3.146 59.533 56.400 -0.023 0.000 0.806 88 E CB -0.806 28.940 29.700 0.076 0.000 0.750 88 E HN 0.363 8.827 8.360 0.192 0.012 0.458 89 S N 0.328 115.963 115.700 -0.108 0.000 2.355 89 S HA -0.259 4.135 4.470 -0.126 0.000 0.222 89 S C 1.906 176.373 174.600 -0.222 0.000 1.031 89 S CA 3.118 61.236 58.200 -0.138 0.000 0.993 89 S CB -0.071 63.071 63.200 -0.098 0.000 0.859 89 S HN -0.385 7.888 8.310 -0.062 0.000 0.453 90 C N 1.053 120.202 119.300 -0.252 0.000 2.429 90 C HA -0.399 3.892 4.460 -0.281 0.000 0.277 90 C C 1.479 176.264 174.990 -0.341 0.000 1.262 90 C CA 5.012 63.853 59.018 -0.296 0.000 1.733 90 C CB -0.629 26.949 27.740 -0.270 0.000 2.010 90 C HN -0.446 7.649 8.230 -0.224 0.000 0.483 91 E N 1.086 121.010 120.200 -0.459 0.000 2.077 91 E HA -0.354 3.774 4.350 -0.370 0.000 0.193 91 E C 2.040 178.514 176.600 -0.209 0.000 0.989 91 E CA 2.987 59.151 56.400 -0.393 0.000 0.800 91 E CB -0.245 29.159 29.700 -0.493 0.000 0.746 91 E HN -0.173 7.854 8.360 -0.555 0.000 0.452 92 K N -1.127 119.163 120.400 -0.183 0.000 2.057 92 K HA -0.330 3.942 4.320 -0.079 0.000 0.207 92 K C 2.408 178.936 176.600 -0.119 0.000 1.049 92 K CA 3.031 59.248 56.287 -0.117 0.000 0.931 92 K CB -0.150 32.288 32.500 -0.104 0.000 0.714 92 K HN -0.406 7.723 8.250 -0.202 0.000 0.440 93 A N -0.671 122.009 122.820 -0.234 0.000 1.883 93 A HA -0.242 3.859 4.320 -0.366 0.000 0.217 93 A C 2.047 179.603 177.584 -0.047 0.000 1.186 93 A CA 3.073 54.897 52.037 -0.355 0.000 0.624 93 A CB -0.845 17.705 19.000 -0.750 0.000 0.822 93 A HN -0.505 7.480 8.150 -0.276 0.000 0.444 94 V N -1.668 118.207 119.914 -0.065 0.000 2.295 94 V HA -0.546 3.619 4.120 0.076 0.000 0.246 94 V C 2.130 178.252 176.094 0.046 0.000 1.049 94 V CA 3.582 65.892 62.300 0.017 0.000 1.024 94 V CB -0.022 31.779 31.823 -0.036 0.000 0.648 94 V HN -0.364 7.746 8.190 -0.134 0.000 0.447 95 K N -1.658 118.750 120.400 0.013 0.000 2.148 95 K HA -0.261 4.076 4.320 0.030 0.000 0.204 95 K C 1.456 178.093 176.600 0.062 0.000 1.050 95 K CA 2.461 58.765 56.287 0.028 0.000 0.942 95 K CB -0.251 32.253 32.500 0.007 0.000 0.724 95 K HN -0.471 7.765 8.250 -0.023 0.000 0.446 96 A N -4.162 118.717 122.820 0.099 0.000 2.119 96 A HA 0.036 4.418 4.320 0.104 0.000 0.216 96 A C 0.437 178.122 177.584 0.168 0.000 1.152 96 A CA 0.845 52.969 52.037 0.146 0.000 0.708 96 A CB 0.421 19.546 19.000 0.208 0.000 0.805 96 A HN -0.459 7.633 8.150 0.092 0.113 0.460 97 G N -3.449 105.465 108.800 0.189 0.000 2.164 97 G HA2 -0.187 3.835 3.960 0.103 0.000 0.154 97 G HA3 -0.187 3.824 3.960 0.085 0.000 0.154 97 G C -0.328 174.655 174.900 0.139 0.000 1.014 97 G CA -0.550 44.628 45.100 0.129 0.000 0.683 97 G HN -0.663 7.720 8.290 0.201 0.028 0.500 98 F N 0.730 120.701 119.950 0.036 0.000 2.553 98 F HA -0.160 4.404 4.527 0.062 0.000 0.356 98 F C 0.737 176.565 175.800 0.047 0.000 1.142 98 F CA 1.361 59.389 58.000 0.047 0.000 1.322 98 F CB 0.910 39.931 39.000 0.035 0.000 1.126 98 F HN -0.658 8.010 8.300 0.613 0.000 0.599 99 T N -3.506 111.165 114.554 0.194 0.000 3.085 99 T HA 0.129 4.559 4.350 0.134 0.000 0.264 99 T C -0.419 174.407 174.700 0.211 0.000 1.019 99 T CA -0.441 61.743 62.100 0.141 0.000 0.910 99 T CB 0.819 69.714 68.868 0.045 0.000 1.059 99 T HN 0.209 8.545 8.240 0.160 0.000 0.542 100 S N 0.346 116.237 115.700 0.318 0.000 2.548 100 S HA 0.636 5.534 4.470 0.375 -0.203 0.278 100 S C -2.420 172.374 174.600 0.324 0.000 1.150 100 S CA -0.256 58.215 58.200 0.452 0.000 0.907 100 S CB 1.852 65.518 63.200 0.777 0.000 1.108 100 S HN -0.729 7.795 8.310 0.357 0.000 0.459 101 V N 0.095 120.104 119.914 0.159 0.000 2.841 101 V HA 0.487 4.422 4.120 -0.307 0.000 0.310 101 V C -2.566 173.494 176.094 -0.057 0.000 1.090 101 V CA -2.421 59.811 62.300 -0.112 0.000 0.930 101 V CB 3.704 35.457 31.823 -0.117 0.000 1.014 101 V HN 0.422 8.729 8.190 0.194 0.000 0.425 102 M N 5.320 124.811 119.600 -0.181 0.000 2.157 102 M HA 0.575 5.302 4.480 0.078 -0.200 0.354 102 M C -1.886 174.391 176.300 -0.039 0.000 1.170 102 M CA -0.921 54.378 55.300 -0.003 0.000 1.060 102 M CB 2.741 35.377 32.600 0.060 0.000 1.615 102 M HN 0.167 8.234 8.290 -0.370 0.000 0.460 103 I N 7.738 128.304 120.570 -0.007 0.000 2.306 103 I HA 0.214 4.507 4.170 -0.002 -0.124 0.288 103 I C -2.845 173.286 176.117 0.024 0.000 1.036 103 I CA -1.712 59.593 61.300 0.007 0.000 1.221 103 I CB 1.484 39.495 38.000 0.019 0.000 1.385 103 I HN 0.406 8.620 8.210 0.006 0.000 0.472 104 D N 9.932 130.353 120.400 0.035 0.000 2.467 104 D HA 0.192 4.840 4.640 0.014 0.000 0.220 104 D C -1.758 174.560 176.300 0.031 0.000 1.103 104 D CA -1.426 52.602 54.000 0.048 0.000 0.886 104 D CB 1.237 42.123 40.800 0.143 0.000 1.025 104 D HN 0.318 8.715 8.370 0.045 0.000 0.514 105 A N 5.668 128.446 122.820 -0.070 0.000 2.705 105 A HA 0.306 4.265 4.320 -0.603 0.000 0.294 105 A C 0.350 177.728 177.584 -0.343 0.000 1.039 105 A CA -0.773 51.051 52.037 -0.354 0.000 1.005 105 A CB 0.030 18.925 19.000 -0.174 0.000 1.192 105 A HN 0.210 8.330 8.150 -0.050 0.000 0.513 106 S N 0.881 116.498 115.700 -0.138 0.000 2.474 106 S HA -0.254 4.137 4.470 -0.131 0.000 0.235 106 S C 0.484 175.045 174.600 -0.065 0.000 0.997 106 S CA 2.186 60.325 58.200 -0.102 0.000 0.949 106 S CB 0.341 63.499 63.200 -0.070 0.000 0.766 106 S HN -0.661 7.870 8.310 -0.046 -0.248 0.517 107 H N -2.579 116.398 119.070 -0.154 0.000 2.548 107 H HA 0.112 4.638 4.556 -0.051 0.000 0.268 107 H C -0.351 174.977 175.328 0.000 0.000 0.975 107 H CA -0.169 55.822 56.048 -0.095 0.000 1.195 107 H CB -0.437 29.258 29.762 -0.111 0.000 1.397 107 H HN 0.176 8.362 8.280 -0.089 0.041 0.572 108 H N 2.229 121.084 119.070 -0.357 0.000 2.544 108 H HA -0.014 4.445 4.556 -0.161 0.000 0.365 108 H C -0.708 174.579 175.328 -0.068 0.000 1.268 108 H CA -0.956 54.964 56.048 -0.212 0.000 1.400 108 H CB 1.179 30.791 29.762 -0.249 0.000 1.538 108 H HN -0.647 7.111 8.280 -0.624 0.148 0.597 109 A N -0.288 122.604 122.820 0.120 0.000 2.425 109 A HA -0.030 4.363 4.320 0.122 0.000 0.242 109 A C 0.574 178.251 177.584 0.155 0.000 1.077 109 A CA -0.183 51.926 52.037 0.119 0.000 0.781 109 A CB 0.909 19.964 19.000 0.092 0.000 1.020 109 A HN 0.130 8.340 8.150 0.100 0.000 0.494 110 F N 1.524 121.507 119.950 0.055 0.000 2.111 110 F HA -0.505 4.082 4.527 0.100 0.000 0.300 110 F C 0.788 176.660 175.800 0.121 0.000 1.088 110 F CA 3.987 62.042 58.000 0.091 0.000 1.243 110 F CB 0.396 39.441 39.000 0.076 0.000 0.996 110 F HN 0.703 9.200 8.300 0.328 0.000 0.483 111 E N -4.078 116.271 120.200 0.248 0.000 2.216 111 E HA -0.233 4.142 4.350 0.040 0.000 0.192 111 E C 2.565 179.153 176.600 -0.019 0.000 0.988 111 E CA 2.826 59.292 56.400 0.111 0.000 0.834 111 E CB -1.514 28.293 29.700 0.177 0.000 0.772 111 E HN 0.517 9.057 8.360 0.320 0.012 0.479 112 E N 0.574 120.772 120.200 -0.004 0.000 2.072 112 E HA -0.290 4.017 4.350 -0.071 0.000 0.191 112 E C 2.230 178.825 176.600 -0.008 0.000 0.985 112 E CA 2.454 58.826 56.400 -0.047 0.000 0.801 112 E CB -0.613 29.024 29.700 -0.105 0.000 0.750 112 E HN -0.480 7.899 8.360 0.032 0.000 0.452 113 N N 0.247 118.962 118.700 0.025 0.000 2.036 113 N HA -0.293 4.510 4.740 0.106 0.000 0.195 113 N C 2.054 177.584 175.510 0.034 0.000 1.037 113 N CA 3.044 56.135 53.050 0.069 0.000 0.855 113 N CB -0.198 38.320 38.487 0.051 0.000 1.033 113 N HN -0.341 8.053 8.380 0.023 0.000 0.423 114 L N -0.680 120.453 121.223 -0.151 0.000 2.083 114 L HA -0.285 3.629 4.340 -0.710 0.000 0.209 114 L C 1.431 