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 3g3h_1_A DATA FIRST_RESID 3 DATA SEQUENCE NRSLIVTTIL EEPYVLFKKS DKPLYGNDRF EGYCIDLLRE LSTILGFTYE DATA SEQUENCE IRLVEDGKYG AQDDVNGQWN GMVRELIDHK ADLAVAPLAI TYVREKVIDF DATA SEQUENCE SKPFMTLGIS ILYRKGTPID SADDLAKQTK IEYGAVEDGA TMTFFKRSKI DATA SEQUENCE STYDKMWAFM SSRRQSVLVK SNEEGIQRVL TSDYAFLMES TTIEFVTQRN DATA SEQUENCE cNLTQIGGLI DSKGYGVGTP MGSPYRDKIT LAILKLQEEG KLHMMKEKWW DATA SEQUENCE XXXXcP 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 3 N HA 0.000 4.770 4.740 0.051 0.000 0.220 3 N C 0.000 175.546 175.510 0.060 0.000 1.280 3 N CA 0.000 53.086 53.050 0.060 0.000 0.885 3 N CB 0.000 38.538 38.487 0.086 0.000 1.341 4 R N 1.285 121.819 120.500 0.057 0.000 2.522 4 R HA -0.027 4.336 4.340 0.037 0.000 0.284 4 R C -0.646 175.688 176.300 0.057 0.000 1.032 4 R CA 0.099 56.227 56.100 0.046 0.000 1.049 4 R CB 0.688 31.012 30.300 0.039 0.000 0.956 4 R HN 0.094 8.399 8.270 0.057 0.000 0.422 5 S N 2.167 117.895 115.700 0.046 0.000 2.549 5 S HA -0.097 4.592 4.470 0.103 -0.157 0.279 5 S C 0.063 174.679 174.600 0.027 0.000 1.321 5 S CA -0.254 57.983 58.200 0.063 0.000 1.054 5 S CB 0.508 63.734 63.200 0.043 0.000 0.899 5 S HN 0.015 8.346 8.310 0.036 0.000 0.497 6 L N 4.336 125.560 121.223 0.002 0.000 2.416 6 L HA -0.136 4.248 4.340 -0.152 -0.134 0.272 6 L C -0.225 176.613 176.870 -0.053 0.000 1.161 6 L CA 0.134 54.895 54.840 -0.132 0.000 0.845 6 L CB 0.305 42.115 42.059 -0.414 0.000 1.119 6 L HN 0.147 8.410 8.230 0.056 0.000 0.464 7 I N 2.921 123.439 120.570 -0.086 0.000 2.371 7 I HA 0.148 4.458 4.170 -0.016 -0.150 0.290 7 I C -0.330 175.721 176.117 -0.109 0.000 1.028 7 I CA -2.262 59.003 61.300 -0.059 0.000 1.345 7 I CB -1.062 36.905 38.000 -0.055 0.000 1.407 7 I HN 0.250 8.726 8.210 -0.109 -0.332 0.501 8 V N 8.782 128.644 119.914 -0.087 0.000 2.378 8 V HA 0.421 4.628 4.120 -0.179 -0.194 0.288 8 V C -1.087 174.914 176.094 -0.156 0.000 1.016 8 V CA -1.521 60.691 62.300 -0.147 0.000 0.840 8 V CB 1.908 33.635 31.823 -0.160 0.000 0.994 8 V HN 0.487 8.651 8.190 -0.043 0.000 0.431 9 T N 8.634 123.089 114.554 -0.164 0.000 2.889 9 T HA 0.790 5.277 4.350 -0.162 -0.234 0.291 9 T C -0.461 174.116 174.700 -0.204 0.000 0.995 9 T CA -1.051 60.949 62.100 -0.167 0.000 1.092 9 T CB 0.876 69.660 68.868 -0.140 0.000 0.954 9 T HN 0.296 8.436 8.240 -0.166 0.000 0.506 10 T N 5.572 119.983 114.554 -0.237 0.000 2.645 10 T HA 0.380 4.586 4.350 -0.240 0.000 0.300 10 T C -2.681 171.850 174.700 -0.282 0.000 1.210 10 T CA -2.046 59.892 62.100 -0.270 0.000 1.034 10 T CB 1.827 70.494 68.868 -0.336 0.000 1.537 10 T HN -0.236 7.865 8.240 -0.231 0.000 0.492 11 I N -0.591 119.801 120.570 -0.296 0.000 2.827 11 I HA 0.261 4.278 4.170 -0.256 0.000 0.298 11 I C -2.673 173.309 176.117 -0.224 0.000 1.235 11 I CA -1.118 60.006 61.300 -0.293 0.000 1.021 11 I CB 3.295 41.008 38.000 -0.479 0.000 1.259 11 I HN 0.248 8.289 8.210 -0.283 0.000 0.427 12 L N 5.761 126.881 121.223 -0.172 0.000 2.418 12 L HA -0.115 4.252 4.340 -0.153 -0.118 0.274 12 L C -0.806 176.041 176.870 -0.039 0.000 1.135 12 L CA 0.084 54.850 54.840 -0.123 0.000 0.870 12 L CB -0.190 41.808 42.059 -0.102 0.000 1.154 12 L HN 0.245 8.381 8.230 -0.158 0.000 0.462 13 E N 4.055 124.248 120.200 -0.012 0.000 2.428 13 E HA 0.223 4.621 4.350 0.080 0.000 0.307 13 E C -2.454 174.171 176.600 0.041 0.000 0.902 13 E CA -0.629 55.819 56.400 0.079 0.000 0.799 13 E CB 3.211 33.009 29.700 0.164 0.000 1.351 13 E HN 0.241 8.575 8.360 -0.043 0.000 0.392 14 E N 6.029 126.181 120.200 -0.080 0.000 2.360 14 E HA 0.046 4.179 4.350 -0.363 0.000 0.269 14 E C -1.219 174.929 176.600 -0.755 0.000 1.022 14 E CA -2.653 53.535 56.400 -0.353 0.000 0.887 14 E CB 0.931 30.466 29.700 -0.274 0.000 0.990 14 E HN 0.269 8.606 8.360 -0.037 0.000 0.426 15 P HA 0.294 4.275 4.420 -0.732 0.000 0.266 15 P C -0.479 176.313 177.300 -0.847 0.000 1.561 15 P CA -0.150 62.321 63.100 -1.048 0.000 1.089 15 P CB 0.335 31.236 31.700 -1.331 0.000 1.534 16 Y N 0.698 120.739 120.300 -0.431 0.000 2.206 16 Y HA -0.107 4.325 4.550 -0.196 0.000 0.292 16 Y C 0.244 175.949 175.900 -0.326 0.000 1.123 16 Y CA 4.136 62.077 58.100 -0.265 0.000 1.142 16 Y CB 0.705 39.092 38.460 -0.122 0.000 1.006 16 Y HN -0.345 7.593 8.280 -0.449 0.073 0.518 17 V N -3.655 116.184 119.914 -0.125 0.000 2.655 17 V HA 0.422 4.571 4.120 -0.204 -0.152 0.301 17 V C -1.881 174.127 176.094 -0.144 0.000 1.082 17 V CA -0.662 61.538 62.300 -0.167 0.000 0.899 17 V CB 2.559 34.276 31.823 -0.175 0.000 1.014 17 V HN -0.352 7.790 8.190 -0.080 0.000 0.429 18 L N 3.214 124.371 121.223 -0.109 0.000 2.376 18 L HA 0.444 4.737 4.340 -0.079 0.000 0.258 18 L C -1.450 175.427 176.870 0.011 0.000 1.013 18 L CA -1.095 53.712 54.840 -0.055 0.000 0.822 18 L CB 4.316 46.367 42.059 -0.013 0.000 1.388 18 L HN 0.437 8.610 8.230 -0.096 0.000 0.413 19 F N 1.456 121.437 119.950 0.052 0.000 2.456 19 F HA 0.239 4.859 4.527 -0.135 -0.174 0.358 19 F C 0.476 176.257 175.800 -0.031 0.000 1.095 19 F CA 0.259 58.225 58.000 -0.056 0.000 1.216 19 F CB 0.783 39.725 39.000 -0.096 0.000 1.125 19 F HN 0.187 8.540 8.300 0.088 0.000 0.549 20 K N 3.807 124.306 120.400 0.164 0.000 2.485 20 K HA -0.270 4.124 4.320 0.124 0.000 0.277 20 K C 0.322 176.960 176.600 0.062 0.000 0.990 20 K CA 0.865 57.215 56.287 0.105 0.000 0.994 20 K CB 0.480 33.021 32.500 0.068 0.000 0.906 20 K HN -0.126 8.209 8.250 0.140 0.000 0.488 21 K N 3.589 124.025 120.400 0.059 0.000 2.297 21 K HA 0.061 4.387 4.320 0.011 0.000 0.286 21 K C -0.708 175.894 176.600 0.003 0.000 1.053 21 K CA 0.437 56.739 56.287 0.025 0.000 0.940 21 K CB 0.217 32.739 32.500 0.037 0.000 1.019 21 K HN 0.378 8.674 8.250 0.077 0.000 0.475 22 S N 2.959 118.643 115.700 -0.027 0.000 2.543 22 S HA 0.217 4.676 4.470 -0.017 0.000 0.274 22 S C -0.481 174.091 174.600 -0.048 0.000 1.149 22 S CA -1.122 57.059 58.200 -0.032 0.000 0.866 22 S CB 2.376 65.553 63.200 -0.038 0.000 1.111 22 S HN 0.131 8.415 8.310 -0.042 0.000 0.457 23 D N 1.042 121.421 120.400 -0.035 0.000 2.149 23 D HA -0.020 4.594 4.640 -0.044 0.000 0.201 23 D C 0.399 176.671 176.300 -0.047 0.000 0.972 23 D CA 1.478 55.455 54.000 -0.038 0.000 0.835 23 D CB 0.396 41.182 40.800 -0.024 0.000 0.966 23 D HN 0.161 8.516 8.370 -0.025 0.000 0.476 24 K N 1.656 122.032 120.400 -0.040 0.000 2.416 24 K HA 0.157 4.458 4.320 -0.031 0.000 0.283 24 K C -2.465 174.081 176.600 -0.090 0.000 1.037 24 K CA -1.958 54.304 56.287 -0.041 0.000 0.995 24 K CB 0.985 33.474 32.500 -0.018 0.000 0.938 24 K HN -0.326 7.905 8.250 -0.032 0.000 0.475 25 P HA -0.068 4.185 4.420 -0.277 0.000 0.268 25 P C -1.517 175.558 177.300 -0.375 0.000 1.204 25 P CA 0.032 62.975 63.100 -0.262 0.000 0.768 25 P CB 0.491 32.046 31.700 -0.243 0.000 0.842 26 L N 2.266 123.189 121.223 -0.500 0.000 2.322 26 L HA 0.272 4.452 4.340 -0.266 0.000 0.269 26 L C -0.893 175.572 176.870 -0.674 0.000 1.012 26 L CA -1.420 53.167 54.840 -0.423 0.000 0.815 26 L CB 2.195 44.121 42.059 -0.221 0.000 1.295 26 L HN -0.302 7.638 8.230 -0.484 0.000 0.438 27 Y N -0.408 119.865 120.300 -0.045 0.000 2.512 27 Y HA 0.120 4.649 4.550 -0.035 0.000 0.348 27 Y C 0.502 176.404 175.900 0.004 0.000 0.990 27 Y CA -0.508 57.576 58.100 -0.026 0.000 1.033 27 Y CB 3.185 41.637 38.460 -0.015 0.000 1.259 27 Y HN 0.145 8.448 8.280 0.040 0.000 0.461 28 G N 1.961 110.877 108.800 0.194 0.000 2.566 28 G HA2 -0.539 3.538 3.960 0.195 0.000 0.280 28 G HA3 -0.539 3.517 3.960 0.161 0.000 0.280 28 G C 1.053 176.085 174.900 0.222 0.000 1.225 28 G CA 0.890 46.101 45.100 0.184 0.000 0.966 28 G HN 0.127 8.538 8.290 0.201 0.000 0.560 29 N N 3.155 121.991 118.700 0.225 0.000 2.381 29 N HA -0.224 4.833 4.740 0.529 0.000 0.182 29 N C 1.826 177.501 175.510 0.274 0.000 1.025 29 N CA 2.205 55.453 53.050 0.330 0.000 0.888 29 N CB -0.543 38.077 38.487 0.222 0.000 0.965 29 N HN 0.418 8.895 8.380 0.163 0.000 0.438 30 D N 0.920 121.407 120.400 0.145 0.000 2.309 30 D HA -0.191 4.514 4.640 0.109 0.000 0.212 30 D C 1.407 177.722 176.300 0.025 0.000 0.968 30 D CA 1.914 55.969 54.000 0.092 0.000 0.882 30 D CB -0.248 40.595 40.800 0.072 0.000 0.918 30 D HN -0.570 7.844 8.370 0.129 0.033 0.503 31 R N -2.451 117.996 120.500 -0.087 0.000 2.189 31 R HA -0.259 3.969 4.340 -0.187 0.000 0.223 31 R C -0.082 176.051 176.300 -0.277 0.000 1.092 31 R CA 2.462 58.392 56.100 -0.285 0.000 0.989 31 R CB 0.365 30.336 30.300 -0.548 0.000 0.876 31 R HN -0.661 7.525 8.270 -0.065 0.045 0.457 32 F N -3.860 116.163 119.950 0.122 0.000 2.492 32 F HA 0.791 5.519 4.527 0.025 -0.186 0.327 32 F C -1.100 174.717 175.800 0.028 0.000 1.079 32 F CA -1.768 56.255 58.000 0.037 0.000 0.967 32 F CB 2.891 41.873 39.000 -0.031 0.000 1.169 32 F HN -0.736 7.609 8.300 0.151 0.046 0.472 33 E N -2.424 117.878 120.200 0.169 0.000 2.449 33 E HA 0.372 4.779 4.350 0.095 0.000 0.278 33 E C -2.039 174.413 176.600 -0.247 0.000 0.992 33 E CA -1.890 54.552 56.400 0.069 0.000 0.807 33 E CB 3.728 33.561 29.700 0.223 0.000 1.350 