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 3g3i_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNRSLIVTTI LEEPYVLFKK SDKPLYGNDR FEGYCIDLLR ELSTHLGFTY DATA SEQUENCE EIRLVEDGKY GAQDDVNGQW NGMVRELIDH KADLAVAPLA ITYVREEVID DATA SEQUENCE FSKPFMTLGI SILYRKGTPI DSADDLAKQT KIEYGAVEDG ATMTFFKKSK DATA SEQUENCE ISTYDKMWAF MSSRRQSVLV KSNEEGIQRV LTSDYAFLME STTIEFVTQR DATA SEQUENCE NcNLTQIGGL IDSKGYGVGT PMGSPYRDKI TLAILKLQEE GKLHMMKEKW DATA SEQUENCE WRGXGc 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 4.487 4.470 0.028 0.000 0.327 2 S C 0.000 174.620 174.600 0.034 0.000 1.055 2 S CA 0.000 58.215 58.200 0.025 0.000 1.107 2 S CB 0.000 63.212 63.200 0.020 0.000 0.593 3 N N 2.626 121.355 118.700 0.048 0.000 2.508 3 N HA 0.050 4.822 4.740 0.054 0.000 0.264 3 N C -0.087 175.459 175.510 0.060 0.000 1.216 3 N CA 0.284 53.370 53.050 0.061 0.000 0.943 3 N CB 0.470 39.011 38.487 0.090 0.000 1.113 3 N HN 0.106 8.517 8.380 0.052 0.000 0.447 4 R N 2.126 122.658 120.500 0.054 0.000 2.537 4 R HA -0.194 4.168 4.340 0.037 0.000 0.281 4 R C -0.553 175.781 176.300 0.056 0.000 0.988 4 R CA 0.581 56.708 56.100 0.045 0.000 1.077 4 R CB 0.605 30.927 30.300 0.037 0.000 0.932 4 R HN 0.097 8.399 8.270 0.053 0.000 0.409 5 S N 2.568 118.297 115.700 0.049 0.000 2.549 5 S HA -0.113 4.547 4.470 0.105 -0.128 0.283 5 S C -0.081 174.541 174.600 0.036 0.000 1.320 5 S CA -0.094 58.146 58.200 0.067 0.000 1.058 5 S CB 0.491 63.721 63.200 0.048 0.000 0.882 5 S HN -0.028 8.305 8.310 0.038 0.000 0.498 6 L N 3.661 124.898 121.223 0.022 0.000 2.416 6 L HA -0.104 4.302 4.340 -0.137 -0.149 0.272 6 L C -0.188 176.654 176.870 -0.047 0.000 1.161 6 L CA 0.000 54.769 54.840 -0.118 0.000 0.845 6 L CB 0.410 42.224 42.059 -0.409 0.000 1.119 6 L HN 0.236 8.518 8.230 0.088 0.000 0.464 7 I N 2.941 123.460 120.570 -0.085 0.000 2.352 7 I HA 0.169 4.485 4.170 -0.014 -0.155 0.290 7 I C -0.300 175.750 176.117 -0.111 0.000 1.036 7 I CA -2.326 58.939 61.300 -0.059 0.000 1.336 7 I CB -1.087 36.883 38.000 -0.051 0.000 1.407 7 I HN 0.357 8.848 8.210 -0.109 -0.346 0.497 8 V N 9.030 128.892 119.914 -0.087 0.000 2.334 8 V HA 0.388 4.596 4.120 -0.181 -0.197 0.281 8 V C -0.889 175.114 176.094 -0.151 0.000 1.016 8 V CA -1.412 60.801 62.300 -0.145 0.000 0.832 8 V CB 1.286 33.015 31.823 -0.156 0.000 0.999 8 V HN 0.571 8.738 8.190 -0.038 0.000 0.439 9 T N 8.938 123.397 114.554 -0.158 0.000 2.889 9 T HA 0.758 5.263 4.350 -0.151 -0.246 0.291 9 T C -0.732 173.852 174.700 -0.193 0.000 0.995 9 T CA -0.849 61.156 62.100 -0.158 0.000 1.092 9 T CB 0.917 69.704 68.868 -0.134 0.000 0.954 9 T HN 0.340 8.483 8.240 -0.162 0.000 0.506 10 T N 4.854 119.276 114.554 -0.221 0.000 2.665 10 T HA 0.365 4.577 4.350 -0.231 0.000 0.303 10 T C -2.661 171.879 174.700 -0.266 0.000 1.334 10 T CA -2.040 59.906 62.100 -0.256 0.000 1.011 10 T CB 1.800 70.480 68.868 -0.314 0.000 1.573 10 T HN -0.348 7.764 8.240 -0.212 0.000 0.492 11 I N -0.375 120.027 120.570 -0.280 0.000 2.827 11 I HA 0.218 4.244 4.170 -0.239 0.000 0.298 11 I C -2.639 173.350 176.117 -0.212 0.000 1.235 11 I CA -1.514 59.620 61.300 -0.277 0.000 1.021 11 I CB 4.041 41.765 38.000 -0.461 0.000 1.259 11 I HN 0.158 8.207 8.210 -0.269 0.000 0.427 12 L N 4.472 125.598 121.223 -0.162 0.000 2.410 12 L HA -0.047 4.320 4.340 -0.159 -0.123 0.273 12 L C -0.961 175.879 176.870 -0.049 0.000 1.144 12 L CA 0.149 54.913 54.840 -0.126 0.000 0.863 12 L CB 0.193 42.188 42.059 -0.105 0.000 1.140 12 L HN 0.181 8.324 8.230 -0.146 0.000 0.463 13 E N 4.240 124.421 120.200 -0.032 0.000 2.531 13 E HA 0.146 4.527 4.350 0.050 0.000 0.323 13 E C -2.350 174.238 176.600 -0.020 0.000 0.908 13 E CA -1.065 55.357 56.400 0.038 0.000 0.792 13 E CB 3.457 33.231 29.700 0.124 0.000 1.360 13 E HN 0.167 8.489 8.360 -0.063 0.000 0.394 14 E N 5.973 126.111 120.200 -0.104 0.000 2.360 14 E HA 0.054 4.205 4.350 -0.332 0.000 0.269 14 E C -1.249 174.955 176.600 -0.660 0.000 1.022 14 E CA -2.783 53.420 56.400 -0.329 0.000 0.887 14 E CB 0.987 30.534 29.700 -0.255 0.000 0.990 14 E HN 0.255 8.580 8.360 -0.058 0.000 0.426 15 P HA 0.276 4.305 4.420 -0.652 0.000 0.266 15 P C -0.608 176.204 177.300 -0.813 0.000 1.561 15 P CA -0.167 62.373 63.100 -0.934 0.000 1.089 15 P CB 0.210 31.206 31.700 -1.174 0.000 1.534 16 Y N 0.825 120.873 120.300 -0.420 0.000 2.206 16 Y HA -0.106 4.325 4.550 -0.198 0.000 0.292 16 Y C 0.155 175.864 175.900 -0.319 0.000 1.123 16 Y CA 4.568 62.512 58.100 -0.259 0.000 1.142 16 Y CB 0.961 39.351 38.460 -0.115 0.000 1.006 16 Y HN -0.337 7.679 8.280 -0.316 0.074 0.518 17 V N -3.684 116.150 119.914 -0.133 0.000 2.655 17 V HA 0.397 4.540 4.120 -0.206 -0.147 0.301 17 V C -1.894 174.107 176.094 -0.155 0.000 1.082 17 V CA -0.728 61.469 62.300 -0.171 0.000 0.899 17 V CB 2.531 34.250 31.823 -0.174 0.000 1.014 17 V HN -0.335 7.797 8.190 -0.098 0.000 0.429 18 L N 3.488 124.639 121.223 -0.120 0.000 2.415 18 L HA 0.428 4.704 4.340 -0.107 0.000 0.256 18 L C -1.493 175.365 176.870 -0.021 0.000 1.010 18 L CA -1.144 53.651 54.840 -0.075 0.000 0.826 18 L CB 4.047 46.097 42.059 -0.016 0.000 1.405 18 L HN 0.422 8.591 8.230 -0.102 0.000 0.410 19 F N 0.384 120.360 119.950 0.044 0.000 2.456 19 F HA 0.111 4.718 4.527 -0.141 -0.165 0.358 19 F C 0.744 176.524 175.800 -0.033 0.000 1.095 19 F CA 0.053 58.017 58.000 -0.061 0.000 1.216 19 F CB 0.745 39.686 39.000 -0.098 0.000 1.125 19 F HN 0.118 8.455 8.300 0.061 0.000 0.549 20 K N 3.735 124.237 120.400 0.170 0.000 2.414 20 K HA -0.178 4.218 4.320 0.128 0.000 0.272 20 K C 0.184 176.824 176.600 0.067 0.000 0.993 20 K CA 0.623 56.976 56.287 0.109 0.000 0.964 20 K CB 0.618 33.164 32.500 0.077 0.000 0.925 20 K HN -0.185 8.153 8.250 0.146 0.000 0.487 21 K N 2.629 123.065 120.400 0.060 0.000 2.234 21 K HA 0.084 4.411 4.320 0.011 0.000 0.282 21 K C -0.537 176.067 176.600 0.007 0.000 1.039 21 K CA 0.433 56.736 56.287 0.027 0.000 0.928 21 K CB 0.584 33.106 32.500 0.037 0.000 1.039 21 K HN 0.307 8.603 8.250 0.077 0.000 0.470 22 S N 2.673 118.360 115.700 -0.022 0.000 2.537 22 S HA 0.180 4.642 4.470 -0.013 0.000 0.271 22 S C -0.457 174.118 174.600 -0.041 0.000 1.148 22 S CA -1.222 56.961 58.200 -0.028 0.000 0.868 22 S CB 1.296 64.471 63.200 -0.042 0.000 1.115 22 S HN 0.261 8.550 8.310 -0.035 0.000 0.461 23 D N 2.101 122.483 120.400 -0.030 0.000 2.137 23 D HA 0.044 4.661 4.640 -0.038 0.000 0.202 23 D C 0.324 176.600 176.300 -0.041 0.000 0.970 23 D CA 1.458 55.438 54.000 -0.033 0.000 0.837 23 D CB 0.392 41.181 40.800 -0.019 0.000 0.981 23 D HN 0.229 8.587 8.370 -0.020 0.000 0.475 24 K N 1.142 121.523 120.400 -0.032 0.000 2.258 24 K HA 0.240 4.544 4.320 -0.027 0.000 0.264 24 K C -2.281 174.269 176.600 -0.083 0.000 1.007 24 K CA -2.348 53.920 56.287 -0.032 0.000 0.941 24 K CB -0.275 32.226 32.500 0.002 0.000 0.966 24 K HN -0.249 7.987 8.250 -0.023 0.000 0.480 25 P HA -0.045 4.200 4.420 -0.292 0.000 0.269 25 P C -1.471 175.606 177.300 -0.371 0.000 1.209 25 P CA -0.052 62.877 63.100 -0.285 0.000 0.776 25 P CB 0.501 32.006 31.700 -0.324 0.000 0.876 26 L N 0.495 121.428 121.223 -0.483 0.000 2.330 26 L HA 0.226 4.444 4.340 -0.204 0.000 0.271 26 L C -0.933 175.563 176.870 -0.623 0.000 1.013 26 L CA -1.317 53.296 54.840 -0.378 0.000 0.816 26 L CB 2.208 44.144 42.059 -0.205 0.000 1.287 26 L HN -0.268 7.678 8.230 -0.473 0.000 0.435 27 Y N -0.326 119.949 120.300 -0.042 0.000 2.512 27 Y HA 0.113 4.644 4.550 -0.031 0.000 0.348 27 Y C 0.588 176.493 175.900 0.008 0.000 0.990 27 Y CA -0.609 57.478 58.100 -0.023 0.000 1.033 27 Y CB 3.129 41.581 38.460 -0.014 0.000 1.259 27 Y HN 0.190 8.517 8.280 0.079 0.000 0.461 28 G N 2.487 111.397 108.800 0.183 0.000 2.582 28 G HA2 -0.520 3.554 3.960 0.191 0.000 0.288 28 G HA3 -0.520 3.535 3.960 0.158 0.000 0.288 28 G C 0.856 175.889 174.900 0.222 0.000 1.247 28 G CA 0.954 46.163 45.100 0.180 0.000 0.972 28 G HN 0.215 8.615 8.290 0.182 0.000 0.557 29 N N 3.071 121.902 118.700 0.220 0.000 2.364 29 N HA -0.229 4.817 4.740 0.511 0.000 0.183 29 N C 1.579 177.260 175.510 0.285 0.000 1.022 29 N CA 2.175 55.419 53.050 0.323 0.000 0.883 29 N CB -0.525 38.078 38.487 0.194 0.000 0.965 29 N HN 0.286 8.758 8.380 0.154 0.000 0.438 30 D N 0.744 121.236 120.400 0.154 0.000 2.350 30 D HA -0.187 4.525 4.640 0.121 0.000 0.216 30 D C 1.233 177.557 176.300 0.040 0.000 0.968 30 D CA 1.737 55.800 54.000 0.104 0.000 0.894 30 D CB -0.237 40.614 40.800 0.085 0.000 0.909 30 D HN -0.509 7.907 8.370 0.136 0.035 0.520 31 R N -2.433 118.026 120.500 -0.069 0.000 2.189 31 R HA -0.243 3.991 4.340 -0.176 0.000 0.223 31 R C -0.114 176.035 176.300 -0.252 0.000 1.092 31 R CA 2.496 58.436 56.100 -0.267 0.000 0.989 31 R CB 0.386 30.356 30.300 -0.549 0.000 0.876 31 R HN -0.641 7.550 8.270 -0.046 0.051 0.457 32 F N -4.044 115.981 119.950 0.125 0.000 2.507 32 F HA 0.772 5.496 4.527 0.029 -0.180 0.327 32 F C -1.087 174.731 175.800 0.030 0.000 1.068 32 F CA -1.671 56.353 58.000 0.041 0.000 0.965 32 F CB 3.161 42.145 39.000 -0.027 0.000 1.192 32 F HN -0.729 7.637 8.300 0.192 0.048 0.476 33 E N -2.651 117.651 120.200 0.170 0.000 2.449 33 E HA 0.365 4.769 4.350 