178.138 176.870 -0.271 0.000 1.083 114 L CA 3.199 57.780 54.840 -0.432 0.000 0.752 114 L CB -0.159 41.571 42.059 -0.548 0.000 0.899 114 L HN -0.364 7.728 8.230 -0.230 0.000 0.433 115 E N -0.514 119.592 120.200 -0.156 0.000 2.017 115 E HA -0.380 3.894 4.350 -0.128 0.000 0.193 115 E C 2.280 178.825 176.600 -0.093 0.000 0.997 115 E CA 3.214 59.544 56.400 -0.117 0.000 0.804 115 E CB 0.049 29.696 29.700 -0.089 0.000 0.757 115 E HN -0.615 7.666 8.360 -0.131 0.000 0.448 116 L N -1.040 120.154 121.223 -0.048 0.000 2.012 116 L HA -0.306 4.033 4.340 -0.003 0.000 0.210 116 L C 1.939 178.817 176.870 0.014 0.000 1.073 116 L CA 3.116 57.960 54.840 0.006 0.000 0.748 116 L CB -0.125 41.977 42.059 0.072 0.000 0.891 116 L HN -0.408 7.800 8.230 -0.037 0.000 0.431 117 T N 1.410 115.956 114.554 -0.013 0.000 2.759 117 T HA -0.488 3.870 4.350 0.013 0.000 0.269 117 T C 1.926 176.564 174.700 -0.105 0.000 1.042 117 T CA 5.421 67.502 62.100 -0.031 0.000 1.140 117 T CB -0.329 68.533 68.868 -0.009 0.000 0.864 117 T HN 0.071 8.302 8.240 -0.015 0.000 0.455 118 S N 1.712 117.318 115.700 -0.157 0.000 2.402 118 S HA -0.278 4.075 4.470 -0.194 0.000 0.229 118 S C 1.345 175.888 174.600 -0.095 0.000 1.021 118 S CA 3.255 61.357 58.200 -0.164 0.000 0.974 118 S CB -0.071 63.022 63.200 -0.179 0.000 0.800 118 S HN -0.301 7.895 8.310 -0.171 0.012 0.484 119 K N 2.710 123.082 120.400 -0.048 0.000 2.057 119 K HA -0.247 4.054 4.320 -0.031 0.000 0.206 119 K C 2.096 178.795 176.600 0.165 0.000 1.050 119 K CA 3.134 59.423 56.287 0.004 0.000 0.935 119 K CB -0.041 32.411 32.500 -0.080 0.000 0.715 119 K HN -0.726 7.403 8.250 -0.052 0.090 0.439 120 V N -0.257 119.763 119.914 0.176 0.000 2.343 120 V HA -0.541 3.695 4.120 0.194 0.000 0.247 120 V C 1.726 177.806 176.094 -0.024 0.000 1.051 120 V CA 4.364 66.736 62.300 0.120 0.000 1.036 120 V CB 0.019 31.865 31.823 0.038 0.000 0.654 120 V HN -0.487 7.781 8.190 0.130 0.000 0.451 121 V N 0.074 119.915 119.914 -0.121 0.000 2.295 121 V HA -0.581 3.311 4.120 -0.381 0.000 0.246 121 V C 1.624 177.541 176.094 -0.294 0.000 1.049 121 V CA 4.835 66.936 62.300 -0.331 0.000 1.024 121 V CB -0.328 31.243 31.823 -0.421 0.000 0.648 121 V HN -0.214 7.910 8.190 -0.109 0.000 0.447 122 K N -0.411 119.909 120.400 -0.133 0.000 2.044 122 K HA -0.377 3.915 4.320 -0.048 0.000 0.210 122 K C 2.111 178.727 176.600 0.027 0.000 1.049 122 K CA 3.063 59.325 56.287 -0.041 0.000 0.927 122 K CB -0.453 32.039 32.500 -0.013 0.000 0.713 122 K HN -0.607 7.579 8.250 -0.106 0.000 0.443 123 M N -1.134 118.509 119.600 0.072 0.000 2.132 123 M HA -0.241 4.299 4.480 0.100 0.000 0.263 123 M C 1.873 178.199 176.300 0.044 0.000 1.065 123 M CA 2.450 57.805 55.300 0.091 0.000 1.122 123 M CB -0.317 32.375 32.600 0.153 0.000 1.365 123 M HN -0.693 7.657 8.290 0.100 0.000 0.411 124 A N -0.848 121.981 122.820 0.014 0.000 1.873 124 A HA -0.371 3.970 4.320 0.036 0.000 0.215 124 A C 1.958 179.639 177.584 0.161 0.000 1.186 124 A CA 2.892 54.959 52.037 0.051 0.000 0.616 124 A CB -0.495 18.523 19.000 0.030 0.000 0.823 124 A HN 0.283 8.423 8.150 -0.016 0.000 0.442 125 H N -1.031 118.048 119.070 0.014 0.000 2.421 125 H HA -0.260 4.308 4.556 0.020 0.000 0.298 125 H C 3.214 178.555 175.328 0.021 0.000 1.087 125 H CA 2.386 58.444 56.048 0.017 0.000 1.330 125 H CB -0.028 29.740 29.762 0.011 0.000 1.388 125 H HN 0.215 8.567 8.280 0.121 0.000 0.526 126 N N 0.001 118.791 118.700 0.150 0.000 2.364 126 N HA -0.186 4.604 4.740 0.084 0.000 0.183 126 N C 0.012 175.564 175.510 0.070 0.000 1.022 126 N CA 2.244 55.348 53.050 0.090 0.000 0.883 126 N CB 0.230 38.761 38.487 0.072 0.000 0.965 126 N HN -0.395 8.058 8.380 0.140 0.011 0.438 127 A N -3.248 119.616 122.820 0.074 0.000 2.465 127 A HA 0.260 4.610 4.320 0.050 0.000 0.255 127 A C -0.175 177.445 177.584 0.061 0.000 1.274 127 A CA -0.757 51.315 52.037 0.058 0.000 0.920 127 A CB 0.489 19.518 19.000 0.049 0.000 1.033 127 A HN -0.579 7.471 8.150 0.087 0.152 0.516 128 G N -1.093 107.746 108.800 0.066 0.000 2.160 128 G HA2 -0.303 3.674 3.960 0.029 0.000 0.244 128 G HA3 -0.303 3.681 3.960 0.040 0.000 0.244 128 G C -0.777 174.164 174.900 0.067 0.000 1.022 128 G CA 0.291 45.419 45.100 0.048 0.000 0.741 128 G HN -0.446 7.721 8.290 0.076 0.168 0.508 129 V N -0.697 119.280 119.914 0.104 0.000 2.513 129 V HA 0.014 4.209 4.120 0.125 0.000 0.299 129 V C -1.073 175.130 176.094 0.182 0.000 1.035 129 V CA -1.202 61.177 62.300 0.131 0.000 0.889 129 V CB 2.371 34.264 31.823 0.118 0.000 0.988 129 V HN -0.404 7.835 8.190 0.119 0.022 0.440 130 S N 4.985 120.801 115.700 0.193 0.000 2.652 130 S HA 0.227 4.927 4.470 0.202 -0.109 0.270 130 S C -1.049 173.618 174.600 0.111 0.000 1.243 130 S CA -0.677 57.639 58.200 0.194 0.000 0.999 130 S CB 1.223 64.601 63.200 0.296 0.000 0.973 130 S HN -0.286 8.146 8.310 0.204 0.000 0.544 131 V N -0.455 119.399 119.914 -0.099 0.000 2.760 131 V HA 0.620 4.925 4.120 -0.054 -0.218 0.309 131 V C -2.069 173.754 176.094 -0.451 0.000 1.077 131 V CA -1.561 60.640 62.300 -0.166 0.000 0.910 131 V CB 4.360 36.117 31.823 -0.110 0.000 1.008 131 V HN 0.215 8.560 8.190 -0.177 -0.261 0.424 132 E N 6.182 126.263 120.200 -0.199 0.000 2.212 132 E HA 0.894 5.315 4.350 -0.244 -0.218 0.268 132 E C -2.152 174.461 176.600 0.022 0.000 0.902 132 E CA -2.968 53.375 56.400 -0.095 0.000 0.779 132 E CB 4.198 34.048 29.700 0.250 0.000 1.172 132 E HN 0.234 8.581 8.360 -0.022 0.000 0.409 133 A N 3.253 126.100 122.820 0.045 0.000 2.486 133 A HA 0.875 5.396 4.320 0.040 -0.178 0.289 133 A C -2.440 175.119 177.584 -0.041 0.000 1.176 133 A CA -2.185 49.881 52.037 0.048 0.000 0.757 133 A CB 4.435 23.556 19.000 0.201 0.000 1.337 133 A HN 0.040 8.218 8.150 0.046 0.000 0.423 134 E N -0.988 119.131 120.200 -0.136 0.000 2.317 134 E HA 0.673 5.083 4.350 -0.164 -0.158 0.270 134 E C -1.975 174.441 176.600 -0.307 0.000 0.885 134 E CA -1.705 54.581 56.400 -0.190 0.000 0.760 134 E CB 3.937 33.541 29.700 -0.160 0.000 1.227 134 E HN 0.282 8.565 8.360 -0.128 0.000 0.434 135 L N 3.023 124.083 121.223 -0.271 0.000 2.439 135 L HA 0.283 4.465 4.340 -0.262 0.000 0.270 135 L C -1.976 174.814 176.870 -0.133 0.000 0.972 135 L CA -1.055 53.633 54.840 -0.254 0.000 0.836 135 L CB 2.694 44.563 42.059 -0.316 0.000 1.255 135 L HN -0.118 7.984 8.230 -0.213 0.000 0.404 136 G N 1.378 110.124 108.800 -0.091 0.000 2.587 136 G HA2 -0.281 3.782 3.960 -0.040 0.000 0.686 136 G HA3 -0.281 3.642 3.960 -0.062 0.000 0.686 136 G C -2.152 172.713 174.900 -0.060 0.000 1.236 136 G CA -0.704 44.361 45.100 -0.059 0.000 0.820 136 G HN 0.030 8.269 8.290 -0.085 0.000 0.645 137 R N -0.441 120.031 120.500 -0.046 0.000 2.404 137 R HA 0.152 4.461 4.340 -0.052 0.000 0.291 137 R C -0.303 175.951 176.300 -0.077 0.000 1.025 137 R CA -0.863 55.206 56.100 -0.051 0.000 0.991 137 R CB 1.490 31.771 30.300 -0.032 0.000 1.053 137 R HN -0.277 7.971 8.270 -0.037 0.000 0.479 138 L N 6.093 127.249 121.223 -0.110 0.000 2.466 138 L HA 0.091 4.349 4.340 -0.137 0.000 0.248 138 L C -1.525 175.255 176.870 -0.150 0.000 1.240 138 L CA -0.331 54.414 54.840 -0.159 0.000 1.180 138 L CB -0.600 41.294 42.059 -0.275 0.000 1.413 138 L HN 0.405 8.569 8.230 -0.110 0.000 0.406 139 M N 0.974 120.512 119.600 -0.103 0.000 2.775 139 M HA 0.260 4.670 4.480 -0.116 0.000 0.296 139 M C -0.506 175.751 176.300 -0.071 0.000 1.248 139 M CA -2.212 53.032 55.300 -0.092 0.000 0.800 139 M CB 3.655 36.217 32.600 -0.063 0.000 1.765 139 M HN -0.679 7.519 8.290 -0.085 0.042 0.472 140 G N -0.939 107.825 108.800 -0.060 0.000 2.608 140 G HA2 -0.007 4.181 3.960 0.011 0.000 0.212 140 G HA3 -0.007 3.961 3.960 0.013 0.000 0.212 140 G C -0.242 174.680 174.900 0.037 0.000 1.572 140 G CA -0.343 44.758 45.100 0.001 0.000 1.064 140 G HN 0.149 8.399 8.290 -0.066 0.000 0.556 153 V N 0.081 119.990 119.914 -0.009 0.000 2.229 153 V HA -0.207 3.907 4.120 -0.010 0.000 0.243 153 V C 0.704 176.785 176.094 -0.020 0.000 1.042 153 V CA 0.953 63.245 62.300 -0.013 0.000 1.000 153 V CB 0.289 32.102 31.823 -0.017 0.000 0.637 153 V HN -0.208 7.976 8.190 -0.009 0.000 0.446 154 L N -3.486 117.723 121.223 -0.023 0.000 2.473 154 L HA -0.190 4.128 4.340 -0.037 0.000 0.265 154 L C 0.192 177.046 176.870 -0.027 0.000 1.243 154 L CA -0.393 54.428 54.840 -0.030 0.000 0.822 154 L CB -0.134 41.906 42.059 -0.032 0.000 1.101 154 L HN -0.673 7.544 8.230 -0.021 0.000 0.507 155 V N 0.090 119.984 119.914 -0.033 0.000 2.694 155 V HA -0.228 3.871 4.120 -0.034 0.000 0.306 155 V C -1.525 174.559 176.094 -0.016 0.000 1.054 155 V CA 0.442 62.724 62.300 -0.030 0.000 1.161 155 V CB 1.185 32.986 31.823 -0.036 0.000 0.916 155 V HN -0.252 7.915 8.190 -0.038 0.000 0.490 156 N N 8.891 127.588 118.700 -0.005 0.000 2.439 156 N HA 0.259 4.994 4.740 -0.008 0.000 0.249 156 N C -1.105 174.410 175.510 0.008 0.000 1.003 156 N CA -3.234 49.814 53.050 -0.003 0.000 0.942 156 N CB 0.664 39.145 38.487 -0.010 0.000 1.115 156 N HN 0.394 8.774 8.380 0.000 0.000 0.505 157 P HA -0.286 4.146 4.420 0.021 0.000 0.216 157 P C 0.949 178.266 177.300 0.028 0.000 1.150 157 P CA 2.243 65.354 63.100 0.018 0.000 0.843 157 P CB 0.396 32.104 31.700 0.013 0.000 0.787 158 K N -3.940 116.468 120.400 0.013 0.000 2.097 158 K HA -0.190 4.143 4.320 0.021 0.000 0.205 158 K C 2.554 179.167 176.600 0.022 0.000 1.050 158 K CA 2.085 58.378 56.287 0.010 0.000 0.938 158 K CB -0.755 31.734 32.500 -0.018 0.000 0.718 158 K HN -0.503 7.876 8.250 0.002 -0.128 0.442 159 E N -0.494 119.714 120.200 0.013 0.000 2.085 159 E HA -0.356 3.957 4.350 -0.060 0.000 0.194 159 E C 2.294 179.071 176.600 0.294 0.000 0.994 159 E CA 3.208 59.654 56.400 0.077 0.000 0.801 159 E CB -0.170 29.584 29.700 0.090 0.000 0.743 159 E HN -0.568 8.038 8.360 -0.002 -0.247 0.453 160 A N -1.199 121.722 122.820 0.169 0.000 1.898 160 A HA -0.266 4.156 4.320 0.171 0.000 0.216 160 A C 1.672 179.378 177.584 0.203 0.000 1.181 160 A CA 3.228 55.361 52.037 0.160 0.000 0.620 160 A CB -0.982 18.055 19.000 0.062 0.000 0.819 160 A HN -0.181 7.944 8.150 0.103 0.087 0.442 161 E N -0.757 119.528 120.200 0.142 0.000 2.049 161 E HA -0.505 3.908 4.350 0.105 0.000 0.198 161 E C 1.926 178.616 176.600 0.151 0.000 1.007 161 E CA 3.274 59.745 56.400 0.118 0.000 0.809 161 E CB -0.232 29.513 29.700 0.075 0.000 0.749 161 E HN -0.487 7.940 8.360 0.112 0.000 0.450 162 Q N -0.858 119.052 119.800 0.184 0.000 2.046 162 Q HA -0.284 4.137 4.340 0.135 0.000 0.200 162 Q C 2.077 178.234 176.000 0.261 0.000 0.975 162 Q CA 2.889 58.813 55.803 0.202 0.000 0.836 162 Q CB -0.077 28.788 28.738 0.211 0.000 0.896 162 Q HN -0.835 7.540 8.270 0.175 0.000 0.428 163 F N 0.585 120.674 119.950 0.232 0.000 2.091 163 F HA -0.435 4.125 4.527 0.055 0.000 0.299 163 F C 1.640 177.457 175.800 0.028 0.000 1.103 163 F CA 3.880 61.941 58.000 0.101 0.000 1.228 163 F CB 0.198 39.238 39.000 0.065 0.000 0.984 163 F HN -0.441 8.211 8.300 0.588 0.000 0.477 164 V N -1.162 118.924 119.914 0.287 0.000 2.307 164 V HA -0.595 3.625 4.120 0.168 0.000 0.245 164 V C 2.251 178.372 176.094 0.045 0.000 1.045 164 V CA 3.841 66.237 62.300 0.160 0.000 1.024 164 V CB -0.072 31.844 31.823 0.156 0.000 0.651 164 V HN -0.082 8.308 8.190 0.333 0.000 0.449 165 K N -1.351 119.081 120.400 0.054 0.000 2.063 165 K HA -0.294 4.043 4.320 0.029 0.000 0.208 165 K C 1.913 178.506 176.600 -0.011 0.000 1.048 165 K CA 3.218 59.522 56.287 0.027 0.000 0.928 165 K CB -0.106 32.418 32.500 0.040 0.000 0.713 165 K HN -0.817 7.484 8.250 0.085 0.000 0.442 166 E N -4.278 115.896 120.200 -0.044 0.000 2.250 166 E HA -0.041 4.277 4.350 -0.054 0.000 0.192 166 E C 0.945 177.450 176.600 -0.158 0.000 0.986 166 E CA 1.574 57.923 56.400 -0.083 0.000 0.849 166 E CB 0.642 30.299 29.700 -0.072 0.000 0.797 166 E HN -0.603 7.735 8.360 -0.037 0.000 0.482 167 S N -3.366 112.182 115.700 -0.252 0.000 2.439 167 S HA -0.054 4.237 4.470 -0.298 0.000 0.224 167 S C 0.606 175.098 174.600 -0.181 0.000 1.029 167 S CA 1.133 59.145 58.200 -0.312 0.000 0.946 167 S CB 2.182 65.034 63.200 -0.580 0.000 0.797 167 S HN -0.547 7.605 8.310 -0.264 0.000 0.504 168 Q N -3.931 115.811 119.800 -0.097 0.000 2.465 168 Q HA -0.425 3.928 4.340 0.021 0.000 0.248 168 Q C -1.161 174.848 176.000 0.015 0.000 0.819 168 Q CA 1.196 56.993 55.803 -0.010 0.000 1.219 168 Q CB -2.385 26.362 28.738 0.014 0.000 1.472 168 Q HN -0.312 7.907 8.270 -0.087 0.000 0.630 169 V N -1.597 118.293 119.914 -0.040 0.000 2.901 169 V HA -0.317 3.755 4.120 -0.080 0.000 0.307 169 V C -0.379 175.720 176.094 0.007 0.000 1.084 169 V CA 1.145 63.426 62.300 -0.032 0.000 1.184 169 V CB 0.497 32.332 31.823 0.019 0.000 0.941 169 V HN -0.773 7.329 8.190 -0.067 0.047 0.493 170 D N 5.694 126.050 120.400 -0.074 0.000 2.183 170 D HA -0.097 4.582 4.640 0.064 0.000 0.205 170 D C -0.420 175.913 176.300 0.054 0.000 0.962 170 D CA 2.662 56.640 54.000 -0.037 0.000 0.849 170 D CB 1.430 42.181 40.800 -0.081 0.000 0.978 170 D HN -0.146 8.127 8.370 -0.162 0.000 0.488 171 Y N -8.734 111.599 120.300 0.056 0.000 2.597 171 Y HA 0.446 5.084 4.550 -0.017 -0.098 0.340 171 Y C -2.329 173.587 175.900 0.028 0.000 1.097 171 Y CA -2.431 55.672 58.100 0.005 0.000 1.037 171 Y CB 2.280 40.712 38.460 -0.047 0.000 1.305 171 Y HN -0.674 7.315 8.280 -0.485 0.000 0.463 172 L N 0.554 121.875 121.223 0.164 0.000 2.386 172 L HA 0.652 5.182 4.340 0.067 -0.150 0.271 172 L C -2.077 174.833 176.870 0.066 0.000 0.993 172 L CA -1.739 53.150 54.840 0.080 0.000 0.819 172 L CB 4.854 46.941 42.059 0.047 0.000 1.294 172 L HN -0.243 8.083 8.230 0.161 0.000 0.414 173 A N 4.458 127.301 122.820 0.039 0.000 2.444 173 A HA 0.863 5.432 4.320 0.081 -0.199 0.332 173 A C -2.995 174.576 177.584 -0.022 0.000 1.430 173 A CA -3.901 48.168 52.037 0.054 0.000 0.975 173 A CB 0.091 19.160 19.000 0.114 0.000 1.147 173 A HN 0.712 8.868 8.150 0.011 0.000 0.524 174 P HA 0.397 4.918 4.420 -0.065 -0.140 0.293 174 P C -1.540 175.741 177.300 -0.031 0.000 1.300 174 P CA -1.706 61.372 63.100 -0.037 0.000 0.792 174 P CB 0.848 32.536 31.700 -0.019 0.000 0.925 175 A N 3.852 126.640 122.820 -0.053 0.000 2.444 175 A HA 0.085 4.375 4.320 -0.049 0.000 0.273 175 A C -0.411 177.145 177.584 -0.047 0.000 1.136 175 A CA -0.109 51.896 52.037 -0.053 0.000 0.799 175 A CB 0.568 19.527 19.000 -0.068 0.000 1.081 175 A HN -0.227 7.883 8.150 -0.065 0.000 0.509 176 I N -1.655 118.887 120.570 -0.047 0.000 4.102 176 I HA 0.326 4.454 4.170 -0.071 0.000 0.325 176 I C -0.594 175.475 176.117 -0.080 0.000 1.471 176 I CA -1.524 59.731 61.300 -0.074 0.000 1.133 176 I CB 0.345 38.286 38.000 -0.099 0.000 1.184 176 I HN 0.266 8.453 8.210 -0.039 0.000 0.451 177 G N -0.842 107.938 108.800 -0.034 0.000 2.273 177 G HA2 -0.303 3.779 3.960 0.014 0.000 0.162 177 G HA3 -0.303 3.679 3.960 0.038 0.000 0.162 177 G C -0.831 174.107 174.900 0.063 0.000 1.006 177 G CA -0.157 44.957 45.100 0.022 0.000 0.704 177 G HN 0.237 8.504 8.290 -0.037 0.000 0.487 178 T N -2.737 111.828 114.554 0.018 0.000 2.816 