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_P DATA FIRST_RESID 1 DATA SEQUENCE MLVKGNEILL KAHKEGYGVG AFNFVNFEML NAIFEAGNEE NSPLFIQASE DATA SEQUENCE GAIKYMGIDM AVGMVKIMCE RYPHIPVALH LDHGTTFESC EKAVKAGFTS DATA SEQUENCE VMIDASHHAF EENLELTSKV VKMAHNAGVS VEAELGRLMG IXXXXXXXXX DATA SEQUENCE XAVLVNPKEA EQFVKESQVD YLAPAIGTSH GAFKFKGEPK LDFERLQEVK DATA SEQUENCE RLTNIPLVLH GASAIPDNVR KSYLDAGGDL KGSKGVPFEF LQESVKGGIN DATA SEQUENCE KVNTDTDLRI AFIAEVRKVA NEDKSQFDLR KFFSPAQLAL KNVVKERMKL DATA SEQUENCE LGSANKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.505 4.480 0.042 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.615 32.600 0.026 0.000 1.302 2 L N 2.764 123.994 121.223 0.011 0.000 2.361 2 L HA 0.531 5.074 4.340 -0.027 -0.219 0.278 2 L C -0.731 176.128 176.870 -0.018 0.000 1.113 2 L CA 0.214 55.047 54.840 -0.012 0.000 0.849 2 L CB -0.078 41.974 42.059 -0.012 0.000 1.155 2 L HN 0.029 8.269 8.230 0.016 0.000 0.452 3 V N 2.145 122.035 119.914 -0.039 0.000 3.130 3 V HA 0.601 4.718 4.120 -0.005 0.000 0.310 3 V C -1.724 174.355 176.094 -0.027 0.000 1.158 3 V CA -2.858 59.430 62.300 -0.021 0.000 1.029 3 V CB 4.282 36.099 31.823 -0.010 0.000 1.057 3 V HN 0.654 8.803 8.190 -0.068 0.000 0.436 4 K N -0.712 119.696 120.400 0.014 0.000 2.414 4 K HA -0.114 4.373 4.320 0.053 -0.135 0.272 4 K C 1.708 178.349 176.600 0.069 0.000 0.993 4 K CA 0.334 56.652 56.287 0.051 0.000 0.964 4 K CB -0.376 32.166 32.500 0.071 0.000 0.925 4 K HN 0.145 8.407 8.250 0.021 0.000 0.487 5 G N 2.570 111.459 108.800 0.148 0.000 2.440 5 G HA2 -0.388 3.536 3.960 -0.060 0.000 0.218 5 G HA3 -0.388 3.903 3.960 0.551 0.000 0.218 5 G C 0.619 175.743 174.900 0.374 0.000 1.154 5 G CA 2.000 47.263 45.100 0.271 0.000 0.767 5 G HN 0.346 8.750 8.290 0.189 0.000 0.552 6 N N 0.863 119.799 118.700 0.393 0.000 2.364 6 N HA -0.263 4.696 4.740 0.365 0.000 0.183 6 N C 1.866 177.468 175.510 0.153 0.000 1.022 6 N CA 2.765 56.004 53.050 0.316 0.000 0.883 6 N CB 0.165 38.813 38.487 0.267 0.000 0.965 6 N HN -0.376 8.217 8.380 0.373 0.010 0.438 7 E N -0.653 119.618 120.200 0.118 0.000 2.072 7 E HA -0.294 4.098 4.350 0.070 0.000 0.191 7 E C 2.312 178.959 176.600 0.079 0.000 0.985 7 E CA 2.800 59.247 56.400 0.078 0.000 0.801 7 E CB -0.152 29.581 29.700 0.055 0.000 0.750 7 E HN -0.486 7.925 8.360 0.119 0.020 0.452 8 I N -0.603 120.028 120.570 0.102 0.000 2.286 8 I HA -0.401 3.832 4.170 0.105 0.000 0.245 8 I C 1.648 177.809 176.117 0.073 0.000 1.104 8 I CA 3.547 64.920 61.300 0.122 0.000 1.397 8 I CB 0.217 38.333 38.000 0.194 0.000 1.072 8 I HN -0.824 7.453 8.210 0.112 0.000 0.417 9 L N -1.584 119.662 121.223 0.038 0.000 2.240 9 L HA -0.245 3.990 4.340 -0.175 0.000 0.211 9 L C 2.328 179.152 176.870 -0.078 0.000 1.106 9 L CA 2.404 57.166 54.840 -0.132 0.000 0.793 9 L CB -0.474 41.355 42.059 -0.382 0.000 0.927 9 L HN -0.404 7.881 8.230 0.092 0.000 0.446 10 L N -1.578 119.646 121.223 0.002 0.000 2.156 10 L HA -0.372 4.003 4.340 0.057 0.000 0.208 10 L C 1.848 178.741 176.870 0.038 0.000 1.095 10 L CA 3.024 57.891 54.840 0.045 0.000 0.770 10 L CB -0.564 41.531 42.059 0.060 0.000 0.914 10 L HN 0.172 8.420 8.230 0.030 0.000 0.439 11 K N -0.402 119.998 120.400 -0.000 0.000 2.025 11 K HA -0.400 3.926 4.320 0.010 0.000 0.207 11 K C 1.776 178.247 176.600 -0.216 0.000 1.049 11 K CA 3.380 59.656 56.287 -0.018 0.000 0.933 11 K CB -0.182 32.358 32.500 0.067 0.000 0.714 11 K HN -0.807 7.451 8.250 0.013 0.000 0.438 12 A N -2.110 120.449 122.820 -0.436 0.000 1.908 12 A HA -0.298 2.756 4.320 -2.110 0.000 0.218 12 A C 1.936 179.207 177.584 -0.522 0.000 1.181 12 A CA 3.010 54.429 52.037 -1.031 0.000 0.627 12 A CB -0.939 17.597 19.000 -0.772 0.000 0.818 12 A HN -0.500 7.478 8.150 -0.288 0.000 0.445 13 H N -0.261 118.619 119.070 -0.318 0.000 2.353 13 H HA -0.289 4.159 4.556 -0.181 0.000 0.300 13 H C 1.954 177.202 175.328 -0.133 0.000 1.090 13 H CA 3.364 59.302 56.048 -0.183 0.000 1.327 13 H CB -0.022 29.674 29.762 -0.110 0.000 1.383 13 H HN -0.230 8.005 8.280 -0.074 0.000 0.508 14 K N -2.047 118.236 120.400 -0.196 0.000 2.097 14 K HA -0.173 3.974 4.320 -0.289 0.000 0.205 14 K C 1.828 178.337 176.600 -0.151 0.000 1.050 14 K CA 2.224 58.396 56.287 -0.191 0.000 0.938 14 K CB 0.274 32.745 32.500 -0.048 0.000 0.718 14 K HN -0.520 7.683 8.250 -0.078 0.000 0.442 15 E N -4.151 115.974 120.200 -0.125 0.000 2.452 15 E HA 0.001 4.352 4.350 0.002 0.000 0.197 15 E C 0.234 176.829 176.600 -0.008 0.000 1.022 15 E CA -0.191 56.204 56.400 -0.009 0.000 0.890 15 E CB 0.898 30.706 29.700 0.179 0.000 0.918 15 E HN -0.596 7.656 8.360 -0.179 0.000 0.496 16 G N 0.175 108.897 108.800 -0.129 0.000 2.248 16 G HA2 -0.356 3.532 3.960 -0.120 0.000 0.263 16 G HA3 -0.356 3.576 3.960 -0.046 0.000 0.263 16 G C -1.208 173.704 174.900 0.021 0.000 1.082 16 G CA 0.406 45.459 45.100 -0.079 0.000 0.863 16 G HN -0.109 8.048 8.290 -0.221 0.000 0.495 17 Y N -4.848 115.433 120.300 -0.032 0.000 2.630 17 Y HA 0.465 4.997 4.550 -0.030 0.000 0.337 17 Y C -1.737 174.140 175.900 -0.039 0.000 1.051 17 Y CA -3.103 54.978 58.100 -0.031 0.000 1.121 17 Y CB 1.471 39.915 38.460 -0.027 0.000 1.299 17 Y HN -0.823 7.196 8.280 -0.435 0.000 0.498 18 G N -1.960 106.942 108.800 0.170 0.000 2.400 18 G HA2 0.461 4.522 3.960 -0.052 0.000 0.333 18 G HA3 0.461 4.431 3.960 0.017 0.000 0.333 18 G C -2.724 172.246 174.900 0.117 0.000 1.143 18 G CA -1.644 43.484 45.100 0.046 0.000 0.914 18 G HN 0.051 8.469 8.290 0.214 0.000 0.480 19 V N 1.402 121.305 119.914 -0.018 0.000 2.409 19 V HA 0.185 4.358 4.120 0.088 0.000 0.291 19 V C -0.620 175.372 176.094 -0.170 0.000 1.020 19 V CA -1.686 60.611 62.300 -0.005 0.000 0.848 19 V CB 2.311 34.142 31.823 0.013 0.000 0.990 19 V HN 0.271 8.276 8.190 -0.121 0.112 0.430 20 G N 6.005 114.706 108.800 -0.164 0.000 2.432 20 G HA2 -0.039 3.733 3.960 -0.563 0.000 0.239 20 G HA3 -0.039 3.478 3.960 -0.738 0.000 0.239 20 G C -2.108 172.314 174.900 -0.796 0.000 1.291 20 G CA -0.103 44.637 45.100 -0.601 0.000 0.863 20 G HN 0.537 8.815 8.290 -0.020 0.000 0.560 21 A N 4.292 126.576 122.820 -0.893 0.000 2.293 21 A HA 0.767 5.128 4.320 -0.254 -0.193 0.312 21 A C -2.168 175.098 177.584 -0.529 0.000 1.309 21 A CA -1.808 49.929 52.037 -0.500 0.000 0.839 21 A CB 2.137 20.916 19.000 -0.369 0.000 1.155 21 A HN 0.002 7.639 8.150 -0.855 0.000 0.501 22 F N 3.032 123.021 119.950 0.066 0.000 2.427 22 F HA 0.675 5.439 4.527 0.047 -0.209 0.346 22 F C -0.096 175.784 175.800 0.134 0.000 1.120 22 F CA -2.102 55.936 58.000 0.063 0.000 1.033 22 F CB 2.227 41.241 39.000 0.023 0.000 1.126 22 F HN 0.098 8.453 8.300 0.091 0.000 0.462 23 N N 3.180 122.045 118.700 0.275 0.000 2.525 23 N HA 0.488 5.637 4.740 0.290 -0.235 0.271 23 N C -0.463 175.224 175.510 0.295 0.000 1.194 23 N CA 0.867 54.064 53.050 0.245 0.000 0.964 23 N CB 1.531 40.088 38.487 0.117 0.000 1.126 23 N HN -0.195 8.323 8.380 0.230 0.000 0.452 24 F N -1.747 118.241 119.950 0.062 0.000 2.588 24 F HA 0.491 4.997 4.527 -0.036 0.000 0.314 24 F C -1.616 174.185 175.800 0.002 0.000 1.069 24 F CA -2.004 56.003 58.000 0.011 0.000 0.931 24 F CB 3.298 42.319 39.000 0.036 0.000 1.260 24 F HN -0.144 8.329 8.300 0.288 0.000 0.465 25 V N -6.458 113.371 119.914 -0.142 0.000 3.451 25 V HA 0.193 4.102 4.120 -0.352 0.000 0.288 25 V C -2.037 174.071 176.094 0.023 0.000 1.502 25 V CA -0.506 61.659 62.300 -0.225 0.000 1.026 25 V CB 1.423 33.050 31.823 -0.327 0.000 0.840 25 V HN -0.299 7.879 8.190 -0.020 0.000 0.437 26 N N -3.384 115.414 118.700 0.163 0.000 3.378 26 N HA 0.031 4.950 4.740 0.298 0.000 0.294 26 N C -1.123 174.557 175.510 0.284 0.000 1.544 26 N CA -0.979 52.218 53.050 0.244 0.000 0.872 26 N CB 0.670 39.253 38.487 0.159 0.000 1.670 26 N HN -0.911 7.593 8.380 0.206 0.000 0.551 27 F N 0.376 120.403 119.950 0.128 0.000 2.134 27 F HA -0.168 4.420 4.527 0.102 0.000 0.299 27 F C 1.057 176.906 175.800 0.081 0.000 1.097 27 F CA 3.747 61.805 58.000 0.097 0.000 1.264 27 F CB 0.298 39.341 39.000 0.072 0.000 1.001 27 F HN 0.341 8.867 8.300 0.376 0.000 0.479 28 E N -1.145 118.930 120.200 -0.208 0.000 2.085 28 E HA -0.371 3.699 4.350 -0.466 0.000 0.194 28 E C 2.637 179.114 176.600 -0.204 0.000 0.994 28 E CA 4.043 60.291 56.400 -0.253 0.000 0.801 28 E CB -0.632 29.107 29.700 0.065 0.000 0.743 28 E HN 0.216 8.652 8.360 0.029 -0.059 0.453 29 M N -1.302 118.191 119.600 -0.178 0.000 2.132 29 M HA -0.353 4.057 4.480 -0.117 0.000 0.263 29 M C 2.253 178.509 176.300 -0.074 0.000 1.065 29 M CA 4.029 59.258 55.300 -0.119 0.000 1.122 29 M CB 0.036 32.587 32.600 -0.082 0.000 1.365 29 M HN -0.627 7.810 8.290 -0.180 -0.254 0.411 30 L N -0.769 120.406 121.223 -0.080 0.000 2.046 30 L HA -0.424 3.836 4.340 -0.134 0.000 0.208 30 L C 1.620 178.434 176.870 -0.092 0.000 1.077 30 L CA 3.490 58.247 54.840 -0.139 0.000 0.747 30 L CB -0.358 41.554 42.059 -0.245 0.000 0.896 30 L HN -0.525 7.679 8.230 -0.043 0.000 0.432 31 N N -1.146 117.369 118.700 -0.307 0.000 2.084 31 N HA -0.394 4.275 4.740 -0.119 0.000 0.190 31 N C 1.694 177.149 175.510 -0.091 0.000 1.030 31 N CA 3.131 56.029 53.050 -0.253 0.000 0.849 31 N CB -0.162 37.955 38.487 -0.617 0.000 1.012 31 N HN -0.092 7.980 8.380 -0.513 0.000 0.423 32 A N -0.376 122.376 122.820 -0.113 0.000 1.908 32 A HA -0.279 4.010 4.320 -0.051 0.000 0.218 32 A C 2.185 179.703 177.584 -0.110 0.000 1.181 32 A CA 2.962 54.958 52.037 -0.069 0.000 0.627 32 A CB -0.437 18.549 19.000 -0.023 0.000 0.818 32 A HN -0.677 7.384 8.150 -0.149 0.000 0.445 33 I N -1.718 118.777 120.570 -0.126 0.000 2.179 33 I HA -0.573 3.393 4.170 -0.340 0.000 0.242 33 I C 1.821 177.794 176.117 -0.239 0.000 1.088 33 I CA 4.322 65.484 61.300 -0.230 0.000 1.357 33 I CB -0.146 37.743 38.000 -0.184 0.000 1.051 33 I HN -0.613 7.539 8.210 -0.096 0.000 0.409 34 F N -0.563 119.240 119.950 -0.244 0.000 2.171 34 F HA -0.465 3.876 4.527 -0.311 0.000 0.300 34 F C 2.268 177.781 175.800 -0.478 0.000 1.090 34 F CA 4.728 62.532 58.000 -0.326 0.000 1.293 34 F CB -0.207 38.653 39.000 -0.233 0.000 1.013 34 F HN -0.475 7.932 8.300 0.179 0.000 0.486 35 E N -1.260 118.846 120.200 -0.157 0.000 2.106 35 E HA -0.481 3.690 4.350 -0.299 0.000 0.192 35 E C 1.861 178.352 176.600 -0.182 0.000 0.984 35 E CA 2.942 59.230 56.400 -0.186 0.000 0.806 35 E CB -0.251 29.424 29.700 -0.041 0.000 0.750 35 E HN -0.158 8.165 8.360 -0.061 0.000 0.458 36 A N -0.282 122.426 122.820 -0.185 0.000 1.877 36 A HA -0.250 3.983 4.320 -0.145 0.000 0.216 36 A C 1.872 179.340 177.584 -0.193 0.000 1.186 36 A CA 3.079 55.005 52.037 -0.186 0.000 0.620 36 A CB -0.714 18.139 19.000 -0.246 0.000 0.822 36 A