0.091 0.000 0.278 33 E C -2.039 174.406 176.600 -0.258 0.000 0.992 33 E CA -1.876 54.561 56.400 0.063 0.000 0.807 33 E CB 3.702 33.533 29.700 0.219 0.000 1.350 33 E HN 0.359 8.806 8.360 0.145 0.000 0.462 34 G N -2.854 105.507 108.800 -0.731 0.000 2.361 34 G HA2 -0.198 1.903 3.960 -3.099 0.000 0.331 34 G HA3 -0.198 3.280 3.960 -1.031 -0.137 0.331 34 G C -1.380 172.684 174.900 -1.393 0.000 1.324 34 G CA -0.421 43.689 45.100 -1.651 0.000 0.984 34 G HN -0.258 7.731 8.290 -0.501 0.000 0.586 35 Y N 0.469 119.842 120.300 -1.546 0.000 2.114 35 Y HA -0.322 3.898 4.550 -0.550 0.000 0.282 35 Y C 1.195 176.936 175.900 -0.265 0.000 1.165 35 Y CA 4.074 61.782 58.100 -0.653 0.000 1.148 35 Y CB 0.643 38.971 38.460 -0.220 0.000 0.972 35 Y HN -0.212 7.260 8.280 -1.346 0.000 0.504 36 C N -3.572 115.757 119.300 0.047 0.000 2.432 36 C HA -0.342 4.079 4.460 -0.065 0.000 0.280 36 C C 1.615 176.491 174.990 -0.190 0.000 1.353 36 C CA 3.814 62.809 59.018 -0.039 0.000 1.766 36 C CB -1.343 26.416 27.740 0.033 0.000 1.924 36 C HN -0.235 7.942 8.230 0.084 0.104 0.509 37 I N 0.920 121.368 120.570 -0.204 0.000 2.252 37 I HA -0.348 3.728 4.170 -0.157 0.000 0.245 37 I C 2.003 178.051 176.117 -0.115 0.000 1.102 37 I CA 2.547 63.758 61.300 -0.147 0.000 1.385 37 I CB -0.922 37.030 38.000 -0.080 0.000 1.064 37 I HN -0.770 7.296 8.210 -0.241 0.000 0.414 38 D N 0.005 120.334 120.400 -0.117 0.000 2.123 38 D HA -0.301 4.338 4.640 -0.003 0.000 0.196 38 D C 2.485 178.691 176.300 -0.157 0.000 0.992 38 D CA 3.444 57.403 54.000 -0.068 0.000 0.833 38 D CB -0.343 40.476 40.800 0.031 0.000 0.954 38 D HN -0.244 8.032 8.370 -0.157 0.000 0.455 39 L N 0.506 121.554 121.223 -0.291 0.000 2.012 39 L HA -0.264 3.917 4.340 -0.265 0.000 0.210 39 L C 1.488 178.234 176.870 -0.207 0.000 1.073 39 L CA 2.789 57.450 54.840 -0.298 0.000 0.748 39 L CB -0.237 41.552 42.059 -0.450 0.000 0.891 39 L HN -0.231 7.783 8.230 -0.361 0.000 0.431 40 L N -1.397 119.687 121.223 -0.231 0.000 2.042 40 L HA -0.416 3.788 4.340 -0.227 0.000 0.210 40 L C 1.589 178.297 176.870 -0.270 0.000 1.076 40 L CA 3.307 57.979 54.840 -0.279 0.000 0.749 40 L CB -0.670 41.149 42.059 -0.401 0.000 0.893 40 L HN -0.159 7.925 8.230 -0.243 0.000 0.432 41 R N -1.381 119.027 120.500 -0.153 0.000 2.081 41 R HA -0.355 3.995 4.340 0.016 0.000 0.235 41 R C 2.401 178.653 176.300 -0.079 0.000 1.131 41 R CA 3.268 59.342 56.100 -0.043 0.000 0.960 41 R CB -0.275 30.045 30.300 0.033 0.000 0.856 41 R HN -0.361 7.833 8.270 -0.126 0.000 0.436 42 E N -0.186 119.980 120.200 -0.057 0.000 2.077 42 E HA -0.257 4.090 4.350 -0.005 0.000 0.193 42 E C 2.548 179.188 176.600 0.066 0.000 0.989 42 E CA 2.837 59.251 56.400 0.023 0.000 0.800 42 E CB -0.327 29.420 29.700 0.077 0.000 0.746 42 E HN -0.502 7.820 8.360 -0.064 0.000 0.452 43 L N -1.322 119.900 121.223 -0.001 0.000 2.042 43 L HA -0.388 4.030 4.340 0.130 0.000 0.210 43 L C 2.431 179.164 176.870 -0.228 0.000 1.076 43 L CA 3.375 58.235 54.840 0.034 0.000 0.749 43 L CB -0.548 41.588 42.059 0.129 0.000 0.893 43 L HN 0.171 8.376 8.230 -0.040 0.000 0.432 44 S N -1.257 114.091 115.700 -0.588 0.000 2.359 44 S HA -0.310 2.705 4.470 -2.424 0.000 0.224 44 S C 2.332 176.600 174.600 -0.553 0.000 1.035 44 S CA 3.723 61.259 58.200 -1.106 0.000 1.018 44 S CB -0.315 62.599 63.200 -0.476 0.000 0.876 44 S HN -0.037 8.021 8.310 -0.420 0.000 0.448 45 T N 0.129 114.489 114.554 -0.323 0.000 2.812 45 T HA -0.220 3.989 4.350 -0.235 0.000 0.264 45 T C 1.949 176.480 174.700 -0.281 0.000 1.042 45 T CA 3.335 65.262 62.100 -0.288 0.000 1.140 45 T CB 0.188 68.868 68.868 -0.314 0.000 0.870 45 T HN -0.554 7.519 8.240 -0.278 0.000 0.445 46 H N 0.659 119.681 119.070 -0.080 0.000 2.389 46 H HA -0.167 4.381 4.556 -0.013 0.000 0.299 46 H C 1.392 176.728 175.328 0.013 0.000 1.081 46 H CA 2.703 58.739 56.048 -0.021 0.000 1.345 46 H CB 0.342 30.103 29.762 -0.001 0.000 1.393 46 H HN -0.400 7.768 8.280 -0.187 0.000 0.520 47 L N -5.578 115.716 121.223 0.119 0.000 2.513 47 L HA 0.104 4.562 4.340 0.197 0.000 0.222 47 L C 0.172 177.151 176.870 0.180 0.000 1.096 47 L CA 0.163 55.127 54.840 0.207 0.000 0.857 47 L CB 1.018 43.328 42.059 0.419 0.000 1.026 47 L HN -0.393 7.860 8.230 0.038 0.000 0.469 48 G N -1.170 107.646 108.800 0.027 0.000 2.417 48 G HA2 -0.321 3.660 3.960 -0.034 0.000 0.291 48 G HA3 -0.321 3.683 3.960 0.073 0.000 0.291 48 G C -1.092 173.911 174.900 0.171 0.000 1.094 48 G CA 0.199 45.324 45.100 0.041 0.000 1.146 48 G HN -0.470 7.768 8.290 -0.087 0.000 0.519 49 F N -3.815 116.197 119.950 0.104 0.000 2.613 49 F HA 0.556 5.140 4.527 0.095 0.000 0.314 49 F C -2.368 173.501 175.800 0.115 0.000 1.075 49 F CA -2.944 55.119 58.000 0.105 0.000 0.945 49 F CB 2.027 41.084 39.000 0.096 0.000 1.310 49 F HN -0.812 7.276 8.300 -0.354 0.000 0.467 50 T N -3.393 111.355 114.554 0.325 0.000 2.936 50 T HA 0.265 4.679 4.350 0.107 0.000 0.282 50 T C -1.629 173.304 174.700 0.388 0.000 1.003 50 T CA -2.351 59.869 62.100 0.199 0.000 1.005 50 T CB 2.075 70.957 68.868 0.023 0.000 1.097 50 T HN -0.082 8.339 8.240 0.302 0.000 0.532 51 Y N -5.112 115.282 120.300 0.157 0.000 2.656 51 Y HA 0.748 5.602 4.550 0.085 -0.253 0.334 51 Y C -2.553 173.383 175.900 0.060 0.000 1.179 51 Y CA -1.703 56.469 58.100 0.120 0.000 1.050 51 Y CB 2.786 41.360 38.460 0.191 0.000 1.308 51 Y HN -0.159 7.934 8.280 -0.312 0.000 0.456 52 E N 0.187 120.512 120.200 0.208 0.000 2.241 52 E HA 0.390 4.975 4.350 0.122 -0.161 0.263 52 E C -1.137 175.551 176.600 0.146 0.000 0.882 52 E CA -2.192 54.292 56.400 0.139 0.000 0.769 52 E CB 4.298 34.042 29.700 0.073 0.000 1.185 52 E HN 0.095 8.578 8.360 0.206 0.000 0.415 53 I N 7.212 127.872 120.570 0.151 0.000 2.441 53 I HA 0.085 4.379 4.170 -0.065 -0.163 0.287 53 I C -0.933 175.163 176.117 -0.034 0.000 1.049 53 I CA 0.588 61.872 61.300 -0.027 0.000 1.381 53 I CB 0.342 38.215 38.000 -0.212 0.000 1.409 53 I HN 0.199 8.849 8.210 0.199 -0.321 0.523 54 R N 5.535 125.978 120.500 -0.093 0.000 2.502 54 R HA 0.383 4.747 4.340 0.040 0.000 0.300 54 R C -1.496 174.749 176.300 -0.090 0.000 0.984 54 R CA -1.852 54.228 56.100 -0.032 0.000 0.882 54 R CB 3.130 33.425 30.300 -0.008 0.000 1.180 54 R HN 0.342 8.532 8.270 -0.132 0.000 0.444 55 L N 4.024 125.221 121.223 -0.043 0.000 2.455 55 L HA 0.002 4.419 4.340 -0.152 -0.169 0.272 55 L C 0.577 177.414 176.870 -0.056 0.000 1.174 55 L CA -0.155 54.642 54.840 -0.073 0.000 0.869 55 L CB 0.580 42.646 42.059 0.011 0.000 1.130 55 L HN 0.395 8.651 8.230 0.044 0.000 0.474 56 V N 2.947 122.804 119.914 -0.096 0.000 2.644 56 V HA -0.357 3.849 4.120 -0.065 -0.125 0.305 56 V C 0.936 177.008 176.094 -0.037 0.000 1.053 56 V CA 1.112 63.366 62.300 -0.076 0.000 1.186 56 V CB 1.232 32.986 31.823 -0.115 0.000 0.895 56 V HN 0.259 8.369 8.190 -0.134 0.000 0.490 57 E N 8.881 129.072 120.200 -0.015 0.000 2.106 57 E HA -0.311 4.047 4.350 0.013 0.000 0.192 57 E C 0.082 176.688 176.600 0.010 0.000 0.984 57 E CA 2.714 59.117 56.400 0.006 0.000 0.806 57 E CB 0.207 29.913 29.700 0.011 0.000 0.750 57 E HN -0.005 8.604 8.360 -0.017 -0.258 0.458 58 D N -5.378 115.027 120.400 0.007 0.000 2.340 58 D HA -0.037 4.617 4.640 0.023 0.000 0.220 58 D C 0.746 177.054 176.300 0.014 0.000 1.039 58 D CA -0.975 53.036 54.000 0.018 0.000 0.866 58 D CB -0.119 40.699 40.800 0.030 0.000 0.913 58 D HN -0.176 8.196 8.370 0.002 0.000 0.523 59 G N -0.144 108.648 108.800 -0.012 0.000 2.179 59 G HA2 -0.486 3.440 3.960 -0.057 0.000 0.257 59 G HA3 -0.486 3.473 3.960 -0.001 0.000 0.257 59 G C -0.601 174.278 174.900 -0.035 0.000 1.010 59 G CA 0.951 46.035 45.100 -0.027 0.000 0.736 59 G HN -0.478 7.640 8.290 -0.023 0.159 0.513 60 K N -1.742 118.638 120.400 -0.034 0.000 2.267 60 K HA 0.347 4.713 4.320 0.076 0.000 0.246 60 K C -0.584 175.988 176.600 -0.047 0.000 0.954 60 K CA -2.230 54.073 56.287 0.026 0.000 0.824 60 K CB 2.524 35.081 32.500 0.096 0.000 1.167 60 K HN -0.783 7.655 8.250 -0.033 -0.207 0.431 61 Y N 0.142 120.483 120.300 0.069 0.000 2.114 61 Y HA -0.282 4.292 4.550 0.039 0.000 0.284 61 Y C 0.062 176.028 175.900 0.111 0.000 1.119 61 Y CA 3.388 61.529 58.100 0.069 0.000 1.108 61 Y CB 0.996 39.499 38.460 0.072 0.000 0.995 61 Y HN 0.479 8.992 8.280 0.387 0.000 0.491 62 G N -6.806 102.193 108.800 0.330 0.000 2.220 62 G HA2 -0.125 4.320 3.960 0.307 0.000 0.232 62 G HA3 -0.125 4.053 3.960 0.364 0.000 0.232 62 G C -3.054 172.105 174.900 0.431 0.000 1.680 62 G CA -0.032 45.280 45.100 0.353 0.000 0.922 62 G HN -0.544 7.955 8.290 0.348 0.000 0.723 63 A N 2.613 125.621 122.820 0.313 0.000 2.594 63 A HA 0.521 4.843 4.320 0.003 0.000 0.291 63 A C -2.596 174.708 177.584 -0.466 0.000 1.105 63 A CA -1.007 51.019 52.037 -0.019 0.000 0.694 63 A CB 3.803 22.798 19.000 -0.008 0.000 1.291 63 A HN 0.357 8.960 8.150 0.270 -0.291 0.410 64 Q N -0.016 119.171 119.800 -1.021 0.000 2.241 64 Q HA 0.128 3.988 4.340 -1.086 -0.172 0.254 64 Q C -1.084 174.634 176.000 -0.471 0.000 0.917 64 Q CA -1.209 53.950 55.803 -1.072 0.000 0.919 64 Q CB 2.311 30.188 28.738 -1.435 0.000 1.237 64 Q HN 0.250 7.943 8.270 -0.961 0.000 0.434 65 D N 5.205 125.417 120.400 -0.314 0.000 2.317 65 D HA -0.003 4.564 4.640 -0.122 0.000 0.252 65 D C -0.249 175.968 176.300 -0.139 0.000 1.174 65 D CA -0.122 53.784 54.000 -0.156 0.000 0.866 65 D CB 1.735 42.480 40.800 -0.090 0.000 1.127 65 D HN 0.051 8.229 8.370 -0.319 0.000 0.467 66 D N 6.171 126.514 120.400 -0.094 0.000 2.317 66 D HA -0.078 4.507 4.640 -0.091 0.000 0.211 66 D C 0.988 177.265 176.300 -0.037 0.000 0.966 66 D CA 2.124 56.083 54.000 -0.069 0.000 0.876 66 D CB 0.065 40.840 40.800 -0.041 0.000 0.927 66 D HN 0.289 8.616 8.370 -0.072 0.000 0.519 67 V N 0.375 120.272 119.914 -0.028 0.000 2.302 67 V HA -0.270 3.845 4.120 -0.008 0.000 0.243 67 V C 1.046 177.131 176.094 -0.015 0.000 1.036 67 V CA 2.488 64.780 62.300 -0.013 0.000 1.020 67 V CB 0.561 32.381 31.823 -0.005 0.000 0.657 67 V HN 0.107 8.523 8.190 -0.029 -0.243 0.453 68 N N -1.754 116.934 118.700 -0.021 0.000 2.236 68 N HA 0.018 4.755 4.740 -0.005 0.000 0.196 68 N C 0.953 176.454 175.510 -0.015 0.000 1.114 68 N CA -0.490 52.554 53.050 -0.011 0.000 0.859 68 N CB 0.561 39.046 38.487 -0.003 0.000 0.982 68 N HN -0.429 8.171 8.380 -0.027 -0.237 0.493 69 G N 0.138 108.911 108.800 -0.046 0.000 2.184 69 G HA2 -0.512 3.450 3.960 -0.092 0.000 0.264 69 G HA3 -0.512 3.440 3.960 -0.014 0.000 0.264 69 G C -0.677 174.187 174.900 -0.059 0.000 0.975 69 G CA 0.512 45.580 45.100 -0.055 0.000 0.642 69 G HN -0.069 8.183 8.290 -0.063 0.000 0.536 70 Q N -0.310 119.462 119.800 -0.046 0.000 2.293 70 Q HA 0.056 4.460 4.340 0.107 0.000 0.251 70 Q C -0.494 175.477 176.000 -0.048 0.000 0.930 70 Q CA -0.517 55.300 55.803 0.024 0.000 0.893 70 Q CB 1.221 29.983 28.738 0.041 0.000 1.215 70 Q HN -0.348 8.158 8.270 -0.046 -0.264 0.425 71 W N 1.177 122.490 121.300 0.021 0.000 2.332 71 W HA 0.410 5.285 4.660 0.031 -0.197 0.351 71 W C 0.047 176.580 176.519 0.024 0.000 1.195 71 W CA -0.363 56.997 57.345 0.025 0.000 1.334 71 W CB 1.941 31.412 29.460 0.018 0.000 1.206 71 W HN 0.326 8.758 8.180 0.419 0.000 0.637 72 N N -2.960 115.925 118.700 0.309 0.000 3.038 72 N HA 0.148 4.985 4.740 0.161 0.000 0.307 72 N C 0.029 175.655 175.510 0.193 0.000 1.441 72 N CA -1.810 51.355 53.050 0.191 0.000 0.772 72 N CB 1.955 40.514 38.487 0.120 0.000 1.651 72 N HN -0.247 8.356 8.380 0.370 0.000 0.593 73 G N -2.232 106.636 108.800 0.115 0.000 2.601 73 G HA2 -0.446 3.812 3.960 0.036 0.000 0.252 73 G HA3 -0.446 3.618 3.960 0.102 -0.043 0.252 73 G C 0.345 175.263 174.900 0.030 0.000 1.294 73 G CA 0.566 45.709 45.100 0.072 0.000 0.912 73 G HN -0.019 8.726 8.290 0.092 -0.400 0.574 74 M N 1.920 121.513 119.600 -0.011 0.000 2.229 74 M HA -0.405 4.031 4.480 -0.072 0.000 0.264 74 M C 2.389 178.650 176.300 -0.064 0.000 1.063 74 M CA 3.858 59.123 55.300 -0.059 0.000 1.114 74 M CB 0.241 32.785 32.600 -0.092 0.000 1.387 74 M HN -0.302 7.979 8.290 -0.015 0.000 0.420 75 V N -0.575 119.323 119.914 -0.027 0.000 2.287 75 V HA -0.598 3.391 4.120 -0.218 0.000 0.248 75 V C 1.529 177.547 176.094 -0.127 0.000 1.053 75 V CA 4.192 66.411 62.300 -0.134 0.000 1.027 75 V CB -0.406 31.329 31.823 -0.147 0.000 0.646 75 V HN -0.532 7.682 8.190 0.040 0.000 0.447 76 R N -1.378 119.134 120.500 0.020 0.000 2.096 76 R HA -0.345 4.013 4.340 0.031 0.000 0.235 76 R C 1.884 178.181 176.300 -0.005 0.000 1.127 76 R CA 2.664 58.791 56.100 0.046 0.000 0.968 76 R CB -0.818 29.564 30.300 0.136 0.000 0.861 76 R HN -0.702 7.626 8.270 0.097 0.000 0.440 77 E N -0.680 119.505 120.200 -0.024 0.000 2.085 77 E HA -0.309 4.031 4.350 -0.018 0.000 0.194 77 E C 2.590 179.148 176.600 -0.069 0.000 0.994 77 E CA 2.830 59.207 56.400 -0.040 0.000 0.801 77 E CB -0.598 29.067 29.700 -0.058 0.000 0.743 77 E HN -0.597 7.750 8.360 -0.022 0.000 0.453 78 L N -0.953 120.197 121.223 -0.121 0.000 2.027 78 L HA -0.215 4.011 4.340 -0.190 0.000 0.206 78 L C 3.202 179.999 176.870 -0.122 0.000 1.074 78 L CA 2.785 57.520 54.840 -0.174 0.000 0.745 78 L CB -0.036 41.876 42.059 -0.245 0.000 0.898 78 L HN -0.495 7.655 8.230 -0.132 0.000 0.433 79 I N -0.620 119.886 120.570 -0.107 0.000 2.208 79 I HA -0.451 3.689 4.170 -0.050 0.000 0.245 79 I C 1.599 177.767 176.117 0.086 0.000 1.097 79 I CA 3.607 64.881 61.300 -0.044 0.000 1.363 79 I CB -0.080 37.861 38.000 -0.097 0.000 1.051 79 I HN -0.261 7.865 8.210 -0.140 0.000 0.413 80 D N -4.124 116.316 120.400 0.066 0.000 2.340 80 D HA 0.053 4.730 4.640 0.062 0.000 0.220 80 D C -0.823 175.573 176.300 0.160 0.000 1.039 80 D CA 0.404 54.453 54.000 0.082 0.000 0.866 80 D CB -0.166 40.660 40.800 0.043 0.000 0.913 80 D HN -0.533 7.844 8.370 0.027 0.009 0.523 81 H N -4.765 114.272 119.070 -0.055 0.000 2.791 81 H HA -0.347 4.170 4.556 -0.064 0.000 0.302 81 H C 0.031 175.332 175.328 -0.045 0.000 1.198 81 H CA 1.215 57.231 56.048 -0.053 0.000 1.145 81 H CB -2.502 27.236 29.762 -0.040 0.000 1.385 81 H HN -0.275 7.938 8.280 0.189 0.181 0.409 82 K N -4.060 116.361 120.400 0.036 0.000 2.400 82 K HA 0.049 4.379 4.320 0.017 0.000 0.194 82 K C -1.199 175.379 176.600 -0.037 0.000 1.033 82 K CA -0.759 55.530 56.287 0.004 0.000 1.021 82 K CB 0.321 32.822 32.500 0.001 0.000 0.808 82 K HN -0.186 8.053 8.250 0.024 0.026 0.505 83 A N -3.531 119.242 122.820 -0.079 0.000 2.515 83 A HA 0.183 4.442 4.320 -0.102 0.000 0.298 83 A C -2.019 175.457 177.584 -0.180 0.000 1.059 83 A CA -0.896 51.069 52.037 -0.120 0.000 0.698 83 A CB 2.730 21.652 19.000 -0.130 0.000 1.289 83 A HN -0.875 7.184 8.150 -0.091 0.036 0.404 84 D N 0.328 120.605 120.400 -0.206 0.000 2.183 84 D HA 0.024 4.503 4.640 -0.269 0.000 0.205 84 D C -0.325 175.787 176.300 -0.313 0.000 0.962 84 D CA 3.265 57.099 54.000 -0.276 0.000 0.849 84 D CB 1.829 42.434 40.800 -0.326 0.000 0.978 84 D HN -0.055 8.202 8.370 -0.188 0.000 0.488 85 L N -3.978 117.069 121.223 -0.294 0.000 2.434 85 L HA 0.645 5.009 4.340 -0.259 -0.180 0.260 85 L C -2.682 174.059 176.870 -0.215 0.000 0.983 85 L CA -1.426 53.248 54.840 -0.275 0.000 0.820 85 L CB 5.238 47.098 42.059 -0.333 0.000 1.361 85 L HN -0.715 7.356 8.230 -0.266 0.000 0.410 86 A N 1.109 123.819 122.820 -0.183 0.000 2.267 86 A HA 0.830 5.269 4.320 -0.158 -0.214 0.315 86 A C -1.454 176.071 177.584 -0.097 0.000 1.297 86 A CA -1.765 50.185 52.037 -0.145 0.000 0.865 86 A CB 1.844 20.763 19.000 -0.135 0.000 1.165 86 A HN 0.588 8.629 8.150 -0.181 0.000 0.513 87 V N 4.719 124.561 119.914 -0.120 0.000 2.304 87 V HA 0.357 4.463 4.120 -0.023 0.000 0.278 87 V C -2.000 174.035 176.094 -0.098 0.000 1.018 87 V CA -0.735 61.508 62.300 -0.094 0.000 0.814 87 V CB 0.478 32.203 31.823 -0.164 0.000 1.021 87 V HN -0.186 7.910 8.190 -0.155 0.000 0.440 88 A N 6.149 128.958 122.820 -0.017 0.000 2.540 88 A HA 0.368 4.627 4.320 -0.103 0.000 0.291 88 A C -2.910 174.600 177.584 -0.124 0.000 1.083 88 A CA -1.280 50.709 52.037 -0.081 0.000 0.650 88 A CB 1.722 20.652 19.000 -0.117 0.000 1.292 88 A HN 0.216 8.414 8.150 0.081 0.000 0.435 89 P HA 0.019 3.512 4.420 -1.544 0.000 0.237 89 P C -2.302 174.510 177.300 -0.812 0.000 1.788 89 P CA -0.162 62.168 63.100 -1.285 0.000 1.061 89 P CB -1.877 28.773 31.700 -1.749 0.000 1.967 90 L N 3.447 124.493 121.223 -0.296 0.000 2.262 90 L HA 0.136 4.562 4.340 0.143 0.000 0.288 90 L C -1.992 174.982 176.870 0.174 0.000 1.035 90 L CA -1.533 53.357 54.840 0.084 0.000 0.820 90 L CB 1.998 44.187 42.059 0.216 0.000 1.204 90 L HN -0.433 7.641 8.230 -0.198 0.037 0.424 91 A N 6.967 129.889 122.820 0.171 0.000 2.440 91 A HA 0.186 4.744 4.320 0.117 -0.168 0.251 91 A C -0.075 177.389 177.584 -0.200 0.000 1.089 91 A CA -0.774 51.302 52.037 0.065 0.000 0.779 91 A CB 0.482 19.496 19.000 0.024 0.000 1.022 91 A HN 0.406 8.638 8.150 0.137 0.000 0.492 92 I N 4.556 124.815 120.570 -0.518 0.000 2.379 92 I HA -0.033 2.959 4.170 -1.965 0.000 0.290 92 I C -0.697 175.152 176.117 -0.447 0.000 1.063 92 I CA 0.823 61.509 61.300 -1.022 0.000 1.351 92 I CB -0.455 37.042 38.000 -0.838 0.000 1.410 92 I HN -0.039 7.929 8.210 -0.404 0.000 0.505 93 T N 4.657 119.048 114.554 -0.272 0.000 2.906 93 T HA 0.355 4.685 4.350 -0.034 0.000 0.295 93 T C 0.273 175.018 174.700 0.075 0.000 1.075 93 T CA -2.840 59.245 62.100 -0.025 0.000 1.005 93 T CB 2.808 71.720 68.868 0.073 0.000 1.136 93 T HN -0.310 7.757 8.240 -0.289 0.000 0.498 94 Y N 3.979 124.284 120.300 0.010 0.000 2.081 94 Y HA -0.433 4.132 4.550 0.026 0.000 0.280 94 Y C 0.927 176.883 175.900 0.093 0.000 1.163 94 Y CA 3.627 61.750 58.100 0.037 0.000 1.135 94 Y CB -0.582 37.893 38.460 0.024 0.000 0.970 94 Y HN 0.376 8.812 8.280 0.259 0.000 0.498 95 V N -6.852 113.211 119.914 0.249 0.000 2.490 95 V HA -0.316 4.033 4.120 0.119 -0.158 0.250 95 V C 0.837 177.060 176.094 0.215 0.000 1.061 95 V CA 2.304 64.749 62.300 0.243 0.000 1.064 95 V CB -0.270 31.780 31.823 0.377 0.000 0.670 95 V HN -0.377 8.017 8.190 0.340 0.000 0.461 96 R N -1.174 119.438 120.500 0.187 0.000 2.093 96 R HA -0.219 3.973 4.340 -0.246 0.000 0.224 96 R C 2.110 178.429 176.300 0.030 0.000 1.101 96 R CA 3.175 59.298 56.100 0.040 0.000 0.979 96 R CB 0.082 30.534 30.300 0.254 0.000 0.877 96 R HN -0.842 7.560 8.270 0.219 0.000 0.441 97 E N -0.408 119.864 120.200 0.119 0.000 2.265 97 E HA -0.199 4.410 