178 T HA -0.013 4.309 4.350 -0.046 0.000 0.282 178 T C -1.784 172.825 174.700 -0.152 0.000 0.993 178 T CA -1.435 60.645 62.100 -0.034 0.000 0.994 178 T CB 1.459 70.344 68.868 0.029 0.000 1.025 178 T HN -0.560 7.683 8.240 0.005 0.000 0.529 179 S N -1.908 113.661 115.700 -0.219 0.000 2.596 179 S HA 0.304 4.689 4.470 -0.307 -0.099 0.270 179 S C -1.325 173.166 174.600 -0.182 0.000 1.155 179 S CA -1.483 56.567 58.200 -0.250 0.000 0.827 179 S CB 2.396 65.464 63.200 -0.220 0.000 1.130 179 S HN -0.041 8.133 8.310 -0.227 0.000 0.467 180 H N 1.487 120.531 119.070 -0.044 0.000 2.690 180 H HA 0.097 4.647 4.556 -0.010 0.000 0.365 180 H C 0.717 176.016 175.328 -0.048 0.000 1.142 180 H CA 1.294 57.324 56.048 -0.029 0.000 1.417 180 H CB 0.539 30.283 29.762 -0.029 0.000 1.446 180 H HN 0.449 8.570 8.280 -0.265 0.000 0.599 181 G N 0.032 108.883 108.800 0.086 0.000 2.631 181 G HA2 -0.268 3.682 3.960 -0.017 0.000 0.504 181 G HA3 -0.268 3.719 3.960 0.045 0.000 0.504 181 G C -1.164 173.657 174.900 -0.132 0.000 1.306 181 G CA -0.732 44.368 45.100 -0.001 0.000 0.897 181 G HN -0.007 8.341 8.290 0.096 0.000 0.520 182 A N -1.311 121.312 122.820 -0.328 0.000 2.167 182 A HA 0.016 4.069 4.320 -0.445 0.000 0.214 182 A C -0.976 176.120 177.584 -0.814 0.000 1.151 182 A CA 1.496 53.122 52.037 -0.685 0.000 0.735 182 A CB 0.567 18.938 19.000 -1.047 0.000 0.802 182 A HN 0.118 8.094 8.150 -0.290 0.000 0.467 183 F N -5.747 114.163 119.950 -0.068 0.000 2.449 183 F HA 0.190 4.685 4.527 -0.052 0.000 0.329 183 F C -0.173 175.536 175.800 -0.151 0.000 1.245 183 F CA -0.740 57.216 58.000 -0.074 0.000 1.193 183 F CB -1.012 37.958 39.000 -0.050 0.000 1.425 183 F HN -0.506 7.677 8.300 -0.102 0.055 0.544 184 K N -0.384 119.914 120.400 -0.171 0.000 2.211 184 K HA 0.046 4.095 4.320 -0.451 0.000 0.201 184 K C -0.285 175.832 176.600 -0.806 0.000 1.052 184 K CA 1.303 57.245 56.287 -0.575 0.000 0.973 184 K CB 1.306 33.292 32.500 -0.856 0.000 0.766 184 K HN -0.284 7.872 8.250 -0.157 0.000 0.466 185 F N -2.368 117.607 119.950 0.043 0.000 2.561 185 F HA 0.072 4.616 4.527 0.029 0.000 0.313 185 F C -0.702 175.120 175.800 0.036 0.000 1.126 185 F CA -0.923 57.095 58.000 0.029 0.000 0.918 185 F CB 2.512 41.515 39.000 0.006 0.000 1.199 185 F HN -0.687 7.623 8.300 0.016 0.000 0.444 186 K N 4.325 124.849 120.400 0.206 0.000 2.156 186 K HA 0.218 4.612 4.320 0.123 0.000 0.271 186 K C 0.635 177.310 176.600 0.125 0.000 0.995 186 K CA -0.537 55.830 56.287 0.133 0.000 0.890 186 K CB 0.854 33.404 32.500 0.083 0.000 1.073 186 K HN 0.227 8.590 8.250 0.189 0.000 0.454 187 G N 3.265 112.113 108.800 0.081 0.000 2.796 187 G HA2 -0.191 3.786 3.960 0.029 0.000 0.226 187 G HA3 -0.191 3.794 3.960 0.042 0.000 0.226 187 G C -1.613 173.297 174.900 0.016 0.000 1.381 187 G CA -0.760 44.367 45.100 0.044 0.000 0.867 187 G HN -0.123 8.210 8.290 0.072 0.000 0.552 188 E N -0.126 120.055 120.200 -0.032 0.000 2.384 188 E HA 0.038 4.309 4.350 -0.132 0.000 0.266 188 E C -1.409 175.055 176.600 -0.227 0.000 1.012 188 E CA -1.766 54.566 56.400 -0.114 0.000 0.901 188 E CB 0.100 29.746 29.700 -0.091 0.000 0.967 188 E HN -0.051 8.296 8.360 -0.021 0.000 0.435 189 P HA -0.090 3.265 4.420 -1.776 0.000 0.265 189 P C -1.832 175.225 177.300 -0.406 0.000 1.187 189 P CA 0.356 62.793 63.100 -1.105 0.000 0.766 189 P CB 0.531 31.427 31.700 -1.339 0.000 0.820 190 K N 1.160 121.390 120.400 -0.282 0.000 2.535 190 K HA 0.276 4.725 4.320 0.214 0.000 0.251 190 K C -1.840 174.743 176.600 -0.029 0.000 0.942 190 K CA -0.485 55.829 56.287 0.045 0.000 0.798 190 K CB 3.057 35.562 32.500 0.009 0.000 1.267 190 K HN 0.065 7.995 8.250 -0.534 0.000 0.434 191 L N 1.353 122.371 121.223 -0.342 0.000 2.354 191 L HA 0.385 4.657 4.340 -0.284 -0.103 0.264 191 L C -0.799 175.638 176.870 -0.721 0.000 1.008 191 L CA -1.592 52.899 54.840 -0.581 0.000 0.819 191 L CB 3.084 44.571 42.059 -0.954 0.000 1.339 191 L HN 0.039 7.960 8.230 -0.514 0.000 0.420 192 D N 2.281 122.395 120.400 -0.476 0.000 2.563 192 D HA 0.136 4.631 4.640 -0.241 0.000 0.222 192 D C 0.381 176.519 176.300 -0.270 0.000 1.145 192 D CA -1.498 52.326 54.000 -0.292 0.000 1.001 192 D CB -0.946 39.768 40.800 -0.144 0.000 1.049 192 D HN 0.069 8.214 8.370 -0.373 0.000 0.515 193 F N 2.161 122.047 119.950 -0.107 0.000 2.293 193 F HA -0.304 4.167 4.527 -0.093 0.000 0.300 193 F C 1.557 177.319 175.800 -0.062 0.000 1.086 193 F CA 2.736 60.676 58.000 -0.101 0.000 1.375 193 F CB -0.069 38.845 39.000 -0.144 0.000 1.045 193 F HN -0.498 7.593 8.300 -0.348 0.000 0.516 194 E N 0.276 120.535 120.200 0.099 0.000 2.051 194 E HA -0.371 4.016 4.350 0.062 0.000 0.192 194 E C 2.219 178.839 176.600 0.033 0.000 0.991 194 E CA 2.911 59.343 56.400 0.054 0.000 0.799 194 E CB -0.586 29.132 29.700 0.029 0.000 0.748 194 E HN -0.082 8.303 8.360 0.072 0.018 0.449 195 R N -0.643 119.862 120.500 0.009 0.000 2.083 195 R HA -0.319 4.023 4.340 0.003 0.000 0.237 195 R C 2.388 178.697 176.300 0.015 0.000 1.137 195 R CA 3.015 59.115 56.100 0.000 0.000 0.951 195 R CB -0.047 30.239 30.300 -0.024 0.000 0.851 195 R HN -0.782 7.726 8.270 -0.006 -0.242 0.434 196 L N -1.146 120.093 121.223 0.027 0.000 1.990 196 L HA -0.389 3.971 4.340 0.034 0.000 0.213 196 L C 1.761 178.664 176.870 0.055 0.000 1.072 196 L CA 3.286 58.156 54.840 0.051 0.000 0.755 196 L CB -0.363 41.761 42.059 0.108 0.000 0.889 196 L HN -0.470 7.772 8.230 0.020 0.000 0.432 197 Q N -2.357 117.480 119.800 0.061 0.000 2.167 197 Q HA -0.343 4.025 4.340 0.046 0.000 0.202 197 Q C 2.770 178.791 176.000 0.036 0.000 0.970 197 Q CA 3.067 58.897 55.803 0.046 0.000 0.855 197 Q CB -0.083 28.679 28.738 0.040 0.000 0.911 197 Q HN -0.250 8.063 8.270 0.072 0.000 0.438 198 E N 0.604 120.822 120.200 0.031 0.000 2.072 198 E HA -0.250 4.115 4.350 0.025 0.000 0.191 198 E C 2.234 178.851 176.600 0.028 0.000 0.985 198 E CA 2.557 58.972 56.400 0.025 0.000 0.801 198 E CB -0.462 29.250 29.700 0.019 0.000 0.750 198 E HN -0.523 7.856 8.360 0.031 0.000 0.452 199 V N -0.038 119.892 119.914 0.028 0.000 2.343 199 V HA -0.522 3.616 4.120 0.031 0.000 0.247 199 V C 2.183 178.299 176.094 0.037 0.000 1.051 199 V CA 4.283 66.601 62.300 0.030 0.000 1.036 199 V CB -0.242 31.595 31.823 0.023 0.000 0.654 199 V HN -0.183 8.023 8.190 0.026 0.000 0.451 200 K N -0.090 120.334 120.400 0.041 0.000 2.057 200 K HA -0.230 4.118 4.320 0.048 0.000 0.206 200 K C 1.857 178.490 176.600 0.055 0.000 1.050 200 K CA 2.418 58.736 56.287 0.050 0.000 0.935 200 K CB -0.487 32.047 32.500 0.058 0.000 0.715 200 K HN -0.324 7.950 8.250 0.040 0.000 0.439 201 R N -0.691 119.836 120.500 0.045 0.000 2.096 201 R HA -0.214 4.154 4.340 0.047 0.000 0.235 201 R C 2.102 178.428 176.300 0.042 0.000 1.127 201 R CA 2.896 59.021 56.100 0.042 0.000 0.968 201 R CB -0.157 30.162 30.300 0.032 0.000 0.861 201 R HN -0.621 7.673 8.270 0.041 0.000 0.440 202 L N -5.267 115.980 121.223 0.040 0.000 2.270 202 L HA -0.031 4.332 4.340 0.038 0.000 0.210 202 L C 1.499 178.398 176.870 0.048 0.000 1.104 202 L CA 1.918 56.783 54.840 0.041 0.000 0.804 202 L CB 0.411 42.494 42.059 0.041 0.000 0.937 202 L HN -0.558 7.696 8.230 0.039 0.000 0.450 203 T N -6.394 108.189 114.554 0.048 0.000 3.042 203 T HA -0.040 4.342 4.350 0.053 0.000 0.245 203 T C 0.851 175.570 174.700 0.030 0.000 1.029 203 T CA 0.323 62.451 62.100 0.046 0.000 1.120 203 T CB 2.085 70.982 68.868 0.048 0.000 0.917 203 T HN -0.499 7.769 8.240 0.046 0.000 0.467 204 N N 1.052 119.773 118.700 