33 E HN 0.319 8.767 8.360 0.146 0.000 0.462 34 G N -2.802 105.571 108.800 -0.712 0.000 2.347 34 G HA2 -0.200 1.998 3.960 -2.936 0.000 0.477 34 G HA3 -0.200 3.307 3.960 -0.991 -0.142 0.477 34 G C -1.360 172.695 174.900 -1.408 0.000 1.349 34 G CA -0.440 43.704 45.100 -1.593 0.000 1.000 34 G HN -0.258 7.744 8.290 -0.480 0.000 0.605 35 Y N 0.850 120.203 120.300 -1.580 0.000 2.114 35 Y HA -0.344 3.861 4.550 -0.574 0.000 0.282 35 Y C 1.204 176.936 175.900 -0.281 0.000 1.165 35 Y CA 4.040 61.743 58.100 -0.661 0.000 1.148 35 Y CB 0.655 39.050 38.460 -0.109 0.000 0.972 35 Y HN -0.192 7.268 8.280 -1.367 0.000 0.504 36 C N -3.556 115.747 119.300 0.006 0.000 2.432 36 C HA -0.424 3.962 4.460 -0.124 0.000 0.280 36 C C 1.468 176.321 174.990 -0.228 0.000 1.353 36 C CA 4.430 63.395 59.018 -0.087 0.000 1.766 36 C CB -0.410 27.320 27.740 -0.018 0.000 1.924 36 C HN -0.251 7.890 8.230 0.034 0.110 0.509 37 I N 0.764 121.198 120.570 -0.227 0.000 2.286 37 I HA -0.374 3.689 4.170 -0.178 0.000 0.245 37 I C 1.759 177.798 176.117 -0.129 0.000 1.104 37 I CA 2.258 63.460 61.300 -0.164 0.000 1.397 37 I CB -1.034 36.914 38.000 -0.087 0.000 1.072 37 I HN -0.782 7.274 8.210 -0.257 0.000 0.417 38 D N -0.043 120.280 120.400 -0.127 0.000 2.123 38 D HA -0.299 4.338 4.640 -0.005 0.000 0.196 38 D C 2.468 178.661 176.300 -0.179 0.000 0.992 38 D CA 3.513 57.470 54.000 -0.072 0.000 0.833 38 D CB -0.315 40.513 40.800 0.047 0.000 0.954 38 D HN -0.165 8.105 8.370 -0.167 0.000 0.455 39 L N 0.501 121.531 121.223 -0.321 0.000 2.017 39 L HA -0.236 3.918 4.340 -0.309 0.000 0.208 39 L C 1.528 178.248 176.870 -0.250 0.000 1.073 39 L CA 2.874 57.508 54.840 -0.344 0.000 0.745 39 L CB -0.163 41.589 42.059 -0.512 0.000 0.894 39 L HN -0.363 7.634 8.230 -0.388 0.000 0.432 40 L N -1.504 119.557 121.223 -0.269 0.000 2.042 40 L HA -0.445 3.743 4.340 -0.253 0.000 0.210 40 L C 1.742 178.439 176.870 -0.288 0.000 1.076 40 L CA 3.217 57.874 54.840 -0.304 0.000 0.749 40 L CB -0.609 41.191 42.059 -0.432 0.000 0.893 40 L HN -0.260 7.800 8.230 -0.282 0.000 0.432 41 R N -1.823 118.572 120.500 -0.174 0.000 2.081 41 R HA -0.378 3.973 4.340 0.019 0.000 0.235 41 R C 2.714 178.957 176.300 -0.095 0.000 1.131 41 R CA 3.494 59.562 56.100 -0.053 0.000 0.960 41 R CB -0.280 30.035 30.300 0.025 0.000 0.856 41 R HN -0.346 7.833 8.270 -0.151 0.000 0.436 42 E N -0.945 119.193 120.200 -0.103 0.000 2.077 42 E HA -0.282 4.026 4.350 -0.069 0.000 0.193 42 E C 2.461 178.997 176.600 -0.107 0.000 0.989 42 E CA 2.517 58.864 56.400 -0.088 0.000 0.800 42 E CB -0.310 29.346 29.700 -0.075 0.000 0.746 42 E HN -0.561 7.732 8.360 -0.112 0.000 0.452 43 L N -1.867 119.286 121.223 -0.117 0.000 2.042 43 L HA -0.408 3.924 4.340 -0.015 0.000 0.210 43 L C 2.395 179.086 176.870 -0.299 0.000 1.076 43 L CA 3.214 58.011 54.840 -0.071 0.000 0.749 43 L CB -0.562 41.534 42.059 0.062 0.000 0.893 43 L HN 0.118 8.273 8.230 -0.125 0.000 0.432 44 S N -1.306 114.025 115.700 -0.615 0.000 2.382 44 S HA -0.294 2.650 4.470 -2.544 0.000 0.228 44 S C 2.500 176.772 174.600 -0.546 0.000 1.027 44 S CA 3.609 61.095 58.200 -1.190 0.000 0.991 44 S CB -0.880 61.933 63.200 -0.645 0.000 0.823 44 S HN -0.074 7.972 8.310 -0.440 0.000 0.469 45 T N 4.834 119.229 114.554 -0.265 0.000 2.851 45 T HA -0.239 4.038 4.350 -0.123 0.000 0.262 45 T C 1.494 176.140 174.700 -0.090 0.000 1.043 45 T CA 3.991 66.011 62.100 -0.134 0.000 1.140 45 T CB 0.026 68.848 68.868 -0.077 0.000 0.872 45 T HN -0.720 7.369 8.240 -0.229 0.014 0.446 46 I N -0.370 120.155 120.570 -0.076 0.000 2.252 46 I HA -0.329 3.835 4.170 -0.009 0.000 0.245 46 I C 1.085 177.213 176.117 0.017 0.000 1.102 46 I CA 3.071 64.361 61.300 -0.016 0.000 1.385 46 I CB 0.445 38.448 38.000 0.006 0.000 1.064 46 I HN -0.321 7.832 8.210 -0.095 0.000 0.414 47 L N -5.471 115.769 121.223 0.027 0.000 2.585 47 L HA 0.151 4.576 4.340 0.141 0.000 0.226 47 L C 0.350 177.322 176.870 0.170 0.000 1.113 47 L CA -0.159 54.777 54.840 0.160 0.000 0.876 47 L CB 0.727 43.020 42.059 0.390 0.000 1.072 47 L HN -0.324 7.881 8.230 -0.041 0.000 0.468 48 G N -1.317 107.496 108.800 0.022 0.000 2.368 48 G HA2 -0.305 3.676 3.960 -0.019 0.000 0.290 48 G HA3 -0.305 3.700 3.960 0.076 0.000 0.290 48 G C -0.694 174.304 174.900 0.165 0.000 1.098 48 G CA 0.171 45.298 45.100 0.045 0.000 1.073 48 G HN -0.494 7.746 8.290 -0.083 0.000 0.511 49 F N -2.571 117.442 119.950 0.105 0.000 2.620 49 F HA 0.528 5.111 4.527 0.093 0.000 0.320 49 F C -1.937 173.931 175.800 0.113 0.000 1.069 49 F CA -2.893 55.170 58.000 0.104 0.000 0.953 49 F CB 2.465 41.524 39.000 0.098 0.000 1.322 49 F HN -0.717 7.354 8.300 -0.382 0.000 0.479 50 T N -3.768 110.999 114.554 0.354 0.000 2.952 50 T HA 0.448 4.844 4.350 0.078 0.000 0.286 50 T C -1.929 172.985 174.700 0.356 0.000 1.024 50 T CA -2.083 60.127 62.100 0.183 0.000 1.029 50 T CB 2.408 71.288 68.868 0.020 0.000 1.094 50 T HN 0.239 8.685 8.240 0.344 0.000 0.515 51 Y N -4.436 115.957 120.300 0.154 0.000 2.638 51 Y HA 0.776 5.616 4.550 0.078 -0.243 0.335 51 Y C -1.868 174.067 175.900 0.058 0.000 1.155 51 Y CA -1.781 56.388 58.100 0.114 0.000 1.046 51 Y CB 3.151 41.717 38.460 0.177 0.000 1.303 51 Y HN -0.147 7.888 8.280 -0.407 0.000 0.460 52 E N -0.543 119.783 120.200 0.210 0.000 2.241 52 E HA 0.415 4.995 4.350 0.129 -0.153 0.263 52 E C -1.358 175.331 176.600 0.147 0.000 0.882 52 E CA -1.458 55.027 56.400 0.141 0.000 0.769 52 E CB 3.622 33.365 29.700 0.071 0.000 1.185 52 E HN 0.130 8.614 8.360 0.207 0.000 0.415 53 I N 4.846 125.511 120.570 0.159 0.000 2.496 53 I HA 0.072 4.373 4.170 -0.071 -0.174 0.285 53 I C 0.093 176.196 176.117 -0.023 0.000 1.080 53 I CA 0.730 62.016 61.300 -0.024 0.000 1.404 53 I CB 0.324 38.196 38.000 -0.213 0.000 1.403 53 I HN 0.335 9.021 8.210 0.217 -0.346 0.539 54 R N 6.903 127.345 120.500 -0.097 0.000 2.532 54 R HA 0.366 4.732 4.340 0.043 0.000 0.297 54 R C -1.541 174.695 176.300 -0.107 0.000 0.984 54 R CA -1.817 54.262 56.100 -0.035 0.000 0.884 54 R CB 3.123 33.418 30.300 -0.008 0.000 1.182 54 R HN 0.445 8.631 8.270 -0.140 0.000 0.442 55 L N 3.693 124.883 121.223 -0.056 0.000 2.453 55 L HA -0.021 4.376 4.340 -0.174 -0.161 0.272 55 L C 0.605 177.436 176.870 -0.064 0.000 1.182 55 L CA -0.147 54.640 54.840 -0.088 0.000 0.858 55 L CB 0.602 42.660 42.059 -0.002 0.000 1.120 55 L HN 0.373 8.626 8.230 0.039 0.000 0.474 56 V N 3.505 123.357 119.914 -0.103 0.000 2.557 56 V HA -0.212 3.867 4.120 -0.069 0.000 0.301 56 V C 1.177 177.246 176.094 -0.041 0.000 1.026 56 V CA 0.691 62.942 62.300 -0.081 0.000 1.137 56 V CB 1.225 32.978 31.823 -0.117 0.000 0.917 56 V HN -0.134 7.970 8.190 -0.143 0.000 0.484 57 E N 8.084 128.273 120.200 -0.018 0.000 2.110 57 E HA -0.331 4.026 4.350 0.012 0.000 0.193 57 E C -0.154 176.451 176.600 0.007 0.000 0.988 57 E CA 2.681 59.083 56.400 0.004 0.000 0.804 57 E CB -0.019 29.687 29.700 0.012 0.000 0.745 57 E HN 0.543 8.892 8.360 -0.018 0.000 0.458 58 D N -4.688 115.714 120.400 0.003 0.000 2.340 58 D HA -0.049 4.602 4.640 0.019 0.000 0.220 58 D C 0.866 177.170 176.300 0.007 0.000 1.039 58 D CA -0.755 53.253 54.000 0.013 0.000 0.866 58 D CB -1.174 39.641 40.800 0.025 0.000 0.913 58 D HN -0.341 8.028 8.370 -0.002 0.000 0.523 59 G N -0.371 108.417 108.800 -0.020 0.000 2.168 59 G HA2 -0.424 3.497 3.960 -0.066 0.000 0.257 59 G HA3 -0.424 3.532 3.960 -0.008 0.000 0.257 59 G C -0.498 174.374 174.900 -0.046 0.000 0.997 59 G CA 0.771 45.849 45.100 -0.036 0.000 0.708 59 G HN -0.441 7.785 8.290 -0.032 0.045 0.520 60 K N -1.529 118.844 120.400 -0.044 0.000 2.208 60 K HA 0.339 4.695 4.320 0.061 0.000 0.247 60 K C -0.610 175.952 176.600 -0.063 0.000 0.953 60 K CA -2.102 54.193 56.287 0.012 0.000 0.837 60 K CB 2.354 34.904 32.500 0.082 0.000 1.131 60 K HN -0.793 7.640 8.250 -0.042 -0.207 0.431 61 Y N -0.143 120.194 120.300 0.062 0.000 2.153 61 Y HA -0.197 4.371 4.550 0.030 0.000 0.289 61 Y C 0.186 176.150 175.900 0.107 0.000 1.119 61 Y CA 2.717 60.854 58.100 0.061 0.000 1.116 61 Y CB 1.104 39.602 38.460 0.062 0.000 1.004 61 Y HN 0.390 8.887 8.280 0.361 0.000 0.501 62 G N -6.675 102.321 108.800 0.327 0.000 2.350 62 G HA2 -0.145 4.307 3.960 0.311 0.000 0.274 62 G HA3 -0.145 4.042 3.960 0.378 0.000 0.274 62 G C -3.018 172.150 174.900 0.447 0.000 1.621 62 G CA -0.113 45.204 45.100 0.362 0.000 0.935 62 G HN -0.581 7.915 8.290 0.343 0.000 0.694 63 A N 3.425 126.419 122.820 0.290 0.000 2.566 63 A HA 0.500 4.788 4.320 -0.053 0.000 0.292 63 A C -2.413 174.837 177.584 -0.556 0.000 1.112 63 A CA -1.132 50.864 52.037 -0.069 0.000 0.707 63 A CB 3.861 22.834 19.000 -0.045 0.000 1.302 63 A HN 0.315 8.907 8.150 0.234 -0.301 0.409 64 Q N 0.222 119.380 119.800 -1.069 0.000 2.257 64 Q HA 0.126 3.932 4.340 -1.153 -0.159 0.255 64 Q C -0.938 174.775 176.000 -0.479 0.000 0.920 64 Q CA -1.151 53.992 55.803 -1.098 0.000 0.927 64 Q CB 2.059 29.984 28.738 -1.355 0.000 1.229 64 Q HN 0.310 7.999 8.270 -0.969 0.000 0.433 65 D N 6.631 126.840 120.400 -0.319 0.000 2.425 65 D HA -0.146 