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 3g3g_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNRSLIVTTI LEEPYVLFKK SDKPLYGNDR FEGYCIDLLR ELSTILGFTY DATA SEQUENCE EIRLVEDGKY GAQDDVNGQW NGMVRELIDH KADLAVAPLA ITYVREKVID DATA SEQUENCE FSKPFMTLGI SILYRKGTPI DSADDLAKQT KIEYGAVEDG ATMTFFKRSK DATA SEQUENCE ISTYDKMWAF MSSRRQSVLV KSNEEGIQRV LTSDYAFLME STTIEFVTQR DATA SEQUENCE NcNLTQIGGL IDSKGYGVGT PMGSPYRDKI TIAILQLQEE GKLHMMKEKW DATA SEQUENCE WRXXXc 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 2 S HA 0.000 4.488 4.470 0.031 0.000 0.327 2 S C 0.000 174.622 174.600 0.036 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.214 63.200 0.023 0.000 0.593 3 N N 2.200 120.930 118.700 0.050 0.000 2.453 3 N HA -0.007 4.765 4.740 0.053 0.000 0.253 3 N C -0.480 175.066 175.510 0.059 0.000 1.252 3 N CA -0.183 52.904 53.050 0.061 0.000 0.917 3 N CB 0.654 39.194 38.487 0.089 0.000 1.117 3 N HN 0.071 8.484 8.380 0.054 0.000 0.442 4 R N 1.154 121.686 120.500 0.053 0.000 2.585 4 R HA -0.230 4.132 4.340 0.036 0.000 0.275 4 R C -0.450 175.882 176.300 0.053 0.000 1.018 4 R CA 0.072 56.198 56.100 0.043 0.000 1.072 4 R CB 0.692 31.013 30.300 0.035 0.000 0.953 4 R HN 0.213 8.514 8.270 0.052 0.000 0.419 5 S N 3.841 119.568 115.700 0.046 0.000 2.549 5 S HA -0.070 4.590 4.470 0.101 -0.130 0.279 5 S C -0.210 174.407 174.600 0.028 0.000 1.321 5 S CA -0.117 58.121 58.200 0.063 0.000 1.054 5 S CB 0.648 63.875 63.200 0.045 0.000 0.899 5 S HN 0.126 8.458 8.310 0.036 0.000 0.497 6 L N 3.519 124.748 121.223 0.011 0.000 2.416 6 L HA -0.100 4.297 4.340 -0.145 -0.144 0.272 6 L C -0.226 176.610 176.870 -0.058 0.000 1.161 6 L CA -0.019 54.745 54.840 -0.128 0.000 0.845 6 L CB 0.413 42.219 42.059 -0.422 0.000 1.119 6 L HN 0.228 8.502 8.230 0.072 0.000 0.464 7 I N 2.888 123.401 120.570 -0.095 0.000 2.325 7 I HA 0.193 4.505 4.170 -0.022 -0.155 0.291 7 I C -0.356 175.690 176.117 -0.119 0.000 1.019 7 I CA -2.462 58.799 61.300 -0.066 0.000 1.302 7 I CB -1.057 36.908 38.000 -0.058 0.000 1.401 7 I HN 0.394 8.888 8.210 -0.120 -0.357 0.485 8 V N 9.011 128.869 119.914 -0.094 0.000 2.334 8 V HA 0.424 4.636 4.120 -0.187 -0.204 0.281 8 V C -0.837 175.163 176.094 -0.156 0.000 1.016 8 V CA -1.501 60.709 62.300 -0.151 0.000 0.832 8 V CB 1.384 33.111 31.823 -0.159 0.000 0.999 8 V HN 0.580 8.743 8.190 -0.045 0.000 0.439 9 T N 8.866 123.323 114.554 -0.163 0.000 2.910 9 T HA 0.726 5.230 4.350 -0.158 -0.249 0.293 9 T C -0.677 173.903 174.700 -0.200 0.000 1.015 9 T CA -0.578 61.423 62.100 -0.164 0.000 1.094 9 T CB 0.882 69.667 68.868 -0.138 0.000 0.968 9 T HN 0.262 8.403 8.240 -0.166 0.000 0.521 10 T N 4.506 118.923 114.554 -0.229 0.000 2.665 10 T HA 0.360 4.569 4.350 -0.234 0.000 0.303 10 T C -2.656 171.881 174.700 -0.271 0.000 1.334 10 T CA -2.023 59.920 62.100 -0.261 0.000 1.011 10 T CB 1.784 70.460 68.868 -0.319 0.000 1.573 10 T HN -0.338 7.769 8.240 -0.222 0.000 0.492 11 I N -0.232 120.167 120.570 -0.285 0.000 2.827 11 I HA 0.228 4.254 4.170 -0.241 0.000 0.298 11 I C -2.583 173.405 176.117 -0.214 0.000 1.235 11 I CA -1.609 59.523 61.300 -0.279 0.000 1.021 11 I CB 4.027 41.749 38.000 -0.463 0.000 1.259 11 I HN 0.153 8.199 8.210 -0.273 0.000 0.427 12 L N 4.512 125.637 121.223 -0.163 0.000 2.410 12 L HA -0.073 4.304 4.340 -0.151 -0.128 0.273 12 L C -0.928 175.914 176.870 -0.047 0.000 1.144 12 L CA 0.292 55.060 54.840 -0.121 0.000 0.863 12 L CB 0.084 42.084 42.059 -0.098 0.000 1.140 12 L HN 0.191 8.332 8.230 -0.147 0.000 0.463 13 E N 3.804 123.986 120.200 -0.030 0.000 2.531 13 E HA 0.209 4.589 4.350 0.051 0.000 0.323 13 E C -2.558 174.032 176.600 -0.016 0.000 0.908 13 E CA -0.424 55.999 56.400 0.038 0.000 0.792 13 E CB 3.203 32.976 29.700 0.121 0.000 1.360 13 E HN 0.339 8.663 8.360 -0.061 0.000 0.394 14 E N 5.914 126.058 120.200 -0.093 0.000 2.373 14 E HA 0.071 4.225 4.350 -0.328 0.000 0.267 14 E C -1.261 174.960 176.600 -0.632 0.000 1.032 14 E CA -2.950 53.259 56.400 -0.318 0.000 0.889 14 E CB 0.974 30.525 29.700 -0.249 0.000 0.984 14 E HN 0.248 8.580 8.360 -0.047 0.000 0.425 15 P HA 0.281 4.294 4.420 -0.680 0.000 0.266 15 P C -0.628 176.195 177.300 -0.794 0.000 1.561 15 P CA -0.151 62.374 63.100 -0.958 0.000 1.089 15 P CB 0.277 31.216 31.700 -1.269 0.000 1.534 16 Y N 0.892 120.943 120.300 -0.416 0.000 2.206 16 Y HA -0.111 4.328 4.550 -0.185 0.000 0.292 16 Y C 0.089 175.797 175.900 -0.321 0.000 1.123 16 Y CA 4.664 62.611 58.100 -0.254 0.000 1.142 16 Y CB 0.976 39.371 38.460 -0.109 0.000 1.006 16 Y HN -0.357 7.701 8.280 -0.252 0.071 0.518 17 V N -3.583 116.251 119.914 -0.134 0.000 2.610 17 V HA 0.363 4.501 4.120 -0.210 -0.144 0.298 17 V C -1.927 174.074 176.094 -0.154 0.000 1.067 17 V CA -0.627 61.569 62.300 -0.173 0.000 0.894 17 V CB 2.273 33.991 31.823 -0.175 0.000 1.015 17 V HN -0.371 7.759 8.190 -0.100 0.000 0.432 18 L N 3.264 124.413 121.223 -0.123 0.000 2.376 18 L HA 0.460 4.744 4.340 -0.094 0.000 0.258 18 L C -1.438 175.422 176.870 -0.017 0.000 1.013 18 L CA -1.264 53.533 54.840 -0.072 0.000 0.822 18 L CB 4.167 46.213 42.059 -0.023 0.000 1.388 18 L HN 0.428 8.590 8.230 -0.113 0.000 0.413 19 F N 1.280 121.254 119.950 0.039 0.000 2.456 19 F HA 0.236 4.833 4.527 -0.157 -0.164 0.358 19 F C 0.489 176.265 175.800 -0.041 0.000 1.095 19 F CA 0.197 58.153 58.000 -0.073 0.000 1.216 19 F CB 0.896 39.828 39.000 -0.113 0.000 1.125 19 F HN 0.180 8.521 8.300 0.068 0.000 0.549 20 K N 3.639 124.135 120.400 0.160 0.000 2.485 20 K HA -0.245 4.303 4.320 0.123 -0.154 0.277 20 K C 0.197 176.836 176.600 0.065 0.000 0.990 20 K CA 0.801 57.151 56.287 0.104 0.000 0.994 20 K CB 0.544 33.085 32.500 0.069 0.000 0.906 20 K HN -0.218 8.113 8.250 0.136 0.000 0.488 21 K N 2.792 123.228 120.400 0.060 0.000 2.312 21 K HA 0.055 4.382 4.320 0.012 0.000 0.287 21 K C -0.500 176.103 176.600 0.004 0.000 1.062 21 K CA 0.685 56.988 56.287 0.026 0.000 0.934 21 K CB 0.392 32.915 32.500 0.038 0.000 1.027 21 K HN 0.329 8.625 8.250 0.077 0.000 0.478 22 S N 2.440 118.125 115.700 -0.025 0.000 2.533 22 S HA 0.177 4.637 4.470 -0.017 0.000 0.271 22 S C -0.496 174.077 174.600 -0.046 0.000 1.143 22 S CA -1.200 56.981 58.200 -0.032 0.000 0.891 22 S CB 1.161 64.332 63.200 -0.047 0.000 1.105 22 S HN 0.279 8.565 8.310 -0.040 0.000 0.468 23 D N 2.532 122.912 120.400 -0.033 0.000 2.271 23 D HA 0.026 4.640 4.640 -0.042 0.000 0.206 23 D C 0.095 176.368 176.300 -0.044 0.000 0.967 23 D CA 1.042 55.021 54.000 -0.036 0.000 0.867 23 D CB 0.418 41.205 40.800 -0.022 0.000 0.960 23 D HN 0.141 8.497 8.370 -0.023 0.000 0.509 24 K N 1.797 122.175 120.400 -0.038 0.000 2.368 24 K HA 0.218 4.523 4.320 -0.026 0.000 0.282 24 K C -2.518 174.031 176.600 -0.084 0.000 1.035 24 K CA -2.166 54.099 56.287 -0.037 0.000 0.973 24 K CB 0.861 33.352 32.500 -0.014 0.000 0.957 24 K HN -0.484 7.748 8.250 -0.030 0.000 0.474 25 P HA -0.063 4.192 4.420 -0.275 0.000 0.267 25 P C -1.369 175.716 177.300 -0.358 0.000 1.205 25 P CA 0.102 63.055 63.100 -0.246 0.000 0.765 25 P CB 0.481 32.061 31.700 -0.201 0.000 0.828 26 L N 1.628 122.559 121.223 -0.487 0.000 2.334 26 L HA 0.211 4.405 4.340 -0.244 0.000 0.270 26 L C -0.973 175.484 176.870 -0.688 0.000 1.018 26 L CA -0.977 53.612 54.840 -0.418 0.000 0.811 26 L CB 2.392 44.319 42.059 -0.220 0.000 1.271 26 L HN -0.203 7.747 8.230 -0.466 0.000 0.443 27 Y N -1.235 119.039 120.300 -0.044 0.000 2.545 27 Y HA 0.083 4.613 4.550 -0.035 0.000 0.348 27 Y C 0.446 176.349 175.900 0.006 0.000 1.002 27 Y CA -0.698 57.387 58.100 -0.025 0.000 1.039 27 Y CB 3.324 41.775 38.460 -0.015 0.000 1.271 27 Y HN 0.047 8.356 8.280 0.047 0.000 0.467 28 G N 2.066 110.978 108.800 0.186 0.000 2.564 28 G HA2 -0.443 3.630 3.960 0.187 0.000 0.273 28 G HA3 -0.443 3.610 3.960 0.154 0.000 0.273 28 G C 0.783 175.814 174.900 0.218 0.000 1.242 28 G CA 0.896 46.103 45.100 0.178 0.000 0.951 28 G HN 0.131 8.538 8.290 0.195 0.000 0.564 29 N N 2.810 121.639 118.700 0.214 0.000 2.364 29 N HA -0.236 4.801 4.740 0.495 0.000 0.183 29 N C 1.556 177.229 175.510 0.271 0.000 1.022 29 N CA 2.227 55.462 53.050 0.307 0.000 0.883 29 N CB -0.490 38.101 38.487 0.174 0.000 0.965 29 N HN 0.313 8.782 8.380 0.149 0.000 0.438 30 D N 0.605 121.092 120.400 0.145 0.000 2.350 30 D HA -0.168 4.541 4.640 0.114 0.000 0.216 30 D C 1.289 177.609 176.300 0.034 0.000 0.968 30 D CA 1.638 55.696 54.000 0.096 0.000 0.894 30 D CB -0.213 40.632 40.800 0.075 0.000 0.909 30 D HN -0.567 7.841 8.370 0.127 0.038 0.520 31 R N -2.317 118.141 120.500 -0.071 0.000 2.189 31 R HA -0.251 3.984 4.340 -0.175 0.000 0.223 31 R C -0.141 176.018 176.300 -0.235 0.000 1.092 31 R CA 2.579 58.525 56.100 -0.257 0.000 0.989 31 R CB 0.450 30.431 30.300 -0.532 0.000 0.876 31 R HN -0.643 7.551 8.270 -0.049 0.046 0.457 32 F N -3.885 116.136 119.950 0.118 0.000 2.470 32 F HA 0.703 5.426 4.527 0.014 -0.188 0.329 32 F C -1.002 174.809 175.800 0.017 0.000 1.072 32 F CA -1.455 56.562 58.000 0.029 0.000 0.989 32 F CB 3.107 42.084 39.000 -0.038 0.000 1.193 32 F HN -0.819 7.545 8.300 0.184 0.046 0.481 33 E N -2.588 117.708 120.200 0.159 