HN -0.232 7.806 8.150 -0.186 0.000 0.443 37 G N -2.285 106.364 108.800 -0.251 0.000 2.442 37 G HA2 -0.439 3.414 3.960 -0.178 0.000 0.219 37 G HA3 -0.439 3.345 3.960 -0.293 0.000 0.219 37 G C 1.359 176.145 174.900 -0.191 0.000 1.141 37 G CA 1.859 46.819 45.100 -0.232 0.000 0.763 37 G HN -0.162 7.951 8.290 -0.295 0.000 0.554 38 N N 1.758 120.306 118.700 -0.253 0.000 2.142 38 N HA -0.213 4.514 4.740 -0.023 0.000 0.186 38 N C 2.733 178.229 175.510 -0.022 0.000 1.023 38 N CA 2.489 55.461 53.050 -0.129 0.000 0.852 38 N CB 0.282 38.597 38.487 -0.285 0.000 0.998 38 N HN -0.185 7.990 8.380 -0.342 0.000 0.424 39 E N -1.380 118.782 120.200 -0.064 0.000 2.285 39 E HA -0.138 4.207 4.350 -0.009 0.000 0.194 39 E C 1.183 177.760 176.600 -0.038 0.000 0.997 39 E CA 2.115 58.495 56.400 -0.034 0.000 0.845 39 E CB 0.348 30.024 29.700 -0.040 0.000 0.782 39 E HN -0.324 7.974 8.360 -0.104 0.000 0.491 40 E N -4.065 116.101 120.200 -0.057 0.000 2.501 40 E HA 0.189 4.509 4.350 -0.049 0.000 0.201 40 E C -1.144 175.427 176.600 -0.048 0.000 1.016 40 E CA -1.473 54.893 56.400 -0.056 0.000 0.920 40 E CB 0.533 30.190 29.700 -0.071 0.000 1.023 40 E HN -0.347 7.968 8.360 -0.075 0.000 0.474 41 N N -1.845 116.840 118.700 -0.024 0.000 2.738 41 N HA -0.483 4.285 4.740 0.047 0.000 0.249 41 N C -2.540 172.949 175.510 -0.035 0.000 1.047 41 N CA 1.236 54.286 53.050 -0.000 0.000 0.707 41 N CB -1.381 37.102 38.487 -0.007 0.000 0.937 41 N HN -0.133 8.191 8.380 -0.015 0.047 0.545 42 S N -1.769 113.897 115.700 -0.057 0.000 2.482 42 S HA 0.777 5.363 4.470 -0.072 -0.159 0.303 42 S C -2.330 172.234 174.600 -0.060 0.000 1.091 42 S CA -3.734 54.427 58.200 -0.064 0.000 1.057 42 S CB 2.443 65.609 63.200 -0.056 0.000 1.031 42 S HN -0.596 7.674 8.310 -0.067 0.000 0.485 43 P HA 0.017 4.507 4.420 -0.051 -0.100 0.272 43 P C -1.879 175.420 177.300 -0.000 0.000 1.240 43 P CA -0.222 62.873 63.100 -0.009 0.000 0.791 43 P CB 1.065 32.806 31.700 0.069 0.000 0.978 44 L N -2.540 118.656 121.223 -0.045 0.000 2.410 44 L HA 0.247 4.629 4.340 0.071 0.000 0.270 44 L C -1.289 175.594 176.870 0.021 0.000 0.983 44 L CA -0.914 53.906 54.840 -0.033 0.000 0.822 44 L CB 4.252 46.140 42.059 -0.285 0.000 1.285 44 L HN -0.120 8.063 8.230 -0.078 0.000 0.409 45 F N 3.100 123.003 119.950 -0.077 0.000 2.405 45 F HA 0.355 4.996 4.527 -0.049 -0.144 0.355 45 F C -1.162 174.633 175.800 -0.009 0.000 1.121 45 F CA -0.459 57.498 58.000 -0.072 0.000 1.112 45 F CB 2.283 41.190 39.000 -0.156 0.000 1.126 45 F HN -0.262 8.210 8.300 0.286 0.000 0.481 46 I N 5.167 125.792 120.570 0.091 0.000 2.354 46 I HA 0.515 4.950 4.170 0.212 -0.138 0.292 46 I C -2.413 173.894 176.117 0.316 0.000 0.989 46 I CA -2.631 58.766 61.300 0.161 0.000 1.188 46 I CB 3.308 41.306 38.000 -0.003 0.000 1.342 46 I HN 0.567 8.760 8.210 -0.028 0.000 0.457 47 Q N 8.014 128.067 119.800 0.422 0.000 2.365 47 Q HA 0.847 5.685 4.340 0.487 -0.205 0.269 47 Q C -1.758 174.478 176.000 0.394 0.000 1.061 47 Q CA -2.240 53.825 55.803 0.436 0.000 0.816 47 Q CB 4.262 33.209 28.738 0.349 0.000 1.325 47 Q HN 0.268 8.797 8.270 0.432 0.000 0.446 48 A N 2.951 125.974 122.820 0.339 0.000 2.335 48 A HA 0.691 4.985 4.320 -0.043 0.000 0.304 48 A C -1.207 176.450 177.584 0.123 0.000 1.118 48 A CA -1.454 50.656 52.037 0.122 0.000 0.757 48 A CB 2.762 21.842 19.000 0.134 0.000 1.188 48 A HN 0.279 8.685 8.150 0.427 0.000 0.460 49 S N 4.434 120.160 115.700 0.043 0.000 2.634 49 S HA 0.262 4.979 4.470 0.076 -0.202 0.261 49 S C 1.163 175.765 174.600 0.002 0.000 1.271 49 S CA -1.349 56.876 58.200 0.042 0.000 0.985 49 S CB 1.624 64.838 63.200 0.023 0.000 0.968 49 S HN 0.266 8.576 8.310 0.001 0.000 0.568 50 E N 0.628 120.827 120.200 -0.003 0.000 2.150 50 E HA -0.367 3.959 4.350 -0.041 0.000 0.193 50 E C 2.629 179.221 176.600 -0.015 0.000 0.985 50 E CA 3.215 59.601 56.400 -0.023 0.000 0.814 50 E CB -0.247 29.441 29.700 -0.020 0.000 0.752 50 E HN 0.762 9.131 8.360 0.015 0.000 0.466 51 G N -1.077 107.713 108.800 -0.017 0.000 2.402 51 G HA2 -0.174 3.784 3.960 -0.002 0.000 0.216 51 G HA3 -0.174 3.767 3.960 -0.031 0.000 0.216 51 G C 0.800 175.695 174.900 -0.007 0.000 1.162 51 G CA 1.314 46.404 45.100 -0.016 0.000 0.777 51 G HN 0.013 8.283 8.290 -0.020 0.008 0.539 52 A N 1.746 124.540 122.820 -0.044 0.000 1.933 52 A HA -0.292 3.986 4.320 -0.071 0.000 0.218 52 A C 1.753 179.334 177.584 -0.006 0.000 1.175 52 A CA 2.707 54.701 52.037 -0.071 0.000 0.628 52 A CB -0.341 18.550 19.000 -0.183 0.000 0.814 52 A HN -0.441 7.678 8.150 -0.053 0.000 0.444 53 I N -1.856 118.714 120.570 -0.001 0.000 2.394 53 I HA -0.531 3.665 4.170 0.043 0.000 0.251 53 I C 1.598 177.739 176.117 0.040 0.000 1.136 53 I CA 3.784 65.103 61.300 0.032 0.000 1.425 53 I CB -0.277 37.738 38.000 0.025 0.000 1.079 53 I HN -0.290 7.914 8.210 -0.009 0.000 0.425 54 K N 0.144 120.568 120.400 0.040 0.000 2.097 54 K HA -0.340 3.994 4.320 0.023 0.000 0.205 54 K C 1.624 178.266 176.600 0.069 0.000 1.050 54 K CA 2.948 59.261 56.287 0.042 0.000 0.938 54 K CB -0.224 32.297 32.500 0.036 0.000 0.718 54 K HN -0.541 7.729 8.250 0.032 0.000 0.442 55 Y N -1.827 118.451 120.300 -0.036 0.000 2.200 55 Y HA -0.261 4.275 4.550 -0.024 0.000 0.290 55 Y C 1.134 177.021 175.900 -0.023 0.000 1.137 55 Y CA 2.592 60.672 58.100 -0.033 0.000 1.163 55 Y CB 0.695 39.125 38.460 -0.051 0.000 0.988 55 Y HN -0.597 7.807 8.280 0.206 0.000 0.518 56 M N -4.031 115.600 119.600 0.051 0.000 2.394 56 M HA -0.020 4.400 4.480 -0.099 0.000 0.266 56 M C 0.233 176.521 176.300 -0.019 0.000 1.098 56 M CA 1.682 56.976 55.300 -0.010 0.000 1.149 56 M CB 1.409 34.051 32.600 0.070 0.000 1.369 56 M HN -0.531 7.837 8.290 0.129 0.000 0.450 57 G N -1.667 107.137 108.800 0.008 0.000 3.019 57 G HA2 -0.209 3.776 3.960 0.017 0.000 0.686 57 G HA3 -0.209 3.843 3.960 0.011 -0.086 0.686 57 G C -1.075 173.864 174.900 0.064 0.000 1.056 57 G CA -0.638 44.475 45.100 0.022 0.000 0.774 57 G HN -0.394 7.906 8.290 0.017 0.000 0.583 58 I N 2.092 122.709 120.570 0.077 0.000 2.394 58 I HA -0.371 3.914 4.170 0.191 0.000 0.251 58 I C 0.238 176.446 176.117 0.153 0.000 1.136 58 I CA 2.338 63.725 61.300 0.145 0.000 1.425 58 I CB -0.062 38.010 38.000 0.120 0.000 1.079 58 I HN 0.396 8.639 8.210 0.056 0.000 0.425 59 D N -1.814 118.642 120.400 0.094 0.000 2.117 59 D HA -0.303 4.386 4.640 0.082 0.000 0.197 59 D C 1.935 178.281 176.300 0.077 0.000 0.987 59 D CA 3.098 57.144 54.000 0.076 0.000 0.829 59 D CB -1.213 39.615 40.800 0.046 0.000 0.961 59 D HN 0.355 8.756 8.370 0.072 0.013 0.460 60 M N 0.353 120.001 119.600 0.079 0.000 2.236 60 M HA -0.134 4.388 4.480 0.071 0.000 0.266 60 M C 1.364 177.753 176.300 0.147 0.000 1.070 60 M CA 1.827 57.179 55.300 0.088 0.000 1.137 60 M CB -0.267 32.373 32.600 0.068 0.000 1.378 60 M HN -0.709 7.530 8.290 0.072 0.093 0.426 61 A N 0.429 123.357 122.820 0.178 0.000 1.865 61 A HA -0.237 4.329 4.320 0.410 0.000 0.217 61 A C 2.110 179.827 177.584 0.223 0.000 1.191 61 A CA 3.062 55.271 52.037 0.285 0.000 0.623 61 A CB -0.777 18.371 19.000 0.246 0.000 0.826 61 A HN -0.316 7.926 8.150 0.154 0.000 0.444 62 V N -2.612 117.365 119.914 0.106 0.000 2.358 62 V HA -0.545 3.512 4.120 -0.104 0.000 0.246 62 V C 1.964 178.064 176.094 0.011 0.000 1.047 62 V CA 3.895 66.190 62.300 -0.008 0.000 1.035 62 V CB -0.316 31.515 31.823 0.013 0.000 0.658 62 V HN -0.454 7.820 8.190 0.139 0.000 0.452 63 G N -1.059 107.766 108.800 0.040 0.000 2.446 63 G HA2 -0.400 3.564 3.960 0.007 0.000 0.217 63 G HA3 -0.400 3.576 3.960 0.028 0.000 0.217 63 G C 1.144 176.049 174.900 0.008 0.000 1.168 63 G CA 2.243 47.356 45.100 0.021 0.000 0.771 63 G HN -0.392 7.934 8.290 0.061 0.000 0.551 64 M N 1.257 120.883 119.600 0.043 0.000 2.175 64 M HA -0.378 4.109 4.480 0.012 0.000 0.264 64 M C 2.094 178.350 176.300 -0.073 0.000 1.063 64 M CA 3.989 59.305 55.300 0.026 0.000 1.119 64 M CB 0.143 32.819 32.600 0.127 0.000 1.377 64 M HN -0.243 8.098 8.290 0.085 0.000 0.415 65 V N 0.352 120.221 119.914 -0.076 0.000 2.358 65 V HA -0.585 3.411 4.120 -0.206 0.000 0.246 65 V C 1.649 177.675 176.094 -0.113 0.000 1.047 65 V CA 4.525 66.747 62.300 -0.131 0.000 1.035 65 V CB -0.515 31.250 31.823 -0.098 0.000 0.658 65 V HN -0.596 7.582 8.190 -0.020 0.000 0.452 66 K N -0.175 120.181 120.400 -0.074 0.000 2.097 66 K HA -0.332 3.961 4.320 -0.046 0.000 0.206 66 K C 2.656 179.205 176.600 -0.085 0.000 1.049 66 K CA 3.509 59.761 56.287 -0.059 0.000 0.933 66 K CB -0.234 32.245 32.500 -0.037 0.000 0.717 66 K HN -0.400 7.815 8.250 -0.058 0.000 0.442 67 I N 0.134 120.643 120.570 -0.101 0.000 2.179 67 I HA -0.488 3.625 4.170 -0.095 0.000 0.242 67 I C 1.754 177.756 176.117 -0.192 0.000 1.088 67 I CA 3.969 65.199 61.300 -0.116 0.000 1.357 67 I CB -0.068 37.878 38.000 -0.091 0.000 1.051 67 I HN -0.509 7.647 8.210 -0.089 0.000 0.409 68 M N -1.052 118.354 119.600 -0.324 0.000 2.175 68 M HA -0.367 3.848 4.480 -0.442 0.000 0.264 68 M C 2.355 178.381 176.300 -0.458 0.000 1.063 68 M CA 1.913 56.846 55.300 -0.612 0.000 1.119 68 M CB -1.481 30.279 32.600 -1.399 0.000 1.377 68 M HN -0.473 7.626 8.290 -0.318 0.000 0.415 69 C N -0.738 118.425 119.300 -0.229 0.000 2.425 69 C HA -0.376 4.213 4.460 0.215 0.000 0.277 69 C C 1.687 176.682 174.990 0.008 0.000 1.280 69 C CA 4.607 63.649 59.018 0.041 0.000 1.744 69 C CB -1.002 26.776 27.740 0.064 0.000 1.989 69 C HN -0.021 8.077 8.230 -0.220 0.000 0.491 70 E N -1.362 118.804 120.200 -0.057 0.000 2.152 70 E HA -0.298 4.037 4.350 -0.025 0.000 0.192 70 E C 1.759 178.302 176.600 -0.096 0.000 0.983 70 E CA 2.376 58.743 56.400 -0.055 0.000 0.818 70 E CB -0.317 29.346 29.700 -0.061 0.000 0.758 70 E HN -0.725 7.585 8.360 -0.084 0.000 0.467 71 R N -1.613 118.778 120.500 -0.183 0.000 2.115 71 R HA -0.172 3.985 4.340 -0.305 0.000 0.230 71 R C 0.479 176.488 176.300 -0.485 0.000 1.111 71 R CA 2.276 58.154 56.100 -0.370 0.000 0.976 71 R CB 0.900 30.902 30.300 -0.496 0.000 0.870 71 R HN -0.758 7.307 8.270 -0.189 0.092 0.445 72 Y N -3.743 116.561 120.300 0.006 0.000 2.511 72 Y HA 0.462 5.073 4.550 0.103 0.000 0.356 72 Y C -1.889 173.986 175.900 -0.042 0.000 1.002 72 Y CA -3.200 54.915 58.100 0.025 0.000 1.127 72 Y CB -0.205 38.282 38.460 0.045 0.000 1.137 72 Y HN -0.537 7.647 8.280 0.025 0.112 0.652 73 P HA 0.018 4.601 4.420 0.075 -0.118 0.223 73 P C -0.395 176.962 177.300 0.094 0.000 1.151 73 P CA 1.054 64.213 63.100 0.098 0.000 0.787 73 P CB 0.380 32.137 31.700 0.094 0.000 0.788 74 H N -5.197 113.939 119.070 0.110 0.000 2.547 74 H HA -0.054 4.539 4.556 0.062 0.000 0.272 74 H C -0.228 175.144 175.328 0.073 0.000 0.989 74 H CA 0.072 56.168 56.048 