4.418 4.640 -0.128 0.000 0.247 65 D C 0.853 177.069 176.300 -0.139 0.000 1.147 65 D CA 0.859 54.761 54.000 -0.162 0.000 0.879 65 D CB 1.586 42.328 40.800 -0.097 0.000 1.179 65 D HN 0.055 8.232 8.370 -0.323 0.000 0.456 66 D N 5.839 126.187 120.400 -0.087 0.000 2.149 66 D HA -0.202 4.394 4.640 -0.074 0.000 0.198 66 D C 0.906 177.181 176.300 -0.041 0.000 0.990 66 D CA 2.739 56.705 54.000 -0.058 0.000 0.839 66 D CB 0.210 41.001 40.800 -0.015 0.000 0.948 66 D HN 0.275 8.605 8.370 -0.067 0.000 0.460 67 V N -0.533 119.362 119.914 -0.032 0.000 2.521 67 V HA -0.104 4.007 4.120 -0.014 0.000 0.239 67 V C 0.947 177.028 176.094 -0.021 0.000 1.053 67 V CA 1.510 63.799 62.300 -0.019 0.000 1.073 67 V CB 0.972 32.790 31.823 -0.008 0.000 0.746 67 V HN -0.553 7.816 8.190 -0.034 -0.199 0.476 68 N N -0.873 117.812 118.700 -0.026 0.000 2.299 68 N HA 0.011 4.745 4.740 -0.010 0.000 0.187 68 N C 0.990 176.486 175.510 -0.024 0.000 1.099 68 N CA -0.262 52.778 53.050 -0.017 0.000 0.867 68 N CB 0.584 39.066 38.487 -0.009 0.000 0.974 68 N HN -0.368 8.243 8.380 -0.031 -0.249 0.477 69 G N -0.088 108.679 108.800 -0.056 0.000 2.162 69 G HA2 -0.514 3.465 3.960 -0.114 0.000 0.260 69 G HA3 -0.514 3.426 3.960 -0.034 0.000 0.260 69 G C -0.667 174.188 174.900 -0.076 0.000 0.976 69 G CA 0.436 45.492 45.100 -0.072 0.000 0.655 69 G HN -0.446 7.802 8.290 -0.071 0.000 0.533 70 Q N -0.526 119.238 119.800 -0.059 0.000 2.259 70 Q HA 0.088 4.480 4.340 0.086 0.000 0.249 70 Q C -0.485 175.479 176.000 -0.060 0.000 0.914 70 Q CA -0.528 55.282 55.803 0.011 0.000 0.904 70 Q CB 1.411 30.169 28.738 0.033 0.000 1.213 70 Q HN -0.249 8.275 8.270 -0.058 -0.289 0.428 71 W N 1.200 122.506 121.300 0.011 0.000 2.253 71 W HA 0.377 5.248 4.660 0.019 -0.199 0.348 71 W C 0.159 176.687 176.519 0.016 0.000 1.229 71 W CA -0.094 57.260 57.345 0.014 0.000 1.335 71 W CB 1.826 31.291 29.460 0.008 0.000 1.165 71 W HN 0.336 8.752 8.180 0.394 0.000 0.631 72 N N -2.864 116.009 118.700 0.288 0.000 3.201 72 N HA 0.154 4.986 4.740 0.153 0.000 0.344 72 N C 0.133 175.754 175.510 0.185 0.000 1.465 72 N CA -1.837 51.322 53.050 0.181 0.000 0.731 72 N CB 1.714 40.266 38.487 0.110 0.000 1.677 72 N HN -0.256 8.324 8.380 0.334 0.000 0.631 73 G N -2.090 106.774 108.800 0.107 0.000 2.601 73 G HA2 -0.459 3.790 3.960 0.027 0.000 0.261 73 G HA3 -0.459 3.609 3.960 0.092 -0.053 0.261 73 G C 0.423 175.337 174.900 0.023 0.000 1.289 73 G CA 0.702 45.841 45.100 0.064 0.000 0.920 73 G HN -0.056 8.691 8.290 0.084 -0.407 0.571 74 M N 1.906 121.495 119.600 -0.018 0.000 2.213 74 M HA -0.408 4.025 4.480 -0.078 0.000 0.263 74 M C 2.259 178.516 176.300 -0.071 0.000 1.062 74 M CA 3.887 59.148 55.300 -0.065 0.000 1.105 74 M CB 0.167 32.709 32.600 -0.098 0.000 1.385 74 M HN -0.343 7.933 8.290 -0.024 0.000 0.417 75 V N -0.656 119.237 119.914 -0.034 0.000 2.287 75 V HA -0.583 3.400 4.120 -0.228 0.000 0.248 75 V C 1.555 177.568 176.094 -0.135 0.000 1.053 75 V CA 4.105 66.317 62.300 -0.147 0.000 1.027 75 V CB -0.375 31.336 31.823 -0.186 0.000 0.646 75 V HN -0.571 7.630 8.190 0.034 0.010 0.447 76 R N -1.229 119.279 120.500 0.014 0.000 2.096 76 R HA -0.339 4.023 4.340 0.037 0.000 0.235 76 R C 1.919 178.214 176.300 -0.008 0.000 1.127 76 R CA 2.594 58.721 56.100 0.044 0.000 0.968 76 R CB -0.854 29.523 30.300 0.129 0.000 0.861 76 R HN -0.718 7.606 8.270 0.089 0.000 0.440 77 E N -0.864 119.319 120.200 -0.030 0.000 2.110 77 E HA -0.301 4.036 4.350 -0.022 0.000 0.193 77 E C 2.527 179.081 176.600 -0.077 0.000 0.988 77 E CA 2.873 59.246 56.400 -0.045 0.000 0.804 77 E CB -0.588 29.076 29.700 -0.060 0.000 0.745 77 E HN -0.606 7.737 8.360 -0.028 0.000 0.458 78 L N -1.031 120.115 121.223 -0.129 0.000 2.072 78 L HA -0.161 4.057 4.340 -0.203 0.000 0.205 78 L C 3.189 179.972 176.870 -0.144 0.000 1.079 78 L CA 2.579 57.306 54.840 -0.188 0.000 0.752 78 L CB 0.060 41.966 42.059 -0.255 0.000 0.906 78 L HN -0.670 7.469 8.230 -0.138 0.008 0.436 79 I N -0.393 120.110 120.570 -0.112 0.000 2.208 79 I HA -0.445 3.700 4.170 -0.041 0.000 0.245 79 I C 1.512 177.689 176.117 0.100 0.000 1.097 79 I CA 3.630 64.909 61.300 -0.036 0.000 1.363 79 I CB -0.071 37.883 38.000 -0.077 0.000 1.051 79 I HN -0.293 7.833 8.210 -0.140 0.000 0.413 80 D N -4.012 116.429 120.400 0.069 0.000 2.340 80 D HA 0.058 4.745 4.640 0.079 0.000 0.220 80 D C -0.819 175.582 176.300 0.168 0.000 1.039 80 D CA 0.369 54.423 54.000 0.089 0.000 0.866 80 D CB -0.182 40.645 40.800 0.045 0.000 0.913 80 D HN -0.499 7.873 8.370 0.024 0.013 0.523 81 H N -4.871 114.165 119.070 -0.055 0.000 2.820 81 H HA -0.335 4.182 4.556 -0.066 0.000 0.295 81 H C 0.098 175.398 175.328 -0.048 0.000 1.187 81 H CA 1.409 57.425 56.048 -0.054 0.000 1.144 81 H CB -2.618 27.119 29.762 -0.041 0.000 1.354 81 H HN -0.217 7.957 8.280 0.145 0.192 0.395 82 K N -3.778 116.636 120.400 0.024 0.000 2.400 82 K HA -0.020 4.307 4.320 0.011 0.000 0.194 82 K C -1.412 175.162 176.600 -0.044 0.000 1.033 82 K CA 0.888 57.173 56.287 -0.004 0.000 1.021 82 K CB 0.891 33.390 32.500 -0.002 0.000 0.808 82 K HN -0.226 8.001 8.250 0.013 0.030 0.505 83 A N -3.852 118.916 122.820 -0.088 0.000 2.454 83 A HA 0.182 4.439 4.320 -0.105 0.000 0.302 83 A C -2.353 175.124 177.584 -0.179 0.000 1.079 83 A CA -0.996 50.967 52.037 -0.124 0.000 0.731 83 A CB 2.593 21.512 19.000 -0.135 0.000 1.299 83 A HN -0.853 7.237 8.150 -0.101 0.000 0.413 84 D N -0.490 119.790 120.400 -0.200 0.000 2.240 84 D HA 0.085 4.573 4.640 -0.253 0.000 0.206 84 D C -0.327 175.795 176.300 -0.298 0.000 0.963 84 D CA 2.916 56.759 54.000 -0.261 0.000 0.863 84 D CB 2.174 42.788 40.800 -0.309 0.000 0.973 84 D HN -0.021 8.238 8.370 -0.185 0.000 0.501 85 L N -3.432 117.620 121.223 -0.285 0.000 2.393 85 L HA 0.692 5.067 4.340 -0.251 -0.186 0.260 85 L C -2.634 174.109 176.870 -0.211 0.000 1.002 85 L CA -1.566 53.116 54.840 -0.264 0.000 0.818 85 L CB 5.198 47.072 42.059 -0.308 0.000 1.369 85 L HN -0.656 7.417 8.230 -0.261 0.000 0.412 86 A N 1.102 123.814 122.820 -0.180 0.000 2.267 86 A HA 0.828 5.264 4.320 -0.161 -0.213 0.315 86 A C -1.385 176.141 177.584 -0.097 0.000 1.297 86 A CA -1.756 50.193 52.037 -0.147 0.000 0.865 86 A CB 1.793 20.711 19.000 -0.138 0.000 1.165 86 A HN 0.539 8.478 8.150 -0.179 0.103 0.513 87 V N 4.248 124.086 119.914 -0.126 0.000 2.313 87 V HA 0.201 4.302 4.120 -0.030 0.000 0.278 87 V C -1.861 174.169 176.094 -0.107 0.000 1.017 87 V CA -0.670 61.567 62.300 -0.104 0.000 0.823 87 V CB 0.330 32.044 31.823 -0.181 0.000 1.010 87 V HN -0.295 7.797 8.190 -0.164 0.000 0.443 88 A N 6.215 129.026 122.820 -0.015 0.000 2.515 88 A HA 0.342 4.605 4.320 -0.095 0.000 0.292 88 A C -2.883 174.657 177.584 -0.074 0.000 1.065 88 A CA -1.253 50.745 52.037 -0.066 0.000 0.641 88 A CB 1.677 20.613 19.000 -0.107 0.000 1.306 88 A HN 0.217 8.420 8.150 0.088 0.000 0.441 89 P HA 0.010 3.609 4.420 -1.368 0.000 0.237 89 P C -2.317 174.506 177.300 -0.795 0.000 1.788 89 P CA -0.145 62.244 63.100 -1.185 0.000 1.061 89 P CB -1.946 28.639 31.700 -1.859 0.000 1.967 90 L N 3.536 124.592 121.223 -0.279 0.000 2.262 90 L HA 0.149 4.566 4.340 0.128 0.000 0.288 90 L C -1.998 174.976 176.870 0.174 0.000 1.035 90 L CA -1.552 53.340 54.840 0.086 0.000 0.820 90 L CB 1.999 44.189 42.059 0.218 0.000 1.204 90 L HN -0.468 7.625 8.230 -0.170 0.034 0.424 91 A N 7.022 129.937 122.820 0.159 0.000 2.488 91 A HA 0.163 4.712 4.320 0.099 -0.170 0.249 91 A C 0.026 177.477 177.584 -0.222 0.000 1.083 91 A CA -0.795 51.272 52.037 0.051 0.000 0.768 91 A CB 0.428 19.434 19.000 0.010 0.000 1.017 91 A HN 0.410 8.631 8.150 0.118 0.000 0.496 92 I N 4.736 124.976 120.570 -0.549 0.000 2.436 92 I HA -0.087 2.882 4.170 -2.001 0.000 0.289 92 I C -0.629 175.208 176.117 -0.467 0.000 1.083 92 I CA 0.996 61.672 61.300 -1.039 0.000 1.372 92 I CB -0.743 36.758 38.000 -0.831 0.000 1.408 92 I HN -0.113 7.841 8.210 -0.426 0.000 0.516 93 T N 4.607 118.979 114.554 -0.303 0.000 2.906 93 T HA 0.335 4.655 4.350 -0.051 0.000 0.295 93 T C 0.347 175.080 174.700 0.055 0.000 1.075 93 T CA -2.848 59.222 62.100 -0.049 0.000 1.005 93 T CB 2.751 71.649 68.868 0.050 0.000 1.136 93 T HN -0.317 7.724 8.240 -0.332 0.000 0.498 94 Y N 3.777 124.078 120.300 0.002 0.000 2.081 94 Y HA -0.412 4.151 4.550 0.021 0.000 0.280 94 Y C 0.924 176.877 175.900 0.088 0.000 1.163 94 Y CA 3.228 61.347 58.100 0.033 0.000 1.135 94 Y CB -0.752 37.721 38.460 0.023 0.000 0.970 94 Y HN 0.387 8.808 8.280 0.236 0.000 0.498 95 V N -5.639 114.282 119.914 0.011 0.000 2.490 95 V HA -0.420 3.557 4.120 -0.239 0.000 0.250 95 V C 1.112 177.267 176.094 0.102 0.000 1.061 95 V CA 2.702 65.009 62.300 0.012 0.000 1.064 95 V CB -0.512 31.453 31.823 0.237 0.000 0.670 95 V HN -0.420 7.882 8.190 0.187 0.000 0.461 96 R N -1.155 119.416 120.500 0.118 0.000 2.090 96 R HA -0.253 3.880 4.340 -0.344 0.000 0.228 96 R C 2.147 178.454 176.300 0.012 0.000 1.110 96 R CA 3.173 59.261 56.100 -0.019 0.000 0.973 96 R CB 0.049 30.477 30.300 0.213 0.000 0.869 96 R HN -0.832 7.535 8.270 0.161 