0.000 2.449 33 E HA 0.346 4.737 4.350 0.068 0.000 0.278 33 E C -2.125 174.305 176.600 -0.284 0.000 0.992 33 E CA -1.976 54.447 56.400 0.038 0.000 0.807 33 E CB 3.686 33.502 29.700 0.193 0.000 1.350 33 E HN 0.284 8.725 8.360 0.136 0.000 0.462 34 G N -2.655 105.687 108.800 -0.763 0.000 2.353 34 G HA2 -0.206 1.886 3.960 -3.114 0.000 0.424 34 G HA3 -0.206 3.265 3.960 -1.044 -0.138 0.424 34 G C -1.379 172.674 174.900 -1.412 0.000 1.320 34 G CA -0.426 43.672 45.100 -1.670 0.000 0.995 34 G HN -0.271 7.696 8.290 -0.538 0.000 0.580 35 Y N 0.851 120.231 120.300 -1.533 0.000 2.114 35 Y HA -0.335 3.903 4.550 -0.521 0.000 0.282 35 Y C 1.233 176.974 175.900 -0.264 0.000 1.165 35 Y CA 4.127 61.851 58.100 -0.626 0.000 1.148 35 Y CB 0.686 39.036 38.460 -0.183 0.000 0.972 35 Y HN -0.219 7.278 8.280 -1.305 0.000 0.504 36 C N -3.628 115.695 119.300 0.037 0.000 2.432 36 C HA -0.409 3.989 4.460 -0.104 0.000 0.280 36 C C 1.481 176.346 174.990 -0.209 0.000 1.353 36 C CA 4.372 63.354 59.018 -0.060 0.000 1.766 36 C CB -0.422 27.334 27.740 0.027 0.000 1.924 36 C HN -0.289 7.890 8.230 0.089 0.105 0.509 37 I N 0.911 121.349 120.570 -0.219 0.000 2.286 37 I HA -0.383 3.689 4.170 -0.164 0.000 0.245 37 I C 1.761 177.803 176.117 -0.126 0.000 1.104 37 I CA 2.183 63.388 61.300 -0.159 0.000 1.397 37 I CB -1.012 36.930 38.000 -0.096 0.000 1.072 37 I HN -0.815 7.241 8.210 -0.256 0.000 0.417 38 D N -0.036 120.283 120.400 -0.134 0.000 2.117 38 D HA -0.271 4.360 4.640 -0.014 0.000 0.197 38 D C 2.442 178.633 176.300 -0.182 0.000 0.987 38 D CA 3.441 57.393 54.000 -0.080 0.000 0.829 38 D CB -0.275 40.540 40.800 0.025 0.000 0.961 38 D HN -0.214 8.049 8.370 -0.179 0.000 0.460 39 L N 0.699 121.729 121.223 -0.322 0.000 2.017 39 L HA -0.244 3.910 4.340 -0.309 0.000 0.208 39 L C 1.527 178.248 176.870 -0.249 0.000 1.073 39 L CA 2.869 57.505 54.840 -0.340 0.000 0.745 39 L CB -0.208 41.550 42.059 -0.502 0.000 0.894 39 L HN -0.276 7.720 8.230 -0.390 0.000 0.432 40 L N -1.430 119.635 121.223 -0.263 0.000 2.012 40 L HA -0.443 3.744 4.340 -0.256 0.000 0.210 40 L C 1.730 178.418 176.870 -0.303 0.000 1.073 40 L CA 3.311 57.968 54.840 -0.305 0.000 0.748 40 L CB -0.770 41.045 42.059 -0.407 0.000 0.891 40 L HN -0.208 7.859 8.230 -0.271 0.000 0.431 41 R N -1.689 118.703 120.500 -0.180 0.000 2.081 41 R HA -0.297 4.048 4.340 0.008 0.000 0.235 41 R C 2.896 179.135 176.300 -0.103 0.000 1.131 41 R CA 2.300 58.364 56.100 -0.061 0.000 0.960 41 R CB -1.068 29.245 30.300 0.023 0.000 0.856 41 R HN -0.265 7.916 8.270 -0.149 0.000 0.436 42 E N -0.045 120.089 120.200 -0.111 0.000 2.072 42 E HA -0.230 4.075 4.350 -0.076 0.000 0.191 42 E C 2.533 179.062 176.600 -0.118 0.000 0.985 42 E CA 2.425 58.768 56.400 -0.095 0.000 0.801 42 E CB -0.327 29.323 29.700 -0.082 0.000 0.750 42 E HN -0.564 7.726 8.360 -0.116 0.000 0.452 43 L N -1.780 119.365 121.223 -0.130 0.000 2.042 43 L HA -0.391 3.929 4.340 -0.034 0.000 0.210 43 L C 2.336 179.015 176.870 -0.319 0.000 1.076 43 L CA 3.191 57.977 54.840 -0.091 0.000 0.749 43 L CB -0.522 41.562 42.059 0.042 0.000 0.893 43 L HN 0.066 8.215 8.230 -0.136 0.000 0.432 44 S N -0.912 114.407 115.700 -0.635 0.000 2.382 44 S HA -0.306 2.683 4.470 -2.469 0.000 0.228 44 S C 2.399 176.670 174.600 -0.548 0.000 1.027 44 S CA 3.506 60.997 58.200 -1.182 0.000 0.991 44 S CB -0.613 62.179 63.200 -0.681 0.000 0.823 44 S HN 0.080 8.109 8.310 -0.468 0.000 0.469 45 T N -0.912 113.481 114.554 -0.269 0.000 2.896 45 T HA -0.174 4.094 4.350 -0.137 0.000 0.263 45 T C 1.479 176.118 174.700 -0.102 0.000 1.050 45 T CA 2.648 64.661 62.100 -0.145 0.000 1.140 45 T CB 0.323 69.141 68.868 -0.084 0.000 0.877 45 T HN -0.589 7.515 8.240 -0.226 0.000 0.457 46 I N 0.120 120.637 120.570 -0.088 0.000 2.179 46 I HA -0.357 3.803 4.170 -0.017 0.000 0.242 46 I C 1.420 177.539 176.117 0.003 0.000 1.088 46 I CA 2.709 63.993 61.300 -0.026 0.000 1.357 46 I CB 0.350 38.348 38.000 -0.003 0.000 1.051 46 I HN -0.416 7.731 8.210 -0.106 0.000 0.409 47 L N -5.632 115.599 121.223 0.012 0.000 2.477 47 L HA 0.082 4.502 4.340 0.133 0.000 0.220 47 L C 0.474 177.429 176.870 0.141 0.000 1.106 47 L CA 0.028 54.952 54.840 0.140 0.000 0.851 47 L CB 0.742 43.024 42.059 0.372 0.000 0.994 47 L HN -0.384 7.816 8.230 -0.050 0.000 0.462 48 G N -1.317 107.479 108.800 -0.006 0.000 2.368 48 G HA2 -0.299 3.680 3.960 -0.035 0.000 0.290 48 G HA3 -0.299 3.698 3.960 0.062 0.000 0.290 48 G C -0.672 174.318 174.900 0.150 0.000 1.098 48 G CA 0.119 45.235 45.100 0.026 0.000 1.073 48 G HN -0.489 7.730 8.290 -0.118 0.000 0.511 49 F N -2.322 117.690 119.950 0.103 0.000 2.603 49 F HA 0.559 5.144 4.527 0.096 0.000 0.317 49 F C -1.809 174.065 175.800 0.125 0.000 1.066 49 F CA -3.002 55.062 58.000 0.107 0.000 0.941 49 F CB 2.244 41.303 39.000 0.098 0.000 1.291 49 F HN -0.789 7.279 8.300 -0.386 0.000 0.472 50 T N -3.461 111.307 114.554 0.357 0.000 2.936 50 T HA 0.402 4.835 4.350 0.138 0.000 0.282 50 T C -1.835 173.101 174.700 0.394 0.000 1.003 50 T CA -1.863 60.371 62.100 0.224 0.000 1.005 50 T CB 2.188 71.082 68.868 0.042 0.000 1.097 50 T HN 0.115 8.549 8.240 0.324 0.000 0.532 51 Y N -4.805 115.591 120.300 0.160 0.000 2.656 51 Y HA 0.789 5.636 4.550 0.075 -0.252 0.334 51 Y C -2.266 173.669 175.900 0.059 0.000 1.179 51 Y CA -1.785 56.385 58.100 0.116 0.000 1.050 51 Y CB 3.161 41.734 38.460 0.188 0.000 1.308 51 Y HN -0.120 7.967 8.280 -0.322 0.000 0.456 52 E N 1.076 121.389 120.200 0.187 0.000 2.241 52 E HA 0.396 4.974 4.350 0.100 -0.168 0.263 52 E C -1.219 175.459 176.600 0.131 0.000 0.882 52 E CA -1.847 54.626 56.400 0.121 0.000 0.769 52 E CB 4.341 34.079 29.700 0.063 0.000 1.185 52 E HN 0.234 8.711 8.360 0.195 0.000 0.415 53 I N 7.013 127.663 120.570 0.134 0.000 2.441 53 I HA 0.120 4.417 4.170 -0.078 -0.173 0.287 53 I C -0.141 175.947 176.117 -0.048 0.000 1.049 53 I CA 0.621 61.896 61.300 -0.043 0.000 1.381 53 I CB 0.230 38.085 38.000 -0.241 0.000 1.409 53 I HN 0.215 8.860 8.210 0.179 -0.328 0.523 54 R N 7.134 127.570 120.500 -0.107 0.000 2.502 54 R HA 0.357 4.716 4.340 0.031 0.000 0.300 54 R C -1.506 174.732 176.300 -0.103 0.000 0.984 54 R CA -1.865 54.208 56.100 -0.044 0.000 0.882 54 R CB 3.024 33.314 30.300 -0.016 0.000 1.180 54 R HN 0.443 8.625 8.270 -0.146 0.000 0.444 55 L N 4.142 125.332 121.223 -0.055 0.000 2.455 55 L HA -0.011 4.400 4.340 -0.161 -0.168 0.272 55 L C 0.646 177.479 176.870 -0.061 0.000 1.174 55 L CA -0.169 54.623 54.840 -0.081 0.000 0.869 55 L CB 0.526 42.588 42.059 0.005 0.000 1.130 55 L HN 0.403 8.654 8.230 0.034 0.000 0.474 56 V N 3.518 123.372 119.914 -0.101 0.000 2.644 56 V HA -0.402 3.944 4.120 -0.072 -0.270 0.305 56 V C 0.581 176.651 176.094 -0.040 0.000 1.053 56 V CA 1.287 63.538 62.300 -0.082 0.000 1.186 56 V CB 1.220 32.971 31.823 -0.120 0.000 0.895 56 V HN 0.233 8.339 8.190 -0.139 0.000 0.490 57 E N 9.639 129.828 120.200 -0.018 0.000 2.106 57 E HA -0.320 4.036 4.350 0.011 0.000 0.192 57 E C 0.243 176.848 176.600 0.008 0.000 0.984 57 E CA 2.485 58.887 56.400 0.003 0.000 0.806 57 E CB 0.203 29.909 29.700 0.009 0.000 0.750 57 E HN 0.056 8.696 8.360 -0.020 -0.292 0.458 58 D N -4.813 115.591 120.400 0.005 0.000 2.339 58 D HA -0.034 4.619 4.640 0.021 0.000 0.217 58 D C 0.808 177.116 176.300 0.013 0.000 1.050 58 D CA -0.809 53.200 54.000 0.017 0.000 0.856 58 D CB -0.849 39.968 40.800 0.029 0.000 0.922 58 D HN -0.231 8.139 8.370 0.000 0.000 0.518 59 G N -0.473 108.319 108.800 -0.012 0.000 2.153 59 G HA2 -0.441 3.488 3.960 -0.052 0.000 0.252 59 G HA3 -0.441 3.520 3.960 0.001 0.000 0.252 59 G C -0.530 174.351 174.900 -0.033 0.000 0.994 59 G CA 0.824 45.909 45.100 -0.025 0.000 0.698 59 G HN -0.444 7.677 8.290 -0.024 0.155 0.521 60 K N -1.729 118.652 120.400 -0.032 0.000 2.281 60 K HA 0.355 4.720 4.320 0.076 0.000 0.242 60 K C -0.678 175.894 176.600 -0.047 0.000 0.971 60 K CA -2.230 54.074 56.287 0.028 0.000 0.834 60 K CB 2.597 35.154 32.500 0.094 0.000 1.181 60 K HN -0.785 7.649 8.250 -0.033 -0.203 0.435 61 Y N -0.320 120.019 120.300 0.066 0.000 2.138 61 Y HA -0.183 4.389 4.550 0.036 0.000 0.286 61 Y C 0.250 176.214 175.900 0.106 0.000 1.115 61 Y CA 2.802 60.941 58.100 0.066 0.000 1.105 61 Y CB 1.100 39.602 38.460 0.071 0.000 1.004 61 Y HN 0.375 8.888 8.280 0.388 0.000 0.494 62 G N -6.843 102.151 108.800 0.324 0.000 2.220 62 G HA2 -0.124 4.307 3.960 0.293 0.000 0.232 62 G HA3 -0.124 4.082 3.960 0.358 -0.032 0.232 62 G C -3.081 172.065 174.900 0.410 0.000 1.680 62 G CA -0.020 45.285 45.100 0.342 0.000 0.922 62 G HN -0.545 7.952 8.290 0.345 0.000 0.723 63 A N 3.147 126.135 122.820 0.281 0.000 2.594 63 A HA 0.486 4.796 4.320 -0.015 0.000 0.291 63 A C -2.427 174.889 177.584 -0.448 0.000 1.105 63 A CA -0.897 51.120 52.037 -0.034 0.000 0.694 63 A CB 3.841 22.828 19.000 -0.022 0.000 1.291 63 A HN 0.324 8.911 8.150 0.235 -0.296 0.410 64 Q N 0.336 119.554 119.800 -0.971 0.000 2.257 64 Q HA 0.079 3.939 4.340 -1.090 -0.174 0.255 64 Q C -0.871 174.849 176.000 -0.467 0.000 0.920 64 Q CA -1.130 54.046 55.803 -1.046 0.000 0.927 64 Q CB 1.996 29.898 28.738 -1.392 