0.035 0.000 2.721 204 N HA -0.380 4.475 4.740 0.107 -0.051 0.249 204 N C -1.524 173.921 175.510 -0.108 0.000 1.072 204 N CA 1.395 54.472 53.050 0.046 0.000 0.710 204 N CB -1.008 37.527 38.487 0.080 0.000 0.993 204 N HN -0.187 8.221 8.380 0.046 0.000 0.547 205 I N -8.990 111.473 120.570 -0.178 0.000 3.067 205 I HA 0.645 4.535 4.170 -0.466 0.000 0.312 205 I C -2.245 173.655 176.117 -0.362 0.000 1.073 205 I CA -3.838 57.276 61.300 -0.310 0.000 1.016 205 I CB 1.059 39.011 38.000 -0.079 0.000 1.227 205 I HN -0.970 7.164 8.210 -0.093 0.021 0.456 206 P HA 0.181 4.736 4.420 -0.152 -0.226 0.268 206 P C -1.139 176.134 177.300 -0.046 0.000 1.205 206 P CA -0.062 62.943 63.100 -0.159 0.000 0.771 206 P CB 0.284 31.894 31.700 -0.150 0.000 0.858 207 L N 0.650 121.843 121.223 -0.051 0.000 2.333 207 L HA 0.731 5.246 4.340 0.019 -0.163 0.269 207 L C -0.645 176.191 176.870 -0.057 0.000 1.010 207 L CA -1.459 53.372 54.840 -0.015 0.000 0.818 207 L CB 4.235 46.297 42.059 0.005 0.000 1.306 207 L HN -0.521 7.830 8.230 -0.061 -0.158 0.430 208 V N -0.050 119.853 119.914 -0.017 0.000 2.487 208 V HA 0.479 4.696 4.120 -0.141 -0.182 0.298 208 V C -1.490 174.617 176.094 0.021 0.000 1.028 208 V CA -1.397 60.871 62.300 -0.053 0.000 0.860 208 V CB 2.612 34.426 31.823 -0.014 0.000 0.991 208 V HN 0.420 8.624 8.190 0.023 0.000 0.427 209 L N 7.982 129.190 121.223 -0.026 0.000 2.255 209 L HA 0.435 4.823 4.340 0.080 0.000 0.289 209 L C -1.925 174.955 176.870 0.018 0.000 1.046 209 L CA -1.712 53.148 54.840 0.034 0.000 0.816 209 L CB 1.929 44.007 42.059 0.031 0.000 1.197 209 L HN 0.273 8.453 8.230 -0.085 0.000 0.427 210 H N 5.781 124.860 119.070 0.015 0.000 2.508 210 H HA 0.075 4.694 4.556 0.105 0.000 0.358 210 H C 0.487 175.847 175.328 0.053 0.000 1.212 210 H CA 0.961 57.057 56.048 0.079 0.000 1.356 210 H CB 2.152 32.002 29.762 0.145 0.000 1.525 210 H HN 0.517 8.990 8.280 0.321 0.000 0.578 211 G N -1.539 107.415 108.800 0.256 0.000 2.338 211 G HA2 -0.468 3.633 3.960 0.234 0.000 0.296 211 G HA3 -0.468 3.667 3.960 0.055 -0.142 0.296 211 G C -1.039 173.917 174.900 0.094 0.000 1.040 211 G CA 0.585 45.779 45.100 0.156 0.000 1.004 211 G HN 0.808 9.335 8.290 0.395 0.000 0.509 212 A N -2.360 120.514 122.820 0.090 0.000 2.387 212 A HA 0.167 4.558 4.320 0.119 0.000 0.234 212 A C -0.669 176.974 177.584 0.100 0.000 1.253 212 A CA -0.851 51.241 52.037 0.092 0.000 0.894 212 A CB 0.959 19.991 19.000 0.052 0.000 0.963 212 A HN -0.677 7.523 8.150 0.083 0.000 0.508 213 S N -1.905 113.844 115.700 0.080 0.000 2.560 213 S HA -0.222 4.406 4.470 0.102 -0.097 0.284 213 S C 0.074 174.717 174.600 0.071 0.000 1.327 213 S CA 0.689 58.935 58.200 0.076 0.000 1.055 213 S CB 0.837 64.058 63.200 0.036 0.000 0.868 213 S HN -0.613 7.740 8.310 0.072 0.000 0.506 214 A N 4.591 127.456 122.820 0.074 0.000 2.197 214 A HA 0.334 4.882 4.320 -0.005 -0.231 0.210 214 A C -0.152 177.372 177.584 -0.100 0.000 1.180 214 A CA -0.772 51.258 52.037 -0.011 0.000 0.846 214 A CB 1.433 20.429 19.000 -0.007 0.000 0.884 214 A HN 0.464 9.103 8.150 0.106 -0.425 0.487 215 I N -2.368 118.169 120.570 -0.056 0.000 6.400 215 I HA -0.439 3.765 4.170 -0.057 -0.068 0.126 215 I C -2.971 173.082 176.117 -0.106 0.000 1.494 215 I CA -0.350 60.901 61.300 -0.081 0.000 2.484 215 I CB -2.042 35.886 38.000 -0.121 0.000 2.837 215 I HN -0.266 8.376 8.210 -0.019 -0.443 0.286 216 P HA 0.064 4.352 4.420 -0.220 0.000 0.269 216 P C -0.190 177.096 177.300 -0.023 0.000 1.209 216 P CA -0.332 62.737 63.100 -0.052 0.000 0.776 216 P CB 0.702 32.506 31.700 0.173 0.000 0.876 217 D N 2.337 122.717 120.400 -0.033 0.000 2.133 217 D HA -0.401 4.226 4.640 -0.020 0.000 0.195 217 D C 1.516 177.834 176.300 0.029 0.000 0.997 217 D CA 4.229 58.225 54.000 -0.007 0.000 0.840 217 D CB -0.230 40.567 40.800 -0.004 0.000 0.947 217 D HN 0.468 8.803 8.370 -0.058 0.000 0.452 218 N N -1.252 117.480 118.700 0.053 0.000 2.270 218 N HA -0.217 4.552 4.740 0.049 0.000 0.181 218 N C 2.154 177.702 175.510 0.064 0.000 1.016 218 N CA 2.843 55.927 53.050 0.058 0.000 0.870 218 N CB -1.005 37.521 38.487 0.065 0.000 0.979 218 N HN 0.462 8.873 8.380 0.069 0.011 0.431 219 V N 2.268 122.222 119.914 0.068 0.000 2.307 219 V HA -0.507 3.664 4.120 0.085 0.000 0.245 219 V C 1.630 177.774 176.094 0.083 0.000 1.045 219 V CA 3.963 66.308 62.300 0.074 0.000 1.024 219 V CB -0.207 31.653 31.823 0.061 0.000 0.651 219 V HN -0.947 7.284 8.190 0.069 0.000 0.449 220 R N -0.606 119.925 120.500 0.053 0.000 2.083 220 R HA -0.426 3.961 4.340 0.077 0.000 0.237 220 R C 1.628 177.992 176.300 0.107 0.000 1.137 220 R CA 3.827 59.968 56.100 0.068 0.000 0.951 220 R CB -0.290 30.025 30.300 0.025 0.000 0.851 220 R HN -0.152 8.137 8.270 0.032 0.000 0.434 221 K N -1.323 119.121 120.400 0.074 0.000 2.063 221 K HA -0.320 4.036 4.320 0.060 0.000 0.208 221 K C 2.152 178.796 176.600 0.074 0.000 1.048 221 K CA 3.528 59.853 56.287 0.064 0.000 0.928 221 K CB -0.300 32.227 32.500 0.044 0.000 0.713 221 K HN -0.154 8.131 8.250 0.058 0.000 0.442 222 S N -0.689 115.063 115.700 0.087 0.000 2.368 222 S HA -0.317 4.185 4.470 0.053 0.000 0.225 222 S C 1.935 176.601 174.600 0.108 0.000 1.030 222 S CA 3.555 61.806 58.200 0.084 0.000 0.999 222 S CB 0.092 63.346 63.200 0.090 0.000 0.844 222 S HN -0.455 7.908 8.310 0.088 0.000 0.459 223 Y N 2.795 123.112 120.300 0.028 0.000 2.220 223 Y HA -0.361 4.214 4.550 0.040 0.000 0.291 223 Y C 1.599 177.519 175.900 0.033 0.000 1.129 223 Y CA 3.811 61.932 58.100 0.035 0.000 1.161 223 Y CB 0.186 38.668 38.460 0.036 0.000 0.997 223 Y HN -0.583 7.861 8.280 0.274 0.000 0.522 224 L N -1.184 120.112 121.223 0.122 0.000 2.046 224 L HA -0.346 4.180 4.340 0.026 -0.170 0.208 224 L C 2.853 179.712 176.870 -0.018 0.000 1.077 224 L CA 2.721 57.587 54.840 0.044 0.000 0.747 224 L CB -0.579 41.528 42.059 0.080 0.000 0.896 224 L HN 0.022 8.363 8.230 0.185 0.000 0.432 225 D N -0.020 120.378 120.400 -0.003 0.000 2.182 225 D HA -0.237 4.397 4.640 -0.010 0.000 0.201 225 D C 1.145 177.418 176.300 -0.045 0.000 0.986 225 D CA 2.685 56.676 54.000 -0.015 0.000 0.847 225 D CB -0.491 40.308 40.800 -0.001 0.000 0.942 225 D HN -0.033 8.349 8.370 0.020 0.000 0.467 226 A N -3.722 119.049 122.820 -0.082 0.000 2.276 226 A HA 0.100 4.377 4.320 -0.072 0.000 0.212 226 A C 0.146 177.644 177.584 -0.143 0.000 1.230 226 A CA -0.093 51.879 52.037 -0.107 0.000 0.844 226 A CB -0.058 18.870 19.000 -0.121 0.000 0.860 226 A HN -0.710 7.370 8.150 -0.090 0.016 0.486 227 G N -3.242 105.477 108.800 -0.135 0.000 2.175 227 G HA2 -0.279 3.638 3.960 -0.072 0.000 0.244 227 G HA3 -0.279 3.625 3.960 -0.093 0.000 0.244 227 G C 0.353 175.153 174.900 -0.167 0.000 0.982 227 G CA -0.354 44.678 45.100 -0.113 0.000 0.641 227 G HN -0.382 7.660 8.290 -0.114 0.180 0.527 228 G N 0.822 109.405 108.800 -0.362 0.000 2.606 228 G HA2 -0.094 3.660 3.960 -0.343 0.000 0.252 228 G HA3 -0.094 3.188 3.960 -1.217 -0.053 0.252 228 G C -2.112 172.785 174.900 -0.004 0.000 1.206 228 G CA -0.696 44.119 45.100 -0.474 0.000 0.861 228 G HN -0.380 7.600 8.290 -0.443 0.044 0.561 229 D N -1.425 119.114 120.400 0.232 0.000 2.492 229 D HA 0.193 4.941 4.640 0.180 0.000 0.248 229 D C -0.815 175.679 176.300 0.324 0.000 1.101 229 D CA -0.690 53.449 54.000 0.231 0.000 0.840 229 D CB 1.077 41.971 40.800 0.156 0.000 1.209 229 D HN 0.088 8.657 8.370 0.332 0.000 0.524 230 L N 4.192 125.571 121.223 0.261 0.000 3.347 230 L HA 0.134 4.615 4.340 0.236 0.000 0.306 230 L C -0.992 