0.000 0.440 97 E N -1.025 119.248 120.200 0.120 0.000 2.265 97 E HA -0.183 4.443 4.350 0.224 -0.143 0.196 97 E C 1.327 177.904 176.600 -0.038 0.000 0.996 97 E CA 1.841 58.312 56.400 0.119 0.000 0.832 97 E CB -0.408 29.362 29.700 0.116 0.000 0.756 97 E HN -0.386 8.036 8.360 0.103 0.000 0.491 98 K N -3.136 117.185 120.400 -0.132 0.000 2.283 98 K HA -0.203 4.051 4.320 -0.110 0.000 0.202 98 K C 1.321 177.854 176.600 -0.112 0.000 1.048 98 K CA 2.308 58.515 56.287 -0.134 0.000 0.948 98 K CB 0.392 32.783 32.500 -0.181 0.000 0.742 98 K HN -0.681 7.443 8.250 -0.169 0.024 0.458 99 V N -8.550 111.254 119.914 -0.184 0.000 3.572 99 V HA 0.200 4.225 4.120 -0.159 0.000 0.260 99 V C -1.032 174.895 176.094 -0.279 0.000 1.324 99 V CA 0.002 62.154 62.300 -0.247 0.000 1.068 99 V CB 2.371 33.937 31.823 -0.428 0.000 0.837 99 V HN -0.549 7.365 8.190 -0.215 0.147 0.450 100 I N -5.610 114.778 120.570 -0.303 0.000 3.145 100 I HA 0.319 4.323 4.170 -0.276 0.000 0.313 100 I C -2.446 173.505 176.117 -0.276 0.000 1.122 100 I CA -2.225 58.874 61.300 -0.335 0.000 0.987 100 I CB 3.065 40.764 38.000 -0.501 0.000 1.236 100 I HN -0.465 7.574 8.210 -0.285 0.000 0.453 101 D N -0.644 119.582 120.400 -0.289 0.000 2.228 101 D HA 0.705 5.485 4.640 -0.056 -0.173 0.247 101 D C -0.838 175.290 176.300 -0.286 0.000 0.995 101 D CA -1.597 52.308 54.000 -0.159 0.000 0.903 101 D CB 3.752 44.505 40.800 -0.079 0.000 1.205 101 D HN -0.168 8.017 8.370 -0.308 0.000 0.459 102 F N -0.788 119.143 119.950 -0.032 0.000 2.551 102 F HA 0.579 5.294 4.527 -0.007 -0.193 0.316 102 F C 0.411 176.220 175.800 0.016 0.000 1.089 102 F CA -1.453 56.542 58.000 -0.009 0.000 0.915 102 F CB 4.547 43.540 39.000 -0.012 0.000 1.186 102 F HN -0.429 8.212 8.300 0.280 -0.173 0.456 103 S N 2.344 118.193 115.700 0.249 0.000 2.580 103 S HA 0.063 4.621 4.470 0.148 0.000 0.266 103 S C 0.652 175.353 174.600 0.169 0.000 1.354 103 S CA -0.373 57.940 58.200 0.189 0.000 1.008 103 S CB 1.067 64.387 63.200 0.200 0.000 0.898 103 S HN 0.421 8.877 8.310 0.243 0.000 0.555 104 K N 0.799 121.270 120.400 0.118 0.000 2.336 104 K HA -0.031 4.315 4.320 0.042 0.000 0.262 104 K C -1.378 175.268 176.600 0.077 0.000 0.992 104 K CA -0.237 56.093 56.287 0.073 0.000 0.927 104 K CB -0.983 31.552 32.500 0.058 0.000 0.956 104 K HN -0.092 8.225 8.250 0.112 0.000 0.495 105 P HA 0.104 4.653 4.420 -0.155 -0.223 0.275 105 P C -0.801 176.518 177.300 0.032 0.000 1.227 105 P CA -0.384 62.665 63.100 -0.085 0.000 0.781 105 P CB 0.425 32.032 31.700 -0.156 0.000 0.906 106 F N -2.244 117.778 119.950 0.120 0.000 2.749 106 F HA 0.212 4.818 4.527 0.132 0.000 0.300 106 F C -1.252 174.640 175.800 0.154 0.000 1.103 106 F CA -0.933 57.164 58.000 0.161 0.000 1.342 106 F CB 0.872 40.010 39.000 0.230 0.000 1.098 106 F HN -0.049 7.990 8.300 -0.435 0.000 0.586 107 M N -1.080 118.446 119.600 -0.125 0.000 2.413 107 M HA 0.276 4.738 4.480 -0.029 0.000 0.287 107 M C -2.591 173.525 176.300 -0.306 0.000 1.186 107 M CA -0.141 55.083 55.300 -0.127 0.000 0.927 107 M CB 4.246 36.820 32.600 -0.043 0.000 1.715 107 M HN -0.832 7.245 8.290 -0.356 0.000 0.478 108 T N 5.470 119.872 114.554 -0.254 0.000 2.885 108 T HA 0.774 5.049 4.350 -0.348 -0.134 0.285 108 T C -1.315 173.201 174.700 -0.307 0.000 1.019 108 T CA -1.985 59.944 62.100 -0.286 0.000 1.010 108 T CB 0.863 69.622 68.868 -0.183 0.000 1.022 108 T HN -0.024 8.101 8.240 -0.192 0.000 0.466 109 L N -0.165 120.857 121.223 -0.335 0.000 3.042 109 L HA 0.720 4.924 4.340 -0.228 0.000 0.282 109 L C -2.811 173.898 176.870 -0.268 0.000 1.032 109 L CA -0.886 53.773 54.840 -0.301 0.000 1.001 109 L CB 2.112 43.924 42.059 -0.411 0.000 1.587 109 L HN 0.336 8.366 8.230 -0.334 0.000 0.368 110 G N -4.287 104.374 108.800 -0.231 0.000 2.646 110 G HA2 0.592 4.467 3.960 -0.285 0.000 0.291 110 G HA3 0.592 4.568 3.960 -0.232 -0.155 0.291 110 G C -2.239 172.524 174.900 -0.227 0.000 1.445 110 G CA -0.245 44.707 45.100 -0.247 0.000 0.814 110 G HN -0.440 7.732 8.290 -0.197 0.000 0.495 111 I N -0.041 120.346 120.570 -0.304 0.000 2.710 111 I HA -0.217 3.832 4.170 -0.200 0.000 0.286 111 I C -1.368 174.633 176.117 -0.193 0.000 1.181 111 I CA 2.194 63.334 61.300 -0.266 0.000 1.430 111 I CB -0.188 37.570 38.000 -0.403 0.000 1.367 111 I HN 0.211 8.532 8.210 -0.392 -0.346 0.577 112 S N 4.421 120.053 115.700 -0.113 0.000 2.998 112 S HA 0.551 4.973 4.470 -0.081 0.000 0.321 112 S C -1.924 172.650 174.600 -0.044 0.000 1.171 112 S CA -2.539 55.620 58.200 -0.069 0.000 0.882 112 S CB 2.955 66.132 63.200 -0.038 0.000 1.301 112 S HN 0.518 8.769 8.310 -0.097 0.000 0.629 113 I N -0.014 120.550 120.570 -0.010 0.000 2.436 113 I HA 0.343 4.660 4.170 -0.021 -0.160 0.289 113 I C -1.845 174.320 176.117 0.081 0.000 1.010 113 I CA -0.815 60.486 61.300 0.003 0.000 1.098 113 I CB 3.195 41.176 38.000 -0.032 0.000 1.266 113 I HN 0.032 8.243 8.210 0.001 0.000 0.434 114 L N 8.128 129.438 121.223 0.145 0.000 2.282 114 L HA 0.723 5.348 4.340 0.195 -0.168 0.288 114 L C -2.440 174.616 176.870 0.311 0.000 1.033 114 L CA -1.433 53.543 54.840 0.227 0.000 0.807 114 L CB 2.472 44.709 42.059 0.296 0.000 1.209 114 L HN 0.483 8.799 8.230 0.143 0.000 0.423 115 Y N 6.519 126.878 120.300 0.098 0.000 2.764 115 Y HA 0.357 4.972 4.550 0.108 0.000 0.331 115 Y C -1.997 173.948 175.900 0.075 0.000 1.280 115 Y CA -1.954 56.198 58.100 0.086 0.000 1.065 115 Y CB 3.629 42.120 38.460 0.051 0.000 1.319 115 Y HN 0.354 8.793 8.280 0.264 0.000 0.453 116 R N 0.394 120.577 120.500 -0.529 0.000 2.582 116 R HA 0.246 4.613 4.340 -0.192 -0.142 0.271 116 R C 0.014 176.152 176.300 -0.271 0.000 1.078 116 R CA 0.257 56.122 56.100 -0.391 0.000 1.127 116 R CB 0.945 30.954 30.300 -0.485 0.000 1.038 116 R HN 0.352 7.882 8.270 -1.234 0.000 0.500 117 K N 1.759 122.082 120.400 -0.128 0.000 2.138 117 K HA -0.079 4.224 4.320 -0.029 0.000 0.251 117 K C 0.893 177.452 176.600 -0.068 0.000 1.015 117 K CA 1.119 57.370 56.287 -0.060 0.000 0.917 117 K CB 0.210 32.693 32.500 -0.028 0.000 1.021 117 K HN -0.241 7.945 8.250 -0.106 0.000 0.485 118 G N -1.499 107.288 108.800 -0.022 0.000 2.157 118 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.239 118 G HA3 -0.252 3.695 3.960 -0.022 0.000 0.239 118 G C -0.727 174.177 174.900 0.005 0.000 0.982 118 G CA -0.240 44.853 45.100 -0.012 0.000 0.650 118 G HN 0.397 8.685 8.290 -0.004 0.000 0.527 119 T N -1.152 113.419 114.554 0.029 0.000 2.949 119 T HA 0.482 4.866 4.350 0.057 0.000 0.287 119 T C -0.930 173.820 174.700 0.084 0.000 1.034 119 T CA -3.556 58.589 62.100 0.075 0.000 1.018 119 T CB 1.330 70.298 68.868 0.167 0.000 1.135 119 T HN -0.646 7.614 8.240 0.033 0.000 0.532 120 P HA 0.180 4.628 4.420 0.046 0.000 0.253 120 P C -0.979 176.354 177.300 0.055 0.000 1.260 120 P CA -0.251 62.883 63.100 0.056 0.000 0.800 120 P CB 0.212 31.936 31.700 0.040 0.000 1.162 121 I N 0.642 121.266 120.570 0.089 0.000 2.517 121 I HA -0.306 3.867 4.170 0.005 0.000 0.285 121 I C -0.950 175.192 176.117 0.042 0.000 1.106 121 I CA -0.697 60.630 61.300 0.044 0.000 1.402 121 I CB -1.169 36.843 38.000 0.020 0.000 1.399 121 I HN -0.588 7.649 8.210 0.142 0.058 0.535 122 D N 5.324 125.729 120.400 0.007 0.000 2.520 122 D HA 0.098 4.754 4.640 0.027 0.000 0.223 122 D C -1.737 174.562 176.300 -0.002 0.000 1.186 122 D CA -0.210 53.797 54.000 0.012 0.000 0.821 122 D CB 2.784 43.591 40.800 0.013 0.000 1.072 122 D HN 0.427 9.125 8.370 -0.010 -0.335 0.518 123 S N -5.934 109.752 115.700 -0.024 0.000 2.611 123 S HA 0.241 4.705 4.470 -0.008 0.000 0.268 123 S C -0.451 174.117 174.600 -0.052 0.000 1.156 123 S CA -1.579 56.609 58.200 -0.021 0.000 0.817 123 S CB 2.917 66.112 63.200 -0.008 0.000 1.122 123 S HN -1.040 7.246 8.310 -0.041 0.000 0.466 124 A N 1.384 124.199 122.820 -0.009 0.000 1.940 124 A HA -0.377 3.874 4.320 -0.115 0.000 0.219 124 A C 1.087 178.637 177.584 -0.056 0.000 1.176 124 A CA 3.038 55.066 52.037 -0.014 0.000 0.631 124 A CB -0.313 18.811 19.000 0.207 0.000 0.814 124 A HN 0.651 8.821 8.150 0.033 0.000 0.446 125 D N -2.906 117.479 120.400 -0.025 0.000 2.149 125 D HA -0.314 4.294 4.640 -0.053 0.000 0.198 125 D C 1.552 177.804 176.300 -0.080 0.000 0.990 125 D CA 2.825 56.794 54.000 -0.052 0.000 0.839 125 D CB -0.139 40.635 40.800 -0.044 0.000 0.948 125 D HN -0.101 8.259 8.370 -0.001 0.009 0.460 126 D N -0.708 119.640 120.400 -0.086 0.000 2.144 126 D HA -0.199 4.397 4.640 -0.073 0.000 0.199 126 D C 1.890 178.100 176.300 -0.151 0.000 0.984 126 D CA 2.776 56.719 54.000 -0.095 0.000 0.834 126 D CB -0.275 40.479 40.800 -0.076 0.000 0.955 126 D HN -0.645 7.674 8.370 -0.074 0.007 0.465 127 L N -0.917 120.160 121.223 -0.245 0.000 2.056 127 L HA -0.279 3.875 4.340 -0.311 0.000 0.207 127 L C 1.939 178.599 176.870 -0.349 0.000 1.078 127 L CA 2.762 57.369 54.840 -0.389 0.000 0.749 127 L CB -0.329 41.301 42.059 -0.715 0.000 0.901 127 L HN -0.840 7.160 8.230 -0.244 0.084 0.433 128 A N -1.817 120.831 122.820 -0.286 0.000 1.972 128 A HA -0.179 4.060 4.320 -0.135 0.000 0.219 128 