4.350 0.193 -0.143 0.196 97 E C 1.405 177.957 176.600 -0.081 0.000 0.996 97 E CA 1.978 58.429 56.400 0.086 0.000 0.832 97 E CB -0.395 29.343 29.700 0.064 0.000 0.756 97 E HN -0.305 8.120 8.360 0.108 0.000 0.491 98 E N -2.800 117.299 120.200 -0.168 0.000 2.204 98 E HA -0.209 4.037 4.350 -0.174 0.000 0.194 98 E C 1.421 177.945 176.600 -0.127 0.000 0.989 98 E CA 2.378 58.677 56.400 -0.169 0.000 0.824 98 E CB 0.493 30.083 29.700 -0.183 0.000 0.756 98 E HN -0.638 7.588 8.360 -0.183 0.025 0.477 99 V N -8.838 110.962 119.914 -0.189 0.000 3.572 99 V HA 0.194 4.212 4.120 -0.170 0.000 0.260 99 V C -0.970 174.949 176.094 -0.291 0.000 1.324 99 V CA 0.359 62.505 62.300 -0.257 0.000 1.068 99 V CB 2.379 33.936 31.823 -0.444 0.000 0.837 99 V HN -0.510 7.401 8.190 -0.216 0.149 0.450 100 I N -5.408 114.974 120.570 -0.313 0.000 3.206 100 I HA 0.322 4.324 4.170 -0.280 0.000 0.313 100 I C -2.406 173.544 176.117 -0.278 0.000 1.103 100 I CA -2.230 58.866 61.300 -0.339 0.000 0.985 100 I CB 3.032 40.735 38.000 -0.496 0.000 1.240 100 I HN -0.349 7.682 8.210 -0.298 0.000 0.464 101 D N -0.848 119.377 120.400 -0.292 0.000 2.228 101 D HA 0.679 5.449 4.640 -0.064 -0.169 0.247 101 D C -0.878 175.246 176.300 -0.293 0.000 0.995 101 D CA -1.622 52.279 54.000 -0.165 0.000 0.903 101 D CB 3.885 44.633 40.800 -0.088 0.000 1.205 101 D HN -0.210 7.973 8.370 -0.312 0.000 0.459 102 F N -0.885 119.041 119.950 -0.040 0.000 2.551 102 F HA 0.623 5.336 4.527 -0.012 -0.194 0.316 102 F C 0.441 176.245 175.800 0.007 0.000 1.089 102 F CA -1.478 56.512 58.000 -0.016 0.000 0.915 102 F CB 4.545 43.533 39.000 -0.019 0.000 1.186 102 F HN -0.417 8.224 8.300 0.277 -0.174 0.456 103 S N 2.451 118.297 115.700 0.243 0.000 2.587 103 S HA 0.111 4.664 4.470 0.139 0.000 0.260 103 S C 0.649 175.342 174.600 0.156 0.000 1.353 103 S CA -0.395 57.913 58.200 0.180 0.000 0.995 103 S CB 0.911 64.226 63.200 0.193 0.000 0.912 103 S HN 0.398 8.853 8.310 0.242 0.000 0.568 104 K N 0.480 120.945 120.400 0.108 0.000 2.286 104 K HA -0.009 4.330 4.320 0.032 0.000 0.256 104 K C -1.353 175.287 176.600 0.067 0.000 0.999 104 K CA -0.351 55.973 56.287 0.062 0.000 0.908 104 K CB -0.960 31.569 32.500 0.048 0.000 0.981 104 K HN -0.127 8.184 8.250 0.102 0.000 0.500 105 P HA 0.095 4.637 4.420 -0.152 -0.213 0.275 105 P C -0.792 176.531 177.300 0.038 0.000 1.227 105 P CA -0.381 62.668 63.100 -0.085 0.000 0.781 105 P CB 0.475 32.080 31.700 -0.159 0.000 0.906 106 F N -2.522 117.497 119.950 0.115 0.000 2.749 106 F HA 0.325 4.929 4.527 0.128 0.000 0.300 106 F C -0.934 174.958 175.800 0.155 0.000 1.103 106 F CA -1.235 56.860 58.000 0.158 0.000 1.342 106 F CB 1.296 40.436 39.000 0.233 0.000 1.098 106 F HN -0.048 8.002 8.300 -0.416 0.000 0.586 107 M N -1.677 117.855 119.600 -0.114 0.000 2.471 107 M HA 0.301 4.765 4.480 -0.026 0.000 0.284 107 M C -2.488 173.629 176.300 -0.305 0.000 1.203 107 M CA 0.041 55.273 55.300 -0.114 0.000 0.915 107 M CB 3.492 36.082 32.600 -0.017 0.000 1.734 107 M HN -0.807 7.261 8.290 -0.370 0.000 0.485 108 T N 4.740 119.138 114.554 -0.260 0.000 2.856 108 T HA 0.874 5.162 4.350 -0.350 -0.148 0.283 108 T C -1.021 173.493 174.700 -0.309 0.000 1.008 108 T CA -0.818 61.109 62.100 -0.289 0.000 0.997 108 T CB 1.040 69.798 68.868 -0.183 0.000 0.992 108 T HN -0.009 8.112 8.240 -0.197 0.000 0.454 109 L N -1.314 119.705 121.223 -0.341 0.000 2.947 109 L HA 0.644 4.844 4.340 -0.234 0.000 0.272 109 L C -2.616 174.091 176.870 -0.272 0.000 1.071 109 L CA -0.872 53.784 54.840 -0.306 0.000 0.987 109 L CB 2.013 43.827 42.059 -0.408 0.000 1.577 109 L HN 0.431 8.456 8.230 -0.343 0.000 0.373 110 G N -4.181 104.478 108.800 -0.234 0.000 2.660 110 G HA2 0.637 4.507 3.960 -0.287 0.000 0.290 110 G HA3 0.637 4.608 3.960 -0.232 -0.150 0.290 110 G C -2.310 172.451 174.900 -0.232 0.000 1.432 110 G CA -0.344 44.606 45.100 -0.249 0.000 0.807 110 G HN -0.413 7.757 8.290 -0.201 0.000 0.485 111 I N -0.485 119.903 120.570 -0.304 0.000 2.648 111 I HA -0.090 4.078 4.170 -0.206 -0.122 0.284 111 I C -1.323 174.676 176.117 -0.195 0.000 1.153 111 I CA 1.933 63.072 61.300 -0.268 0.000 1.426 111 I CB 0.066 37.826 38.000 -0.400 0.000 1.381 111 I HN 0.235 8.566 8.210 -0.389 -0.354 0.571 112 S N 4.130 119.758 115.700 -0.121 0.000 2.998 112 S HA 0.575 4.993 4.470 -0.086 0.000 0.321 112 S C -1.916 172.651 174.600 -0.056 0.000 1.171 112 S CA -2.588 55.567 58.200 -0.076 0.000 0.882 112 S CB 2.970 66.144 63.200 -0.044 0.000 1.301 112 S HN 0.500 8.746 8.310 -0.108 0.000 0.629 113 I N -0.118 120.439 120.570 -0.022 0.000 2.465 113 I HA 0.359 4.668 4.170 -0.036 -0.161 0.291 113 I C -1.877 174.283 176.117 0.072 0.000 1.014 113 I CA -0.842 60.451 61.300 -0.011 0.000 1.093 113 I CB 3.248 41.218 38.000 -0.049 0.000 1.267 113 I HN -0.074 8.131 8.210 -0.008 0.000 0.431 114 L N 7.992 129.299 121.223 0.141 0.000 2.282 114 L HA 0.664 5.276 4.340 0.196 -0.155 0.288 114 L C -2.519 174.540 176.870 0.314 0.000 1.033 114 L CA -1.418 53.559 54.840 0.228 0.000 0.807 114 L CB 2.609 44.850 42.059 0.305 0.000 1.209 114 L HN 0.482 8.794 8.230 0.138 0.000 0.423 115 Y N 6.549 126.909 120.300 0.101 0.000 2.705 115 Y HA 0.378 4.996 4.550 0.114 0.000 0.332 115 Y C -1.983 173.965 175.900 0.079 0.000 1.221 115 Y CA -1.980 56.174 58.100 0.090 0.000 1.059 115 Y CB 3.823 42.316 38.460 0.055 0.000 1.298 115 Y HN 0.459 8.905 8.280 0.277 0.000 0.459 116 R N 1.246 121.467 120.500 -0.465 0.000 2.643 116 R HA 0.022 4.395 4.340 -0.175 -0.138 0.270 116 R C 0.218 176.357 176.300 -0.268 0.000 1.061 116 R CA 0.444 56.323 56.100 -0.368 0.000 1.107 116 R CB 0.641 30.678 30.300 -0.437 0.000 0.999 116 R HN 0.443 8.137 8.270 -0.959 0.000 0.460 117 K N 2.280 122.610 120.400 -0.117 0.000 2.380 117 K HA -0.246 4.063 4.320 -0.018 0.000 0.267 117 K C 0.370 176.931 176.600 -0.064 0.000 0.990 117 K CA 1.039 57.294 56.287 -0.053 0.000 0.946 117 K CB 0.183 32.668 32.500 -0.025 0.000 0.937 117 K HN -0.084 8.111 8.250 -0.090 0.000 0.491 118 G N 1.701 110.493 108.800 -0.014 0.000 2.734 118 G HA2 -0.235 3.732 3.960 0.011 0.000 0.277 118 G HA3 -0.235 3.718 3.960 -0.013 0.000 0.277 118 G C -1.196 173.716 174.900 0.020 0.000 1.099 118 G CA 0.186 45.285 45.100 -0.001 0.000 1.218 118 G HN 0.570 8.864 8.290 0.006 0.000 0.554 119 T N 1.357 115.947 114.554 0.060 0.000 2.942 119 T HA 0.276 4.688 4.350 0.102 0.000 0.327 119 T C -1.954 172.800 174.700 0.089 0.000 1.360 119 T CA -3.028 59.140 62.100 0.113 0.000 1.055 119 T CB 1.179 70.208 68.868 0.267 0.000 1.261 119 T HN -0.644 7.631 8.240 0.058 0.000 0.485 120 P HA 0.225 4.670 4.420 0.042 0.000 0.245 120 P C -0.689 176.635 177.300 0.040 0.000 1.206 120 P CA 0.026 63.155 63.100 0.048 0.000 0.781 120 P CB 0.550 32.271 31.700 0.035 0.000 0.994 121 I N 1.439 122.042 120.570 0.055 0.000 2.587 121 I HA -0.363 3.915 4.170 -0.020 -0.119 0.284 121 I C -0.732 175.391 176.117 0.009 0.000 1.134 121 I CA -0.042 61.260 61.300 0.003 0.000 1.410 121 I CB -1.301 36.664 38.000 -0.059 0.000 1.392 121 I HN -0.486 7.737 8.210 0.095 0.044 0.545 122 D N 4.907 125.299 120.400 -0.013 0.000 2.500 122 D HA 0.142 4.789 4.640 0.011 0.000 0.217 122 D C -1.270 175.021 176.300 -0.014 0.000 1.159 122 D CA -0.185 53.813 54.000 -0.003 0.000 0.828 122 D CB 2.507 43.308 40.800 0.001 0.000 1.039 122 D HN -0.009 8.620 8.370 -0.026 -0.275 0.512 123 S N -5.212 110.466 115.700 -0.037 0.000 2.615 123 S HA 0.205 4.663 4.470 -0.019 0.000 0.268 123 S C -0.204 174.360 174.600 -0.061 0.000 1.146 123 S CA -1.798 56.383 58.200 -0.031 0.000 0.818 123 S CB 2.419 65.610 63.200 -0.014 0.000 1.111 123 S HN -0.770 7.506 8.310 -0.055 0.000 0.465 124 A N 1.419 124.230 122.820 -0.016 0.000 1.933 124 A HA -0.364 3.887 4.320 -0.116 0.000 0.218 124 A C 1.132 178.687 177.584 -0.049 0.000 1.175 124 A CA 3.013 55.041 52.037 -0.015 0.000 0.628 124 A CB -0.344 18.778 19.000 0.203 0.000 0.814 124 A HN 0.668 8.833 8.150 0.024 0.000 0.444 125 D N -2.454 117.931 120.400 -0.025 0.000 2.123 125 D HA -0.327 4.278 4.640 -0.058 0.000 0.196 125 D C 1.652 177.904 176.300 -0.080 0.000 0.992 125 D CA 2.951 56.918 54.000 -0.055 0.000 0.833 125 D CB -0.112 40.659 40.800 -0.048 0.000 0.954 125 D HN -0.144 8.224 8.370 -0.003 0.000 0.455 126 D N -0.845 119.506 120.400 -0.083 0.000 2.117 126 D HA -0.210 4.388 4.640 -0.070 0.000 0.197 126 D C 2.618 178.834 176.300 -0.139 0.000 0.987 126 D CA 2.806 56.752 54.000 -0.090 0.000 0.829 126 D CB -0.183 40.572 40.800 -0.076 0.000 0.961 126 D HN -0.627 7.699 8.370 -0.073 0.000 0.460 127 L N -1.245 119.845 121.223 -0.221 0.000 2.046 127 L HA -0.281 3.887 4.340 -0.286 0.000 0.208 127 L C 2.125 178.801 176.870 -0.324 0.000 1.077 127 L CA 2.777 57.408 54.840 -0.348 0.000 0.747 127 L CB -0.112 41.558 42.059 -0.648 0.000 0.896 127 L HN -0.658 7.440 8.230 -0.220 0.000 0.432 128 A N -2.063 120.592 122.820 -0.274 0.000 1.972 128 A HA -0.206 4.022 4.320 -0.153 0.000 0.219 128 A C 0.954 178.501 177.584 -0.062 0.000 1.169 128 A CA 2.249 54.199 52.037 -0.145 0.000 0.635 128 A CB -0.197 18.765 19.000 -0.064 0.000 0.810 128 A HN -0.200 7.806 8.150 -0.240 0.000 0.446 129 K N -3.970 116.388 