176.021 176.870 0.237 0.000 1.301 230 L CA -1.110 53.857 54.840 0.212 0.000 0.985 230 L CB 0.672 42.790 42.059 0.097 0.000 1.400 230 L HN 0.288 8.651 8.230 0.222 0.000 0.601 231 K N 1.871 122.408 120.400 0.229 0.000 2.473 231 K HA -0.280 4.126 4.320 0.143 0.000 0.277 231 K C 0.785 177.544 176.600 0.265 0.000 1.052 231 K CA 2.175 58.570 56.287 0.181 0.000 1.114 231 K CB 0.266 32.833 32.500 0.112 0.000 0.869 231 K HN -0.574 8.096 8.250 0.209 -0.294 0.481 232 G N 4.508 113.431 108.800 0.205 0.000 2.179 232 G HA2 -0.290 3.761 3.960 0.151 0.000 0.260 232 G HA3 -0.290 3.789 3.960 0.198 0.000 0.260 232 G C -0.273 174.834 174.900 0.345 0.000 0.977 232 G CA 0.298 45.531 45.100 0.222 0.000 0.641 232 G HN 0.412 8.793 8.290 0.153 0.000 0.533 233 S N 0.895 116.760 115.700 0.276 0.000 2.576 233 S HA -0.036 4.498 4.470 -0.012 -0.071 0.276 233 S C -0.646 173.944 174.600 -0.018 0.000 1.339 233 S CA -0.162 58.017 58.200 -0.035 0.000 1.039 233 S CB 1.300 64.254 63.200 -0.410 0.000 0.902 233 S HN -0.526 7.877 8.310 0.236 0.049 0.516 234 K N 2.626 122.998 120.400 -0.047 0.000 2.571 234 K HA 0.276 4.591 4.320 -0.009 0.000 0.252 234 K C -1.555 175.066 176.600 0.035 0.000 0.956 234 K CA -0.250 56.052 56.287 0.026 0.000 0.822 234 K CB 3.754 36.338 32.500 0.140 0.000 1.286 234 K HN 0.186 8.371 8.250 -0.108 0.000 0.439 235 G N 2.681 111.495 108.800 0.022 0.000 2.753 235 G HA2 0.613 4.603 3.960 0.050 0.000 0.285 235 G HA3 0.613 4.651 3.960 -0.003 -0.079 0.285 235 G C -1.239 173.770 174.900 0.183 0.000 1.344 235 G CA -1.984 43.151 45.100 0.059 0.000 1.050 235 G HN -0.219 8.057 8.290 -0.023 0.000 0.532 236 V N 1.818 121.852 119.914 0.200 0.000 2.479 236 V HA 0.027 4.315 4.120 0.280 0.000 0.281 236 V C -1.316 174.778 176.094 -0.001 0.000 1.031 236 V CA -1.826 60.602 62.300 0.213 0.000 1.038 236 V CB 0.107 32.103 31.823 0.288 0.000 0.981 236 V HN -0.037 8.250 8.190 0.162 0.000 0.478 237 P HA -0.033 4.180 4.420 -0.346 0.000 0.266 237 P C 0.035 177.339 177.300 0.006 0.000 1.193 237 P CA 0.062 62.999 63.100 -0.271 0.000 0.770 237 P CB 0.653 32.041 31.700 -0.521 0.000 0.836 238 F N 2.795 122.755 119.950 0.017 0.000 2.120 238 F HA -0.452 4.118 4.527 0.071 0.000 0.300 238 F C 1.866 177.722 175.800 0.094 0.000 1.095 238 F CA 3.565 61.599 58.000 0.056 0.000 1.249 238 F CB -0.711 38.309 39.000 0.033 0.000 0.995 238 F HN 0.439 8.574 8.300 -0.275 0.000 0.480 239 E N -1.399 118.967 120.200 0.278 0.000 2.118 239 E HA -0.271 4.195 4.350 0.193 0.000 0.195 239 E C 2.597 179.409 176.600 0.353 0.000 0.992 239 E CA 3.361 59.907 56.400 0.245 0.000 0.804 239 E CB -0.814 29.005 29.700 0.198 0.000 0.741 239 E HN 0.417 8.895 8.360 0.211 0.008 0.458 240 F N -0.898 119.128 119.950 0.127 0.000 2.186 240 F HA -0.219 4.456 4.527 0.246 0.000 0.299 240 F C 1.983 177.913 175.800 0.217 0.000 1.090 240 F CA 1.514 59.649 58.000 0.226 0.000 1.307 240 F CB -0.440 38.714 39.000 0.255 0.000 1.019 240 F HN -0.710 7.804 8.300 0.502 0.088 0.489 241 L N -1.412 120.036 121.223 0.376 0.000 2.046 241 L HA -0.501 3.990 4.340 0.252 0.000 0.208 241 L C 2.250 179.212 176.870 0.152 0.000 1.077 241 L CA 3.393 58.384 54.840 0.251 0.000 0.747 241 L CB -0.817 41.386 42.059 0.240 0.000 0.896 241 L HN -0.574 7.887 8.230 0.385 0.000 0.432 242 Q N -1.906 117.972 119.800 0.130 0.000 2.124 242 Q HA -0.404 3.962 4.340 0.044 0.000 0.202 242 Q C 2.802 178.787 176.000 -0.025 0.000 0.977 242 Q CA 3.449 59.282 55.803 0.051 0.000 0.850 242 Q CB -0.256 28.511 28.738 0.048 0.000 0.901 242 Q HN -0.376 7.996 8.270 0.171 0.000 0.429 243 E N -0.782 119.362 120.200 -0.092 0.000 2.152 243 E HA -0.207 3.953 4.350 -0.317 0.000 0.192 243 E C 2.642 179.052 176.600 -0.318 0.000 0.983 243 E CA 2.577 58.757 56.400 -0.367 0.000 0.818 243 E CB -0.324 28.881 29.700 -0.826 0.000 0.758 243 E HN -0.477 7.769 8.360 -0.026 0.099 0.467 244 S N 0.837 116.518 115.700 -0.033 0.000 2.368 244 S HA -0.227 4.371 4.470 0.214 0.000 0.224 244 S C 2.423 177.050 174.600 0.045 0.000 1.029 244 S CA 3.557 61.837 58.200 0.133 0.000 0.988 244 S CB -0.494 62.836 63.200 0.217 0.000 0.838 244 S HN -0.264 7.990 8.310 0.055 0.089 0.462 245 V N 2.613 122.541 119.914 0.023 0.000 2.343 245 V HA -0.393 3.945 4.120 0.009 -0.213 0.247 245 V C 2.802 178.889 176.094 -0.011 0.000 1.051 245 V CA 3.828 66.134 62.300 0.010 0.000 1.036 245 V CB -0.335 31.503 31.823 0.024 0.000 0.654 245 V HN -0.399 7.809 8.190 0.031 0.000 0.451 246 K N -1.522 118.854 120.400 -0.040 0.000 2.152 246 K HA -0.259 4.037 4.320 -0.039 0.000 0.206 246 K C 1.685 178.255 176.600 -0.050 0.000 1.048 246 K CA 2.585 58.838 56.287 -0.056 0.000 0.933 246 K CB -0.248 32.195 32.500 -0.096 0.000 0.721 246 K HN -0.485 7.733 8.250 -0.052 0.000 0.447 247 G N -5.505 103.268 108.800 -0.045 0.000 2.880 247 G HA2 0.111 4.061 3.960 -0.017 0.000 0.209 247 G HA3 0.111 4.079 3.960 0.014 0.000 0.209 247 G C -0.832 174.084 174.900 0.027 0.000 1.157 247 G CA -0.335 44.761 45.100 -0.006 0.000 0.779 247 G HN -0.521 7.592 8.290 -0.050 0.147 0.539 248 G N -2.279 106.535 108.800 0.023 0.000 2.198 248 G HA2 -0.207 3.778 3.960 0.041 0.000 0.156 248 G HA3 -0.207 3.785 3.960 0.052 0.000 0.156 248 G C -0.712 174.204 174.900 0.028 0.000 1.012 248 G CA -0.556 44.567 45.100 0.039 0.000 0.692 248 G HN -0.641 7.502 8.290 0.011 0.154 0.492 249 I N 1.984 122.564 120.570 0.017 0.000 2.533 249 I HA -0.245 4.037 4.170 -0.018 -0.122 0.284 249 I C -0.924 175.162 176.117 -0.051 0.000 1.109 249 I CA -0.681 60.613 61.300 -0.010 0.000 1.412 249 I CB -1.909 36.099 38.000 0.013 0.000 1.396 249 I HN -0.244 7.982 8.210 0.027 0.000 0.543 250 N N 6.556 125.191 118.700 -0.108 0.000 2.210 250 N HA 0.255 5.063 4.740 -0.146 -0.155 0.203 250 N C -0.847 174.510 175.510 -0.255 0.000 1.175 250 N CA 0.450 53.397 53.050 -0.171 0.000 0.894 250 N CB 3.126 41.502 38.487 -0.187 0.000 1.041 250 N HN 0.622 8.931 8.380 -0.119 0.000 0.506 251 K N 1.228 121.446 120.400 -0.303 0.000 2.426 251 K HA 0.646 4.899 4.320 -0.450 -0.203 0.254 251 K C -2.600 173.804 176.600 -0.326 0.000 0.936 251 K CA -1.136 54.888 56.287 -0.440 0.000 0.801 251 K CB 3.456 35.534 32.500 -0.704 0.000 1.139 251 K HN -0.620 7.479 8.250 -0.252 0.000 0.424 252 V N 7.314 127.036 119.914 -0.320 0.000 2.325 252 V HA 0.323 4.329 4.120 -0.189 0.000 0.280 252 V C -1.397 174.509 176.094 -0.314 0.000 1.016 252 V CA -1.527 60.630 62.300 -0.238 0.000 0.818 252 V CB 1.380 33.119 31.823 -0.140 0.000 1.019 252 V HN 0.239 8.213 8.190 -0.360 0.000 0.434 253 N N 9.079 127.605 118.700 -0.289 0.000 2.475 253 N HA 0.178 4.886 4.740 -0.326 -0.164 0.267 253 N C -0.967 174.453 175.510 -0.150 0.000 1.169 253 N CA 0.484 53.368 53.050 -0.276 0.000 0.947 253 N CB 0.725 39.011 38.487 -0.334 0.000 1.061 253 N HN 0.297 8.513 8.380 -0.272 0.000 0.466 254 T N 4.986 119.448 114.554 -0.153 0.000 2.937 254 T HA 0.301 4.667 4.350 0.027 0.000 0.297 254 T C -2.221 172.533 174.700 0.090 0.000 0.991 254 T CA 0.080 62.178 62.100 -0.004 0.000 0.990 254 T CB 2.504 71.402 68.868 0.049 0.000 0.991 254 T HN 0.248 8.357 8.240 -0.217 0.000 0.440 255 D N 5.715 126.164 120.400 0.081 0.000 2.971 255 D HA 0.235 4.935 4.640 0.100 0.000 0.221 255 D C 0.799 177.124 176.300 0.040 0.000 1.406 255 D CA 1.657 55.698 54.000 0.068 0.000 1.328 255 D CB 1.093 41.907 40.800 0.024 0.000 1.369 255 D HN -0.260 8.150 8.370 0.067 0.000 0.364 256 T N 3.229 117.790 114.554 0.012 0.000 2.665 256 T HA -0.445 3.880 4.350 -0.042 0.000 0.268 256 T