A C 0.777 178.320 177.584 -0.069 0.000 1.169 128 A CA 2.350 54.301 52.037 -0.143 0.000 0.635 128 A CB -0.006 18.958 19.000 -0.059 0.000 0.810 128 A HN -0.218 7.781 8.150 -0.252 0.000 0.446 129 K N -3.706 116.649 120.400 -0.075 0.000 2.505 129 K HA -0.103 4.202 4.320 -0.025 0.000 0.192 129 K C -0.042 176.535 176.600 -0.038 0.000 1.025 129 K CA 0.313 56.575 56.287 -0.042 0.000 1.086 129 K CB -0.294 32.184 32.500 -0.037 0.000 0.840 129 K HN -0.568 7.605 8.250 -0.093 0.022 0.514 130 Q N -1.114 118.648 119.800 -0.062 0.000 2.553 130 Q HA 0.221 4.546 4.340 -0.025 0.000 0.293 130 Q C -1.586 174.358 176.000 -0.093 0.000 1.038 130 Q CA -0.751 55.022 55.803 -0.050 0.000 0.777 130 Q CB 1.595 30.307 28.738 -0.043 0.000 1.487 130 Q HN -0.569 7.579 8.270 -0.087 0.070 0.426 131 T N -8.579 105.949 114.554 -0.043 0.000 3.041 131 T HA 0.187 4.398 4.350 -0.232 0.000 0.276 131 T C 0.842 175.578 174.700 0.059 0.000 0.948 131 T CA -0.645 61.440 62.100 -0.025 0.000 0.885 131 T CB 1.267 70.236 68.868 0.169 0.000 1.175 131 T HN -0.099 8.138 8.240 -0.005 0.000 0.529 132 K N 2.796 123.223 120.400 0.046 0.000 2.057 132 K HA -0.184 4.187 4.320 0.084 0.000 0.207 132 K C 0.102 176.757 176.600 0.091 0.000 1.049 132 K CA 2.149 58.479 56.287 0.071 0.000 0.931 132 K CB 0.173 32.708 32.500 0.057 0.000 0.714 132 K HN -0.292 8.023 8.250 0.028 -0.049 0.440 133 I N 0.413 121.020 120.570 0.063 0.000 2.301 133 I HA -0.083 4.304 4.170 0.138 -0.134 0.292 133 I C -0.638 175.525 176.117 0.078 0.000 1.046 133 I CA -0.111 61.236 61.300 0.079 0.000 1.282 133 I CB -0.102 37.890 38.000 -0.015 0.000 1.409 133 I HN -0.352 8.241 8.210 0.028 -0.366 0.484 134 E N 7.303 127.605 120.200 0.170 0.000 2.369 134 E HA -0.002 4.424 4.350 0.127 0.000 0.255 134 E C -1.501 175.125 176.600 0.042 0.000 1.172 134 E CA -0.359 56.159 56.400 0.198 0.000 0.932 134 E CB 1.919 31.842 29.700 0.372 0.000 1.040 134 E HN -0.198 8.295 8.360 0.222 0.000 0.454 135 Y N -6.427 113.860 120.300 -0.023 0.000 2.624 135 Y HA 1.022 5.220 4.550 -0.948 -0.217 0.334 135 Y C -1.595 174.247 175.900 -0.096 0.000 1.155 135 Y CA -1.999 55.858 58.100 -0.405 0.000 1.046 135 Y CB 3.307 41.551 38.460 -0.359 0.000 1.316 135 Y HN -0.023 8.179 8.280 -0.130 0.000 0.457 136 G N -2.844 105.976 108.800 0.033 0.000 2.578 136 G HA2 0.497 4.556 3.960 0.164 0.000 0.302 136 G HA3 0.497 4.941 3.960 0.403 -0.242 0.302 136 G C -3.405 171.618 174.900 0.205 0.000 1.243 136 G CA 0.022 45.267 45.100 0.240 0.000 0.843 136 G HN -0.359 7.870 8.290 -0.101 0.000 0.486 137 A N -3.339 119.668 122.820 0.312 0.000 2.586 137 A HA 0.650 4.773 4.320 -0.328 0.000 0.290 137 A C -2.025 175.773 177.584 0.356 0.000 1.086 137 A CA -0.931 51.165 52.037 0.098 0.000 0.665 137 A CB 3.097 22.124 19.000 0.045 0.000 1.279 137 A HN -0.497 7.895 8.150 0.403 0.000 0.423 138 V N 0.079 120.164 119.914 0.285 0.000 2.529 138 V HA -0.151 4.362 4.120 0.370 -0.171 0.292 138 V C 0.074 176.308 176.094 0.233 0.000 1.028 138 V CA 0.644 63.129 62.300 0.308 0.000 1.074 138 V CB 0.210 32.185 31.823 0.253 0.000 0.958 138 V HN 0.564 8.836 8.190 0.137 0.000 0.481 139 E N 8.842 129.178 120.200 0.227 0.000 2.415 139 E HA -0.413 4.062 4.350 0.209 0.000 0.263 139 E C -0.312 176.399 176.600 0.184 0.000 0.995 139 E CA 1.560 58.078 56.400 0.197 0.000 0.915 139 E CB 0.487 30.286 29.700 0.164 0.000 0.951 139 E HN 0.063 8.560 8.360 0.229 0.000 0.449 140 D N 2.519 123.016 120.400 0.162 0.000 2.981 140 D HA -0.300 4.407 4.640 0.113 0.000 0.223 140 D C -0.922 175.488 176.300 0.185 0.000 1.151 140 D CA 1.790 55.878 54.000 0.146 0.000 0.827 140 D CB -1.187 39.694 40.800 0.134 0.000 1.101 140 D HN -0.121 8.346 8.370 0.161 0.000 0.426 141 G N -3.934 104.961 108.800 0.158 0.000 2.887 141 G HA2 0.348 4.406 3.960 0.162 0.000 0.277 141 G HA3 0.348 4.330 3.960 0.036 0.000 0.277 141 G C -1.079 173.869 174.900 0.080 0.000 1.346 141 G CA -1.434 43.731 45.100 0.109 0.000 1.058 141 G HN -0.942 7.395 8.290 0.148 0.041 0.535 142 A N -1.474 121.363 122.820 0.029 0.000 1.929 142 A HA -0.231 4.141 4.320 0.086 0.000 0.216 142 A C 2.203 179.821 177.584 0.057 0.000 1.176 142 A CA 3.213 55.279 52.037 0.048 0.000 0.628 142 A CB -0.550 18.456 19.000 0.009 0.000 0.816 142 A HN 0.596 8.722 8.150 -0.039 0.000 0.444 143 T N 2.054 116.631 114.554 0.038 0.000 2.708 143 T HA -0.443 3.959 4.350 0.086 0.000 0.266 143 T C 1.631 176.499 174.700 0.279 0.000 1.037 143 T CA 5.014 67.183 62.100 0.116 0.000 1.146 143 T CB -0.300 68.592 68.868 0.041 0.000 0.865 143 T HN -0.150 8.087 8.240 -0.005 0.000 0.435 144 M N 2.273 121.990 119.600 0.195 0.000 2.080 144 M HA -0.431 4.234 4.480 0.308 0.000 0.260 144 M C 1.543 177.839 176.300 -0.006 0.000 1.068 144 M CA 4.327 59.741 55.300 0.190 0.000 1.109 144 M CB -0.185 32.520 32.600 0.176 0.000 1.342 144 M HN 0.033 8.409 8.290 0.142 0.000 0.405 145 T N 1.665 116.215 114.554 -0.007 0.000 2.788 145 T HA -0.445 3.778 4.350 -0.210 0.000 0.268 145 T C 1.671 176.307 174.700 -0.108 0.000 1.044 145 T CA 4.567 66.610 62.100 -0.095 0.000 1.139 145 T CB -0.250 68.616 68.868 -0.003 0.000 0.867 145 T HN -0.535 7.734 8.240 0.048 0.000 0.454 146 F N 3.091 122.953 119.950 -0.148 0.000 2.095 146 F HA -0.508 3.895 4.527 -0.207 0.000 0.298 146 F C 0.999 176.608 175.800 -0.318 0.000 1.104 146 F CA 3.860 61.715 58.000 -0.243 0.000 1.232 146 F CB 0.078 38.884 39.000 -0.324 0.000 0.987 146 F HN -0.353 8.053 8.300 0.177 0.000 0.475 147 F N -2.910 116.958 119.950 -0.136 0.000 2.134 147 F HA -0.462 3.949 4.527 -0.192 0.000 0.299 147 F C 2.731 178.229 175.800 -0.504 0.000 1.097 147 F CA 3.859 61.757 58.000 -0.170 0.000 1.264 147 F CB -0.215 38.914 39.000 0.215 0.000 1.001 147 F HN -0.533 7.925 8.300 0.262 0.000 0.479 148 K N -1.244 118.635 120.400 -0.868 0.000 2.103 148 K HA -0.358 2.449 4.320 -2.521 0.000 0.207 148 K C 1.476 177.696 176.600 -0.634 0.000 1.048 148 K CA 2.688 58.113 56.287 -1.437 0.000 0.930 148 K CB -0.063 31.661 32.500 -1.293 0.000 0.716 148 K HN -0.141 7.657 8.250 -0.752 0.000 0.444 149 R N -4.750 115.482 120.500 -0.447 0.000 2.280 149 R HA -0.004 4.197 4.340 -0.232 0.000 0.195 149 R C -0.163 175.961 176.300 -0.293 0.000 0.935 149 R CA 0.159 56.081 56.100 -0.295 0.000 1.033 149 R CB 0.489 30.654 30.300 -0.224 0.000 0.964 149 R HN -0.626 7.347 8.270 -0.463 0.019 0.489 150 S N -0.297 115.164 115.700 -0.398 0.000 2.549 150 S HA -0.065 4.157 4.470 -0.412 0.000 0.279 150 S C 0.097 174.601 174.600 -0.161 0.000 1.321 150 S CA -0.158 57.810 58.200 -0.386 0.000 1.054 150 S CB 0.570 63.432 63.200 -0.563 0.000 0.899 150 S HN -0.672 7.262 8.310 -0.445 0.109 0.497 151 K N 3.837 124.160 120.400 -0.129 0.000 2.358 151 K HA 0.093 4.387 4.320 -0.042 0.000 0.197 151 K C -0.205 176.360 176.600 -0.058 0.000 1.025 151 K CA -0.523 55.724 56.287 -0.066 0.000 1.104 151 K CB 0.311 32.774 32.500 -0.062 0.000 0.855 151 K HN 0.145 8.304 8.250 -0.151 0.000 0.531 152 I N 2.566 123.093 120.570 -0.072 0.000 2.556 152 I HA -0.034 4.071 4.170 -0.109 0.000 0.284 152 I C 1.673 177.707 176.117 -0.139 0.000 1.114 152 I CA -0.719 60.510 61.300 -0.119 0.000 1.418 152 I CB -0.485 37.421 38.000 -0.157 0.000 1.394 152 I HN -0.732 7.433 8.210 -0.075 0.000 0.552 153 S N 9.186 124.806 115.700 -0.134 0.000 2.359 153 S HA -0.243 4.417 4.470 -0.035 -0.210 0.224 153 S C 2.099 176.649 174.600 -0.083 0.000 1.035 153 S CA 3.464 61.616 58.200 -0.080 0.000 1.018 153 S CB -0.711 62.450 63.200 -0.066 0.000 0.876 153 S HN 0.449 8.678 8.310 -0.135 0.000 0.448 154 T N 3.967 118.396 114.554 -0.209 0.000 2.684 154 T HA -0.306 4.006 4.350 -0.064 0.000 0.267 154 T C 1.606 176.340 174.700 0.057 0.000 1.036 154 T CA 4.681 66.685 62.100 -0.159 0.000 1.148 154 T CB -0.260 68.412 68.868 -0.327 0.000 0.863 154 T HN -0.015 8.047 8.240 -0.297 0.000 0.436 155 Y N -1.095 119.293 120.300 0.147 0.000 2.373 155 Y HA -0.145 4.697 4.550 0.488 0.000 0.293 155 Y C 1.738 177.832 175.900 0.323 0.000 1.129 155 Y CA -0.266 58.002 58.100 0.279 0.000 1.226 155 Y CB -1.239 37.234 38.460 0.021 0.000 1.000 155 Y HN -0.665 7.374 8.280 -0.400 0.000 0.549 156 D N -0.470 120.101 120.400 0.285 0.000 2.183 156 D HA -0.335 4.512 4.640 0.345 0.000 0.203 156 D C 1.812 178.287 176.300 0.290 0.000 0.969 156 D CA 3.148 57.310 54.000 0.271 0.000 0.842 156 D CB -0.599 40.286 40.800 0.141 0.000 0.957 156 D HN 0.008 8.479 8.370 0.167 0.000 0.484 157 K N 0.501 121.035 120.400 0.222 0.000 2.026 157 K HA -0.310 4.112 4.320 0.170 0.000 0.208 157 K C 2.370 179.140 176.600 0.283 0.000 1.048 157 K CA 3.090 59.495 56.287 0.196 0.000 0.929 157 K CB -0.036 32.539 32.500 0.125 0.000 0.713 157 K HN -0.545 7.813 8.250 0.179 0.000 0.439 158 M N -0.776 119.040 119.600 0.361 0.000 2.159 158 M HA -0.329 4.458 4.480 0.511 0.000 0.263 158 M C 2.088 178.665 176.300 0.462 0.000 1.063 158 M CA 3.710 59.282 55.300 0.454 0.000 1.110 158 M CB 0.332 33.154 32.600 0.372 0.000 1.374 158 M HN -0.427 8.084 8.290 0.367 0.000 0.411 159 W N -0.154 121.337 121.300 0.318 0.000 2.358 159 