0.080 0.000 1.214 74 H CB -0.479 29.326 29.762 0.073 0.000 1.389 74 H HN -0.404 8.008 8.280 0.273 0.031 0.577 75 I N 2.772 123.127 120.570 -0.359 0.000 2.312 75 I HA 0.105 4.169 4.170 -0.177 0.000 0.291 75 I C -2.231 173.833 176.117 -0.089 0.000 1.031 75 I CA -2.342 58.819 61.300 -0.232 0.000 1.293 75 I CB 0.135 37.961 38.000 -0.289 0.000 1.403 75 I HN -0.806 7.113 8.210 -0.418 0.040 0.484 76 P HA 0.020 4.570 4.420 -0.021 -0.143 0.271 76 P C -1.498 175.755 177.300 -0.080 0.000 1.226 76 P CA -0.343 62.737 63.100 -0.034 0.000 0.765 76 P CB 0.406 32.106 31.700 0.001 0.000 0.835 77 V N 4.519 124.378 119.914 -0.092 0.000 2.686 77 V HA 0.727 4.953 4.120 -0.197 -0.225 0.306 77 V C -1.985 173.984 176.094 -0.209 0.000 1.065 77 V CA -1.915 60.291 62.300 -0.157 0.000 0.894 77 V CB 4.421 36.187 31.823 -0.096 0.000 1.004 77 V HN 0.530 8.681 8.190 -0.065 0.000 0.424 78 A N 6.417 128.995 122.820 -0.404 0.000 2.330 78 A HA 0.752 5.014 4.320 -0.324 -0.136 0.327 78 A C -2.635 174.721 177.584 -0.380 0.000 1.155 78 A CA -2.420 49.302 52.037 -0.524 0.000 0.803 78 A CB 3.337 21.645 19.000 -1.154 0.000 1.208 78 A HN 0.511 8.373 8.150 -0.479 0.000 0.477 79 L N 4.264 125.369 121.223 -0.197 0.000 2.265 79 L HA 0.631 5.082 4.340 -0.077 -0.158 0.289 79 L C -1.800 175.130 176.870 0.101 0.000 1.033 79 L CA -1.282 53.480 54.840 -0.129 0.000 0.814 79 L CB 2.236 44.104 42.059 -0.318 0.000 1.203 79 L HN -0.214 7.918 8.230 -0.163 0.000 0.423 80 H N 8.604 127.793 119.070 0.199 0.000 2.547 80 H HA 0.587 5.645 4.556 0.427 -0.246 0.342 80 H C -1.946 173.710 175.328 0.547 0.000 1.048 80 H CA -2.198 54.097 56.048 0.412 0.000 1.204 80 H CB 3.865 33.888 29.762 0.436 0.000 1.493 80 H HN 0.659 9.150 8.280 0.352 0.000 0.511 81 L N 8.334 129.556 121.223 -0.002 0.000 2.325 81 L HA 0.363 4.897 4.340 0.048 -0.166 0.284 81 L C -1.865 174.804 176.870 -0.335 0.000 1.089 81 L CA -0.854 53.876 54.840 -0.182 0.000 0.836 81 L CB 0.911 42.703 42.059 -0.444 0.000 1.184 81 L HN 0.014 8.207 8.230 -0.062 0.000 0.444 82 D N 8.677 129.071 120.400 -0.010 0.000 2.308 82 D HA 0.125 4.845 4.640 0.133 0.000 0.251 82 D C -0.103 176.264 176.300 0.113 0.000 1.127 82 D CA -0.688 53.378 54.000 0.111 0.000 0.876 82 D CB 0.659 41.598 40.800 0.232 0.000 1.176 82 D HN -0.199 8.230 8.370 0.097 0.000 0.446 83 H N 2.116 121.265 119.070 0.132 0.000 2.677 83 H HA -0.419 4.201 4.556 0.108 0.000 0.321 83 H C -0.414 174.924 175.328 0.016 0.000 1.171 83 H CA 1.289 57.390 56.048 0.088 0.000 1.139 83 H CB -2.668 27.142 29.762 0.080 0.000 1.515 83 H HN 0.080 8.277 8.280 -0.138 0.000 0.423 84 G N -2.597 106.222 108.800 0.033 0.000 2.380 84 G HA2 -0.003 4.120 3.960 -0.027 0.000 0.242 84 G HA3 -0.003 3.995 3.960 -0.065 -0.077 0.242 84 G C -0.834 174.087 174.900 0.036 0.000 1.298 84 G CA 0.090 45.182 45.100 -0.014 0.000 0.878 84 G HN -0.457 7.823 8.290 -0.016 0.000 0.542 85 T N -1.305 113.271 114.554 0.036 0.000 2.985 85 T HA 0.310 4.724 4.350 0.106 0.000 0.254 85 T C 0.424 175.165 174.700 0.068 0.000 1.021 85 T CA -0.817 61.330 62.100 0.079 0.000 0.957 85 T CB 1.670 70.593 68.868 0.091 0.000 1.047 85 T HN 0.190 8.714 8.240 0.013 -0.276 0.511 86 T N -2.720 111.856 114.554 0.035 0.000 2.864 86 T HA 0.275 4.672 4.350 0.080 0.000 0.299 86 T C -0.395 174.338 174.700 0.055 0.000 1.166 86 T CA -2.230 59.906 62.100 0.060 0.000 1.007 86 T CB 2.862 71.766 68.868 0.060 0.000 1.219 86 T HN -0.892 7.352 8.240 0.008 0.000 0.506 87 F N 2.973 122.898 119.950 -0.042 0.000 2.134 87 F HA -0.350 4.140 4.527 -0.062 0.000 0.299 87 F C 0.763 176.533 175.800 -0.050 0.000 1.097 87 F CA 3.992 61.961 58.000 -0.052 0.000 1.264 87 F CB 0.201 39.171 39.000 -0.049 0.000 1.001 87 F HN 0.568 9.024 8.300 0.261 0.000 0.479 88 E N -0.759 119.418 120.200 -0.039 0.000 2.150 88 E HA -0.293 3.914 4.350 -0.238 0.000 0.193 88 E C 2.732 179.217 176.600 -0.192 0.000 0.985 88 E CA 3.073 59.393 56.400 -0.134 0.000 0.814 88 E CB -0.799 28.907 29.700 0.011 0.000 0.752 88 E HN 0.402 8.832 8.360 0.117 0.000 0.466 89 S N 0.320 115.931 115.700 -0.149 0.000 2.368 89 S HA -0.250 4.130 4.470 -0.150 0.000 0.224 89 S C 1.873 176.326 174.600 -0.246 0.000 1.029 89 S CA 3.109 61.211 58.200 -0.163 0.000 0.988 89 S CB -0.080 63.051 63.200 -0.114 0.000 0.838 89 S HN -0.362 7.873 8.310 -0.102 0.014 0.462 90 C N 1.378 120.514 119.300 -0.273 0.000 2.429 90 C HA -0.387 3.899 4.460 -0.290 0.000 0.277 90 C C 1.282 176.062 174.990 -0.349 0.000 1.262 90 C CA 4.562 63.397 59.018 -0.305 0.000 1.733 90 C CB -0.483 27.097 27.740 -0.267 0.000 2.010 90 C HN -0.513 7.567 8.230 -0.250 0.000 0.483 91 E N 1.195 121.104 120.200 -0.484 0.000 2.085 91 E HA -0.390 3.724 4.350 -0.393 0.000 0.194 91 E C 2.210 178.665 176.600 -0.242 0.000 0.994 91 E CA 3.108 59.252 56.400 -0.427 0.000 0.801 91 E CB -0.223 29.136 29.700 -0.568 0.000 0.743 91 E HN -0.160 7.834 8.360 -0.609 0.000 0.453 92 K N -1.590 118.678 120.400 -0.220 0.000 2.057 92 K HA -0.307 3.947 4.320 -0.110 0.000 0.207 92 K C 2.374 178.881 176.600 -0.155 0.000 1.049 92 K CA 2.944 59.140 56.287 -0.150 0.000 0.931 92 K CB -0.138 32.281 32.500 -0.135 0.000 0.714 92 K HN -0.379 7.725 8.250 -0.242 0.000 0.440 93 A N -0.558 122.097 122.820 -0.275 0.000 1.898 93 A HA -0.196 3.870 4.320 -0.423 0.000 0.216 93 A C 2.097 179.635 177.584 -0.076 0.000 1.181 93 A CA 2.993 54.783 52.037 -0.410 0.000 0.620 93 A CB -0.806 17.674 19.000 -0.867 0.000 0.819 93 A HN -0.559 7.404 8.150 -0.312 0.000 0.442 94 V N -1.135 118.728 119.914 -0.085 0.000 2.287 94 V HA -0.587 3.572 4.120 0.064 0.000 0.248 94 V C 1.813 177.927 176.094 0.033 0.000 1.053 94 V CA 3.788 66.090 62.300 0.004 0.000 1.027 94 V CB -0.156 31.640 31.823 -0.045 0.000 0.646 94 V HN -0.262 7.836 8.190 -0.153 0.000 0.447 95 K N -1.440 118.958 120.400 -0.004 0.000 2.097 95 K HA -0.291 4.039 4.320 0.017 0.000 0.206 95 K C 1.406 178.039 176.600 0.055 0.000 1.049 95 K CA 2.662 58.958 56.287 0.014 0.000 0.933 95 K CB 0.055 32.549 32.500 -0.010 0.000 0.717 95 K HN -0.495 7.729 8.250 -0.044 0.000 0.442 96 A N -4.142 118.734 122.820 0.094 0.000 2.119 96 A HA -0.013 4.368 4.320 0.102 0.000 0.216 96 A C 0.110 177.797 177.584 0.171 0.000 1.152 96 A CA 0.940 53.065 52.037 0.146 0.000 0.708 96 A CB 0.698 19.828 19.000 0.217 0.000 0.805 96 A HN -0.470 7.638 8.150 0.084 0.093 0.460 97 G N -3.981 104.936 108.800 0.195 0.000 2.183 97 G HA2 -0.196 3.826 3.960 0.103 0.000 0.168 97 G HA3 -0.196 3.817 3.960 0.088 0.000 0.168 97 G C -0.255 174.734 174.900 0.148 0.000 1.008 97 G CA -0.641 44.539 45.100 0.133 0.000 0.677 97 G HN -0.730 7.655 8.290 0.206 0.029 0.498 98 F N 0.664 120.628 119.950 0.024 0.000 2.545 98 F HA -0.126 4.429 4.527 0.046 0.000 0.348 98 F C 0.684 176.502 175.800 0.029 0.000 1.163 98 F CA 1.141 59.160 58.000 0.032 0.000 1.331 98 F CB 0.900 39.911 39.000 0.018 0.000 1.138 98 F HN -0.663 8.019 8.300 0.636 0.000 0.602 99 T N -3.392 111.264 114.554 0.170 0.000 3.044 99 T HA 0.138 4.559 4.350 0.118 0.000 0.260 99 T C -0.316 174.490 174.700 0.176 0.000 1.019 99 T CA -0.352 61.819 62.100 0.118 0.000 0.921 99 T CB 0.916 69.802 68.868 0.030 0.000 1.053 99 T HN 0.324 8.643 8.240 0.131 0.000 0.533 100 S N 0.704 116.565 115.700 0.269 0.000 2.543 100 S HA 0.746 5.610 4.470 0.323 -0.200 0.271 100 S C -2.308 172.446 174.600 0.257 0.000 1.148 100 S CA -0.644 57.788 58.200 0.386 0.000 0.914 100 S CB 2.062 65.686 63.200 0.706 0.000 1.096 100 S HN -0.640 7.854 8.310 0.307 0.000 0.471 101 V N -0.334 119.646 119.914 0.110 0.000 2.789 101 V HA 0.482 4.427 4.120 -0.291 0.000 0.311 101 V C -2.660 173.378 176.094 -0.093 0.000 1.073 101 V CA -2.397 59.826 62.300 -0.128 0.000 0.921 101 V CB 3.823 35.570 31.823 -0.126 0.000 1.009 101 V HN 0.447 8.719 8.190 0.136 0.000 0.426 102 M N 4.954 124.439 119.600 -0.191 0.000 2.180 102 M HA 0.608 5.317 4.480 0.066 -0.190 0.350 102 M C -2.102 174.176 176.300 -0.038 0.000 1.125 102 M CA -1.169 54.126 55.300 -0.007 0.000 1.031 102 M CB 3.073 35.721 32.600 0.079 0.000 1.623 102 M HN 0.317 8.402 8.290 -0.341 0.000 0.451 103 I N 7.177 127.739 120.570 -0.013 0.000 2.307 103 I HA 0.230 4.522 4.170 -0.017 -0.133 0.289 103 I C -2.964 173.157 176.117 0.005 0.000 1.021 103 I CA -1.650 59.643 61.300 -0.012 0.000 1.224 103 I CB 1.900 39.890 38.000 -0.017 0.000 1.376 103 I HN 0.455 8.664 8.210 -0.001 0.000 0.470 104 D N 9.754 130.172 120.400 0.030 0.000 2.473 104 D HA 0.170 4.828 4.640 0.031 0.000 0.226 104 D C -1.686 174.641 176.300 0.045 0.000 1.089 104 D CA -1.274 52.766 54.000 0.067 0.000 0.883 104 D CB 1.292 42.213 40.800 0.202 0.000 1.029 104 D HN 0.228 8.625 8.370 0.045 0.000 0.517 105 A N 6.344 129.111 122.820 -0.089 0.000 2.676 105 A HA 0.439 4.495 4.320 -0.440 0.000 0.297 105 A C 0.501 177.969 177.584 -0.193 0.000 1.132 105 A CA -1.077 50.734 52.037 -0.376 0.000 0.972 105 A CB -0.065 18.537 19.000 -0.664 0.000 1.197 105 A HN 0.246 8.349 8.150 -0.077 0.000 0.524 106 S N 1.251 116.968 115.700 0.027 0.000 2.419 106 S HA -0.317 4.136 4.470 -0.028 0.000 0.235 106 S C 0.536 175.205 174.600 0.115 0.000 1.019 106 S CA 2.629 60.856 58.200 0.045 0.000 0.982 106 S CB 0.316 63.549 63.200 0.055 0.000 0.789 106 S HN -0.558 8.087 8.310 0.102 -0.274 0.490 107 H N -2.331 116.827 119.070 0.146 0.000 2.548 107 H HA 0.109 4.713 4.556 0.081 0.000 0.265 107 H C -0.110 175.318 175.328 0.167 0.000 0.969 107 H CA -0.186 55.941 56.048 0.133 0.000 1.155 107 H CB -0.384 29.437 29.762 0.098 0.000 1.394 107 H HN -0.014 8.445 8.280 0.348 0.029 0.570 108 H N 1.207 120.067 119.070 -0.350 0.000 2.603 108 H HA -0.075 4.379 4.556 -0.169 0.000 0.370 108 H C -0.415 174.880 175.328 -0.056 0.000 1.225 108 H CA -0.215 55.711 56.048 -0.203 0.000 1.410 108 H CB 1.069 30.697 29.762 -0.223 0.000 1.495 108 H HN -0.764 7.379 8.280 0.017 0.146 0.602 109 A N 0.194 123.074 122.820 0.101 0.000 2.507 109 A HA -0.127 4.264 4.320 0.119 0.000 0.235 109 A C -0.065 177.609 177.584 0.151 0.000 1.070 109 A CA 0.053 52.160 52.037 0.115 0.000 0.768 109 A CB 0.893 19.946 19.000 0.089 0.000 1.011 109 A HN -0.124 8.246 8.150 0.066 -0.180 0.502 110 F N 2.744 122.727 119.950 0.055 0.000 2.087 110 F HA -0.514 4.066 4.527 0.090 0.000 0.299 110 F C 1.190 177.054 175.800 0.105 0.000 1.100 110 F CA 4.348 62.398 58.000 0.083 0.000 1.226 110 F CB 0.131 39.172 39.000 0.069 0.000 0.983 110 F HN 0.644 9.138 8.300 0.323 0.000 0.479 111 E N -3.436 116.802 120.200 0.063 0.000 2.150 111 E HA -0.290 3.930 4.350 -0.217 0.000 0.193 111 E C 2.670 179.203 176.600 -0.111 0.000 0.985 111 E CA 3.735 60.095 56.400 -0.068 0.000 0.814 111 E CB -0.962 28.781 29.700 0.073 0.000 