C 1.811 176.500 174.700 -0.018 0.000 1.035 256 T CA 5.186 67.270 62.100 -0.027 0.000 1.151 256 T CB -0.257 68.576 68.868 -0.058 0.000 0.862 256 T HN -0.094 8.154 8.240 0.015 0.000 0.438 257 D N 0.817 121.231 120.400 0.022 0.000 2.133 257 D HA -0.232 4.413 4.640 0.007 0.000 0.195 257 D C 2.212 178.549 176.300 0.061 0.000 0.997 257 D CA 3.330 57.355 54.000 0.041 0.000 0.840 257 D CB -0.433 40.426 40.800 0.097 0.000 0.947 257 D HN -0.488 7.906 8.370 0.040 0.000 0.452 258 L N -1.440 119.834 121.223 0.084 0.000 2.027 258 L HA -0.284 4.115 4.340 0.099 0.000 0.206 258 L C 1.985 178.913 176.870 0.097 0.000 1.074 258 L CA 3.036 57.931 54.840 0.092 0.000 0.745 258 L CB -0.634 41.480 42.059 0.091 0.000 0.898 258 L HN -0.648 7.631 8.230 0.095 0.008 0.433 259 R N -0.986 119.541 120.500 0.044 0.000 2.073 259 R HA -0.362 3.999 4.340 0.035 0.000 0.234 259 R C 2.728 179.086 176.300 0.097 0.000 1.134 259 R CA 3.616 59.741 56.100 0.041 0.000 0.952 259 R CB -0.228 30.058 30.300 -0.023 0.000 0.850 259 R HN -0.775 7.509 8.270 0.024 0.000 0.433 260 I N -0.942 119.628 120.570 0.001 0.000 2.226 260 I HA -0.467 3.612 4.170 -0.151 0.000 0.245 260 I C 1.625 177.805 176.117 0.105 0.000 1.100 260 I CA 3.791 65.041 61.300 -0.084 0.000 1.374 260 I CB -0.290 37.557 38.000 -0.255 0.000 1.057 260 I HN -0.326 7.868 8.210 -0.028 0.000 0.413 261 A N -0.239 122.654 122.820 0.121 0.000 1.933 261 A HA -0.299 4.108 4.320 0.145 0.000 0.218 261 A C 1.697 179.401 177.584 0.201 0.000 1.175 261 A CA 2.933 55.061 52.037 0.151 0.000 0.628 261 A CB -0.793 18.278 19.000 0.118 0.000 0.814 261 A HN -0.516 7.691 8.150 0.094 0.000 0.444 262 F N 0.138 120.141 119.950 0.089 0.000 2.084 262 F HA -0.287 4.304 4.527 0.108 0.000 0.296 262 F C 1.432 177.331 175.800 0.164 0.000 1.111 262 F CA 3.348 61.413 58.000 0.108 0.000 1.224 262 F CB 1.008 40.052 39.000 0.072 0.000 0.991 262 F HN -0.621 7.896 8.300 0.362 0.000 0.471 263 I N -2.282 118.553 120.570 0.441 0.000 2.546 263 I HA -0.448 3.961 4.170 0.398 0.000 0.255 263 I C 1.808 178.110 176.117 0.309 0.000 1.163 263 I CA 0.972 62.510 61.300 0.396 0.000 1.457 263 I CB -1.589 36.660 38.000 0.415 0.000 1.092 263 I HN 0.009 8.482 8.210 0.440 0.000 0.434 264 A N 0.186 123.220 122.820 0.356 0.000 1.917 264 A HA -0.388 4.026 4.320 0.157 0.000 0.219 264 A C 1.784 179.421 177.584 0.088 0.000 1.182 264 A CA 3.722 55.901 52.037 0.237 0.000 0.633 264 A CB -0.889 18.283 19.000 0.287 0.000 0.819 264 A HN 0.139 8.526 8.150 0.396 0.000 0.448 265 E N -2.228 118.005 120.200 0.054 0.000 2.152 265 E HA -0.212 4.130 4.350 -0.013 0.000 0.192 265 E C 2.496 179.100 176.600 0.007 0.000 0.983 265 E CA 2.250 58.642 56.400 -0.013 0.000 0.818 265 E CB -0.453 29.201 29.700 -0.077 0.000 0.758 265 E HN -0.587 7.808 8.360 0.059 0.000 0.467 266 V N 0.678 120.636 119.914 0.073 0.000 2.358 266 V HA -0.514 3.780 4.120 0.290 0.000 0.246 266 V C 1.963 178.189 176.094 0.220 0.000 1.047 266 V CA 4.565 67.003 62.300 0.230 0.000 1.035 266 V CB -0.333 31.683 31.823 0.320 0.000 0.658 266 V HN -0.720 7.426 8.190 0.066 0.084 0.452 267 R N -1.394 119.183 120.500 0.128 0.000 2.081 267 R HA -0.396 4.002 4.340 0.096 0.000 0.235 267 R C 2.045 178.361 176.300 0.026 0.000 1.131 267 R CA 3.989 60.128 56.100 0.064 0.000 0.960 267 R CB -0.376 29.902 30.300 -0.036 0.000 0.856 267 R HN -0.120 8.222 8.270 0.120 0.000 0.436 268 K N -0.186 120.210 120.400 -0.006 0.000 2.063 268 K HA -0.296 4.000 4.320 -0.040 0.000 0.208 268 K C 2.232 178.790 176.600 -0.070 0.000 1.048 268 K CA 3.292 59.556 56.287 -0.039 0.000 0.928 268 K CB -0.249 32.224 32.500 -0.044 0.000 0.713 268 K HN -0.596 7.654 8.250 -0.000 0.000 0.442 269 V N -0.799 119.048 119.914 -0.111 0.000 2.295 269 V HA -0.499 3.457 4.120 -0.273 0.000 0.246 269 V C 1.608 177.574 176.094 -0.214 0.000 1.049 269 V CA 3.942 66.069 62.300 -0.289 0.000 1.024 269 V CB -0.082 31.356 31.823 -0.641 0.000 0.648 269 V HN -0.472 7.671 8.190 -0.078 0.000 0.447 270 A N -1.313 121.531 122.820 0.040 0.000 1.908 270 A HA -0.338 4.136 4.320 0.256 0.000 0.218 270 A C 2.405 180.024 177.584 0.057 0.000 1.181 270 A CA 3.092 55.238 52.037 0.182 0.000 0.627 270 A CB -0.554 18.604 19.000 0.263 0.000 0.818 270 A HN -0.189 8.041 8.150 0.134 0.000 0.445 271 N N -2.557 116.152 118.700 0.016 0.000 2.188 271 N HA -0.233 4.514 4.740 0.010 0.000 0.184 271 N C 1.739 177.236 175.510 -0.022 0.000 1.018 271 N CA 2.344 55.392 53.050 -0.003 0.000 0.858 271 N CB -0.256 38.221 38.487 -0.017 0.000 0.989 271 N HN -0.130 8.249 8.380 0.010 0.007 0.426 272 E N -2.835 117.334 120.200 -0.052 0.000 2.318 272 E HA -0.030 4.292 4.350 -0.046 0.000 0.193 272 E C -0.429 176.131 176.600 -0.067 0.000 0.998 272 E CA 1.014 57.377 56.400 -0.062 0.000 0.859 272 E CB 1.049 30.701 29.700 -0.081 0.000 0.812 272 E HN -0.617 7.702 8.360 -0.068 0.000 0.492 273 D N -0.527 119.827 120.400 -0.076 0.000 2.375 273 D HA 0.164 4.772 4.640 -0.052 0.000 0.241 273 D C 0.095 176.382 176.300 -0.022 0.000 1.361 273 D CA -0.674 53.284 54.000 -0.069 0.000 0.995 273 D CB 0.786 41.512 40.800 -0.123 0.000 1.312 273 D HN -0.652 7.669 8.370 -0.082 0.000 0.576 274 K N 4.618 125.025 120.400 0.012 0.000 2.365 274 K HA -0.084 4.282 4.320 0.076 0.000 0.199 274 K C 0.715 177.370 176.600 0.091 0.000 1.045 274 K CA 1.315 57.636 56.287 0.057 0.000 0.962 274 K CB -0.655 31.873 32.500 0.047 0.000 0.759 274 K HN 0.457 8.709 8.250 0.004 0.000 0.469 275 S N -2.261 113.471 115.700 0.052 0.000 2.575 275 S HA 0.035 4.600 4.470 0.158 0.000 0.215 275 S C -0.148 174.447 174.600 -0.008 0.000 0.966 275 S CA -0.254 57.989 58.200 0.073 0.000 0.911 275 S CB 0.186 63.395 63.200 0.015 0.000 0.780 275 S HN -0.427 8.118 8.310 0.013 -0.227 0.514 276 Q N 3.085 122.881 119.800 -0.006 0.000 2.294 276 Q HA -0.041 4.130 4.340 -0.280 0.000 0.257 276 Q C -0.861 175.247 176.000 0.179 0.000 0.955 276 Q CA 0.062 55.801 55.803 -0.107 0.000 0.936 276 Q CB 0.062 28.674 28.738 -0.210 0.000 1.188 276 Q HN -0.894 7.333 8.270 0.031 0.062 0.420 277 F N 1.060 121.112 119.950 0.171 0.000 2.859 277 F HA 0.334 5.069 4.527 0.347 0.000 0.324 277 F C -1.435 174.455 175.800 0.150 0.000 1.158 277 F CA -2.214 55.910 58.000 0.206 0.000 1.147 277 F CB 0.732 39.789 39.000 0.094 0.000 1.137 277 F HN -0.005 7.923 8.300 -0.621 0.000 0.516 278 D N 3.382 123.832 120.400 0.084 0.000 2.339 278 D HA 0.001 4.716 4.640 0.126 0.000 0.256 278 D C 0.757 177.150 176.300 0.154 0.000 1.214 278 D CA -0.200 53.852 54.000 0.088 0.000 0.877 278 D CB 1.049 41.831 40.800 -0.030 0.000 1.111 278 D HN -0.451 8.169 8.370 -0.069 -0.293 0.478 279 L N 5.775 127.069 121.223 0.119 0.000 2.079 279 L HA -0.403 3.839 4.340 -0.164 0.000 0.210 279 L C 1.572 178.413 176.870 -0.048 0.000 1.081 279 L CA 3.135 57.963 54.840 -0.019 0.000 0.752 279 L CB 0.070 42.206 42.059 0.128 0.000 0.896 279 L HN 0.558 8.867 8.230 0.132 0.000 0.433 280 R N -2.601 117.950 120.500 0.085 0.000 2.120 280 R HA -0.409 4.048 4.340 0.195 0.000 0.234 280 R C 2.393 178.708 176.300 0.026 0.000 1.123 280 R CA 3.535 59.700 56.100 0.109 0.000 0.975 280 R CB -0.508 29.856 30.300 0.106 0.000 0.866 280 R HN -0.346 8.204 8.270 0.099 -0.220 0.446 281 K N -1.667 118.709 120.400 -0.040 0.000 2.211 281 K HA -0.210 4.035 4.320 -0.124 0.000 0.203 281 K C 1.534 177.969 176.600 -0.275 0.000 1.050 281 K CA 2.133 58.325 56.287 -0.159 0.000 0.945 281 K CB -0.536 31.826 32.500 -0.231 0.000 0.732 281 K HN -0.575 7.646 8.250 -0.017 0.019 0.451 282 