W HA -0.384 4.397 4.660 0.201 0.000 0.303 159 W C 0.653 177.271 176.519 0.165 0.000 1.208 159 W CA 2.795 60.282 57.345 0.236 0.000 1.274 159 W CB 0.448 30.053 29.460 0.242 0.000 1.138 159 W HN -0.038 8.551 8.180 0.682 0.000 0.515 160 A N -1.237 121.597 122.820 0.024 0.000 1.908 160 A HA -0.407 3.764 4.320 -0.248 0.000 0.218 160 A C 1.736 179.217 177.584 -0.172 0.000 1.181 160 A CA 3.100 55.067 52.037 -0.117 0.000 0.627 160 A CB -1.275 17.753 19.000 0.047 0.000 0.818 160 A HN -0.296 7.983 8.150 0.215 0.000 0.445 161 F N 0.123 119.970 119.950 -0.172 0.000 2.102 161 F HA -0.284 4.123 4.527 -0.199 0.000 0.298 161 F C 1.938 177.523 175.800 -0.358 0.000 1.105 161 F CA 3.524 61.388 58.000 -0.227 0.000 1.239 161 F CB 0.506 39.397 39.000 -0.181 0.000 0.991 161 F HN -0.711 7.725 8.300 0.227 0.000 0.474 162 M N -1.103 118.342 119.600 -0.258 0.000 2.117 162 M HA -0.524 3.738 4.480 -0.363 0.000 0.262 162 M C 1.849 177.783 176.300 -0.611 0.000 1.065 162 M CA 3.786 58.855 55.300 -0.385 0.000 1.114 162 M CB -0.025 32.482 32.600 -0.156 0.000 1.361 162 M HN -0.168 8.076 8.290 -0.076 0.000 0.408 163 S N -1.524 113.608 115.700 -0.947 0.000 2.356 163 S HA -0.248 3.752 4.470 -0.784 0.000 0.223 163 S C 2.870 177.188 174.600 -0.470 0.000 1.032 163 S CA 3.377 61.067 58.200 -0.850 0.000 1.005 163 S CB -0.130 62.455 63.200 -1.026 0.000 0.867 163 S HN -0.022 7.622 8.310 -1.110 0.000 0.449 164 S N 3.374 118.805 115.700 -0.449 0.000 2.382 164 S HA -0.214 4.095 4.470 -0.268 0.000 0.228 164 S C 1.639 176.022 174.600 -0.362 0.000 1.027 164 S CA 2.731 60.723 58.200 -0.347 0.000 0.991 164 S CB -0.079 62.929 63.200 -0.320 0.000 0.823 164 S HN -0.302 7.718 8.310 -0.483 0.000 0.469 165 R N -0.152 120.053 120.500 -0.492 0.000 2.515 165 R HA 0.291 4.430 4.340 -0.335 0.000 0.294 165 R C 0.510 176.644 176.300 -0.276 0.000 1.021 165 R CA -1.013 54.831 56.100 -0.426 0.000 1.081 165 R CB -0.110 29.798 30.300 -0.654 0.000 1.263 165 R HN -0.562 7.348 8.270 -0.599 0.000 0.557 166 R N -0.480 119.876 120.500 -0.241 0.000 2.127 166 R HA -0.341 3.970 4.340 -0.129 -0.049 0.238 166 R C 1.831 178.089 176.300 -0.069 0.000 1.134 166 R CA 3.270 59.287 56.100 -0.139 0.000 0.975 166 R CB -0.791 29.439 30.300 -0.117 0.000 0.865 166 R HN -0.844 7.204 8.270 -0.265 0.064 0.447 167 Q N -1.944 117.810 119.800 -0.077 0.000 2.226 167 Q HA -0.203 4.121 4.340 -0.028 0.000 0.204 167 Q C 1.352 177.326 176.000 -0.043 0.000 0.975 167 Q CA 1.996 57.771 55.803 -0.047 0.000 0.866 167 Q CB -1.102 27.606 28.738 -0.050 0.000 0.915 167 Q HN 0.396 8.607 8.270 -0.099 0.000 0.440 168 S N -2.564 113.099 115.700 -0.061 0.000 2.468 168 S HA -0.002 4.437 4.470 -0.051 0.000 0.226 168 S C 1.502 176.090 174.600 -0.019 0.000 1.051 168 S CA 1.579 59.748 58.200 -0.051 0.000 0.943 168 S CB 1.126 64.290 63.200 -0.061 0.000 0.810 168 S HN -0.389 7.851 8.310 -0.086 0.018 0.509 169 V N -4.891 115.036 119.914 0.021 0.000 3.644 169 V HA 0.208 4.471 4.120 0.239 0.000 0.267 169 V C -1.502 174.739 176.094 0.244 0.000 1.277 169 V CA -0.061 62.351 62.300 0.188 0.000 1.096 169 V CB 0.827 32.770 31.823 0.200 0.000 0.828 169 V HN -0.436 7.739 8.190 -0.025 0.000 0.446 170 L N 0.348 121.656 121.223 0.142 0.000 2.292 170 L HA 0.443 5.139 4.340 0.276 -0.191 0.284 170 L C -0.045 176.921 176.870 0.160 0.000 1.065 170 L CA -0.463 54.493 54.840 0.194 0.000 0.806 170 L CB 0.826 42.983 42.059 0.162 0.000 1.175 170 L HN -0.747 7.528 8.230 0.075 0.000 0.431 171 V N -6.169 113.874 119.914 0.215 0.000 3.113 171 V HA 0.578 4.854 4.120 0.085 -0.105 0.316 171 V C -0.160 176.030 176.094 0.161 0.000 1.125 171 V CA -3.467 58.918 62.300 0.142 0.000 1.026 171 V CB 3.600 35.476 31.823 0.089 0.000 1.080 171 V HN 0.089 8.455 8.190 0.294 0.000 0.444 172 K N -1.771 118.697 120.400 0.114 0.000 2.361 172 K HA 0.063 4.468 4.320 0.142 0.000 0.196 172 K C -0.579 176.117 176.600 0.161 0.000 1.039 172 K CA -0.131 56.233 56.287 0.127 0.000 1.001 172 K CB 0.711 33.262 32.500 0.086 0.000 0.795 172 K HN 0.346 9.344 8.250 0.079 -0.701 0.495 173 S N -6.437 109.359 115.700 0.160 0.000 2.596 173 S HA 0.146 4.764 4.470 0.246 0.000 0.270 173 S C -0.748 173.971 174.600 0.199 0.000 1.155 173 S CA -1.690 56.623 58.200 0.190 0.000 0.827 173 S CB 3.085 66.362 63.200 0.129 0.000 1.130 173 S HN -0.867 7.521 8.310 0.131 0.000 0.467 174 N N 1.631 120.483 118.700 0.255 0.000 2.149 174 N HA -0.385 4.622 4.740 0.446 0.000 0.188 174 N C 1.448 177.011 175.510 0.088 0.000 1.019 174 N CA 3.715 56.937 53.050 0.287 0.000 0.857 174 N CB -0.127 38.556 38.487 0.326 0.000 0.997 174 N HN 0.675 9.214 8.380 0.266 0.000 0.426 175 E N 0.706 120.952 120.200 0.077 0.000 2.110 175 E HA -0.358 4.018 4.350 0.043 0.000 0.193 175 E C 1.616 178.188 176.600 -0.046 0.000 0.988 175 E CA 2.948 59.367 56.400 0.031 0.000 0.804 175 E CB -0.705 29.025 29.700 0.050 0.000 0.745 175 E HN 0.431 8.853 8.360 0.103 0.000 0.458 176 E N -1.155 119.008 120.200 -0.062 0.000 2.150 176 E HA -0.289 4.001 4.350 -0.099 0.000 0.193 176 E C 2.552 178.984 176.600 -0.281 0.000 0.985 176 E CA 2.259 58.588 56.400 -0.119 0.000 0.814 176 E CB -0.252 29.407 29.700 -0.068 0.000 0.752 176 E HN -0.593 7.756 8.360 -0.019 0.000 0.466 177 G N -0.178 108.312 108.800 -0.516 0.000 2.418 177 G HA2 -0.255 3.138 3.960 -0.945 0.000 0.217 177 G HA3 -0.255 2.186 3.960 -2.532 0.000 0.217 177 G C 0.986 175.496 174.900 -0.649 0.000 1.158 177 G CA 1.910 46.299 45.100 -1.184 0.000 0.771 177 G HN -0.476 7.478 8.290 -0.429 0.079 0.545 178 I N 2.284 122.651 120.570 -0.339 0.000 2.163 178 I HA -0.653 3.516 4.170 -0.002 0.000 0.243 178 I C 1.789 177.871 176.117 -0.058 0.000 1.085 178 I CA 4.168 65.424 61.300 -0.073 0.000 1.347 178 I CB -0.211 37.800 38.000 0.019 0.000 1.044 178 I HN -0.072 7.959 8.210 -0.298 0.000 0.408 179 Q N -2.326 117.417 119.800 -0.094 0.000 2.124 179 Q HA -0.377 3.940 4.340 -0.039 0.000 0.202 179 Q C 2.968 178.908 176.000 -0.099 0.000 0.977 179 Q CA 2.754 58.513 55.803 -0.073 0.000 0.850 179 Q CB -0.834 27.861 28.738 -0.071 0.000 0.901 179 Q HN -0.350 7.852 8.270 -0.114 0.000 0.429 180 R N -0.222 120.159 120.500 -0.198 0.000 2.081 180 R HA -0.246 3.947 4.340 -0.245 0.000 0.235 180 R C 2.574 178.846 176.300 -0.048 0.000 1.131 180 R CA 3.365 59.289 56.100 -0.293 0.000 0.960 180 R CB -0.056 29.751 30.300 -0.823 0.000 0.856 180 R HN -0.426 7.691 8.270 -0.253 0.000 0.436 181 V N -0.568 119.427 119.914 0.136 0.000 2.332 181 V HA -0.356 4.175 4.120 0.411 -0.165 0.248 181 V C 1.960 178.133 176.094 0.132 0.000 1.055 181 V CA 3.662 66.123 62.300 0.268 0.000 1.038 181 V CB -0.043 31.948 31.823 0.281 0.000 0.651 181 V HN -0.492 7.753 8.190 0.092 0.000 0.450 182 L N -5.453 115.807 121.223 0.061 0.000 2.313 182 L HA -0.154 4.204 4.340 0.030 0.000 0.214 182 L C 1.099 177.980 176.870 0.018 0.000 1.119 182 L CA 1.910 56.768 54.840 0.030 0.000 0.809 182 L CB 0.242 42.310 42.059 0.015 0.000 0.933 182 L HN -0.608 7.647 8.230 0.041 0.000 0.449 183 T N -7.925 106.637 114.554 0.013 0.000 3.043 183 T HA 0.098 4.451 4.350 0.005 0.000 0.272 183 T C -0.104 174.604 174.700 0.014 0.000 0.990 183 T CA -0.726 61.376 62.100 0.002 0.000 0.897 183 T CB 0.872 69.727 68.868 -0.021 0.000 1.111 183 T HN -0.414 7.796 8.240 0.010 0.036 0.529 184 S N 1.660 117.389 115.700 0.047 0.000 2.656 184 S HA 0.089 4.599 4.470 0.066 0.000 0.273 184 S C -2.122 172.580 174.600 0.169 0.000 1.168 184 S CA -0.695 57.554 58.200 0.081 0.000 0.817 184 S CB 2.320 65.548 63.200 0.046 0.000 1.146 184 S HN -0.538 7.811 8.310 0.065 0.000 0.475 185 D N 1.979 122.496 120.400 0.195 0.000 2.483 185 D HA 0.090 4.905 4.640 0.291 0.000 0.220 185 D C -1.991 174.539 176.300 0.383 0.000 1.173 185 D CA -0.101 54.063 54.000 0.273 0.000 0.964 185 D CB -0.951 39.974 40.800 0.207 0.000 1.046 185 D HN 0.185 8.652 8.370 0.160 0.000 0.517 186 Y N 4.964 125.443 120.300 0.298 0.000 2.482 186 Y HA 0.525 5.429 4.550 0.210 -0.228 0.334 186 Y C -2.848 173.256 175.900 0.339 0.000 1.091 186 Y CA -0.866 57.386 58.100 0.253 0.000 1.027 186 Y CB 3.758 42.325 38.460 0.180 0.000 1.306 186 Y HN -0.682 7.931 8.280 0.555 0.000 0.446 187 A N 6.508 129.192 122.820 -0.228 0.000 2.330 187 A HA 0.611 5.175 4.320 0.182 -0.134 0.327 187 A C -2.674 174.747 177.584 -0.272 0.000 1.155 187 A CA -2.393 49.554 52.037 -0.151 0.000 0.803 187 A CB 3.002 21.756 19.000 -0.410 0.000 1.208 187 A HN 0.594 8.500 8.150 -0.405 0.000 0.477 188 F N 3.879 123.756 119.950 -0.121 0.000 2.444 188 F HA 0.397 4.839 4.527 -0.142 0.000 0.342 188 F C -2.145 173.663 175.800 0.013 0.000 1.121 188 F CA -2.770 55.214 58.000 -0.027 0.000 0.997 188 F CB 3.552 42.683 39.000 0.218 0.000 1.130 188 F HN 0.356 8.830 8.300 0.289 0.000 0.454 189 L N 8.792 129.755 121.223 -0.433 0.000 2.315 189 L HA 0.310 4.706 4.340 -0.212 -0.182 0.283 189 L C -1.389 175.125 176.870 -0.593 0.000 1.089 189 L CA -0.311 54.312 54.840 -0.360 0.000 0.833 189 L CB 0.255 42.177 42.059 -0.228 0.000 1.170 189 L HN 0.461 8.435 8.230 -0.426 0.000 0.442 