0.752 111 E HN 0.604 9.094 8.360 0.217 0.000 0.466 112 E N -0.136 120.042 120.200 -0.036 0.000 2.112 112 E HA -0.301 4.027 4.350 -0.035 0.000 0.190 112 E C 1.993 178.546 176.600 -0.077 0.000 0.979 112 E CA 2.646 59.035 56.400 -0.019 0.000 0.814 112 E CB -0.225 29.523 29.700 0.080 0.000 0.762 112 E HN -0.556 7.811 8.360 0.012 0.000 0.460 113 N N 0.422 119.074 118.700 -0.080 0.000 2.069 113 N HA -0.260 4.370 4.740 -0.184 0.000 0.191 113 N C 1.930 177.404 175.510 -0.061 0.000 1.031 113 N CA 2.967 55.965 53.050 -0.086 0.000 0.852 113 N CB -0.078 38.406 38.487 -0.006 0.000 1.018 113 N HN -0.240 8.116 8.380 -0.041 0.000 0.423 114 L N -0.453 120.642 121.223 -0.212 0.000 2.046 114 L HA -0.270 3.628 4.340 -0.736 0.000 0.208 114 L C 1.212 177.858 176.870 -0.373 0.000 1.077 114 L CA 3.353 57.897 54.840 -0.493 0.000 0.747 114 L CB -0.300 41.345 42.059 -0.689 0.000 0.896 114 L HN -0.053 7.997 8.230 -0.299 0.000 0.432 115 E N -0.558 119.492 120.200 -0.249 0.000 2.051 115 E HA -0.375 3.855 4.350 -0.200 0.000 0.192 115 E C 2.355 178.851 176.600 -0.174 0.000 0.991 115 E CA 3.207 59.492 56.400 -0.190 0.000 0.799 115 E CB 0.028 29.647 29.700 -0.135 0.000 0.748 115 E HN -0.609 7.617 8.360 -0.223 0.000 0.449 116 L N -1.022 120.110 121.223 -0.151 0.000 2.017 116 L HA -0.283 3.987 4.340 -0.116 0.000 0.208 116 L C 1.812 178.621 176.870 -0.102 0.000 1.073 116 L CA 3.100 57.867 54.840 -0.121 0.000 0.745 116 L CB -0.160 41.820 42.059 -0.132 0.000 0.894 116 L HN -0.311 7.830 8.230 -0.148 0.000 0.432 117 T N 2.024 116.501 114.554 -0.128 0.000 2.720 117 T HA -0.482 3.831 4.350 -0.062 0.000 0.268 117 T C 1.882 176.474 174.700 -0.181 0.000 1.037 117 T CA 5.491 67.519 62.100 -0.119 0.000 1.144 117 T CB -0.277 68.532 68.868 -0.097 0.000 0.864 117 T HN 0.070 8.225 8.240 -0.142 0.000 0.444 118 S N 1.085 116.637 115.700 -0.248 0.000 2.399 118 S HA -0.243 4.075 4.470 -0.253 0.000 0.231 118 S C 1.482 175.986 174.600 -0.160 0.000 1.022 118 S CA 3.383 61.444 58.200 -0.232 0.000 0.983 118 S CB -0.577 62.479 63.200 -0.240 0.000 0.803 118 S HN -0.123 8.018 8.310 -0.281 0.000 0.480 119 K N 2.528 122.848 120.400 -0.133 0.000 2.057 119 K HA -0.220 4.023 4.320 -0.128 0.000 0.206 119 K C 2.241 178.880 176.600 0.064 0.000 1.050 119 K CA 3.120 59.340 56.287 -0.111 0.000 0.935 119 K CB -0.122 32.240 32.500 -0.230 0.000 0.715 119 K HN -0.704 7.354 8.250 -0.143 0.106 0.439 120 V N 0.072 120.059 119.914 0.121 0.000 2.343 120 V HA -0.531 3.774 4.120 0.308 0.000 0.247 120 V C 1.663 177.744 176.094 -0.022 0.000 1.051 120 V CA 4.371 66.759 62.300 0.147 0.000 1.036 120 V CB 0.064 31.920 31.823 0.055 0.000 0.654 120 V HN -0.370 7.857 8.190 0.062 0.000 0.451 121 V N -0.141 119.687 119.914 -0.143 0.000 2.343 121 V HA -0.560 3.321 4.120 -0.398 0.000 0.247 121 V C 1.612 177.506 176.094 -0.333 0.000 1.051 121 V CA 4.796 66.882 62.300 -0.356 0.000 1.036 121 V CB -0.455 31.103 31.823 -0.441 0.000 0.654 121 V HN -0.002 8.103 8.190 -0.141 0.000 0.451 122 K N -0.588 119.717 120.400 -0.158 0.000 2.026 122 K HA -0.384 3.892 4.320 -0.074 0.000 0.208 122 K C 2.172 178.778 176.600 0.011 0.000 1.048 122 K CA 3.499 59.747 56.287 -0.066 0.000 0.929 122 K CB -0.170 32.304 32.500 -0.042 0.000 0.713 122 K HN -0.587 7.586 8.250 -0.128 0.000 0.439 123 M N -0.737 118.901 119.600 0.063 0.000 2.086 123 M HA -0.289 4.251 4.480 0.100 0.000 0.261 123 M C 1.972 178.300 176.300 0.048 0.000 1.067 123 M CA 2.740 58.098 55.300 0.097 0.000 1.116 123 M CB -0.339 32.380 32.600 0.198 0.000 1.348 123 M HN -0.777 7.567 8.290 0.091 0.000 0.407 124 A N -1.752 121.079 122.820 0.019 0.000 1.898 124 A HA -0.361 3.979 4.320 0.033 0.000 0.216 124 A C 1.871 179.549 177.584 0.156 0.000 1.181 124 A CA 2.817 54.883 52.037 0.050 0.000 0.620 124 A CB -0.451 18.564 19.000 0.026 0.000 0.819 124 A HN 0.062 8.205 8.150 -0.011 0.000 0.442 125 H N -1.090 117.983 119.070 0.006 0.000 2.389 125 H HA -0.230 4.332 4.556 0.010 0.000 0.299 125 H C 3.232 178.568 175.328 0.013 0.000 1.081 125 H CA 2.183 58.235 56.048 0.008 0.000 1.345 125 H CB 0.133 29.895 29.762 0.000 0.000 1.393 125 H HN 0.024 8.376 8.280 0.120 0.000 0.520 126 N N 0.812 119.598 118.700 0.143 0.000 2.272 126 N HA -0.232 4.553 4.740 0.076 0.000 0.185 126 N C 0.224 175.772 175.510 0.063 0.000 1.014 126 N CA 2.233 55.333 53.050 0.083 0.000 0.870 126 N CB 0.119 38.645 38.487 0.064 0.000 0.975 126 N HN -0.208 8.253 8.380 0.135 0.000 0.433 127 A N -3.709 119.152 122.820 0.068 0.000 2.387 127 A HA 0.263 4.608 4.320 0.043 0.000 0.234 127 A C 0.045 177.660 177.584 0.053 0.000 1.253 127 A CA -0.573 51.495 52.037 0.051 0.000 0.894 127 A CB 0.383 19.408 19.000 0.043 0.000 0.963 127 A HN -0.681 7.366 8.150 0.082 0.152 0.508 128 G N -0.459 108.375 108.800 0.056 0.000 2.176 128 G HA2 -0.330 3.641 3.960 0.017 0.000 0.252 128 G HA3 -0.330 3.650 3.960 0.032 0.000 0.252 128 G C -1.083 173.852 174.900 0.058 0.000 1.024 128 G CA 0.517 45.640 45.100 0.038 0.000 0.755 128 G HN -0.449 7.716 8.290 0.065 0.164 0.507 129 V N -1.346 118.624 119.914 0.094 0.000 2.628 129 V HA 0.041 4.227 4.120 0.110 0.000 0.306 129 V C -1.152 175.040 176.094 0.164 0.000 1.045 129 V CA -1.334 61.036 62.300 0.117 0.000 0.905 129 V CB 2.585 34.471 31.823 0.103 0.000 0.997 129 V HN -0.271 7.986 8.190 0.111 0.000 0.436 130 S N 4.817 120.615 115.700 0.164 0.000 2.632 130 S HA 0.298 5.008 4.470 0.163 -0.142 0.271 130 S C -0.974 173.651 174.600 0.040 0.000 1.260 130 S CA -0.765 57.521 58.200 0.144 0.000 1.010 130 S CB 1.184 64.534 63.200 0.250 0.000 0.965 130 S HN -0.296 8.120 8.310 0.177 0.000 0.534 131 V N 0.484 120.304 119.914 -0.157 0.000 2.709 131 V HA 0.627 4.894 4.120 -0.095 -0.204 0.308 131 V C -1.911 173.924 176.094 -0.431 0.000 1.062 131 V CA -1.732 60.452 62.300 -0.193 0.000 0.901 131 V CB 4.125 35.870 31.823 -0.130 0.000 1.003 131 V HN 0.441 8.811 8.190 -0.199 -0.299 0.425 132 E N 5.844 125.932 120.200 -0.186 0.000 2.195 132 E HA 0.878 5.365 4.350 -0.150 -0.227 0.271 132 E C -2.075 174.551 176.600 0.044 0.000 0.923 132 E CA -2.912 53.462 56.400 -0.044 0.000 0.790 132 E CB 4.077 33.950 29.700 0.287 0.000 1.155 132 E HN 0.230 8.569 8.360 -0.036 0.000 0.402 133 A N 3.449 126.314 122.820 0.075 0.000 2.486 133 A HA 0.870 5.406 4.320 0.056 -0.182 0.289 133 A C -2.460 175.114 177.584 -0.016 0.000 1.176 133 A CA -2.168 49.916 52.037 0.077 0.000 0.757 133 A CB 4.392 23.547 19.000 0.259 0.000 1.337 133 A HN 0.004 8.204 8.150 0.083 0.000 0.423 134 E N -0.911 119.222 120.200 -0.112 0.000 2.293 134 E HA 0.790 5.221 4.350 -0.146 -0.169 0.270 134 E C -1.758 174.681 176.600 -0.269 0.000 0.879 134 E CA -1.702 54.599 56.400 -0.166 0.000 0.756 134 E CB 3.790 33.406 29.700 -0.141 0.000 1.208 134 E HN 0.266 8.563 8.360 -0.104 0.000 0.428 135 L N 2.887 123.968 121.223 -0.238 0.000 2.422 135 L HA 0.310 4.526 4.340 -0.206 0.000 0.264 135 L C -1.894 174.910 176.870 -0.110 0.000 0.984 135 L CA -0.965 53.746 54.840 -0.215 0.000 0.819 135 L CB 3.580 45.476 42.059 -0.271 0.000 1.330 135 L HN 0.135 8.251 8.230 -0.189 0.000 0.410 136 G N 0.241 109.003 108.800 -0.064 0.000 2.663 136 G HA2 -0.327 3.617 3.960 -0.026 0.000 0.686 136 G HA3 -0.327 3.603 3.960 -0.048 0.000 0.686 136 G C -2.019 172.863 174.900 -0.031 0.000 1.288 136 G CA -0.614 44.461 45.100 -0.041 0.000 0.836 136 G HN 0.037 8.297 8.290 -0.050 0.000 0.584 137 R N 0.093 120.577 120.500 -0.025 0.000 2.295 137 R HA 0.257 4.587 4.340 -0.017 0.000 0.324 137 R C -0.379 175.890 176.300 -0.052 0.000 0.968 137 R CA -1.572 54.513 56.100 -0.024 0.000 0.837 137 R CB 1.355 31.650 30.300 -0.008 0.000 1.133 137 R HN -0.074 8.181 8.270 -0.025 0.000 0.450 138 L N 8.463 129.638 121.223 -0.081 0.000 2.600 138 L HA -0.126 4.145 4.340 -0.114 0.000 0.278 138 L C -0.865 175.939 176.870 -0.110 0.000 1.139 138 L CA 0.858 55.622 54.840 -0.127 0.000 0.933 138 L CB -0.708 41.208 42.059 -0.238 0.000 1.266 138 L HN 0.453 8.635 8.230 -0.079 0.000 0.471 139 M N 2.339 121.888 119.600 -0.085 0.000 2.895 139 M HA 0.150 4.574 4.480 -0.093 0.000 0.271 139 M C -1.359 174.912 176.300 -0.048 0.000 1.174 139 M CA -1.588 53.669 55.300 -0.071 0.000 0.816 139 M CB 4.901 37.474 32.600 -0.045 0.000 1.647 139 M HN -0.524 7.722 8.290 -0.073 0.000 0.506 140 G N -0.853 107.925 108.800 -0.036 0.000 2.544 140 G HA2 -0.025 4.153 3.960 0.056 0.000 0.242 140 G HA3 -0.025 3.966 3.960 0.052 0.000 0.242 140 G C -0.134 174.797 174.900 0.051 0.000 1.247 140 G CA -0.556 44.564 45.100 0.033 0.000 0.840 140 G HN 0.083 8.345 8.290 -0.047 0.000 0.578 153 V N 0.151 120.059 119.914 -0.011 0.000 2.300 153 V HA -0.040 4.077 4.120 -0.005 0.000 0.241 153 V C 0.633 176.717 176.094 -0.016 0.000 1.034 153 V CA 0.595 62.889 62.300 -0.010 0.000 1.021 153 V CB 0.578 32.395 31.823 -0.010 0.000 0.662 153 V HN -0.131 8.051 8.190 -0.012 0.000 0.458 154 L N -3.542 117.667 121.223 -0.022 0.000 2.482 154 L HA -0.086 4.235 4.340 -0.033 0.000 0.242 154 L C 0.672 177.523 176.870 -0.032 0.000 1.210 154 L CA -0.895 53.927 54.840 -0.030 0.000 0.819 154 L CB 0.117 42.156 42.059 -0.033 0.000 1.203 154 L HN -0.663 7.555 8.230 -0.021 0.000 0.495 155 V N -0.119 119.772 119.914 -0.038 0.000 2.694 155 V HA -0.271 3.823 4.120 -0.044 0.000 0.306 155 V C -1.709 174.363 176.094 -0.036 0.000 1.054 155 V CA 0.672 62.947 62.300 -0.041 0.000 1.161 155 V CB 1.236 33.033 31.823 -0.044 0.000 0.916 155 V HN -0.209 7.957 8.190 -0.041 0.000 0.490 156 N N 8.911 127.587 118.700 -0.040 0.000 2.439 156 N HA 0.286 5.002 4.740 -0.041 0.000 0.249 156 N C -1.298 174.189 175.510 -0.038 0.000 1.003 156 N CA -3.380 49.642 53.050 -0.046 0.000 0.942 156 N CB 0.355 38.799 38.487 -0.072 0.000 1.115 156 N HN 0.411 8.765 8.380 -0.042 0.000 0.505 157 P HA -0.223 4.196 4.420 -0.002 0.000 0.218 157 P C 0.845 178.143 177.300 -0.005 0.000 1.149 157 P CA 1.948 65.043 63.100 -0.009 0.000 0.817 157 P CB 0.458 32.155 31.700 -0.004 0.000 0.785 158 K N -4.160 116.225 120.400 -0.025 0.000 2.155 158 K HA -0.139 4.178 4.320 -0.006 0.000 0.203 158 K C 2.361 178.933 176.600 -0.047 0.000 1.052 158 K CA 1.803 58.072 56.287 -0.029 0.000 0.948 158 K CB -0.571 31.902 32.500 -0.044 0.000 0.728 158 K HN -0.408 7.981 8.250 -0.035 -0.160 0.448 159 E N 0.219 120.359 120.200 -0.101 0.000 2.077 159 E HA -0.330 3.824 4.350 -0.326 0.000 0.193 159 E C 2.087 178.768 176.600 0.135 0.000 0.989 159 E CA 3.124 59.429 56.400 -0.159 0.000 0.800 159 E CB -0.103 29.447 29.700 -0.251 0.000 0.746 159 E HN -0.741 7.762 8.360 -0.107 -0.207 0.452 160 A N -1.099 121.773 122.820 0.087 0.000 1.902 160 A HA -0.296 4.109 4.320 0.141 0.000 0.217 160 A C 