0.000 1.229 64 Q HN 0.329 8.051 8.270 -0.914 0.000 0.433 65 D N 6.431 126.642 120.400 -0.316 0.000 2.390 65 D HA -0.062 4.504 4.640 -0.124 0.000 0.249 65 D C 0.480 176.696 176.300 -0.140 0.000 1.144 65 D CA 0.774 54.678 54.000 -0.160 0.000 0.880 65 D CB 1.896 42.637 40.800 -0.097 0.000 1.182 65 D HN -0.030 8.145 8.370 -0.326 0.000 0.451 66 D N 6.168 126.515 120.400 -0.088 0.000 2.123 66 D HA -0.212 4.384 4.640 -0.072 0.000 0.196 66 D C 1.063 177.339 176.300 -0.040 0.000 0.992 66 D CA 2.672 56.638 54.000 -0.057 0.000 0.833 66 D CB 0.102 40.893 40.800 -0.016 0.000 0.954 66 D HN 0.233 8.562 8.370 -0.068 0.000 0.455 67 V N -0.213 119.683 119.914 -0.030 0.000 2.331 67 V HA -0.231 3.882 4.120 -0.012 0.000 0.242 67 V C 0.898 176.980 176.094 -0.020 0.000 1.034 67 V CA 2.000 64.290 62.300 -0.017 0.000 1.027 67 V CB 0.717 32.535 31.823 -0.007 0.000 0.667 67 V HN -0.287 8.112 8.190 -0.030 -0.227 0.457 68 N N -1.803 116.881 118.700 -0.027 0.000 2.236 68 N HA 0.019 4.752 4.740 -0.011 0.000 0.196 68 N C 0.833 176.328 175.510 -0.026 0.000 1.114 68 N CA -0.319 52.720 53.050 -0.019 0.000 0.859 68 N CB 0.744 39.226 38.487 -0.009 0.000 0.982 68 N HN -0.324 8.304 8.380 -0.033 -0.268 0.493 69 G N -0.060 108.704 108.800 -0.060 0.000 2.184 69 G HA2 -0.508 3.451 3.960 -0.114 0.000 0.264 69 G HA3 -0.508 3.432 3.960 -0.033 0.000 0.264 69 G C -0.669 174.177 174.900 -0.090 0.000 0.975 69 G CA 0.471 45.526 45.100 -0.076 0.000 0.642 69 G HN -0.351 7.893 8.290 -0.077 0.000 0.536 70 Q N -0.417 119.340 119.800 -0.072 0.000 2.259 70 Q HA 0.097 4.490 4.340 0.088 0.000 0.249 70 Q C -0.506 175.446 176.000 -0.080 0.000 0.914 70 Q CA -0.798 55.006 55.803 0.003 0.000 0.904 70 Q CB 1.374 30.131 28.738 0.031 0.000 1.213 70 Q HN -0.303 8.179 8.270 -0.068 -0.253 0.428 71 W N 1.182 122.490 121.300 0.013 0.000 2.253 71 W HA 0.356 5.220 4.660 0.021 -0.191 0.348 71 W C 0.067 176.597 176.519 0.018 0.000 1.229 71 W CA -0.193 57.162 57.345 0.016 0.000 1.335 71 W CB 1.857 31.323 29.460 0.009 0.000 1.165 71 W HN 0.328 8.746 8.180 0.397 0.000 0.631 72 N N -2.883 115.993 118.700 0.294 0.000 3.167 72 N HA 0.140 4.972 4.740 0.154 0.000 0.323 72 N C -0.031 175.590 175.510 0.185 0.000 1.478 72 N CA -1.754 51.405 53.050 0.181 0.000 0.753 72 N CB 1.913 40.467 38.487 0.112 0.000 1.721 72 N HN -0.251 8.337 8.380 0.348 0.000 0.618 73 G N -2.277 106.589 108.800 0.109 0.000 2.601 73 G HA2 -0.453 3.807 3.960 0.035 0.000 0.252 73 G HA3 -0.453 3.722 3.960 0.101 -0.155 0.252 73 G C 0.383 175.301 174.900 0.029 0.000 1.294 73 G CA 0.524 45.666 45.100 0.070 0.000 0.912 73 G HN 0.036 8.799 8.290 0.087 -0.421 0.574 74 M N 1.813 121.406 119.600 -0.011 0.000 2.213 74 M HA -0.438 3.998 4.480 -0.073 0.000 0.263 74 M C 2.203 178.464 176.300 -0.065 0.000 1.062 74 M CA 4.283 59.548 55.300 -0.058 0.000 1.105 74 M CB 0.094 32.640 32.600 -0.090 0.000 1.385 74 M HN -0.453 7.827 8.290 -0.016 0.000 0.417 75 V N -0.605 119.294 119.914 -0.026 0.000 2.295 75 V HA -0.577 3.411 4.120 -0.219 0.000 0.246 75 V C 1.529 177.546 176.094 -0.128 0.000 1.049 75 V CA 4.203 66.422 62.300 -0.136 0.000 1.024 75 V CB -0.375 31.361 31.823 -0.145 0.000 0.648 75 V HN -0.534 7.668 8.190 0.043 0.014 0.447 76 R N -0.939 119.574 120.500 0.022 0.000 2.096 76 R HA -0.335 4.024 4.340 0.031 0.000 0.235 76 R C 1.791 178.088 176.300 -0.004 0.000 1.127 76 R CA 2.662 58.790 56.100 0.047 0.000 0.968 76 R CB -0.721 29.661 30.300 0.137 0.000 0.861 76 R HN -0.585 7.743 8.270 0.097 0.000 0.440 77 E N -0.209 119.976 120.200 -0.024 0.000 2.110 77 E HA -0.333 4.007 4.350 -0.016 0.000 0.193 77 E C 2.533 179.092 176.600 -0.069 0.000 0.988 77 E CA 3.088 59.465 56.400 -0.039 0.000 0.804 77 E CB -0.293 29.375 29.700 -0.054 0.000 0.745 77 E HN -0.588 7.759 8.360 -0.022 0.000 0.458 78 L N -0.840 120.311 121.223 -0.121 0.000 2.027 78 L HA -0.225 4.000 4.340 -0.192 0.000 0.206 78 L C 3.075 179.874 176.870 -0.118 0.000 1.074 78 L CA 2.904 57.640 54.840 -0.174 0.000 0.745 78 L CB 0.002 41.913 42.059 -0.245 0.000 0.898 78 L HN -0.435 7.716 8.230 -0.132 0.000 0.433 79 I N -0.663 119.845 120.570 -0.105 0.000 2.194 79 I HA -0.452 3.687 4.170 -0.051 0.000 0.246 79 I C 1.569 177.735 176.117 0.083 0.000 1.093 79 I CA 3.570 64.843 61.300 -0.044 0.000 1.355 79 I CB -0.084 37.864 38.000 -0.086 0.000 1.046 79 I HN -0.195 7.933 8.210 -0.137 0.000 0.413 80 D N -3.866 116.573 120.400 0.064 0.000 2.328 80 D HA 0.155 4.833 4.640 0.062 0.000 0.226 80 D C -0.779 175.615 176.300 0.156 0.000 1.066 80 D CA 0.132 54.181 54.000 0.080 0.000 0.861 80 D CB -0.411 40.414 40.800 0.042 0.000 0.912 80 D HN -0.526 7.847 8.370 0.026 0.013 0.521 81 H N -4.546 114.490 119.070 -0.055 0.000 2.791 81 H HA -0.329 4.187 4.556 -0.065 0.000 0.302 81 H C 0.099 175.399 175.328 -0.047 0.000 1.198 81 H CA 1.132 57.148 56.048 -0.053 0.000 1.145 81 H CB -2.821 26.916 29.762 -0.041 0.000 1.385 81 H HN -0.158 8.062 8.280 0.201 0.181 0.409 82 K N -3.871 116.549 120.400 0.034 0.000 2.400 82 K HA -0.014 4.314 4.320 0.014 0.000 0.194 82 K C -1.467 175.109 176.600 -0.039 0.000 1.033 82 K CA 0.691 56.979 56.287 0.001 0.000 1.021 82 K CB 0.840 33.339 32.500 -0.002 0.000 0.808 82 K HN -0.262 7.975 8.250 0.022 0.026 0.505 83 A N -3.612 119.158 122.820 -0.083 0.000 2.539 83 A HA 0.198 4.454 4.320 -0.107 0.000 0.296 83 A C -2.104 175.368 177.584 -0.186 0.000 1.073 83 A CA -0.968 50.994 52.037 -0.124 0.000 0.700 83 A CB 2.636 21.555 19.000 -0.134 0.000 1.296 83 A HN -0.869 7.190 8.150 -0.095 0.034 0.405 84 D N -0.019 120.254 120.400 -0.212 0.000 2.183 84 D HA 0.060 4.534 4.640 -0.278 0.000 0.205 84 D C -0.293 175.817 176.300 -0.317 0.000 0.962 84 D CA 3.112 56.943 54.000 -0.282 0.000 0.849 84 D CB 1.971 42.572 40.800 -0.331 0.000 0.978 84 D HN -0.030 8.224 8.370 -0.195 0.000 0.488 85 L N -3.904 117.139 121.223 -0.300 0.000 2.376 85 L HA 0.690 5.054 4.340 -0.262 -0.180 0.258 85 L C -2.634 174.105 176.870 -0.219 0.000 1.013 85 L CA -1.574 53.099 54.840 -0.278 0.000 0.822 85 L CB 5.276 47.136 42.059 -0.332 0.000 1.388 85 L HN -0.679 7.387 8.230 -0.275 0.000 0.413 86 A N 0.482 123.193 122.820 -0.183 0.000 2.291 86 A HA 0.829 5.268 4.320 -0.160 -0.215 0.311 86 A C -1.478 176.047 177.584 -0.098 0.000 1.224 86 A CA -1.722 50.227 52.037 -0.146 0.000 0.821 86 A CB 1.919 20.838 19.000 -0.135 0.000 1.172 86 A HN 0.548 8.591 8.150 -0.178 0.000 0.494 87 V N 4.736 124.576 119.914 -0.122 0.000 2.304 87 V HA 0.336 4.441 4.120 -0.025 0.000 0.278 87 V C -2.032 174.002 176.094 -0.101 0.000 1.018 87 V CA -0.750 61.490 62.300 -0.099 0.000 0.814 87 V CB 0.304 32.023 31.823 -0.173 0.000 1.021 87 V HN -0.146 7.949 8.190 -0.158 0.000 0.440 88 A N 5.987 128.797 122.820 -0.016 0.000 2.540 88 A HA 0.385 4.643 4.320 -0.103 0.000 0.291 88 A C -2.889 174.620 177.584 -0.124 0.000 1.083 88 A CA -1.406 50.583 52.037 -0.081 0.000 0.650 88 A CB 1.740 20.668 19.000 -0.119 0.000 1.292 88 A HN 0.173 8.374 8.150 0.086 0.000 0.435 89 P HA 0.005 3.447 4.420 -1.629 0.000 0.237 89 P C -2.303 174.517 177.300 -0.800 0.000 1.788 89 P CA -0.112 62.203 63.100 -1.309 0.000 1.061 89 P CB -1.912 28.771 31.700 -1.694 0.000 1.967 90 L N 3.496 124.537 121.223 -0.303 0.000 2.262 90 L HA 0.144 4.572 4.340 0.147 0.000 0.288 90 L C -2.042 174.935 176.870 0.179 0.000 1.035 90 L CA -1.534 53.359 54.840 0.088 0.000 0.820 90 L CB 1.971 44.160 42.059 0.217 0.000 1.204 90 L HN -0.440 7.628 8.230 -0.215 0.033 0.424 91 A N 6.966 129.892 122.820 0.176 0.000 2.440 91 A HA 0.203 4.756 4.320 0.094 -0.177 0.251 91 A C -0.019 177.450 177.584 -0.191 0.000 1.089 91 A CA -0.853 51.220 52.037 0.059 0.000 0.779 91 A CB 0.485 19.498 19.000 0.023 0.000 1.022 91 A HN 0.401 8.636 8.150 0.141 0.000 0.492 92 I N 4.611 124.864 120.570 -0.527 0.000 2.436 92 I HA -0.062 2.904 4.170 -2.006 0.000 0.289 92 I C -0.662 175.184 176.117 -0.452 0.000 1.083 92 I CA 0.912 61.587 61.300 -1.042 0.000 1.372 92 I CB -0.597 36.889 38.000 -0.857 0.000 1.408 92 I HN -0.003 7.958 8.210 -0.415 0.000 0.516 93 T N 4.633 119.029 114.554 -0.264 0.000 2.901 93 T HA 0.345 4.673 4.350 -0.035 0.000 0.293 93 T C 0.358 175.096 174.700 0.063 0.000 1.084 93 T CA -2.895 59.188 62.100 -0.027 0.000 1.008 93 T CB 2.759 71.670 68.868 0.071 0.000 1.170 93 T HN -0.337 7.742 8.240 -0.269 0.000 0.509 94 Y N 3.518 123.824 120.300 0.010 0.000 2.081 94 Y HA -0.420 4.143 4.550 0.022 0.000 0.280 94 Y C 0.851 176.804 175.900 0.088 0.000 1.163 94 Y CA 3.442 61.563 58.100 0.035 0.000 1.135 94 Y CB -0.669 37.806 38.460 0.024 0.000 0.970 94 Y HN 0.373 8.807 8.280 0.256 0.000 0.498 95 V N -6.074 113.859 119.914 0.032 0.000 2.515 95 V HA -0.349 3.637 4.120 -0.224 0.000 0.250 95 V C 1.526 177.681 176.094 0.101 0.000 1.058 95 V CA 2.592 64.911 62.300 0.031 0.000 1.064 95 V CB -0.459 31.528 31.823 0.274 0.000 0.675 95 V HN -0.412 7.908 8.190 0.217 0.000 0.461 96 R N -0.448 120.124 120.500 0.120 0.000 2.090 96 R HA -0.229 3.930 4.340 -0.303 0.000 0.228 96 R C 1.860 178.166 176.300 0.010 0.000 1.110 96 R CA 3.297 59.394 56.100 -0.004 0.000 0.973 96 R CB -0.003 30.432 30.300 