190 M N 3.605 123.019 119.600 -0.310 0.000 2.520 190 M HA 0.433 4.738 4.480 -0.292 0.000 0.283 190 M C -2.357 173.904 176.300 -0.064 0.000 1.237 190 M CA -1.141 54.035 55.300 -0.207 0.000 0.885 190 M CB 4.458 37.063 32.600 0.010 0.000 1.727 190 M HN 0.311 8.493 8.290 -0.181 0.000 0.468 191 E N 2.652 122.847 120.200 -0.009 0.000 2.373 191 E HA -0.004 4.446 4.350 -0.062 -0.137 0.267 191 E C 1.257 177.900 176.600 0.071 0.000 1.032 191 E CA 0.512 56.915 56.400 0.006 0.000 0.889 191 E CB 0.731 30.462 29.700 0.050 0.000 0.984 191 E HN 0.618 8.984 8.360 0.010 0.000 0.425 192 S N 4.169 119.877 115.700 0.013 0.000 2.402 192 S HA -0.303 4.204 4.470 0.062 0.000 0.229 192 S C 1.708 176.384 174.600 0.128 0.000 1.021 192 S CA 3.635 61.862 58.200 0.045 0.000 0.974 192 S CB 0.174 63.360 63.200 -0.023 0.000 0.800 192 S HN 0.414 8.694 8.310 -0.049 0.000 0.484 193 T N -1.120 113.525 114.554 0.151 0.000 2.867 193 T HA -0.210 4.262 4.350 0.204 0.000 0.268 193 T C 1.662 176.705 174.700 0.572 0.000 1.057 193 T CA 2.889 65.163 62.100 0.291 0.000 1.136 193 T CB -0.460 68.559 68.868 0.251 0.000 0.874 193 T HN 0.039 8.334 8.240 0.092 0.000 0.466 194 T N 4.831 119.677 114.554 0.486 0.000 2.812 194 T HA -0.236 4.407 4.350 0.488 0.000 0.264 194 T C 1.492 176.423 174.700 0.384 0.000 1.042 194 T CA 4.785 67.160 62.100 0.458 0.000 1.140 194 T CB -0.115 68.995 68.868 0.403 0.000 0.870 194 T HN -0.757 7.727 8.240 0.406 0.000 0.445 195 I N 1.956 122.704 120.570 0.297 0.000 2.194 195 I HA -0.532 3.784 4.170 0.243 0.000 0.246 195 I C 1.463 177.729 176.117 0.249 0.000 1.093 195 I CA 4.470 65.915 61.300 0.240 0.000 1.355 195 I CB -0.315 37.786 38.000 0.169 0.000 1.046 195 I HN -0.211 8.156 8.210 0.261 0.000 0.413 196 E N 0.180 120.558 120.200 0.296 0.000 2.058 196 E HA -0.392 4.085 4.350 0.211 0.000 0.194 196 E C 2.267 179.073 176.600 0.344 0.000 0.997 196 E CA 2.973 59.556 56.400 0.304 0.000 0.801 196 E CB -0.124 29.776 29.700 0.334 0.000 0.746 196 E HN -0.442 8.103 8.360 0.308 0.000 0.450 197 F N 0.125 120.246 119.950 0.286 0.000 2.102 197 F HA -0.271 4.424 4.527 0.017 -0.157 0.298 197 F C 2.209 178.029 175.800 0.033 0.000 1.105 197 F CA 3.327 61.342 58.000 0.026 0.000 1.239 197 F CB 0.330 39.149 39.000 -0.301 0.000 0.991 197 F HN -0.857 7.838 8.300 0.657 0.000 0.474 198 V N -2.227 117.808 119.914 0.202 0.000 2.427 198 V HA -0.545 3.622 4.120 0.079 0.000 0.248 198 V C 2.281 178.389 176.094 0.023 0.000 1.051 198 V CA 4.007 66.376 62.300 0.115 0.000 1.048 198 V CB -0.040 31.908 31.823 0.208 0.000 0.666 198 V HN -0.210 8.171 8.190 0.318 0.000 0.456 199 T N -2.819 111.768 114.554 0.055 0.000 3.023 199 T HA -0.214 4.158 4.350 0.036 0.000 0.266 199 T C 1.358 176.051 174.700 -0.012 0.000 1.093 199 T CA 2.590 64.712 62.100 0.036 0.000 1.129 199 T CB 0.111 69.019 68.868 0.066 0.000 0.899 199 T HN -0.194 8.104 8.240 0.096 0.000 0.491 200 Q N -0.030 119.737 119.800 -0.054 0.000 2.291 200 Q HA -0.147 4.165 4.340 -0.045 0.000 0.205 200 Q C 1.606 177.524 176.000 -0.137 0.000 0.970 200 Q CA 2.241 57.990 55.803 -0.090 0.000 0.876 200 Q CB 0.101 28.768 28.738 -0.119 0.000 0.935 200 Q HN -0.610 7.607 8.270 -0.056 0.020 0.455 201 R N -4.426 115.966 120.500 -0.180 0.000 2.437 201 R HA 0.067 4.322 4.340 -0.143 0.000 0.257 201 R C -0.476 175.778 176.300 -0.076 0.000 0.927 201 R CA 0.143 56.147 56.100 -0.160 0.000 1.078 201 R CB 1.348 31.491 30.300 -0.263 0.000 1.161 201 R HN -0.693 7.322 8.270 -0.189 0.142 0.529 202 N N -0.533 118.139 118.700 -0.045 0.000 2.648 202 N HA 0.294 5.025 4.740 -0.015 0.000 0.261 202 N C -0.858 174.647 175.510 -0.008 0.000 1.138 202 N CA -0.083 52.959 53.050 -0.014 0.000 0.804 202 N CB 2.734 41.227 38.487 0.011 0.000 1.237 202 N HN -0.494 7.859 8.380 -0.046 0.000 0.532 203 c N 1.231 119.823 118.600 -0.013 0.000 2.522 203 c HA 0.018 4.583 4.570 -0.008 0.000 0.271 203 c C 0.274 174.360 174.090 -0.007 0.000 1.425 203 c CA 0.919 57.242 56.329 -0.010 0.000 1.751 203 c CB -1.613 40.890 42.510 -0.013 0.000 1.775 203 c HN 0.661 8.882 8.230 -0.015 0.000 0.557 204 N N -1.599 117.095 118.700 -0.009 0.000 2.412 204 N HA -0.105 4.623 4.740 -0.019 0.000 0.184 204 N C -1.103 174.396 175.510 -0.018 0.000 1.101 204 N CA 0.699 53.739 53.050 -0.017 0.000 0.881 204 N CB -0.540 37.934 38.487 -0.022 0.000 0.969 204 N HN 0.267 8.598 8.380 -0.008 0.045 0.459 205 L N -1.766 119.459 121.223 0.004 0.000 2.352 205 L HA 0.634 5.120 4.340 0.008 -0.141 0.269 205 L C -0.382 176.512 176.870 0.040 0.000 1.034 205 L CA -0.795 54.060 54.840 0.025 0.000 0.806 205 L CB 1.985 44.079 42.059 0.057 0.000 1.244 205 L HN -0.513 7.675 8.230 0.008 0.047 0.447 206 T N -0.822 113.770 114.554 0.064 0.000 2.821 206 T HA 0.338 4.727 4.350 0.065 0.000 0.306 206 T C -2.221 172.540 174.700 0.102 0.000 1.313 206 T CA -1.889 60.254 62.100 0.072 0.000 1.012 206 T CB 2.576 71.476 68.868 0.054 0.000 1.298 206 T HN 0.438 8.725 8.240 0.079 0.000 0.502 207 Q N 3.692 123.544 119.800 0.088 0.000 2.293 207 Q HA 0.479 5.097 4.340 0.099 -0.219 0.251 207 Q C -0.527 175.519 176.000 0.077 0.000 0.930 207 Q CA -0.295 55.559 55.803 0.085 0.000 0.893 207 Q CB 1.293 30.071 28.738 0.066 0.000 1.215 207 Q HN 0.201 8.517 8.270 0.076 0.000 0.425 208 I N 5.916 126.531 120.570 0.075 0.000 2.362 208 I HA 0.121 4.331 4.170 0.065 0.000 0.289 208 I C -0.491 175.642 176.117 0.027 0.000 0.994 208 I CA -1.728 59.608 61.300 0.060 0.000 1.158 208 I CB -0.491 37.548 38.000 0.065 0.000 1.315 208 I HN 0.291 8.545 8.210 0.073 0.000 0.451 209 G N 5.424 114.238 108.800 0.022 0.000 2.645 209 G HA2 -0.357 3.610 3.960 0.011 0.000 0.239 209 G HA3 -0.357 3.608 3.960 0.007 0.000 0.239 209 G C -1.357 173.546 174.900 0.005 0.000 1.331 209 G CA 0.009 45.116 45.100 0.011 0.000 0.890 209 G HN 0.090 8.397 8.290 0.028 0.000 0.572 210 G N -2.127 106.671 108.800 -0.003 0.000 2.890 210 G HA2 0.208 4.160 3.960 -0.013 0.000 0.189 210 G HA3 0.208 4.158 3.960 -0.016 0.000 0.189 210 G C -1.631 173.246 174.900 -0.037 0.000 1.342 210 G CA -0.822 44.268 45.100 -0.016 0.000 1.026 210 G HN 0.047 8.337 8.290 -0.000 0.000 0.579 211 L N -1.563 119.625 121.223 -0.057 0.000 2.305 211 L HA 0.042 4.474 4.340 -0.112 -0.159 0.281 211 L C 0.773 177.572 176.870 -0.118 0.000 1.085 211 L CA 0.200 54.979 54.840 -0.101 0.000 0.813 211 L CB 0.766 42.755 42.059 -0.116 0.000 1.157 211 L HN -0.002 8.198 8.230 -0.051 0.000 0.436 212 I N 1.305 121.757 120.570 -0.196 0.000 2.716 212 I HA -0.102 4.003 4.170 -0.108 0.000 0.259 212 I C -0.041 175.876 176.117 -0.333 0.000 1.172 212 I CA 1.764 62.910 61.300 -0.256 0.000 1.478 212 I CB 0.861 38.592 38.000 -0.447 0.000 1.104 212 I HN 0.688 8.760 8.210 -0.230 0.000 0.439 213 D N -2.484 117.677 120.400 -0.398 0.000 2.812 213 D HA 0.128 4.624 4.640 -0.241 0.000 0.318 213 D C -2.045 174.097 176.300 -0.263 0.000 1.234 213 D CA -1.335 52.449 54.000 -0.360 0.000 0.989 213 D CB 1.741 42.171 40.800 -0.616 0.000 1.442 213 D HN -0.575 7.565 8.370 -0.384 0.000 0.537 214 S N -0.642 114.924 115.700 -0.223 0.000 2.614 214 S HA 0.632 5.130 4.470 -0.202 -0.149 0.288 214 S C -0.578 173.900 174.600 -0.203 0.000 1.137 214 S CA -1.121 56.964 58.200 -0.192 0.000 0.992 214 S CB 2.485 65.602 63.200 -0.139 0.000 1.026 214 S HN 0.046 8.229 8.310 -0.211 0.000 0.486 215 K N 2.147 122.403 120.400 -0.240 0.000 2.571 215 K HA 0.294 4.486 4.320 -0.215 0.000 0.289 215 K C -2.735 173.674 176.600 -0.319 0.000 1.028 215 K CA -1.371 54.765 56.287 -0.252 0.000 0.895 215 K CB 2.565 34.913 32.500 -0.252 0.000 1.534 215 K HN 0.603 8.697 8.250 -0.259 0.000 0.421 216 G N -2.919 105.682 108.800 -0.331 0.000 2.533 216 G HA2 0.636 4.447 3.960 -0.468 0.000 0.304 216 G HA3 0.636 4.402 3.960 -0.323 0.000 0.304 216 G C -2.240 172.417 174.900 -0.404 0.000 1.263 216 G CA -1.349 43.514 45.100 -0.394 0.000 0.964 216 G HN 0.063 8.172 8.290 -0.301 0.000 0.479 217 Y N -0.272 119.734 120.300 -0.491 0.000 2.313 217 Y HA 0.549 5.038 4.550 -0.422 -0.192 0.332 217 Y C -0.357 175.082 175.900 -0.769 0.000 1.071 217 Y CA -2.394 55.328 58.100 -0.630 0.000 1.169 217 Y CB 1.144 39.093 38.460 -0.852 0.000 1.192 217 Y HN -0.111 7.811 8.280 -0.597 0.000 0.487 218 G N -0.123 108.608 108.800 -0.115 0.000 2.605 218 G HA2 0.581 4.621 3.960 0.133 0.000 0.296 218 G HA3 0.581 4.669 3.960 0.214 0.000 0.296 218 G C -2.185 173.010 174.900 0.492 0.000 1.304 218 G CA -1.494 43.713 45.100 0.179 0.000 0.941 218 G HN -0.080 8.228 8.290 0.031 0.000 0.475 219 V N 0.992 121.191 119.914 0.475 0.000 2.508 219 V HA -0.139 4.284 4.120 0.278 -0.136 0.281 219 V C -0.005 176.168 176.094 0.131 0.000 1.041 219 V CA 0.631 63.100 62.300 0.281 0.000 1.016 219 V CB 0.544 32.468 31.823 0.167 0.000 0.984 219 V HN -0.004 8.461 8.190 0.458 0.000 0.478 220 G N 6.377 115.150 108.800 -0.044 0.000 2.395 220 G HA2 0.550 4.333 3.960 -0.567 0.000 0.283 220 G HA3 0.550 4.244 3.960 -0.444 0.000 0.283 220 G C -2.030 172.703 174.900 -0.279 0.000 1.178 220 G CA -1.240 43.646 45.100 -0.357 0.000 0.837 220 G HN 