1.750 179.440 177.584 0.178 0.000 1.181 160 A CA 3.344 55.455 52.037 0.122 0.000 0.623 160 A CB -0.989 18.036 19.000 0.042 0.000 0.818 160 A HN -0.134 7.953 8.150 0.029 0.080 0.443 161 E N -0.952 119.318 120.200 0.117 0.000 2.058 161 E HA -0.459 3.952 4.350 0.101 0.000 0.194 161 E C 1.962 178.648 176.600 0.142 0.000 0.997 161 E CA 3.171 59.635 56.400 0.106 0.000 0.801 161 E CB -0.178 29.559 29.700 0.062 0.000 0.746 161 E HN -0.415 7.993 8.360 0.080 0.000 0.450 162 Q N -0.740 119.163 119.800 0.172 0.000 2.079 162 Q HA -0.256 4.168 4.340 0.139 0.000 0.200 162 Q C 2.109 178.277 176.000 0.280 0.000 0.974 162 Q CA 2.913 58.838 55.803 0.204 0.000 0.840 162 Q CB 0.006 28.871 28.738 0.212 0.000 0.898 162 Q HN -0.773 7.588 8.270 0.153 0.000 0.430 163 F N 0.692 120.791 119.950 0.249 0.000 2.126 163 F HA -0.367 4.216 4.527 0.094 0.000 0.299 163 F C 1.503 177.333 175.800 0.049 0.000 1.096 163 F CA 3.804 61.895 58.000 0.151 0.000 1.255 163 F CB 0.318 39.436 39.000 0.196 0.000 0.997 163 F HN -0.146 8.507 8.300 0.588 0.000 0.479 164 V N -0.499 119.609 119.914 0.322 0.000 2.358 164 V HA -0.587 3.649 4.120 0.193 0.000 0.246 164 V C 2.141 178.270 176.094 0.057 0.000 1.047 164 V CA 3.799 66.209 62.300 0.184 0.000 1.035 164 V CB -0.047 31.882 31.823 0.176 0.000 0.658 164 V HN -0.200 8.204 8.190 0.357 0.000 0.452 165 K N -0.212 120.226 120.400 0.063 0.000 2.063 165 K HA -0.328 4.009 4.320 0.029 0.000 0.208 165 K C 2.096 178.687 176.600 -0.015 0.000 1.048 165 K CA 3.316 59.621 56.287 0.029 0.000 0.928 165 K CB -0.169 32.357 32.500 0.043 0.000 0.713 165 K HN -0.706 7.602 8.250 0.096 0.000 0.442 166 E N -2.526 117.645 120.200 -0.048 0.000 2.230 166 E HA -0.122 4.190 4.350 -0.063 0.000 0.192 166 E C 1.519 178.014 176.600 -0.175 0.000 0.987 166 E CA 1.922 58.264 56.400 -0.095 0.000 0.841 166 E CB 0.441 30.089 29.700 -0.087 0.000 0.783 166 E HN -0.386 7.953 8.360 -0.035 0.000 0.481 167 S N -1.926 113.615 115.700 -0.265 0.000 2.470 167 S HA 0.018 4.301 4.470 -0.312 0.000 0.222 167 S C 0.503 174.986 174.600 -0.195 0.000 1.024 167 S CA 1.056 59.061 58.200 -0.325 0.000 0.931 167 S CB 1.894 64.745 63.200 -0.582 0.000 0.791 167 S HN -0.559 7.587 8.310 -0.273 0.000 0.513 168 Q N -3.502 116.235 119.800 -0.105 0.000 2.494 168 Q HA -0.406 4.007 4.340 0.014 -0.065 0.266 168 Q C -0.782 175.220 176.000 0.002 0.000 1.053 168 Q CA 1.125 56.919 55.803 -0.015 0.000 1.029 168 Q CB -2.850 25.906 28.738 0.029 0.000 1.423 168 Q HN -0.367 7.846 8.270 -0.095 0.000 0.516 169 V N -2.517 117.367 119.914 -0.050 0.000 2.901 169 V HA -0.357 3.709 4.120 -0.089 0.000 0.307 169 V C -0.033 176.070 176.094 0.015 0.000 1.084 169 V CA 1.538 63.817 62.300 -0.036 0.000 1.184 169 V CB -0.053 31.785 31.823 0.026 0.000 0.941 169 V HN -0.614 7.493 8.190 -0.080 0.035 0.493 170 D N 5.380 125.748 120.400 -0.054 0.000 2.162 170 D HA -0.089 4.592 4.640 0.067 0.000 0.203 170 D C -0.318 176.028 176.300 0.078 0.000 0.967 170 D CA 2.542 56.525 54.000 -0.028 0.000 0.840 170 D CB 1.266 42.004 40.800 -0.103 0.000 0.972 170 D HN -0.119 8.173 8.370 -0.129 0.000 0.482 171 Y N -7.175 113.168 120.300 0.072 0.000 2.597 171 Y HA 0.407 5.071 4.550 0.003 -0.112 0.340 171 Y C -1.954 173.978 175.900 0.053 0.000 1.097 171 Y CA -2.218 55.899 58.100 0.028 0.000 1.037 171 Y CB 2.639 41.089 38.460 -0.016 0.000 1.305 171 Y HN -0.566 7.502 8.280 -0.354 0.000 0.463 172 L N 0.842 122.177 121.223 0.185 0.000 2.386 172 L HA 0.653 5.201 4.340 0.094 -0.151 0.271 172 L C -2.057 174.862 176.870 0.081 0.000 0.993 172 L CA -1.842 53.059 54.840 0.102 0.000 0.819 172 L CB 4.841 46.941 42.059 0.068 0.000 1.294 172 L HN -0.242 8.095 8.230 0.178 0.000 0.414 173 A N 4.445 127.294 122.820 0.048 0.000 2.322 173 A HA 0.842 5.399 4.320 0.086 -0.186 0.327 173 A C -2.937 174.634 177.584 -0.021 0.000 1.394 173 A CA -3.925 48.145 52.037 0.055 0.000 0.921 173 A CB 0.564 19.619 19.000 0.090 0.000 1.153 173 A HN 0.692 8.854 8.150 0.019 0.000 0.523 174 P HA 0.524 5.062 4.420 -0.059 -0.153 0.297 174 P C -1.542 175.739 177.300 -0.030 0.000 1.319 174 P CA -1.671 61.409 63.100 -0.033 0.000 0.810 174 P CB 1.291 32.982 31.700 -0.016 0.000 0.947 175 A N 3.604 126.395 122.820 -0.049 0.000 2.451 175 A HA 0.103 4.396 4.320 -0.046 0.000 0.266 175 A C -0.505 177.050 177.584 -0.048 0.000 1.119 175 A CA -0.194 51.813 52.037 -0.050 0.000 0.786 175 A CB 0.732 19.698 19.000 -0.058 0.000 1.061 175 A HN -0.076 8.038 8.150 -0.059 0.000 0.503 176 I N -3.053 117.485 120.570 -0.052 0.000 4.160 176 I HA 0.309 4.434 4.170 -0.075 0.000 0.325 176 I C -0.328 175.738 176.117 -0.085 0.000 1.455 176 I CA -1.331 59.920 61.300 -0.081 0.000 1.142 176 I CB 0.574 38.505 38.000 -0.114 0.000 1.262 176 I HN 0.295 8.478 8.210 -0.045 0.000 0.483 177 G N -0.936 107.840 108.800 -0.040 0.000 2.273 177 G HA2 -0.297 3.828 3.960 0.008 0.000 0.162 177 G HA3 -0.297 3.680 3.960 0.029 0.000 0.162 177 G C -0.588 174.335 174.900 0.037 0.000 1.006 177 G CA -0.271 44.836 45.100 0.011 0.000 0.704 177 G HN 0.161 8.426 8.290 -0.042 0.000 0.487 178 T N -3.263 111.285 114.554 -0.010 0.000 2.824 178 T HA -0.000 4.278 4.350 -0.120 0.000 0.277 178 T C -2.015 172.591 174.700 -0.157 0.000 0.975 178 T CA -1.501 60.555 62.100 -0.074 0.000 0.966 178 T CB 1.552 70.412 68.868 -0.013 0.000 1.054 178 T HN -0.528 7.703 8.240 -0.015 0.000 0.533 179 S N -1.618 113.955 115.700 -0.213 0.000 2.588 179 S HA 0.310 4.607 4.470 -0.288 0.000 0.269 179 S C -1.251 173.251 174.600 -0.164 0.000 1.157 179 S CA -1.516 56.547 58.200 -0.229 0.000 0.824 179 S CB 2.620 65.710 63.200 -0.184 0.000 1.126 179 S HN 0.013 8.186 8.310 -0.228 0.000 0.464 180 H N 1.873 120.931 119.070 -0.020 0.000 2.707 180 H HA 0.062 4.624 4.556 0.011 0.000 0.359 180 H C 0.877 176.196 175.328 -0.015 0.000 1.113 180 H CA 1.282 57.327 56.048 -0.004 0.000 1.422 180 H CB 0.395 30.156 29.762 -0.001 0.000 1.443 180 H HN 0.309 8.442 8.280 -0.246 0.000 0.591 181 G N 0.906 109.782 108.800 0.127 0.000 2.685 181 G HA2 -0.237 3.748 3.960 0.042 0.000 0.387 181 G HA3 -0.237 3.791 3.960 0.114 0.000 0.387 181 G C -1.019 173.852 174.900 -0.048 0.000 1.324 181 G CA -0.583 44.555 45.100 0.063 0.000 0.878 181 G HN 0.252 8.622 8.290 0.133 0.000 0.527 182 A N 0.116 122.832 122.820 -0.172 0.000 2.251 182 A HA 0.006 4.112 4.320 -0.357 0.000 0.209 182 A C -0.851 176.259 177.584 -0.790 0.000 1.187 182 A CA 0.721 52.437 52.037 -0.535 0.000 0.823 182 A CB 0.481 19.023 19.000 -0.763 0.000 0.846 182 A HN 0.319 8.423 8.150 -0.078 0.000 0.486 183 F N -4.941 114.969 119.950 -0.067 0.000 2.438 183 F HA 0.221 4.718 4.527 -0.050 0.000 0.315 183 F C -0.134 175.582 175.800 -0.140 0.000 1.258 183 F CA -0.797 57.161 58.000 -0.070 0.000 1.180 183 F CB -1.153 37.821 39.000 -0.044 0.000 1.412 183 F HN -0.466 7.805 8.300 0.045 0.056 0.544 184 K N -1.079 119.211 120.400 -0.183 0.000 2.314 184 K HA 0.046 4.133 4.320 -0.389 0.000 0.198 184 K C -1.165 175.015 176.600 -0.700 0.000 1.045 184 K CA 1.257 57.223 56.287 -0.536 0.000 0.988 184 K CB 1.300 33.258 32.500 -0.903 0.000 0.783 184 K HN -0.378 7.754 8.250 -0.196 0.000 0.484 185 F N -3.297 116.674 119.950 0.034 0.000 2.573 185 F HA 0.113 4.655 4.527 0.025 0.000 0.316 185 F C -1.035 174.785 175.800 0.034 0.000 1.148 185 F CA -1.385 56.629 58.000 0.023 0.000 0.940 185 F CB 2.390 41.387 39.000 -0.005 0.000 1.214 185 F HN -0.625 7.683 8.300 0.012 0.000 0.448 186 K N 5.118 125.644 120.400 0.210 0.000 2.248 186 K HA 0.159 4.557 4.320 0.130 0.000 0.281 186 K C 0.512 177.187 176.600 0.124 0.000 1.054 186 K CA -0.150 56.220 56.287 0.138 0.000 0.903 186 K CB 0.362 32.917 32.500 0.092 0.000 1.077 186 K HN 0.250 8.614 8.250 0.192 0.000 0.474 187 G N 5.117 113.969 108.800 0.087 0.000 2.681 187 G HA2 -0.246 3.731 3.960 0.029 0.000 0.220 187 G HA3 -0.246 3.739 3.960 0.043 0.000 0.220 187 G C -1.099 173.806 174.900 0.008 0.000 1.353 187 G CA -0.651 44.475 45.100 0.044 0.000 0.872 187 G HN 0.113 8.452 8.290 0.082 0.000 0.557 188 E N 2.096 122.271 120.200 -0.042 0.000 2.360 188 E HA 0.154 4.414 4.350 -0.149 0.000 0.269 188 E C -1.566 174.861 176.600 -0.289 0.000 1.022 188 E CA -1.652 54.670 56.400 -0.130 0.000 0.887 188 E CB 0.511 30.165 29.700 -0.077 0.000 0.990 188 E HN 0.154 8.500 8.360 -0.023 0.000 0.426 189 P HA -0.068 3.011 4.420 -2.235 0.000 0.266 189 P C -1.658 175.389 177.300 -0.423 0.000 1.195 189 P CA 0.518 62.858 63.100 -1.267 0.000 0.768 189 P CB 0.534 31.391 31.700 -1.406 0.000 0.838 190 K N 1.658 121.889 120.400 -0.282 0.000 2.550 190 K HA 0.246 4.691 4.320 0.208 0.000 0.252 190 K C -2.023 174.621 176.600 0.072 0.000 0.943 190 K CA -0.394 55.938 56.287 0.076 0.000 0.806 190 K CB 2.636 35.155 32.500 0.032 0.000 1.289 190 K HN 0.102 8.037 8.250 -0.525 0.000 0.435 191 L N 1.865 122.997 121.223 -0.151 0.000 2.350 191 L HA 0.398 4.721 4.340 -0.203 -0.105 0.260 191 L C -1.025 175.475 176.870 -0.617 0.000 1.015 191 L CA -1.530 53.049 54.840 -0.436 0.000 0.821 191 L CB 3.418 45.010 42.059 -0.778 0.000 1.370 191 L HN 0.065 8.162 8.230 -0.222 0.000 0.416 192 D N 1.771 121.897 120.400 -0.456 0.000 2.524 192 D HA 0.168 4.682 4.640 -0.209 0.000 0.222 192 D C 0.255 176.390 176.300 -0.274 0.000 1.142 192 D CA -1.651 52.184 54.000 -0.274 0.000 0.973 192 D CB -0.770 39.950 40.800 -0.134 0.000 1.025 192 D HN 0.082 8.226 8.370 -0.376 0.000 0.519 193 F N 2.980 122.889 119.950 -0.069 0.000 2.325 193 F HA -0.243 4.250 4.527 -0.057 0.000 0.299 193 F C 1.522 177.294 175.800 -0.047 0.000 1.090 193 F CA 2.741 60.699 58.000 -0.070 0.000 1.392 193 F CB 0.127 39.059 39.000 -0.113 0.000 1.053 193 F HN -0.437 7.751 8.300 -0.187 0.000 0.521 194 E N -1.121 119.143 120.200 0.107 0.000 2.072 194 E HA -0.343 4.046 4.350 0.065 0.000 0.191 194 E C 2.314 178.934 176.600 0.033 0.000 0.985 194 E CA 2.935 59.370 56.400 0.059 0.000 0.801 194 E CB -0.779 28.941 29.700 0.034 0.000 0.750 194 E HN -0.211 8.278 8.360 0.085 -0.078 0.452 195 R N -0.455 120.051 120.500 0.010 0.000 2.081 195 R HA -0.274 4.065 4.340 -0.000 0.000 0.235 195 R C 2.289 178.595 176.300 0.009 0.000 1.131 195 R CA 2.925 59.024 56.100 -0.003 0.000 0.960 195 R CB -0.099 30.185 30.300 -0.026 0.000 0.856 195 R HN -0.650 7.879 8.270 -0.003 -0.261 0.436 196 L N -0.983 120.252 121.223 0.020 0.000 2.012 196 L HA -0.372 3.983 4.340 0.026 0.000 0.210 196 L C 1.678 178.580 176.870 0.052 0.000 1.073 196 L CA 3.277 58.142 54.840 0.042 0.000 0.748 196 L CB -0.306 41.805 42.059 0.086 0.000 0.891 196 L HN -0.567 7.672 8.230 0.014 0.000 0.431 197 Q N -2.233 117.604 119.800 0.061 0.000 2.167 197 Q HA -0.352 4.017 4.340 0.049 0.000 0.202 197 