0.225 0.000 0.869 96 R HN -0.741 7.627 8.270 0.164 0.000 0.440 97 E N -1.061 119.205 120.200 0.109 0.000 2.268 97 E HA -0.174 4.440 4.350 0.219 -0.132 0.195 97 E C 1.284 177.858 176.600 -0.043 0.000 0.995 97 E CA 1.716 58.182 56.400 0.110 0.000 0.836 97 E CB -0.397 29.359 29.700 0.093 0.000 0.763 97 E HN -0.396 8.015 8.360 0.086 0.000 0.491 98 K N -3.233 117.089 120.400 -0.129 0.000 2.365 98 K HA -0.183 4.069 4.320 -0.112 0.000 0.199 98 K C 1.161 177.689 176.600 -0.121 0.000 1.045 98 K CA 2.214 58.420 56.287 -0.135 0.000 0.962 98 K CB 0.423 32.812 32.500 -0.185 0.000 0.759 98 K HN -0.661 7.467 8.250 -0.159 0.026 0.469 99 V N -8.483 111.314 119.914 -0.195 0.000 3.539 99 V HA 0.220 4.236 4.120 -0.173 0.000 0.262 99 V C -1.087 174.829 176.094 -0.297 0.000 1.381 99 V CA -0.094 62.047 62.300 -0.264 0.000 1.060 99 V CB 2.566 34.116 31.823 -0.454 0.000 0.842 99 V HN -0.486 7.417 8.190 -0.226 0.151 0.445 100 I N -5.162 115.217 120.570 -0.318 0.000 3.108 100 I HA 0.314 4.315 4.170 -0.282 0.000 0.312 100 I C -2.388 173.564 176.117 -0.274 0.000 1.095 100 I CA -2.233 58.860 61.300 -0.344 0.000 1.000 100 I CB 3.017 40.714 38.000 -0.505 0.000 1.229 100 I HN -0.390 7.639 8.210 -0.302 0.000 0.454 101 D N -0.643 119.589 120.400 -0.280 0.000 2.217 101 D HA 0.618 5.384 4.640 -0.055 -0.159 0.248 101 D C -0.858 175.278 176.300 -0.273 0.000 1.008 101 D CA -1.560 52.347 54.000 -0.156 0.000 0.914 101 D CB 3.612 44.365 40.800 -0.080 0.000 1.182 101 D HN -0.138 8.055 8.370 -0.295 0.000 0.451 102 F N -1.154 118.775 119.950 -0.036 0.000 2.551 102 F HA 0.617 5.334 4.527 -0.010 -0.196 0.316 102 F C 0.383 176.190 175.800 0.012 0.000 1.089 102 F CA -1.483 56.509 58.000 -0.012 0.000 0.915 102 F CB 4.533 43.524 39.000 -0.014 0.000 1.186 102 F HN -0.448 8.182 8.300 0.290 -0.156 0.456 103 S N 2.537 118.384 115.700 0.244 0.000 2.587 103 S HA 0.078 4.634 4.470 0.143 0.000 0.260 103 S C 0.624 175.320 174.600 0.160 0.000 1.353 103 S CA -0.315 57.995 58.200 0.183 0.000 0.995 103 S CB 0.908 64.225 63.200 0.194 0.000 0.912 103 S HN 0.452 8.906 8.310 0.240 0.000 0.568 104 K N 0.585 121.053 120.400 0.113 0.000 2.286 104 K HA 0.004 4.344 4.320 0.035 0.000 0.256 104 K C -1.375 175.269 176.600 0.072 0.000 0.999 104 K CA -0.402 55.924 56.287 0.066 0.000 0.908 104 K CB -0.955 31.578 32.500 0.054 0.000 0.981 104 K HN -0.112 8.203 8.250 0.108 0.000 0.500 105 P HA 0.074 4.618 4.420 -0.148 -0.212 0.271 105 P C -0.795 176.532 177.300 0.045 0.000 1.216 105 P CA -0.306 62.748 63.100 -0.078 0.000 0.776 105 P CB 0.430 32.039 31.700 -0.152 0.000 0.881 106 F N -1.486 118.536 119.950 0.121 0.000 2.746 106 F HA 0.316 4.926 4.527 0.137 0.000 0.297 106 F C -0.875 175.022 175.800 0.162 0.000 1.113 106 F CA -0.827 57.273 58.000 0.167 0.000 1.367 106 F CB 1.070 40.215 39.000 0.242 0.000 1.111 106 F HN -0.127 7.947 8.300 -0.376 0.000 0.590 107 M N -0.995 118.540 119.600 -0.109 0.000 2.534 107 M HA 0.258 4.722 4.480 -0.027 0.000 0.280 107 M C -2.471 173.648 176.300 -0.303 0.000 1.217 107 M CA 0.145 55.379 55.300 -0.110 0.000 0.893 107 M CB 3.864 36.463 32.600 -0.003 0.000 1.730 107 M HN -0.868 7.198 8.290 -0.372 0.000 0.483 108 T N 3.509 117.906 114.554 -0.261 0.000 2.887 108 T HA 0.857 5.145 4.350 -0.359 -0.152 0.288 108 T C -1.278 173.233 174.700 -0.316 0.000 1.021 108 T CA -1.673 60.250 62.100 -0.296 0.000 1.000 108 T CB 0.889 69.643 68.868 -0.189 0.000 1.034 108 T HN -0.020 8.100 8.240 -0.199 0.000 0.467 109 L N 0.142 121.157 121.223 -0.346 0.000 2.963 109 L HA 0.756 4.956 4.340 -0.235 0.000 0.273 109 L C -2.821 173.886 176.870 -0.271 0.000 1.078 109 L CA -1.003 53.651 54.840 -0.309 0.000 0.970 109 L CB 2.284 44.084 42.059 -0.431 0.000 1.564 109 L HN 0.304 8.327 8.230 -0.345 0.000 0.381 110 G N -4.080 104.583 108.800 -0.229 0.000 2.660 110 G HA2 0.665 4.530 3.960 -0.284 0.000 0.290 110 G HA3 0.665 4.647 3.960 -0.231 -0.160 0.290 110 G C -2.262 172.503 174.900 -0.225 0.000 1.432 110 G CA -0.526 44.427 45.100 -0.245 0.000 0.807 110 G HN -0.355 7.820 8.290 -0.192 0.000 0.485 111 I N -0.521 119.872 120.570 -0.295 0.000 2.648 111 I HA -0.133 4.038 4.170 -0.188 -0.114 0.284 111 I C -1.400 174.610 176.117 -0.178 0.000 1.153 111 I CA 1.991 63.141 61.300 -0.250 0.000 1.426 111 I CB 0.128 37.905 38.000 -0.371 0.000 1.381 111 I HN 0.241 8.572 8.210 -0.386 -0.352 0.571 112 S N 3.809 119.447 115.700 -0.103 0.000 2.880 112 S HA 0.544 4.972 4.470 -0.069 0.000 0.308 112 S C -1.910 172.667 174.600 -0.037 0.000 1.195 112 S CA -2.475 55.689 58.200 -0.060 0.000 0.866 112 S CB 2.890 66.070 63.200 -0.033 0.000 1.254 112 S HN 0.498 8.755 8.310 -0.089 0.000 0.571 113 I N 0.022 120.587 120.570 -0.007 0.000 2.465 113 I HA 0.354 4.674 4.170 -0.021 -0.162 0.291 113 I C -1.816 174.348 176.117 0.078 0.000 1.014 113 I CA -0.838 60.464 61.300 0.003 0.000 1.093 113 I CB 3.045 41.023 38.000 -0.036 0.000 1.267 113 I HN -0.116 8.096 8.210 0.003 0.000 0.431 114 L N 8.034 129.344 121.223 0.145 0.000 2.282 114 L HA 0.671 5.287 4.340 0.195 -0.159 0.288 114 L C -2.478 174.579 176.870 0.310 0.000 1.033 114 L CA -1.384 53.593 54.840 0.228 0.000 0.807 114 L CB 2.514 44.751 42.059 0.297 0.000 1.209 114 L HN 0.489 8.805 8.230 0.144 0.000 0.423 115 Y N 6.700 127.059 120.300 0.099 0.000 2.705 115 Y HA 0.377 4.993 4.550 0.110 0.000 0.332 115 Y C -2.001 173.945 175.900 0.078 0.000 1.221 115 Y CA -2.014 56.138 58.100 0.088 0.000 1.059 115 Y CB 3.880 42.373 38.460 0.055 0.000 1.298 115 Y HN 0.430 8.874 8.280 0.273 0.000 0.459 116 R N 1.209 121.426 120.500 -0.471 0.000 2.594 116 R HA 0.020 4.386 4.340 -0.173 -0.130 0.272 116 R C 0.170 176.311 176.300 -0.265 0.000 1.074 116 R CA 0.343 56.225 56.100 -0.364 0.000 1.105 116 R CB 0.647 30.687 30.300 -0.434 0.000 1.008 116 R HN 0.423 8.087 8.270 -1.010 0.000 0.472 117 K N 2.366 122.697 120.400 -0.114 0.000 2.440 117 K HA -0.264 4.044 4.320 -0.019 0.000 0.270 117 K C 0.404 176.965 176.600 -0.066 0.000 0.980 117 K CA 1.134 57.389 56.287 -0.054 0.000 0.953 117 K CB 0.163 32.647 32.500 -0.027 0.000 0.925 117 K HN -0.085 8.114 8.250 -0.086 0.000 0.497 118 G N 1.569 110.359 108.800 -0.016 0.000 2.851 118 G HA2 -0.232 3.734 3.960 0.009 0.000 0.272 118 G HA3 -0.232 3.720 3.960 -0.014 0.000 0.272 118 G C -1.215 173.696 174.900 0.019 0.000 1.100 118 G CA 0.140 45.239 45.100 -0.003 0.000 1.197 118 G HN 0.558 8.850 8.290 0.004 0.000 0.561 119 T N 1.025 115.614 114.554 0.058 0.000 2.889 119 T HA 0.290 4.699 4.350 0.099 0.000 0.315 119 T C -1.935 172.817 174.700 0.086 0.000 1.291 119 T CA -3.145 59.020 62.100 0.109 0.000 1.028 119 T CB 1.185 70.205 68.868 0.254 0.000 1.235 119 T HN -0.645 7.629 8.240 0.057 0.000 0.491 120 P HA 0.232 4.676 4.420 0.040 0.000 0.251 120 P C -0.723 176.600 177.300 0.039 0.000 1.223 120 P CA 0.023 63.151 63.100 0.047 0.000 0.796 120 P CB 0.556 32.276 31.700 0.034 0.000 1.068 121 I N 1.462 122.065 120.570 0.055 0.000 2.587 121 I HA -0.351 3.809 4.170 -0.017 0.000 0.284 121 I C -0.736 175.388 176.117 0.012 0.000 1.134 121 I CA -0.145 61.159 61.300 0.006 0.000 1.410 121 I CB -1.352 36.620 38.000 -0.047 0.000 1.392 121 I HN -0.506 7.720 8.210 0.094 0.041 0.545 122 D N 4.908 125.303 120.400 -0.010 0.000 2.500 122 D HA 0.136 4.784 4.640 0.014 0.000 0.217 122 D C -1.245 175.049 176.300 -0.011 0.000 1.159 122 D CA -0.159 53.841 54.000 -0.000 0.000 0.828 122 D CB 2.507 43.309 40.800 0.002 0.000 1.039 122 D HN 0.033 8.673 8.370 -0.023 -0.283 0.512 123 S N -5.325 110.356 115.700 -0.032 0.000 2.615 123 S HA 0.204 4.666 4.470 -0.013 0.000 0.268 123 S C -0.189 174.377 174.600 -0.056 0.000 1.146 123 S CA -1.816 56.369 58.200 -0.026 0.000 0.818 123 S CB 2.432 65.623 63.200 -0.014 0.000 1.111 123 S HN -0.777 7.503 8.310 -0.050 0.000 0.465 124 A N 1.319 124.132 122.820 -0.011 0.000 1.933 124 A HA -0.399 3.859 4.320 -0.105 0.000 0.218 124 A C 1.151 178.702 177.584 -0.056 0.000 1.175 124 A CA 3.242 55.272 52.037 -0.011 0.000 0.628 124 A CB -0.163 18.968 19.000 0.219 0.000 0.814 124 A HN 0.666 8.834 8.150 0.029 0.000 0.444 125 D N -2.542 117.837 120.400 -0.034 0.000 2.123 125 D HA -0.327 4.271 4.640 -0.070 0.000 0.196 125 D C 1.333 177.583 176.300 -0.085 0.000 0.992 125 D CA 3.048 57.010 54.000 -0.064 0.000 0.833 125 D CB -0.178 40.590 40.800 -0.054 0.000 0.954 125 D HN -0.030 8.334 8.370 -0.010 0.000 0.455 126 D N -0.981 119.368 120.400 -0.085 0.000 2.144 126 D HA -0.193 4.403 4.640 -0.073 0.000 0.200 126 D C 2.535 178.750 176.300 -0.141 0.000 0.978 126 D CA 2.758 56.703 54.000 -0.091 0.000 0.833 126 D CB -0.156 40.600 40.800 -0.074 0.000 0.961 126 D HN -0.566 7.760 8.370 -0.074 0.000 0.470 127 L N -1.313 119.777 121.223 -0.222 0.000 2.046 127 L HA -0.256 3.913 4.340 -0.285 0.000 0.208 127 L C 2.118 178.782 176.870 -0.342 0.000 1.077 127 L CA 2.804 57.434 54.840 -0.350 0.000 0.747 127 L CB -0.069 41.604 42.059 -0.643 0.000 0.896 127 L HN -0.657 7.442 8.230 -0.218 0.000 0.432 128 A N -1.411 121.234 122.820 -0.291 0.000 2.019 128 A HA -0.202 4.005 4.320 -0.188 0.000 0.219 128 A C 1.770 179.302 177.584 -0.088 0.000 1.164 