0.186 8.465 8.290 -0.018 0.000 0.518 221 T N -1.223 113.140 114.554 -0.318 0.000 2.896 221 T HA 0.732 4.934 4.350 -0.246 0.000 0.297 221 T C -2.439 172.092 174.700 -0.283 0.000 1.108 221 T CA -3.476 58.476 62.100 -0.246 0.000 1.004 221 T CB 1.912 70.694 68.868 -0.144 0.000 1.159 221 T HN 0.486 8.489 8.240 -0.396 0.000 0.499 222 P HA -0.025 4.228 4.420 -0.279 0.000 0.268 222 P C -0.665 176.525 177.300 -0.183 0.000 1.208 222 P CA 0.191 63.114 63.100 -0.295 0.000 0.777 222 P CB 0.576 31.944 31.700 -0.554 0.000 0.875 223 M N 4.563 124.087 119.600 -0.126 0.000 2.260 223 M HA -0.634 3.928 4.480 -0.090 -0.136 0.348 223 M C 1.158 177.441 176.300 -0.028 0.000 1.342 223 M CA 2.378 57.634 55.300 -0.074 0.000 1.040 223 M CB 0.097 32.664 32.600 -0.055 0.000 1.810 223 M HN 0.478 8.694 8.290 -0.124 0.000 0.453 224 G N 4.935 113.718 108.800 -0.028 0.000 2.176 224 G HA2 -0.475 3.479 3.960 -0.011 0.000 0.253 224 G HA3 -0.475 3.487 3.960 0.002 0.000 0.253 224 G C -0.778 174.112 174.900 -0.015 0.000 0.979 224 G CA -0.354 44.739 45.100 -0.011 0.000 0.641 224 G HN 0.598 9.218 8.290 -0.035 -0.351 0.530 225 S N 2.077 117.759 115.700 -0.031 0.000 2.549 225 S HA 0.202 4.666 4.470 -0.010 0.000 0.286 225 S C 0.513 175.099 174.600 -0.023 0.000 1.314 225 S CA -2.232 55.957 58.200 -0.018 0.000 1.062 225 S CB 0.906 64.098 63.200 -0.014 0.000 0.865 225 S HN -0.590 7.642 8.310 -0.050 0.048 0.498 226 P HA -0.011 4.350 4.420 -0.098 0.000 0.226 226 P C 0.382 177.567 177.300 -0.193 0.000 1.153 226 P CA 1.388 64.401 63.100 -0.145 0.000 0.777 226 P CB 0.116 31.685 31.700 -0.219 0.000 0.794 227 Y N -1.514 118.748 120.300 -0.064 0.000 2.352 227 Y HA -0.312 4.211 4.550 -0.046 0.000 0.292 227 Y C 1.821 177.696 175.900 -0.040 0.000 1.136 227 Y CA 3.184 61.243 58.100 -0.068 0.000 1.227 227 Y CB -0.572 37.803 38.460 -0.141 0.000 0.991 227 Y HN -0.405 7.865 8.280 0.039 0.033 0.545 228 R N -0.375 120.178 120.500 0.089 0.000 2.103 228 R HA -0.516 3.866 4.340 0.071 0.000 0.234 228 R C 1.522 177.864 176.300 0.069 0.000 1.132 228 R CA 4.613 60.751 56.100 0.064 0.000 0.925 228 R CB -0.302 30.016 30.300 0.030 0.000 0.842 228 R HN -0.838 7.442 8.270 0.062 0.027 0.430 229 D N -2.798 117.627 120.400 0.041 0.000 2.178 229 D HA -0.165 4.504 4.640 0.048 0.000 0.202 229 D C 2.325 178.653 176.300 0.047 0.000 0.974 229 D CA 3.179 57.202 54.000 0.038 0.000 0.841 229 D CB -0.758 40.051 40.800 0.016 0.000 0.953 229 D HN 0.189 8.573 8.370 0.022 0.000 0.478 230 K N -0.051 120.377 120.400 0.046 0.000 2.097 230 K HA -0.222 4.129 4.320 0.052 0.000 0.205 230 K C 2.554 179.223 176.600 0.115 0.000 1.050 230 K CA 3.240 59.568 56.287 0.068 0.000 0.938 230 K CB 0.065 32.598 32.500 0.055 0.000 0.718 230 K HN -0.912 7.357 8.250 0.031 0.000 0.442 231 I N -0.160 120.494 120.570 0.141 0.000 2.353 231 I HA -0.443 3.822 4.170 0.158 0.000 0.248 231 I C 1.555 177.748 176.117 0.126 0.000 1.119 231 I CA 3.884 65.272 61.300 0.146 0.000 1.417 231 I CB -0.167 37.921 38.000 0.146 0.000 1.078 231 I HN 0.040 8.335 8.210 0.142 0.000 0.421 232 T N 3.366 117.987 114.554 0.112 0.000 2.684 232 T HA -0.429 3.992 4.350 0.119 0.000 0.267 232 T C 1.778 176.530 174.700 0.087 0.000 1.036 232 T CA 5.572 67.734 62.100 0.102 0.000 1.148 232 T CB -0.142 68.776 68.868 0.083 0.000 0.863 232 T HN -0.351 7.952 8.240 0.105 0.000 0.436 233 L N -0.074 121.194 121.223 0.074 0.000 2.046 233 L HA -0.477 3.896 4.340 0.055 0.000 0.208 233 L C 1.630 178.540 176.870 0.067 0.000 1.077 233 L CA 3.409 58.286 54.840 0.061 0.000 0.747 233 L CB -0.607 41.483 42.059 0.050 0.000 0.896 233 L HN -0.508 7.765 8.230 0.072 0.000 0.432 234 A N -0.555 122.312 122.820 0.079 0.000 1.930 234 A HA -0.315 4.041 4.320 0.061 0.000 0.217 234 A C 2.066 179.694 177.584 0.073 0.000 1.175 234 A CA 3.067 55.148 52.037 0.073 0.000 0.627 234 A CB -0.914 18.136 19.000 0.084 0.000 0.815 234 A HN -0.376 7.827 8.150 0.089 0.000 0.443 235 I N -1.397 119.230 120.570 0.096 0.000 2.226 235 I HA -0.618 3.617 4.170 0.108 0.000 0.245 235 I C 1.675 177.853 176.117 0.102 0.000 1.100 235 I CA 4.499 65.868 61.300 0.116 0.000 1.374 235 I CB 0.030 38.135 38.000 0.175 0.000 1.057 235 I HN -0.129 8.144 8.210 0.105 0.000 0.413 236 L N -0.905 120.369 121.223 0.085 0.000 2.083 236 L HA -0.367 4.177 4.340 0.070 -0.162 0.209 236 L C 2.414 179.318 176.870 0.057 0.000 1.083 236 L CA 3.009 57.889 54.840 0.067 0.000 0.752 236 L CB -0.600 41.492 42.059 0.055 0.000 0.899 236 L HN -0.101 8.180 8.230 0.085 0.000 0.433 237 K N -0.159 120.272 120.400 0.053 0.000 2.057 237 K HA -0.286 4.058 4.320 0.039 0.000 0.206 237 K C 2.460 179.087 176.600 0.046 0.000 1.050 237 K CA 3.332 59.645 56.287 0.043 0.000 0.935 237 K CB -0.090 32.434 32.500 0.039 0.000 0.715 237 K HN -0.586 7.697 8.250 0.056 0.000 0.439 238 L N -1.847 119.408 121.223 0.052 0.000 2.042 238 L HA -0.341 4.026 4.340 0.045 0.000 0.210 238 L C 2.379 179.291 176.870 0.069 0.000 1.076 238 L CA 2.871 57.743 54.840 0.054 0.000 0.749 238 L CB -0.300 41.790 42.059 0.051 0.000 0.893 238 L HN -0.078 8.185 8.230 0.055 0.000 0.432 239 Q N -1.095 118.752 119.800 0.079 0.000 2.046 239 Q HA -0.393 4.007 4.340 0.101 0.000 0.200 239 Q C 2.457 178.492 176.000 0.059 0.000 0.975 239 Q CA 2.995 58.848 55.803 0.083 0.000 0.836 239 Q CB -0.295 28.493 28.738 0.084 0.000 0.896 239 Q HN -0.019 8.299 8.270 0.080 0.000 0.428 240 E N 0.041 120.269 120.200 0.046 0.000 2.160 240 E HA -0.273 4.092 4.350 0.026 0.000 0.195 240 E C 1.979 178.598 176.600 0.031 0.000 0.991 240 E CA 2.605 59.024 56.400 0.032 0.000 0.810 240 E CB -0.508 29.208 29.700 0.027 0.000 0.742 240 E HN -0.421 7.967 8.360 0.048 0.000 0.466 241 E N -2.085 118.138 120.200 0.038 0.000 2.502 241 E HA -0.088 4.280 4.350 0.030 0.000 0.194 241 E C 0.642 177.271 176.600 0.048 0.000 1.062 241 E CA -0.197 56.225 56.400 0.037 0.000 0.867 241 E CB 0.118 29.840 29.700 0.036 0.000 0.888 241 E HN -0.567 7.803 8.360 0.042 0.015 0.510 242 G N -1.587 107.249 108.800 0.060 0.000 2.184 242 G HA2 -0.477 3.537 3.960 0.091 0.000 0.264 242 G HA3 -0.477 3.531 3.960 0.081 0.000 0.264 242 G C 0.567 175.544 174.900 0.128 0.000 0.975 242 G CA 0.869 46.023 45.100 0.090 0.000 0.642 242 G HN 0.171 8.314 8.290 0.058 0.182 0.536 243 K N 0.541 120.999 120.400 0.096 0.000 2.148 243 K HA -0.235 4.136 4.320 0.084 0.000 0.204 243 K C 1.514 178.177 176.600 0.105 0.000 1.050 243 K CA 2.846 59.184 56.287 0.085 0.000 0.942 243 K CB -0.037 32.492 32.500 0.050 0.000 0.724 243 K HN -0.350 7.904 8.250 0.080 0.044 0.446 244 L N -2.763 118.543 121.223 0.138 0.000 2.093 244 L HA -0.320 4.111 4.340 0.152 0.000 0.208 244 L C 1.143 178.162 176.870 0.249 0.000 1.085 244 L CA 3.220 58.178 54.840 0.196 0.000 0.755 244 L CB -0.547 41.657 42.059 0.240 0.000 0.904 244 L HN -0.645 7.666 8.230 0.135 0.000 0.435 245 H N -0.588 118.557 119.070 0.124 0.000 2.389 245 H HA -0.300 4.314 4.556 0.097 0.000 0.299 245 H C 1.441 176.838 175.328 0.115 0.000 1.081 245 H CA 3.547 59.655 56.048 0.100 0.000 1.345 245 H CB 0.241 30.038 29.762 0.058 0.000 1.393 245 H HN -0.174 8.283 8.280 0.294 0.000 0.520 246 M N -1.306 118.334 119.600 0.066 0.000 2.175 246 M HA -0.353 4.093 4.480 -0.058 0.000 0.264 246 M C 2.392 178.724 176.300 0.054 0.000 1.063 246 M CA 3.944 59.255 55.300 0.017 0.000 1.119 246 M CB 0.184 32.827 32.600 0.072 0.000 1.377 246 M HN -0.598 7.789 8.290 0.162 0.000 0.415 247 M N -0.775 118.906 119.600 0.134 0.000 2.132 247 M HA -0.452 4.161 4.480 0.222 0.000 0.263 247 M C 1.881 178.494 176.300 0.521 0.000 1.065 247 M CA 4.332 59.782 55.300 0.250 0.000 1.122 247 M CB -0.193 32.438 32.600 0.051 0.000 1.365 247 M HN -0.264 8.020 8.290 0.130 0.084 0.411 248 K N -0.070 120.600 120.400 0.451 0.000 2.032 248 K HA -0.474 4.185 4.320 0.565 0.000 0.209 248 K C 1.781 178.558 176.600 0.294 0.000 1.048 248 K CA 3.934 60.415 56.287 0.323 0.000 0.927 248 K CB -0.188 32.236 32.500 -0.126 0.000 0.712 248 K HN -0.173 8.287 8.250 0.350 0.000 0.441 249 E N -2.037 118.186 120.200 0.038 0.000 2.077 249 E HA -0.341 4.040 4.350 0.051 0.000 0.193 249 E C 1.218 177.883 176.600 0.109 0.000 0.989 249 E CA 2.781 59.193 56.400 0.020 0.000 0.800 249 E CB -0.084 29.536 29.700 -0.133 0.000 0.746 249 E HN -0.487 7.817 8.360 -0.093 0.000 0.452 250 K N -2.511 117.931 120.400 0.071 0.000 2.032 250 K HA -0.220 4.016 4.320 -0.141 0.000 0.209 250 K C 1.465 177.953 176.600 -0.186 0.000 1.048 250 K CA 2.410 58.621 56.287 -0.126 0.000 0.927 250 K CB -0.033 32.312 32.500 -0.259 0.000 0.712 250 K HN -0.426 7.880 8.250 0.093 0.000 0.441 251 W N -4.616 116.867 121.300 0.305 0.000 2.863 251 W HA -0.005 4.734 4.660 0.132 0.000 0.258 251 W C 0.496 177.152 176.519 0.227 0.000 1.298 251 W CA 0.264 57.749 57.345 0.233 0.000 1.451 251 W CB 0.874 30.465 29.460 0.220 0.000 1.107 251 W HN -0.772 7.737 8.180 0.549 0.000 0.641 258 P HA 0.000 4.419 4.420 -0.002 0.000 0.216 258 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 258 P CB 0.000 31.697 31.700 -0.004 0.000 0.726