Q C 2.755 178.776 176.000 0.035 0.000 0.970 197 Q CA 3.046 58.878 55.803 0.048 0.000 0.855 197 Q CB -0.186 28.578 28.738 0.043 0.000 0.911 197 Q HN -0.304 8.008 8.270 0.071 0.000 0.438 198 E N 0.620 120.837 120.200 0.029 0.000 2.072 198 E HA -0.243 4.120 4.350 0.022 0.000 0.191 198 E C 2.271 178.887 176.600 0.026 0.000 0.985 198 E CA 2.620 59.033 56.400 0.022 0.000 0.801 198 E CB -0.415 29.293 29.700 0.014 0.000 0.750 198 E HN -0.643 7.734 8.360 0.028 0.000 0.452 199 V N -0.017 119.912 119.914 0.025 0.000 2.332 199 V HA -0.559 3.578 4.120 0.028 0.000 0.248 199 V C 2.273 178.391 176.094 0.041 0.000 1.055 199 V CA 4.382 66.699 62.300 0.029 0.000 1.038 199 V CB -0.238 31.598 31.823 0.021 0.000 0.651 199 V HN -0.302 7.902 8.190 0.022 0.000 0.450 200 K N -0.209 120.219 120.400 0.046 0.000 2.026 200 K HA -0.254 4.106 4.320 0.066 0.000 0.208 200 K C 1.860 178.497 176.600 0.063 0.000 1.048 200 K CA 2.478 58.801 56.287 0.061 0.000 0.929 200 K CB -0.502 32.036 32.500 0.064 0.000 0.713 200 K HN -0.281 7.996 8.250 0.044 0.000 0.439 201 R N -0.736 119.793 120.500 0.048 0.000 2.091 201 R HA -0.229 4.139 4.340 0.047 0.000 0.238 201 R C 2.141 178.468 176.300 0.045 0.000 1.136 201 R CA 2.935 59.062 56.100 0.043 0.000 0.959 201 R CB -0.187 30.132 30.300 0.031 0.000 0.856 201 R HN -0.551 7.744 8.270 0.042 0.000 0.437 202 L N -5.282 115.967 121.223 0.042 0.000 2.341 202 L HA -0.002 4.361 4.340 0.039 0.000 0.214 202 L C 1.447 178.348 176.870 0.051 0.000 1.115 202 L CA 1.840 56.705 54.840 0.042 0.000 0.820 202 L CB 0.492 42.574 42.059 0.037 0.000 0.944 202 L HN -0.499 7.740 8.230 0.041 0.015 0.452 203 T N -6.799 107.789 114.554 0.056 0.000 3.042 203 T HA -0.060 4.328 4.350 0.064 0.000 0.245 203 T C 0.915 175.644 174.700 0.048 0.000 1.029 203 T CA 0.211 62.346 62.100 0.059 0.000 1.120 203 T CB 1.517 70.424 68.868 0.064 0.000 0.917 203 T HN -0.357 7.917 8.240 0.055 0.000 0.467 204 N N 1.798 120.534 118.700 0.061 0.000 2.727 204 N HA -0.433 4.458 4.740 0.155 -0.057 0.249 204 N C -1.590 173.889 175.510 -0.052 0.000 1.048 204 N CA 1.450 54.551 53.050 0.084 0.000 0.714 204 N CB -1.533 37.010 38.487 0.093 0.000 0.959 204 N HN -0.141 8.281 8.380 0.070 0.000 0.544 205 I N -9.190 111.312 120.570 -0.113 0.000 3.108 205 I HA 0.654 4.550 4.170 -0.457 0.000 0.312 205 I C -2.290 173.671 176.117 -0.260 0.000 1.095 205 I CA -3.843 57.302 61.300 -0.259 0.000 1.000 205 I CB 1.344 39.309 38.000 -0.057 0.000 1.229 205 I HN -0.968 7.204 8.210 -0.034 0.017 0.454 206 P HA 0.226 4.828 4.420 -0.070 -0.224 0.269 206 P C -1.126 176.166 177.300 -0.014 0.000 1.209 206 P CA -0.182 62.850 63.100 -0.113 0.000 0.776 206 P CB 0.383 31.992 31.700 -0.152 0.000 0.876 207 L N 0.079 121.289 121.223 -0.021 0.000 2.333 207 L HA 0.753 5.287 4.340 0.041 -0.170 0.269 207 L C -0.580 176.266 176.870 -0.039 0.000 1.010 207 L CA -1.511 53.333 54.840 0.007 0.000 0.818 207 L CB 4.159 46.232 42.059 0.024 0.000 1.306 207 L HN -0.477 7.871 8.230 -0.031 -0.137 0.430 208 V N -0.327 119.588 119.914 0.002 0.000 2.540 208 V HA 0.501 4.727 4.120 -0.121 -0.178 0.302 208 V C -1.501 174.618 176.094 0.042 0.000 1.035 208 V CA -1.473 60.809 62.300 -0.029 0.000 0.873 208 V CB 2.801 34.641 31.823 0.028 0.000 0.992 208 V HN 0.260 8.474 8.190 0.041 0.000 0.428 209 L N 7.518 128.733 121.223 -0.013 0.000 2.262 209 L HA 0.464 4.853 4.340 0.082 0.000 0.288 209 L C -2.022 174.864 176.870 0.027 0.000 1.035 209 L CA -1.783 53.081 54.840 0.039 0.000 0.820 209 L CB 2.062 44.138 42.059 0.028 0.000 1.204 209 L HN 0.346 8.528 8.230 -0.081 0.000 0.424 210 H N 6.334 125.410 119.070 0.010 0.000 2.508 210 H HA 0.094 4.706 4.556 0.094 0.000 0.358 210 H C 0.523 175.877 175.328 0.043 0.000 1.212 210 H CA 0.947 57.036 56.048 0.069 0.000 1.356 210 H CB 2.344 32.179 29.762 0.122 0.000 1.525 210 H HN 0.500 8.960 8.280 0.301 0.000 0.578 211 G N -0.976 107.961 108.800 0.227 0.000 2.323 211 G HA2 -0.459 3.633 3.960 0.220 0.000 0.292 211 G HA3 -0.459 3.663 3.960 0.053 -0.130 0.292 211 G C -1.004 173.937 174.900 0.069 0.000 1.040 211 G CA 0.554 45.739 45.100 0.142 0.000 0.942 211 G HN 0.798 9.287 8.290 0.331 0.000 0.506 212 A N -2.377 120.483 122.820 0.066 0.000 2.379 212 A HA 0.166 4.541 4.320 0.092 0.000 0.236 212 A C -0.893 176.742 177.584 0.085 0.000 1.272 212 A CA -0.742 51.337 52.037 0.070 0.000 0.886 212 A CB 0.681 19.704 19.000 0.037 0.000 0.962 212 A HN -0.631 7.554 8.150 0.058 0.000 0.504 213 S N -2.299 113.442 115.700 0.069 0.000 2.579 213 S HA -0.212 4.319 4.470 0.101 0.000 0.275 213 S C 0.003 174.649 174.600 0.077 0.000 1.345 213 S CA 0.517 58.761 58.200 0.075 0.000 1.031 213 S CB 1.016 64.240 63.200 0.039 0.000 0.892 213 S HN -0.646 7.646 8.310 0.058 0.053 0.529 214 A N 3.494 126.374 122.820 0.101 0.000 2.140 214 A HA 0.405 5.008 4.320 0.048 -0.253 0.209 214 A C -0.180 177.375 177.584 -0.048 0.000 1.181 214 A CA -0.724 51.348 52.037 0.059 0.000 0.824 214 A CB 1.624 20.743 19.000 0.199 0.000 0.879 214 A HN 0.392 9.077 8.150 0.127 -0.459 0.480 215 I N -2.490 118.064 120.570 -0.026 0.000 6.399 215 I HA -0.435 3.773 4.170 -0.042 -0.064 0.126 215 I C -2.970 173.097 176.117 -0.084 0.000 1.513 215 I CA -0.324 60.938 61.300 -0.064 0.000 2.479 215 I CB -2.117 35.811 38.000 -0.119 0.000 2.875 215 I HN -0.329 8.208 8.210 0.004 -0.324 0.285 216 P HA 0.079 4.374 4.420 -0.208 0.000 0.269 216 P C -0.211 177.074 177.300 -0.024 0.000 1.215 216 P CA -0.486 62.593 63.100 -0.034 0.000 0.780 216 P CB 0.706 32.525 31.700 0.198 0.000 0.898 217 D N 1.596 121.970 120.400 -0.043 0.000 2.123 217 D HA -0.381 4.239 4.640 -0.033 0.000 0.196 217 D C 1.535 177.848 176.300 0.022 0.000 0.992 217 D CA 4.207 58.196 54.000 -0.019 0.000 0.833 217 D CB -0.238 40.551 40.800 -0.019 0.000 0.954 217 D HN 0.451 8.778 8.370 -0.072 0.000 0.455 218 N N -1.284 117.445 118.700 0.048 0.000 2.270 218 N HA -0.216 4.551 4.740 0.045 0.000 0.181 218 N C 2.095 177.642 175.510 0.061 0.000 1.016 218 N CA 2.838 55.920 53.050 0.054 0.000 0.870 218 N CB -0.981 37.543 38.487 0.062 0.000 0.979 218 N HN 0.464 8.882 8.380 0.064 0.000 0.431 219 V N 2.271 122.225 119.914 0.066 0.000 2.323 219 V HA -0.482 3.690 4.120 0.085 0.000 0.244 219 V C 1.546 177.690 176.094 0.083 0.000 1.041 219 V CA 3.922 66.267 62.300 0.075 0.000 1.025 219 V CB -0.170 31.692 31.823 0.065 0.000 0.656 219 V HN -0.942 7.288 8.190 0.067 0.000 0.451 220 R N -0.442 120.087 120.500 0.050 0.000 2.083 220 R HA -0.429 3.950 4.340 0.066 0.000 0.237 220 R C 1.682 178.042 176.300 0.099 0.000 1.137 220 R CA 3.893 60.029 56.100 0.059 0.000 0.951 220 R CB -0.244 30.063 30.300 0.013 0.000 0.851 220 R HN -0.157 8.131 8.270 0.029 0.000 0.434 221 K N -1.351 119.090 120.400 0.069 0.000 2.057 221 K HA -0.284 4.070 4.320 0.057 0.000 0.207 221 K C 2.076 178.718 176.600 0.070 0.000 1.049 221 K CA 3.358 59.681 56.287 0.060 0.000 0.931 221 K CB -0.277 32.247 32.500 0.040 0.000 0.714 221 K HN -0.214 8.068 8.250 0.054 0.000 0.440 222 S N 0.170 115.919 115.700 0.083 0.000 2.359 222 S HA -0.351 4.150 4.470 0.051 0.000 0.224 222 S C 1.936 176.598 174.600 0.104 0.000 1.035 222 S CA 3.668 61.916 58.200 0.081 0.000 1.018 222 S CB 0.074 63.327 63.200 0.089 0.000 0.876 222 S HN -0.379 7.980 8.310 0.083 0.000 0.448 223 Y N 2.527 122.843 120.300 0.027 0.000 2.200 223 Y HA -0.371 4.203 4.550 0.041 0.000 0.290 223 Y C 1.716 177.635 175.900 0.032 0.000 1.137 223 Y CA 3.839 61.959 58.100 0.034 0.000 1.163 223 Y CB 0.161 38.642 38.460 0.035 0.000 0.988 223 Y HN -0.503 7.939 8.280 0.270 0.000 0.518 224 L N -1.451 119.841 121.223 0.116 0.000 2.109 224 L HA -0.285 4.227 4.340 0.026 -0.156 0.207 224 L C 2.838 179.698 176.870 -0.017 0.000 1.086 224 L CA 2.354 57.221 54.840 0.044 0.000 0.760 224 L CB -0.365 41.741 42.059 0.078 0.000 0.910 224 L HN -0.215 8.115 8.230 0.167 0.000 0.437 225 D N 0.099 120.496 120.400 -0.005 0.000 2.218 225 D HA -0.199 4.434 4.640 -0.012 0.000 0.204 225 D C 0.808 177.080 176.300 -0.046 0.000 0.976 225 D CA 2.542 56.532 54.000 -0.016 0.000 0.853 225 D CB -0.406 40.392 40.800 -0.003 0.000 0.939 225 D HN -0.017 8.364 8.370 0.018 0.000 0.481 226 A N -3.584 119.183 122.820 -0.087 0.000 2.302 226 A HA -0.011 4.261 4.320 -0.079 0.000 0.219 226 A C -0.159 177.332 177.584 -0.155 0.000 1.243 226 A CA -0.270 51.696 52.037 -0.119 0.000 0.856 226 A CB -0.153 18.760 19.000 -0.145 0.000 0.893 226 A HN -0.799 7.155 8.150 -0.097 0.137 0.491 227 G N -2.572 106.148 108.800 -0.134 0.000 2.141 227 G HA2 -0.303 3.617 3.960 -0.067 0.000 0.242 227 G HA3 -0.303 3.605 3.960 -0.088 0.000 0.242 227 G C 0.127 174.935 174.900 -0.152 0.000 0.982 227 G CA -0.090 44.947 45.100 -0.106 0.000 0.662 227 G HN -0.323 7.717 8.290 -0.110 0.185 0.527 228 G N -0.306 108.304 108.800 -0.316 0.000 2.572 228 G HA2 -0.042 3.736 3.960 -0.303 0.000 0.261 228 G HA3 -0.042 3.345 3.960 -1.057 -0.061 0.261 228 G C -1.740 173.187 174.900 0.045 0.000 1.197 228 G CA -0.973 43.887 45.100 -0.400 0.000 0.870 228 G HN -0.434 7.592 8.290 -0.375 0.039 0.548 229 D N -0.873 119.683 120.400 0.261 0.000 2.440 229 D HA 0.200 4.949 4.640 0.183 0.000 0.239 229 D C -0.782 175.708 176.300 0.317 0.000 1.084 229 D CA -0.790 53.355 54.000 0.241 0.000 0.843 229 D CB 0.275 41.178 40.800 0.171 0.000 1.097 229 D HN 0.138 8.720 8.370 0.353 0.000 0.531 230 L N 4.595 125.966 121.223 0.247 0.000 3.288 230 L HA 0.157 4.607 4.340 0.183 0.000 0.293 230 L C -1.015 175.960 176.870 0.175 0.000 1.294 230 L CA -1.155 53.786 54.840 0.168 0.000 1.006 230 L CB 0.740 42.836 42.059 0.062 0.000 1.407 230 L HN 0.347 8.707 8.230 0.216 0.000 0.592 231 K N 1.741 122.263 120.400 0.203 0.000 2.472 231 K HA -0.238 4.160 4.320 0.131 0.000 0.280 231 K C 0.840 177.593 176.600 0.255 0.000 1.028 231 K CA 2.285 58.675 56.287 0.172 0.000 1.045 231 K CB 0.088 32.663 32.500 0.126 0.000 0.902 231 K HN -0.422 8.237 8.250 0.199 -0.290 0.478 232 G N 4.042 112.954 108.800 0.187 0.000 2.176 232 G HA2 -0.307 3.743 3.960 0.150 0.000 0.253 232 G HA3 -0.307 3.805 3.960 0.254 0.000 0.253 232 G C -0.375 174.676 174.900 0.252 0.000 0.979 232 G CA -0.221 45.011 45.100 0.220 0.000 0.641 232 G HN 0.486 8.855 8.290 0.131 0.000 0.530 233 S N 1.009 116.764 115.700 0.092 0.000 2.564 233 S HA -0.117 4.169 4.470 -0.447 -0.084 0.278 233 S C -0.577 173.947 174.600 -0.127 0.000 1.333 233 S CA -0.120 57.915 58.200 -0.276 0.000 1.048 233 S CB 1.346 64.223 63.200 -0.538 0.000 0.900 233 S HN -0.527 7.784 8.310 0.091 0.054 0.505 234 K N 3.710 124.032 120.400 -0.130 0.000 2.550 234 K HA 0.306 4.598 4.320 -0.047 0.000 0.252 234 K C -1.584 175.009 176.600 -0.011 0.000 