120.400 -0.069 0.000 2.505 129 K HA -0.091 4.216 4.320 -0.021 0.000 0.192 129 K C -0.174 176.408 176.600 -0.031 0.000 1.025 129 K CA 0.208 56.473 56.287 -0.037 0.000 1.086 129 K CB -0.023 32.455 32.500 -0.037 0.000 0.840 129 K HN -0.523 7.645 8.250 -0.090 0.028 0.514 130 Q N -2.424 117.347 119.800 -0.048 0.000 2.553 130 Q HA 0.273 4.602 4.340 -0.017 0.000 0.293 130 Q C -1.581 174.379 176.000 -0.067 0.000 1.038 130 Q CA -0.914 54.866 55.803 -0.038 0.000 0.777 130 Q CB 1.565 30.281 28.738 -0.037 0.000 1.487 130 Q HN -0.545 7.615 8.270 -0.068 0.070 0.426 131 T N -8.994 105.540 114.554 -0.032 0.000 3.130 131 T HA 0.261 4.491 4.350 -0.200 0.000 0.288 131 T C 0.541 175.270 174.700 0.047 0.000 0.936 131 T CA -0.838 61.247 62.100 -0.025 0.000 0.897 131 T CB 1.237 70.181 68.868 0.126 0.000 1.178 131 T HN -0.074 8.165 8.240 -0.002 0.000 0.543 132 K N 2.915 123.337 120.400 0.038 0.000 2.026 132 K HA -0.176 4.190 4.320 0.076 0.000 0.208 132 K C 0.372 177.022 176.600 0.083 0.000 1.048 132 K CA 1.555 57.880 56.287 0.064 0.000 0.929 132 K CB -0.018 32.514 32.500 0.054 0.000 0.713 132 K HN -0.310 8.014 8.250 0.022 -0.060 0.439 133 I N 0.762 121.365 120.570 0.056 0.000 2.337 133 I HA -0.118 4.271 4.170 0.137 -0.136 0.291 133 I C -0.426 175.723 176.117 0.054 0.000 1.046 133 I CA -0.088 61.257 61.300 0.076 0.000 1.324 133 I CB -0.188 37.811 38.000 -0.002 0.000 1.409 133 I HN -0.296 8.302 8.210 0.025 -0.373 0.494 134 E N 7.204 127.490 120.200 0.143 0.000 2.371 134 E HA 0.005 4.373 4.350 0.029 0.000 0.257 134 E C -1.512 175.084 176.600 -0.007 0.000 1.134 134 E CA -0.365 56.124 56.400 0.148 0.000 0.919 134 E CB 1.926 31.848 29.700 0.370 0.000 1.025 134 E HN -0.143 8.340 8.360 0.206 0.000 0.438 135 Y N -5.819 114.450 120.300 -0.052 0.000 2.581 135 Y HA 1.024 5.266 4.550 -0.867 -0.213 0.337 135 Y C -1.594 174.242 175.900 -0.106 0.000 1.108 135 Y CA -2.096 55.768 58.100 -0.393 0.000 1.033 135 Y CB 3.410 41.646 38.460 -0.374 0.000 1.318 135 Y HN -0.013 8.128 8.280 -0.231 0.000 0.459 136 G N -2.811 106.000 108.800 0.017 0.000 2.570 136 G HA2 0.513 4.583 3.960 0.182 0.000 0.310 136 G HA3 0.513 4.960 3.960 0.408 -0.241 0.310 136 G C -3.399 171.628 174.900 0.211 0.000 1.266 136 G CA -0.071 45.175 45.100 0.243 0.000 0.825 136 G HN -0.345 7.868 8.290 -0.129 0.000 0.483 137 A N -3.369 119.638 122.820 0.310 0.000 2.564 137 A HA 0.668 4.779 4.320 -0.348 0.000 0.291 137 A C -2.026 175.777 177.584 0.364 0.000 1.102 137 A CA -1.035 51.054 52.037 0.086 0.000 0.660 137 A CB 3.088 22.110 19.000 0.037 0.000 1.283 137 A HN -0.477 7.913 8.150 0.401 0.000 0.430 138 V N 0.010 120.095 119.914 0.285 0.000 2.529 138 V HA -0.150 4.363 4.120 0.376 -0.167 0.292 138 V C 0.001 176.238 176.094 0.238 0.000 1.028 138 V CA 0.629 63.115 62.300 0.311 0.000 1.074 138 V CB 0.222 32.194 31.823 0.248 0.000 0.958 138 V HN 0.551 8.820 8.190 0.132 0.000 0.481 139 E N 8.963 129.302 120.200 0.233 0.000 2.415 139 E HA -0.418 4.062 4.350 0.216 0.000 0.263 139 E C -0.360 176.355 176.600 0.191 0.000 0.995 139 E CA 1.593 58.115 56.400 0.203 0.000 0.915 139 E CB 0.515 30.318 29.700 0.171 0.000 0.951 139 E HN 0.089 8.589 8.360 0.234 0.000 0.449 140 D N 2.243 122.746 120.400 0.171 0.000 2.981 140 D HA -0.281 4.433 4.640 0.124 0.000 0.223 140 D C -0.944 175.471 176.300 0.193 0.000 1.151 140 D CA 1.966 56.060 54.000 0.156 0.000 0.827 140 D CB -1.073 39.813 40.800 0.143 0.000 1.101 140 D HN -0.211 8.262 8.370 0.172 0.000 0.426 141 G N -4.026 104.872 108.800 0.163 0.000 2.820 141 G HA2 0.342 4.402 3.960 0.166 0.000 0.291 141 G HA3 0.342 4.319 3.960 0.029 0.000 0.291 141 G C -1.101 173.846 174.900 0.079 0.000 1.323 141 G CA -1.491 43.674 45.100 0.109 0.000 1.055 141 G HN -0.938 7.402 8.290 0.152 0.041 0.520 142 A N -1.545 121.292 122.820 0.029 0.000 1.969 142 A HA -0.255 4.117 4.320 0.088 0.000 0.218 142 A C 2.163 179.779 177.584 0.055 0.000 1.169 142 A CA 3.222 55.287 52.037 0.048 0.000 0.635 142 A CB -0.588 18.421 19.000 0.015 0.000 0.810 142 A HN 0.587 8.714 8.150 -0.038 0.000 0.445 143 T N 1.969 116.543 114.554 0.034 0.000 2.737 143 T HA -0.415 3.980 4.350 0.076 0.000 0.265 143 T C 1.573 176.443 174.700 0.284 0.000 1.038 143 T CA 4.902 67.067 62.100 0.109 0.000 1.144 143 T CB -0.273 68.615 68.868 0.033 0.000 0.866 143 T HN -0.166 8.069 8.240 -0.007 0.000 0.434 144 M N 2.138 121.860 119.600 0.203 0.000 2.080 144 M HA -0.358 4.314 4.480 0.319 0.000 0.260 144 M C 1.399 177.711 176.300 0.020 0.000 1.068 144 M CA 3.372 58.794 55.300 0.205 0.000 1.109 144 M CB -0.770 31.940 32.600 0.183 0.000 1.342 144 M HN 0.064 8.442 8.290 0.146 0.000 0.405 145 T N 1.549 116.104 114.554 0.001 0.000 2.904 145 T HA -0.377 3.837 4.350 -0.227 0.000 0.267 145 T C 1.733 176.363 174.700 -0.116 0.000 1.059 145 T CA 4.284 66.323 62.100 -0.102 0.000 1.137 145 T CB -0.300 68.564 68.868 -0.007 0.000 0.879 145 T HN -0.562 7.712 8.240 0.055 0.000 0.467 146 F N 3.435 123.290 119.950 -0.160 0.000 2.095 146 F HA -0.504 3.881 4.527 -0.236 0.000 0.298 146 F C 0.887 176.473 175.800 -0.357 0.000 1.104 146 F CA 3.997 61.834 58.000 -0.270 0.000 1.232 146 F CB 0.078 38.858 39.000 -0.365 0.000 0.987 146 F HN -0.310 8.092 8.300 0.169 0.000 0.475 147 F N -3.085 116.776 119.950 -0.149 0.000 2.146 147 F HA -0.519 3.882 4.527 -0.210 0.000 0.298 147 F C 2.474 177.977 175.800 -0.495 0.000 1.096 147 F CA 3.863 61.757 58.000 -0.177 0.000 1.275 147 F CB -0.251 38.874 39.000 0.209 0.000 1.008 147 F HN -0.599 7.850 8.300 0.248 0.000 0.480 148 K N -1.100 118.790 120.400 -0.849 0.000 2.103 148 K HA -0.332 2.446 4.320 -2.571 0.000 0.207 148 K C 1.249 177.449 176.600 -0.667 0.000 1.048 148 K CA 2.600 57.996 56.287 -1.485 0.000 0.930 148 K CB -0.145 31.524 32.500 -1.385 0.000 0.716 148 K HN -0.311 7.501 8.250 -0.729 0.000 0.444 149 K N -4.986 115.135 120.400 -0.465 0.000 2.379 149 K HA 0.040 4.207 4.320 -0.256 0.000 0.194 149 K C 0.111 176.521 176.600 -0.317 0.000 1.031 149 K CA -0.575 55.520 56.287 -0.319 0.000 1.037 149 K CB 0.067 32.413 32.500 -0.258 0.000 0.824 149 K HN -0.491 7.460 8.250 -0.475 0.014 0.516 150 S N 0.356 115.811 115.700 -0.409 0.000 2.549 150 S HA -0.052 4.162 4.470 -0.427 0.000 0.279 150 S C 0.345 174.843 174.600 -0.170 0.000 1.321 150 S CA 0.343 58.310 58.200 -0.388 0.000 1.054 150 S CB 0.939 63.828 63.200 -0.518 0.000 0.899 150 S HN -0.663 7.269 8.310 -0.453 0.107 0.497 151 K N 3.575 123.891 120.400 -0.140 0.000 2.379 151 K HA 0.059 4.344 4.320 -0.058 0.000 0.194 151 K C 0.051 176.611 176.600 -0.066 0.000 1.031 151 K CA -0.612 55.627 56.287 -0.080 0.000 1.037 151 K CB 0.022 32.474 32.500 -0.080 0.000 0.824 151 K HN 0.137 8.287 8.250 -0.166 0.000 0.516 152 I N 1.490 122.015 120.570 -0.076 0.000 2.648 152 I HA -0.115 3.988 4.170 -0.112 0.000 0.284 152 I C 1.229 177.272 176.117 -0.125 0.000 1.153 152 I CA -0.470 60.759 61.300 -0.118 0.000 1.426 152 I CB -0.634 37.261 38.000 -0.174 0.000 1.381 152 I HN -0.781 7.338 8.210 -0.081 0.042 0.571 153 S N 7.823 123.444 115.700 -0.132 0.000 2.356 153 S HA -0.312 4.136 4.470 -0.037 0.000 0.223 153 S C 1.894 176.444 174.600 -0.084 0.000 1.032 153 S CA 3.999 62.151 58.200 -0.081 0.000 1.005 153 S CB -0.650 62.506 63.200 -0.072 0.000 0.867 153 S HN 0.626 8.853 8.310 -0.140 0.000 0.449 154 T N 3.293 117.716 114.554 -0.218 0.000 2.684 154 T HA -0.332 3.969 4.350 -0.080 0.000 0.267 154 T C 1.698 176.423 174.700 0.041 0.000 1.036 154 T CA 4.948 66.939 62.100 -0.182 0.000 1.148 154 T CB -0.170 68.473 68.868 -0.376 0.000 0.863 154 T HN 0.014 8.068 8.240 -0.311 0.000 0.436 155 Y N -0.659 119.726 120.300 0.141 0.000 2.263 155 Y HA -0.149 4.687 4.550 0.477 0.000 0.292 155 Y C 1.916 178.003 175.900 0.311 0.000 1.130 155 Y CA -0.171 58.092 58.100 0.272 0.000 1.179 155 Y CB -1.359 37.110 38.460 0.015 0.000 0.998 155 Y HN -0.680 7.377 8.280 -0.371 0.000 0.532 156 D N 0.324 120.892 120.400 0.281 0.000 2.104 156 D HA -0.397 4.423 4.640 0.301 0.000 0.194 156 D C 1.939 178.412 176.300 0.287 0.000 0.994 156 D CA 3.619 57.771 54.000 0.254 0.000 0.830 156 D CB 0.101 40.974 40.800 0.122 0.000 0.959 156 D HN 0.044 8.516 8.370 0.170 0.000 0.452 157 K N -1.169 119.362 120.400 0.218 0.000 2.057 157 K HA -0.309 4.112 4.320 0.168 0.000 0.207 157 K C 2.434 179.201 176.600 0.278 0.000 1.049 157 K CA 3.100 59.503 56.287 0.193 0.000 0.931 157 K CB -0.039 32.534 32.500 0.122 0.000 0.714 157 K HN -0.535 7.819 8.250 0.174 0.000 0.440 158 M N -0.772 119.040 119.600 0.353 0.000 2.117 158 M HA -0.329 4.452 4.480 0.502 0.000 0.262 158 M C 2.062 178.638 176.300 0.459 0.000 1.065 158 M CA 3.682 59.246 55.300 0.440 0.000 1.114 158 M CB 0.269 33.066 32.600 0.330 0.000 1.361 158 M HN -0.439 8.066 8.290 0.358 0.000 0.408 159 W N -0.177 121.306 121.300 0.305 0.000 2.358 159 W HA -0.491 4.290 4.660 0.201 0.000 0.303 159 W C 1.050 177.669 176.519 0.167 0.000 1.208 159 W CA 2.892 60.375 57.345 0.230 0.000 1.274 159 W CB 0.513 30.110 29.460 0.229 0.000 1.138 159 W HN 0.008 8.596 8.180 0.679 0.000 0.515 160 A N -0.521 122.317 122.820 0.030 0.000 1.908 160 A HA -0.357 3.805 4.320 -0.263 0.000 0.218 160 A