128 A CA 2.437 54.371 52.037 -0.171 0.000 0.644 128 A CB -0.430 18.521 19.000 -0.082 0.000 0.805 128 A HN 0.032 8.031 8.150 -0.250 0.000 0.449 129 K N -4.838 115.510 120.400 -0.088 0.000 2.525 129 K HA -0.169 4.129 4.320 -0.037 0.000 0.192 129 K C 0.011 176.582 176.600 -0.049 0.000 1.029 129 K CA 0.807 57.062 56.287 -0.053 0.000 1.029 129 K CB 0.121 32.592 32.500 -0.048 0.000 0.814 129 K HN -0.534 7.630 8.250 -0.104 0.024 0.503 130 Q N -2.975 116.781 119.800 -0.073 0.000 2.544 130 Q HA 0.238 4.555 4.340 -0.037 0.000 0.291 130 Q C -1.818 174.117 176.000 -0.109 0.000 1.068 130 Q CA -0.698 55.069 55.803 -0.061 0.000 0.785 130 Q CB 1.561 30.270 28.738 -0.049 0.000 1.481 130 Q HN -0.615 7.536 8.270 -0.097 0.061 0.430 131 T N -8.797 105.718 114.554 -0.065 0.000 3.087 131 T HA 0.201 4.386 4.350 -0.275 0.000 0.283 131 T C 0.636 175.360 174.700 0.041 0.000 0.956 131 T CA -0.717 61.344 62.100 -0.065 0.000 0.894 131 T CB 1.349 70.283 68.868 0.110 0.000 1.160 131 T HN -0.124 8.102 8.240 -0.022 0.000 0.532 132 K N 2.579 123.001 120.400 0.036 0.000 2.057 132 K HA -0.174 4.193 4.320 0.079 0.000 0.207 132 K C 0.260 176.913 176.600 0.087 0.000 1.049 132 K CA 2.157 58.483 56.287 0.066 0.000 0.931 132 K CB 0.217 32.749 32.500 0.054 0.000 0.714 132 K HN -0.365 7.953 8.250 0.018 -0.058 0.440 133 I N 0.413 121.019 120.570 0.061 0.000 2.337 133 I HA -0.094 4.301 4.170 0.140 -0.141 0.291 133 I C -0.546 175.618 176.117 0.079 0.000 1.046 133 I CA -0.036 61.314 61.300 0.082 0.000 1.324 133 I CB -0.002 37.993 38.000 -0.008 0.000 1.409 133 I HN -0.314 8.284 8.210 0.027 -0.372 0.494 134 E N 7.292 127.590 120.200 0.163 0.000 2.371 134 E HA -0.006 4.415 4.350 0.118 0.000 0.257 134 E C -1.497 175.121 176.600 0.030 0.000 1.134 134 E CA -0.208 56.302 56.400 0.184 0.000 0.919 134 E CB 1.812 31.725 29.700 0.355 0.000 1.025 134 E HN -0.144 8.345 8.360 0.214 0.000 0.438 135 Y N -5.688 114.616 120.300 0.007 0.000 2.609 135 Y HA 1.036 5.289 4.550 -0.845 -0.210 0.336 135 Y C -1.511 174.333 175.900 -0.093 0.000 1.129 135 Y CA -2.146 55.741 58.100 -0.355 0.000 1.040 135 Y CB 3.474 41.739 38.460 -0.325 0.000 1.310 135 Y HN -0.027 8.111 8.280 -0.237 0.000 0.460 136 G N -2.924 105.897 108.800 0.034 0.000 2.494 136 G HA2 0.458 4.512 3.960 0.158 0.000 0.308 136 G HA3 0.458 4.880 3.960 0.386 -0.231 0.308 136 G C -3.388 171.632 174.900 0.200 0.000 1.263 136 G CA 0.185 45.424 45.100 0.233 0.000 0.840 136 G HN -0.396 7.832 8.290 -0.103 0.000 0.479 137 A N -3.290 119.704 122.820 0.289 0.000 2.581 137 A HA 0.670 4.726 4.320 -0.440 0.000 0.290 137 A C -2.010 175.777 177.584 0.339 0.000 1.119 137 A CA -1.069 50.993 52.037 0.041 0.000 0.670 137 A CB 3.127 22.139 19.000 0.020 0.000 1.280 137 A HN -0.476 7.905 8.150 0.385 0.000 0.425 138 V N -0.053 120.022 119.914 0.269 0.000 2.529 138 V HA -0.155 4.355 4.120 0.371 -0.167 0.292 138 V C 0.026 176.260 176.094 0.233 0.000 1.028 138 V CA 0.656 63.137 62.300 0.303 0.000 1.074 138 V CB 0.152 32.123 31.823 0.247 0.000 0.958 138 V HN 0.549 8.810 8.190 0.119 0.000 0.481 139 E N 8.843 129.181 120.200 0.229 0.000 2.414 139 E HA -0.414 4.064 4.350 0.213 0.000 0.263 139 E C -0.423 176.289 176.600 0.186 0.000 1.000 139 E CA 1.542 58.062 56.400 0.200 0.000 0.914 139 E CB 0.506 30.307 29.700 0.169 0.000 0.948 139 E HN 0.079 8.577 8.360 0.231 0.000 0.444 140 D N 1.392 121.891 120.400 0.165 0.000 2.981 140 D HA -0.302 4.409 4.640 0.119 0.000 0.223 140 D C -1.042 175.371 176.300 0.188 0.000 1.151 140 D CA 1.780 55.870 54.000 0.152 0.000 0.827 140 D CB -1.013 39.871 40.800 0.140 0.000 1.101 140 D HN -0.065 8.403 8.370 0.163 0.000 0.426 141 G N -4.073 104.821 108.800 0.156 0.000 3.016 141 G HA2 0.359 4.418 3.960 0.165 0.000 0.270 141 G HA3 0.359 4.331 3.960 0.020 0.000 0.270 141 G C -1.181 173.765 174.900 0.077 0.000 1.352 141 G CA -1.433 43.730 45.100 0.105 0.000 1.060 141 G HN -0.961 7.380 8.290 0.145 0.036 0.538 142 A N -1.410 121.426 122.820 0.027 0.000 1.969 142 A HA -0.265 4.109 4.320 0.089 0.000 0.218 142 A C 2.128 179.749 177.584 0.061 0.000 1.169 142 A CA 3.341 55.407 52.037 0.050 0.000 0.635 142 A CB -0.576 18.433 19.000 0.015 0.000 0.810 142 A HN 0.600 8.726 8.150 -0.040 0.000 0.445 143 T N 1.949 116.528 114.554 0.043 0.000 2.737 143 T HA -0.413 3.999 4.350 0.104 0.000 0.265 143 T C 1.588 176.463 174.700 0.292 0.000 1.038 143 T CA 4.924 67.102 62.100 0.129 0.000 1.144 143 T CB -0.265 68.636 68.868 0.054 0.000 0.866 143 T HN -0.162 8.077 8.240 -0.001 0.000 0.434 144 M N 2.354 122.076 119.600 0.204 0.000 2.080 144 M HA -0.371 4.296 4.480 0.312 0.000 0.260 144 M C 1.509 177.812 176.300 0.005 0.000 1.068 144 M CA 3.274 58.691 55.300 0.195 0.000 1.109 144 M CB -0.803 31.901 32.600 0.174 0.000 1.342 144 M HN 0.022 8.401 8.290 0.147 0.000 0.405 145 T N 1.782 116.334 114.554 -0.003 0.000 2.746 145 T HA -0.442 3.777 4.350 -0.217 0.000 0.267 145 T C 1.726 176.360 174.700 -0.109 0.000 1.039 145 T CA 4.555 66.598 62.100 -0.095 0.000 1.142 145 T CB -0.305 68.562 68.868 -0.002 0.000 0.866 145 T HN -0.481 7.789 8.240 0.050 0.000 0.444 146 F N 3.219 123.080 119.950 -0.149 0.000 2.095 146 F HA -0.510 3.888 4.527 -0.215 0.000 0.298 146 F C 0.995 176.598 175.800 -0.328 0.000 1.104 146 F CA 3.900 61.750 58.000 -0.250 0.000 1.232 146 F CB 0.059 38.856 39.000 -0.337 0.000 0.987 146 F HN -0.281 8.130 8.300 0.185 0.000 0.475 147 F N -3.180 116.680 119.950 -0.149 0.000 2.146 147 F HA -0.446 3.953 4.527 -0.213 0.000 0.298 147 F C 2.666 178.168 175.800 -0.498 0.000 1.096 147 F CA 3.837 61.732 58.000 -0.174 0.000 1.275 147 F CB -0.147 38.992 39.000 0.231 0.000 1.008 147 F HN -0.510 7.945 8.300 0.258 0.000 0.480 148 K N -1.107 118.772 120.400 -0.867 0.000 2.097 148 K HA -0.325 2.442 4.320 -2.589 0.000 0.206 148 K C 1.505 177.705 176.600 -0.667 0.000 1.049 148 K CA 2.579 57.967 56.287 -1.498 0.000 0.933 148 K CB -0.061 31.599 32.500 -1.400 0.000 0.717 148 K HN -0.158 7.641 8.250 -0.752 0.000 0.442 149 R N -4.366 115.857 120.500 -0.462 0.000 2.276 149 R HA -0.038 4.156 4.340 -0.242 0.000 0.196 149 R C -0.021 176.091 176.300 -0.313 0.000 0.961 149 R CA 0.397 56.312 56.100 -0.310 0.000 1.024 149 R CB 0.425 30.580 30.300 -0.241 0.000 0.940 149 R HN -0.556 7.421 8.270 -0.471 0.011 0.480 150 S N -0.215 115.237 115.700 -0.414 0.000 2.548 150 S HA -0.031 4.183 4.470 -0.426 0.000 0.277 150 S C 0.028 174.531 174.600 -0.162 0.000 1.315 150 S CA 0.248 58.210 58.200 -0.396 0.000 1.050 150 S CB 0.834 63.703 63.200 -0.552 0.000 0.918 150 S HN -0.654 7.274 8.310 -0.460 0.106 0.497 151 K N 4.562 124.884 120.400 -0.131 0.000 2.358 151 K HA 0.068 4.362 4.320 -0.043 0.000 0.197 151 K C -0.179 176.388 176.600 -0.056 0.000 1.025 151 K CA -0.547 55.700 56.287 -0.067 0.000 1.104 151 K CB 0.289 32.749 32.500 -0.067 0.000 0.855 151 K HN 0.095 8.252 8.250 -0.156 0.000 0.531 152 I N 1.721 122.253 120.570 -0.063 0.000 2.556 152 I HA -0.174 3.943 4.170 -0.089 0.000 0.284 152 I C 0.960 177.004 176.117 -0.121 0.000 1.114 152 I CA 0.582 61.826 61.300 -0.093 0.000 1.418 152 I CB 0.544 38.493 38.000 -0.086 0.000 1.394 152 I HN -0.807 7.363 8.210 -0.067 0.000 0.552 153 S N 8.135 123.759 115.700 -0.126 0.000 2.359 153 S HA -0.346 4.402 4.470 -0.037 -0.301 0.223 153 S C 1.980 176.525 174.600 -0.092 0.000 1.039 153 S CA 3.862 62.012 58.200 -0.083 0.000 1.042 153 S CB -0.810 62.346 63.200 -0.073 0.000 0.915 153 S HN 0.591 8.825 8.310 -0.127 0.000 0.439 154 T N 2.652 117.070 114.554 -0.226 0.000 2.684 154 T HA -0.329 3.966 4.350 -0.091 0.000 0.267 154 T C 1.642 176.355 174.700 0.022 0.000 1.036 154 T CA 4.639 66.624 62.100 -0.192 0.000 1.148 154 T CB -0.184 68.454 68.868 -0.382 0.000 0.863 154 T HN 0.028 8.080 8.240 -0.313 0.000 0.436 155 Y N -0.703 119.686 120.300 0.147 0.000 2.263 155 Y HA -0.179 4.667 4.550 0.494 0.000 0.292 155 Y C 1.748 177.835 175.900 0.312 0.000 1.130 155 Y CA 0.159 58.425 58.100 0.275 0.000 1.179 155 Y CB -1.205 37.262 38.460 0.012 0.000 0.998 155 Y HN -0.652 7.384 8.280 -0.407 0.000 0.532 156 D N -0.839 119.726 120.400 0.274 0.000 2.178 156 D HA -0.334 4.514 4.640 0.346 0.000 0.202 156 D C 1.985 178.455 176.300 0.283 0.000 0.974 156 D CA 2.914 57.074 54.000 0.266 0.000 0.841 156 D CB -1.008 39.876 40.800 0.140 0.000 0.953 156 D HN 0.120 8.587 8.370 0.162 0.000 0.478 157 K N 0.283 120.812 120.400 0.214 0.000 2.026 157 K HA -0.318 4.100 4.320 0.163 0.000 0.208 157 K C 2.212 178.975 176.600 0.272 0.000 1.048 157 K CA 3.102 59.502 56.287 0.187 0.000 0.929 157 K CB -0.035 32.534 32.500 0.114 0.000 0.713 157 K HN -0.550 7.803 8.250 0.172 0.000 0.439 158 M N -0.697 119.113 119.600 0.351 0.000 2.117 158 M HA -0.350 4.433 4.480 0.505 0.000 0.262 158 M C 2.139 178.714 176.300 0.459 0.000 1.065 158 M CA 3.729 59.296 55.300 0.445 0.000 1.114 158 M CB 0.249 33.059 32.600 0.350 0.000 1.361 158 M HN -0.476 8.026 8.290 0.355 0.000 0.408 159 W N -0.373 121.122 121.300 0.324 0.000 2.358 159 W HA -0.476 4.309 4.660 0.208 0.000 0.303 159 W C 1.089 177.713 176.519 0.175 0.000 1.208 159 W CA 2.932 60.423 57.345 0.243 