0.943 234 K CA -0.708 55.568 56.287 -0.019 0.000 0.806 234 K CB 3.636 36.204 32.500 0.114 0.000 1.289 234 K HN -0.061 8.073 8.250 -0.193 0.000 0.435 235 G N 2.514 111.312 108.800 -0.005 0.000 2.753 235 G HA2 0.600 4.549 3.960 -0.019 0.000 0.285 235 G HA3 0.600 4.564 3.960 -0.023 -0.017 0.285 235 G C -1.229 173.770 174.900 0.166 0.000 1.344 235 G CA -2.053 43.059 45.100 0.019 0.000 1.050 235 G HN -0.210 8.058 8.290 -0.036 0.000 0.532 236 V N 1.549 121.569 119.914 0.176 0.000 2.470 236 V HA 0.033 4.378 4.120 0.374 0.000 0.276 236 V C -1.304 174.810 176.094 0.033 0.000 1.040 236 V CA -1.798 60.642 62.300 0.235 0.000 1.008 236 V CB 0.164 32.150 31.823 0.272 0.000 0.990 236 V HN 0.077 8.342 8.190 0.125 0.000 0.477 237 P HA -0.014 4.209 4.420 -0.329 0.000 0.267 237 P C 0.090 177.421 177.300 0.053 0.000 1.200 237 P CA 0.130 63.076 63.100 -0.256 0.000 0.772 237 P CB 0.668 32.031 31.700 -0.562 0.000 0.855 238 F N 2.618 122.583 119.950 0.024 0.000 2.091 238 F HA -0.447 4.125 4.527 0.075 0.000 0.299 238 F C 1.899 177.766 175.800 0.112 0.000 1.103 238 F CA 3.556 61.596 58.000 0.065 0.000 1.228 238 F CB -0.801 38.222 39.000 0.040 0.000 0.984 238 F HN 0.419 8.580 8.300 -0.233 0.000 0.477 239 E N -1.612 118.779 120.200 0.319 0.000 2.160 239 E HA -0.245 4.419 4.350 0.208 -0.189 0.195 239 E C 2.628 179.449 176.600 0.367 0.000 0.991 239 E CA 3.295 59.862 56.400 0.278 0.000 0.810 239 E CB -0.812 29.036 29.700 0.246 0.000 0.742 239 E HN 0.466 8.984 8.360 0.263 0.000 0.466 240 F N -0.972 119.053 119.950 0.126 0.000 2.206 240 F HA -0.162 4.473 4.527 0.180 0.000 0.298 240 F C 1.897 177.832 175.800 0.225 0.000 1.090 240 F CA 1.445 59.574 58.000 0.216 0.000 1.323 240 F CB -0.429 38.745 39.000 0.291 0.000 1.028 240 F HN -0.736 7.819 8.300 0.602 0.107 0.492 241 L N -0.927 120.526 121.223 0.383 0.000 2.046 241 L HA -0.480 4.018 4.340 0.265 0.000 0.208 241 L C 2.294 179.263 176.870 0.164 0.000 1.077 241 L CA 3.338 58.333 54.840 0.259 0.000 0.747 241 L CB -0.808 41.389 42.059 0.230 0.000 0.896 241 L HN -0.471 7.911 8.230 0.390 0.082 0.432 242 Q N -1.697 118.184 119.800 0.135 0.000 2.084 242 Q HA -0.413 3.957 4.340 0.050 0.000 0.202 242 Q C 2.581 178.576 176.000 -0.007 0.000 0.978 242 Q CA 3.440 59.277 55.803 0.056 0.000 0.844 242 Q CB -0.175 28.591 28.738 0.047 0.000 0.898 242 Q HN -0.247 8.126 8.270 0.172 0.000 0.426 243 E N -0.437 119.717 120.200 -0.077 0.000 2.110 243 E HA -0.294 3.891 4.350 -0.274 0.000 0.193 243 E C 2.465 178.954 176.600 -0.186 0.000 0.988 243 E CA 2.624 58.839 56.400 -0.308 0.000 0.804 243 E CB -0.467 28.759 29.700 -0.792 0.000 0.745 243 E HN -0.359 7.980 8.360 -0.035 0.000 0.458 244 S N 0.278 116.025 115.700 0.078 0.000 2.368 244 S HA -0.252 4.414 4.470 0.327 0.000 0.225 244 S C 2.437 177.092 174.600 0.092 0.000 1.030 244 S CA 3.594 61.924 58.200 0.216 0.000 0.999 244 S CB -0.496 62.857 63.200 0.254 0.000 0.844 244 S HN -0.355 7.953 8.310 0.140 0.086 0.459 245 V N 2.345 122.292 119.914 0.054 0.000 2.343 245 V HA -0.410 3.920 4.120 0.021 -0.198 0.247 245 V C 2.800 178.896 176.094 0.004 0.000 1.051 245 V CA 3.851 66.166 62.300 0.025 0.000 1.036 245 V CB -0.291 31.550 31.823 0.031 0.000 0.654 245 V HN -0.482 7.744 8.190 0.060 0.000 0.451 246 K N -1.370 119.020 120.400 -0.017 0.000 2.147 246 K HA -0.238 4.066 4.320 -0.027 0.000 0.205 246 K C 1.908 178.492 176.600 -0.026 0.000 1.049 246 K CA 2.600 58.866 56.287 -0.035 0.000 0.936 246 K CB -0.286 32.173 32.500 -0.068 0.000 0.722 246 K HN -0.394 7.840 8.250 -0.027 0.000 0.446 247 G N -5.260 103.536 108.800 -0.007 0.000 2.813 247 G HA2 0.063 4.030 3.960 0.012 0.000 0.209 247 G HA3 0.063 4.062 3.960 0.065 0.000 0.209 247 G C -0.641 174.284 174.900 0.041 0.000 1.150 247 G CA -0.198 44.919 45.100 0.029 0.000 0.785 247 G HN -0.479 7.687 8.290 -0.003 0.122 0.535 248 G N -2.372 106.447 108.800 0.031 0.000 2.227 248 G HA2 -0.219 3.757 3.960 0.026 0.000 0.168 248 G HA3 -0.219 3.773 3.960 0.053 0.000 0.168 248 G C -0.587 174.333 174.900 0.033 0.000 1.006 248 G CA -0.592 44.531 45.100 0.038 0.000 0.684 248 G HN -0.652 7.492 8.290 0.022 0.159 0.489 249 I N 2.104 122.689 120.570 0.026 0.000 2.598 249 I HA -0.322 3.962 4.170 -0.009 -0.119 0.284 249 I C -0.894 175.193 176.117 -0.050 0.000 1.140 249 I CA -0.146 61.152 61.300 -0.003 0.000 1.420 249 I CB -1.831 36.181 38.000 0.019 0.000 1.387 249 I HN -0.353 7.882 8.210 0.040 0.000 0.553 250 N N 6.347 124.982 118.700 -0.110 0.000 2.193 250 N HA 0.265 5.065 4.740 -0.155 -0.152 0.210 250 N C -0.878 174.469 175.510 -0.272 0.000 1.215 250 N CA 0.381 53.324 53.050 -0.179 0.000 0.901 250 N CB 3.278 41.649 38.487 -0.194 0.000 1.060 250 N HN 0.665 8.974 8.380 -0.118 0.000 0.508 251 K N 1.173 121.383 120.400 -0.316 0.000 2.397 251 K HA 0.670 4.899 4.320 -0.483 -0.199 0.253 251 K C -2.597 173.803 176.600 -0.333 0.000 0.932 251 K CA -1.183 54.827 56.287 -0.461 0.000 0.795 251 K CB 3.751 35.819 32.500 -0.720 0.000 1.159 251 K HN -0.610 7.485 8.250 -0.258 0.000 0.424 252 V N 6.968 126.680 119.914 -0.336 0.000 2.340 252 V HA 0.302 4.309 4.120 -0.189 0.000 0.277 252 V C -1.533 174.370 176.094 -0.318 0.000 1.017 252 V CA -1.423 60.730 62.300 -0.244 0.000 0.820 252 V CB 1.404 33.135 31.823 -0.153 0.000 1.028 252 V HN 0.195 8.151 8.190 -0.391 0.000 0.436 253 N N 8.937 127.461 118.700 -0.293 0.000 2.452 253 N HA 0.176 4.881 4.740 -0.335 -0.166 0.266 253 N C -1.039 174.374 175.510 -0.162 0.000 1.175 253 N CA 0.442 53.319 53.050 -0.287 0.000 0.945 253 N CB 0.768 39.040 38.487 -0.358 0.000 1.063 253 N HN 0.263 8.479 8.380 -0.273 0.000 0.472 254 T N 5.489 119.947 114.554 -0.160 0.000 2.949 254 T HA 0.288 4.650 4.350 0.020 0.000 0.300 254 T C -2.270 172.487 174.700 0.095 0.000 0.988 254 T CA 0.224 62.316 62.100 -0.014 0.000 0.993 254 T CB 2.286 71.157 68.868 0.004 0.000 0.984 254 T HN 0.286 8.398 8.240 -0.213 0.000 0.442 255 D N 6.030 126.482 120.400 0.087 0.000 2.618 255 D HA 0.314 5.024 4.640 0.117 0.000 0.278 255 D C 0.825 177.157 176.300 0.053 0.000 1.203 255 D CA 1.517 55.566 54.000 0.081 0.000 1.073 255 D CB 1.250 42.075 40.800 0.042 0.000 1.632 255 D HN -0.169 8.243 8.370 0.070 0.000 0.473 256 T N 3.461 118.032 114.554 0.029 0.000 2.699 256 T HA -0.419 3.920 4.350 -0.019 0.000 0.268 256 T C 1.696 176.394 174.700 -0.004 0.000 1.036 256 T CA 5.246 67.341 62.100 -0.008 0.000 1.147 256 T CB -0.194 68.654 68.868 -0.033 0.000 0.862 256 T HN -0.248 8.011 8.240 0.032 0.000 0.446 257 D N 0.980 121.400 120.400 0.033 0.000 2.123 257 D HA -0.203 4.449 4.640 0.019 0.000 0.196 257 D C 2.193 178.532 176.300 0.066 0.000 0.992 257 D CA 3.380 57.410 54.000 0.050 0.000 0.833 257 D CB -0.428 40.433 40.800 0.102 0.000 0.954 257 D HN -0.543 7.858 8.370 0.052 0.000 0.455 258 L N -1.304 119.970 121.223 0.085 0.000 2.056 258 L HA -0.302 4.091 4.340 0.089 0.000 0.207 258 L C 1.911 178.836 176.870 0.091 0.000 1.078 258 L CA 3.179 58.070 54.840 0.085 0.000 0.749 258 L CB -0.512 41.596 42.059 0.081 0.000 0.901 258 L HN -0.629 7.661 8.230 0.100 0.000 0.433 259 R N -1.028 119.500 120.500 0.048 0.000 2.073 259 R HA -0.364 4.002 4.340 0.042 0.000 0.234 259 R C 2.686 179.048 176.300 0.103 0.000 1.134 259 R CA 3.594 59.723 56.100 0.048 0.000 0.952 259 R CB -0.229 30.067 30.300 -0.007 0.000 0.850 259 R HN -0.661 7.627 8.270 0.031 0.000 0.433 260 I N -0.962 119.615 120.570 0.012 0.000 2.226 260 I HA -0.484 3.606 4.170 -0.132 0.000 0.245 260 I C 1.654 177.849 176.117 0.130 0.000 1.100 260 I CA 3.763 65.029 61.300 -0.058 0.000 1.374 260 I CB -0.316 37.558 38.000 -0.211 0.000 1.057 260 I HN -0.226 7.973 8.210 -0.018 0.000 0.413 261 A N -0.478 122.423 122.820 0.135 0.000 1.933 261 A HA -0.297 4.112 4.320 0.148 0.000 0.218 261 A C 1.710 179.418 177.584 0.206 0.000 1.175 261 A CA 2.933 55.065 52.037 0.158 0.000 0.628 261 A CB -0.780 18.294 19.000 0.123 0.000 0.814 261 A HN -0.559 7.655 8.150 0.107 0.000 0.444 262 F N 0.047 120.053 119.950 0.094 0.000 2.098 262 F HA -0.242 4.497 4.527 0.108 -0.147 0.294 262 F C 1.427 177.328 175.800 0.167 0.000 1.107 262 F CA 3.167 61.234 58.000 0.111 0.000 1.234 262 F CB 1.178 40.222 39.000 0.073 0.000 1.002 262 F HN -0.753 7.768 8.300 0.368 0.000 0.472 263 I N -1.924 118.913 120.570 0.445 0.000 2.493 263 I HA -0.476 3.923 4.170 0.382 0.000 0.254 263 I C 1.838 178.128 176.117 0.289 0.000 1.160 263 I CA 1.194 62.727 61.300 0.387 0.000 1.445 263 I CB -1.670 36.580 38.000 0.416 0.000 1.086 263 I HN -0.108 8.377 8.210 0.460 0.000 0.433 264 A N 0.169 123.187 122.820 0.330 0.000 1.892 264 A HA -0.395 3.993 4.320 0.114 0.000 0.218 264 A C 1.780 179.409 177.584 0.074 0.000 1.188 264 A CA 3.760 55.922 52.037 0.208 0.000 0.631 264 A CB -0.932 18.223 19.000 0.259 0.000 0.822 264 A HN 0.023 8.400 8.150 0.377 0.000 0.447 265 E N -2.175 118.055 120.200 0.049 0.000 2.152 265 E HA -0.231 4.110 4.350 -0.014 0.000 0.192 265 E C 2.513 179.117 176.600 0.006 0.000 0.983 265 E CA 2.312 58.703 56.400 -0.014 0.000 0.818 265 E CB -0.482 29.173 29.700 -0.075 0.000 0.758 265 E HN -0.586 7.806 8.360 0.057 0.002 0.467 266 V N 0.534 120.486 119.914 0.063 0.000 2.343 266 V HA -0.513 3.784 4.120 0.295 0.000 0.247 266 V C 2.015 178.239 176.094 0.217 0.000 1.051 266 V CA 4.473 66.905 62.300 0.220 0.000 1.036 266 V CB -0.305 31.689 31.823 0.286 0.000 0.654 266 V HN -0.700 7.438 8.190 0.046 0.080 0.451 267 R N -1.443 119.130 120.500 0.121 0.000 2.091 267 R HA -0.396 3.997 4.340 0.089 0.000 0.238 267 R C 2.017 178.333 176.300 0.026 0.000 1.136 267 R CA 3.987 60.121 56.100 0.058 0.000 0.959 267 R CB -0.399 29.871 30.300 -0.049 0.000 0.856 267 R HN 0.094 8.431 8.270 0.110 0.000 0.437 268 K N -0.221 120.177 120.400 -0.004 0.000 2.026 268 K HA -0.294 4.003 4.320 -0.038 0.000 0.208 268 K C 2.202 178.769 176.600 -0.057 0.000 1.048 268 K CA 3.344 59.610 56.287 -0.035 0.000 0.929 268 K CB -0.186 32.288 32.500 -0.044 0.000 0.713 268 K HN -0.533 7.717 8.250 0.000 0.000 0.439 269 V N -0.801 119.054 119.914 -0.098 0.000 2.295 269 V HA -0.486 3.487 4.120 -0.245 0.000 0.246 269 V C 1.754 177.771 176.094 -0.129 0.000 1.049 269 V CA 3.989 66.138 62.300 -0.251 0.000 1.024 269 V CB -0.134 31.309 31.823 -0.633 0.000 0.648 269 V HN -0.706 7.436 8.190 -0.080 0.000 0.447 270 A N -1.135 121.761 122.820 0.127 0.000 1.940 270 A HA -0.346 4.168 4.320 0.325 0.000 0.219 270 A C 2.245 179.883 177.584 0.090 0.000 1.176 270 A CA 3.151 55.330 52.037 0.237 0.000 0.631 270 A CB -0.602 18.564 19.000 0.276 0.000 0.814 270 A HN -0.191 8.079 8.150 0.198 0.000 0.446 271 N N -2.699 116.024 118.700 0.039 0.000 2.142 271 N HA -0.248 4.504 