C 1.933 179.422 177.584 -0.159 0.000 1.181 160 A CA 2.925 54.892 52.037 -0.117 0.000 0.627 160 A CB -0.997 18.028 19.000 0.041 0.000 0.818 160 A HN -0.232 8.052 8.150 0.222 0.000 0.445 161 F N -0.104 119.749 119.950 -0.162 0.000 2.113 161 F HA -0.232 4.179 4.527 -0.193 0.000 0.297 161 F C 2.025 177.621 175.800 -0.340 0.000 1.103 161 F CA 3.353 61.223 58.000 -0.217 0.000 1.248 161 F CB 0.528 39.418 39.000 -0.184 0.000 0.999 161 F HN -0.773 7.671 8.300 0.240 0.000 0.475 162 M N -0.850 118.647 119.600 -0.171 0.000 2.117 162 M HA -0.542 3.792 4.480 -0.244 0.000 0.262 162 M C 1.751 177.714 176.300 -0.561 0.000 1.065 162 M CA 4.089 59.206 55.300 -0.306 0.000 1.114 162 M CB 0.360 32.886 32.600 -0.124 0.000 1.361 162 M HN -0.128 8.160 8.290 -0.003 0.000 0.408 163 S N -1.814 113.332 115.700 -0.923 0.000 2.368 163 S HA -0.246 3.780 4.470 -0.740 0.000 0.224 163 S C 2.878 177.195 174.600 -0.472 0.000 1.029 163 S CA 3.155 60.846 58.200 -0.848 0.000 0.988 163 S CB -0.537 61.982 63.200 -1.136 0.000 0.838 163 S HN 0.049 7.697 8.310 -1.103 0.000 0.462 164 S N 4.354 119.786 115.700 -0.447 0.000 2.370 164 S HA -0.261 4.047 4.470 -0.269 0.000 0.226 164 S C 1.504 175.890 174.600 -0.356 0.000 1.033 164 S CA 2.886 60.879 58.200 -0.346 0.000 1.011 164 S CB -0.233 62.774 63.200 -0.322 0.000 0.852 164 S HN -0.299 7.724 8.310 -0.479 0.000 0.457 165 R N -0.190 120.021 120.500 -0.482 0.000 2.466 165 R HA 0.261 4.403 4.340 -0.330 0.000 0.279 165 R C 0.940 177.085 176.300 -0.258 0.000 0.976 165 R CA -0.852 54.998 56.100 -0.416 0.000 1.081 165 R CB -0.188 29.718 30.300 -0.657 0.000 1.215 165 R HN -0.570 7.346 8.270 -0.590 0.000 0.546 166 R N -0.333 120.034 120.500 -0.222 0.000 2.127 166 R HA -0.312 4.007 4.340 -0.103 -0.041 0.238 166 R C 1.742 178.010 176.300 -0.053 0.000 1.134 166 R CA 3.203 59.231 56.100 -0.121 0.000 0.975 166 R CB -0.742 29.494 30.300 -0.108 0.000 0.865 166 R HN -0.808 7.248 8.270 -0.249 0.065 0.447 167 Q N -2.107 117.654 119.800 -0.065 0.000 2.291 167 Q HA -0.181 4.149 4.340 -0.017 0.000 0.206 167 Q C 1.272 177.253 176.000 -0.033 0.000 0.976 167 Q CA 1.906 57.687 55.803 -0.037 0.000 0.875 167 Q CB -1.093 27.619 28.738 -0.043 0.000 0.927 167 Q HN 0.383 8.600 8.270 -0.088 0.000 0.450 168 S N -2.553 113.118 115.700 -0.048 0.000 2.460 168 S HA 0.003 4.448 4.470 -0.042 0.000 0.226 168 S C 1.752 176.351 174.600 -0.002 0.000 1.057 168 S CA 1.661 59.838 58.200 -0.039 0.000 0.948 168 S CB 1.140 64.308 63.200 -0.052 0.000 0.822 168 S HN -0.367 7.873 8.310 -0.071 0.027 0.512 169 V N -4.332 115.609 119.914 0.046 0.000 3.471 169 V HA 0.168 4.456 4.120 0.280 0.000 0.258 169 V C -1.269 174.982 176.094 0.263 0.000 1.192 169 V CA 0.263 62.694 62.300 0.219 0.000 1.116 169 V CB 0.841 32.806 31.823 0.238 0.000 0.792 169 V HN -0.435 7.753 8.190 -0.003 0.000 0.459 170 L N 0.044 121.364 121.223 0.162 0.000 2.305 170 L HA 0.332 5.038 4.340 0.286 -0.195 0.281 170 L C 0.470 177.444 176.870 0.173 0.000 1.085 170 L CA -0.226 54.738 54.840 0.207 0.000 0.813 170 L CB 0.523 42.685 42.059 0.173 0.000 1.157 170 L HN -0.734 7.553 8.230 0.095 0.000 0.436 171 V N -4.303 115.746 119.914 0.225 0.000 3.113 171 V HA 0.605 4.837 4.120 0.092 -0.057 0.316 171 V C -1.239 174.954 176.094 0.166 0.000 1.125 171 V CA -3.235 59.155 62.300 0.149 0.000 1.026 171 V CB 3.530 35.409 31.823 0.094 0.000 1.080 171 V HN 0.268 8.640 8.190 0.303 0.000 0.444 172 K N -0.223 120.247 120.400 0.117 0.000 2.400 172 K HA -0.055 4.353 4.320 0.147 0.000 0.194 172 K C -1.005 175.693 176.600 0.164 0.000 1.033 172 K CA 0.921 57.286 56.287 0.130 0.000 1.021 172 K CB 0.772 33.325 32.500 0.089 0.000 0.808 172 K HN 0.289 9.246 8.250 0.081 -0.659 0.505 173 S N -7.355 108.445 115.700 0.167 0.000 2.587 173 S HA 0.125 4.750 4.470 0.259 0.000 0.269 173 S C -0.716 174.004 174.600 0.201 0.000 1.154 173 S CA -1.531 56.788 58.200 0.198 0.000 0.824 173 S CB 2.922 66.202 63.200 0.134 0.000 1.118 173 S HN -0.918 7.477 8.310 0.141 0.000 0.462 174 N N 1.647 120.501 118.700 0.257 0.000 2.149 174 N HA -0.397 4.617 4.740 0.457 0.000 0.188 174 N C 1.562 177.118 175.510 0.076 0.000 1.019 174 N CA 3.311 56.532 53.050 0.285 0.000 0.857 174 N CB -0.235 38.440 38.487 0.313 0.000 0.997 174 N HN 0.657 9.199 8.380 0.269 0.000 0.426 175 E N 0.767 121.009 120.200 0.070 0.000 2.110 175 E HA -0.441 3.930 4.350 0.036 0.000 0.193 175 E C 1.731 178.300 176.600 -0.051 0.000 0.988 175 E CA 3.550 59.964 56.400 0.024 0.000 0.804 175 E CB -0.331 29.396 29.700 0.045 0.000 0.745 175 E HN 0.360 8.772 8.360 0.099 0.007 0.458 176 E N -1.355 118.805 120.200 -0.067 0.000 2.106 176 E HA -0.286 4.005 4.350 -0.099 0.000 0.192 176 E C 2.661 179.095 176.600 -0.278 0.000 0.984 176 E CA 2.188 58.516 56.400 -0.121 0.000 0.806 176 E CB -0.257 29.403 29.700 -0.066 0.000 0.750 176 E HN -0.626 7.720 8.360 -0.024 0.000 0.458 177 G N -0.219 108.274 108.800 -0.510 0.000 2.418 177 G HA2 -0.265 3.140 3.960 -0.924 0.000 0.217 177 G HA3 -0.265 2.194 3.960 -2.502 0.000 0.217 177 G C 1.038 175.554 174.900 -0.640 0.000 1.158 177 G CA 1.952 46.348 45.100 -1.172 0.000 0.771 177 G HN -0.484 7.467 8.290 -0.429 0.081 0.545 178 I N 2.130 122.491 120.570 -0.348 0.000 2.226 178 I HA -0.633 3.529 4.170 -0.012 0.000 0.245 178 I C 1.763 177.841 176.117 -0.065 0.000 1.100 178 I CA 4.074 65.324 61.300 -0.083 0.000 1.374 178 I CB -0.184 37.821 38.000 0.008 0.000 1.057 178 I HN -0.166 7.857 8.210 -0.312 0.000 0.413 179 Q N -1.897 117.843 119.800 -0.100 0.000 2.124 179 Q HA -0.309 4.004 4.340 -0.045 0.000 0.202 179 Q C 3.068 179.005 176.000 -0.106 0.000 0.977 179 Q CA 2.809 58.565 55.803 -0.079 0.000 0.850 179 Q CB -0.832 27.861 28.738 -0.075 0.000 0.901 179 Q HN -0.433 7.765 8.270 -0.120 0.000 0.429 180 R N -0.211 120.168 120.500 -0.201 0.000 2.092 180 R HA -0.171 4.022 4.340 -0.245 0.000 0.231 180 R C 2.573 178.838 176.300 -0.057 0.000 1.119 180 R CA 2.213 58.139 56.100 -0.289 0.000 0.970 180 R CB -0.256 29.573 30.300 -0.785 0.000 0.864 180 R HN -0.454 7.580 8.270 -0.256 0.082 0.440 181 V N 0.381 120.370 119.914 0.124 0.000 2.392 181 V HA -0.412 4.121 4.120 0.414 -0.165 0.249 181 V C 2.173 178.336 176.094 0.116 0.000 1.059 181 V CA 3.965 66.422 62.300 0.262 0.000 1.051 181 V CB -0.106 31.880 31.823 0.272 0.000 0.658 181 V HN -0.320 7.918 8.190 0.079 0.000 0.455 182 L N -4.529 116.723 121.223 0.048 0.000 2.418 182 L HA -0.141 4.208 4.340 0.016 0.000 0.218 182 L C 1.527 178.402 176.870 0.008 0.000 1.125 182 L CA 2.354 57.205 54.840 0.019 0.000 0.835 182 L CB -0.048 42.016 42.059 0.008 0.000 0.953 182 L HN -0.568 7.579 8.230 0.029 0.101 0.454 183 T N -6.881 107.675 114.554 0.003 0.000 3.043 183 T HA 0.096 4.445 4.350 -0.002 0.000 0.272 183 T C 0.032 174.736 174.700 0.007 0.000 0.990 183 T CA -0.242 61.855 62.100 -0.006 0.000 0.897 183 T CB 0.552 69.403 68.868 -0.027 0.000 1.111 183 T HN -0.367 7.835 8.240 0.001 0.039 0.529 184 S N 1.094 116.817 115.700 0.038 0.000 2.656 184 S HA 0.129 4.636 4.470 0.061 0.000 0.273 184 S C -1.720 172.978 174.600 0.163 0.000 1.168 184 S CA -0.933 57.312 58.200 0.075 0.000 0.817 184 S CB 2.427 65.653 63.200 0.044 0.000 1.146 184 S HN -0.647 7.696 8.310 0.054 0.000 0.475 185 D N 2.332 122.847 120.400 0.191 0.000 2.470 185 D HA 0.101 4.909 4.640 0.280 0.000 0.226 185 D C -1.953 174.580 176.300 0.388 0.000 1.196 185 D CA -0.046 54.116 54.000 0.270 0.000 0.979 185 D CB -1.072 39.852 40.800 0.206 0.000 1.059 185 D HN 0.249 8.713 8.370 0.157 0.000 0.515 186 Y N 4.575 125.063 120.300 0.312 0.000 2.479 186 Y HA 0.547 5.461 4.550 0.229 -0.226 0.338 186 Y C -2.856 173.273 175.900 0.381 0.000 1.055 186 Y CA -0.967 57.297 58.100 0.273 0.000 1.023 186 Y CB 3.792 42.365 38.460 0.188 0.000 1.287 186 Y HN -0.678 7.937 8.280 0.559 0.000 0.447 187 A N 6.477 129.195 122.820 -0.170 0.000 2.330 187 A HA 0.556 5.128 4.320 0.210 -0.126 0.327 187 A C -2.658 174.767 177.584 -0.266 0.000 1.155 187 A CA -2.365 49.598 52.037 -0.123 0.000 0.803 187 A CB 2.968 21.740 19.000 -0.380 0.000 1.208 187 A HN 0.684 8.624 8.150 -0.350 0.000 0.477 188 F N 4.203 124.076 119.950 -0.128 0.000 2.427 188 F HA 0.382 4.826 4.527 -0.138 0.000 0.346 188 F C -2.159 173.642 175.800 0.001 0.000 1.120 188 F CA -2.929 55.053 58.000 -0.031 0.000 1.033 188 F CB 3.674 42.801 39.000 0.211 0.000 1.126 188 F HN 0.230 8.702 8.300 0.288 0.000 0.462 189 L N 8.865 129.812 121.223 -0.460 0.000 2.315 189 L HA 0.448 4.829 4.340 -0.236 -0.182 0.283 189 L C -1.157 175.346 176.870 -0.612 0.000 1.089 189 L CA -0.418 54.189 54.840 -0.388 0.000 0.833 189 L CB -0.872 41.033 42.059 -0.257 0.000 1.170 189 L HN 0.467 8.427 8.230 -0.449 0.000 0.442 190 M N 3.133 122.536 119.600 -0.328 0.000 2.520 190 M HA 0.415 4.713 4.480 -0.304 0.000 0.283 190 M C -2.281 173.970 176.300 -0.081 0.000 1.237 190 M CA -0.963 54.204 55.300 -0.220 0.000 0.885 190 M CB 4.236 36.836 32.600 0.001 0.000 1.727 190 M HN 0.373 8.543 8.290 -0.201 0.000 0.468 191 E N 2.373 122.559 120.200 -0.022 0.000 2.354 191 E HA 0.060 4.505 4.350 -0.072 -0.138 0.269 191 E C 1.319 177.953 176.600 0.057 0.000 1.036 191 E CA 0.185 