0.000 1.274 159 W CB 0.509 30.115 29.460 0.243 0.000 1.138 159 W HN -0.040 8.554 8.180 0.690 0.000 0.515 160 A N -0.423 122.409 122.820 0.019 0.000 1.908 160 A HA -0.342 3.828 4.320 -0.250 0.000 0.218 160 A C 2.010 179.496 177.584 -0.163 0.000 1.181 160 A CA 2.917 54.883 52.037 -0.118 0.000 0.627 160 A CB -1.023 18.006 19.000 0.050 0.000 0.818 160 A HN -0.219 8.060 8.150 0.215 0.000 0.445 161 F N 0.064 119.914 119.950 -0.166 0.000 2.113 161 F HA -0.249 4.163 4.527 -0.192 0.000 0.297 161 F C 2.115 177.706 175.800 -0.348 0.000 1.103 161 F CA 3.416 61.286 58.000 -0.217 0.000 1.248 161 F CB 0.442 39.340 39.000 -0.168 0.000 0.999 161 F HN -0.746 7.696 8.300 0.238 0.000 0.475 162 M N -0.858 118.605 119.600 -0.229 0.000 2.117 162 M HA -0.588 3.706 4.480 -0.309 0.000 0.262 162 M C 1.843 177.776 176.300 -0.610 0.000 1.065 162 M CA 4.122 59.199 55.300 -0.371 0.000 1.114 162 M CB 0.352 32.827 32.600 -0.209 0.000 1.361 162 M HN -0.170 8.093 8.290 -0.044 0.000 0.408 163 S N -1.460 113.651 115.700 -0.982 0.000 2.356 163 S HA -0.322 3.685 4.470 -0.770 0.000 0.223 163 S C 2.951 177.272 174.600 -0.465 0.000 1.032 163 S CA 2.956 60.644 58.200 -0.854 0.000 1.005 163 S CB -0.054 62.524 63.200 -1.037 0.000 0.867 163 S HN 0.166 7.767 8.310 -1.182 0.000 0.449 164 S N 4.179 119.614 115.700 -0.441 0.000 2.368 164 S HA -0.234 4.079 4.470 -0.261 0.000 0.225 164 S C 1.474 175.862 174.600 -0.354 0.000 1.030 164 S CA 2.763 60.760 58.200 -0.339 0.000 0.999 164 S CB -0.227 62.783 63.200 -0.318 0.000 0.844 164 S HN -0.331 7.694 8.310 -0.475 0.000 0.459 165 R N -0.156 120.058 120.500 -0.477 0.000 2.426 165 R HA 0.250 4.393 4.340 -0.330 0.000 0.263 165 R C 0.773 176.917 176.300 -0.260 0.000 0.961 165 R CA -0.712 55.140 56.100 -0.413 0.000 1.086 165 R CB -0.245 29.677 30.300 -0.630 0.000 1.186 165 R HN -0.505 7.413 8.270 -0.587 0.000 0.537 166 R N -0.567 119.798 120.500 -0.225 0.000 2.159 166 R HA -0.315 4.002 4.340 -0.114 -0.044 0.237 166 R C 1.733 177.998 176.300 -0.059 0.000 1.131 166 R CA 3.178 59.202 56.100 -0.126 0.000 0.982 166 R CB -0.745 29.489 30.300 -0.109 0.000 0.868 166 R HN -0.829 7.228 8.270 -0.249 0.064 0.453 167 Q N -2.166 117.592 119.800 -0.070 0.000 2.297 167 Q HA -0.159 4.169 4.340 -0.020 0.000 0.204 167 Q C 1.038 177.015 176.000 -0.038 0.000 0.962 167 Q CA 1.735 57.514 55.803 -0.040 0.000 0.879 167 Q CB -0.941 27.770 28.738 -0.045 0.000 0.947 167 Q HN 0.319 8.516 8.270 -0.092 0.017 0.462 168 S N -2.236 113.431 115.700 -0.056 0.000 2.468 168 S HA -0.047 4.392 4.470 -0.051 0.000 0.226 168 S C 2.099 176.687 174.600 -0.019 0.000 1.051 168 S CA 1.445 59.615 58.200 -0.050 0.000 0.943 168 S CB 0.487 63.650 63.200 -0.063 0.000 0.810 168 S HN -0.447 7.792 8.310 -0.079 0.023 0.509 169 V N -3.850 116.079 119.914 0.025 0.000 3.565 169 V HA 0.195 4.462 4.120 0.245 0.000 0.260 169 V C -1.589 174.653 176.094 0.246 0.000 1.231 169 V CA 0.245 62.661 62.300 0.193 0.000 1.100 169 V CB 0.980 32.921 31.823 0.195 0.000 0.807 169 V HN -0.398 7.780 8.190 -0.019 0.000 0.454 170 L N 0.309 121.622 121.223 0.150 0.000 2.292 170 L HA 0.363 5.057 4.340 0.281 -0.186 0.284 170 L C 0.029 177.002 176.870 0.171 0.000 1.065 170 L CA -0.296 54.665 54.840 0.201 0.000 0.806 170 L CB 0.648 42.809 42.059 0.170 0.000 1.175 170 L HN -0.743 7.538 8.230 0.084 0.000 0.431 171 V N -5.951 114.097 119.914 0.224 0.000 3.113 171 V HA 0.486 4.661 4.120 0.091 0.000 0.316 171 V C -0.486 175.707 176.094 0.166 0.000 1.125 171 V CA -3.378 59.011 62.300 0.149 0.000 1.026 171 V CB 3.268 35.153 31.823 0.104 0.000 1.080 171 V HN 0.079 8.452 8.190 0.305 0.000 0.444 172 K N -1.668 118.803 120.400 0.118 0.000 2.379 172 K HA 0.132 4.539 4.320 0.145 0.000 0.194 172 K C -0.585 176.110 176.600 0.158 0.000 1.031 172 K CA -0.594 55.771 56.287 0.129 0.000 1.037 172 K CB 0.813 33.365 32.500 0.087 0.000 0.824 172 K HN 0.194 9.156 8.250 0.083 -0.663 0.516 173 S N -6.276 109.522 115.700 0.162 0.000 2.588 173 S HA 0.152 4.770 4.470 0.246 0.000 0.269 173 S C -0.811 173.908 174.600 0.199 0.000 1.157 173 S CA -1.430 56.883 58.200 0.189 0.000 0.824 173 S CB 3.036 66.313 63.200 0.128 0.000 1.126 173 S HN -0.960 7.433 8.310 0.138 0.000 0.464 174 N N 1.579 120.430 118.700 0.251 0.000 2.120 174 N HA -0.360 4.644 4.740 0.439 0.000 0.188 174 N C 1.675 177.236 175.510 0.085 0.000 1.024 174 N CA 3.251 56.469 53.050 0.280 0.000 0.852 174 N CB -0.315 38.358 38.487 0.311 0.000 1.003 174 N HN 0.652 9.190 8.380 0.264 0.000 0.424 175 E N 0.360 120.606 120.200 0.076 0.000 2.110 175 E HA -0.386 3.988 4.350 0.040 0.000 0.193 175 E C 1.253 177.827 176.600 -0.044 0.000 0.988 175 E CA 3.123 59.541 56.400 0.030 0.000 0.804 175 E CB -0.638 29.092 29.700 0.049 0.000 0.745 175 E HN 0.313 8.735 8.360 0.102 0.000 0.458 176 E N -0.767 119.397 120.200 -0.060 0.000 2.106 176 E HA -0.268 4.026 4.350 -0.093 0.000 0.192 176 E C 2.309 178.752 176.600 -0.262 0.000 0.984 176 E CA 2.394 58.726 56.400 -0.112 0.000 0.806 176 E CB -0.234 29.428 29.700 -0.063 0.000 0.750 176 E HN -0.633 7.716 8.360 -0.019 0.000 0.458 177 G N -0.658 107.852 108.800 -0.484 0.000 2.418 177 G HA2 -0.265 3.163 3.960 -0.886 0.000 0.217 177 G HA3 -0.265 2.247 3.960 -2.414 0.000 0.217 177 G C 1.302 175.831 174.900 -0.617 0.000 1.158 177 G CA 1.957 46.381 45.100 -1.127 0.000 0.771 177 G HN -0.514 7.451 8.290 -0.405 0.082 0.545 178 I N 2.233 122.607 120.570 -0.326 0.000 2.226 178 I HA -0.619 3.545 4.170 -0.010 0.000 0.245 178 I C 1.790 177.872 176.117 -0.058 0.000 1.100 178 I CA 4.071 65.327 61.300 -0.075 0.000 1.374 178 I CB -0.135 37.872 38.000 0.013 0.000 1.057 178 I HN -0.156 7.881 8.210 -0.287 0.000 0.413 179 Q N -2.413 117.332 119.800 -0.093 0.000 2.170 179 Q HA -0.348 3.968 4.340 -0.040 0.000 0.203 179 Q C 2.695 178.636 176.000 -0.099 0.000 0.976 179 Q CA 2.647 58.406 55.803 -0.073 0.000 0.858 179 Q CB -0.704 27.991 28.738 -0.071 0.000 0.907 179 Q HN -0.306 7.897 8.270 -0.112 0.000 0.433 180 R N 0.836 121.222 120.500 -0.190 0.000 2.092 180 R HA -0.185 4.013 4.340 -0.235 0.000 0.231 180 R C 2.502 178.777 176.300 -0.041 0.000 1.119 180 R CA 2.260 58.193 56.100 -0.277 0.000 0.970 180 R CB -0.549 29.304 30.300 -0.745 0.000 0.864 180 R HN -0.483 7.558 8.270 -0.244 0.082 0.440 181 V N 0.102 120.100 119.914 0.140 0.000 2.407 181 V HA -0.439 4.098 4.120 0.419 -0.166 0.248 181 V C 1.903 178.071 176.094 0.124 0.000 1.055 181 V CA 3.948 66.410 62.300 0.269 0.000 1.049 181 V CB -0.030 31.955 31.823 0.271 0.000 0.662 181 V HN -0.394 7.848 8.190 0.087 0.000 0.455 182 L N -4.331 116.925 121.223 0.054 0.000 2.341 182 L HA -0.147 4.205 4.340 0.020 0.000 0.214 182 L C 1.593 178.471 176.870 0.013 0.000 1.115 182 L CA 2.468 57.322 54.840 0.023 0.000 0.820 182 L CB 0.077 42.142 42.059 0.010 0.000 0.944 182 L HN -0.580 7.564 8.230 0.035 0.107 0.452 183 T N -6.899 107.660 114.554 0.008 0.000 3.040 183 T HA 0.094 4.445 4.350 0.001 0.000 0.266 183 T C 0.002 174.709 174.700 0.011 0.000 1.005 183 T CA -0.242 61.856 62.100 -0.002 0.000 0.906 183 T CB 0.444 69.298 68.868 -0.024 0.000 1.082 183 T HN -0.357 7.853 8.240 0.004 0.033 0.531 184 S N 0.930 116.657 115.700 0.045 0.000 2.643 184 S HA 0.123 4.632 4.470 0.064 0.000 0.270 184 S C -1.760 172.940 174.600 0.166 0.000 1.166 184 S CA -0.908 57.339 58.200 0.080 0.000 0.815 184 S CB 2.317 65.546 63.200 0.048 0.000 1.139 184 S HN -0.661 7.688 8.310 0.064 0.000 0.472 185 D N 2.225 122.742 120.400 0.194 0.000 2.517 185 D HA 0.112 4.921 4.640 0.281 0.000 0.220 185 D C -1.977 174.552 176.300 0.382 0.000 1.158 185 D CA -0.106 54.054 54.000 0.268 0.000 0.992 185 D CB -1.040 39.882 40.800 0.203 0.000 1.058 185 D HN 0.249 8.715 8.370 0.161 0.000 0.516 186 Y N 4.514 124.996 120.300 0.303 0.000 2.479 186 Y HA 0.585 5.501 4.550 0.224 -0.231 0.338 186 Y C -2.833 173.291 175.900 0.373 0.000 1.055 186 Y CA -1.034 57.225 58.100 0.265 0.000 1.023 186 Y CB 3.763 42.331 38.460 0.180 0.000 1.287 186 Y HN -0.683 7.928 8.280 0.552 0.000 0.447 187 A N 6.530 129.241 122.820 -0.182 0.000 2.330 187 A HA 0.588 5.156 4.320 0.197 -0.130 0.327 187 A C -2.664 174.759 177.584 -0.269 0.000 1.155 187 A CA -2.398 49.562 52.037 -0.128 0.000 0.803 187 A CB 3.002 21.785 19.000 -0.362 0.000 1.208 187 A HN 0.672 8.615 8.150 -0.345 0.000 0.477 188 F N 3.693 123.565 119.950 -0.131 0.000 2.444 188 F HA 0.375 4.812 4.527 -0.149 0.000 0.342 188 F C -2.031 173.771 175.800 0.004 0.000 1.121 188 F CA -2.785 55.194 58.000 -0.035 0.000 0.997 188 F CB 3.716 42.838 39.000 0.203 0.000 1.130 188 F HN 0.296 8.762 8.300 0.277 0.000 0.454 189 L N 8.631 129.583 121.223 -0.453 0.000 2.325 189 L HA 0.431 4.831 4.340 -0.215 -0.189 0.284 189 L C -1.289 175.238 176.870 -0.571 0.000 1.089 189 L CA -0.238 54.381 54.840 -0.368 0.000 0.836 189 L CB -1.117 40.797 42.059 -0.243 0.000 1.184 189 L HN 0.422 8.373 8.230 -0.465 0.000 0.444 190 M N 3.369 122.790 119.600 -0.298 0.000 2.569 190 M HA 0.437 4.759 4.480 -0.264 0.000 0.279 190 M C -2.274 173.994 176.300 -0.055 0.000 1.253 190 M CA -0.945 54.237 55.300 -0.196 0.000 0.867 190 M CB 