4.740 0.020 0.000 0.186 271 N C 1.699 177.206 175.510 -0.004 0.000 1.023 271 N CA 2.494 55.551 53.050 0.012 0.000 0.852 271 N CB -0.237 38.244 38.487 -0.010 0.000 0.998 271 N HN -0.073 8.326 8.380 0.032 0.000 0.424 272 E N -2.502 117.681 120.200 -0.028 0.000 2.102 272 E HA -0.009 4.323 4.350 -0.031 0.000 0.190 272 E C -0.473 176.100 176.600 -0.045 0.000 0.971 272 E CA 1.137 57.512 56.400 -0.042 0.000 0.821 272 E CB 1.254 30.916 29.700 -0.063 0.000 0.777 272 E HN -0.642 7.695 8.360 -0.039 0.000 0.460 273 D N -0.775 119.587 120.400 -0.063 0.000 2.454 273 D HA 0.191 4.804 4.640 -0.044 0.000 0.247 273 D C 0.141 176.434 176.300 -0.011 0.000 1.129 273 D CA -1.304 52.660 54.000 -0.060 0.000 0.877 273 D CB 0.226 40.956 40.800 -0.117 0.000 1.082 273 D HN -0.496 7.827 8.370 -0.079 0.000 0.537 274 K N 5.441 125.853 120.400 0.020 0.000 2.432 274 K HA -0.019 4.350 4.320 0.082 0.000 0.196 274 K C 0.643 177.302 176.600 0.098 0.000 1.038 274 K CA 0.821 57.145 56.287 0.063 0.000 0.986 274 K CB -0.608 31.922 32.500 0.050 0.000 0.782 274 K HN 0.510 8.766 8.250 0.010 0.000 0.485 275 S N -2.077 113.664 115.700 0.068 0.000 2.556 275 S HA 0.043 4.619 4.470 0.177 0.000 0.216 275 S C -0.099 174.539 174.600 0.062 0.000 0.970 275 S CA -0.313 57.949 58.200 0.103 0.000 0.912 275 S CB 0.278 63.506 63.200 0.046 0.000 0.790 275 S HN -0.480 8.057 8.310 0.029 -0.210 0.504 276 Q N 3.334 123.153 119.800 0.032 0.000 2.314 276 Q HA -0.064 4.136 4.340 -0.233 0.000 0.257 276 Q C -0.796 175.326 176.000 0.202 0.000 0.975 276 Q CA 0.129 55.889 55.803 -0.072 0.000 0.933 276 Q CB -0.103 28.510 28.738 -0.207 0.000 1.195 276 Q HN -0.897 7.346 8.270 0.049 0.056 0.426 277 F N 1.016 121.065 119.950 0.164 0.000 2.837 277 F HA 0.336 5.060 4.527 0.327 0.000 0.328 277 F C -1.438 174.449 175.800 0.145 0.000 1.173 277 F CA -2.230 55.889 58.000 0.198 0.000 1.160 277 F CB 0.737 39.792 39.000 0.092 0.000 1.115 277 F HN -0.044 7.873 8.300 -0.638 0.000 0.512 278 D N 3.495 123.910 120.400 0.025 0.000 2.336 278 D HA 0.038 4.726 4.640 0.081 0.000 0.249 278 D C 0.799 177.178 176.300 0.131 0.000 1.213 278 D CA -0.376 53.649 54.000 0.043 0.000 0.870 278 D CB 0.897 41.652 40.800 -0.075 0.000 1.076 278 D HN -0.468 8.131 8.370 -0.112 -0.296 0.483 279 L N 5.762 127.051 121.223 0.111 0.000 2.043 279 L HA -0.440 3.796 4.340 -0.172 0.000 0.212 279 L C 1.610 178.440 176.870 -0.066 0.000 1.075 279 L CA 3.266 58.092 54.840 -0.024 0.000 0.752 279 L CB -0.010 42.130 42.059 0.135 0.000 0.891 279 L HN 0.546 8.852 8.230 0.127 0.000 0.432 280 R N -3.095 117.450 120.500 0.074 0.000 2.152 280 R HA -0.396 4.059 4.340 0.192 0.000 0.232 280 R C 2.436 178.745 176.300 0.016 0.000 1.117 280 R CA 3.384 59.545 56.100 0.102 0.000 0.981 280 R CB -0.519 29.842 30.300 0.102 0.000 0.870 280 R HN -0.483 8.030 8.270 0.090 -0.189 0.451 281 K N -1.723 118.642 120.400 -0.057 0.000 2.288 281 K HA -0.179 4.061 4.320 -0.133 0.000 0.201 281 K C 1.394 177.817 176.600 -0.294 0.000 1.048 281 K CA 1.950 58.132 56.287 -0.175 0.000 0.956 281 K CB -0.435 31.914 32.500 -0.252 0.000 0.746 281 K HN -0.517 7.585 8.250 -0.037 0.126 0.461 282 F N -2.618 117.137 119.950 -0.324 0.000 2.219 282 F HA -0.188 4.185 4.527 -0.257 0.000 0.294 282 F C 1.661 177.299 175.800 -0.270 0.000 1.086 282 F CA 3.627 61.386 58.000 -0.401 0.000 1.330 282 F CB 0.659 39.222 39.000 -0.729 0.000 1.047 282 F HN -0.673 7.485 8.300 -0.043 0.116 0.495 283 F N -3.234 116.801 119.950 0.142 0.000 2.714 283 F HA 0.041 4.480 4.527 -0.146 0.000 0.294 283 F C 1.587 177.387 175.800 0.002 0.000 1.120 283 F CA -0.600 57.420 58.000 0.033 0.000 1.398 283 F CB -0.871 38.252 39.000 0.204 0.000 1.120 283 F HN -0.261 7.901 8.300 -0.082 0.088 0.589 284 S N 1.230 117.029 115.700 0.164 0.000 2.355 284 S HA -0.108 4.443 4.470 0.135 0.000 0.222 284 S C -1.140 173.480 174.600 0.033 0.000 1.031 284 S CA 5.692 63.952 58.200 0.100 0.000 0.993 284 S CB -1.898 61.343 63.200 0.069 0.000 0.859 284 S HN -0.123 8.262 8.310 0.126 0.000 0.453 285 P HA -0.111 4.292 4.420 -0.029 0.000 0.217 285 P C 0.320 177.575 177.300 -0.074 0.000 1.150 285 P CA 2.250 65.323 63.100 -0.044 0.000 0.832 285 P CB -0.484 31.172 31.700 -0.072 0.000 0.787 286 A N -2.269 120.454 122.820 -0.162 0.000 1.877 286 A HA -0.295 3.820 4.320 -0.341 0.000 0.216 286 A C 2.144 179.622 177.584 -0.177 0.000 1.186 286 A CA 3.026 54.803 52.037 -0.433 0.000 0.620 286 A CB -0.756 17.507 19.000 -1.228 0.000 0.822 286 A HN -0.629 7.441 8.150 -0.134 0.000 0.443 287 Q N -1.350 118.456 119.800 0.009 0.000 2.096 287 Q HA -0.361 4.138 4.340 0.265 0.000 0.204 287 Q C 2.469 178.512 176.000 0.073 0.000 0.982 287 Q CA 3.095 58.986 55.803 0.146 0.000 0.850 287 Q CB -0.045 28.767 28.738 0.123 0.000 0.901 287 Q HN -0.299 7.978 8.270 0.011 0.000 0.422 288 L N -0.508 120.735 121.223 0.034 0.000 2.012 288 L HA -0.337 4.013 4.340 0.016 0.000 0.210 288 L C 1.044 177.924 176.870 0.017 0.000 1.073 288 L CA 3.105 57.956 54.840 0.018 0.000 0.748 288 L CB -0.503 41.560 42.059 0.008 0.000 0.891 288 L HN -0.524 7.721 8.230 0.025 0.000 0.431 289 A N -1.577 121.256 122.820 0.021 0.000 1.902 289 A HA -0.339 3.997 4.320 0.026 0.000 0.217 289 A C 1.813 179.429 177.584 0.054 0.000 1.181 289 A CA 3.127 55.185 52.037 0.034 0.000 0.623 289 A CB -0.753 18.270 19.000 0.038 0.000 0.818 289 A HN -0.426 7.730 8.150 0.010 0.000 0.443 290 L N -1.177 120.102 121.223 0.093 0.000 2.056 290 L HA -0.421 3.973 4.340 0.089 0.000 0.207 290 L C 1.453 178.318 176.870 -0.009 0.000 1.078 290 L CA 2.934 57.829 54.840 0.091 0.000 0.749 290 L CB -0.178 41.998 42.059 0.195 0.000 0.901 290 L HN -0.488 7.812 8.230 0.116 0.000 0.433 291 K N -0.821 119.568 120.400 -0.018 0.000 2.032 291 K HA -0.459 3.787 4.320 -0.122 0.000 0.209 291 K C 2.153 178.704 176.600 -0.082 0.000 1.048 291 K CA 3.556 59.799 56.287 -0.074 0.000 0.927 291 K CB -0.284 32.188 32.500 -0.047 0.000 0.712 291 K HN 0.176 8.434 8.250 0.013 0.000 0.441 292 N N -1.279 117.397 118.700 -0.040 0.000 2.166 292 N HA -0.219 4.494 4.740 -0.045 0.000 0.186 292 N C 2.396 177.884 175.510 -0.037 0.000 1.019 292 N CA 2.760 55.789 53.050 -0.034 0.000 0.856 292 N CB -0.332 38.149 38.487 -0.009 0.000 0.993 292 N HN -0.490 7.879 8.380 -0.020 0.000 0.426 293 V N 0.834 120.735 119.914 -0.022 0.000 2.295 293 V HA -0.494 3.639 4.120 0.021 0.000 0.246 293 V C 1.533 177.594 176.094 -0.055 0.000 1.049 293 V CA 4.546 66.844 62.300 -0.003 0.000 1.024 293 V CB -0.070 31.773 31.823 0.033 0.000 0.648 293 V HN -0.585 7.599 8.190 -0.011 0.000 0.447 294 V N -0.052 119.761 119.914 -0.167 0.000 2.358 294 V HA -0.592 3.311 4.120 -0.361 0.000 0.246 294 V C 1.709 177.678 176.094 -0.210 0.000 1.047 294 V CA 4.629 66.716 62.300 -0.356 0.000 1.035 294 V CB -0.432 30.986 31.823 -0.674 0.000 0.658 294 V HN -0.521 7.567 8.190 -0.170 0.000 0.452 295 K N -0.218 120.089 120.400 -0.155 0.000 2.026 295 K HA -0.336 3.915 4.320 -0.114 0.000 0.208 295 K C 2.590 179.141 176.600 -0.082 0.000 1.048 295 K CA 3.669 59.891 56.287 -0.108 0.000 0.929 295 K CB -0.257 32.190 32.500 -0.088 0.000 0.713 295 K HN -0.164 7.997 8.250 -0.149 0.000 0.439 296 E N -1.699 118.454 120.200 -0.078 0.000 2.110 296 E HA -0.289 3.999 4.350 -0.104 0.000 0.193 296 E C 2.704 179.232 176.600 -0.119 0.000 0.988 296 E CA 2.582 58.921 56.400 -0.102 0.000 0.804 296 E CB -0.432 29.206 29.700 -0.103 0.000 0.745 296 E HN -0.493 7.825 8.360 -0.071 0.000 0.458 297 R N -0.235 120.233 120.500 -0.054 0.000 2.092 297 R HA -0.184 4.119 4.340 -0.063 0.000 0.231 297 R C 2.464 178.787 176.300 0.039 0.000 1.119 297 R CA 2.048 58.154 56.100 0.011 0.000 0.970 297 R CB -0.535 29.870 30.300 0.175 0.000 0.864 297 R HN -0.413 7.836 8.270 -0.034 0.000 0.440 298 M N -0.687 118.938 119.600 0.043 0.000 2.117 298 M HA -0.356 4.172 4.480 0.081 0.000 0.262 298 M C 2.585 178.868 176.300 -0.028 0.000 1.065 298 M CA 4.117 59.436 55.300 0.032 0.000 1.114 298 M CB -0.030 32.571 32.600 0.001 0.000 1.361 298 M HN -0.174 8.127 8.290 0.018 0.000 0.408 299 K N -1.275 119.090 120.400 -0.059 0.000 2.057 299 K HA -0.352 3.924 4.320 -0.074 0.000 0.206 299 K C 2.568 179.121 176.600 -0.078 0.000 1.050 299 K CA 3.028 59.270 56.287 -0.075 0.000 0.935 299 K CB -0.101 32.349 32.500 -0.084 0.000 0.715 299 K HN -0.666 7.546 8.250 -0.064 0.000 0.439 300 L N -0.826 120.334 121.223 -0.104 0.000 2.046 300 L HA -0.289 3.981 4.340 -0.118 0.000 0.208 300 L C 1.109 177.954 176.870 -0.042 0.000 1.077 300 L CA 2.787 57.559 54.840 -0.114 0.000 0.747 300 L CB 0.093 42.026 42.059 -0.210 0.000 0.896 300 L HN -0.582 7.576 8.230 -0.120 0.000 0.432 301 L N -6.726 114.490 121.223 -0.013 0.000 2.418 301 L HA -0.094 4.265 4.340 0.032 0.000 0.218 301 L C 0.518 177.418 176.870 0.050 0.000 1.125 301 L CA 0.535 55.392 54.840 0.028 0.000 0.835 301 L CB 0.375 42.459 42.059 0.041 0.000 0.953 301 L HN -0.419 7.802 8.230 -0.014 0.000 0.454 302 G N -3.471 105.328 108.800 -0.000 0.000 2.157 302 G HA2 -0.472 3.446 3.960 -0.070 0.000 0.239 302 G HA3 -0.472 3.497 3.960 0.016 0.000 0.239 302 G C -0.006 174.769 174.900 -0.208 0.000 0.982 302 G CA 0.849 45.923 45.100 -0.043 0.000 0.650 302 G HN -0.302 7.944 8.290 -0.023 0.030 0.527 303 S N 0.711 116.322 115.700 -0.149 0.000 2.527 303 S HA -0.046 3.979 4.470 -0.743 0.000 0.222 303 S C 0.478 174.928 174.600 -0.250 0.000 0.985 303 S CA -0.197 57.826 58.200 -0.296 0.000 0.921 303 S CB 0.179 63.382 63.200 0.005 0.000 0.772 303 S HN -0.447 7.839 8.310 -0.041 0.000 0.529 304 A N 1.308 124.031 122.820 -0.163 0.000 2.540 304 A HA -0.263 4.111 4.320 -0.106 -0.119 0.239 304 A C -0.933 176.556 177.584 -0.158 0.000 1.061 304 A CA 0.865 52.825 52.037 -0.128 0.000 0.758 304 A CB 0.141 19.084 19.000 -0.094 0.000 0.991 304 A HN -0.831 7.211 8.150 -0.131 0.030 0.502 305 N N -0.209 118.421 118.700 -0.118 0.000 2.780 305 N HA -0.355 4.343 4.740 -0.070 0.000 0.248 305 N C -0.362 175.068 175.510 -0.134 0.000 1.102 305 N CA 1.559 54.548 53.050 -0.100 0.000 0.697 305 N CB -1.309 37.126 38.487 -0.086 0.000 1.028 305 N HN 0.331 8.560 8.380 -0.094 0.094 0.554 306 K N -4.969 115.331 120.400 -0.166 0.000 2.438 306 K HA 0.249 4.468 4.320 -0.169 0.000 0.205 306 K C -0.586 175.980 176.600 -0.056 0.000 1.033 306 K CA -1.610 54.565 56.287 -0.188 0.000 1.089 306 K CB 0.518 32.742 32.500 -0.460 0.000 0.857 306 K HN -0.492 7.666 8.250 -0.153 0.000 0.522 307 I N 0.000 120.556 120.570 -0.023 0.000 2.984 307 I HA 0.000 4.191 4.170 0.035 0.000 0.288 307 I CA 0.000 61.316 61.300 0.027 0.000 1.566 307 I CB 0.000 38.041 38.000 0.068 0.000 1.214 307 I HN 0.000 8.190 8.210 -0.033 0.000 0.494