56.581 56.400 -0.007 0.000 0.876 191 E CB 0.871 30.593 29.700 0.038 0.000 1.009 191 E HN 0.572 8.932 8.360 0.001 0.000 0.416 192 S N 4.633 120.335 115.700 0.003 0.000 2.399 192 S HA -0.322 4.178 4.470 0.050 0.000 0.231 192 S C 1.628 176.297 174.600 0.115 0.000 1.022 192 S CA 3.790 62.010 58.200 0.033 0.000 0.983 192 S CB 0.090 63.270 63.200 -0.032 0.000 0.803 192 S HN 0.325 8.601 8.310 -0.057 0.000 0.480 193 T N -1.504 113.135 114.554 0.143 0.000 2.867 193 T HA -0.180 4.288 4.350 0.197 0.000 0.268 193 T C 1.680 176.711 174.700 0.551 0.000 1.057 193 T CA 2.757 65.024 62.100 0.279 0.000 1.136 193 T CB -0.360 68.642 68.868 0.223 0.000 0.874 193 T HN 0.036 8.330 8.240 0.091 0.000 0.466 194 T N 5.028 119.853 114.554 0.450 0.000 2.812 194 T HA -0.245 4.384 4.350 0.465 0.000 0.264 194 T C 1.459 176.382 174.700 0.371 0.000 1.042 194 T CA 4.862 67.216 62.100 0.422 0.000 1.140 194 T CB -0.106 68.968 68.868 0.342 0.000 0.870 194 T HN -0.779 7.668 8.240 0.367 0.013 0.445 195 I N 1.761 122.501 120.570 0.283 0.000 2.208 195 I HA -0.508 3.805 4.170 0.238 0.000 0.245 195 I C 1.492 177.755 176.117 0.244 0.000 1.097 195 I CA 4.416 65.856 61.300 0.233 0.000 1.363 195 I CB -0.324 37.774 38.000 0.163 0.000 1.051 195 I HN -0.295 8.061 8.210 0.244 0.000 0.413 196 E N 0.422 120.793 120.200 0.284 0.000 2.058 196 E HA -0.373 4.096 4.350 0.199 0.000 0.194 196 E C 2.244 179.044 176.600 0.333 0.000 0.997 196 E CA 2.996 59.567 56.400 0.285 0.000 0.801 196 E CB -0.100 29.782 29.700 0.304 0.000 0.746 196 E HN -0.445 8.092 8.360 0.295 0.000 0.450 197 F N 0.211 120.340 119.950 0.297 0.000 2.102 197 F HA -0.328 4.249 4.527 0.083 0.000 0.298 197 F C 1.995 177.832 175.800 0.063 0.000 1.105 197 F CA 3.548 61.601 58.000 0.089 0.000 1.239 197 F CB 0.269 39.174 39.000 -0.159 0.000 0.991 197 F HN -0.833 7.864 8.300 0.662 0.000 0.474 198 V N -1.670 118.382 119.914 0.231 0.000 2.358 198 V HA -0.608 3.580 4.120 0.112 0.000 0.246 198 V C 1.608 177.726 176.094 0.041 0.000 1.047 198 V CA 4.282 66.665 62.300 0.138 0.000 1.035 198 V CB 0.039 31.991 31.823 0.216 0.000 0.658 198 V HN -0.130 8.265 8.190 0.341 0.000 0.452 199 T N -3.667 110.928 114.554 0.069 0.000 3.023 199 T HA -0.238 4.137 4.350 0.042 0.000 0.266 199 T C 1.616 176.315 174.700 -0.002 0.000 1.093 199 T CA 2.582 64.709 62.100 0.044 0.000 1.129 199 T CB 0.119 69.029 68.868 0.071 0.000 0.899 199 T HN -0.218 8.088 8.240 0.110 0.000 0.491 200 Q N -0.508 119.266 119.800 -0.043 0.000 2.435 200 Q HA -0.178 4.141 4.340 -0.035 0.000 0.207 200 Q C 0.962 176.888 176.000 -0.123 0.000 0.956 200 Q CA 1.741 57.500 55.803 -0.073 0.000 0.917 200 Q CB 0.112 28.809 28.738 -0.069 0.000 0.997 200 Q HN -0.651 7.569 8.270 -0.048 0.021 0.497 201 R N -5.512 114.892 120.500 -0.159 0.000 2.404 201 R HA 0.095 4.355 4.340 -0.134 0.000 0.237 201 R C -0.540 175.718 176.300 -0.070 0.000 0.907 201 R CA 0.009 56.020 56.100 -0.147 0.000 1.063 201 R CB 1.479 31.636 30.300 -0.239 0.000 1.134 201 R HN -0.748 7.277 8.270 -0.158 0.150 0.529 202 N N -0.034 118.642 118.700 -0.040 0.000 2.540 202 N HA 0.156 4.886 4.740 -0.016 0.000 0.275 202 N C -0.673 174.834 175.510 -0.005 0.000 1.053 202 N CA -0.763 52.279 53.050 -0.013 0.000 0.876 202 N CB 1.549 40.040 38.487 0.006 0.000 1.284 202 N HN -0.568 7.789 8.380 -0.039 0.000 0.518 203 c N 4.768 123.363 118.600 -0.009 0.000 2.576 203 c HA 0.061 4.629 4.570 -0.003 0.000 0.267 203 c C 0.455 174.542 174.090 -0.003 0.000 1.364 203 c CA 0.216 56.542 56.329 -0.005 0.000 1.723 203 c CB -1.301 41.204 42.510 -0.008 0.000 1.778 203 c HN 0.776 8.999 8.230 -0.012 0.000 0.572 204 N N -0.318 118.379 118.700 -0.005 0.000 2.412 204 N HA 0.030 4.760 4.740 -0.016 0.000 0.184 204 N C -1.004 174.498 175.510 -0.014 0.000 1.101 204 N CA 1.930 54.972 53.050 -0.013 0.000 0.881 204 N CB 0.798 39.275 38.487 -0.017 0.000 0.969 204 N HN -0.178 8.451 8.380 -0.004 -0.251 0.459 205 L N -2.311 118.916 121.223 0.008 0.000 2.330 205 L HA 0.656 5.138 4.340 0.015 -0.134 0.271 205 L C -0.987 175.911 176.870 0.046 0.000 1.013 205 L CA -0.937 53.921 54.840 0.030 0.000 0.816 205 L CB 2.827 44.921 42.059 0.059 0.000 1.287 205 L HN -0.702 7.480 8.230 0.012 0.055 0.435 206 T N -0.520 114.076 114.554 0.071 0.000 2.868 206 T HA 0.357 4.749 4.350 0.070 0.000 0.306 206 T C -2.140 172.626 174.700 0.108 0.000 1.224 206 T CA -1.976 60.172 62.100 0.079 0.000 1.012 206 T CB 2.672 71.579 68.868 0.065 0.000 1.221 206 T HN 0.466 8.758 8.240 0.086 0.000 0.499 207 Q N 4.508 124.363 119.800 0.092 0.000 2.314 207 Q HA 0.386 5.001 4.340 0.097 -0.217 0.258 207 Q C -0.614 175.432 176.000 0.076 0.000 0.954 207 Q CA 0.111 55.965 55.803 0.085 0.000 0.890 207 Q CB 1.096 29.872 28.738 0.065 0.000 1.210 207 Q HN 0.215 8.533 8.270 0.079 0.000 0.410 208 I N 6.057 126.668 120.570 0.069 0.000 2.378 208 I HA 0.146 4.349 4.170 0.056 0.000 0.291 208 I C -0.572 175.554 176.117 0.016 0.000 0.992 208 I CA -1.820 59.510 61.300 0.049 0.000 1.154 208 I CB 0.233 38.262 38.000 0.048 0.000 1.315 208 I HN 0.271 8.520 8.210 0.066 0.000 0.448 209 G N 6.252 115.060 108.800 0.013 0.000 2.698 209 G HA2 -0.329 3.687 3.960 0.004 0.000 0.233 209 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.233 209 G C -1.104 173.796 174.900 -0.001 0.000 1.352 209 G CA -0.008 45.093 45.100 0.003 0.000 0.879 209 G HN 0.354 8.655 8.290 0.019 0.000 0.567 210 G N -2.038 106.756 108.800 -0.009 0.000 2.641 210 G HA2 0.179 4.128 3.960 -0.018 0.000 0.239 210 G HA3 0.179 4.126 3.960 -0.020 0.000 0.239 210 G C -0.934 173.941 174.900 -0.041 0.000 1.402 210 G CA -0.675 44.412 45.100 -0.021 0.000 1.046 210 G HN 0.125 8.412 8.290 -0.006 0.000 0.565 211 L N -1.402 119.785 121.223 -0.060 0.000 2.290 211 L HA -0.022 4.413 4.340 -0.114 -0.164 0.284 211 L C 0.567 177.365 176.870 -0.120 0.000 1.078 211 L CA -0.116 54.662 54.840 -0.103 0.000 0.815 211 L CB 0.900 42.891 42.059 -0.114 0.000 1.162 211 L HN 0.048 8.246 8.230 -0.054 0.000 0.435 212 I N 3.445 123.900 120.570 -0.191 0.000 2.716 212 I HA -0.135 3.979 4.170 -0.094 0.000 0.259 212 I C -0.307 175.626 176.117 -0.306 0.000 1.172 212 I CA 1.543 62.703 61.300 -0.234 0.000 1.478 212 I CB 0.633 38.383 38.000 -0.416 0.000 1.104 212 I HN 0.708 8.783 8.210 -0.226 0.000 0.439 213 D N -3.334 116.844 120.400 -0.370 0.000 2.825 213 D HA 0.095 4.596 4.640 -0.232 0.000 0.327 213 D C -2.152 173.992 176.300 -0.260 0.000 1.277 213 D CA -1.356 52.437 54.000 -0.347 0.000 0.950 213 D CB 1.824 42.270 40.800 -0.589 0.000 1.438 213 D HN -0.634 7.523 8.370 -0.355 0.000 0.526 214 S N -0.319 115.248 115.700 -0.221 0.000 2.571 214 S HA 0.562 5.082 4.470 -0.210 -0.176 0.284 214 S C -0.665 173.812 174.600 -0.205 0.000 1.128 214 S CA -1.242 56.841 58.200 -0.196 0.000 0.970 214 S CB 1.745 64.859 63.200 -0.143 0.000 1.039 214 S HN 0.034 8.221 8.310 -0.205 0.000 0.485 215 K N 4.006 124.260 120.400 -0.243 0.000 2.571 215 K HA 0.307 4.498 4.320 -0.215 0.000 0.289 215 K C -2.747 173.659 176.600 -0.323 0.000 1.028 215 K CA -1.316 54.819 56.287 -0.254 0.000 0.895 215 K CB 2.544 34.894 32.500 -0.250 0.000 1.534 215 K HN 0.453 8.544 8.250 -0.265 0.000 0.421 216 G N -2.625 105.977 108.800 -0.330 0.000 2.473 216 G HA2 0.645 4.487 3.960 -0.451 0.000 0.321 216 G HA3 0.645 4.411 3.960 -0.322 0.000 0.321 216 G C -2.068 172.585 174.900 -0.412 0.000 1.200 216 G CA -1.669 43.197 45.100 -0.391 0.000 0.963 216 G HN 0.121 8.232 8.290 -0.297 0.000 0.483 217 Y N -0.468 119.534 120.300 -0.497 0.000 2.323 217 Y HA 0.574 5.052 4.550 -0.438 -0.190 0.331 217 Y C -0.357 175.080 175.900 -0.771 0.000 1.092 217 Y CA -2.552 55.163 58.100 -0.642 0.000 1.150 217 Y CB 1.402 39.328 38.460 -0.889 0.000 1.200 217 Y HN -0.078 7.843 8.280 -0.598 0.000 0.472 218 G N -0.455 108.263 108.800 -0.137 0.000 2.642 218 G HA2 0.579 4.618 3.960 0.132 0.000 0.293 218 G HA3 0.579 4.658 3.960 0.199 0.000 0.293 218 G C -2.207 172.974 174.900 0.468 0.000 1.341 218 G CA -1.324 43.876 45.100 0.166 0.000 0.916 218 G HN -0.070 8.228 8.290 0.013 0.000 0.474 219 V N 0.988 121.178 119.914 0.460 0.000 2.508 219 V HA -0.131 4.285 4.120 0.263 -0.138 0.281 219 V C 0.007 176.183 176.094 0.137 0.000 1.041 219 V CA 0.646 63.109 62.300 0.272 0.000 1.016 219 V CB 0.607 32.532 31.823 0.170 0.000 0.984 219 V HN 0.015 8.473 8.190 0.446 0.000 0.478 220 G N 6.170 114.950 108.800 -0.034 0.000 2.420 220 G HA2 0.551 4.355 3.960 -0.538 0.000 0.284 220 G HA3 0.551 4.261 3.960 -0.417 0.000 0.284 220 G C -2.044 172.694 174.900 -0.270 0.000 1.177 220 G CA -1.198 43.700 45.100 -0.336 0.000 0.841 220 G HN 0.080 8.363 8.290 -0.010 0.000 0.527 221 T N -1.605 112.760 114.554 -0.315 0.000 2.883 221 T HA 0.715 4.918 4.350 -0.245 0.000 0.296 221 T C -2.506 172.028 174.700 -0.278 0.000 1.117 221 T CA -3.419 58.535 62.100 -0.244 0.000 1.006 221 T CB 1.842 70.626 68.868 -0.141 0.000 1.191 221 T HN 0.404 8.406 8.240 -0.397 0.000 0.508 222 P HA 0.008 4.273 4.420 -0.259 0.000 0.269 222 P C -0.730 176.466 177.300 -0.173 0.000 1.215 222 P CA 0.278 63.214 63.100 -0.274 0.000 0.780 222 P CB 0.527 31.924 31.700 -0.506 0.000 0.898 223 M N 4.259 123.785 119.600 -0.123 0.000 2.261 223 M HA -0.590 3.961 4.480 -0.097 -0.129 0.350 223 M C 1.272 177.551 176.300 -0.035 0.000 1.343 223 M CA 1.502 56.755 55.300 -0.079 0.000 1.003 223 M CB -0.251 32.312 32.600 -0.062 0.000 1.848 223 M HN 0.433 8.650 8.290 -0.121 0.000 0.456 224 G N 5.422 114.201 108.800 -0.035 0.000 2.176 224 G HA2 -0.471 3.478 3.960 -0.018 0.000 0.253 224 G HA3 -0.471 3.487 3.960 -0.003 0.000 0.253 224 G C -0.726 174.162 174.900 -0.021 0.000 0.979 224 G CA -0.288 44.802 45.100 -0.017 0.000 0.641 224 G HN 0.571 9.174 8.290 -0.042 -0.338 0.530 225 S N 2.093 117.772 115.700 -0.035 0.000 2.549 225 S HA 0.213 4.673 4.470 -0.016 0.000 0.286 225 S C 0.350 174.931 174.600 -0.031 0.000 1.314 225 S CA -2.273 55.914 58.200 -0.022 0.000 1.062 225 S CB 0.919 64.110 63.200 -0.015 0.000 0.865 225 S HN -0.548 7.685 8.310 -0.053 0.045 0.498 226 P HA 0.025 4.386 4.420 -0.100 0.000 0.229 226 P C 0.330 177.518 177.300 -0.187 0.000 1.160 226 P CA 1.210 64.219 63.100 -0.153 0.000 0.777 226 P CB 0.098 31.656 31.700 -0.235 0.000 0.814 227 Y N -1.359 118.906 120.300 -0.058 0.000 2.421 227 Y HA -0.316 4.214 4.550 -0.033 0.000 0.292 227 Y C 1.752 177.632 175.900 -0.034 0.000 1.136 227 Y CA 3.181 61.246 58.100 -0.058 0.000 1.255 227 Y CB -0.659 37.724 38.460 -0.128 0.000 0.991 227 Y HN -0.479 7.768 8.280 -0.001 0.033 0.552 228 R N -0.346 120.206 120.500 0.087 0.000 2.097 228 R HA -0.503 3.879 4.340 0.070 0.000 0.236 228 R C 1.484 177.823 176.300 0.066 0.000 1.135 228 R CA 4.537 60.675 56.100 0.062 0.000 0.934 228 R CB -0.326 29.991 30.300 0.027 0.000 0.846 228 R HN -0.817 7.459 8.270 0.058 0.029 0.431 229 D N -2.681 117.743 120.400 0.040 0.000 2.183 229 D HA -0.119 4.547 4.640 0.044 0.000 0.203 229 D C 2.276 178.604 176.300 0.046 0.000 0.969 229 D CA 3.085 57.107 54.000 0.036 0.000 0.842 229 D CB -0.671 40.138 40.800 0.015 0.000 0.957 229 D HN 0.107 8.490 8.370 0.022 0.000 0.484 230 K N 0.161 120.592 120.400 0.051 0.000 2.097 230 K HA -0.224 4.131 4.320 0.058 0.000 0.205 230 K C 2.521 179.189 176.600 0.114 0.000 1.050 230 K CA 3.310 59.642 56.287 0.076 0.000 0.938 230 K CB 0.066 32.614 32.500 0.079 0.000 0.718 230 K HN -0.898 7.375 8.250 0.040 0.000 0.442 231 I N -0.227 120.425 120.570 0.137 0.000 2.353 231 I HA -0.439 3.823 4.170 0.154 0.000 0.248 231 I C 1.494 177.679 176.117 0.114 0.000 1.119 231 I CA 3.852 65.236 61.300 0.141 0.000 1.417 231 I CB -0.129 37.957 38.000 0.143 0.000 1.078 231 I HN -0.045 8.248 8.210 0.139 0.000 0.421 232 T N 3.426 118.041 114.554 0.101 0.000 2.665 232 T HA -0.446 3.966 4.350 0.104 0.000 0.268 232 T C 1.768 176.507 174.700 0.066 0.000 1.035 232 T CA 5.564 67.716 62.100 0.088 0.000 1.151 232 T CB -0.155 68.755 68.868 0.071 0.000 0.862 232 T HN -0.382 7.916 8.240 0.097 0.000 0.438 233 L N -0.504 120.751 121.223 0.053 0.000 2.046 233 L HA -0.376 3.980 4.340 0.027 0.000 0.208 233 L C 1.686 178.565 176.870 0.016 0.000 1.077 233 L CA 3.196 58.056 54.840 0.033 0.000 0.747 233 L CB -0.453 41.624 42.059 0.030 0.000 0.896 233 L HN -0.538 7.727 8.230 0.057 0.000 0.432 234 A N -0.550 122.286 122.820 0.027 0.000 1.902 234 A HA -0.325 3.944 4.320 -0.085 0.000 0.217 234 A C 2.060 179.628 177.584 -0.027 0.000 1.181 234 A CA 3.071 55.094 52.037 -0.024 0.000 0.623 234 A CB -0.921 18.101 19.000 0.037 0.000 0.818 234 A HN -0.452 7.731 8.150 0.055 0.000 0.443 235 I N -1.373 119.221 120.570 0.040 0.000 2.226 235 I HA -0.630 3.578 4.170 0.062 0.000 0.245 235 I C 1.701 177.850 176.117 0.055 0.000 1.100 235 I CA 4.532 65.875 61.300 0.072 0.000 1.374 235 I CB -0.003 38.087 38.000 0.150 0.000 1.057 235 I HN -0.182 8.067 8.210 0.064 0.000 0.413 236 L N -1.256 119.992 121.223 0.041 0.000 2.046 236 L HA -0.523 3.840 4.340 0.039 0.000 0.208 236 L C 2.033 178.905 176.870 0.004 0.000 1.077 236 L CA 3.428 58.284 54.840 0.028 0.000 0.747 236 L CB -0.758 41.315 42.059 0.023 0.000 0.896 236 L HN -0.179 8.077 8.230 0.042 0.000 0.432 237 K N -0.433 119.950 120.400 -0.028 0.000 2.025 237 K HA -0.324 3.973 4.320 -0.039 0.000 0.207 237 K C 2.360 178.924 176.600 -0.060 0.000 1.049 237 K CA 3.437 59.688 56.287 -0.060 0.000 0.933 237 K CB -0.105 32.322 32.500 -0.121 0.000 0.714 237 K HN -0.557 7.673 8.250 -0.034 0.000 0.438 238 L N -1.424 119.758 121.223 -0.069 0.000 2.083 238 L HA -0.308 4.006 4.340 -0.043 0.000 0.209 238 L C 2.262 179.149 176.870 0.027 0.000 1.083 238 L CA 2.853 57.675 54.840 -0.030 0.000 0.752 238 L CB -0.304 41.744 42.059 -0.018 0.000 0.899 238 L HN -0.060 8.122 8.230 -0.080 0.000 0.433 239 Q N -0.991 118.836 119.800 0.045 0.000 2.050 239 Q HA -0.388 4.008 4.340 0.092 0.000 0.202 239 Q C 2.873 178.899 176.000 0.043 0.000 0.980 239 Q CA 3.232 59.075 55.803 0.066 0.000 0.840 239 Q CB -0.300 28.478 28.738 0.068 0.000 0.898 239 Q HN -0.076 8.218 8.270 0.040 0.000 0.424 240 E N -0.238 119.976 120.200 0.023 0.000 2.150 240 E HA -0.239 4.118 4.350 0.012 0.000 0.193 240 E C 2.093 178.700 176.600 0.013 0.000 0.985 240 E CA 2.334 58.741 56.400 0.012 0.000 0.814 240 E CB -0.062 29.641 29.700 0.005 0.000 0.752 240 E HN -0.517 7.853 8.360 0.017 0.000 0.466 241 E N -3.254 116.954 120.200 0.015 0.000 2.482 241 E HA -0.046 4.314 4.350 0.017 0.000 0.196 241 E C 0.407 177.029 176.600 0.037 0.000 1.047 241 E CA 0.222 56.635 56.400 0.021 0.000 0.869 241 E CB 0.330 30.040 29.700 0.018 0.000 0.836 241 E HN -0.495 7.857 8.360 0.011 0.014 0.520 242 G N -1.395 107.434 108.800 0.049 0.000 2.157 242 G HA2 -0.445 3.565 3.960 0.084 0.000 0.248 242 G HA3 -0.445 3.556 3.960 0.069 0.000 0.248 242 G C 0.681 175.653 174.900 0.121 0.000 0.979 242 G CA 1.039 46.187 45.100 0.081 0.000 0.650 242 G HN -0.041 8.102 8.290 0.047 0.175 0.529 243 K N 0.857 121.313 120.400 0.093 0.000 2.167 243 K HA -0.071 4.305 4.320 0.093 0.000 0.203 243 K C 1.591 178.254 176.600 0.105 0.000 1.052 243 K CA 1.641 57.981 56.287 0.088 0.000 0.956 243 K CB -0.212 32.325 32.500 0.061 0.000 0.735 243 K HN -0.209 8.050 8.250 0.073 0.035 0.451 244 L N -1.793 119.509 121.223 0.131 0.000 2.093 244 L HA -0.289 4.134 4.340 0.139 0.000 0.208 244 L C 1.630 178.649 176.870 0.248 0.000 1.085 244 L CA 3.155 58.107 54.840 0.187 0.000 0.755 244 L CB -0.671 41.527 42.059 0.232 0.000 0.904 244 L HN -0.776 7.529 8.230 0.123 0.000 0.435 245 H N -0.179 118.967 119.070 0.126 0.000 2.353 245 H HA -0.327 4.294 4.556 0.108 0.000 0.300 245 H C 1.772 177.173 175.328 0.122 0.000 1.090 245 H CA 3.725 59.838 56.048 0.107 0.000 1.327 245 H CB 0.205 30.006 29.762 0.065 0.000 1.383 245 H HN -0.195 8.260 8.280 0.293 0.000 0.508 246 M N -1.469 118.206 119.600 0.126 0.000 2.108 246 M HA -0.455 4.040 4.480 0.026 0.000 0.261 246 M C 2.374 178.720 176.300 0.076 0.000 1.066 246 M CA 4.429 59.768 55.300 0.066 0.000 1.107 246 M CB 0.099 32.757 32.600 0.096 0.000 1.356 246 M HN -0.519 7.891 8.290 0.201 0.000 0.406 247 M N -1.562 118.124 119.600 0.143 0.000 2.175 247 M HA -0.430 4.195 4.480 0.242 0.000 0.264 247 M C 1.977 178.595 176.300 0.530 0.000 1.063 247 M CA 4.197 59.651 55.300 0.257 0.000 1.119 247 M CB -0.159 32.460 32.600 0.032 0.000 1.377 247 M HN -0.223 8.147 8.290 0.134 0.000 0.415 248 K N -0.269 120.396 120.400 0.441 0.000 2.026 248 K HA -0.379 4.276 4.320 0.559 0.000 0.208 248 K C 1.681 178.454 176.600 0.287 0.000 1.048 248 K CA 3.400 59.889 56.287 0.337 0.000 0.929 248 K CB -0.421 32.041 32.500 -0.063 0.000 0.713 248 K HN -0.294 8.153 8.250 0.329 0.000 0.439 249 E N -0.762 119.459 120.200 0.035 0.000 2.077 249 E HA -0.468 3.908 4.350 0.044 0.000 0.193 249 E C 1.832 178.488 176.600 0.093 0.000 0.989 249 E CA 3.238 59.648 56.400 0.016 0.000 0.800 249 E CB -0.108 29.521 29.700 -0.119 0.000 0.746 249 E HN -0.373 7.932 8.360 -0.093 0.000 0.452 250 K N -1.093 119.339 120.400 0.053 0.000 2.057 250 K HA -0.266 3.959 4.320 -0.158 0.000 0.207 250 K C 2.651 179.119 176.600 -0.220 0.000 1.049 250 K CA 2.837 59.033 56.287 -0.152 0.000 0.931 250 K CB -0.089 32.242 32.500 -0.281 0.000 0.714 250 K HN -0.527 7.771 8.250 0.080 0.000 0.440 251 W N -4.323 117.143 121.300 0.278 0.000 2.942 251 W HA -0.005 4.719 4.660 0.106 0.000 0.263 251 W C 1.407 178.040 176.519 0.189 0.000 1.296 251 W CA 1.205 58.667 57.345 0.195 0.000 1.504 251 W CB 0.792 30.349 29.460 0.162 0.000 1.096 251 W HN -0.675 7.809 8.180 0.507 0.000 0.639 252 W N -3.501 117.968 121.300 0.281 0.000 3.211 252 W HA 0.124 5.069 4.660 0.476 0.000 0.292 252 W C -0.123 176.471 176.519 0.126 0.000 1.268 252 W CA 0.685 58.198 57.345 0.280 0.000 1.702 252 W CB 1.177 30.756 29.460 0.199 0.000 1.092 252 W HN -0.256 8.390 8.180 0.776 0.000 0.643 253 R N 0.846 121.483 120.500 0.228 0.000 2.590 253 R HA -0.148 4.257 4.340 0.108 0.000 0.274 253 R C -0.958 175.367 176.300 0.041 0.000 1.061 253 R CA 1.394 57.554 56.100 0.101 0.000 1.081 253 R CB 0.757 31.081 30.300 0.039 0.000 0.984 253 R HN -0.667 7.732 8.270 0.215 0.000 0.448 257 c N 0.000 118.594 118.600 -0.010 0.000 2.653 257 c HA 0.000 4.563 4.570 -0.011 0.000 0.325 257 c CA 0.000 56.324 56.329 -0.008 0.000 1.963 257 c CB 0.000 42.506 42.510 -0.006 0.000 2.134 257 c HN 0.000 8.227 8.230 -0.004 0.000 0.568