4.267 36.856 32.600 -0.017 0.000 1.727 190 M HN 0.274 8.460 8.290 -0.173 0.000 0.467 191 E N 1.792 121.990 120.200 -0.003 0.000 2.373 191 E HA 0.024 4.480 4.350 -0.060 -0.142 0.267 191 E C 1.418 178.058 176.600 0.067 0.000 1.032 191 E CA 0.341 56.744 56.400 0.005 0.000 0.889 191 E CB 0.768 30.494 29.700 0.045 0.000 0.984 191 E HN 0.589 8.960 8.360 0.018 0.000 0.425 192 S N 4.397 120.104 115.700 0.011 0.000 2.383 192 S HA -0.354 4.151 4.470 0.058 0.000 0.229 192 S C 1.666 176.340 174.600 0.123 0.000 1.030 192 S CA 3.627 61.851 58.200 0.040 0.000 1.002 192 S CB 0.186 63.370 63.200 -0.026 0.000 0.829 192 S HN 0.377 8.657 8.310 -0.050 0.000 0.467 193 T N -1.197 113.444 114.554 0.146 0.000 2.788 193 T HA -0.223 4.247 4.350 0.200 0.000 0.268 193 T C 1.778 176.822 174.700 0.573 0.000 1.044 193 T CA 2.905 65.180 62.100 0.292 0.000 1.139 193 T CB -0.395 68.631 68.868 0.263 0.000 0.867 193 T HN 0.038 8.331 8.240 0.088 0.000 0.454 194 T N 4.906 119.745 114.554 0.476 0.000 2.857 194 T HA -0.239 4.411 4.350 0.500 0.000 0.266 194 T C 1.506 176.437 174.700 0.385 0.000 1.048 194 T CA 4.656 67.026 62.100 0.449 0.000 1.139 194 T CB -0.136 68.950 68.868 0.364 0.000 0.874 194 T HN -0.779 7.695 8.240 0.390 0.000 0.455 195 I N 1.925 122.671 120.570 0.294 0.000 2.208 195 I HA -0.511 3.804 4.170 0.241 0.000 0.245 195 I C 1.531 177.797 176.117 0.248 0.000 1.097 195 I CA 4.443 65.886 61.300 0.239 0.000 1.363 195 I CB -0.316 37.786 38.000 0.170 0.000 1.051 195 I HN -0.289 8.075 8.210 0.257 0.000 0.413 196 E N 0.371 120.747 120.200 0.293 0.000 2.085 196 E HA -0.374 4.099 4.350 0.205 0.000 0.194 196 E C 2.278 179.084 176.600 0.343 0.000 0.994 196 E CA 2.983 59.562 56.400 0.297 0.000 0.801 196 E CB -0.115 29.766 29.700 0.303 0.000 0.743 196 E HN -0.420 8.124 8.360 0.306 0.000 0.453 197 F N 0.453 120.586 119.950 0.304 0.000 2.075 197 F HA -0.279 4.453 4.527 0.057 -0.170 0.297 197 F C 2.173 178.007 175.800 0.056 0.000 1.113 197 F CA 3.378 61.418 58.000 0.067 0.000 1.218 197 F CB 0.314 39.178 39.000 -0.226 0.000 0.984 197 F HN -0.836 7.867 8.300 0.672 0.000 0.472 198 V N -1.904 118.122 119.914 0.186 0.000 2.358 198 V HA -0.614 3.552 4.120 0.077 0.000 0.246 198 V C 1.637 177.741 176.094 0.017 0.000 1.047 198 V CA 4.360 66.726 62.300 0.109 0.000 1.035 198 V CB 0.023 31.969 31.823 0.204 0.000 0.658 198 V HN -0.197 8.182 8.190 0.315 0.000 0.452 199 T N -3.444 111.140 114.554 0.050 0.000 3.023 199 T HA -0.201 4.168 4.350 0.031 0.000 0.266 199 T C 1.681 176.372 174.700 -0.014 0.000 1.093 199 T CA 2.619 64.739 62.100 0.032 0.000 1.129 199 T CB 0.175 69.082 68.868 0.064 0.000 0.899 199 T HN -0.204 8.092 8.240 0.094 0.000 0.491 200 Q N 0.219 119.985 119.800 -0.056 0.000 2.297 200 Q HA -0.152 4.161 4.340 -0.044 0.000 0.204 200 Q C 1.621 177.538 176.000 -0.138 0.000 0.962 200 Q CA 2.175 57.925 55.803 -0.087 0.000 0.879 200 Q CB -0.025 28.655 28.738 -0.097 0.000 0.947 200 Q HN -0.516 7.718 8.270 -0.059 0.000 0.462 201 R N -4.443 115.942 120.500 -0.191 0.000 2.335 201 R HA 0.038 4.292 4.340 -0.144 0.000 0.210 201 R C -0.472 175.780 176.300 -0.080 0.000 0.892 201 R CA 0.349 56.352 56.100 -0.161 0.000 1.048 201 R CB 1.354 31.503 30.300 -0.250 0.000 1.067 201 R HN -0.725 7.393 8.270 -0.215 0.023 0.524 202 N N 0.131 118.801 118.700 -0.050 0.000 2.531 202 N HA 0.179 4.906 4.740 -0.021 0.000 0.268 202 N C -0.563 174.941 175.510 -0.011 0.000 1.023 202 N CA -0.961 52.078 53.050 -0.019 0.000 0.896 202 N CB 1.366 39.854 38.487 0.001 0.000 1.233 202 N HN -0.463 7.887 8.380 -0.050 0.000 0.512 203 c N 4.828 123.420 118.600 -0.013 0.000 2.539 203 c HA 0.005 4.572 4.570 -0.006 0.000 0.271 203 c C 0.671 174.757 174.090 -0.006 0.000 1.412 203 c CA 0.403 56.727 56.329 -0.008 0.000 1.729 203 c CB -1.347 41.157 42.510 -0.010 0.000 1.739 203 c HN 0.803 9.024 8.230 -0.015 0.000 0.570 204 N N -0.102 118.594 118.700 -0.007 0.000 2.463 204 N HA -0.017 4.713 4.740 -0.017 0.000 0.181 204 N C -0.817 174.684 175.510 -0.015 0.000 1.078 204 N CA 2.186 55.227 53.050 -0.014 0.000 0.902 204 N CB 0.594 39.071 38.487 -0.018 0.000 0.970 204 N HN -0.155 8.470 8.380 -0.007 -0.249 0.451 205 L N -2.588 118.638 121.223 0.005 0.000 2.334 205 L HA 0.662 5.145 4.340 0.011 -0.136 0.270 205 L C -0.926 175.969 176.870 0.042 0.000 1.018 205 L CA -0.920 53.936 54.840 0.026 0.000 0.811 205 L CB 2.822 44.915 42.059 0.055 0.000 1.271 205 L HN -0.700 7.487 8.230 0.009 0.048 0.443 206 T N -1.013 113.582 114.554 0.068 0.000 2.853 206 T HA 0.341 4.732 4.350 0.067 0.000 0.311 206 T C -2.168 172.596 174.700 0.107 0.000 1.307 206 T CA -1.834 60.312 62.100 0.076 0.000 1.019 206 T CB 2.617 71.522 68.868 0.062 0.000 1.264 206 T HN 0.373 8.664 8.240 0.084 0.000 0.497 207 Q N 4.574 124.428 119.800 0.091 0.000 2.352 207 Q HA 0.392 5.011 4.340 0.099 -0.220 0.260 207 Q C -0.633 175.414 176.000 0.079 0.000 0.976 207 Q CA 0.177 56.032 55.803 0.086 0.000 0.881 207 Q CB 1.090 29.868 28.738 0.067 0.000 1.235 207 Q HN 0.209 8.527 8.270 0.079 0.000 0.419 208 I N 5.703 126.317 120.570 0.072 0.000 2.378 208 I HA 0.152 4.357 4.170 0.059 0.000 0.291 208 I C -0.554 175.577 176.117 0.022 0.000 0.992 208 I CA -1.816 59.516 61.300 0.054 0.000 1.154 208 I CB 0.454 38.486 38.000 0.053 0.000 1.315 208 I HN 0.276 8.528 8.210 0.070 0.000 0.448 209 G N 4.848 113.658 108.800 0.017 0.000 2.698 209 G HA2 -0.368 3.648 3.960 0.007 0.000 0.233 209 G HA3 -0.368 3.594 3.960 0.003 0.000 0.233 209 G C -1.250 173.652 174.900 0.003 0.000 1.352 209 G CA 0.065 45.169 45.100 0.007 0.000 0.879 209 G HN 0.080 8.383 8.290 0.022 0.000 0.567 210 G N -1.755 107.043 108.800 -0.004 0.000 2.782 210 G HA2 0.166 4.118 3.960 -0.013 0.000 0.201 210 G HA3 0.166 4.116 3.960 -0.017 0.000 0.201 210 G C -1.331 173.548 174.900 -0.035 0.000 1.374 210 G CA -0.548 44.542 45.100 -0.016 0.000 1.039 210 G HN 0.078 8.367 8.290 -0.002 0.000 0.576 211 L N -1.529 119.661 121.223 -0.055 0.000 2.305 211 L HA 0.020 4.457 4.340 -0.106 -0.160 0.281 211 L C 0.552 177.355 176.870 -0.112 0.000 1.085 211 L CA -0.293 54.489 54.840 -0.097 0.000 0.813 211 L CB 1.120 43.113 42.059 -0.111 0.000 1.157 211 L HN 0.026 8.226 8.230 -0.050 0.000 0.436 212 I N 2.773 123.234 120.570 -0.181 0.000 2.716 212 I HA -0.131 3.985 4.170 -0.090 0.000 0.259 212 I C -0.250 175.686 176.117 -0.301 0.000 1.172 212 I CA 1.580 62.742 61.300 -0.230 0.000 1.478 212 I CB 0.639 38.377 38.000 -0.437 0.000 1.104 212 I HN 0.642 8.723 8.210 -0.215 0.000 0.439 213 D N -3.511 116.674 120.400 -0.357 0.000 2.825 213 D HA 0.090 4.592 4.640 -0.230 0.000 0.327 213 D C -2.107 174.038 176.300 -0.257 0.000 1.277 213 D CA -1.290 52.508 54.000 -0.336 0.000 0.950 213 D CB 1.687 42.148 40.800 -0.565 0.000 1.438 213 D HN -0.604 7.562 8.370 -0.341 0.000 0.526 214 S N -0.196 115.370 115.700 -0.223 0.000 2.571 214 S HA 0.581 5.108 4.470 -0.211 -0.184 0.284 214 S C -0.672 173.804 174.600 -0.206 0.000 1.128 214 S CA -1.200 56.882 58.200 -0.197 0.000 0.970 214 S CB 1.749 64.861 63.200 -0.146 0.000 1.039 214 S HN 0.035 8.218 8.310 -0.211 0.000 0.485 215 K N 4.139 124.393 120.400 -0.243 0.000 2.548 215 K HA 0.316 4.506 4.320 -0.218 0.000 0.282 215 K C -2.717 173.689 176.600 -0.323 0.000 1.006 215 K CA -1.350 54.784 56.287 -0.256 0.000 0.892 215 K CB 2.741 35.091 32.500 -0.250 0.000 1.499 215 K HN 0.515 8.606 8.250 -0.264 0.000 0.433 216 G N -2.473 106.130 108.800 -0.329 0.000 2.454 216 G HA2 0.622 4.473 3.960 -0.444 0.000 0.329 216 G HA3 0.622 4.390 3.960 -0.320 0.000 0.329 216 G C -1.938 172.714 174.900 -0.413 0.000 1.177 216 G CA -1.692 43.176 45.100 -0.388 0.000 0.951 216 G HN 0.142 8.254 8.290 -0.297 0.000 0.485 217 Y N -0.070 119.931 120.300 -0.500 0.000 2.313 217 Y HA 0.513 4.991 4.550 -0.442 -0.194 0.332 217 Y C -0.290 175.149 175.900 -0.769 0.000 1.071 217 Y CA -2.215 55.493 58.100 -0.654 0.000 1.169 217 Y CB 0.861 38.784 38.460 -0.895 0.000 1.192 217 Y HN -0.094 7.820 8.280 -0.610 0.000 0.487 218 G N -0.145 108.573 108.800 -0.137 0.000 2.605 218 G HA2 0.579 4.621 3.960 0.136 0.000 0.296 218 G HA3 0.579 4.656 3.960 0.195 0.000 0.296 218 G C -2.154 173.029 174.900 0.472 0.000 1.304 218 G CA -1.529 43.671 45.100 0.167 0.000 0.941 218 G HN -0.061 8.231 8.290 0.002 0.000 0.475 219 V N 1.137 121.329 119.914 0.465 0.000 2.479 219 V HA -0.170 4.252 4.120 0.263 -0.144 0.281 219 V C 0.037 176.219 176.094 0.146 0.000 1.031 219 V CA 0.805 63.268 62.300 0.272 0.000 1.038 219 V CB 0.387 32.309 31.823 0.166 0.000 0.981 219 V HN -0.026 8.435 8.190 0.451 0.000 0.478 220 G N 6.542 115.330 108.800 -0.021 0.000 2.395 220 G HA2 0.517 4.328 3.960 -0.526 0.000 0.283 220 G HA3 0.517 4.226 3.960 -0.418 0.000 0.283 220 G C -2.025 172.716 174.900 -0.265 0.000 1.178 220 G CA -1.157 43.746 45.100 -0.329 0.000 0.837 220 G HN 0.093 8.383 8.290 -0.001 0.000 0.518 221 T N -1.407 112.960 114.554 -0.311 0.000 2.883 221 T HA 0.722 4.925 4.350 -0.246 0.000 0.296 221 T C -2.469 172.064 174.700 -0.279 0.000 1.117 221 T CA -3.454 58.500 62.100 -0.243 0.000 1.006 221 T CB 1.841 70.625 68.868 -0.140 0.000 1.191 