F N -2.598 117.157 119.950 -0.326 0.000 2.149 282 F HA -0.233 4.139 4.527 -0.258 0.000 0.294 282 F C 1.761 177.406 175.800 -0.259 0.000 1.095 282 F CA 3.810 61.566 58.000 -0.405 0.000 1.276 282 F CB 0.521 39.058 39.000 -0.771 0.000 1.023 282 F HN -0.724 7.477 8.300 -0.009 0.094 0.480 283 F N -3.618 116.426 119.950 0.158 0.000 2.754 283 F HA 0.016 4.466 4.527 -0.127 0.000 0.297 283 F C 1.625 177.427 175.800 0.003 0.000 1.122 283 F CA -0.602 57.426 58.000 0.047 0.000 1.400 283 F CB -1.063 38.069 39.000 0.221 0.000 1.117 283 F HN -0.306 7.947 8.300 -0.079 0.000 0.587 284 S N 1.289 117.081 115.700 0.154 0.000 2.355 284 S HA -0.100 4.445 4.470 0.126 0.000 0.222 284 S C -1.151 173.462 174.600 0.022 0.000 1.031 284 S CA 5.660 63.915 58.200 0.091 0.000 0.993 284 S CB -1.939 61.299 63.200 0.063 0.000 0.859 284 S HN -0.116 8.263 8.310 0.116 0.000 0.453 285 P HA -0.142 4.255 4.420 -0.038 0.000 0.217 285 P C 0.385 177.631 177.300 -0.089 0.000 1.150 285 P CA 2.335 65.402 63.100 -0.055 0.000 0.832 285 P CB -0.498 31.154 31.700 -0.081 0.000 0.787 286 A N -2.327 120.380 122.820 -0.189 0.000 1.877 286 A HA -0.301 3.805 4.320 -0.358 0.000 0.216 286 A C 2.119 179.579 177.584 -0.207 0.000 1.186 286 A CA 3.047 54.804 52.037 -0.467 0.000 0.620 286 A CB -0.752 17.442 19.000 -1.343 0.000 0.822 286 A HN -0.653 7.399 8.150 -0.163 0.000 0.443 287 Q N -1.335 118.450 119.800 -0.025 0.000 2.096 287 Q HA -0.376 4.112 4.340 0.247 0.000 0.204 287 Q C 2.532 178.570 176.000 0.064 0.000 0.982 287 Q CA 3.142 59.023 55.803 0.130 0.000 0.850 287 Q CB -0.080 28.726 28.738 0.114 0.000 0.901 287 Q HN -0.367 7.888 8.270 -0.024 0.000 0.422 288 L N -0.592 120.646 121.223 0.025 0.000 2.017 288 L HA -0.306 4.042 4.340 0.013 0.000 0.208 288 L C 1.012 177.890 176.870 0.013 0.000 1.073 288 L CA 3.017 57.864 54.840 0.013 0.000 0.745 288 L CB -0.486 41.575 42.059 0.003 0.000 0.894 288 L HN -0.512 7.726 8.230 0.013 0.000 0.432 289 A N -1.464 121.365 122.820 0.015 0.000 1.933 289 A HA -0.334 4.001 4.320 0.025 0.000 0.218 289 A C 1.873 179.490 177.584 0.055 0.000 1.175 289 A CA 3.096 55.152 52.037 0.031 0.000 0.628 289 A CB -0.731 18.289 19.000 0.033 0.000 0.814 289 A HN -0.359 7.791 8.150 0.001 0.000 0.444 290 L N -1.199 120.078 121.223 0.091 0.000 2.027 290 L HA -0.387 4.013 4.340 0.100 0.000 0.206 290 L C 1.410 178.282 176.870 0.003 0.000 1.074 290 L CA 2.895 57.794 54.840 0.099 0.000 0.745 290 L CB -0.127 42.057 42.059 0.208 0.000 0.898 290 L HN -0.323 7.971 8.230 0.107 0.000 0.433 291 K N -0.876 119.518 120.400 -0.010 0.000 2.063 291 K HA -0.440 3.811 4.320 -0.114 0.000 0.208 291 K C 2.106 178.661 176.600 -0.075 0.000 1.048 291 K CA 3.418 59.665 56.287 -0.068 0.000 0.928 291 K CB -0.342 32.131 32.500 -0.045 0.000 0.713 291 K HN 0.148 8.408 8.250 0.018 0.000 0.442 292 N N -1.248 117.431 118.700 -0.035 0.000 2.188 292 N HA -0.193 4.522 4.740 -0.041 0.000 0.184 292 N C 2.301 177.795 175.510 -0.026 0.000 1.018 292 N CA 2.690 55.722 53.050 -0.029 0.000 0.858 292 N CB -0.303 38.180 38.487 -0.006 0.000 0.989 292 N HN -0.511 7.860 8.380 -0.015 0.000 0.426 293 V N 1.000 120.910 119.914 -0.007 0.000 2.332 293 V HA -0.495 3.651 4.120 0.042 0.000 0.248 293 V C 1.522 177.600 176.094 -0.027 0.000 1.055 293 V CA 4.519 66.830 62.300 0.018 0.000 1.038 293 V CB -0.029 31.826 31.823 0.054 0.000 0.651 293 V HN -0.623 7.568 8.190 0.002 0.000 0.450 294 V N -0.185 119.646 119.914 -0.139 0.000 2.307 294 V HA -0.594 3.335 4.120 -0.319 0.000 0.245 294 V C 1.645 177.621 176.094 -0.196 0.000 1.045 294 V CA 4.621 66.724 62.300 -0.328 0.000 1.024 294 V CB -0.387 31.050 31.823 -0.643 0.000 0.651 294 V HN -0.525 7.578 8.190 -0.145 0.000 0.449 295 K N -0.186 120.124 120.400 -0.150 0.000 2.032 295 K HA -0.361 3.890 4.320 -0.115 0.000 0.209 295 K C 2.619 179.173 176.600 -0.077 0.000 1.048 295 K CA 3.683 59.906 56.287 -0.106 0.000 0.927 295 K CB -0.299 32.149 32.500 -0.087 0.000 0.712 295 K HN -0.162 8.000 8.250 -0.146 0.000 0.441 296 E N -1.801 118.357 120.200 -0.071 0.000 2.118 296 E HA -0.302 3.985 4.350 -0.105 0.000 0.195 296 E C 2.730 179.267 176.600 -0.105 0.000 0.992 296 E CA 2.682 59.025 56.400 -0.096 0.000 0.804 296 E CB -0.422 29.220 29.700 -0.097 0.000 0.741 296 E HN -0.457 7.865 8.360 -0.063 0.000 0.458 297 R N -0.279 120.205 120.500 -0.026 0.000 2.092 297 R HA -0.187 4.142 4.340 -0.018 0.000 0.231 297 R C 2.469 178.806 176.300 0.060 0.000 1.119 297 R CA 2.146 58.275 56.100 0.047 0.000 0.970 297 R CB -0.525 29.909 30.300 0.223 0.000 0.864 297 R HN -0.504 7.763 8.270 -0.005 0.000 0.440 298 M N -0.705 118.932 119.600 0.061 0.000 2.117 298 M HA -0.389 4.147 4.480 0.093 0.000 0.262 298 M C 2.220 178.507 176.300 -0.021 0.000 1.065 298 M CA 4.261 59.587 55.300 0.044 0.000 1.114 298 M CB -0.054 32.551 32.600 0.007 0.000 1.361 298 M HN -0.155 8.158 8.290 0.037 0.000 0.408 299 K N -1.635 118.733 120.400 -0.054 0.000 2.057 299 K HA -0.340 3.937 4.320 -0.072 0.000 0.206 299 K C 2.801 179.355 176.600 -0.076 0.000 1.050 299 K CA 3.039 59.282 56.287 -0.074 0.000 0.935 299 K CB -0.180 32.269 32.500 -0.086 0.000 0.715 299 K HN -0.648 7.566 8.250 -0.059 0.000 0.439 300 L N -0.670 120.495 121.223 -0.096 0.000 2.046 300 L HA -0.280 3.990 4.340 -0.116 0.000 0.208 300 L C 1.135 177.985 176.870 -0.033 0.000 1.077 300 L CA 2.759 57.536 54.840 -0.105 0.000 0.747 300 L CB 0.069 42.014 42.059 -0.190 0.000 0.896 300 L HN -0.574 7.514 8.230 -0.106 0.079 0.432 301 L N -6.588 114.635 121.223 -0.000 0.000 2.395 301 L HA -0.116 4.249 4.340 0.041 0.000 0.218 301 L C 0.496 177.399 176.870 0.055 0.000 1.130 301 L CA 0.716 55.579 54.840 0.038 0.000 0.826 301 L CB 0.318 42.410 42.059 0.055 0.000 0.941 301 L HN -0.304 7.927 8.230 0.001 0.000 0.451 302 G N -3.706 105.095 108.800 0.002 0.000 2.130 302 G HA2 -0.441 3.478 3.960 -0.070 0.000 0.216 302 G HA3 -0.441 3.522 3.960 0.005 0.000 0.216 302 G C -0.239 174.541 174.900 -0.201 0.000 0.999 302 G CA 0.509 45.581 45.100 -0.045 0.000 0.686 302 G HN -0.365 7.884 8.290 -0.019 0.030 0.515 303 S N -0.796 114.809 115.700 -0.159 0.000 2.517 303 S HA 0.049 4.098 4.470 -0.701 0.000 0.214 303 S C 0.336 174.794 174.600 -0.238 0.000 0.991 303 S CA -0.866 57.155 58.200 -0.298 0.000 0.906 303 S CB 0.604 63.789 63.200 -0.026 0.000 0.789 303 S HN -0.356 7.916 8.310 -0.064 0.000 0.513 304 A N 1.900 124.626 122.820 -0.158 0.000 2.546 304 A HA -0.304 4.086 4.320 -0.105 -0.133 0.243 304 A C -0.596 176.898 177.584 -0.150 0.000 1.063 304 A CA 1.131 53.093 52.037 -0.125 0.000 0.757 304 A CB -0.057 18.886 19.000 -0.094 0.000 0.991 304 A HN -0.873 7.199 8.150 -0.130 0.000 0.503 305 N N -0.848 117.784 118.700 -0.114 0.000 2.776 305 N HA -0.347 4.395 4.740 -0.067 -0.043 0.250 305 N C -0.466 174.969 175.510 -0.124 0.000 1.112 305 N CA 1.858 54.851 53.050 -0.096 0.000 0.733 305 N CB -1.486 36.952 38.487 -0.083 0.000 1.097 305 N HN 0.408 8.632 8.380 -0.094 0.099 0.558 306 K N -4.721 115.577 120.400 -0.171 0.000 2.358 306 K HA 0.166 4.378 4.320 -0.180 0.000 0.197 306 K C -0.081 176.480 176.600 -0.065 0.000 1.025 306 K CA -1.481 54.686 56.287 -0.200 0.000 1.104 306 K CB 0.300 32.501 32.500 -0.499 0.000 0.855 306 K HN -0.584 7.539 8.250 -0.171 0.025 0.531 307 I N 0.000 120.550 120.570 -0.033 0.000 2.984 307 I HA 0.000 4.184 4.170 0.024 0.000 0.288 307 I CA 0.000 61.309 61.300 0.015 0.000 1.566 307 I CB 0.000 38.027 38.000 0.045 0.000 1.214 307 I HN 0.000 8.184 8.210 -0.044 0.000 0.494