221 T HN 0.419 8.424 8.240 -0.392 0.000 0.508 222 P HA -0.002 4.267 4.420 -0.252 0.000 0.269 222 P C -0.783 176.417 177.300 -0.166 0.000 1.215 222 P CA 0.355 63.295 63.100 -0.266 0.000 0.780 222 P CB 0.526 31.931 31.700 -0.491 0.000 0.898 223 M N 4.147 123.677 119.600 -0.116 0.000 2.260 223 M HA -0.582 3.982 4.480 -0.090 -0.138 0.348 223 M C 1.229 177.512 176.300 -0.028 0.000 1.342 223 M CA 1.500 56.756 55.300 -0.074 0.000 1.040 223 M CB -0.255 32.309 32.600 -0.060 0.000 1.810 223 M HN 0.422 8.642 8.290 -0.116 0.000 0.453 224 G N 5.360 114.143 108.800 -0.029 0.000 2.195 224 G HA2 -0.459 3.494 3.960 -0.012 0.000 0.246 224 G HA3 -0.459 3.503 3.960 0.003 0.000 0.246 224 G C -0.769 174.122 174.900 -0.015 0.000 0.984 224 G CA -0.322 44.771 45.100 -0.011 0.000 0.633 224 G HN 0.643 9.267 8.290 -0.036 -0.355 0.525 225 S N 2.161 117.844 115.700 -0.029 0.000 2.549 225 S HA 0.216 4.679 4.470 -0.011 0.000 0.286 225 S C 0.352 174.936 174.600 -0.027 0.000 1.314 225 S CA -2.270 55.919 58.200 -0.019 0.000 1.062 225 S CB 0.915 64.105 63.200 -0.016 0.000 0.865 225 S HN -0.589 7.647 8.310 -0.047 0.046 0.498 226 P HA 0.018 4.379 4.420 -0.099 0.000 0.229 226 P C 0.277 177.465 177.300 -0.187 0.000 1.160 226 P CA 1.282 64.292 63.100 -0.150 0.000 0.777 226 P CB 0.121 31.683 31.700 -0.230 0.000 0.814 227 Y N -1.348 118.916 120.300 -0.061 0.000 2.439 227 Y HA -0.287 4.240 4.550 -0.038 0.000 0.292 227 Y C 1.727 177.605 175.900 -0.036 0.000 1.130 227 Y CA 3.069 61.132 58.100 -0.062 0.000 1.254 227 Y CB -0.586 37.795 38.460 -0.132 0.000 1.000 227 Y HN -0.382 7.883 8.280 0.035 0.036 0.554 228 R N -0.151 120.401 120.500 0.086 0.000 2.080 228 R HA -0.490 3.894 4.340 0.074 0.000 0.236 228 R C 1.445 177.786 176.300 0.069 0.000 1.137 228 R CA 4.625 60.764 56.100 0.065 0.000 0.943 228 R CB -0.312 30.008 30.300 0.032 0.000 0.846 228 R HN -0.798 7.477 8.270 0.058 0.029 0.431 229 D N -3.122 117.303 120.400 0.042 0.000 2.183 229 D HA -0.128 4.542 4.640 0.049 0.000 0.203 229 D C 2.116 178.445 176.300 0.050 0.000 0.969 229 D CA 2.879 56.903 54.000 0.040 0.000 0.842 229 D CB -0.710 40.101 40.800 0.018 0.000 0.957 229 D HN 0.149 8.534 8.370 0.024 0.000 0.484 230 K N 0.361 120.791 120.400 0.051 0.000 2.057 230 K HA -0.266 4.087 4.320 0.055 0.000 0.207 230 K C 2.531 179.197 176.600 0.109 0.000 1.049 230 K CA 3.406 59.736 56.287 0.072 0.000 0.931 230 K CB 0.020 32.563 32.500 0.073 0.000 0.714 230 K HN -0.884 7.388 8.250 0.037 0.000 0.440 231 I N -0.468 120.182 120.570 0.133 0.000 2.315 231 I HA -0.455 3.803 4.170 0.147 0.000 0.248 231 I C 1.559 177.748 176.117 0.120 0.000 1.117 231 I CA 3.822 65.204 61.300 0.138 0.000 1.404 231 I CB -0.170 37.912 38.000 0.138 0.000 1.071 231 I HN -0.054 8.238 8.210 0.136 0.000 0.419 232 T N 3.211 117.829 114.554 0.108 0.000 2.665 232 T HA -0.442 3.978 4.350 0.116 0.000 0.268 232 T C 1.836 176.587 174.700 0.085 0.000 1.035 232 T CA 5.633 67.793 62.100 0.099 0.000 1.151 232 T CB -0.210 68.706 68.868 0.080 0.000 0.862 232 T HN -0.365 7.936 8.240 0.102 0.000 0.438 233 I N 0.321 120.934 120.570 0.072 0.000 2.226 233 I HA -0.499 3.704 4.170 0.054 0.000 0.245 233 I C 1.342 177.497 176.117 0.063 0.000 1.100 233 I CA 3.920 65.256 61.300 0.059 0.000 1.374 233 I CB -0.266 37.763 38.000 0.048 0.000 1.057 233 I HN -0.579 7.673 8.210 0.071 0.000 0.413 234 A N 0.425 123.289 122.820 0.073 0.000 1.933 234 A HA -0.279 4.075 4.320 0.056 0.000 0.218 234 A C 2.088 179.713 177.584 0.068 0.000 1.175 234 A CA 3.002 55.079 52.037 0.067 0.000 0.628 234 A CB -0.699 18.348 19.000 0.077 0.000 0.814 234 A HN -0.468 7.732 8.150 0.082 0.000 0.444 235 I N -1.524 119.100 120.570 0.090 0.000 2.226 235 I HA -0.607 3.622 4.170 0.099 0.000 0.245 235 I C 1.684 177.860 176.117 0.098 0.000 1.100 235 I CA 4.467 65.833 61.300 0.110 0.000 1.374 235 I CB 0.055 38.156 38.000 0.167 0.000 1.057 235 I HN -0.130 8.140 8.210 0.099 0.000 0.413 236 L N -1.685 119.588 121.223 0.084 0.000 2.083 236 L HA -0.511 3.871 4.340 0.071 0.000 0.209 236 L C 2.068 178.971 176.870 0.056 0.000 1.083 236 L CA 3.299 58.179 54.840 0.067 0.000 0.752 236 L CB -0.847 41.245 42.059 0.054 0.000 0.899 236 L HN -0.226 8.054 8.230 0.083 0.000 0.433 237 Q N 0.138 119.968 119.800 0.051 0.000 2.020 237 Q HA -0.348 4.013 4.340 0.037 0.000 0.202 237 Q C 2.548 178.574 176.000 0.044 0.000 0.982 237 Q CA 3.306 59.134 55.803 0.041 0.000 0.838 237 Q CB 0.097 28.857 28.738 0.036 0.000 0.899 237 Q HN -0.395 7.907 8.270 0.053 0.000 0.423 238 L N -1.140 120.113 121.223 0.049 0.000 2.079 238 L HA -0.329 4.036 4.340 0.040 0.000 0.210 238 L C 2.471 179.382 176.870 0.069 0.000 1.081 238 L CA 2.856 57.726 54.840 0.050 0.000 0.752 238 L CB -0.441 41.644 42.059 0.043 0.000 0.896 238 L HN -0.081 8.179 8.230 0.051 0.000 0.433 239 Q N -1.397 118.452 119.800 0.081 0.000 2.020 239 Q HA -0.428 3.977 4.340 0.108 0.000 0.202 239 Q C 2.633 178.671 176.000 0.064 0.000 0.982 239 Q CA 3.103 58.959 55.803 0.088 0.000 0.838 239 Q CB -0.414 28.378 28.738 0.089 0.000 0.899 239 Q HN -0.046 8.273 8.270 0.081 0.000 0.423 240 E N 0.350 120.579 120.200 0.048 0.000 2.070 240 E HA -0.284 4.082 4.350 0.027 0.000 0.197 240 E C 2.096 178.715 176.600 0.031 0.000 1.004 240 E CA 2.705 59.124 56.400 0.033 0.000 0.805 240 E CB -0.140 29.577 29.700 0.028 0.000 0.744 240 E HN -0.523 7.867 8.360 0.050 0.000 0.451 241 E N -3.786 116.436 120.200 0.037 0.000 2.427 241 E HA -0.128 4.239 4.350 0.028 0.000 0.196 241 E C 0.439 177.066 176.600 0.046 0.000 1.028 241 E CA 0.063 56.484 56.400 0.035 0.000 0.864 241 E CB 0.437 30.157 29.700 0.033 0.000 0.813 241 E HN -0.522 7.845 8.360 0.041 0.018 0.514 242 G N -2.329 106.509 108.800 0.062 0.000 2.175 242 G HA2 -0.444 3.575 3.960 0.098 0.000 0.244 242 G HA3 -0.444 3.565 3.960 0.082 0.000 0.244 242 G C 0.455 175.434 174.900 0.130 0.000 0.982 242 G CA 0.502 45.658 45.100 0.094 0.000 0.641 242 G HN -0.035 8.085 8.290 0.063 0.209 0.527 243 K N 1.398 121.856 120.400 0.096 0.000 2.103 243 K HA -0.179 4.189 4.320 0.081 0.000 0.204 243 K C 1.423 178.084 176.600 0.102 0.000 1.052 243 K CA 3.036 59.372 56.287 0.082 0.000 0.945 243 K CB 0.023 32.550 32.500 0.045 0.000 0.722 243 K HN -0.396 7.863 8.250 0.079 0.038 0.443 244 L N -2.174 119.129 121.223 0.134 0.000 2.093 244 L HA -0.334 4.096 4.340 0.150 0.000 0.208 244 L C 1.484 178.502 176.870 0.248 0.000 1.085 244 L CA 3.056 58.012 54.840 0.194 0.000 0.755 244 L CB -0.436 41.767 42.059 0.240 0.000 0.904 244 L HN -0.841 7.467 8.230 0.130 0.000 0.435 245 H N -0.681 118.465 119.070 0.127 0.000 2.353 245 H HA -0.326 4.294 4.556 0.106 0.000 0.300 245 H C 1.707 177.107 175.328 0.119 0.000 1.090 245 H CA 3.665 59.777 56.048 0.106 0.000 1.327 245 H CB 0.225 30.025 29.762 0.063 0.000 1.383 245 H HN -0.256 8.203 8.280 0.297 0.000 0.508 246 M N -1.074 118.563 119.600 0.062 0.000 2.117 246 M HA -0.453 3.985 4.480 -0.070 0.000 0.262 246 M C 2.381 178.708 176.300 0.045 0.000 1.065 246 M CA 3.990 59.295 55.300 0.007 0.000 1.114 246 M CB 0.059 32.700 32.600 0.068 0.000 1.361 246 M HN -0.463 7.928 8.290 0.168 0.000 0.408 247 M N -0.919 118.759 119.600 0.130 0.000 2.117 247 M HA -0.458 4.163 4.480 0.236 0.000 0.262 247 M C 1.984 178.602 176.300 0.530 0.000 1.065 247 M CA 4.269 59.724 55.300 0.260 0.000 1.114 247 M CB -0.055 32.573 32.600 0.048 0.000 1.361 247 M HN -0.211 8.153 8.290 0.123 0.000 0.408 248 K N -0.419 120.249 120.400 0.447 0.000 2.057 248 K HA -0.389 4.249 4.320 0.529 0.000 0.207 248 K C 2.091 178.861 176.600 0.283 0.000 1.049 248 K CA 3.252 59.741 56.287 0.338 0.000 0.931 248 K CB -0.441 32.038 32.500 -0.035 0.000 0.714 248 K HN -0.302 8.153 8.250 0.342 0.000 0.440 249 E N -1.883 118.340 120.200 0.038 0.000 2.110 249 E HA -0.360 4.021 4.350 0.052 0.000 0.193 249 E C 2.107 178.753 176.600 0.076 0.000 0.988 249 E CA 2.677 59.083 56.400 0.011 0.000 0.804 249 E CB -0.525 29.088 29.700 -0.144 0.000 0.745 249 E HN -0.323 7.984 8.360 -0.088 0.000 0.458 250 K N -0.474 119.946 120.400 0.033 0.000 2.026 250 K HA -0.263 3.950 4.320 -0.179 0.000 0.208 250 K C 2.457 178.912 176.600 -0.241 0.000 1.048 250 K CA 2.662 58.842 56.287 -0.178 0.000 0.929 250 K CB -0.007 32.302 32.500 -0.318 0.000 0.713 250 K HN -0.453 7.834 8.250 0.060 0.000 0.439 251 W N -4.015 117.446 121.300 0.269 0.000 2.737 251 W HA -0.043 4.673 4.660 0.093 0.000 0.262 251 W C 1.381 178.009 176.519 0.181 0.000 1.282 251 W CA 1.107 58.559 57.345 0.180 0.000 1.386 251 W CB 0.738 30.282 29.460 0.140 0.000 1.099 251 W HN -0.666 7.800 8.180 0.477 0.000 0.621 252 W N -2.860 118.605 121.300 0.275 0.000 3.211 252 W HA 0.108 5.060 4.660 0.486 0.000 0.292 252 W C 0.452 177.047 176.519 0.127 0.000 1.268 252 W CA 1.125 58.638 57.345 0.281 0.000 1.702 252 W CB 0.923 30.501 29.460 0.196 0.000 1.092 252 W HN -0.168 8.482 8.180 0.782 0.000 0.643 257 c N 0.000 118.591 118.600 -0.016 0.000 2.653 257 c HA 0.000 4.564 4.570 -0.011 0.000 0.325 257 c CA 0.000 56.323 56.329 -0.009 0.000 1.963 257 c CB 0.000 42.505 42.510 -0.008 0.000 2.134 257 c HN 0.000 nan 8.230 nan 0.000 0.568